NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
390723 |
1orx   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1orx
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 332
_Distance_constraint_stats_list.Viol_count 802
_Distance_constraint_stats_list.Viol_total 1416.691
_Distance_constraint_stats_list.Viol_max 0.257
_Distance_constraint_stats_list.Viol_rms 0.0359
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0883
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.405 0.102 14 0 "[ . 1 . 2]"
1 2 CYS 8.664 0.225 3 0 "[ . 1 . 2]"
1 3 GLY 1.938 0.113 19 0 "[ . 1 . 2]"
1 4 GLU 6.095 0.196 18 0 "[ . 1 . 2]"
1 5 THR 17.904 0.239 6 0 "[ . 1 . 2]"
1 6 CYS 9.257 0.246 13 0 "[ . 1 . 2]"
1 7 VAL 8.490 0.191 20 0 "[ . 1 . 2]"
1 8 GLY 4.593 0.246 13 0 "[ . 1 . 2]"
1 9 GLY 0.183 0.025 20 0 "[ . 1 . 2]"
1 10 THR 4.940 0.191 20 0 "[ . 1 . 2]"
1 11 CYS 5.565 0.257 18 0 "[ . 1 . 2]"
1 12 ASN 4.436 0.257 18 0 "[ . 1 . 2]"
1 13 THR 3.562 0.209 10 0 "[ . 1 . 2]"
1 14 PRO 3.231 0.156 14 0 "[ . 1 . 2]"
1 15 GLY 3.814 0.171 9 0 "[ . 1 . 2]"
1 16 CYS 7.013 0.171 9 0 "[ . 1 . 2]"
1 17 THR 0.483 0.235 10 0 "[ . 1 . 2]"
1 18 CYS 2.865 0.235 10 0 "[ . 1 . 2]"
1 19 SER 2.086 0.163 7 0 "[ . 1 . 2]"
1 20 TRP 18.450 0.243 15 0 "[ . 1 . 2]"
1 21 PRO 5.694 0.129 18 0 "[ . 1 . 2]"
1 22 VAL 10.493 0.243 15 0 "[ . 1 . 2]"
1 23 CYS 11.425 0.225 3 0 "[ . 1 . 2]"
1 24 THR 0.083 0.056 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 2 CYS H 2.650 . 3.400 2.835 2.174 3.482 0.082 14 0 "[ . 1 . 2]" 1
2 1 1 VAL HA 1 3 GLY H 2.845 . 3.890 3.673 3.157 3.992 0.102 14 0 "[ . 1 . 2]" 1
3 1 1 VAL HB 1 2 CYS H 3.650 . 5.500 3.896 2.646 4.419 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL QG 1 2 CYS H 3.380 . 4.960 2.849 2.023 3.708 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL QG 1 2 CYS HB2 4.945 . 8.090 4.551 3.727 5.530 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL MG1 1 2 CYS H 3.635 . 5.470 3.670 2.032 4.334 . 0 0 "[ . 1 . 2]" 1
7 1 1 VAL MG2 1 2 CYS H 3.635 . 5.470 3.351 2.180 4.283 . 0 0 "[ . 1 . 2]" 1
8 1 2 CYS H 1 3 GLY H 2.595 . 3.390 2.351 2.300 2.399 . 0 0 "[ . 1 . 2]" 1
9 1 2 CYS H 1 3 GLY HA2 3.355 . 4.910 4.633 4.573 4.681 . 0 0 "[ . 1 . 2]" 1
10 1 2 CYS H 1 3 GLY QA 3.270 . 4.740 4.261 4.209 4.293 . 0 0 "[ . 1 . 2]" 1
11 1 2 CYS H 1 3 GLY HA3 3.355 . 4.910 4.976 4.920 5.023 0.113 19 0 "[ . 1 . 2]" 1
12 1 2 CYS H 1 4 GLU H 3.030 . 4.260 4.005 3.694 4.223 . 0 0 "[ . 1 . 2]" 1
13 1 2 CYS H 1 23 CYS HB2 3.620 . 5.440 4.728 4.091 5.003 . 0 0 "[ . 1 . 2]" 1
14 1 2 CYS HA 1 13 THR MG 4.070 . 6.340 3.509 3.228 3.832 . 0 0 "[ . 1 . 2]" 1
15 1 2 CYS HB2 1 3 GLY H 2.890 . 3.980 3.072 2.868 3.314 . 0 0 "[ . 1 . 2]" 1
16 1 2 CYS HB2 1 4 GLU H 2.610 . 3.420 2.671 2.339 2.932 . 0 0 "[ . 1 . 2]" 1
17 1 2 CYS HB2 1 4 GLU HB2 4.570 2.800 6.340 3.943 3.369 4.376 . 0 0 "[ . 1 . 2]" 1
18 1 2 CYS HB2 1 4 GLU HB3 4.570 2.800 6.340 2.931 2.752 3.388 0.048 19 0 "[ . 1 . 2]" 1
19 1 2 CYS HB2 1 4 GLU HG2 4.650 2.800 6.700 5.128 4.479 5.736 . 0 0 "[ . 1 . 2]" 1
20 1 2 CYS HB2 1 4 GLU QG 4.505 2.800 6.410 4.711 4.037 5.074 . 0 0 "[ . 1 . 2]" 1
21 1 2 CYS HB2 1 4 GLU HG3 4.650 2.800 6.700 5.525 4.589 5.923 . 0 0 "[ . 1 . 2]" 1
22 1 2 CYS HB2 1 13 THR MG 4.165 . 6.530 4.040 3.741 4.585 . 0 0 "[ . 1 . 2]" 1
23 1 2 CYS HB2 1 16 CYS HB3 3.310 . 4.820 3.629 3.350 3.853 . 0 0 "[ . 1 . 2]" 1
24 1 2 CYS HB2 1 23 CYS H 3.650 . 5.500 4.346 3.989 4.970 . 0 0 "[ . 1 . 2]" 1
25 1 2 CYS HB2 1 23 CYS HB2 2.505 . 3.210 2.663 2.459 3.085 . 0 0 "[ . 1 . 2]" 1
26 1 2 CYS HB2 1 23 CYS HB3 2.595 . 3.390 3.542 3.472 3.615 0.225 3 0 "[ . 1 . 2]" 1
27 1 2 CYS HB3 1 3 GLY H 2.985 . 4.170 4.124 3.977 4.222 0.052 1 0 "[ . 1 . 2]" 1
28 1 2 CYS HB3 1 4 GLU H 2.795 . 3.790 3.758 3.462 3.870 0.080 14 0 "[ . 1 . 2]" 1
29 1 2 CYS HB3 1 4 GLU HB2 3.400 . 5.000 3.819 3.094 4.238 . 0 0 "[ . 1 . 2]" 1
30 1 2 CYS HB3 1 4 GLU QB 3.280 . 4.760 3.127 2.816 3.463 . 0 0 "[ . 1 . 2]" 1
31 1 2 CYS HB3 1 4 GLU HB3 3.400 . 5.000 3.370 2.872 3.719 . 0 0 "[ . 1 . 2]" 1
32 1 2 CYS HB3 1 4 GLU HG2 4.230 2.800 6.460 5.352 4.364 6.046 . 0 0 "[ . 1 . 2]" 1
33 1 2 CYS HB3 1 4 GLU QG 4.030 2.800 6.160 4.922 4.128 5.378 . 0 0 "[ . 1 . 2]" 1
34 1 2 CYS HB3 1 4 GLU HG3 4.230 2.800 6.460 5.795 5.090 6.231 . 0 0 "[ . 1 . 2]" 1
35 1 2 CYS HB3 1 13 THR HA 3.260 . 5.020 5.163 5.092 5.229 0.209 10 0 "[ . 1 . 2]" 1
36 1 2 CYS HB3 1 13 THR MG 3.360 . 4.920 2.646 2.378 3.175 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLY H 1 4 GLU H 2.550 . 3.300 2.565 2.497 2.754 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLY H 1 22 VAL QG 4.945 . 8.090 5.155 4.971 5.510 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLY H 1 23 CYS HB2 3.650 . 5.500 4.779 4.146 5.025 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLY HA2 1 4 GLU H 2.610 . 3.420 2.958 2.853 3.098 . 0 0 "[ . 1 . 2]" 1
41 1 3 GLY HA3 1 4 GLU H 2.610 . 3.420 3.426 3.336 3.475 0.055 14 0 "[ . 1 . 2]" 1
42 1 4 GLU H 1 5 THR H 3.310 . 4.820 4.465 4.397 4.548 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU H 1 5 THR HA 3.650 . 5.500 4.921 4.755 5.152 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU H 1 5 THR MG 4.165 . 6.530 4.753 4.429 5.124 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLU H 1 13 THR MG 4.165 . 6.530 5.772 5.396 6.349 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLU H 1 22 VAL MG1 4.165 . 6.530 4.840 4.568 5.169 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLU H 1 22 VAL MG2 4.165 . 6.530 6.322 6.115 6.549 0.019 3 0 "[ . 1 . 2]" 1
48 1 4 GLU H 1 23 CYS H 3.650 . 5.500 3.505 3.357 3.704 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU H 1 23 CYS HB2 3.200 . 4.600 3.160 2.786 3.454 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU H 1 23 CYS HB3 3.650 . 5.500 4.830 4.402 5.171 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU HA 1 5 THR H 2.145 . 2.490 2.302 2.251 2.408 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU QB 1 5 THR H 2.580 . 3.360 3.454 3.390 3.528 0.168 12 0 "[ . 1 . 2]" 1
53 1 4 GLU QB 1 23 CYS H 4.090 . 6.380 3.701 3.349 3.881 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLU QB 1 23 CYS HB3 3.350 . 4.900 3.609 3.212 3.904 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU HB2 1 5 THR H 2.675 . 4.150 3.883 3.689 3.985 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU HB2 1 12 ASN H 4.650 2.800 6.500 4.772 4.426 4.919 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU HB2 1 23 CYS HB2 2.955 . 4.110 4.008 3.599 4.183 0.073 14 0 "[ . 1 . 2]" 1
58 1 4 GLU HB2 1 23 CYS HB3 3.650 . 5.500 5.311 4.899 5.558 0.058 13 0 "[ . 1 . 2]" 1
59 1 4 GLU HB3 1 5 THR H 2.675 . 4.150 3.891 3.692 4.095 . 0 0 "[ . 1 . 2]" 1
60 1 4 GLU HB3 1 12 ASN H 4.650 2.800 6.500 4.627 4.070 4.940 . 0 0 "[ . 1 . 2]" 1
61 1 4 GLU HB3 1 23 CYS HB2 2.955 . 4.110 2.308 1.919 2.553 . 0 0 "[ . 1 . 2]" 1
62 1 4 GLU HB3 1 23 CYS HB3 3.650 . 5.500 3.672 3.257 3.993 . 0 0 "[ . 1 . 2]" 1
63 1 4 GLU QG 1 5 THR H 2.770 . 3.740 2.329 2.047 2.713 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLU QG 1 23 CYS H 4.090 . 6.380 3.994 3.404 4.542 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLU QG 1 23 CYS HB2 3.105 . 4.410 3.348 2.550 3.902 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLU QG 1 23 CYS HB3 3.405 . 5.010 4.251 3.389 4.761 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLU HG2 1 5 THR H 2.890 . 3.980 3.142 2.140 4.044 0.064 19 0 "[ . 1 . 2]" 1
68 1 4 GLU HG2 1 12 ASN H 4.650 2.800 6.500 3.333 2.604 3.936 0.196 18 0 "[ . 1 . 2]" 1
69 1 4 GLU HG2 1 23 CYS HB2 3.230 . 4.660 3.688 3.127 4.719 0.059 20 0 "[ . 1 . 2]" 1
70 1 4 GLU HG3 1 5 THR H 2.890 . 3.980 2.506 2.313 2.757 . 0 0 "[ . 1 . 2]" 1
71 1 4 GLU HG3 1 12 ASN H 4.650 2.800 6.500 3.925 3.398 4.229 . 0 0 "[ . 1 . 2]" 1
72 1 4 GLU HG3 1 23 CYS HB2 3.230 . 4.660 4.212 2.702 4.852 0.192 6 0 "[ . 1 . 2]" 1
73 1 5 THR H 1 6 CYS H 3.385 . 4.970 4.470 4.436 4.519 . 0 0 "[ . 1 . 2]" 1
74 1 5 THR H 1 7 VAL MG1 4.915 . 8.030 7.488 7.381 7.597 . 0 0 "[ . 1 . 2]" 1
75 1 5 THR H 1 7 VAL MG2 4.915 . 8.030 4.964 4.858 5.073 . 0 0 "[ . 1 . 2]" 1
76 1 5 THR H 1 22 VAL HA 3.400 . 5.000 4.576 4.522 4.612 . 0 0 "[ . 1 . 2]" 1
77 1 5 THR H 1 22 VAL MG1 4.165 . 6.830 5.277 5.156 5.371 . 0 0 "[ . 1 . 2]" 1
78 1 5 THR H 1 22 VAL MG2 4.165 . 6.830 6.936 6.901 6.958 0.128 19 0 "[ . 1 . 2]" 1
79 1 5 THR H 1 23 CYS HB2 3.650 . 5.500 5.032 4.765 5.205 . 0 0 "[ . 1 . 2]" 1
80 1 5 THR HA 1 6 CYS H 2.195 . 2.590 2.224 2.199 2.261 . 0 0 "[ . 1 . 2]" 1
81 1 5 THR HA 1 7 VAL H 3.370 . 4.940 4.060 4.012 4.113 . 0 0 "[ . 1 . 2]" 1
82 1 5 THR HA 1 22 VAL HA 2.815 . 3.830 1.986 1.939 2.057 . 0 0 "[ . 1 . 2]" 1
83 1 5 THR HA 1 22 VAL MG1 4.165 . 6.530 3.481 3.378 3.562 . 0 0 "[ . 1 . 2]" 1
84 1 5 THR HA 1 22 VAL MG2 4.165 . 6.530 4.627 4.596 4.670 . 0 0 "[ . 1 . 2]" 1
85 1 5 THR HA 1 23 CYS H 2.365 . 2.930 2.861 2.808 2.894 . 0 0 "[ . 1 . 2]" 1
86 1 5 THR HB 1 6 CYS H 2.240 . 2.680 2.792 2.718 2.829 0.149 4 0 "[ . 1 . 2]" 1
87 1 5 THR HB 1 7 VAL H 2.750 . 3.700 2.710 2.634 2.772 . 0 0 "[ . 1 . 2]" 1
88 1 5 THR HB 1 7 VAL MG1 4.165 . 6.530 4.731 4.698 4.791 . 0 0 "[ . 1 . 2]" 1
89 1 5 THR HB 1 7 VAL MG2 4.165 . 6.530 1.980 1.877 2.143 . 0 0 "[ . 1 . 2]" 1
90 1 5 THR HB 1 20 TRP HE1 4.150 . 6.500 6.720 6.695 6.739 0.239 6 0 "[ . 1 . 2]" 1
91 1 5 THR HB 1 21 PRO HB2 3.650 . 5.500 4.026 3.882 4.200 . 0 0 "[ . 1 . 2]" 1
92 1 5 THR HB 1 22 VAL MG1 4.165 . 6.530 4.265 4.186 4.338 . 0 0 "[ . 1 . 2]" 1
93 1 5 THR HB 1 22 VAL MG2 4.165 . 6.530 5.566 5.445 5.676 . 0 0 "[ . 1 . 2]" 1
94 1 5 THR HB 1 23 CYS H 3.450 . 5.100 5.264 5.226 5.291 0.191 20 0 "[ . 1 . 2]" 1
95 1 5 THR MG 1 6 CYS H 3.325 . 4.850 3.890 3.856 3.915 . 0 0 "[ . 1 . 2]" 1
96 1 5 THR MG 1 7 VAL H 4.165 . 6.530 4.313 4.255 4.374 . 0 0 "[ . 1 . 2]" 1
97 1 5 THR MG 1 20 TRP HD1 4.665 . 7.530 7.581 7.562 7.596 0.066 13 0 "[ . 1 . 2]" 1
98 1 5 THR MG 1 20 TRP HE3 4.665 . 7.530 7.542 7.526 7.562 0.032 15 0 "[ . 1 . 2]" 1
99 1 5 THR MG 1 20 TRP HH2 4.665 . 7.530 7.527 7.481 7.554 0.024 19 0 "[ . 1 . 2]" 1
100 1 5 THR MG 1 20 TRP HZ2 4.665 . 7.530 7.252 7.188 7.283 . 0 0 "[ . 1 . 2]" 1
101 1 5 THR MG 1 20 TRP HZ3 4.665 . 7.530 7.657 7.638 7.670 0.140 18 0 "[ . 1 . 2]" 1
102 1 5 THR MG 1 21 PRO HA 4.165 . 6.530 3.807 3.777 3.840 . 0 0 "[ . 1 . 2]" 1
103 1 5 THR MG 1 22 VAL H 4.165 . 6.530 4.715 4.662 4.770 . 0 0 "[ . 1 . 2]" 1
104 1 5 THR MG 1 22 VAL HA 3.435 . 5.070 3.135 3.055 3.236 . 0 0 "[ . 1 . 2]" 1
105 1 5 THR MG 1 23 CYS H 3.745 . 5.690 4.252 4.191 4.342 . 0 0 "[ . 1 . 2]" 1
106 1 6 CYS H 1 7 VAL H 2.675 . 3.550 2.726 2.620 2.793 . 0 0 "[ . 1 . 2]" 1
107 1 6 CYS H 1 7 VAL HA 3.355 . 4.910 4.279 4.231 4.313 . 0 0 "[ . 1 . 2]" 1
108 1 6 CYS H 1 7 VAL HB 3.650 . 5.500 5.335 5.210 5.428 . 0 0 "[ . 1 . 2]" 1
109 1 6 CYS H 1 7 VAL MG1 4.165 . 6.530 5.514 5.428 5.558 . 0 0 "[ . 1 . 2]" 1
110 1 6 CYS H 1 7 VAL QG 3.945 . 6.090 3.299 3.114 3.437 . 0 0 "[ . 1 . 2]" 1
111 1 6 CYS H 1 7 VAL MG2 4.165 . 6.530 3.325 3.132 3.471 . 0 0 "[ . 1 . 2]" 1
112 1 6 CYS H 1 20 TRP HA 4.500 2.300 6.700 4.981 4.904 5.041 . 0 0 "[ . 1 . 2]" 1
113 1 6 CYS H 1 21 PRO HA 2.955 . 4.110 3.029 2.935 3.121 . 0 0 "[ . 1 . 2]" 1
114 1 6 CYS H 1 21 PRO HB2 3.650 . 5.500 5.055 4.964 5.154 . 0 0 "[ . 1 . 2]" 1
115 1 6 CYS H 1 21 PRO HB3 3.650 . 5.500 5.317 5.228 5.411 . 0 0 "[ . 1 . 2]" 1
116 1 6 CYS H 1 22 VAL HA 2.470 . 3.140 3.226 3.200 3.258 0.118 14 0 "[ . 1 . 2]" 1
117 1 6 CYS H 1 23 CYS H 2.905 . 4.010 3.933 3.827 4.019 0.009 13 0 "[ . 1 . 2]" 1
118 1 6 CYS HA 1 7 VAL H 2.335 . 2.870 2.701 2.676 2.728 . 0 0 "[ . 1 . 2]" 1
119 1 6 CYS HA 1 9 GLY H 2.905 . 4.010 3.998 3.883 4.035 0.025 20 0 "[ . 1 . 2]" 1
120 1 6 CYS HA 1 10 THR H 2.845 . 3.890 2.809 2.733 2.932 . 0 0 "[ . 1 . 2]" 1
121 1 6 CYS HB2 1 7 VAL H 3.045 . 4.690 4.342 4.331 4.352 . 0 0 "[ . 1 . 2]" 1
122 1 6 CYS HB2 1 9 GLY H 2.675 . 4.150 3.335 3.164 3.445 . 0 0 "[ . 1 . 2]" 1
123 1 6 CYS HB2 1 10 THR H 2.675 . 3.550 2.328 2.228 2.527 . 0 0 "[ . 1 . 2]" 1
124 1 6 CYS HB2 1 20 TRP HD1 4.150 . 6.500 5.591 5.529 5.696 . 0 0 "[ . 1 . 2]" 1
125 1 6 CYS HB3 1 7 VAL H 2.920 . 4.540 4.565 4.557 4.571 0.031 10 0 "[ . 1 . 2]" 1
126 1 6 CYS HB3 1 8 GLY H 2.970 . 4.740 4.970 4.959 4.986 0.246 13 0 "[ . 1 . 2]" 1
127 1 6 CYS HB3 1 10 THR H 2.765 . 3.730 3.295 3.230 3.448 . 0 0 "[ . 1 . 2]" 1
128 1 6 CYS HB3 1 11 CYS H 3.650 . 5.500 4.308 4.133 4.399 . 0 0 "[ . 1 . 2]" 1
129 1 7 VAL H 1 8 GLY QA 3.795 . 5.790 4.612 4.580 4.671 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL H 1 9 GLY H 3.325 . 4.850 4.276 4.237 4.302 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL H 1 10 THR H 3.185 . 4.570 4.725 4.703 4.761 0.191 20 0 "[ . 1 . 2]" 1
132 1 7 VAL H 1 20 TRP HE1 4.150 . 6.500 5.357 5.309 5.392 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL H 1 21 PRO HB2 3.650 . 5.500 5.559 5.529 5.619 0.119 3 0 "[ . 1 . 2]" 1
134 1 7 VAL H 1 21 PRO HB3 3.650 . 5.500 5.352 5.320 5.394 . 0 0 "[ . 1 . 2]" 1
135 1 7 VAL H 1 22 VAL MG1 4.165 . 6.530 6.125 5.969 6.230 . 0 0 "[ . 1 . 2]" 1
136 1 7 VAL H 1 22 VAL MG2 4.165 . 6.530 6.644 6.623 6.677 0.147 15 0 "[ . 1 . 2]" 1
137 1 7 VAL HA 1 20 TRP HD1 3.625 . 5.450 2.938 2.815 2.998 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL HA 1 20 TRP HE1 3.065 . 4.330 2.636 2.601 2.662 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL HA 1 20 TRP HE3 4.150 . 6.500 6.335 6.248 6.380 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL HA 1 20 TRP HH2 4.150 . 6.500 6.569 6.554 6.583 0.083 13 0 "[ . 1 . 2]" 1
141 1 7 VAL HA 1 20 TRP HZ2 3.715 . 5.630 4.697 4.680 4.719 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL HA 1 21 PRO HA 2.875 . 3.950 3.016 2.933 3.073 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL HA 1 21 PRO HB2 4.150 . 6.500 5.329 5.249 5.407 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL HA 1 21 PRO HB3 3.370 . 4.940 4.257 4.170 4.345 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL HB 1 8 GLY H 2.860 . 3.920 3.073 3.053 3.092 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL HB 1 9 GLY H 3.635 . 5.470 5.013 4.955 5.063 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL HB 1 20 TRP HZ2 4.150 . 6.700 5.879 5.784 5.943 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL QG 1 8 GLY QA 4.285 . 6.770 3.623 3.592 3.685 . 0 0 "[ . 1 . 2]" 1
149 1 7 VAL QG 1 20 TRP HE1 4.390 . 6.980 2.223 2.062 2.380 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL QG 1 20 TRP HH2 4.320 . 6.840 4.362 4.283 4.451 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL QG 1 20 TRP HZ2 3.815 . 5.830 2.778 2.672 2.863 . 0 0 "[ . 1 . 2]" 1
152 1 7 VAL QG 1 21 PRO HA 3.950 . 6.100 2.058 1.801 2.237 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL MG1 1 8 GLY H 4.165 . 6.530 3.926 3.901 3.951 . 0 0 "[ . 1 . 2]" 1
154 1 7 VAL MG1 1 8 GLY HA2 5.040 . 8.280 3.928 3.874 4.029 . 0 0 "[ . 1 . 2]" 1
155 1 7 VAL MG1 1 8 GLY HA3 5.040 . 8.280 4.659 4.573 4.723 . 0 0 "[ . 1 . 2]" 1
156 1 7 VAL MG1 1 9 GLY H 4.165 . 6.530 4.665 4.590 4.817 . 0 0 "[ . 1 . 2]" 1
157 1 7 VAL MG1 1 20 TRP HD1 4.665 . 7.530 4.028 3.864 4.149 . 0 0 "[ . 1 . 2]" 1
158 1 7 VAL MG1 1 20 TRP HE1 4.600 . 7.400 2.240 2.073 2.406 . 0 0 "[ . 1 . 2]" 1
159 1 7 VAL MG1 1 20 TRP HE3 4.665 . 7.530 6.065 5.951 6.162 . 0 0 "[ . 1 . 2]" 1
160 1 7 VAL MG1 1 20 TRP HH2 4.495 . 7.190 4.708 4.640 4.806 . 0 0 "[ . 1 . 2]" 1
161 1 7 VAL MG1 1 20 TRP HZ2 4.135 . 6.470 2.833 2.725 2.937 . 0 0 "[ . 1 . 2]" 1
162 1 7 VAL MG1 1 20 TRP HZ3 4.665 . 7.530 6.017 5.935 6.093 . 0 0 "[ . 1 . 2]" 1
163 1 7 VAL MG1 1 21 PRO HA 4.165 . 6.530 3.869 3.802 3.948 . 0 0 "[ . 1 . 2]" 1
164 1 7 VAL MG1 1 21 PRO HB3 4.165 . 6.530 3.929 3.861 4.008 . 0 0 "[ . 1 . 2]" 1
165 1 7 VAL MG1 1 22 VAL H 4.165 . 6.530 6.501 6.439 6.543 0.013 7 0 "[ . 1 . 2]" 1
166 1 7 VAL MG2 1 8 GLY H 4.165 . 6.530 3.854 3.830 3.889 . 0 0 "[ . 1 . 2]" 1
167 1 7 VAL MG2 1 8 GLY HA2 5.040 . 8.280 5.481 5.468 5.498 . 0 0 "[ . 1 . 2]" 1
168 1 7 VAL MG2 1 8 GLY HA3 5.040 . 8.280 5.537 5.527 5.548 . 0 0 "[ . 1 . 2]" 1
169 1 7 VAL MG2 1 9 GLY H 4.165 . 6.530 5.100 5.065 5.146 . 0 0 "[ . 1 . 2]" 1
170 1 7 VAL MG2 1 20 TRP HD1 4.665 . 7.530 4.663 4.546 4.742 . 0 0 "[ . 1 . 2]" 1
171 1 7 VAL MG2 1 20 TRP HE1 4.600 . 7.400 3.756 3.669 3.882 . 0 0 "[ . 1 . 2]" 1
172 1 7 VAL MG2 1 20 TRP HE3 4.665 . 7.530 5.856 5.718 6.013 . 0 0 "[ . 1 . 2]" 1
173 1 7 VAL MG2 1 20 TRP HH2 4.495 . 7.190 5.157 5.015 5.272 . 0 0 "[ . 1 . 2]" 1
174 1 7 VAL MG2 1 20 TRP HZ2 4.135 . 6.470 4.015 3.845 4.144 . 0 0 "[ . 1 . 2]" 1
175 1 7 VAL MG2 1 20 TRP HZ3 4.665 . 7.530 5.964 5.816 6.105 . 0 0 "[ . 1 . 2]" 1
176 1 7 VAL MG2 1 21 PRO HA 4.165 . 6.530 2.067 1.804 2.250 . 0 0 "[ . 1 . 2]" 1
177 1 7 VAL MG2 1 21 PRO HB3 4.165 . 6.530 2.892 2.742 3.088 . 0 0 "[ . 1 . 2]" 1
178 1 7 VAL MG2 1 22 VAL H 4.165 . 6.530 4.725 4.621 4.844 . 0 0 "[ . 1 . 2]" 1
179 1 8 GLY H 1 9 GLY H 2.875 . 3.950 2.586 2.516 2.616 . 0 0 "[ . 1 . 2]" 1
180 1 8 GLY H 1 10 THR H 3.650 . 5.500 3.205 3.107 3.249 . 0 0 "[ . 1 . 2]" 1
181 1 8 GLY H 1 20 TRP HE1 4.150 . 6.500 5.646 5.579 5.701 . 0 0 "[ . 1 . 2]" 1
182 1 8 GLY QA 1 20 TRP HE1 4.590 . 7.380 5.292 5.126 5.390 . 0 0 "[ . 1 . 2]" 1
183 1 8 GLY HA2 1 9 GLY H 2.690 . 3.580 2.989 2.968 3.012 . 0 0 "[ . 1 . 2]" 1
184 1 8 GLY HA2 1 10 THR H 3.325 . 4.850 4.718 4.616 4.765 . 0 0 "[ . 1 . 2]" 1
185 1 8 GLY HA3 1 9 GLY H 2.690 . 3.580 3.448 3.435 3.458 . 0 0 "[ . 1 . 2]" 1
186 1 8 GLY HA3 1 10 THR H 3.325 . 4.850 4.063 3.909 4.135 . 0 0 "[ . 1 . 2]" 1
187 1 9 GLY H 1 10 THR H 2.470 . 3.140 2.730 2.666 2.765 . 0 0 "[ . 1 . 2]" 1
188 1 9 GLY H 1 20 TRP HD1 3.870 . 5.940 4.148 4.027 4.255 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLY H 1 20 TRP HE1 4.150 . 6.500 5.245 5.162 5.373 . 0 0 "[ . 1 . 2]" 1
190 1 9 GLY QA 1 18 CYS HB2 3.730 . 5.660 4.989 4.604 5.256 . 0 0 "[ . 1 . 2]" 1
191 1 9 GLY QA 1 18 CYS HB3 4.025 . 6.250 4.788 4.402 5.089 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLY QA 1 20 TRP HD1 3.505 . 5.210 4.669 4.532 4.809 . 0 0 "[ . 1 . 2]" 1
193 1 10 THR H 1 11 CYS H 3.155 . 4.510 4.291 4.262 4.304 . 0 0 "[ . 1 . 2]" 1
194 1 10 THR HA 1 11 CYS H 2.300 . 2.800 2.169 2.140 2.186 . 0 0 "[ . 1 . 2]" 1
195 1 10 THR HB 1 11 CYS H 2.425 . 3.050 3.098 3.066 3.155 0.105 17 0 "[ . 1 . 2]" 1
196 1 10 THR HB 1 12 ASN H 3.650 . 5.500 5.083 4.710 5.336 . 0 0 "[ . 1 . 2]" 1
197 1 10 THR MG 1 11 CYS H 3.265 . 4.730 3.364 3.011 3.811 . 0 0 "[ . 1 . 2]" 1
198 1 10 THR MG 1 12 ASN H 4.165 . 6.530 6.036 5.624 6.385 . 0 0 "[ . 1 . 2]" 1
199 1 10 THR MG 1 12 ASN HD21 4.165 . 6.530 6.396 5.285 6.638 0.108 17 0 "[ . 1 . 2]" 1
200 1 10 THR MG 1 12 ASN HD22 4.165 . 6.530 5.970 5.562 6.081 . 0 0 "[ . 1 . 2]" 1
201 1 11 CYS H 1 12 ASN H 3.125 . 4.450 4.285 4.169 4.407 . 0 0 "[ . 1 . 2]" 1
202 1 11 CYS H 1 18 CYS HB2 3.385 . 4.970 5.061 5.015 5.120 0.150 18 0 "[ . 1 . 2]" 1
203 1 11 CYS HA 1 12 ASN H 2.395 . 2.990 2.136 2.061 2.198 . 0 0 "[ . 1 . 2]" 1
204 1 11 CYS HB2 1 12 ASN H 2.765 . 4.030 4.152 4.091 4.287 0.257 18 0 "[ . 1 . 2]" 1
205 1 11 CYS HB2 1 13 THR H 3.650 . 5.500 4.444 4.098 4.758 . 0 0 "[ . 1 . 2]" 1
206 1 11 CYS HB3 1 12 ASN H 2.595 . 3.590 3.187 3.034 3.394 . 0 0 "[ . 1 . 2]" 1
207 1 11 CYS HB3 1 13 THR H 3.465 . 5.130 3.100 2.866 3.276 . 0 0 "[ . 1 . 2]" 1
208 1 11 CYS HB3 1 16 CYS HB2 2.720 . 3.640 3.294 2.775 3.723 0.083 3 0 "[ . 1 . 2]" 1
209 1 12 ASN H 1 13 THR H 2.270 . 2.740 2.390 2.279 2.591 . 0 0 "[ . 1 . 2]" 1
210 1 12 ASN H 1 13 THR HA 3.590 . 5.380 5.052 4.960 5.221 . 0 0 "[ . 1 . 2]" 1
211 1 12 ASN H 1 13 THR HB 3.650 . 5.500 5.025 4.824 5.253 . 0 0 "[ . 1 . 2]" 1
212 1 12 ASN H 1 13 THR MG 4.165 . 6.530 5.645 5.544 5.867 . 0 0 "[ . 1 . 2]" 1
213 1 12 ASN QB 1 13 THR HA 3.640 . 5.480 3.937 3.889 4.031 . 0 0 "[ . 1 . 2]" 1
214 1 12 ASN QB 1 13 THR MG 4.600 . 7.400 4.766 4.621 4.920 . 0 0 "[ . 1 . 2]" 1
215 1 13 THR H 1 14 PRO HD3 3.650 . 5.500 4.402 4.264 4.762 . 0 0 "[ . 1 . 2]" 1
216 1 13 THR HA 1 14 PRO HB3 3.650 . 5.500 5.331 4.956 5.481 . 0 0 "[ . 1 . 2]" 1
217 1 13 THR HA 1 14 PRO HD2 2.335 . 2.870 2.426 1.923 2.683 . 0 0 "[ . 1 . 2]" 1
218 1 13 THR HA 1 14 PRO HD3 2.225 . 2.650 2.033 1.840 2.530 . 0 0 "[ . 1 . 2]" 1
219 1 13 THR HA 1 14 PRO HG2 3.650 . 5.500 4.334 4.125 4.409 . 0 0 "[ . 1 . 2]" 1
220 1 13 THR HA 1 14 PRO HG3 3.570 . 5.340 4.155 4.011 4.394 . 0 0 "[ . 1 . 2]" 1
221 1 13 THR HB 1 15 GLY H 3.435 . 5.070 4.501 3.935 5.218 0.148 4 0 "[ . 1 . 2]" 1
222 1 13 THR MG 1 14 PRO HA 3.435 . 5.070 4.756 4.542 4.912 . 0 0 "[ . 1 . 2]" 1
223 1 13 THR MG 1 14 PRO HB3 4.165 . 6.530 5.469 5.215 5.700 . 0 0 "[ . 1 . 2]" 1
224 1 13 THR MG 1 14 PRO HD2 2.815 . 3.830 2.500 2.150 2.823 . 0 0 "[ . 1 . 2]" 1
225 1 13 THR MG 1 14 PRO HD3 3.205 . 4.610 3.317 3.049 3.754 . 0 0 "[ . 1 . 2]" 1
226 1 13 THR MG 1 14 PRO HG2 3.715 . 5.630 4.347 3.474 4.785 . 0 0 "[ . 1 . 2]" 1
227 1 13 THR MG 1 14 PRO HG3 3.635 . 5.470 4.817 4.454 5.070 . 0 0 "[ . 1 . 2]" 1
228 1 13 THR MG 1 15 GLY H 4.165 . 6.530 3.391 2.449 5.269 . 0 0 "[ . 1 . 2]" 1
229 1 13 THR MG 1 16 CYS H 4.165 . 6.530 4.218 3.898 4.489 . 0 0 "[ . 1 . 2]" 1
230 1 13 THR MG 1 16 CYS HB3 4.165 . 6.530 4.575 4.025 5.318 . 0 0 "[ . 1 . 2]" 1
231 1 14 PRO HA 1 15 GLY H 2.325 . 3.850 3.193 2.125 3.569 . 0 0 "[ . 1 . 2]" 1
232 1 14 PRO HA 1 16 CYS H 2.640 . 3.480 3.558 3.452 3.636 0.156 14 0 "[ . 1 . 2]" 1
233 1 14 PRO HB2 1 15 GLY H 3.000 . 4.200 3.007 2.475 4.026 . 0 0 "[ . 1 . 2]" 1
234 1 14 PRO HB2 1 16 CYS H 3.495 . 5.190 4.806 4.642 5.210 0.020 13 0 "[ . 1 . 2]" 1
235 1 14 PRO HB3 1 15 GLY H 2.845 . 3.890 3.915 3.802 4.045 0.155 20 0 "[ . 1 . 2]" 1
236 1 14 PRO HB3 1 16 CYS H 3.570 . 5.340 5.298 5.134 5.455 0.115 11 0 "[ . 1 . 2]" 1
237 1 14 PRO HD2 1 15 GLY H 3.650 . 5.500 3.366 2.560 5.246 . 0 0 "[ . 1 . 2]" 1
238 1 14 PRO HG3 1 15 GLY H 3.650 . 5.500 4.525 3.807 5.298 . 0 0 "[ . 1 . 2]" 1
239 1 15 GLY H 1 16 CYS H 2.660 . 3.520 2.980 2.205 3.337 . 0 0 "[ . 1 . 2]" 1
240 1 15 GLY QA 1 16 CYS H 2.485 . 3.170 2.755 2.636 2.895 . 0 0 "[ . 1 . 2]" 1
241 1 15 GLY HA2 1 16 CYS H 2.580 . 3.360 2.948 2.722 3.357 . 0 0 "[ . 1 . 2]" 1
242 1 15 GLY HA3 1 16 CYS H 2.580 . 3.360 3.424 3.121 3.531 0.171 9 0 "[ . 1 . 2]" 1
243 1 16 CYS H 1 17 THR MG 4.165 . 6.530 5.695 4.660 6.432 . 0 0 "[ . 1 . 2]" 1
244 1 16 CYS HA 1 17 THR MG 4.165 . 6.530 3.973 3.617 5.298 . 0 0 "[ . 1 . 2]" 1
245 1 16 CYS HA 1 23 CYS HB3 3.650 . 5.500 4.582 4.451 4.684 . 0 0 "[ . 1 . 2]" 1
246 1 16 CYS HB2 1 23 CYS HB3 2.720 . 3.640 2.845 2.472 3.099 . 0 0 "[ . 1 . 2]" 1
247 1 16 CYS HB3 1 17 THR H 3.650 . 5.500 3.130 2.946 3.288 . 0 0 "[ . 1 . 2]" 1
248 1 16 CYS HB3 1 23 CYS HB2 2.520 . 3.240 3.343 3.272 3.409 0.169 1 0 "[ . 1 . 2]" 1
249 1 17 THR HA 1 18 CYS H 2.440 . 3.080 2.767 2.154 3.079 . 0 0 "[ . 1 . 2]" 1
250 1 17 THR HB 1 18 CYS H 2.705 . 3.610 3.478 2.005 3.845 0.235 10 0 "[ . 1 . 2]" 1
251 1 17 THR MG 1 18 CYS H 3.900 . 6.000 2.711 2.047 3.996 . 0 0 "[ . 1 . 2]" 1
252 1 17 THR MG 1 19 SER H 4.165 . 6.530 4.687 4.152 6.553 0.023 9 0 "[ . 1 . 2]" 1
253 1 18 CYS HA 1 19 SER H 2.240 . 2.680 2.113 2.084 2.131 . 0 0 "[ . 1 . 2]" 1
254 1 18 CYS HA 1 23 CYS HA 2.905 . 3.810 2.277 2.135 2.507 . 0 0 "[ . 1 . 2]" 1
255 1 18 CYS HB2 1 19 SER H 2.920 . 4.040 4.069 4.038 4.120 0.080 10 0 "[ . 1 . 2]" 1
256 1 18 CYS HB3 1 19 SER H 3.155 . 4.510 4.218 4.175 4.250 . 0 0 "[ . 1 . 2]" 1
257 1 19 SER H 1 20 TRP H 3.170 . 4.540 2.173 2.109 2.214 . 0 0 "[ . 1 . 2]" 1
258 1 19 SER H 1 22 VAL H 3.170 . 4.540 3.506 3.426 3.555 . 0 0 "[ . 1 . 2]" 1
259 1 19 SER H 1 23 CYS HA 2.625 . 3.450 3.518 3.415 3.613 0.163 7 0 "[ . 1 . 2]" 1
260 1 19 SER H 1 24 THR MG 4.825 2.800 6.850 5.263 3.427 6.767 . 0 0 "[ . 1 . 2]" 1
261 1 19 SER HA 1 20 TRP H 3.170 . 4.540 3.502 3.493 3.512 . 0 0 "[ . 1 . 2]" 1
262 1 19 SER QB 1 22 VAL H 3.780 . 5.760 3.555 3.349 4.513 . 0 0 "[ . 1 . 2]" 1
263 1 19 SER QB 1 22 VAL MG1 4.600 . 7.400 4.930 4.682 5.669 . 0 0 "[ . 1 . 2]" 1
264 1 19 SER QB 1 22 VAL QG 4.145 . 6.490 2.612 2.345 3.414 . 0 0 "[ . 1 . 2]" 1
265 1 19 SER QB 1 22 VAL MG2 4.600 . 7.400 2.623 2.352 3.442 . 0 0 "[ . 1 . 2]" 1
266 1 19 SER QB 1 24 THR MG 4.780 2.800 6.760 5.041 3.685 6.816 0.056 19 0 "[ . 1 . 2]" 1
267 1 20 TRP HA 1 21 PRO HA 4.165 . 6.530 4.564 4.551 4.575 . 0 0 "[ . 1 . 2]" 1
268 1 20 TRP HA 1 21 PRO HB3 3.650 . 5.500 5.536 5.524 5.547 0.047 15 0 "[ . 1 . 2]" 1
269 1 20 TRP HA 1 22 VAL H 4.165 . 6.530 4.130 4.080 4.239 . 0 0 "[ . 1 . 2]" 1
270 1 20 TRP HA 1 22 VAL MG1 4.165 . 6.530 6.721 6.698 6.773 0.243 15 0 "[ . 1 . 2]" 1
271 1 20 TRP HA 1 22 VAL MG2 4.165 . 6.530 5.219 5.113 5.448 . 0 0 "[ . 1 . 2]" 1
272 1 20 TRP HD1 1 21 PRO HA 3.545 . 5.290 4.497 4.478 4.527 . 0 0 "[ . 1 . 2]" 1
273 1 20 TRP HD1 1 21 PRO HB2 4.150 . 6.500 6.482 6.449 6.518 0.018 18 0 "[ . 1 . 2]" 1
274 1 20 TRP HD1 1 21 PRO HB3 4.150 . 6.500 5.045 5.006 5.090 . 0 0 "[ . 1 . 2]" 1
275 1 20 TRP HE1 1 21 PRO HA 4.150 . 6.500 4.517 4.476 4.564 . 0 0 "[ . 1 . 2]" 1
276 1 20 TRP HE1 1 21 PRO HB2 4.150 . 6.500 6.017 5.984 6.054 . 0 0 "[ . 1 . 2]" 1
277 1 20 TRP HE1 1 21 PRO HB3 4.150 . 6.500 4.389 4.349 4.436 . 0 0 "[ . 1 . 2]" 1
278 1 20 TRP HE3 1 21 PRO HA 4.150 . 6.500 5.205 5.131 5.250 . 0 0 "[ . 1 . 2]" 1
279 1 20 TRP HE3 1 21 PRO HB2 4.150 . 6.500 4.874 4.826 4.910 . 0 0 "[ . 1 . 2]" 1
280 1 20 TRP HE3 1 21 PRO HB3 4.150 . 6.500 3.722 3.654 3.770 . 0 0 "[ . 1 . 2]" 1
281 1 20 TRP HE3 1 21 PRO HD2 3.640 . 5.480 3.641 3.624 3.659 . 0 0 "[ . 1 . 2]" 1
282 1 20 TRP HE3 1 21 PRO HD3 3.175 . 4.550 2.017 1.990 2.038 . 0 0 "[ . 1 . 2]" 1
283 1 20 TRP HE3 1 21 PRO HG2 4.150 . 6.500 3.928 3.911 3.952 . 0 0 "[ . 1 . 2]" 1
284 1 20 TRP HE3 1 21 PRO HG3 4.150 . 6.500 2.427 2.404 2.459 . 0 0 "[ . 1 . 2]" 1
285 1 20 TRP HE3 1 22 VAL MG1 4.665 . 7.530 6.174 6.130 6.237 . 0 0 "[ . 1 . 2]" 1
286 1 20 TRP HE3 1 22 VAL MG2 4.665 . 7.530 5.097 5.047 5.188 . 0 0 "[ . 1 . 2]" 1
287 1 20 TRP HH2 1 21 PRO HA 4.150 . 6.500 6.073 5.983 6.133 . 0 0 "[ . 1 . 2]" 1
288 1 20 TRP HH2 1 21 PRO HB2 4.150 . 6.500 5.209 5.158 5.259 . 0 0 "[ . 1 . 2]" 1
289 1 20 TRP HH2 1 21 PRO HB3 4.150 . 6.500 3.943 3.884 3.989 . 0 0 "[ . 1 . 2]" 1
290 1 20 TRP HH2 1 21 PRO HD3 4.150 . 6.500 5.581 5.556 5.607 . 0 0 "[ . 1 . 2]" 1
291 1 20 TRP HH2 1 21 PRO HG2 4.150 . 6.500 5.856 5.846 5.862 . 0 0 "[ . 1 . 2]" 1
292 1 20 TRP HH2 1 21 PRO HG3 4.150 . 6.500 4.287 4.270 4.310 . 0 0 "[ . 1 . 2]" 1
293 1 20 TRP HH2 1 22 VAL MG1 4.665 . 7.530 7.489 7.401 7.538 0.008 14 0 "[ . 1 . 2]" 1
294 1 20 TRP HH2 1 22 VAL QG 4.530 . 7.260 6.699 6.647 6.727 . 0 0 "[ . 1 . 2]" 1
295 1 20 TRP HH2 1 22 VAL MG2 4.665 . 7.530 7.551 7.525 7.565 0.035 3 0 "[ . 1 . 2]" 1
296 1 20 TRP HZ2 1 21 PRO HA 4.150 . 6.500 5.262 5.183 5.319 . 0 0 "[ . 1 . 2]" 1
297 1 20 TRP HZ2 1 21 PRO HB2 4.150 . 6.500 5.470 5.438 5.501 . 0 0 "[ . 1 . 2]" 1
298 1 20 TRP HZ2 1 21 PRO HB3 4.150 . 6.500 3.886 3.862 3.908 . 0 0 "[ . 1 . 2]" 1
299 1 20 TRP HZ2 1 21 PRO HD3 4.150 . 6.500 5.821 5.790 5.859 . 0 0 "[ . 1 . 2]" 1
300 1 20 TRP HZ2 1 21 PRO HG2 4.150 . 6.500 6.601 6.582 6.629 0.129 18 0 "[ . 1 . 2]" 1
301 1 20 TRP HZ2 1 21 PRO HG3 4.150 . 6.500 5.205 5.175 5.257 . 0 0 "[ . 1 . 2]" 1
302 1 20 TRP HZ3 1 21 PRO HA 4.150 . 6.500 6.040 5.948 6.097 . 0 0 "[ . 1 . 2]" 1
303 1 20 TRP HZ3 1 21 PRO HB2 4.150 . 6.500 4.898 4.825 4.953 . 0 0 "[ . 1 . 2]" 1
304 1 20 TRP HZ3 1 21 PRO HB3 4.150 . 6.500 3.855 3.763 3.914 . 0 0 "[ . 1 . 2]" 1
305 1 20 TRP HZ3 1 21 PRO HD2 3.530 . 5.260 5.346 5.328 5.360 0.100 13 0 "[ . 1 . 2]" 1
306 1 20 TRP HZ3 1 21 PRO HD3 3.760 . 5.720 4.059 4.039 4.079 . 0 0 "[ . 1 . 2]" 1
307 1 20 TRP HZ3 1 21 PRO HG2 4.150 . 6.500 4.514 4.494 4.538 . 0 0 "[ . 1 . 2]" 1
308 1 20 TRP HZ3 1 21 PRO HG3 4.150 . 6.500 2.813 2.787 2.833 . 0 0 "[ . 1 . 2]" 1
309 1 20 TRP HZ3 1 22 VAL MG1 4.665 . 7.530 6.654 6.608 6.697 . 0 0 "[ . 1 . 2]" 1
310 1 20 TRP HZ3 1 22 VAL MG2 4.665 . 7.530 6.246 6.235 6.259 . 0 0 "[ . 1 . 2]" 1
311 1 21 PRO HA 1 22 VAL H 2.550 . 3.300 3.220 3.188 3.304 0.004 15 0 "[ . 1 . 2]" 1
312 1 21 PRO HA 1 22 VAL MG1 4.165 . 6.530 4.220 4.143 4.255 . 0 0 "[ . 1 . 2]" 1
313 1 21 PRO HA 1 22 VAL MG2 4.165 . 6.530 4.450 4.423 4.509 . 0 0 "[ . 1 . 2]" 1
314 1 21 PRO HB2 1 22 VAL H 3.090 . 4.380 4.129 4.049 4.167 . 0 0 "[ . 1 . 2]" 1
315 1 21 PRO HB3 1 22 VAL H 3.245 . 4.690 4.466 4.441 4.488 . 0 0 "[ . 1 . 2]" 1
316 1 21 PRO HB3 1 22 VAL MG1 4.165 . 6.530 4.517 4.443 4.561 . 0 0 "[ . 1 . 2]" 1
317 1 21 PRO HB3 1 22 VAL MG2 4.165 . 6.530 4.754 4.735 4.773 . 0 0 "[ . 1 . 2]" 1
318 1 21 PRO HD2 1 22 VAL H 2.955 . 4.110 2.359 2.228 2.415 . 0 0 "[ . 1 . 2]" 1
319 1 21 PRO HD2 1 22 VAL MG1 3.545 . 5.290 3.722 3.642 3.873 . 0 0 "[ . 1 . 2]" 1
320 1 21 PRO HD2 1 22 VAL QG 3.240 . 4.680 1.926 1.866 2.066 . 0 0 "[ . 1 . 2]" 1
321 1 21 PRO HD2 1 22 VAL MG2 3.545 . 5.290 1.932 1.872 2.074 . 0 0 "[ . 1 . 2]" 1
322 1 21 PRO HD3 1 22 VAL H 3.060 . 4.320 3.607 3.550 3.636 . 0 0 "[ . 1 . 2]" 1
323 1 21 PRO HD3 1 22 VAL QG 4.415 . 7.030 3.485 3.430 3.600 . 0 0 "[ . 1 . 2]" 1
324 1 21 PRO HG2 1 22 VAL H 3.590 . 5.380 3.586 3.427 3.669 . 0 0 "[ . 1 . 2]" 1
325 1 21 PRO HG3 1 22 VAL H 3.650 . 5.500 4.552 4.444 4.608 . 0 0 "[ . 1 . 2]" 1
326 1 22 VAL H 1 23 CYS H 3.355 . 4.910 4.173 4.140 4.201 . 0 0 "[ . 1 . 2]" 1
327 1 22 VAL HA 1 23 CYS H 2.255 . 2.710 2.101 2.070 2.125 . 0 0 "[ . 1 . 2]" 1
328 1 22 VAL HB 1 23 CYS H 2.935 . 4.070 3.131 3.063 3.206 . 0 0 "[ . 1 . 2]" 1
329 1 22 VAL QG 1 23 CYS H 3.200 . 4.600 3.409 3.383 3.435 . 0 0 "[ . 1 . 2]" 1
330 1 22 VAL QG 1 23 CYS HB3 4.945 . 8.090 5.747 5.709 5.773 . 0 0 "[ . 1 . 2]" 1
331 1 22 VAL MG1 1 23 CYS H 3.530 . 5.260 3.656 3.613 3.684 . 0 0 "[ . 1 . 2]" 1
332 1 22 VAL MG2 1 23 CYS H 3.530 . 5.260 4.076 4.033 4.112 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 4:52:49 AM GMT (wattos1)