NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
369788 |
1bh4   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bh4
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 214
_Distance_constraint_stats_list.Viol_count 518
_Distance_constraint_stats_list.Viol_total 565.376
_Distance_constraint_stats_list.Viol_max 0.300
_Distance_constraint_stats_list.Viol_rms 0.0486
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0183
_Distance_constraint_stats_list.Viol_average_violations_only 0.0910
_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 4 SER 3.013 0.187 3 0 "[ . 1 ]"
1 5 CYS 9.302 0.276 4 0 "[ . 1 ]"
1 6 VAL 2.292 0.239 4 0 "[ . 1 ]"
1 7 TRP 3.711 0.188 11 0 "[ . 1 ]"
1 8 ILE 5.455 0.252 3 0 "[ . 1 ]"
1 9 PRO 0.005 0.005 4 0 "[ . 1 ]"
1 10 CYS 1.237 0.273 3 0 "[ . 1 ]"
1 11 ILE 3.267 0.300 11 0 "[ . 1 ]"
1 12 SER 3.917 0.193 2 0 "[ . 1 ]"
1 13 ALA 1.935 0.194 1 0 "[ . 1 ]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 15 LEU 3.334 0.231 5 0 "[ . 1 ]"
1 16 GLY 2.446 0.259 9 0 "[ . 1 ]"
1 17 CYS 1.214 0.095 5 0 "[ . 1 ]"
1 18 SER 0.040 0.020 5 0 "[ . 1 ]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 20 LYS 0.234 0.046 6 0 "[ . 1 ]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 22 LYS 0.742 0.068 10 0 "[ . 1 ]"
1 23 VAL 4.437 0.200 10 0 "[ . 1 ]"
1 24 CYS 0.593 0.118 11 0 "[ . 1 ]"
1 25 TYR 4.911 0.226 5 0 "[ . 1 ]"
1 26 ARG 0.933 0.157 12 0 "[ . 1 ]"
1 27 ASN 0.846 0.100 11 0 "[ . 1 ]"
1 28 GLY 3.917 0.192 9 0 "[ . 1 ]"
1 29 ILE 1.240 0.269 5 0 "[ . 1 ]"
1 30 PRO 0.968 0.133 2 0 "[ . 1 ]"
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 4 SER H 1 4 SER HA 0.000 . 2.700 2.714 2.650 2.758 0.058 1 0 "[ . 1 ]" 1
2 1 4 SER H 1 4 SER HB2 0.000 . 3.500 3.203 2.800 3.602 0.102 9 0 "[ . 1 ]" 1
3 1 4 SER H 1 4 SER HB3 0.000 . 3.500 3.167 2.572 3.573 0.073 2 0 "[ . 1 ]" 1
4 1 4 SER HA 1 5 CYS H 0.000 . 2.700 2.037 1.991 2.086 . 0 0 "[ . 1 ]" 1
5 1 4 SER HA 1 23 VAL HA 0.000 . 3.500 2.055 1.985 2.255 . 0 0 "[ . 1 ]" 1
6 1 4 SER HA 1 23 VAL MG1 0.000 . 7.500 4.688 4.140 4.888 . 0 0 "[ . 1 ]" 1
7 1 4 SER HA 1 23 VAL MG2 0.000 . 7.500 3.450 3.043 3.645 . 0 0 "[ . 1 ]" 1
8 1 4 SER HA 1 24 CYS H 0.000 . 3.500 3.413 3.313 3.530 0.030 5 0 "[ . 1 ]" 1
9 1 4 SER HB2 1 5 CYS H 0.000 . 3.500 3.325 2.744 3.687 0.187 3 0 "[ . 1 ]" 1
10 1 4 SER HB2 1 6 VAL H 0.000 . 5.000 2.938 2.224 3.668 . 0 0 "[ . 1 ]" 1
11 1 4 SER HB3 1 5 CYS H 0.000 . 3.500 3.186 2.693 3.669 0.169 8 0 "[ . 1 ]" 1
12 1 4 SER HB3 1 6 VAL H 0.000 . 5.000 3.402 2.637 4.177 . 0 0 "[ . 1 ]" 1
13 1 5 CYS H 1 5 CYS HA 0.000 . 2.700 2.942 2.925 2.958 0.258 8 0 "[ . 1 ]" 1
14 1 5 CYS H 1 5 CYS HB2 0.000 . 3.500 3.414 2.473 3.645 0.145 2 0 "[ . 1 ]" 1
15 1 5 CYS H 1 5 CYS HB3 0.000 . 3.500 3.469 3.187 3.645 0.145 12 0 "[ . 1 ]" 1
16 1 5 CYS H 1 23 VAL HA 0.000 . 3.500 3.589 3.546 3.656 0.156 1 0 "[ . 1 ]" 1
17 1 5 CYS HA 1 5 CYS HB2 0.000 . 2.700 2.748 2.671 2.976 0.276 4 0 "[ . 1 ]" 1
18 1 5 CYS HA 1 5 CYS HB3 0.000 . 2.700 2.339 2.299 2.453 . 0 0 "[ . 1 ]" 1
19 1 5 CYS HA 1 6 VAL H 0.000 . 2.700 2.803 2.678 2.939 0.239 4 0 "[ . 1 ]" 1
20 1 5 CYS HA 1 6 VAL QG 0.000 . 7.500 4.360 4.253 4.458 . 0 0 "[ . 1 ]" 1
21 1 5 CYS HA 1 7 TRP H 0.000 . 5.000 4.395 3.914 4.737 . 0 0 "[ . 1 ]" 1
22 1 5 CYS HA 1 8 ILE H 0.000 . 3.500 3.502 3.230 3.558 0.058 11 0 "[ . 1 ]" 1
23 1 5 CYS HB2 1 9 PRO HA 0.000 . 5.000 2.613 2.075 3.720 . 0 0 "[ . 1 ]" 1
24 1 5 CYS HB2 1 10 CYS H 0.000 . 5.000 3.785 3.007 5.051 0.051 12 0 "[ . 1 ]" 1
25 1 5 CYS HB3 1 9 PRO HA 0.000 . 5.000 2.663 2.102 3.537 . 0 0 "[ . 1 ]" 1
26 1 5 CYS HB3 1 10 CYS H 0.000 . 5.000 3.010 2.237 3.777 . 0 0 "[ . 1 ]" 1
27 1 6 VAL H 1 6 VAL HB 0.000 . 2.700 2.486 2.443 2.579 . 0 0 "[ . 1 ]" 1
28 1 6 VAL H 1 7 TRP H 0.000 . 3.500 2.736 2.546 2.814 . 0 0 "[ . 1 ]" 1
29 1 6 VAL H 1 8 ILE H 0.000 . 5.000 3.805 3.492 4.218 . 0 0 "[ . 1 ]" 1
30 1 6 VAL HA 1 7 TRP H 0.000 . 3.500 3.534 3.526 3.541 0.041 1 0 "[ . 1 ]" 1
31 1 6 VAL HA 1 22 LYS HB2 0.000 . 5.000 4.955 4.427 5.068 0.068 10 0 "[ . 1 ]" 1
32 1 6 VAL HA 1 22 LYS HB3 0.000 . 5.000 4.943 4.678 5.057 0.057 4 0 "[ . 1 ]" 1
33 1 6 VAL HB 1 7 TRP H 0.000 . 2.700 2.092 1.980 2.343 . 0 0 "[ . 1 ]" 1
34 1 6 VAL QG 1 7 TRP HA 0.000 . 7.500 3.334 3.238 3.564 . 0 0 "[ . 1 ]" 1
35 1 6 VAL MG1 1 7 TRP H 0.000 . 6.500 2.973 2.812 3.408 . 0 0 "[ . 1 ]" 1
36 1 6 VAL MG2 1 7 TRP H 0.000 . 6.500 3.647 3.594 3.736 . 0 0 "[ . 1 ]" 1
37 1 7 TRP H 1 7 TRP HA 0.000 . 2.700 2.836 2.797 2.888 0.188 11 0 "[ . 1 ]" 1
38 1 7 TRP H 1 7 TRP HB2 0.000 . 2.700 2.318 2.234 2.450 . 0 0 "[ . 1 ]" 1
39 1 7 TRP H 1 7 TRP HB3 0.000 . 2.700 2.729 2.606 2.778 0.078 4 0 "[ . 1 ]" 1
40 1 7 TRP H 1 8 ILE H 0.000 . 2.700 2.640 2.405 2.728 0.028 2 0 "[ . 1 ]" 1
41 1 7 TRP HA 1 8 ILE H 0.000 . 3.500 3.503 3.461 3.536 0.036 6 0 "[ . 1 ]" 1
42 1 7 TRP QB 1 8 ILE MD 0.000 . 7.500 3.929 1.980 5.214 . 0 0 "[ . 1 ]" 1
43 1 7 TRP HB2 1 8 ILE H 0.000 . 3.500 3.584 3.520 3.625 0.125 5 0 "[ . 1 ]" 1
44 1 7 TRP HB2 1 8 ILE MG 0.000 . 6.500 4.551 3.989 5.232 . 0 0 "[ . 1 ]" 1
45 1 7 TRP HB3 1 8 ILE H 0.000 . 3.500 2.442 2.220 2.603 . 0 0 "[ . 1 ]" 1
46 1 7 TRP HB3 1 8 ILE MG 0.000 . 6.500 3.142 2.425 4.164 . 0 0 "[ . 1 ]" 1
47 1 8 ILE H 1 8 ILE HA 0.000 . 2.700 2.921 2.873 2.952 0.252 3 0 "[ . 1 ]" 1
48 1 8 ILE H 1 8 ILE HB 0.000 . 3.500 3.571 3.351 3.703 0.203 6 0 "[ . 1 ]" 1
49 1 8 ILE H 1 8 ILE HG13 0.000 . 5.000 3.412 2.175 4.734 . 0 0 "[ . 1 ]" 1
50 1 8 ILE HA 1 8 ILE HB 0.000 . 2.700 2.584 2.426 2.753 0.053 7 0 "[ . 1 ]" 1
51 1 8 ILE HA 1 9 PRO HD2 0.000 . 2.700 2.390 2.166 2.635 . 0 0 "[ . 1 ]" 1
52 1 8 ILE HA 1 9 PRO HD3 0.000 . 2.700 2.226 2.101 2.504 . 0 0 "[ . 1 ]" 1
53 1 8 ILE MG 1 9 PRO HD2 0.000 . 7.500 3.539 2.441 4.692 . 0 0 "[ . 1 ]" 1
54 1 8 ILE MG 1 9 PRO HD3 0.000 . 7.500 4.006 3.095 4.768 . 0 0 "[ . 1 ]" 1
55 1 9 PRO HA 1 10 CYS H 0.000 . 2.700 2.283 2.158 2.659 . 0 0 "[ . 1 ]" 1
56 1 9 PRO HB2 1 10 CYS H 0.000 . 3.500 3.035 2.174 3.505 0.005 4 0 "[ . 1 ]" 1
57 1 9 PRO QG 1 10 CYS H 0.000 . 6.000 4.547 3.943 4.757 . 0 0 "[ . 1 ]" 1
58 1 10 CYS H 1 11 ILE H 0.000 . 5.000 4.592 4.472 4.643 . 0 0 "[ . 1 ]" 1
59 1 10 CYS H 1 19 CYS QB 0.000 . 6.000 3.927 3.317 4.730 . 0 0 "[ . 1 ]" 1
60 1 10 CYS HA 1 10 CYS HB2 0.000 . 2.700 2.704 2.462 2.973 0.273 3 0 "[ . 1 ]" 1
61 1 10 CYS HA 1 10 CYS HB3 0.000 . 2.700 2.294 2.205 2.420 . 0 0 "[ . 1 ]" 1
62 1 10 CYS HA 1 11 ILE H 0.000 . 2.700 2.366 2.217 2.716 0.016 3 0 "[ . 1 ]" 1
63 1 10 CYS HA 1 12 SER H 0.000 . 5.000 4.411 4.118 5.016 0.016 1 0 "[ . 1 ]" 1
64 1 10 CYS HB2 1 11 ILE H 0.000 . 5.000 2.624 2.097 3.004 . 0 0 "[ . 1 ]" 1
65 1 10 CYS HB2 1 12 SER H 0.000 . 5.000 3.753 2.683 4.559 . 0 0 "[ . 1 ]" 1
66 1 10 CYS HB2 1 13 ALA H 0.000 . 5.000 3.139 2.560 4.559 . 0 0 "[ . 1 ]" 1
67 1 10 CYS HB3 1 11 ILE H 0.000 . 5.000 3.223 1.953 3.902 . 0 0 "[ . 1 ]" 1
68 1 10 CYS HB3 1 12 SER H 0.000 . 5.000 4.678 3.603 5.071 0.071 8 0 "[ . 1 ]" 1
69 1 10 CYS HB3 1 13 ALA H 0.000 . 5.000 4.179 3.670 5.037 0.037 2 0 "[ . 1 ]" 1
70 1 11 ILE H 1 11 ILE HB 0.000 . 3.500 2.993 2.499 3.618 0.118 1 0 "[ . 1 ]" 1
71 1 11 ILE H 1 11 ILE QG 0.000 . 5.000 2.287 1.877 2.687 . 0 0 "[ . 1 ]" 1
72 1 11 ILE H 1 12 SER H 0.000 . 3.500 2.193 2.032 2.562 . 0 0 "[ . 1 ]" 1
73 1 11 ILE HA 1 11 ILE HB 0.000 . 2.700 2.897 2.683 3.000 0.300 11 0 "[ . 1 ]" 1
74 1 11 ILE HA 1 12 SER H 0.000 . 3.500 3.525 3.504 3.540 0.040 1 0 "[ . 1 ]" 1
75 1 11 ILE HB 1 12 SER H 0.000 . 2.700 2.462 2.055 2.755 0.055 12 0 "[ . 1 ]" 1
76 1 11 ILE MD 1 12 SER H 0.000 . 5.500 3.688 2.068 4.510 . 0 0 "[ . 1 ]" 1
77 1 11 ILE QG 1 12 SER H 0.000 . 6.500 3.091 1.812 3.897 . 0 0 "[ . 1 ]" 1
78 1 12 SER H 1 12 SER HA 0.000 . 2.700 2.851 2.813 2.893 0.193 2 0 "[ . 1 ]" 1
79 1 12 SER H 1 12 SER HB2 0.000 . 3.500 2.545 2.358 3.570 0.070 12 0 "[ . 1 ]" 1
80 1 12 SER H 1 12 SER HB3 0.000 . 3.500 3.183 2.493 3.580 0.080 7 0 "[ . 1 ]" 1
81 1 12 SER H 1 13 ALA H 0.000 . 3.500 2.838 2.523 3.577 0.077 2 0 "[ . 1 ]" 1
82 1 12 SER HA 1 13 ALA H 0.000 . 3.500 3.490 3.366 3.526 0.026 8 0 "[ . 1 ]" 1
83 1 12 SER HA 1 15 LEU H 0.000 . 5.000 4.411 3.869 5.073 0.073 3 0 "[ . 1 ]" 1
84 1 12 SER HB2 1 13 ALA H 0.000 . 3.500 2.756 1.954 3.572 0.072 6 0 "[ . 1 ]" 1
85 1 12 SER HB3 1 13 ALA H 0.000 . 3.500 2.931 1.891 3.643 0.143 12 0 "[ . 1 ]" 1
86 1 13 ALA H 1 13 ALA HA 0.000 . 2.700 2.714 2.309 2.894 0.194 1 0 "[ . 1 ]" 1
87 1 13 ALA H 1 14 ALA H 0.000 . 3.500 2.718 2.475 2.973 . 0 0 "[ . 1 ]" 1
88 1 13 ALA HA 1 14 ALA H 0.000 . 3.500 3.382 3.146 3.497 . 0 0 "[ . 1 ]" 1
89 1 13 ALA HA 1 15 LEU H 0.000 . 5.000 4.024 3.693 4.533 . 0 0 "[ . 1 ]" 1
90 1 13 ALA HA 1 17 CYS H 0.000 . 3.500 3.024 2.326 3.449 . 0 0 "[ . 1 ]" 1
91 1 13 ALA MB 1 14 ALA H 0.000 . 5.000 3.061 2.720 3.438 . 0 0 "[ . 1 ]" 1
92 1 14 ALA H 1 15 LEU H 0.000 . 3.500 2.668 2.314 3.003 . 0 0 "[ . 1 ]" 1
93 1 15 LEU H 1 15 LEU HA 0.000 . 2.700 2.858 2.803 2.931 0.231 5 0 "[ . 1 ]" 1
94 1 15 LEU H 1 15 LEU HB2 0.000 . 3.500 2.485 2.092 3.561 0.061 1 0 "[ . 1 ]" 1
95 1 15 LEU H 1 15 LEU HB3 0.000 . 3.500 3.427 2.961 3.572 0.072 2 0 "[ . 1 ]" 1
96 1 15 LEU H 1 15 LEU HG 0.000 . 3.500 2.714 1.826 3.663 0.163 10 0 "[ . 1 ]" 1
97 1 15 LEU HA 1 15 LEU HG 0.000 . 3.500 2.811 2.281 3.639 0.139 10 0 "[ . 1 ]" 1
98 1 15 LEU HA 1 16 GLY H 0.000 . 3.500 3.336 2.345 3.555 0.055 1 0 "[ . 1 ]" 1
99 1 15 LEU HB2 1 16 GLY H 0.000 . 5.000 2.827 1.971 4.477 . 0 0 "[ . 1 ]" 1
100 1 15 LEU HB3 1 16 GLY H 0.000 . 5.000 3.372 2.626 4.418 . 0 0 "[ . 1 ]" 1
101 1 15 LEU QD 1 16 GLY H 0.000 . 8.000 3.652 2.172 4.472 . 0 0 "[ . 1 ]" 1
102 1 16 GLY H 1 16 GLY HA2 0.000 . 2.700 2.735 2.331 2.853 0.153 4 0 "[ . 1 ]" 1
103 1 16 GLY H 1 16 GLY HA3 0.000 . 2.700 2.567 2.325 2.959 0.259 9 0 "[ . 1 ]" 1
104 1 16 GLY H 1 17 CYS H 0.000 . 3.500 2.692 1.586 3.367 . 0 0 "[ . 1 ]" 1
105 1 16 GLY HA2 1 17 CYS H 0.000 . 3.500 3.399 2.976 3.526 0.026 6 0 "[ . 1 ]" 1
106 1 16 GLY HA3 1 17 CYS H 0.000 . 3.500 2.663 2.207 3.463 . 0 0 "[ . 1 ]" 1
107 1 17 CYS H 1 17 CYS HB2 0.000 . 3.500 2.915 2.362 3.196 . 0 0 "[ . 1 ]" 1
108 1 17 CYS H 1 17 CYS HB3 0.000 . 3.500 3.531 3.414 3.595 0.095 5 0 "[ . 1 ]" 1
109 1 17 CYS H 1 18 SER H 0.000 . 5.000 4.522 4.359 4.613 . 0 0 "[ . 1 ]" 1
110 1 17 CYS HA 1 18 SER H 0.000 . 2.700 2.477 2.097 2.720 0.020 5 0 "[ . 1 ]" 1
111 1 17 CYS HB2 1 18 SER H 0.000 . 5.000 2.994 2.563 4.156 . 0 0 "[ . 1 ]" 1
112 1 17 CYS HB2 1 25 TYR H 0.000 . 5.000 5.050 5.019 5.087 0.087 9 0 "[ . 1 ]" 1
113 1 17 CYS HB3 1 18 SER H 0.000 . 5.000 2.588 1.844 3.689 . 0 0 "[ . 1 ]" 1
114 1 18 SER H 1 18 SER QB 0.000 . 3.700 2.732 2.450 2.840 . 0 0 "[ . 1 ]" 1
115 1 18 SER H 1 24 CYS HA 0.000 . 5.000 4.553 4.078 5.013 0.013 9 0 "[ . 1 ]" 1
116 1 18 SER H 1 25 TYR H 0.000 . 5.000 4.286 3.800 4.754 . 0 0 "[ . 1 ]" 1
117 1 18 SER HA 1 19 CYS H 0.000 . 2.700 2.196 2.112 2.443 . 0 0 "[ . 1 ]" 1
118 1 18 SER QB 1 19 CYS H 0.000 . 3.700 3.142 2.420 3.398 . 0 0 "[ . 1 ]" 1
119 1 19 CYS H 1 19 CYS QB 0.000 . 3.700 2.251 2.224 2.280 . 0 0 "[ . 1 ]" 1
120 1 19 CYS HA 1 20 LYS H 0.000 . 2.700 2.105 2.057 2.235 . 0 0 "[ . 1 ]" 1
121 1 19 CYS HA 1 23 VAL H 0.000 . 5.000 4.090 3.691 4.319 . 0 0 "[ . 1 ]" 1
122 1 19 CYS HA 1 25 TYR H 0.000 . 5.000 3.599 3.489 3.788 . 0 0 "[ . 1 ]" 1
123 1 19 CYS QB 1 20 LYS H 0.000 . 6.000 3.781 3.670 4.002 . 0 0 "[ . 1 ]" 1
124 1 19 CYS QB 1 25 TYR H 0.000 . 6.000 5.371 5.284 5.554 . 0 0 "[ . 1 ]" 1
125 1 20 LYS H 1 20 LYS QB 0.000 . 3.700 2.767 2.496 3.323 . 0 0 "[ . 1 ]" 1
126 1 20 LYS H 1 20 LYS QE 0.000 . 7.000 5.436 3.668 6.300 . 0 0 "[ . 1 ]" 1
127 1 20 LYS H 1 21 ASN H 0.000 . 5.000 4.242 4.046 4.495 . 0 0 "[ . 1 ]" 1
128 1 20 LYS H 1 22 LYS H 0.000 . 5.000 4.898 4.535 5.046 0.046 6 0 "[ . 1 ]" 1
129 1 20 LYS H 1 23 VAL H 0.000 . 3.500 3.146 2.850 3.482 . 0 0 "[ . 1 ]" 1
130 1 20 LYS H 1 24 CYS HA 0.000 . 3.500 3.430 3.114 3.534 0.034 11 0 "[ . 1 ]" 1
131 1 20 LYS H 1 25 TYR H 0.000 . 5.000 3.636 3.134 3.912 . 0 0 "[ . 1 ]" 1
132 1 20 LYS H 1 25 TYR QD 0.000 . 7.000 6.117 5.866 6.325 . 0 0 "[ . 1 ]" 1
133 1 20 LYS HA 1 21 ASN H 0.000 . 2.700 2.155 2.094 2.215 . 0 0 "[ . 1 ]" 1
134 1 20 LYS HA 1 22 LYS H 0.000 . 5.000 4.208 3.881 4.665 . 0 0 "[ . 1 ]" 1
135 1 20 LYS QB 1 21 ASN H 0.000 . 6.000 3.290 2.827 3.658 . 0 0 "[ . 1 ]" 1
136 1 20 LYS QD 1 21 ASN H 0.000 . 6.000 4.326 2.231 5.183 . 0 0 "[ . 1 ]" 1
137 1 20 LYS QG 1 21 ASN H 0.000 . 6.000 3.392 2.482 4.461 . 0 0 "[ . 1 ]" 1
138 1 21 ASN H 1 21 ASN HA 0.000 . 2.700 2.326 2.311 2.343 . 0 0 "[ . 1 ]" 1
139 1 21 ASN H 1 22 LYS H 0.000 . 3.500 3.012 2.795 3.232 . 0 0 "[ . 1 ]" 1
140 1 21 ASN HA 1 22 LYS H 0.000 . 2.700 2.433 2.305 2.531 . 0 0 "[ . 1 ]" 1
141 1 21 ASN QB 1 22 LYS QD 0.000 . 7.000 5.424 5.138 5.586 . 0 0 "[ . 1 ]" 1
142 1 21 ASN HB2 1 22 LYS H 0.000 . 5.000 4.494 4.340 4.619 . 0 0 "[ . 1 ]" 1
143 1 21 ASN HB3 1 22 LYS H 0.000 . 5.000 4.427 4.370 4.590 . 0 0 "[ . 1 ]" 1
144 1 22 LYS H 1 22 LYS HA 0.000 . 2.700 2.327 2.318 2.336 . 0 0 "[ . 1 ]" 1
145 1 22 LYS H 1 22 LYS QG 0.000 . 3.700 3.180 3.067 3.305 . 0 0 "[ . 1 ]" 1
146 1 22 LYS H 1 23 VAL H 0.000 . 3.500 3.088 3.009 3.154 . 0 0 "[ . 1 ]" 1
147 1 22 LYS HA 1 22 LYS HB2 0.000 . 2.700 2.503 2.450 2.550 . 0 0 "[ . 1 ]" 1
148 1 22 LYS HA 1 22 LYS HB3 0.000 . 2.700 2.432 2.399 2.473 . 0 0 "[ . 1 ]" 1
149 1 22 LYS HA 1 22 LYS QG 0.000 . 3.700 3.387 3.379 3.400 . 0 0 "[ . 1 ]" 1
150 1 22 LYS HA 1 23 VAL H 0.000 . 3.500 2.738 2.661 2.806 . 0 0 "[ . 1 ]" 1
151 1 22 LYS QB 1 22 LYS HD2 0.000 . 3.700 2.602 2.173 3.300 . 0 0 "[ . 1 ]" 1
152 1 22 LYS QB 1 22 LYS HD3 0.000 . 3.700 2.704 2.179 3.317 . 0 0 "[ . 1 ]" 1
153 1 22 LYS HB2 1 23 VAL H 0.000 . 5.000 4.459 4.416 4.500 . 0 0 "[ . 1 ]" 1
154 1 22 LYS HB3 1 23 VAL H 0.000 . 5.000 4.656 4.643 4.679 . 0 0 "[ . 1 ]" 1
155 1 23 VAL H 1 23 VAL HA 0.000 . 2.700 2.894 2.889 2.900 0.200 10 0 "[ . 1 ]" 1
156 1 23 VAL H 1 23 VAL HB 0.000 . 2.700 2.786 2.685 2.844 0.144 2 0 "[ . 1 ]" 1
157 1 23 VAL H 1 25 TYR QD 0.000 . 7.000 6.225 6.114 6.385 . 0 0 "[ . 1 ]" 1
158 1 23 VAL H 1 25 TYR QE 0.000 . 7.000 6.635 6.581 6.751 . 0 0 "[ . 1 ]" 1
159 1 23 VAL HA 1 24 CYS H 0.000 . 2.700 2.261 2.243 2.299 . 0 0 "[ . 1 ]" 1
160 1 23 VAL MG1 1 24 CYS H 0.000 . 5.000 3.074 2.675 3.247 . 0 0 "[ . 1 ]" 1
161 1 23 VAL MG1 1 25 TYR QD 0.000 . 8.500 2.481 2.374 2.569 . 0 0 "[ . 1 ]" 1
162 1 23 VAL MG1 1 25 TYR QE 0.000 . 7.000 3.102 2.503 3.465 . 0 0 "[ . 1 ]" 1
163 1 23 VAL MG2 1 24 CYS H 0.000 . 5.000 3.181 2.735 3.901 . 0 0 "[ . 1 ]" 1
164 1 23 VAL MG2 1 25 TYR QD 0.000 . 8.500 3.419 3.021 4.528 . 0 0 "[ . 1 ]" 1
165 1 23 VAL MG2 1 25 TYR QE 0.000 . 7.000 2.762 2.496 3.922 . 0 0 "[ . 1 ]" 1
166 1 24 CYS H 1 24 CYS HB2 0.000 . 3.500 2.641 2.288 2.979 . 0 0 "[ . 1 ]" 1
167 1 24 CYS H 1 24 CYS HB3 0.000 . 3.500 2.998 2.461 3.618 0.118 11 0 "[ . 1 ]" 1
168 1 24 CYS HA 1 25 TYR H 0.000 . 2.700 2.496 2.248 2.756 0.056 5 0 "[ . 1 ]" 1
169 1 24 CYS HB2 1 25 TYR H 0.000 . 5.000 4.520 4.302 4.664 . 0 0 "[ . 1 ]" 1
170 1 24 CYS HB3 1 25 TYR H 0.000 . 5.000 4.363 4.215 4.441 . 0 0 "[ . 1 ]" 1
171 1 25 TYR H 1 25 TYR HB2 0.000 . 3.500 2.507 2.391 2.716 . 0 0 "[ . 1 ]" 1
172 1 25 TYR H 1 25 TYR HB3 0.000 . 3.500 3.677 3.614 3.726 0.226 5 0 "[ . 1 ]" 1
173 1 25 TYR HA 1 26 ARG H 0.000 . 2.700 2.358 2.263 2.411 . 0 0 "[ . 1 ]" 1
174 1 25 TYR HA 1 29 ILE H 0.000 . 5.000 4.764 4.505 5.017 0.017 12 0 "[ . 1 ]" 1
175 1 25 TYR HA 1 30 PRO HA 0.000 . 3.500 3.581 3.509 3.633 0.133 2 0 "[ . 1 ]" 1
176 1 25 TYR HB2 1 26 ARG H 0.000 . 3.500 3.538 3.405 3.657 0.157 12 0 "[ . 1 ]" 1
177 1 25 TYR HB2 1 28 GLY H 0.000 . 3.500 3.516 3.282 3.647 0.147 10 0 "[ . 1 ]" 1
178 1 25 TYR HB2 1 29 ILE H 0.000 . 5.000 4.607 4.295 4.885 . 0 0 "[ . 1 ]" 1
179 1 25 TYR HB3 1 26 ARG H 0.000 . 3.500 2.359 2.253 2.484 . 0 0 "[ . 1 ]" 1
180 1 25 TYR HB3 1 28 GLY H 0.000 . 3.500 2.825 2.582 3.247 . 0 0 "[ . 1 ]" 1
181 1 25 TYR HB3 1 29 ILE H 0.000 . 5.000 3.140 2.891 3.338 . 0 0 "[ . 1 ]" 1
182 1 25 TYR QD 1 29 ILE HA 0.000 . 7.000 5.264 4.751 5.563 . 0 0 "[ . 1 ]" 1
183 1 25 TYR QD 1 30 PRO HA 0.000 . 4.700 2.768 2.594 2.874 . 0 0 "[ . 1 ]" 1
184 1 25 TYR QD 1 30 PRO HB2 0.000 . 5.500 4.849 4.525 5.075 . 0 0 "[ . 1 ]" 1
185 1 25 TYR QD 1 30 PRO HB3 0.000 . 5.500 4.142 3.827 4.329 . 0 0 "[ . 1 ]" 1
186 1 25 TYR QD 1 30 PRO HD2 0.000 . 7.000 5.835 5.634 5.984 . 0 0 "[ . 1 ]" 1
187 1 25 TYR QD 1 30 PRO HD3 0.000 . 7.000 4.909 4.544 5.258 . 0 0 "[ . 1 ]" 1
188 1 25 TYR QD 1 30 PRO QG 0.000 . 6.500 5.027 4.856 5.209 . 0 0 "[ . 1 ]" 1
189 1 25 TYR QE 1 29 ILE H 0.000 . 7.000 6.469 6.131 6.584 . 0 0 "[ . 1 ]" 1
190 1 25 TYR QE 1 29 ILE HA 0.000 . 7.000 6.143 5.620 6.533 . 0 0 "[ . 1 ]" 1
191 1 25 TYR QE 1 30 PRO HA 0.000 . 5.500 3.054 2.919 3.215 . 0 0 "[ . 1 ]" 1
192 1 25 TYR QE 1 30 PRO HB2 0.000 . 5.500 4.034 3.745 4.293 . 0 0 "[ . 1 ]" 1
193 1 25 TYR QE 1 30 PRO HB3 0.000 . 5.500 3.244 3.103 3.371 . 0 0 "[ . 1 ]" 1
194 1 25 TYR QE 1 30 PRO HD2 0.000 . 7.000 6.036 5.782 6.254 . 0 0 "[ . 1 ]" 1
195 1 25 TYR QE 1 30 PRO HD3 0.000 . 7.000 5.068 4.553 5.435 . 0 0 "[ . 1 ]" 1
196 1 25 TYR QE 1 30 PRO QG 0.000 . 5.700 4.420 4.149 4.717 . 0 0 "[ . 1 ]" 1
197 1 26 ARG H 1 30 PRO HA 0.000 . 5.000 4.573 4.432 4.705 . 0 0 "[ . 1 ]" 1
198 1 26 ARG HA 1 27 ASN H 0.000 . 2.700 2.646 2.182 2.799 0.099 5 0 "[ . 1 ]" 1
199 1 27 ASN H 1 27 ASN HA 0.000 . 2.700 2.304 2.293 2.318 . 0 0 "[ . 1 ]" 1
200 1 27 ASN H 1 28 GLY H 0.000 . 3.500 2.808 2.709 3.076 . 0 0 "[ . 1 ]" 1
201 1 27 ASN H 1 29 ILE H 0.000 . 5.000 4.026 3.896 4.266 . 0 0 "[ . 1 ]" 1
202 1 27 ASN HA 1 28 GLY H 0.000 . 2.700 2.694 2.298 2.800 0.100 11 0 "[ . 1 ]" 1
203 1 28 GLY H 1 28 GLY HA2 0.000 . 2.700 2.697 2.306 2.809 0.109 5 0 "[ . 1 ]" 1
204 1 28 GLY H 1 28 GLY HA3 0.000 . 2.700 2.867 2.835 2.892 0.192 9 0 "[ . 1 ]" 1
205 1 28 GLY H 1 29 ILE H 0.000 . 3.500 2.205 1.833 3.116 . 0 0 "[ . 1 ]" 1
206 1 28 GLY HA2 1 29 ILE H 0.000 . 3.500 3.492 3.349 3.524 0.024 7 0 "[ . 1 ]" 1
207 1 28 GLY HA3 1 29 ILE H 0.000 . 3.500 2.994 2.872 3.308 . 0 0 "[ . 1 ]" 1
208 1 29 ILE H 1 29 ILE HB 0.000 . 2.700 2.734 2.482 2.841 0.141 8 0 "[ . 1 ]" 1
209 1 29 ILE H 1 29 ILE HG12 0.000 . 5.000 4.710 4.423 5.021 0.021 10 0 "[ . 1 ]" 1
210 1 29 ILE H 1 29 ILE HG13 0.000 . 5.000 4.539 4.097 4.701 . 0 0 "[ . 1 ]" 1
211 1 29 ILE HA 1 29 ILE HB 0.000 . 2.700 2.624 2.534 2.969 0.269 5 0 "[ . 1 ]" 1
212 1 29 ILE HA 1 30 PRO HD2 0.000 . 3.500 2.397 2.343 2.570 . 0 0 "[ . 1 ]" 1
213 1 29 ILE HA 1 30 PRO HD3 0.000 . 3.500 2.120 2.023 2.172 . 0 0 "[ . 1 ]" 1
214 1 29 ILE MG 1 30 PRO QD 0.000 . 5.000 3.501 2.325 3.787 . 0 0 "[ . 1 ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 4:02:12 PM GMT (wattos1)