Hi Eldon,
Here is the second message following on from
https://mail.gna.org/public/relax-devel/2011-02/msg00044.html. Below
is the diff for the v2.1 files. How will such entries be fixed? Do
they first have to be converted to the v3.x format in the database and
then fixed? Note that there are a number of fixes for the
heteronuclear T1, T2, and NOE saveframes in these diffs as well. For
example the units are plainly wrong in a number of entries, ie 'ms'
instead of 's', or 's-1' instead of 's'. If I can help in any way,
i.e. checking new entries, please say. The bmrblib library is very
powerful for reading and writing to the BMRB and is very easy to
extend to all past, present and future BMRB saveframes and tags
(http://gna.org/projects/bmrblib/).
Cheers,
Edward
P. S. I have only checked the BMRB entries with model-free data, but
there are many others with relaxation data that could also be checked.
Here is the diff:
Only in .: bmr15097.str
Only in .: bmr15144.str
Only in .: bmr15183.str
Only in .: bmr15184.str
Only in .: bmr15185.str
Only in .: bmr15186.str
Only in .: bmr15187.str
Only in .: bmr15188.str
Only in .: bmr15191.str
Only in .: bmr15230.str
Only in .: bmr15445.str
Only in .: bmr15451.str
Only in .: bmr15536.str
Only in .: bmr15562.str
diff -ur ./bmr15910.str ../bmr2.1_files/bmr15910.str
--- ./bmr15910.str 2011-01-28 07:51:08.000000000 +0100
+++ ../bmr2.1_files/bmr15910.str 2011-02-01 14:20:26.000000000 +0100
@@ -1706,124 +1706,124 @@
_S2N_value
_S2N_value_fit_error
- . MET N 5 0.218 0.016 . . 0.762 0.013 0.286 0.021
925.50 33.63 . . . .
- . GLY N 5 0.453 0.010 . . 0.779 0.008 0.582 0.015
1367.45 66.47 . . . .
- . ARG N 6 0.556 0.028 . . 0.752 0.017 0.740 0.029
8222.98 2489.86 . . . .
- . PHE N 4 0.739 0.011 22.80 5.12 . . . . .
. . . . .
- . THR N 3 0.808 0.011 . . . . . . .
. . . . .
- . GLU N 1 0.879 0.007 . . . . . . .
. . . . .
- . ARG N 3 0.869 0.013 . . . . . . .
. . . . .
- . ALA N 3 0.863 0.011 . . . . . . .
. . . . .
- . GLN N 3 0.848 0.014 . . . . . . .
. . . . .
- . LYS N 1 0.894 0.017 . . . . . . .
. . . . .
- . VAL N 3 0.858 0.012 . . . . . . .
. . . . .
- . LEU N 3 0.887 0.014 . . . . . . .
. . . . .
- . ALA N 1 0.878 0.008 . . . . . . .
. . . . .
- . LEU N 1 0.875 0.009 . . . . . . .
. . . . .
- . ALA N 1 0.879 0.005 . . . . . . .
. . . . .
- . GLN N 3 0.826 0.009 . . . . . . .
. . . . .
- . GLU N 1 0.876 0.009 . . . . . . .
. . . . .
- . GLU N 3 0.868 0.012 . . . . . . .
. . . . .
- . ALA N 3 0.848 0.008 . . . . . . .
. . . . .
- . LEU N 3 0.840 0.011 . . . . . . .
. . . . .
- . ARG N 3 0.872 0.009 . . . . . . .
. . . . .
- . LEU N 3 0.851 0.011 . . . . . . .
. . . . .
- . GLY N 3 0.823 0.010 . . . . . . .
. . . . .
- . HIS N 3 0.844 0.010 . . . . . . .
. . . . .
- . ASN N 2 0.826 0.014 24.99 12.31 . . . . .
. . . . .
- . ASN N 7 0.577 0.168 . . 0.730 0.073 0.789 0.196
2553.48 2011.96 . . . .
- . ILE N 3 0.782 0.013 . . . . . . .
. . . . .
- . GLY N 3 0.803 0.019 . . . . . . .
. . . . .
- . GLU N 3 0.832 0.012 . . . . . . .
. . . . .
- . HIS N 3 0.863 0.014 . . . . . . .
. . . . .
- . LEU N 3 0.848 0.013 . . . . . . .
. . . . .
- . LEU N 3 0.840 0.011 . . . . . . .
. . . . .
- . GLY N 3 0.850 0.010 . . . . . . .
. . . . .
- . LEU N 3 0.844 0.010 . . . . . . .
. . . . .
- . VAL N 3 0.836 0.012 . . . . . . .
. . . . .
- . ARG N 1 0.830 0.006 . . . . . . .
. . . . .
- . GLU N 3 0.827 0.010 . . . . . . .
. . . . .
- . GLY N 3 0.793 0.020 . . . . . . .
. . . . .
- . GLY N 3 0.853 0.025 . . . . . . .
. . . . .
- . ILE N 3 0.843 0.018 . . . . . . .
. . . . .
- . ALA N 3 0.854 0.012 . . . . . . .
. . . . .
- . ALA N 3 0.782 0.009 . . . . . . .
. . . . .
- . ALA N 3 0.833 0.010 . . . . . . .
. . . . .
- . ALA N 4 0.805 0.011 13.45 6.85 . . . . .
. . . . .
- . LEU N 4 0.768 0.013 10.06 6.12 . . . . .
. . . . .
- . GLY N 3 0.815 0.010 . . . . . . .
. . . . .
- . GLY N 4 0.523 0.007 32.28 1.74 . . . . .
. . . . .
- . SER N 4 0.804 0.009 19.67 7.16 . . . . .
. . . . .
- . GLU N 3 0.823 0.009 . . . . . . .
. . . . .
- . LYS N 1 0.821 0.009 . . . . . . .
. . . . .
- . ILE N 3 0.834 0.011 . . . . . . .
. . . . .
- . GLN N 3 0.855 0.011 . . . . . . .
. . . . .
- . GLU N 1 0.871 0.010 . . . . . . .
. . . . .
- . VAL N 3 0.842 0.010 . . . . . . .
. . . . .
- . GLU N 3 0.845 0.011 . . . . . . .
. . . . .
- . SER N 4 0.828 0.009 18.21 6.33 . . . . .
. . . . .
- . LEU N 3 0.818 0.011 . . . . . . .
. . . . .
- . ILE N 4 0.768 0.012 24.35 9.48 . . . . .
. . . . .
- . GLY N 5 0.698 0.015 . . 0.799 0.007 0.874 0.019
1137.56 184.49 . . . .
- . ARG N 8 0.469 0.103 . . 0.630 0.038 0.744 0.123
6335.33 2296.42 . . . .
- . GLY N 5 0.644 0.015 . . 0.791 0.008 0.814 0.015
624.91 102.95 . . . .
- . GLN N 6 0.415 0.013 . . 0.676 0.032 0.614 0.021
2203.72 588.46 . . . .
- . MET N 6 0.338 0.012 . . 0.702 0.024 0.481 0.019
1742.14 209.39 . . . .
- . SER N 8 0.234 0.124 . . 0.558 0.041 0.420 0.196
4730.12 1806.42 . . . .
- . THR N 6 0.591 0.023 . . 0.674 0.024 0.876 0.026
3821.93 2436.56 . . . .
- . ILE N 7 0.543 0.079 . . 0.756 0.023 0.719 0.086
1447.04 455.41 . . . .
- . HIS N 7 0.616 0.136 . . 0.771 0.064 0.800 0.136
2118.46 1385.90 . . . .
- . TYR N 3 0.778 0.015 . . . . . . .
. . . . .
- . THR N 3 0.814 0.015 . . . . . . .
. . . . .
- . ARG N 3 0.862 0.025 . . . . . . .
. . . . .
- . ALA N 1 0.883 0.011 . . . . . . .
. . . . .
- . LYS N 7 0.335 0.227 . . 0.704 0.066 0.476 0.282
6244.59 2226.06 . . . .
- . LYS N 1 0.885 0.018 . . . . . . .
. . . . .
- . VAL N 3 0.866 0.010 . . . . . . .
. . . . .
- . ILE N 1 0.891 0.009 . . . . . . .
. . . . .
- . GLU N 1 0.891 0.007 . . . . . . .
. . . . .
- . LEU N 1 0.884 0.013 . . . . . . .
. . . . .
- . SER N 4 0.881 0.015 24.67 13.66 . . . . .
. . . . .
- . MET N 1 0.882 0.009 . . . . . . .
. . . . .
- . ASP N 3 0.848 0.010 . . . . . . .
. . . . .
- . GLU N 3 0.831 0.013 . . . . . . .
. . . . .
- . ALA N 1 0.872 0.008 . . . . . . .
. . . . .
- . ARG N 3 0.849 0.012 . . . . . . .
. . . . .
- . GLY N 3 0.817 0.012 . . . . . . .
. . . . .
- . HIS N 4 0.781 0.011 15.80 6.15 . . . . .
. . . . .
- . SER N 3 0.743 0.044 . . . . . . .
. . . . .
- . TYR N 7 0.640 0.076 . . 0.756 0.027 0.847 0.077
2423.54 767.23 . . . .
- . VAL N 4 0.800 0.017 18.48 12.66 . . . . .
. . . . .
- . GLY N 3 0.808 0.024 . . . . . . .
. . . . .
- . GLU N 3 0.815 0.013 . . . . . . .
. . . . .
- . HIS N 3 0.876 0.015 . . . . . . .
. . . . .
- . ILE N 3 0.841 0.014 . . . . . . .
. . . . .
- . LEU N 3 0.859 0.012 . . . . . . .
. . . . .
- . LEU N 3 0.845 0.020 . . . . . . .
. . . . .
- . GLY N 3 0.860 0.011 . . . . . . .
. . . . .
- . LEU N 3 0.860 0.017 . . . . . . .
. . . . .
- . GLU N 3 0.872 0.015 . . . . . . .
. . . . .
- . GLY N 3 0.830 0.011 . . . . . . .
. . . . .
- . GLY N 3 0.870 0.050 . . . . . . .
. . . . .
- . VAL N 3 0.830 0.023 . . . . . . .
. . . . .
- . ALA N 3 0.837 0.013 . . . . . . .
. . . . .
- . ARG N 3 0.828 0.011 . . . . . . .
. . . . .
- . ASN N 3 0.831 0.010 . . . . . . .
. . . . .
- . ASN N 3 0.813 0.010 . . . . . . .
. . . . .
- . LEU N 3 0.791 0.013 . . . . . . .
. . . . .
- . VAL N 3 0.814 0.009 . . . . . . .
. . . . .
- . SER N 7 0.487 0.149 . . 0.654 0.084 0.745 0.184
2963.99 1765.98 . . . .
- . LEU N 1 0.868 0.009 . . . . . . .
. . . . .
- . ASN N 3 0.830 0.011 . . . . . . .
. . . . .
- . LYS N 1 0.864 0.013 . . . . . . .
. . . . .
- . ARG N 3 0.848 0.011 . . . . . . .
. . . . .
- . GLN N 3 0.861 0.012 . . . . . . .
. . . . .
- . VAL N 4 0.840 0.010 21.23 11.35 . . . . .
. . . . .
- . LEU N 3 0.838 0.013 . . . . . . .
. . . . .
- . LEU N 4 0.810 0.014 13.64 6.81 . . . . .
. . . . .
- . LEU N 4 0.751 0.011 27.27 5.72 . . . . .
. . . . .
- . SER N 6 0.103 0.026 . . 0.483 0.006 0.213 0.053
6366.45 941.85 . . . .
- . ASN N 6 0.037 0.006 . . 0.282 0.011 0.130 0.018
1532.60 97.50 . . . .
+ 3 MET N 5 0.218 0.016 . . 0.762 0.013 0.286 0.021
925.50 33.63 . . . .
+ 5 GLY N 5 0.453 0.010 . . 0.779 0.008 0.582 0.015
1367.45 66.47 . . . .
+ 6 ARG N 6 0.556 0.028 . . 0.752 0.017 0.740 0.029
8222.98 2489.86 . . . .
+ 7 PHE N 4 0.739 0.011 22.80 5.12 . . . .
. . . . . .
+ 8 THR N 3 0.808 0.011 . . . . . .
. . . . . .
+ 9 GLU N 1 0.879 0.007 . . . . . .
. . . . . .
+ 10 ARG N 3 0.869 0.013 . . . . . .
. . . . . .
+ 11 ALA N 3 0.863 0.011 . . . . . .
. . . . . .
+ 12 GLN N 3 0.848 0.014 . . . . . .
. . . . . .
+ 13 LYS N 1 0.894 0.017 . . . . . .
. . . . . .
+ 14 VAL N 3 0.858 0.012 . . . . . .
. . . . . .
+ 15 LEU N 3 0.887 0.014 . . . . . .
. . . . . .
+ 16 ALA N 1 0.878 0.008 . . . . . .
. . . . . .
+ 17 LEU N 1 0.875 0.009 . . . . . .
. . . . . .
+ 18 ALA N 1 0.879 0.005 . . . . . .
. . . . . .
+ 19 GLN N 3 0.826 0.009 . . . . . .
. . . . . .
+ 20 GLU N 1 0.876 0.009 . . . . . .
. . . . . .
+ 21 GLU N 3 0.868 0.012 . . . . . .
. . . . . .
+ 22 ALA N 3 0.848 0.008 . . . . . .
. . . . . .
+ 23 LEU N 3 0.840 0.011 . . . . . .
. . . . . .
+ 24 ARG N 3 0.872 0.009 . . . . . .
. . . . . .
+ 25 LEU N 3 0.851 0.011 . . . . . .
. . . . . .
+ 26 GLY N 3 0.823 0.010 . . . . . .
. . . . . .
+ 27 HIS N 3 0.844 0.010 . . . . . .
. . . . . .
+ 28 ASN N 2 0.826 0.014 24.99 12.31 . . . .
. . . . . .
+ 29 ASN N 7 0.577 0.168 . . 0.730 0.073 0.789 0.196
2553.48 2011.96 . . . .
+ 30 ILE N 3 0.782 0.013 . . . . . .
. . . . . .
+ 31 GLY N 3 0.803 0.019 . . . . . .
. . . . . .
+ 33 GLU N 3 0.832 0.012 . . . . . .
. . . . . .
+ 34 HIS N 3 0.863 0.014 . . . . . .
. . . . . .
+ 36 LEU N 3 0.848 0.013 . . . . . .
. . . . . .
+ 37 LEU N 3 0.840 0.011 . . . . . .
. . . . . .
+ 38 GLY N 3 0.850 0.010 . . . . . .
. . . . . .
+ 39 LEU N 3 0.844 0.010 . . . . . .
. . . . . .
+ 40 VAL N 3 0.836 0.012 . . . . . .
. . . . . .
+ 41 ARG N 1 0.830 0.006 . . . . . .
. . . . . .
+ 42 GLU N 3 0.827 0.010 . . . . . .
. . . . . .
+ 43 GLY N 3 0.793 0.020 . . . . . .
. . . . . .
+ 45 GLY N 3 0.853 0.025 . . . . . .
. . . . . .
+ 46 ILE N 3 0.843 0.018 . . . . . .
. . . . . .
+ 47 ALA N 3 0.854 0.012 . . . . . .
. . . . . .
+ 48 ALA N 3 0.782 0.009 . . . . . .
. . . . . .
+ 50 ALA N 3 0.833 0.010 . . . . . .
. . . . . .
+ 53 ALA N 4 0.805 0.011 13.45 6.85 . . . .
. . . . . .
+ 54 LEU N 4 0.768 0.013 10.06 6.12 . . . .
. . . . . .
+ 55 GLY N 3 0.815 0.010 . . . . . .
. . . . . .
+ 57 GLY N 4 0.523 0.007 32.28 1.74 . . . .
. . . . . .
+ 58 SER N 4 0.804 0.009 19.67 7.16 . . . .
. . . . . .
+ 59 GLU N 3 0.823 0.009 . . . . . .
. . . . . .
+ 60 LYS N 1 0.821 0.009 . . . . . .
. . . . . .
+ 61 ILE N 3 0.834 0.011 . . . . . .
. . . . . .
+ 62 GLN N 3 0.855 0.011 . . . . . .
. . . . . .
+ 64 GLU N 1 0.871 0.010 . . . . . .
. . . . . .
+ 65 VAL N 3 0.842 0.010 . . . . . .
. . . . . .
+ 66 GLU N 3 0.845 0.011 . . . . . .
. . . . . .
+ 67 SER N 4 0.828 0.009 18.21 6.33 . . . .
. . . . . .
+ 68 LEU N 3 0.818 0.011 . . . . . .
. . . . . .
+ 69 ILE N 4 0.768 0.012 24.35 9.48 . . . .
. . . . . .
+ 70 GLY N 5 0.698 0.015 . . 0.799 0.007 0.874 0.019
1137.56 184.49 . . . .
+ 71 ARG N 8 0.469 0.103 . . 0.630 0.038 0.744 0.123
6335.33 2296.42 . . . .
+ 72 GLY N 5 0.644 0.015 . . 0.791 0.008 0.814 0.015
624.91 102.95 . . . .
+ 73 GLN N 6 0.415 0.013 . . 0.676 0.032 0.614 0.021
2203.72 588.46 . . . .
+ 75 MET N 6 0.338 0.012 . . 0.702 0.024 0.481 0.019
1742.14 209.39 . . . .
+ 76 SER N 8 0.234 0.124 . . 0.558 0.041 0.420 0.196
4730.12 1806.42 . . . .
+ 78 THR N 6 0.591 0.023 . . 0.674 0.024 0.876 0.026
3821.93 2436.56 . . . .
+ 79 ILE N 7 0.543 0.079 . . 0.756 0.023 0.719 0.086
1447.04 455.41 . . . .
+ 80 HIS N 7 0.616 0.136 . . 0.771 0.064 0.800 0.136
2118.46 1385.90 . . . .
+ 81 TYR N 3 0.778 0.015 . . . . . .
. . . . . .
+ 82 THR N 3 0.814 0.015 . . . . . .
. . . . . .
+ 84 ARG N 3 0.862 0.025 . . . . . .
. . . . . .
+ 85 ALA N 1 0.883 0.011 . . . . . .
. . . . . .
+ 86 LYS N 7 0.335 0.227 . . 0.704 0.066 0.476 0.282
6244.59 2226.06 . . . .
+ 87 LYS N 1 0.885 0.018 . . . . . .
. . . . . .
+ 88 VAL N 3 0.866 0.010 . . . . . .
. . . . . .
+ 89 ILE N 1 0.891 0.009 . . . . . .
. . . . . .
+ 90 GLU N 1 0.891 0.007 . . . . . .
. . . . . .
+ 91 LEU N 1 0.884 0.013 . . . . . .
. . . . . .
+ 92 SER N 4 0.881 0.015 24.67 13.66 . . . .
. . . . . .
+ 93 MET N 1 0.882 0.009 . . . . . .
. . . . . .
+ 94 ASP N 3 0.848 0.010 . . . . . .
. . . . . .
+ 95 GLU N 3 0.831 0.013 . . . . . .
. . . . . .
+ 96 ALA N 1 0.872 0.008 . . . . . .
. . . . . .
+ 97 ARG N 3 0.849 0.012 . . . . . .
. . . . . .
+ 100 GLY N 3 0.817 0.012 . . . . . .
. . . . . .
+ 101 HIS N 4 0.781 0.011 15.80 6.15 . . . .
. . . . . .
+ 102 SER N 3 0.743 0.044 . . . . . .
. . . . . .
+ 103 TYR N 7 0.640 0.076 . . 0.756 0.027 0.847 0.077
2423.54 767.23 . . . .
+ 104 VAL N 4 0.800 0.017 18.48 12.66 . . . .
. . . . . .
+ 105 GLY N 3 0.808 0.024 . . . . . .
. . . . . .
+ 107 GLU N 3 0.815 0.013 . . . . . .
. . . . . .
+ 108 HIS N 3 0.876 0.015 . . . . . .
. . . . . .
+ 109 ILE N 3 0.841 0.014 . . . . . .
. . . . . .
+ 110 LEU N 3 0.859 0.012 . . . . . .
. . . . . .
+ 111 LEU N 3 0.845 0.020 . . . . . .
. . . . . .
+ 112 GLY N 3 0.860 0.011 . . . . . .
. . . . . .
+ 113 LEU N 3 0.860 0.017 . . . . . .
. . . . . .
+ 116 GLU N 3 0.872 0.015 . . . . . .
. . . . . .
+ 117 GLY N 3 0.830 0.011 . . . . . .
. . . . . .
+ 119 GLY N 3 0.870 0.050 . . . . . .
. . . . . .
+ 120 VAL N 3 0.830 0.023 . . . . . .
. . . . . .
+ 121 ALA N 3 0.837 0.013 . . . . . .
. . . . . .
+ 123 ARG N 3 0.828 0.011 . . . . . .
. . . . . .
+ 126 ASN N 3 0.831 0.010 . . . . . .
. . . . . .
+ 127 ASN N 3 0.813 0.010 . . . . . .
. . . . . .
+ 128 LEU N 3 0.791 0.013 . . . . . .
. . . . . .
+ 130 VAL N 3 0.814 0.009 . . . . . .
. . . . . .
+ 131 SER N 7 0.487 0.149 . . 0.654 0.084 0.745 0.184
2963.99 1765.98 . . . .
+ 132 LEU N 1 0.868 0.009 . . . . . .
. . . . . .
+ 133 ASN N 3 0.830 0.011 . . . . . .
. . . . . .
+ 134 LYS N 1 0.864 0.013 . . . . . .
. . . . . .
+ 136 ARG N 3 0.848 0.011 . . . . . .
. . . . . .
+ 138 GLN N 3 0.861 0.012 . . . . . .
. . . . . .
+ 139 VAL N 4 0.840 0.010 21.23 11.35 . . . .
. . . . . .
+ 140 LEU N 3 0.838 0.013 . . . . . .
. . . . . .
+ 142 LEU N 4 0.810 0.014 13.64 6.81 . . . .
. . . . . .
+ 143 LEU N 4 0.751 0.011 27.27 5.72 . . . .
. . . . . .
+ 145 SER N 6 0.103 0.026 . . 0.483 0.006 0.213 0.053
6366.45 941.85 . . . .
+ 146 ASN N 6 0.037 0.006 . . 0.282 0.011 0.130 0.018
1532.60 97.50 . . . .
stop_
Only in .: bmr16392.str
Only in .: bmr16925.str
Only in .: bmr16931.str
Only in .: bmr16933.str
Only in .: bmr17010.str
Only in .: bmr17012.str
Only in .: bmr17013.str
Only in .: bmr17041.str
Only in .: bmr17046.str
Only in .: bmr17047.str
Only in .: bmr17069.str
diff -ur ./bmr4096.str ../bmr2.1_files/bmr4096.str
--- ./bmr4096.str 2011-01-28 05:56:00.000000000 +0100
+++ ../bmr2.1_files/bmr4096.str 2011-02-03 13:22:27.000000000 +0100
@@ -1031,7 +1031,7 @@
3JHNHA 60 ALA H 60 ALA HA 3.96 0.03
3JHNHA 63 LEU H 63 LEU HA 3.13 0.08
3JHNHA 64 ALA H 64 ALA HA 3.50 0.03
- 3JHNHA 65 ASN H 65 ASN HA 4.94 0.03
+ 3JHNHA 65 GLN H 65 GLN HA 4.94 0.03
3JHNHA 66 ILE H 66 ILE HA 4.18 0.05
3JHNHA 67 GLY H 67 GLY HA 4.82 0.04
3JHNHA 68 VAL H 68 VAL HA 4.36 0.03
@@ -1108,7 +1108,7 @@
3JHNHA 143 SER H 143 SER HA 3.33 0.03
3JHNHA 144 GLY H 144 GLY HA 4.40 0.06
3JHNHA 145 LEU H 145 LEU HA 3.06 0.09
- 3JHNHA 146 ASN H 146 ASN HA 6.99 0.02
+ 3JHNHA 146 GLN H 146 GLN HA 6.99 0.02
3JHNHA 147 SER H 147 SER HA 5.56 0.02
stop_
@@ -1222,7 +1222,7 @@
62 VAL N 0.88 0.03
63 LEU N 0.85 0.03
64 ALA N 0.85 0.02
- 65 ASN N 0.85 0.02
+ 65 GLN N 0.85 0.02
66 ILE N 0.88 0.03
67 GLY N 0.8 0.03
68 VAL N 0.91 0.02
@@ -1302,7 +1302,7 @@
143 SER N 0.86 0.02
144 GLY N 0.91 0.03
145 LEU N 0.88 0.04
- 146 ASN N 0.84 0.02
+ 146 GLN N 0.84 0.02
147 SER N 1 0.01
stop_
@@ -1416,7 +1416,7 @@
62 VAL N 13.3 0.25
63 LEU N 15.64 0.29
64 ALA N 16.38 0.22
- 65 ASN N 15.93 0.25
+ 65 GLN N 15.93 0.25
66 ILE N 14.28 0.29
67 GLY N 15.87 0.3
68 VAL N 16.72 0.25
@@ -1496,7 +1496,7 @@
143 SER N 17.48 0.23
144 GLY N 15.64 0.27
145 LEU N 16.42 0.48
- 146 ASN N 15.59 0.24
+ 146 GLN N 15.59 0.24
147 SER N 12.32 0.08
stop_
@@ -1605,7 +1605,7 @@
62 VAL N 14.24 0.33
63 LEU N 14.94 0.41
64 ALA N 15.47 0.26
- 65 ASN N 15 0.32
+ 65 GLN N 15 0.32
66 ILE N 14.23 0.39
67 GLY N 14.62 0.35
68 VAL N 14.26 0.28
@@ -1684,7 +1684,7 @@
143 SER N 14.75 0.28
144 GLY N 14.06 0.34
145 LEU N 15.19 0.51
- 146 ASN N 15.11 0.34
+ 146 GLN N 15.11 0.34
147 SER N 12.35 0.14
stop_
@@ -1800,7 +1800,7 @@
62 VAL N 0.85 .
63 LEU N 0.86 .
64 ALA N 0.86 .
- 65 ASN N 0.86 .
+ 65 GLN N 0.86 .
66 ILE N 0.85 .
67 GLY N 0.88 .
68 VAL N 0.85 .
@@ -1881,7 +1881,7 @@
143 SER N 0.84 .
144 GLY N 0.85 .
145 LEU N 0.87 .
- 146 ASN N 0.83 .
+ 146 GLN N 0.83 .
147 SER N 0.72 .
stop_
@@ -1981,7 +1981,7 @@
62 VAL N 0.9138 0.0186 . . . . 10.3361 S2
63 LEU N 0.9735 0.0195 . . . . 1.1268 S2
64 ALA N 0.9355 0.0394 . . 1.8352 0.9506 2.772 S2,Rex
- 65 ASN N 0.9732 0.017 . . . . 4.3623 S2
+ 65 GLN N 0.9732 0.017 . . . . 4.3623 S2
66 ILE N 0.9249 0.0197 . . . . 2.8354 S2
67 GLY N 0.9543 0.0187 . . . . 4.6845 S2
68 VAL N 0.9474 0.0158 . . . . 1.5478 S2
@@ -2060,7 +2060,7 @@
143 SER N 0.9746 0.0139 . . . . 3.6387 S2
144 GLY N 0.9384 0.0179 . . . . 0.4807 S2
145 LEU N 0.9867 0.0185 . . . . 3.3007 S2
- 146 ASN N 0.9742 0.0187 . . . . 5.23 S2
+ 146 GLN N 0.9742 0.0187 . . . . 5.23 S2
147 SER N 0.8163 0.0094 23.7407 4.1317 . . 17.4326 S2,te
stop_
@@ -2173,7 +2173,7 @@
62 VAL H 8.68E-07 . . 1.63E-03
63 LEU H . . 1.00E-08 .
64 ALA H 3.90E-07 . . 3.19E-03
- 65 ASN H 3.90E-07 . . 3.19E-03
+ 65 GLN H 3.90E-07 . . 3.19E-03
66 ILE H 1.92E-06 . . 7.71E-04
67 GLY H . . 1.00E-08 .
68 VAL H 5.83E-06 . . 1.88E-04
@@ -2240,7 +2240,7 @@
143 SER H 2.00E-05 . . 7.11E-07
144 GLY H 4.69E-06 . . 2.58E-04
145 LEU H . . 1.00E-08 .
- 146 ASN H 1.38E-03 . . 4.02E-05
+ 146 GLN H 1.38E-03 . . 4.02E-05
147 SER H 1.90E-02 . . 9.51E-04
stop_
@@ -2316,7 +2316,7 @@
61 LYS H 3.87E-02 1.47E+04 .
62 VAL H 1.15E-02 7.95E+05 .
64 ALA H 2.63E-02 4.05E+06 .
- 65 ASN H 4.86E-02 7.48E+06 .
+ 65 GLN H 4.86E-02 7.48E+06 .
66 ILE H 1.29E-02 4.02E+05 .
68 VAL H 1.29E-02 1.33E+05 .
71 SER H 7.16E-02 1.38E+04 .
@@ -2359,7 +2359,7 @@
140 ALA H 6.25E-02 4.10E+04 .
143 SER H 5.83E-02 1.75E+05 .
144 GLY H 1.56E-01 1.99E+06 .
- 146 ASN H 3.02E-02 1.32E+03 .
+ 146 GLN H 3.02E-02 1.32E+03 .
147 SER H 3.22E-03 1.02E+01 .
stop_
diff -ur ./bmr4245.str ../bmr2.1_files/bmr4245.str
--- ./bmr4245.str 2011-01-28 05:56:31.000000000 +0100
+++ ../bmr2.1_files/bmr4245.str 2011-02-01 20:47:35.000000000 +0100
@@ -1324,7 +1324,7 @@
_Order_parameter_value
_Order_parameter_value_error
_Tau_e_value
- _Tau_e_value_error
+ _Tau_e_value_fit_error
_Chemical_shift_anisotropy_value
_Chemical_shift_anisotropy_value_error
_Normalized_chi_squared_fit
diff -ur ./bmr4267.str ../bmr2.1_files/bmr4267.str
--- ./bmr4267.str 2011-01-28 05:56:57.000000000 +0100
+++ ../bmr2.1_files/bmr4267.str 2011-02-01 19:00:17.000000000 +0100
@@ -3105,8 +3105,8 @@
99 LYS N 0.993 0.020
100 SER N 1.018 0.027
101 TYR N 1.047 0.023
- 102 GLY N 1.016 0.051
- 103 LEU N 1.013 0.020
+ 103 GLY N 1.016 0.051
+ 104 LEU N 1.013 0.020
105 THR N 1.103 0.032
106 SER N 1.043 0.025
107 TYR N 1.059 0.031
@@ -4604,7 +4604,7 @@
175 GLN 0.534 0.063
176 CYS 0.703 0.145
178 ASP 0.708 0.050
- 79 GLY -0.224 0.050
+ 179 GLY -0.224 0.050
stop_
diff -ur ./bmr4390.str ../bmr2.1_files/bmr4390.str
--- ./bmr4390.str 2011-02-01 21:01:34.000000000 +0100
+++ ../bmr2.1_files/bmr4390.str 2011-02-15 15:22:14.000000000 +0100
@@ -493,7 +493,7 @@
_Residue_seq_code
_Residue_label
_Atom_name
- _T2_relaxation_value
+ _T2_value
_T2_value_error
1 3 ALA N 1.922 0.013
@@ -757,78 +757,79 @@
_Sample_conditions_label $sample_conditions
_Spectrometer_frequency_1H 500
_Mol_system_component_name eotaxin
- _Tau_e_value_units ns
+ _Tau_e_value_units ps
loop_
_S2_parameters_ID
_Residue_seq_code
_Residue_label
- _S2_value
- _S2_value_fit_error
+ _Atom_name
_S2f_value
_S2f_value_fit_error
+ _S2_value
+ _S2_value_fit_error
_Tau_e_value
_Tau_e_value_fit_error
_Rex_value
_Rex_error
- 1 3 ALA . . 0.135 0.002 74.1 1.2 0.497 0.021
- 2 4 SER . . 0.178 0.002 95.4 1.7 0.501 0.026
- 3 5 VAL . . 0.286 0.002 101.7 2.1 . .
- 4 7 THR . . 0.489 0.007 114.6 4.8 0.350 0.076
- 5 8 THR . . 0.593 0.016 90.7 7.6 3.974 0.341
- 6 9 CYS . . 0.648 0.012 78.0 6.2 0.542 0.118
- 7 12 ASN . . 0.625 0.012 43.9 5.3 4.233 0.380
- 8 13 LEU . . 0.691 0.018 29.6 5.8 1.767 0.196
- 9 14 ALA . . 0.724 0.016 40.8 6.9 0.669 0.172
- 10 16 ARG . . 0.674 0.008 75.4 6.5 . .
- 11 17 LYS . . 0.732 0.008 63.5 6.9 . .
- 12 18 ILE . . 0.778 0.022 63.2 12.2 . .
- 13 20 LEU . . 0.806 0.008 44.8 9.8 . .
- 14 21 GLN . . 0.779 0.009 53.8 8.7 . .
- 15 22 ARG . . 0.775 0.007 43.8 8.6 . .
- 16 23 LEU . . 0.749 0.012 31.4 7.1 0.515 0.116
- 17 24 GLU . . 0.782 0.010 45.4 8.9 . .
- 18 25 SER . . 0.756 0.007 38.7 7.4 . .
- 19 26 TYR . . 0.789 0.011 60.8 9.7 . .
- 20 27 ARG 0.883 0.019 0.740 0.054 3184.5 820.1 . .
- 21 28 ARG . . 0.746 0.012 50.2 7.5 . .
- 22 30 THR . . 0.878 0.013 324.5 290.9 . .
- 23 31 SER . . 0.676 0.027 57.2 8.9 4.385 0.587
- 24 32 GLY . . 0.725 0.025 34.1 7.7 . .
- 25 33 LYS . . 0.714 0.015 100.5 10.7 2.277 0.184
- 26 36 GLN . . 0.689 0.012 50.4 6.0 2.441 0.137
- 27 37 LYS . . 0.673 0.024 44.9 7.0 6.430 0.381
- 28 38 ALA . . 0.569 0.010 90.0 5.2 2.745 0.206
- 29 39 VAL . . 0.774 0.011 26.2 8.1 . .
- 30 40 ILE . . 0.846 0.010 0.0 0.0 . .
- 31 41 PHE . . 0.750 0.012 0.0 0.0 . .
- 32 42 LYS . . 0.783 0.009 37.1 8.7 . .
- 33 43 THR . . 0.730 0.014 25.8 6.4 0.669 0.145
- 34 45 LEU . . 0.687 0.018 79.0 9.2 0.747 0.184
- 35 46 ALA . . 0.688 0.006 50.3 5.6 . .
- 36 47 LYS . . 0.685 0.006 21.2 5.1 . .
- 37 49 ILE . . 0.737 0.010 36.5 6.9 . .
- 38 50 CYS . . 0.743 0.007 45.1 7.1 . .
- 39 51 ALA . . 0.779 0.022 52.2 10.6 7.398 0.467
- 40 52 ASP . . 0.730 0.009 50.1 7.0 . .
- 41 54 LYS . . 0.758 0.006 23.6 7.3 . .
- 42 55 LYS . . 0.757 0.008 42.8 7.7 . .
- 43 56 LYS . . 0.803 0.016 34.9 10.1 . .
- 44 57 TRP . . 0.851 0.010 101.7 16.9 . .
- 45 58 VAL . . 0.810 0.008 43.8 10.4 . .
- 46 59 GLN . . 0.753 0.007 53.1 7.6 . .
- 47 60 ASP . . 0.790 0.006 38.4 8.7 . .
- 48 61 SER . . 0.724 0.011 40.7 6.4 0.383 0.114
- 49 62 MET . . 0.758 0.007 36.6 7.6 . .
- 50 63 LYS . . 0.765 0.006 34.0 7.7 . .
- 51 64 TYR . . 0.776 0.006 57.4 8.6 . .
- 52 65 LEU . . 0.762 0.008 48.8 8.0 . .
- 53 66 ASP . . 0.726 0.006 31.7 6.3 . .
- 54 68 LYS 0.725 0.010 0.739 0.023 1045.5 130.8 . .
- 55 69 SER . . 0.540 0.006 94.2 4.0 . .
- 56 71 THR 0.622 0.006 0.204 0.007 811.1 16.9 . .
- 57 73 LYS 0.602 0.008 0.144 0.009 686.4 16.1 . .
+ 1 3 ALA N . . 0.135 0.002 74.1 1.2 0.497 0.021
+ 2 4 SER N . . 0.178 0.002 95.4 1.7 0.501 0.026
+ 3 5 VAL N . . 0.286 0.002 101.7 2.1 . .
+ 4 7 THR N . . 0.489 0.007 114.6 4.8 0.350 0.076
+ 5 8 THR N . . 0.593 0.016 90.7 7.6 3.974 0.341
+ 6 9 CYS N . . 0.648 0.012 78.0 6.2 0.542 0.118
+ 7 12 ASN N . . 0.625 0.012 43.9 5.3 4.233 0.380
+ 8 13 LEU N . . 0.691 0.018 29.6 5.8 1.767 0.196
+ 9 14 ALA N . . 0.724 0.016 40.8 6.9 0.669 0.172
+ 10 16 ARG N . . 0.674 0.008 75.4 6.5 . .
+ 11 17 LYS N . . 0.732 0.008 63.5 6.9 . .
+ 12 18 ILE N . . 0.778 0.022 63.2 12.2 . .
+ 13 20 LEU N . . 0.806 0.008 44.8 9.8 . .
+ 14 21 GLN N . . 0.779 0.009 53.8 8.7 . .
+ 15 22 ARG N . . 0.775 0.007 43.8 8.6 . .
+ 16 23 LEU N . . 0.749 0.012 31.4 7.1 0.515 0.116
+ 17 24 GLU N . . 0.782 0.010 45.4 8.9 . .
+ 18 25 SER N . . 0.756 0.007 38.7 7.4 . .
+ 19 26 TYR N . . 0.789 0.011 60.8 9.7 . .
+ 20 27 ARG N 0.883 0.019 0.740 0.054 3184.5 820.1 . .
+ 21 28 ARG N . . 0.746 0.012 50.2 7.5 . .
+ 22 30 THR N . . 0.878 0.013 324.5 290.9 . .
+ 23 31 SER N . . 0.676 0.027 57.2 8.9 4.385 0.587
+ 24 32 GLY N . . 0.725 0.025 34.1 7.7 . .
+ 25 33 LYS N . . 0.714 0.015 100.5 10.7 2.277 0.184
+ 26 36 GLN N . . 0.689 0.012 50.4 6.0 2.441 0.137
+ 27 37 LYS N . . 0.673 0.024 44.9 7.0 6.430 0.381
+ 28 38 ALA N . . 0.569 0.010 90.0 5.2 2.745 0.206
+ 29 39 VAL N . . 0.774 0.011 26.2 8.1 . .
+ 30 40 ILE N . . 0.846 0.010 0.0 0.0 . .
+ 31 41 PHE N . . 0.750 0.012 0.0 0.0 . .
+ 32 42 LYS N . . 0.783 0.009 37.1 8.7 . .
+ 33 43 THR N . . 0.730 0.014 25.8 6.4 0.669 0.145
+ 34 45 LEU N . . 0.687 0.018 79.0 9.2 0.747 0.184
+ 35 46 ALA N . . 0.688 0.006 50.3 5.6 . .
+ 36 47 LYS N . . 0.685 0.006 21.2 5.1 . .
+ 37 49 ILE N . . 0.737 0.010 36.5 6.9 . .
+ 38 50 CYS N . . 0.743 0.007 45.1 7.1 . .
+ 39 51 ALA N . . 0.779 0.022 52.2 10.6 7.398 0.467
+ 40 52 ASP N . . 0.730 0.009 50.1 7.0 . .
+ 41 54 LYS N . . 0.758 0.006 23.6 7.3 . .
+ 42 55 LYS N . . 0.757 0.008 42.8 7.7 . .
+ 43 56 LYS N . . 0.803 0.016 34.9 10.1 . .
+ 44 57 TRP N . . 0.851 0.010 101.7 16.9 . .
+ 45 58 VAL N . . 0.810 0.008 43.8 10.4 . .
+ 46 59 GLN N . . 0.753 0.007 53.1 7.6 . .
+ 47 60 ASP N . . 0.790 0.006 38.4 8.7 . .
+ 48 61 SER N . . 0.724 0.011 40.7 6.4 0.383 0.114
+ 49 62 MET N . . 0.758 0.007 36.6 7.6 . .
+ 50 63 LYS N . . 0.765 0.006 34.0 7.7 . .
+ 51 64 TYR N . . 0.776 0.006 57.4 8.6 . .
+ 52 65 LEU N . . 0.762 0.008 48.8 8.0 . .
+ 53 66 ASP N . . 0.726 0.006 31.7 6.3 . .
+ 54 68 LYS N 0.725 0.010 0.739 0.023 1045.5 130.8 . .
+ 55 69 SER N . . 0.540 0.006 94.2 4.0 . .
+ 56 71 THR N 0.622 0.006 0.204 0.007 811.1 16.9 . .
+ 57 73 LYS N 0.602 0.008 0.144 0.009 686.4 16.1 . .
stop_
diff -ur ./bmr5154.str ../bmr2.1_files/bmr5154.str
--- ./bmr5154.str 2011-01-28 05:59:44.000000000 +0100
+++ ../bmr2.1_files/bmr5154.str 2011-02-15 19:34:50.000000000 +0100
@@ -532,7 +532,7 @@
_Sample_conditions_label $condition_1
_Spectrometer_frequency_1H 500
_T1_coherence_type Nz
- _T1_value_units s-1
+ _T1_value_units s
_Mol_system_component_name "N-TIMP-1, inhibitor"
loop_
@@ -664,7 +664,7 @@
_Sample_conditions_label $condition_1
_Spectrometer_frequency_1H 500
_T2_coherence_type Nx
- _T2_value_units s-1
+ _T2_value_units s
_Mol_system_component_name "N-TIMP-1, inhibitor"
loop_
diff -ur ./bmr5548.str ../bmr2.1_files/bmr5548.str
--- ./bmr5548.str 2011-01-28 06:01:18.000000000 +0100
+++ ../bmr2.1_files/bmr5548.str 2011-01-31 16:48:00.000000000 +0100
@@ -1405,11 +1405,11 @@
_Tau_e_value_fit_error
4 GLU N . 0.08 0.01 595.9 37.04
- 6 ASP N . 0.12 0.01 864.25 56.54
+ 6 GLU N . 0.12 0.01 864.25 56.54
7 TYR N . 0.11 0.02 849.24 55.81
9 GLY N . 0.12 0.02 939.6 67.63
10 ASP N . 0.2 0.02 920.89 75.43
- 11 ARG N . 0.21 0.03 1050.46 98.67
+ 11 ASN N . 0.21 0.03 1050.46 98.67
12 ALA N . 0.21 0.02 1088.9 101.6
13 THR N . 0.35 0.02 1162.35 150.12
15 GLU N . 0.58 0.03 992.57 218.99
@@ -1470,7 +1470,7 @@
6 GLU N . 0.72 0.02 63.39 14.12
7 TYR N . 0.86 0.01 . .
10 ASP N . 0.76 0.01 . .
- 11 ARG N . 0.76 0.01 . .
+ 11 ASN N . 0.76 0.01 . .
12 ALA N . 0.77 0.01 . .
13 THR N . 0.84 0.02 . .
15 GLU N . 0.78 0.02 . .
diff -ur ./bmr5808.str ../bmr2.1_files/bmr5808.str
--- ./bmr5808.str 2011-01-28 06:02:30.000000000 +0100
+++ ../bmr2.1_files/bmr5808.str 2011-02-15 18:58:58.000000000 +0100
@@ -1460,7 +1460,7 @@
_Sample_conditions_label $Ex-cond_1
_Spectrometer_frequency_1H 600
_T1_coherence_type Nz
- _T1_value_units ms
+ _T1_value_units s
_Mol_system_component_name "PAH2 domain of mSin3B"
loop_
@@ -1792,7 +1792,7 @@
_Residue_label
_Atom_name
_S2_value
- _S2_value_error
+ _S2_value_fit_error
1 1 GLU N 0.136 0.025
2 2 SER N 0.212 0.020
diff -ur ./bmr5841.str ../bmr2.1_files/bmr5841.str
--- ./bmr5841.str 2011-01-28 06:02:33.000000000 +0100
+++ ../bmr2.1_files/bmr5841.str 2011-02-01 21:12:30.000000000 +0100
@@ -1340,7 +1340,7 @@
_Residue_label
_Atom_name
_S2_value
- _S2_error
+ _S2_value_fit_error
_Rex_value
_Rex_error
_Tau_e_value
diff -ur ./bmr5991.str ../bmr2.1_files/bmr5991.str
--- ./bmr5991.str 2011-02-01 21:01:33.000000000 +0100
+++ ../bmr2.1_files/bmr5991.str 2011-02-15 19:13:23.000000000 +0100
@@ -2424,7 +2424,7 @@
_Sample_conditions_label $Condition_1
_Spectrometer_frequency_1H 500
_T1_coherence_type Nz
- _T1_value_units ms
+ _T1_value_units s
_Mol_system_component_name "Ets-1 DN301 monomer"
loop_
@@ -2579,7 +2579,7 @@
_Sample_conditions_label $Condition_1
_Spectrometer_frequency_1H 500
_T2_coherence_type Ny
- _T2_value_units ms
+ _T2_value_units s
_Mol_system_component_name "Ets-1 DN301 monomer"
loop_
@@ -2889,7 +2889,7 @@
_Sample_conditions_label $Condition_1
_Mol_system_component_name "Ets-1 DN301 monomer"
- _Tau_e_value_units ps
+ _Tau_e_value_units ns
loop_
_Residue_seq_code
diff -ur ./bmr6243.str ../bmr2.1_files/bmr6243.str
--- ./bmr6243.str 2011-01-28 06:05:35.000000000 +0100
+++ ../bmr2.1_files/bmr6243.str 2011-01-31 15:54:03.000000000 +0100
@@ -3533,7 +3533,7 @@
_Residue_label
_Atom_name
_S2_value
- _S2_value_error
+ _S2_value_fit_error
1 2 GLU N 0.3941 0.0156
2 3 CYS N 0.7177 0.0121
@@ -3677,7 +3677,7 @@
_Residue_label
_Atom_name
_S2_value
- _S2_value_error
+ _S2_value_fit_error
1 2 GLU N 0.3692 0.0312
2 4 SER N 0.8487 0.0085
diff -ur ./bmr6470.str ../bmr2.1_files/bmr6470.str
--- ./bmr6470.str 2011-01-28 06:06:43.000000000 +0100
+++ ../bmr2.1_files/bmr6470.str 2011-02-15 19:59:15.000000000 +0100
@@ -570,8 +570,8 @@
_Sample_conditions_label $condition_1
_Spectrometer_frequency_1H 600
- _T1_coherence_type Nz
- _T1_value_units s
+ _T2_coherence_type Nz
+ _T2_value_units s
_Mol_system_component_name Ubiquitin
loop_
@@ -669,8 +669,8 @@
_Sample_conditions_label $condition_1
_Spectrometer_frequency_1H 600
- _T1_coherence_type Nz
- _T1_value_units s
+ _T2_coherence_type Nz
+ _T2_value_units s
_Mol_system_component_name Ubiquitin
loop_
@@ -969,6 +969,7 @@
stop_
_Sample_conditions_label $condition_1
+ _Tau_e_value_units ps
_Mol_system_component_name Ubiquitin
loop_
diff -ur ./bmr6474.str ../bmr2.1_files/bmr6474.str
--- ./bmr6474.str 2011-01-28 06:06:43.000000000 +0100
+++ ../bmr2.1_files/bmr6474.str 2011-02-01 21:17:38.000000000 +0100
@@ -1016,8 +1016,8 @@
23 ALA N 0.0484 0.0015
24 VAL N 0.0547 0.000478
25 ASN N 0.0612 0.0024
- 26 SER N 0.0519 0.0006.99
- 27 THR N 0.0559 0.0007.42
+ 26 SER N 0.0519 0.000699
+ 27 THR N 0.0559 0.000742
28 SER N 0.0613 0.000281
29 SER N 0.0591 0.000163
31 LYS N 0.0561 0.000418
@@ -1261,7 +1261,7 @@
_Residue_label
_Atom_name
_S2_value
- _S2_error
+ _S2_value_fit_error
_Rex_value
_Rex_error
_Tau_e_value
diff -ur ./bmr6577.str ../bmr2.1_files/bmr6577.str
--- ./bmr6577.str 2011-01-28 06:07:14.000000000 +0100
+++ ../bmr2.1_files/bmr6577.str 2011-02-15 19:36:17.000000000 +0100
@@ -2062,7 +2062,7 @@
_Sample_conditions_label $conditions_1
_Spectrometer_frequency_1H 600.13
_T2_coherence_type Nx
- _T2_value_units s
+ _T2_value_units s-1
_Mol_system_component_name IF2-C1_polypeptide
loop_
@@ -2277,7 +2277,7 @@
_Residue_label
_Atom_name
_S2_value
- _S2_value_error
+ _S2_value_fit_error
7 THR N 0.086 0.010
10 SER N 0.106 0.013
Only in .: bmr6838.str
Only in .: changes.sh
Only in .: diff
Re: Finished the reading of all the BMRB model-free data - necessary corrections to the database entries.