Hi again,
I hope you haven't blocked my emails now ;) I have another set of
problems. This is again the issue of knowing the units of the
correlation time parameters - this time being absent from the v3.1
files. Below is the current diff (with all my changes). The affected
files are:
bmr6838.str
bmr15186.str
bmr15187.str
bmr15188.str
bmr15230.str
bmr15451.str
bmr17010.str
bmr17012.str
bmr17013.str
bmr17046.str
Cheers,
Edward
diff -ur ./bmr15097.str ../bmr3.1_files/bmr15097.str
--- ./bmr15097.str 2011-02-02 14:56:03.000000000 +0100
+++ ../bmr3.1_files/bmr15097.str 2011-02-01 19:41:25.000000000 +0100
@@ -837,10 +837,7 @@
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $D6-HP . 'recombinant technology' 'Escherichia coli' . . .
. . BL21(DE3) . . . . . . . . . . . . . . . pD6-HP . . .
-;
-The construct was cloned from full-length chicken villin cDNA (a gift
of Dr. Paul Matsudaira,
-Whitehead Institute/M.I.T.) into the pET-24a vector (Novagen) using
standard protocols.
-; . . 15097 1
+. . . 15097 1
stop_
@@ -971,10 +968,7 @@
_Vendor.Software_ID
'J. Patrick Loria' .
-;
-http://xbeams.chem.yale.edu/~loria/
-patrick.loria@xxxxxxxx
-; 15097 1
+. 15097 1
stop_
Only in ../bmr3.1_files: bmr15097_trunc.str
diff -ur ./bmr15183.str ../bmr3.1_files/bmr15183.str
--- ./bmr15183.str 2011-02-02 14:56:12.000000000 +0100
+++ ../bmr3.1_files/bmr15183.str 2011-02-01 16:19:19.000000000 +0100
@@ -1675,7 +1675,7 @@
86 . 1 2 94 94 ASP N N . 0.905 0.025 3.14E-11 6.25E-10 . . .
. . . . . . . . . . . . . . . . . . 15183 1
87 . 1 2 95 95 LYS N N . 0.948 0.019 1.77E-11 6.34E-10 . . .
. . . . . . . . . . . . . . . . . . 15183 1
88 . 1 2 96 96 ASP N N . 0.976 0.005 1.00E-09 1.15E-10 . . .
. . . . . . . . . . . . . . . . . . 15183 1
- 89 . 1 2 97 97 ASN N N . 0.986 0.011 5.00E-14 5.73E-10 . . .
. . . . . . . . . . . . . . . . . . 15183 1
+ 89 . 1 2 98 98 ASN N N . 0.986 0.011 5.00E-14 5.73E-10 . . .
. . . . . . . . . . . . . . . . . . 15183 1
90 . 1 2 99 99 GLY N N . 0.967 0.012 1.77E-11 2.90E-10 . . .
. . . . . . . . . . . . . . . . . . 15183 1
91 . 1 2 100 100 TYR N N . 0.901 0.018 9.83E-12 8.12E-11 . . .
. . . . . . . . . . . . . . . . . . 15183 1
92 . 1 2 101 101 ILE N N . 0.976 0.018 1.57E-11 5.03E-11 . . .
. . . . . . . . . . . . . . . . . . 15183 1
@@ -1688,7 +1688,7 @@
99 . 1 2 109 109 VAL N N . 0.939 0.003 9.55E-10 2.78E-11 . . .
. . . . . . . . . . . . . . . . . . 15183 1
100 . 1 2 110 110 MET N N . 0.939 0.01 6.85E-11 2.17E-11 . . .
. . . . . . . . . . . . . . . . . . 15183 1
101 . 1 2 111 111 THR N N . 0.957 0.011 4.31E-11 2.25E-11 . . .
. . . . . . . . . . . . . . . . . . 15183 1
- 102 . 1 2 113 113 ASN N N . 0.962 0.005 1.00E-09 7.97E-11 . . .
. . . . . . . . . . . . . . . . . . 15183 1
+ 102 . 1 2 112 112 ASN N N . 0.962 0.005 1.00E-09 7.97E-11 . . .
. . . . . . . . . . . . . . . . . . 15183 1
103 . 1 2 114 114 GLY N N . 0.948 0.002 1.00E-09 0.00E+00 . . .
. . . . . . . . . . . . . . . . . . 15183 1
104 . 1 2 115 115 GLU N N . 0.768 0.009 4.51E-11 2.55E-12 . . .
. . . . . . . . . . . . . . . . . . 15183 1
105 . 1 2 116 116 LYS N N . 0.844 0.009 3.53E-11 3.11E-12 . . .
. . . . . . . . . . . . . . . . . . 15183 1
@@ -1792,77 +1792,76 @@
_Order_param.Entry_ID
_Order_param.Order_parameter_list_ID
- 1 . 1 2 4 4 LEU CD1 C . 0.341 0.01 4.65E-11 2.08E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 2 . 1 2 4 4 LEU CD2 C . 0.348 0.007 3.21E-11 9.68E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 3 . 1 2 9 9 ILE CD1 C . 0.405 0.006 2.02E-11 6.52E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 4 . 1 2 9 9 ILE CG2 C . 0.708 0.011 2.71E-11 9.01E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 5 . 1 2 10 10 ALA CB C . 0.871 0.016 3.27E-11 9.90E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 6 . 1 2 15 15 ALA CB C . 0.899 0.044 7.73E-11 5.13E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 7 . 1 2 18 18 LEU CD1 C . 0.313 0.006 3.84E-11 1.32E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 8 . 1 2 18 18 LEU CD2 C . 0.299 0.022 5.91E-11 5.10E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 9 . 1 2 27 27 ILE CD1 C . 0.751 0.048 2.58E-11 3.44E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 10 . 1 2 27 27 ILE CG2 C . 0.843 0.034 3.40E-11 2.40E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 11 . 1 2 28 28 THR CG2 C . 0.829 0.027 1.09E-10 5.52E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 12 . 1 2 29 29 THR CG2 C . 0.306 0.005 7.54E-11 1.43E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 13 . 1 2 32 32 LEU CD1 C . 0.666 0.039 4.21E-11 3.86E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 14 . 1 2 32 32 LEU CD2 C . 0.659 0.051 4.90E-11 5.76E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 15 . 1 2 34 34 THR CG2 C . 0.595 0.013 5.66E-11 1.64E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 16 . 1 2 35 35 VAL CG1 C . 0.793 0.028 5.72E-11 2.67E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 17 . 1 2 35 35 VAL CG2 C . 0.744 0.024 2.52E-11 1.67E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 18 . 1 2 36 36 MET CE C . 0.39 0.004 1.01E-11 3.85E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 19 . 1 2 39 39 LEU CD1 C . 0.553 0.027 5.53E-11 4.25E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 20 . 1 2 39 39 LEU CD2 C . 0.595 0.024 2.83E-11 2.06E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 21 . 1 2 44 44 THR CG2 C . 0.369 0.006 5.85E-11 1.27E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 22 . 1 2 46 46 ALA CB C . 0.786 0.011 4.40E-11 1.03E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 23 . 1 2 48 48 LEU CD1 C . 0.68 0.047 5.91E-11 6.06E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 24 . 1 2 51 51 MET CE C . 0.652 0.009 1.14E-11 6.52E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 25 . 1 2 52 52 ILE CD1 C . 0.263 0.006 2.33E-11 1.05E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 26 . 1 2 52 52 ILE CG2 C . 0.786 0.018 4.03E-11 1.46E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 27 . 1 2 55 55 VAL CG1 C . 0.602 0.026 3.77E-11 2.10E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 28 . 1 2 55 55 VAL CG2 C . 0.779 0.03 5.78E-11 3.24E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 29 . 1 2 57 57 ALA CB C . 0.864 0.016 4.28E-11 1.15E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 30 . 1 2 63 63 ILE CD1 C . 0.602 0.029 4.28E-11 3.26E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 31 . 1 2 63 63 ILE CG2 C . 0.786 0.036 2.77E-11 2.40E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 32 . 1 2 69 69 LEU CD1 C . 0.228 0.012 3.33E-11 2.61E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 33 . 1 2 69 69 LEU CD2 C . 0.171 0.009 4.47E-11 2.88E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 34 . 1 2 70 70 THR CG2 C . 0.553 0.008 4.97E-11 1.01E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 35 . 1 2 71 71 MET CE C . 0.39 0.005 2.14E-11 5.86E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 36 . 1 2 72 72 MET CE C . 0.383 0.004 1.33E-11 4.93E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 37 . 1 2 73 73 ALA CB C . 0.864 0.018 3.77E-11 1.30E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 38 . 1 2 76 76 MET CE C . 0.285 0.004 1.33E-11 3.13E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 39 . 1 2 85 85 ILE CD1 C . 0.617 0.014 1.64E-11 1.14E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 40 . 1 2 85 85 ILE CG2 C . 0.8 0.022 2.08E-11 1.34E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 41 . 1 2 91 91 VAL CG2 C . 0.814 0.022 3.15E-11 1.61E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 42 . 1 2 100 100 ILE CD1 C . 0.829 0.048 2.14E-11 2.92E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 43 . 1 2 100 100 ILE CG2 C . 0.836 0.031 3.09E-11 2.06E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 44 . 1 2 102 102 ALA CB C . 0.885 0.022 4.59E-11 1.57E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 45 . 1 2 103 103 ALA CB C . 0.885 0.019 4.34E-11 1.36E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 46 . 1 2 105 105 LEU CD1 C . 0.108 0.004 2.77E-11 6.08E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 47 . 1 2 105 105 LEU CD2 C . 0.186 0.004 3.71E-11 8.78E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 48 . 1 2 108 108 VAL CG1 C . 0.313 0.006 5.28E-11 1.26E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 49 . 1 2 108 108 VAL CG2 C . 0.292 0.004 3.96E-11 8.37E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 50 . 1 2 109 109 MET CE C . 0.595 0.005 1.52E-11 4.21E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 51 . 1 2 110 110 THR CG2 C . 0.433 0.004 5.41E-11 7.01E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 52 . 1 2 112 112 LEU CD1 C . 0.426 0.018 6.53E-11 4.46E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 53 . 1 2 112 112 LEU CD2 C . 0.398 0.012 4.21E-11 2.36E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 54 . 1 2 116 116 LEU CD1 C . 0.518 0.013 9.30E-11 3.29E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 55 . 1 2 116 116 LEU CD2 C . 0.574 0.016 7.73E-11 3.03E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 56 . 1 2 121 121 VAL CG1 C . 0.758 0.016 2.71E-11 1.18E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 57 . 1 2 121 121 VAL CG2 C . 0.779 0.023 2.90E-11 1.51E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 58 . 1 2 124 124 MET CE C . 0.878 0.023 5.12E-12 1.01E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 59 . 1 2 125 125 ILE CD1 C . 0.277 0.005 2.33E-11 8.00E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 60 . 1 2 125 125 ILE CG2 C . 0.843 0.018 2.21E-11 1.02E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 61 . 1 2 128 128 ALA CB C . 0.963 0.045 8.92E-11 5.56E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 62 . 1 2 130 130 ILE CD1 C . 0.32 0.005 2.58E-11 5.77E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 63 . 1 2 130 130 ILE CG2 C . 0.525 0.005 3.71E-11 6.17E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 64 . 1 2 136 136 VAL CG1 C . 0.504 0.013 5.22E-11 2.12E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 65 . 1 2 136 136 VAL CG2 C . 0.546 0.011 5.59E-11 1.96E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 66 . 1 2 142 142 VAL CG1 C . 0.532 0.008 6.22E-11 1.16E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 67 . 1 2 142 142 VAL CG2 C . 0.546 0.009 2.39E-11 8.92E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 68 . 1 2 144 144 MET CE C . 0.504 0.005 1.20E-11 5.46E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 69 . 1 2 145 145 MET CE C . 0.348 0.005 2.02E-11 3.37E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 70 . 1 2 146 146 THR CG2 C . 0.511 0.008 4.97E-11 1.12E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
- 71 . 1 2 147 147 ALA CB C . 0.412 0.005 4.15E-11 4.30E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 1 . 1 2 5 5 LEU CD1 C . 0.341 0.01 4.65E-11 2.08E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 2 . 1 2 5 5 LEU CD2 C . 0.348 0.007 3.21E-11 9.68E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 3 . 1 2 10 10 ILE CD1 C . 0.405 0.006 2.02E-11 6.52E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 4 . 1 2 10 10 ILE CG2 C . 0.708 0.011 2.71E-11 9.01E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 5 . 1 2 11 11 ALA CB C . 0.871 0.016 3.27E-11 9.90E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 6 . 1 2 16 16 ALA CB C . 0.899 0.044 7.73E-11 5.13E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 7 . 1 2 19 19 LEU CD1 C . 0.313 0.006 3.84E-11 1.32E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 8 . 1 2 19 19 LEU CD2 C . 0.299 0.022 5.91E-11 5.10E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 9 . 1 2 28 28 ILE CD1 C . 0.751 0.048 2.58E-11 3.44E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 10 . 1 2 28 28 ILE CG2 C . 0.843 0.034 3.40E-11 2.40E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 11 . 1 2 29 29 THR CG2 C . 0.829 0.027 1.09E-10 5.52E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 12 . 1 2 30 30 THR CG2 C . 0.306 0.005 7.54E-11 1.43E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 13 . 1 2 33 33 LEU CD1 C . 0.666 0.039 4.21E-11 3.86E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 14 . 1 2 33 33 LEU CD2 C . 0.659 0.051 4.90E-11 5.76E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 15 . 1 2 35 35 THR CG2 C . 0.595 0.013 5.66E-11 1.64E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 16 . 1 2 36 36 VAL CG1 C . 0.793 0.028 5.72E-11 2.67E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 17 . 1 2 36 36 VAL CG2 C . 0.744 0.024 2.52E-11 1.67E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 18 . 1 2 37 37 MET CE C . 0.39 0.004 1.01E-11 3.85E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 19 . 1 2 40 40 LEU CD1 C . 0.553 0.027 5.53E-11 4.25E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 20 . 1 2 40 40 LEU CD2 C . 0.595 0.024 2.83E-11 2.06E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 21 . 1 2 45 45 THR CG2 C . 0.369 0.006 5.85E-11 1.27E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 22 . 1 2 47 47 ALA CB C . 0.786 0.011 4.40E-11 1.03E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 23 . 1 2 49 49 LEU CD1 C . 0.68 0.047 5.91E-11 6.06E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 24 . 1 2 52 52 MET CE C . 0.652 0.009 1.14E-11 6.52E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 25 . 1 2 53 53 ILE CD1 C . 0.263 0.006 2.33E-11 1.05E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 26 . 1 2 53 53 ILE CG2 C . 0.786 0.018 4.03E-11 1.46E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 27 . 1 2 56 56 VAL CG1 C . 0.602 0.026 3.77E-11 2.10E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 28 . 1 2 56 56 VAL CG2 C . 0.779 0.03 5.78E-11 3.24E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 29 . 1 2 58 58 ALA CB C . 0.864 0.016 4.28E-11 1.15E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 30 . 1 2 64 64 ILE CD1 C . 0.602 0.029 4.28E-11 3.26E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 31 . 1 2 64 64 ILE CG2 C . 0.786 0.036 2.77E-11 2.40E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 32 . 1 2 70 70 LEU CD1 C . 0.228 0.012 3.33E-11 2.61E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 33 . 1 2 70 70 LEU CD2 C . 0.171 0.009 4.47E-11 2.88E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 34 . 1 2 71 71 THR CG2 C . 0.553 0.008 4.97E-11 1.01E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 35 . 1 2 72 72 MET CE C . 0.39 0.005 2.14E-11 5.86E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 36 . 1 2 73 73 MET CE C . 0.383 0.004 1.33E-11 4.93E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 37 . 1 2 74 74 ALA CB C . 0.864 0.018 3.77E-11 1.30E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 38 . 1 2 77 77 MET CE C . 0.285 0.004 1.33E-11 3.13E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 39 . 1 2 86 86 ILE CD1 C . 0.617 0.014 1.64E-11 1.14E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 40 . 1 2 86 86 ILE CG2 C . 0.8 0.022 2.08E-11 1.34E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 41 . 1 2 92 92 VAL CG2 C . 0.814 0.022 3.15E-11 1.61E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 42 . 1 2 101 101 ILE CD1 C . 0.829 0.048 2.14E-11 2.92E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 43 . 1 2 101 101 ILE CG2 C . 0.836 0.031 3.09E-11 2.06E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 44 . 1 2 103 103 ALA CB C . 0.885 0.022 4.59E-11 1.57E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 45 . 1 2 104 104 ALA CB C . 0.885 0.019 4.34E-11 1.36E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 46 . 1 2 106 106 LEU CD1 C . 0.108 0.004 2.77E-11 6.08E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 47 . 1 2 106 106 LEU CD2 C . 0.186 0.004 3.71E-11 8.78E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 48 . 1 2 109 109 VAL CG1 C . 0.313 0.006 5.28E-11 1.26E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 49 . 1 2 109 109 VAL CG2 C . 0.292 0.004 3.96E-11 8.37E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 50 . 1 2 110 110 MET CE C . 0.595 0.005 1.52E-11 4.21E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 51 . 1 2 111 111 THR CG2 C . 0.433 0.004 5.41E-11 7.01E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 52 . 1 2 113 113 LEU CD1 C . 0.426 0.018 6.53E-11 4.46E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 53 . 1 2 113 113 LEU CD2 C . 0.398 0.012 4.21E-11 2.36E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 54 . 1 2 117 117 LEU CD1 C . 0.518 0.013 9.30E-11 3.29E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 55 . 1 2 117 117 LEU CD2 C . 0.574 0.016 7.73E-11 3.03E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 56 . 1 2 122 122 VAL CG1 C . 0.758 0.016 2.71E-11 1.18E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 57 . 1 2 122 122 VAL CG2 C . 0.779 0.023 2.90E-11 1.51E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 58 . 1 2 125 125 MET CE C . 0.878 0.023 5.12E-12 1.01E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 59 . 1 2 126 126 ILE CD1 C . 0.277 0.005 2.33E-11 8.00E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 60 . 1 2 126 126 ILE CG2 C . 0.843 0.018 2.21E-11 1.02E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 62 . 1 2 131 131 ILE CD1 C . 0.32 0.005 2.58E-11 5.77E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 63 . 1 2 131 131 ILE CG2 C . 0.525 0.005 3.71E-11 6.17E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 64 . 1 2 137 137 VAL CG1 C . 0.504 0.013 5.22E-11 2.12E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 65 . 1 2 137 137 VAL CG2 C . 0.546 0.011 5.59E-11 1.96E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 66 . 1 2 143 143 VAL CG1 C . 0.532 0.008 6.22E-11 1.16E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 67 . 1 2 143 143 VAL CG2 C . 0.546 0.009 2.39E-11 8.92E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 68 . 1 2 145 145 MET CE C . 0.504 0.005 1.20E-11 5.46E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 69 . 1 2 146 146 MET CE C . 0.348 0.005 2.02E-11 3.37E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 70 . 1 2 147 147 THR CG2 C . 0.511 0.008 4.97E-11 1.12E-12 . .
. . . . . . . . . . . . . . . . . . . 15183 2
+ 71 . 1 2 148 148 ALA CB C . 0.412 0.005 4.15E-11 4.30E-13 . .
. . . . . . . . . . . . . . . . . . . 15183 2
stop_
diff -ur ./bmr15186.str ../bmr3.1_files/bmr15186.str
--- ./bmr15186.str 2011-02-02 14:56:22.000000000 +0100
+++ ../bmr3.1_files/bmr15186.str 2011-02-03 17:47:19.000000000 +0100
@@ -1689,8 +1689,9 @@
_Order_parameter_list.ID 2
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units s
+ _Order_parameter_list.Tau_f_val_units s
+ _Order_parameter_list.Tau_s_val_units s
_Order_parameter_list.Details 'NMR derived
side-chain model-free squared generalized order parameters for the
symmetry axis of methyl groups of CaM in complex with smMLCKp
determined with relaxation data obtained at 500 and 600 MHz (1H).'
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr15187.str ../bmr3.1_files/bmr15187.str
--- ./bmr15187.str 2011-02-02 14:56:25.000000000 +0100
+++ ../bmr3.1_files/bmr15187.str 2011-02-03 17:50:16.000000000 +0100
@@ -599,7 +599,7 @@
126 125 ILE . 15187 1
127 126 ARG . 15187 1
128 127 GLU . 15187 1
- 129 128 SER . 15187 1
+ 129 128 ALA . 15187 1
130 129 ASP . 15187 1
131 130 ILE . 15187 1
132 131 ASP . 15187 1
@@ -1420,8 +1420,9 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units s
+ _Order_parameter_list.Tau_f_val_units s
+ _Order_parameter_list.Tau_s_val_units s
_Order_parameter_list.Details
;
NMR derived backbone N-H bond vector model-free squared generalized
order
@@ -1624,8 +1625,9 @@
_Order_parameter_list.ID 2
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units s
+ _Order_parameter_list.Tau_f_val_units s
+ _Order_parameter_list.Tau_s_val_units s
_Order_parameter_list.Details 'NMR derived
side-chain model-free squared generalized order parameters for the
symmetry axis of methyl groups of CaM in complex'
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr15188.str ../bmr3.1_files/bmr15188.str
--- ./bmr15188.str 2011-02-02 14:56:37.000000000 +0100
+++ ../bmr3.1_files/bmr15188.str 2011-02-03 17:47:59.000000000 +0100
@@ -1263,8 +1263,9 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units s
+ _Order_parameter_list.Tau_f_val_units s
+ _Order_parameter_list.Tau_s_val_units s
_Order_parameter_list.Details 'NMR derived
backbone N-H bond vector model-free squared generalized order
parameters for calcium-saturated CaM determined at 500 and 600 MHz
(1H)'
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
@@ -1428,8 +1429,9 @@
_Order_parameter_list.ID 2
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units s
+ _Order_parameter_list.Tau_f_val_units s
+ _Order_parameter_list.Tau_s_val_units s
_Order_parameter_list.Details 'NMR derived
side-chain model-free squared generalized order parameters for the
symmetry axis of methyl groups of calcium-saturated CaM determined
with relaxation data obtained at 500 and 600 MHz (1H).'
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr15230.str ../bmr3.1_files/bmr15230.str
--- ./bmr15230.str 2011-02-02 14:57:31.000000000 +0100
+++ ../bmr3.1_files/bmr15230.str 2011-02-03 17:48:15.000000000 +0100
@@ -5165,8 +5165,9 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units s
+ _Order_parameter_list.Tau_f_val_units s
+ _Order_parameter_list.Tau_s_val_units s
_Order_parameter_list.Details 'Model-free
analysis (anisotropic model of internal motion) in Tensor2 (Dosset et
al., 2000)'
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr15451.str ../bmr3.1_files/bmr15451.str
--- ./bmr15451.str 2010-09-05 05:55:42.000000000 +0200
+++ ../bmr3.1_files/bmr15451.str 2011-02-03 17:48:49.000000000 +0100
@@ -3233,8 +3233,9 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units s
+ _Order_parameter_list.Tau_f_val_units s
+ _Order_parameter_list.Tau_s_val_units s
_Order_parameter_list.Details .
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr15562.str ../bmr3.1_files/bmr15562.str
--- ./bmr15562.str 2011-02-02 14:57:31.000000000 +0100
+++ ../bmr3.1_files/bmr15562.str 2011-02-01 20:35:13.000000000 +0100
@@ -726,10 +726,7 @@
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $N116 . 4932 organism . 'SACCHAROMYCES CEREVISIAE' . . .
Eukaryota Fungi SACCHAROMYCES CEREVISIAE S288C . . . . . . . . . . . .
. . . YMR074C .
-;
-Ymr074cp (1-116);
-Residues 117-127 represent a his tag
-; . . 15562 1
+. . . 15562 1
stop_
Only in .: bmr15910.str
diff -ur ./bmr16925.str ../bmr3.1_files/bmr16925.str
--- ./bmr16925.str 2011-02-02 14:57:31.000000000 +0100
+++ ../bmr3.1_files/bmr16925.str 2011-02-03 17:35:27.000000000 +0100
@@ -2213,7 +2213,6 @@
58 . 1 1 68 68 VAL N N 15 0.8728 0.0038 1.05E-11
6.4E-12 . . . . . . . 4 . . . . . . . . . . 68 VAL
N 16925 1
59 . 1 1 69 69 GLY N N 15 0.901 0.0046 .
. . . . . . . . 1 . . . . . . . . . . 69 GLY
N 16925 1
60 . 1 1 71 71 ARG N N 15 0.8909 0.0047 .
. . . . . . . . 1 . . . . . . . . . . 71 ARG
N 16925 1
- 61 . 1 1 72 72 ALA N N 15 87.25 1.000198836
0.000000174 0.000000165 . . . . . . . 5 . . . . . . . . . . 72
ALA N 16925 1
62 . 1 1 73 73 LYS N N 15 0.8456 0.0036 .
. . . . . . . . 3 . . . . . . . . . . 73 LYS
N 16925 1
63 . 1 1 74 74 LEU N N 15 0.8617 0.0048 1.58E-11
7.89E-12 . . . . . . . 2 . . . . . . . . . . 74 LEU
N 16925 1
64 . 1 1 75 75 THR N N 15 0.8286 0.0037 .
. . . . . . . . 3 . . . . . . . . . . 75 THR
N 16925 1
diff -ur ./bmr17010.str ../bmr3.1_files/bmr17010.str
--- ./bmr17010.str 2011-02-02 14:57:32.000000000 +0100
+++ ../bmr3.1_files/bmr17010.str 2011-02-03 15:22:30.000000000 +0100
@@ -2170,8 +2170,9 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units ps
+ _Order_parameter_list.Tau_f_val_units ps
+ _Order_parameter_list.Tau_s_val_units ps
_Order_parameter_list.Details .
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr17012.str ../bmr3.1_files/bmr17012.str
--- ./bmr17012.str 2011-02-02 14:57:32.000000000 +0100
+++ ../bmr3.1_files/bmr17012.str 2011-02-03 15:23:40.000000000 +0100
@@ -1766,8 +1766,9 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units ps
+ _Order_parameter_list.Tau_f_val_units ps
+ _Order_parameter_list.Tau_s_val_units ps
_Order_parameter_list.Details .
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr17013.str ../bmr3.1_files/bmr17013.str
--- ./bmr17013.str 2011-02-02 14:57:32.000000000 +0100
+++ ../bmr3.1_files/bmr17013.str 2011-02-03 17:44:25.000000000 +0100
@@ -2236,8 +2236,8 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units ps
+ _Order_parameter_list.Tau_s_val_units ps
_Order_parameter_list.Details .
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
diff -ur ./bmr17041.str ../bmr3.1_files/bmr17041.str
--- ./bmr17041.str 2011-02-02 14:57:32.000000000 +0100
+++ ../bmr3.1_files/bmr17041.str 2011-02-01 21:41:27.000000000 +0100
@@ -453,118 +453,113 @@
_Entity_comp_index.Entity_ID
1 . HIS . 17041 1
- 2 . HIS . 17041 1
- 3 . HIS . 17041 1
- 4 . HIS . 17041 1
- 5 . HIS . 17041 1
- 6 . HIS . 17041 1
- 7 . ALA . 17041 1
- 8 . GLN . 17041 1
- 9 . GLN . 17041 1
- 10 . SER . 17041 1
- 11 . PRO . 17041 1
- 12 . TYR . 17041 1
- 13 . SER . 17041 1
- 14 . ALA . 17041 1
- 15 . ALA . 17041 1
- 16 . MET . 17041 1
- 17 . ALA . 17041 1
+ 2 . ALA . 17041 1
+ 3 . GLN . 17041 1
+ 4 . GLN . 17041 1
+ 5 . SER . 17041 1
+ 6 . PRO . 17041 1
+ 7 . TYR . 17041 1
+ 8 . SER . 17041 1
+ 9 . ALA . 17041 1
+ 10 . ALA . 17041 1
+ 11 . MET . 17041 1
+ 12 . ALA . 17041 1
+ 13 . GLU . 17041 1
+ 14 . GLN . 17041 1
+ 15 . ARG . 17041 1
+ 16 . HIS . 17041 1
+ 17 . GLN . 17041 1
18 . GLU . 17041 1
- 19 . GLN . 17041 1
- 20 . ARG . 17041 1
- 21 . HIS . 17041 1
- 22 . GLN . 17041 1
- 23 . GLU . 17041 1
- 24 . TRP . 17041 1
+ 19 . TRP . 17041 1
+ 20 . LEU . 17041 1
+ 21 . ARG . 17041 1
+ 22 . PHE . 17041 1
+ 23 . VAL . 17041 1
+ 24 . ASP . 17041 1
25 . LEU . 17041 1
- 26 . ARG . 17041 1
- 27 . PHE . 17041 1
- 28 . VAL . 17041 1
- 29 . ASP . 17041 1
- 30 . LEU . 17041 1
- 31 . LEU . 17041 1
- 32 . LYS . 17041 1
- 33 . ASN . 17041 1
- 34 . ALA . 17041 1
- 35 . TYR . 17041 1
- 36 . GLN . 17041 1
- 37 . ASN . 17041 1
- 38 . ASP . 17041 1
+ 26 . LEU . 17041 1
+ 27 . LYS . 17041 1
+ 28 . ASN . 17041 1
+ 29 . ALA . 17041 1
+ 30 . TYR . 17041 1
+ 31 . GLN . 17041 1
+ 32 . ASN . 17041 1
+ 33 . ASP . 17041 1
+ 34 . LEU . 17041 1
+ 35 . HIS . 17041 1
+ 36 . LEU . 17041 1
+ 37 . PRO . 17041 1
+ 38 . LEU . 17041 1
39 . LEU . 17041 1
- 40 . HIS . 17041 1
+ 40 . ASN . 17041 1
41 . LEU . 17041 1
- 42 . PRO . 17041 1
+ 42 . MET . 17041 1
43 . LEU . 17041 1
- 44 . LEU . 17041 1
- 45 . ASN . 17041 1
- 46 . LEU . 17041 1
- 47 . MET . 17041 1
- 48 . LEU . 17041 1
- 49 . THR . 17041 1
- 50 . PRO . 17041 1
- 51 . ASP . 17041 1
- 52 . GLU . 17041 1
- 53 . ARG . 17041 1
- 54 . GLU . 17041 1
- 55 . ALA . 17041 1
- 56 . LEU . 17041 1
- 57 . GLY . 17041 1
- 58 . THR . 17041 1
- 59 . ARG . 17041 1
- 60 . VAL . 17041 1
- 61 . ARG . 17041 1
- 62 . ILE . 17041 1
- 63 . VAL . 17041 1
- 64 . GLU . 17041 1
+ 44 . THR . 17041 1
+ 45 . PRO . 17041 1
+ 46 . ASP . 17041 1
+ 47 . GLU . 17041 1
+ 48 . ARG . 17041 1
+ 49 . GLU . 17041 1
+ 50 . ALA . 17041 1
+ 51 . LEU . 17041 1
+ 52 . GLY . 17041 1
+ 53 . THR . 17041 1
+ 54 . ARG . 17041 1
+ 55 . VAL . 17041 1
+ 56 . ARG . 17041 1
+ 57 . ILE . 17041 1
+ 58 . VAL . 17041 1
+ 59 . GLU . 17041 1
+ 60 . GLU . 17041 1
+ 61 . LEU . 17041 1
+ 62 . LEU . 17041 1
+ 63 . ARG . 17041 1
+ 64 . GLY . 17041 1
65 . GLU . 17041 1
- 66 . LEU . 17041 1
- 67 . LEU . 17041 1
- 68 . ARG . 17041 1
- 69 . GLY . 17041 1
+ 66 . MET . 17041 1
+ 67 . SER . 17041 1
+ 68 . GLN . 17041 1
+ 69 . ARG . 17041 1
70 . GLU . 17041 1
- 71 . MET . 17041 1
- 72 . SER . 17041 1
- 73 . GLN . 17041 1
- 74 . ARG . 17041 1
- 75 . GLU . 17041 1
- 76 . LEU . 17041 1
- 77 . LYS . 17041 1
- 78 . ASN . 17041 1
- 79 . GLU . 17041 1
- 80 . LEU . 17041 1
- 81 . GLY . 17041 1
- 82 . ALA . 17041 1
- 83 . GLY . 17041 1
- 84 . ILE . 17041 1
- 85 . ALA . 17041 1
- 86 . THR . 17041 1
- 87 . ILE . 17041 1
- 88 . THR . 17041 1
- 89 . ARG . 17041 1
- 90 . GLY . 17041 1
- 91 . SER . 17041 1
- 92 . ASN . 17041 1
- 93 . SER . 17041 1
- 94 . LEU . 17041 1
- 95 . LYS . 17041 1
- 96 . ALA . 17041 1
- 97 . ALA . 17041 1
- 98 . PRO . 17041 1
- 99 . VAL . 17041 1
- 100 . GLU . 17041 1
- 101 . LEU . 17041 1
- 102 . ARG . 17041 1
- 103 . GLN . 17041 1
- 104 . TRP . 17041 1
+ 71 . LEU . 17041 1
+ 72 . LYS . 17041 1
+ 73 . ASN . 17041 1
+ 74 . GLU . 17041 1
+ 75 . LEU . 17041 1
+ 76 . GLY . 17041 1
+ 77 . ALA . 17041 1
+ 78 . GLY . 17041 1
+ 79 . ILE . 17041 1
+ 80 . ALA . 17041 1
+ 81 . THR . 17041 1
+ 82 . ILE . 17041 1
+ 83 . THR . 17041 1
+ 84 . ARG . 17041 1
+ 85 . GLY . 17041 1
+ 86 . SER . 17041 1
+ 87 . ASN . 17041 1
+ 88 . SER . 17041 1
+ 89 . LEU . 17041 1
+ 90 . LYS . 17041 1
+ 91 . ALA . 17041 1
+ 92 . ALA . 17041 1
+ 93 . PRO . 17041 1
+ 94 . VAL . 17041 1
+ 95 . GLU . 17041 1
+ 96 . LEU . 17041 1
+ 97 . ARG . 17041 1
+ 98 . GLN . 17041 1
+ 99 . TRP . 17041 1
+ 100 . LEU . 17041 1
+ 101 . GLU . 17041 1
+ 102 . GLU . 17041 1
+ 103 . VAL . 17041 1
+ 104 . LEU . 17041 1
105 . LEU . 17041 1
- 106 . GLU . 17041 1
- 107 . GLU . 17041 1
- 108 . VAL . 17041 1
- 109 . LEU . 17041 1
- 110 . LEU . 17041 1
- 111 . LYS . 17041 1
- 112 . SER . 17041 1
- 113 . ASP . 17041 1
+ 106 . LYS . 17041 1
+ 107 . SER . 17041 1
+ 108 . ASP . 17041 1
stop_
diff -ur ./bmr17046.str ../bmr3.1_files/bmr17046.str
--- ./bmr17046.str 2011-02-02 14:57:32.000000000 +0100
+++ ../bmr3.1_files/bmr17046.str 2011-02-01 20:19:57.000000000 +0100
@@ -453,118 +453,113 @@
_Entity_comp_index.Entity_ID
1 . HIS . 17046 1
- 2 . HIS . 17046 1
- 3 . HIS . 17046 1
- 4 . HIS . 17046 1
- 5 . HIS . 17046 1
- 6 . HIS . 17046 1
- 7 . ALA . 17046 1
- 8 . GLN . 17046 1
- 9 . GLN . 17046 1
- 10 . SER . 17046 1
- 11 . PRO . 17046 1
- 12 . TYR . 17046 1
- 13 . SER . 17046 1
- 14 . ALA . 17046 1
- 15 . ALA . 17046 1
- 16 . MET . 17046 1
- 17 . ALA . 17046 1
+ 2 . ALA . 17046 1
+ 3 . GLN . 17046 1
+ 4 . GLN . 17046 1
+ 5 . SER . 17046 1
+ 6 . PRO . 17046 1
+ 7 . TYR . 17046 1
+ 8 . SER . 17046 1
+ 9 . ALA . 17046 1
+ 10 . ALA . 17046 1
+ 11 . MET . 17046 1
+ 12 . ALA . 17046 1
+ 13 . GLU . 17046 1
+ 14 . GLN . 17046 1
+ 15 . ARG . 17046 1
+ 16 . HIS . 17046 1
+ 17 . GLN . 17046 1
18 . GLU . 17046 1
- 19 . GLN . 17046 1
- 20 . ARG . 17046 1
- 21 . HIS . 17046 1
- 22 . GLN . 17046 1
- 23 . GLU . 17046 1
- 24 . TRP . 17046 1
+ 19 . TRP . 17046 1
+ 20 . LEU . 17046 1
+ 21 . ARG . 17046 1
+ 22 . PHE . 17046 1
+ 23 . VAL . 17046 1
+ 24 . ASP . 17046 1
25 . LEU . 17046 1
- 26 . ARG . 17046 1
- 27 . PHE . 17046 1
- 28 . VAL . 17046 1
- 29 . ASP . 17046 1
- 30 . LEU . 17046 1
- 31 . LEU . 17046 1
- 32 . LYS . 17046 1
- 33 . ASN . 17046 1
- 34 . ALA . 17046 1
- 35 . TYR . 17046 1
- 36 . GLN . 17046 1
- 37 . ASN . 17046 1
- 38 . ASP . 17046 1
+ 26 . LEU . 17046 1
+ 27 . LYS . 17046 1
+ 28 . ASN . 17046 1
+ 29 . ALA . 17046 1
+ 30 . TYR . 17046 1
+ 31 . GLN . 17046 1
+ 32 . ASN . 17046 1
+ 33 . ASP . 17046 1
+ 34 . LEU . 17046 1
+ 35 . HIS . 17046 1
+ 36 . LEU . 17046 1
+ 37 . PRO . 17046 1
+ 38 . LEU . 17046 1
39 . LEU . 17046 1
- 40 . HIS . 17046 1
+ 40 . ASN . 17046 1
41 . LEU . 17046 1
- 42 . PRO . 17046 1
+ 42 . MET . 17046 1
43 . LEU . 17046 1
- 44 . LEU . 17046 1
- 45 . ASN . 17046 1
- 46 . LEU . 17046 1
- 47 . MET . 17046 1
- 48 . LEU . 17046 1
- 49 . THR . 17046 1
- 50 . PRO . 17046 1
- 51 . ASP . 17046 1
- 52 . GLU . 17046 1
- 53 . ARG . 17046 1
- 54 . GLU . 17046 1
- 55 . ALA . 17046 1
- 56 . LEU . 17046 1
- 57 . GLY . 17046 1
- 58 . THR . 17046 1
- 59 . ARG . 17046 1
- 60 . VAL . 17046 1
- 61 . ARG . 17046 1
- 62 . ILE . 17046 1
- 63 . VAL . 17046 1
- 64 . GLU . 17046 1
+ 44 . THR . 17046 1
+ 45 . PRO . 17046 1
+ 46 . ASP . 17046 1
+ 47 . GLU . 17046 1
+ 48 . ARG . 17046 1
+ 49 . GLU . 17046 1
+ 50 . ALA . 17046 1
+ 51 . LEU . 17046 1
+ 52 . GLY . 17046 1
+ 53 . THR . 17046 1
+ 54 . ARG . 17046 1
+ 55 . VAL . 17046 1
+ 56 . ARG . 17046 1
+ 57 . ILE . 17046 1
+ 58 . VAL . 17046 1
+ 59 . GLU . 17046 1
+ 60 . GLU . 17046 1
+ 61 . LEU . 17046 1
+ 62 . LEU . 17046 1
+ 63 . ARG . 17046 1
+ 64 . GLY . 17046 1
65 . GLU . 17046 1
- 66 . LEU . 17046 1
- 67 . LEU . 17046 1
- 68 . ARG . 17046 1
- 69 . GLY . 17046 1
+ 66 . MET . 17046 1
+ 67 . SER . 17046 1
+ 68 . GLN . 17046 1
+ 69 . ARG . 17046 1
70 . GLU . 17046 1
- 71 . MET . 17046 1
- 72 . SER . 17046 1
- 73 . GLN . 17046 1
- 74 . ARG . 17046 1
- 75 . GLU . 17046 1
- 76 . LEU . 17046 1
- 77 . LYS . 17046 1
- 78 . ASN . 17046 1
- 79 . GLU . 17046 1
- 80 . PHE . 17046 1
- 81 . GLY . 17046 1
- 82 . ALA . 17046 1
- 83 . GLY . 17046 1
- 84 . ILE . 17046 1
- 85 . ALA . 17046 1
- 86 . THR . 17046 1
- 87 . ILE . 17046 1
- 88 . THR . 17046 1
- 89 . ARG . 17046 1
- 90 . GLY . 17046 1
- 91 . SER . 17046 1
- 92 . ASN . 17046 1
- 93 . SER . 17046 1
- 94 . LEU . 17046 1
- 95 . LYS . 17046 1
- 96 . ALA . 17046 1
- 97 . ALA . 17046 1
- 98 . PRO . 17046 1
- 99 . VAL . 17046 1
- 100 . GLU . 17046 1
- 101 . LEU . 17046 1
- 102 . ARG . 17046 1
- 103 . GLN . 17046 1
- 104 . TRP . 17046 1
+ 71 . LEU . 17046 1
+ 72 . LYS . 17046 1
+ 73 . ASN . 17046 1
+ 74 . GLU . 17046 1
+ 75 . PHE . 17046 1
+ 76 . GLY . 17046 1
+ 77 . ALA . 17046 1
+ 78 . GLY . 17046 1
+ 79 . ILE . 17046 1
+ 80 . ALA . 17046 1
+ 81 . THR . 17046 1
+ 82 . ILE . 17046 1
+ 83 . THR . 17046 1
+ 84 . ARG . 17046 1
+ 85 . GLY . 17046 1
+ 86 . SER . 17046 1
+ 87 . ASN . 17046 1
+ 88 . SER . 17046 1
+ 89 . LEU . 17046 1
+ 90 . LYS . 17046 1
+ 91 . ALA . 17046 1
+ 92 . ALA . 17046 1
+ 93 . PRO . 17046 1
+ 94 . VAL . 17046 1
+ 95 . GLU . 17046 1
+ 96 . LEU . 17046 1
+ 97 . ARG . 17046 1
+ 98 . GLN . 17046 1
+ 99 . TRP . 17046 1
+ 100 . LEU . 17046 1
+ 101 . GLU . 17046 1
+ 102 . GLU . 17046 1
+ 103 . VAL . 17046 1
+ 104 . LEU . 17046 1
105 . LEU . 17046 1
- 106 . GLU . 17046 1
- 107 . GLU . 17046 1
- 108 . VAL . 17046 1
- 109 . LEU . 17046 1
- 110 . LEU . 17046 1
- 111 . LYS . 17046 1
- 112 . SER . 17046 1
- 113 . ASP . 17046 1
+ 106 . LYS . 17046 1
+ 107 . SER . 17046 1
+ 108 . ASP . 17046 1
stop_
@@ -2623,7 +2618,7 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
- _Order_parameter_list.Tau_e_val_units ns
+ _Order_parameter_list.Tau_e_val_units ps
_Order_parameter_list.Tau_s_val_units .
_Order_parameter_list.Details .
_Order_parameter_list.Text_data_format .
diff -ur ./bmr6838.str ../bmr3.1_files/bmr6838.str
--- ./bmr6838.str 2011-02-02 14:57:32.000000000 +0100
+++ ../bmr3.1_files/bmr6838.str 2011-02-01 17:34:13.000000000 +0100
@@ -7809,8 +7809,9 @@
_Order_parameter_list.ID 1
_Order_parameter_list.Sample_condition_list_ID 2
_Order_parameter_list.Sample_condition_list_label $conditions_2
- _Order_parameter_list.Tau_e_val_units .
- _Order_parameter_list.Tau_s_val_units .
+ _Order_parameter_list.Tau_e_val_units ps
+ _Order_parameter_list.Tau_f_val_units ps
+ _Order_parameter_list.Tau_s_val_units ps
_Order_parameter_list.Details
;
The Rex values and errors provided are scaled for a 600 MHz field.
@@ -7854,14 +7855,14 @@
_Order_param.Tau_f_val_fit_err
_Order_param.Tau_s_val
_Order_param.Tau_s_val_fit_err
- _Order_param.Rex_val
- _Order_param.Rex_val_fit_err
_Order_param.Model_free_sum_squared_errs
_Order_param.Model_fit
_Order_param.Sf2_val
_Order_param.Sf2_val_fit_err
_Order_param.Ss2_val
_Order_param.Ss2_val_fit_err
+ _Order_param.Rex_val
+ _Order_param.Rex_val_fit_err
_Order_param.SH2_val
_Order_param.SH2_val_fit_err
_Order_param.SN2_val
Re: Inconsistencies in the v2.1 (or v2.1.1) BMRB model-free entries.