Dear Troels,
another question (I was able to load the spins from the PDB file): I have
previously run the Bruker Dynamics Center software, and the manual of that
software indicates how to export the results of its analysis to Relax. In
particular, it produces text files of the kind attached for NOE. Could you
please check that Relax reads those files smothlessly?
Stefano
$##1.0
Project: Dynamic method/Hetero NOE
Date: Friday, February 7, 2014 6:08:03 PM
User: Administrator
Computer: stefanociurd9c9
generated by: Dynamics Center daily (2013 Jan/25)
SECTION: sample information
sample name: UreE
Description/Title: standard demo sample
Origin: in-house
Date of preparation: 06 / 2012
Solvent: 90% H2O + 10% D2O
pH: 7.5
Sample tube: normal
Tube diameter (mm): 5
Concentration (mM): 1.00
Temperature (K): 298.0
Weight (Daltons): 17500
Correlation time (ns): 17.00
Labelling: 15N
AminoAcid storage: FASTA file
AminoAcid file: \\psf\Home\Desktop\13-BpUreE-NMR\Manuscript\Figure 7 -
Dynamics\Protein Dynamics Center SC\BpUreE_aa.fa
0 M L I T K I V G H I
10 D D Y E S S D K K V
20 D W L E V E W E D L
30 N K R I L R K E T E
40 N G T D I A I K L E
50 N S G T L R Y G D V
60 L Y E S D D T L I A
70 I R T K L E K V Y V
80 I K P Q T M Q E M G
90 K M A F E I G N R H
100 T M C I I E D D E I
110 L V R Y D K T L E K
120 L I D E V G V S Y E
130 Q S E R R F K E P F
140 K Y R G H Q H
PDB file: \\psf\Home\Desktop\13-BpUreE-NMR\Manuscript\Figure 7 -
Dynamics\Protein Dynamics Center SC\hadded_2.pdb
SECTION: relevant parameters
Proton frequency[MHz]: 700.130
X nucleus frequency[MHz]: 70.944
SECTION: integrals
Spectrum [ ]: 0 1
Peak name I0 I1
L2 534647.12500000 214904.12500000
I3 660662.37500000 401012.56250000
T4 237175.62500000 171186.81250000
K5 480930.75000000 327864.06250000
I6 1465310.75000000 830480.31250000
V7 432550.00000000 292287.62500000
G8 603495.00000000 429516.31250000
H9 685673.37500000 454305.43750000
I10 2221139.62500000 1513887.56250000
D11 224229.62500000 149040.00000000
D12 528713.62500000 319533.37500000
E14 695697.62500000 239370.43750000
S15 587708.87500000 208414.37500000
S16 583030.50000000 146139.93750000
D17 849547.75000000 357195.12500000
K18 905491.50000000 337111.43750000
K19 800009.00000000 360036.12500000
V20 1034475.00000000 547518.25000000
D21 736123.12500000 578456.37500000
W22 983768.25000000 597529.06250000
L23 696206.75000000 522901.06250000
E24 613703.62500000 399987.37500000
V25 670275.50000000 478161.50000000
E26 477792.75000000 312968.87500000
W27 206761.50000000 133610.12500000
L30 251557.37500000 162863.87500000
K32 591989.50000000 365665.56250000
R33 300192.50000000 227827.87500000
I34 361639.12500000 240076.50000000
L35 539102.75000000 344434.31250000
R36 632051.00000000 353408.93750000
K37 725645.50000000 476061.18750000
E38 1327005.00000000 778341.87500000
T39 463881.75000000 322210.50000000
E40 672919.00000000 491078.12500000
N41 599444.62500000 363725.37500000
G42 304512.25000000 173421.31250000
T43 335496.25000000 231195.50000000
D44 472131.50000000 320574.68750000
I45 610377.50000000 444115.25000000
A46 478264.25000000 331436.93750000
I47 603207.25000000 391752.12500000
K48 588066.62500000 447470.93750000
L49 463251.75000000 382101.87500000
E50 1280775.12500000 706190.12500000
S52 451984.87500000 197218.62500000
G53 1131038.62500000 612275.37500000
T54 623704.25000000 305550.43750000
L55 555543.12500000 333219.93750000
R56 100575.37500000 19554.43750000
Y57 275919.50000000 128557.87500000
D59 378676.62500000 273541.43750000
V60 363641.25000000 308416.37500000
L61 351154.12500000 286583.06250000
Y62 510938.62500000 274363.00000000
E63 945293.75000000 680583.12500000
S64 631841.75000000 402588.31250000
D66 483729.00000000 282773.00000000
T67 431073.75000000 246288.68750000
L68 720542.50000000 479559.50000000
I69 708366.75000000 461361.62500000
A70 666509.00000000 531534.81250000
I71 866079.12500000 659455.81250000
R72 597693.12500000 417498.50000000
T73 638580.37500000 457543.93750000
K74 904010.87500000 681690.43750000
L75 329561.50000000 245273.62500000
E76 446110.25000000 317681.06250000
K77 888743.37500000 574194.00000000
Y79 582009.12500000 494293.25000000
V80 799673.62500000 697433.31250000
I81 422064.75000000 388663.75000000
K82 655766.37500000 532948.81250000
Q84 370495.25000000 258319.87500000
T85 461800.12500000 260322.81250000
M86 630651.00000000 540168.25000000
Q87 493737.37500000 387869.00000000
E88 420226.37500000 315675.43750000
M89 413746.62500000 312091.31250000
G90 419116.12500000 358095.00000000
K91 481532.25000000 426042.18750000
M92 400833.62500000 358766.18750000
A93 491671.12500000 334739.25000000
F94 442103.75000000 340720.37500000
E95 301431.50000000 264615.75000000
I96 361218.12500000 304266.50000000
G97 287131.75000000 254594.75000000
N98 238419.25000000 219665.62500000
R99 398544.12500000 328261.93750000
H100 216141.12500000 166880.62500000
T101 264090.25000000 172049.00000000
M102 404329.12500000 269638.06250000
I104 479599.37500000 404733.50000000
I105 389259.50000000 293842.68750000
E106 669398.00000000 555559.18750000
D107 592683.75000000 398769.87500000
D108 545853.87500000 326726.12500000
E109 501534.37500000 346398.87500000
L111 486916.50000000 419443.81250000
V112 498951.62500000 389438.00000000
Y114 382422.25000000 287063.81250000
D115 683423.87500000 366003.50000000
T117 255691.50000000 193439.18750000
L118 139558.37500000 54173.62500000
E119 443614.12500000 345599.93750000
K120 563195.37500000 326458.62500000
L121 425977.12500000 221674.87500000
I122 371966.37500000 258684.62500000
D123 284981.87500000 244016.50000000
E124 432377.75000000 318896.12500000
G126 476996.62500000 346689.12500000
V127 822399.50000000 496451.75000000
S128 856429.12500000 600978.68750000
Y129 1235399.37500000 1016627.75000000
E130 761012.75000000 544341.68750000
Q131 1191838.12500000 694948.43750000
S132 2150843.37500000 1600486.56250000
E133 830643.25000000 534427.00000000
R134 670438.50000000 506112.06250000
G144 491807.37500000 205743.18750000
H145 770853.50000000 378765.75000000
Q146 528545.50000000 47241.18750000
H147 3909740.50000000 -361397.12500000
SECTION: integral errors
Spectrum [ ]: 0 1
Peak name I0 I1
L2 9880.50311111 8318.18779089
I3 9880.50311111 8318.18779089
T4 9880.50311111 8318.18779089
K5 9880.50311111 8318.18779089
I6 9880.50311111 8318.18779089
V7 9880.50311111 8318.18779089
G8 9880.50311111 8318.18779089
H9 9880.50311111 8318.18779089
I10 9880.50311111 8318.18779089
D11 9880.50311111 8318.18779089
D12 9880.50311111 8318.18779089
E14 9880.50311111 8318.18779089
S15 9880.50311111 8318.18779089
S16 9880.50311111 8318.18779089
D17 9880.50311111 8318.18779089
K18 9880.50311111 8318.18779089
K19 9880.50311111 8318.18779089
V20 9880.50311111 8318.18779089
D21 9880.50311111 8318.18779089
W22 9880.50311111 8318.18779089
L23 9880.50311111 8318.18779089
E24 9880.50311111 8318.18779089
V25 9880.50311111 8318.18779089
E26 9880.50311111 8318.18779089
W27 9880.50311111 8318.18779089
L30 9880.50311111 8318.18779089
K32 9880.50311111 8318.18779089
R33 9880.50311111 8318.18779089
I34 9880.50311111 8318.18779089
L35 9880.50311111 8318.18779089
R36 9880.50311111 8318.18779089
K37 9880.50311111 8318.18779089
E38 9880.50311111 8318.18779089
T39 9880.50311111 8318.18779089
E40 9880.50311111 8318.18779089
N41 9880.50311111 8318.18779089
G42 9880.50311111 8318.18779089
T43 9880.50311111 8318.18779089
D44 9880.50311111 8318.18779089
I45 9880.50311111 8318.18779089
A46 9880.50311111 8318.18779089
I47 9880.50311111 8318.18779089
K48 9880.50311111 8318.18779089
L49 9880.50311111 8318.18779089
E50 9880.50311111 8318.18779089
S52 9880.50311111 8318.18779089
G53 9880.50311111 8318.18779089
T54 9880.50311111 8318.18779089
L55 9880.50311111 8318.18779089
R56 9880.50311111 8318.18779089
Y57 9880.50311111 8318.18779089
D59 9880.50311111 8318.18779089
V60 9880.50311111 8318.18779089
L61 9880.50311111 8318.18779089
Y62 9880.50311111 8318.18779089
E63 9880.50311111 8318.18779089
S64 9880.50311111 8318.18779089
D66 9880.50311111 8318.18779089
T67 9880.50311111 8318.18779089
L68 9880.50311111 8318.18779089
I69 9880.50311111 8318.18779089
A70 9880.50311111 8318.18779089
I71 9880.50311111 8318.18779089
R72 9880.50311111 8318.18779089
T73 9880.50311111 8318.18779089
K74 9880.50311111 8318.18779089
L75 9880.50311111 8318.18779089
E76 9880.50311111 8318.18779089
K77 9880.50311111 8318.18779089
Y79 9880.50311111 8318.18779089
V80 9880.50311111 8318.18779089
I81 9880.50311111 8318.18779089
K82 9880.50311111 8318.18779089
Q84 9880.50311111 8318.18779089
T85 9880.50311111 8318.18779089
M86 9880.50311111 8318.18779089
Q87 9880.50311111 8318.18779089
E88 9880.50311111 8318.18779089
M89 9880.50311111 8318.18779089
G90 9880.50311111 8318.18779089
K91 9880.50311111 8318.18779089
M92 9880.50311111 8318.18779089
A93 9880.50311111 8318.18779089
F94 9880.50311111 8318.18779089
E95 9880.50311111 8318.18779089
I96 9880.50311111 8318.18779089
G97 9880.50311111 8318.18779089
N98 9880.50311111 8318.18779089
R99 9880.50311111 8318.18779089
H100 9880.50311111 8318.18779089
T101 9880.50311111 8318.18779089
M102 9880.50311111 8318.18779089
I104 9880.50311111 8318.18779089
I105 9880.50311111 8318.18779089
E106 9880.50311111 8318.18779089
D107 9880.50311111 8318.18779089
D108 9880.50311111 8318.18779089
E109 9880.50311111 8318.18779089
L111 9880.50311111 8318.18779089
V112 9880.50311111 8318.18779089
Y114 9880.50311111 8318.18779089
D115 9880.50311111 8318.18779089
T117 9880.50311111 8318.18779089
L118 9880.50311111 8318.18779089
E119 9880.50311111 8318.18779089
K120 9880.50311111 8318.18779089
L121 9880.50311111 8318.18779089
I122 9880.50311111 8318.18779089
D123 9880.50311111 8318.18779089
E124 9880.50311111 8318.18779089
G126 9880.50311111 8318.18779089
V127 9880.50311111 8318.18779089
S128 9880.50311111 8318.18779089
Y129 9880.50311111 8318.18779089
E130 9880.50311111 8318.18779089
Q131 9880.50311111 8318.18779089
S132 9880.50311111 8318.18779089
E133 9880.50311111 8318.18779089
R134 9880.50311111 8318.18779089
G144 9880.50311111 8318.18779089
H145 9880.50311111 8318.18779089
Q146 9880.50311111 8318.18779089
H147 9880.50311111 8318.18779089
SECTION: integrals back calculated from fit
Spectrum [ ]: 0 1
Peak name I0 I1
L2 0.00000000 0.00000000
I3 0.00000000 0.00000000
T4 0.00000000 0.00000000
K5 0.00000000 0.00000000
I6 0.00000000 0.00000000
V7 0.00000000 0.00000000
G8 0.00000000 0.00000000
H9 0.00000000 0.00000000
I10 0.00000000 0.00000000
D11 0.00000000 0.00000000
D12 0.00000000 0.00000000
E14 0.00000000 0.00000000
S15 0.00000000 0.00000000
S16 0.00000000 0.00000000
D17 0.00000000 0.00000000
K18 0.00000000 0.00000000
K19 0.00000000 0.00000000
V20 0.00000000 0.00000000
D21 0.00000000 0.00000000
W22 0.00000000 0.00000000
L23 0.00000000 0.00000000
E24 0.00000000 0.00000000
V25 0.00000000 0.00000000
E26 0.00000000 0.00000000
W27 0.00000000 0.00000000
L30 0.00000000 0.00000000
K32 0.00000000 0.00000000
R33 0.00000000 0.00000000
I34 0.00000000 0.00000000
L35 0.00000000 0.00000000
R36 0.00000000 0.00000000
K37 0.00000000 0.00000000
E38 0.00000000 0.00000000
T39 0.00000000 0.00000000
E40 0.00000000 0.00000000
N41 0.00000000 0.00000000
G42 0.00000000 0.00000000
T43 0.00000000 0.00000000
D44 0.00000000 0.00000000
I45 0.00000000 0.00000000
A46 0.00000000 0.00000000
I47 0.00000000 0.00000000
K48 0.00000000 0.00000000
L49 0.00000000 0.00000000
E50 0.00000000 0.00000000
S52 0.00000000 0.00000000
G53 0.00000000 0.00000000
T54 0.00000000 0.00000000
L55 0.00000000 0.00000000
R56 0.00000000 0.00000000
Y57 0.00000000 0.00000000
D59 0.00000000 0.00000000
V60 0.00000000 0.00000000
L61 0.00000000 0.00000000
Y62 0.00000000 0.00000000
E63 0.00000000 0.00000000
S64 0.00000000 0.00000000
D66 0.00000000 0.00000000
T67 0.00000000 0.00000000
L68 0.00000000 0.00000000
I69 0.00000000 0.00000000
A70 0.00000000 0.00000000
I71 0.00000000 0.00000000
R72 0.00000000 0.00000000
T73 0.00000000 0.00000000
K74 0.00000000 0.00000000
L75 0.00000000 0.00000000
E76 0.00000000 0.00000000
K77 0.00000000 0.00000000
Y79 0.00000000 0.00000000
V80 0.00000000 0.00000000
I81 0.00000000 0.00000000
K82 0.00000000 0.00000000
Q84 0.00000000 0.00000000
T85 0.00000000 0.00000000
M86 0.00000000 0.00000000
Q87 0.00000000 0.00000000
E88 0.00000000 0.00000000
M89 0.00000000 0.00000000
G90 0.00000000 0.00000000
K91 0.00000000 0.00000000
M92 0.00000000 0.00000000
A93 0.00000000 0.00000000
F94 0.00000000 0.00000000
E95 0.00000000 0.00000000
I96 0.00000000 0.00000000
G97 0.00000000 0.00000000
N98 0.00000000 0.00000000
R99 0.00000000 0.00000000
H100 0.00000000 0.00000000
T101 0.00000000 0.00000000
M102 0.00000000 0.00000000
I104 0.00000000 0.00000000
I105 0.00000000 0.00000000
E106 0.00000000 0.00000000
D107 0.00000000 0.00000000
D108 0.00000000 0.00000000
E109 0.00000000 0.00000000
L111 0.00000000 0.00000000
V112 0.00000000 0.00000000
Y114 0.00000000 0.00000000
D115 0.00000000 0.00000000
T117 0.00000000 0.00000000
L118 0.00000000 0.00000000
E119 0.00000000 0.00000000
K120 0.00000000 0.00000000
L121 0.00000000 0.00000000
I122 0.00000000 0.00000000
D123 0.00000000 0.00000000
E124 0.00000000 0.00000000
G126 0.00000000 0.00000000
V127 0.00000000 0.00000000
S128 0.00000000 0.00000000
Y129 0.00000000 0.00000000
E130 0.00000000 0.00000000
Q131 0.00000000 0.00000000
S132 0.00000000 0.00000000
E133 0.00000000 0.00000000
R134 0.00000000 0.00000000
G144 0.00000000 0.00000000
H145 0.00000000 0.00000000
Q146 0.00000000 0.00000000
H147 0.00000000 0.00000000
SECTION: details
Random error estimation of data: RMS per spectrum (or trace/plane)
Systematic error estimation of data: none
Used peaks: peaks from
\\psf\Home\Desktop\13-BpUreE-NMR\Manuscript\Figure 7 - Dynamics\Protein
Dynamics Center SC\Anna_assignment_2.xml
Used integrals: peak intensities
SECTION: results
Peak name F1 [ppm] F2 [ppm] NOE [none] error
errorScale
L2 125.914 8.710 0.4020 0.017241
1.0000
I3 129.023 9.054 0.6070 0.015522
1.0000
T4 115.283 8.996 0.7218 0.046197
1.0000
K5 119.852 7.377 0.6817 0.022256
1.0000
I6 120.847 8.462 0.5668 0.0068433
1.0000
V7 119.977 8.271 0.6757 0.024659
1.0000
G8 106.640 7.422 0.7117 0.018049
1.0000
H9 122.650 8.996 0.6626 0.015438
1.0000
I10 118.422 8.576 0.6816 0.0048185
1.0000
D11 122.650 7.918 0.6647 0.047265
1.0000
D12 118.018 8.332 0.6044 0.019367
1.0000
E14 122.277 7.737 0.3441 0.012917
1.0000
S15 113.884 8.379 0.3546 0.015358
1.0000
S16 116.277 7.816 0.2507 0.014886
1.0000
D17 123.863 8.459 0.4205 0.010944
1.0000
K18 119.914 7.810 0.3723 0.010045
1.0000
K19 122.495 7.829 0.4500 0.011790
1.0000
V20 123.334 8.122 0.5293 0.0094980
1.0000
D21 130.204 8.876 0.7858 0.015458
1.0000
W22 122.681 7.886 0.6074 0.010426
1.0000
L23 124.826 9.340 0.7511 0.016012
1.0000
E24 126.287 9.076 0.6518 0.017141
1.0000
V25 116.744 8.408 0.7134 0.016266
1.0000
E26 117.925 8.828 0.6550 0.022059
1.0000
W27 125.417 9.999 0.6462 0.050716
1.0000
L30 114.972 7.317 0.6474 0.041714
1.0000
K32 119.075 7.444 0.6177 0.017428
1.0000
R33 115.780 8.443 0.7589 0.037307
1.0000
I34 117.459 7.002 0.6639 0.029292
1.0000
L35 125.603 8.227 0.6389 0.019370
1.0000
R36 125.666 8.459 0.5591 0.015799
1.0000
K37 127.375 8.879 0.6561 0.014533
1.0000
E38 119.168 7.883 0.5865 0.0076397
1.0000
T39 113.635 8.898 0.6946 0.023247
1.0000
E40 121.624 9.111 0.7298 0.016359
1.0000
N41 115.531 9.009 0.6068 0.017105
1.0000
G42 108.879 8.039 0.5695 0.032980
1.0000
T43 120.598 8.332 0.6891 0.032041
1.0000
D44 128.526 8.646 0.6790 0.022634
1.0000
I45 128.277 8.274 0.7276 0.018012
1.0000
A46 129.210 8.274 0.6930 0.022527
1.0000
I47 123.831 9.152 0.6494 0.017416
1.0000
K48 130.173 8.580 0.7609 0.019066
1.0000
L49 122.526 8.421 0.8248 0.025138
1.0000
E50 120.754 8.462 0.5514 0.0077636
1.0000
S52 112.982 8.319 0.4363 0.020729
1.0000
G53 109.314 8.001 0.5413 0.0087437
1.0000
T54 110.868 7.803 0.4899 0.015430
1.0000
L55 121.811 8.125 0.5998 0.018385
1.0000
R56 121.500 8.939 0.1944 0.084883
1.0000
Y57 121.376 8.866 0.4659 0.034456
1.0000
D59 121.904 8.004 0.7224 0.028944
1.0000
V60 119.946 8.510 0.8481 0.032470
1.0000
L61 125.137 8.996 0.8161 0.032992
1.0000
Y62 115.780 7.224 0.5370 0.019310
1.0000
E63 127.780 7.778 0.7200 0.011579
1.0000
S64 122.401 8.780 0.6372 0.016510
1.0000
D66 113.013 7.924 0.5846 0.020935
1.0000
T67 116.091 7.393 0.5713 0.023320
1.0000
L68 124.018 8.548 0.6656 0.014716
1.0000
I69 120.847 8.443 0.6513 0.014847
1.0000
A70 129.645 7.342 0.7975 0.017191
1.0000
I71 118.391 8.462 0.7614 0.012950
1.0000
R72 120.723 8.821 0.6985 0.018084
1.0000
T73 107.604 6.661 0.7165 0.017105
1.0000
K74 117.707 7.504 0.7541 0.012353
1.0000
L75 122.588 8.274 0.7442 0.033689
1.0000
E76 125.510 8.526 0.7121 0.024422
1.0000
K77 120.132 8.449 0.6461 0.011798
1.0000
Y79 115.718 8.627 0.8493 0.020301
1.0000
V80 121.220 8.946 0.8721 0.014977
1.0000
I81 128.899 9.429 0.9209 0.029208
1.0000
K82 126.350 8.503 0.8127 0.017631
1.0000
Q84 119.324 9.455 0.6972 0.029151
1.0000
T85 106.392 7.167 0.5637 0.021678
1.0000
M86 122.277 9.073 0.8565 0.018816
1.0000
Q87 119.883 8.631 0.7856 0.023043
1.0000
E88 118.267 7.845 0.7512 0.026529
1.0000
M89 117.334 7.902 0.7543 0.026994
1.0000
G90 105.148 8.526 0.8544 0.028277
1.0000
K91 120.505 8.694 0.8848 0.025060
1.0000
M92 116.464 8.242 0.8951 0.030289
1.0000
A93 120.785 8.526 0.6808 0.021758
1.0000
F94 117.614 8.640 0.7707 0.025508
1.0000
E95 117.117 7.803 0.8779 0.039869
1.0000
I96 119.914 7.988 0.8423 0.032576
1.0000
G97 108.754 8.516 0.8867 0.042074
1.0000
N98 119.883 8.176 0.9213 0.051721
1.0000
R99 115.407 6.893 0.8237 0.029199
1.0000
H100 115.998 8.010 0.7721 0.052219
1.0000
T101 117.210 7.498 0.6515 0.039827
1.0000
M102 123.800 8.255 0.6669 0.026245
1.0000
I104 118.889 8.433 0.8439 0.024558
1.0000
I105 127.375 8.583 0.7549 0.028702
1.0000
E106 128.308 8.427 0.8299 0.017449
1.0000
D107 121.842 8.872 0.6728 0.017966
1.0000
D108 112.982 7.966 0.5986 0.018698
1.0000
E109 115.904 7.463 0.6907 0.021453
1.0000
L111 127.438 9.089 0.8614 0.024442
1.0000
V112 115.003 8.141 0.7805 0.022734
1.0000
Y114 121.034 7.829 0.7506 0.029142
1.0000
D115 125.759 5.751 0.5355 0.014425
1.0000
T117 110.930 8.284 0.7565 0.043738
1.0000
L118 121.282 7.959 0.3882 0.065634
1.0000
E119 118.671 7.371 0.7791 0.025548
1.0000
K120 114.599 7.536 0.5797 0.017932
1.0000
L121 119.852 6.874 0.5204 0.022957
1.0000
I122 118.889 7.749 0.6955 0.029006
1.0000
D123 118.111 8.128 0.8563 0.041633
1.0000
E124 120.101 7.740 0.7375 0.025577
1.0000
G126 107.728 8.141 0.7268 0.023038
1.0000
V127 116.029 6.620 0.6037 0.012446
1.0000
S128 120.816 8.627 0.7017 0.012644
1.0000
Y129 118.360 8.122 0.8229 0.0094155
1.0000
E130 117.054 8.602 0.7153 0.014343
1.0000
Q131 122.806 8.977 0.5831 0.0084898
1.0000
S132 118.329 8.583 0.7441 0.0051616
1.0000
E133 121.065 8.335 0.6434 0.012604
1.0000
R134 122.028 8.828 0.7549 0.016665
1.0000
G144 108.506 7.749 0.4183 0.018887
1.0000
H145 118.578 8.106 0.4914 0.012494
1.0000
Q146 121.780 8.271 0.08938 0.015826
1.0000
H147 125.199 7.975 -0.09244 0.0021403
1.0000
Re: [sr #3112] unable to upload PDB