NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388171 |
1mvz   |
5617 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mvz
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 610
_Distance_constraint_stats_list.Viol_total 991.457
_Distance_constraint_stats_list.Viol_max 0.409
_Distance_constraint_stats_list.Viol_rms 0.0539
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0206
_Distance_constraint_stats_list.Viol_average_violations_only 0.1084
_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 THR 1.098 0.114 3 0 "[ . 1 .]"
1 4 THR 0.151 0.151 7 0 "[ . 1 .]"
1 5 THR 0.214 0.109 7 0 "[ . 1 .]"
1 6 THR 1.953 0.097 2 0 "[ . 1 .]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 8 CYS 0.003 0.003 8 0 "[ . 1 .]"
1 9 CYS 1.023 0.172 4 0 "[ . 1 .]"
1 10 ASP 1.344 0.369 6 0 "[ . 1 .]"
1 11 PHE 1.104 0.146 15 0 "[ . 1 .]"
1 12 CYS 0.101 0.051 11 0 "[ . 1 .]"
1 14 CYS 3.193 0.271 1 0 "[ . 1 .]"
1 15 THR 1.053 0.119 6 0 "[ . 1 .]"
1 16 ARG 0.228 0.049 6 0 "[ . 1 .]"
1 17 SER 3.452 0.226 2 0 "[ . 1 .]"
1 18 ILE 1.234 0.184 13 0 "[ . 1 .]"
1 21 GLN 1.958 0.197 6 0 "[ . 1 .]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 23 GLN 2.329 0.381 4 0 "[ . 1 .]"
1 24 CYS 0.061 0.038 8 0 "[ . 1 .]"
1 25 THR 0.000 0.000 . 0 "[ . 1 .]"
1 26 ASP 2.326 0.330 7 0 "[ . 1 .]"
1 27 VAL 0.309 0.068 12 0 "[ . 1 .]"
1 28 ARG 0.422 0.354 14 0 "[ . 1 .]"
1 29 GLU 1.453 0.149 12 0 "[ . 1 .]"
1 30 LYS 2.193 0.204 10 0 "[ . 1 .]"
1 31 CYS 3.956 0.212 14 0 "[ . 1 .]"
1 32 HIS 3.848 0.137 2 0 "[ . 1 .]"
1 33 SER 2.766 0.189 2 0 "[ . 1 .]"
1 35 CYS 1.001 0.085 9 0 "[ . 1 .]"
1 36 LYS 1.113 0.172 4 0 "[ . 1 .]"
1 37 SER 0.603 0.314 9 0 "[ . 1 .]"
1 38 CYS 0.839 0.190 6 0 "[ . 1 .]"
1 39 LEU 0.318 0.052 10 0 "[ . 1 .]"
1 40 CYS 4.206 0.335 9 0 "[ . 1 .]"
1 41 THR 0.396 0.060 4 0 "[ . 1 .]"
1 42 ARG 2.217 0.177 6 0 "[ . 1 .]"
1 43 SER 4.199 0.190 4 0 "[ . 1 .]"
1 44 PHE 1.127 0.409 4 0 "[ . 1 .]"
1 47 GLN 2.358 0.207 4 0 "[ . 1 .]"
1 48 CYS 1.776 0.199 8 0 "[ . 1 .]"
1 49 ARG 0.364 0.128 15 0 "[ . 1 .]"
1 50 CYS 0.699 0.193 3 0 "[ . 1 .]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 54 THR 0.000 0.000 . 0 "[ . 1 .]"
1 55 ASP 0.452 0.144 4 0 "[ . 1 .]"
1 56 PHE 0.473 0.108 13 0 "[ . 1 .]"
1 57 CYS 0.636 0.251 8 0 "[ . 1 .]"
1 58 TYR 2.163 0.188 8 0 "[ . 1 .]"
1 60 SER 2.901 0.204 3 0 "[ . 1 .]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 62 SER 0.482 0.248 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 1 THR HA 1 1 THR HB 10.000 . 2.400 2.461 2.296 2.514 0.114 3 0 "[ . 1 .]" 1
2 1 1 THR HA 1 1 THR MG 10.000 . 3.430 2.453 2.286 3.211 . 0 0 "[ . 1 .]" 1
3 1 4 THR H 1 4 THR HB 10.000 . 4.200 3.238 2.405 3.774 . 0 0 "[ . 1 .]" 1
4 1 4 THR HA 1 4 THR HB 10.000 . 2.870 2.520 2.432 3.021 0.151 7 0 "[ . 1 .]" 1
5 1 5 THR H 1 5 THR HB 10.000 . 3.580 3.198 2.483 3.689 0.109 7 0 "[ . 1 .]" 1
6 1 5 THR HA 1 5 THR HB 10.000 . 2.830 2.408 2.329 2.507 . 0 0 "[ . 1 .]" 1
7 1 6 THR H 1 6 THR HA 10.000 . 2.930 2.869 2.810 2.916 . 0 0 "[ . 1 .]" 1
8 1 6 THR H 1 6 THR HB 10.000 . 3.480 3.543 3.525 3.561 0.081 6 0 "[ . 1 .]" 1
9 1 6 THR H 1 6 THR MG 10.000 . 4.730 2.222 2.114 2.362 . 0 0 "[ . 1 .]" 1
10 1 6 THR HA 1 6 THR HB 10.000 . 2.400 2.467 2.439 2.497 0.097 2 0 "[ . 1 .]" 1
11 1 6 THR HA 1 6 THR MG 10.000 . 3.430 2.350 2.298 2.392 . 0 0 "[ . 1 .]" 1
12 1 7 ALA H 1 7 ALA MB 10.000 . 3.490 2.251 2.192 2.681 . 0 0 "[ . 1 .]" 1
13 1 8 CYS H 1 8 CYS HB2 10.000 . 4.010 3.852 3.707 4.013 0.003 8 0 "[ . 1 .]" 1
14 1 8 CYS H 1 8 CYS QB 10.000 . 3.810 3.059 2.789 3.355 . 0 0 "[ . 1 .]" 1
15 1 8 CYS H 1 8 CYS HB3 10.000 . 4.010 3.218 2.882 3.597 . 0 0 "[ . 1 .]" 1
16 1 9 CYS H 1 9 CYS HB2 10.000 . 3.420 3.470 3.240 3.592 0.172 4 0 "[ . 1 .]" 1
17 1 9 CYS H 1 9 CYS QB 10.000 . 3.250 2.868 2.643 2.969 . 0 0 "[ . 1 .]" 1
18 1 9 CYS H 1 9 CYS HB3 10.000 . 3.420 3.068 2.745 3.240 . 0 0 "[ . 1 .]" 1
19 1 10 ASP H 1 10 ASP HB2 10.000 . 3.390 2.809 2.322 3.391 0.001 1 0 "[ . 1 .]" 1
20 1 10 ASP H 1 10 ASP QB 10.000 . 3.100 2.441 2.294 2.802 . 0 0 "[ . 1 .]" 1
21 1 10 ASP H 1 10 ASP HB3 10.000 . 3.390 3.020 2.410 3.759 0.369 6 0 "[ . 1 .]" 1
22 1 11 PHE H 1 11 PHE HB2 10.000 . 3.550 2.642 2.443 3.554 0.004 12 0 "[ . 1 .]" 1
23 1 11 PHE H 1 11 PHE HB3 10.000 . 3.550 3.583 2.945 3.696 0.146 15 0 "[ . 1 .]" 1
24 1 12 CYS H 1 12 CYS HB2 10.000 . 3.800 3.371 2.439 3.764 . 0 0 "[ . 1 .]" 1
25 1 12 CYS H 1 12 CYS QB 10.000 . 3.410 2.842 2.405 3.219 . 0 0 "[ . 1 .]" 1
26 1 12 CYS H 1 12 CYS HB3 10.000 . 3.610 3.194 2.753 3.661 0.051 11 0 "[ . 1 .]" 1
27 1 14 CYS H 1 14 CYS HB2 10.000 . 3.700 2.833 2.683 3.360 . 0 0 "[ . 1 .]" 1
28 1 14 CYS H 1 14 CYS QB 10.000 . 3.280 2.706 2.631 2.765 . 0 0 "[ . 1 .]" 1
29 1 14 CYS H 1 14 CYS HB3 10.000 . 3.580 3.709 2.942 3.851 0.271 1 0 "[ . 1 .]" 1
30 1 15 THR H 1 15 THR HB 10.000 . 3.520 3.590 3.560 3.639 0.119 6 0 "[ . 1 .]" 1
31 1 15 THR H 1 15 THR MG 10.000 . 3.800 2.395 2.234 2.602 . 0 0 "[ . 1 .]" 1
32 1 15 THR HA 1 15 THR HB 10.000 . 2.650 2.470 2.424 2.518 . 0 0 "[ . 1 .]" 1
33 1 15 THR HA 1 15 THR MG 10.000 . 3.430 2.394 2.311 2.472 . 0 0 "[ . 1 .]" 1
34 1 16 ARG H 1 16 ARG HA 10.000 . 3.000 2.993 2.983 3.002 0.002 3 0 "[ . 1 .]" 1
35 1 16 ARG H 1 16 ARG QB 10.000 . 3.720 2.590 2.396 2.887 . 0 0 "[ . 1 .]" 1
36 1 16 ARG H 1 16 ARG HG2 10.000 . 4.070 3.236 2.045 3.901 . 0 0 "[ . 1 .]" 1
37 1 16 ARG H 1 16 ARG QG 10.000 . 3.500 2.478 2.013 2.805 . 0 0 "[ . 1 .]" 1
38 1 16 ARG H 1 16 ARG HG3 10.000 . 4.070 2.843 2.665 3.136 . 0 0 "[ . 1 .]" 1
39 1 16 ARG HA 1 16 ARG HG2 10.000 . 3.760 2.930 2.468 3.809 0.049 6 0 "[ . 1 .]" 1
40 1 16 ARG HA 1 16 ARG HG3 10.000 . 3.760 3.350 3.074 3.782 0.022 5 0 "[ . 1 .]" 1
41 1 17 SER H 1 17 SER HA 10.000 . 2.910 2.909 2.873 2.941 0.031 11 0 "[ . 1 .]" 1
42 1 17 SER H 1 17 SER HB2 10.000 . 3.330 3.498 3.457 3.556 0.226 2 0 "[ . 1 .]" 1
43 1 17 SER H 1 17 SER QB 10.000 . 3.040 2.699 2.594 2.808 . 0 0 "[ . 1 .]" 1
44 1 17 SER H 1 17 SER HB3 10.000 . 3.330 2.811 2.670 2.965 . 0 0 "[ . 1 .]" 1
45 1 17 SER HA 1 17 SER HB2 10.000 . 2.520 2.567 2.479 2.620 0.100 12 0 "[ . 1 .]" 1
46 1 17 SER HA 1 17 SER HB3 10.000 . 2.800 2.360 2.324 2.425 . 0 0 "[ . 1 .]" 1
47 1 18 ILE H 1 18 ILE HB 10.000 . 2.960 2.952 2.585 3.144 0.184 13 0 "[ . 1 .]" 1
48 1 18 ILE H 1 18 ILE MD 10.000 . 5.410 4.258 3.901 4.435 . 0 0 "[ . 1 .]" 1
49 1 18 ILE HA 1 18 ILE MD 10.000 . 3.950 2.344 2.118 2.901 . 0 0 "[ . 1 .]" 1
50 1 18 ILE HA 1 18 ILE QG 10.000 . 3.490 2.811 2.368 3.077 . 0 0 "[ . 1 .]" 1
51 1 21 GLN H 1 21 GLN HB2 10.000 . 3.480 2.834 2.379 3.637 0.157 2 0 "[ . 1 .]" 1
52 1 21 GLN H 1 21 GLN QB 10.000 . 3.200 2.618 2.346 3.094 . 0 0 "[ . 1 .]" 1
53 1 21 GLN H 1 21 GLN HB3 10.000 . 3.480 3.499 3.021 3.677 0.197 6 0 "[ . 1 .]" 1
54 1 21 GLN HB2 1 21 GLN HE22 10.000 . 5.380 4.244 3.617 5.234 . 0 0 "[ . 1 .]" 1
55 1 21 GLN HB3 1 21 GLN HE22 10.000 . 5.380 4.550 3.517 5.092 . 0 0 "[ . 1 .]" 1
56 1 22 CYS H 1 22 CYS HB2 10.000 . 4.010 2.520 2.404 2.680 . 0 0 "[ . 1 .]" 1
57 1 22 CYS H 1 22 CYS QB 10.000 . 3.850 2.480 2.373 2.629 . 0 0 "[ . 1 .]" 1
58 1 22 CYS H 1 22 CYS HB3 10.000 . 4.010 3.703 3.644 3.812 . 0 0 "[ . 1 .]" 1
59 1 23 GLN H 1 23 GLN HB2 10.000 . 3.860 3.286 2.724 3.875 0.015 15 0 "[ . 1 .]" 1
60 1 23 GLN H 1 23 GLN QB 10.000 . 3.500 2.854 2.575 3.223 . 0 0 "[ . 1 .]" 1
61 1 23 GLN H 1 23 GLN HB3 10.000 . 3.520 3.385 2.729 3.901 0.381 4 0 "[ . 1 .]" 1
62 1 23 GLN H 1 23 GLN HG2 10.000 . 4.570 3.552 2.263 4.528 . 0 0 "[ . 1 .]" 1
63 1 23 GLN H 1 23 GLN QG 10.000 . 4.410 3.081 2.218 4.107 . 0 0 "[ . 1 .]" 1
64 1 23 GLN H 1 23 GLN HG3 10.000 . 4.570 3.586 2.833 4.851 0.281 9 0 "[ . 1 .]" 1
65 1 23 GLN HG3 1 24 CYS H . . 5.500 3.898 2.125 5.040 . 0 0 "[ . 1 .]" 1
66 1 24 CYS H 1 24 CYS HB2 10.000 . 3.700 2.478 2.283 3.021 . 0 0 "[ . 1 .]" 1
67 1 24 CYS H 1 24 CYS QB 10.000 . 3.460 2.404 2.257 2.631 . 0 0 "[ . 1 .]" 1
68 1 24 CYS H 1 24 CYS HB3 10.000 . 3.700 3.573 2.533 3.738 0.038 8 0 "[ . 1 .]" 1
69 1 25 THR H 1 25 THR HB 10.000 . 3.830 3.529 2.941 3.805 . 0 0 "[ . 1 .]" 1
70 1 25 THR H 1 25 THR MG 10.000 . 4.420 2.577 1.978 2.990 . 0 0 "[ . 1 .]" 1
71 1 25 THR HA 1 25 THR HB 10.000 . 2.650 2.457 2.403 2.495 . 0 0 "[ . 1 .]" 1
72 1 25 THR HA 1 25 THR MG 10.000 . 3.640 2.562 2.271 3.219 . 0 0 "[ . 1 .]" 1
73 1 26 ASP H 1 26 ASP HA 10.000 . 2.770 2.840 2.772 2.900 0.130 13 0 "[ . 1 .]" 1
74 1 26 ASP H 1 26 ASP HB2 10.000 . 3.170 2.690 2.338 3.500 0.330 7 0 "[ . 1 .]" 1
75 1 26 ASP H 1 26 ASP QB 10.000 . 2.930 2.321 2.137 2.648 . 0 0 "[ . 1 .]" 1
76 1 26 ASP H 1 26 ASP HB3 10.000 . 3.170 2.641 2.395 3.493 0.323 3 0 "[ . 1 .]" 1
77 1 27 VAL H 1 27 VAL HB 10.000 . 2.770 2.719 2.519 2.838 0.068 12 0 "[ . 1 .]" 1
78 1 27 VAL H 1 27 VAL QG 10.000 . 4.250 2.770 2.401 3.086 . 0 0 "[ . 1 .]" 1
79 1 28 ARG H 1 28 ARG HG2 10.000 . 5.500 4.549 3.751 5.214 . 0 0 "[ . 1 .]" 1
80 1 28 ARG H 1 28 ARG HG3 10.000 . 5.500 4.608 3.262 5.072 . 0 0 "[ . 1 .]" 1
81 1 28 ARG HA 1 28 ARG HD2 10.000 . 4.690 3.617 2.314 4.726 0.036 8 0 "[ . 1 .]" 1
82 1 28 ARG HA 1 28 ARG QD 10.000 . 4.530 3.167 2.247 4.208 . 0 0 "[ . 1 .]" 1
83 1 28 ARG HA 1 28 ARG HD3 10.000 . 4.690 3.907 2.268 5.044 0.354 14 0 "[ . 1 .]" 1
84 1 28 ARG HA 1 28 ARG QH1 10.000 . 6.500 4.844 4.363 5.806 . 0 0 "[ . 1 .]" 1
85 1 28 ARG QB 1 28 ARG QH1 10.000 . 5.570 3.646 2.109 4.439 . 0 0 "[ . 1 .]" 1
86 1 28 ARG HB2 1 28 ARG QH2 10.000 . 6.370 4.793 3.722 5.520 . 0 0 "[ . 1 .]" 1
87 1 28 ARG HB3 1 28 ARG QH2 10.000 . 6.370 4.245 3.641 5.548 . 0 0 "[ . 1 .]" 1
88 1 29 GLU H 1 29 GLU HB2 10.000 . 3.050 2.362 2.210 2.626 . 0 0 "[ . 1 .]" 1
89 1 29 GLU H 1 29 GLU QB 10.000 . 2.830 2.183 2.115 2.328 . 0 0 "[ . 1 .]" 1
90 1 29 GLU H 1 29 GLU HB3 10.000 . 3.050 2.623 2.357 2.806 . 0 0 "[ . 1 .]" 1
91 1 29 GLU H 1 29 GLU HG2 10.000 . 4.420 4.496 4.418 4.569 0.149 12 0 "[ . 1 .]" 1
92 1 29 GLU H 1 29 GLU QG 10.000 . 4.250 3.938 3.838 4.012 . 0 0 "[ . 1 .]" 1
93 1 29 GLU H 1 29 GLU HG3 10.000 . 4.420 4.358 4.159 4.502 0.082 9 0 "[ . 1 .]" 1
94 1 29 GLU HA 1 29 GLU HG2 10.000 . 4.260 3.110 2.486 3.760 . 0 0 "[ . 1 .]" 1
95 1 29 GLU HA 1 29 GLU HG3 10.000 . 4.260 2.689 2.373 3.361 . 0 0 "[ . 1 .]" 1
96 1 30 LYS H 1 30 LYS HA 10.000 . 2.900 2.830 2.760 2.964 0.064 10 0 "[ . 1 .]" 1
97 1 30 LYS H 1 30 LYS HB2 10.000 . 3.450 2.860 2.499 3.644 0.194 13 0 "[ . 1 .]" 1
98 1 30 LYS H 1 30 LYS QB 10.000 . 3.010 2.555 2.357 2.865 . 0 0 "[ . 1 .]" 1
99 1 30 LYS H 1 30 LYS HB3 10.000 . 3.450 3.346 2.394 3.654 0.204 10 0 "[ . 1 .]" 1
100 1 30 LYS H 1 30 LYS HG2 10.000 . 4.720 2.777 2.034 3.723 . 0 0 "[ . 1 .]" 1
101 1 30 LYS H 1 30 LYS QG 10.000 . 4.280 2.173 1.944 2.735 . 0 0 "[ . 1 .]" 1
102 1 30 LYS H 1 30 LYS HG3 10.000 . 4.720 2.726 1.975 3.709 . 0 0 "[ . 1 .]" 1
103 1 31 CYS H 1 31 CYS HA 10.000 . 2.800 2.886 2.850 2.937 0.137 13 0 "[ . 1 .]" 1
104 1 31 CYS H 1 31 CYS HB2 10.000 . 3.360 3.105 2.396 3.552 0.192 10 0 "[ . 1 .]" 1
105 1 31 CYS H 1 31 CYS QB 10.000 . 3.060 2.670 2.360 2.914 . 0 0 "[ . 1 .]" 1
106 1 31 CYS H 1 31 CYS HB3 10.000 . 3.360 3.208 2.720 3.572 0.212 14 0 "[ . 1 .]" 1
107 1 32 HIS H 1 32 HIS HA 10.000 . 2.800 2.880 2.810 2.923 0.123 10 0 "[ . 1 .]" 1
108 1 32 HIS H 1 32 HIS HB2 10.000 . 3.520 3.630 3.595 3.657 0.137 2 0 "[ . 1 .]" 1
109 1 32 HIS H 1 32 HIS QB 10.000 . 3.230 2.655 2.537 2.795 . 0 0 "[ . 1 .]" 1
110 1 32 HIS H 1 32 HIS HB3 10.000 . 3.520 2.731 2.589 2.913 . 0 0 "[ . 1 .]" 1
111 1 32 HIS H 1 32 HIS HD2 10.000 . 4.260 2.527 2.250 2.882 . 0 0 "[ . 1 .]" 1
112 1 32 HIS HA 1 32 HIS HD2 10.000 . 4.500 4.479 4.349 4.573 0.073 1 0 "[ . 1 .]" 1
113 1 32 HIS QB 1 32 HIS HD2 10.000 . 3.400 2.704 2.614 2.772 . 0 0 "[ . 1 .]" 1
114 1 32 HIS HB2 1 32 HIS HD2 10.000 . 3.800 3.844 3.766 3.889 0.089 3 0 "[ . 1 .]" 1
115 1 32 HIS HB3 1 32 HIS HD2 10.000 . 3.800 2.763 2.666 2.838 . 0 0 "[ . 1 .]" 1
116 1 33 SER H 1 33 SER HA 10.000 . 2.870 2.801 2.746 2.876 0.006 15 0 "[ . 1 .]" 1
117 1 33 SER H 1 33 SER HB2 10.000 . 2.990 2.425 2.369 2.506 . 0 0 "[ . 1 .]" 1
118 1 33 SER H 1 33 SER HB3 10.000 . 2.990 2.560 2.474 2.625 . 0 0 "[ . 1 .]" 1
119 1 33 SER HA 1 33 SER HB2 10.000 . 2.830 2.466 2.408 2.515 . 0 0 "[ . 1 .]" 1
120 1 33 SER HA 1 33 SER HB3 10.000 . 2.830 3.014 3.003 3.019 0.189 2 0 "[ . 1 .]" 1
121 1 35 CYS H 1 35 CYS HA 10.000 . 2.900 2.967 2.932 2.985 0.085 9 0 "[ . 1 .]" 1
122 1 35 CYS H 1 35 CYS QB 10.000 . 3.740 2.523 2.357 2.675 . 0 0 "[ . 1 .]" 1
123 1 36 LYS H 1 36 LYS HB2 10.000 . 3.420 2.410 2.267 2.676 . 0 0 "[ . 1 .]" 1
124 1 36 LYS H 1 36 LYS QB 10.000 . 3.150 2.299 2.212 2.374 . 0 0 "[ . 1 .]" 1
125 1 36 LYS H 1 36 LYS HB3 10.000 . 3.420 3.212 2.435 3.592 0.172 4 0 "[ . 1 .]" 1
126 1 36 LYS H 1 36 LYS HG2 10.000 . 4.760 3.970 2.920 4.595 . 0 0 "[ . 1 .]" 1
127 1 36 LYS H 1 36 LYS QG 10.000 . 4.440 3.284 2.445 4.024 . 0 0 "[ . 1 .]" 1
128 1 36 LYS H 1 36 LYS HG3 10.000 . 4.760 3.677 2.483 4.565 . 0 0 "[ . 1 .]" 1
129 1 36 LYS HA 1 36 LYS HG2 10.000 . 4.170 2.741 2.399 3.700 . 0 0 "[ . 1 .]" 1
130 1 36 LYS HA 1 36 LYS QG 10.000 . 3.960 2.397 2.200 2.914 . 0 0 "[ . 1 .]" 1
131 1 36 LYS HA 1 36 LYS HG3 10.000 . 4.170 2.943 2.272 3.786 . 0 0 "[ . 1 .]" 1
132 1 37 SER H 1 37 SER HB2 10.000 . 3.170 3.016 2.852 3.484 0.314 9 0 "[ . 1 .]" 1
133 1 37 SER H 1 37 SER QB 10.000 . 2.970 2.477 2.419 2.851 . 0 0 "[ . 1 .]" 1
134 1 37 SER H 1 37 SER HB3 10.000 . 3.170 2.639 2.555 3.026 . 0 0 "[ . 1 .]" 1
135 1 38 CYS H 1 38 CYS HB2 10.000 . 3.210 3.217 2.913 3.400 0.190 6 0 "[ . 1 .]" 1
136 1 38 CYS H 1 38 CYS QB 10.000 . 3.020 2.590 2.311 2.769 . 0 0 "[ . 1 .]" 1
137 1 38 CYS H 1 38 CYS HB3 10.000 . 3.210 2.734 2.424 2.970 . 0 0 "[ . 1 .]" 1
138 1 39 LEU H 1 39 LEU HB2 10.000 . 3.300 3.121 2.644 3.352 0.052 10 0 "[ . 1 .]" 1
139 1 39 LEU H 1 39 LEU HB3 10.000 . 3.300 3.038 2.799 3.312 0.012 9 0 "[ . 1 .]" 1
140 1 39 LEU H 1 39 LEU HG 10.000 . 4.880 4.708 4.464 4.923 0.043 3 0 "[ . 1 .]" 1
141 1 39 LEU H 1 49 ARG H . . 3.550 3.115 2.974 3.307 . 0 0 "[ . 1 .]" 1
142 1 40 CYS H 1 40 CYS HB2 10.000 . 3.800 2.796 2.684 2.905 . 0 0 "[ . 1 .]" 1
143 1 40 CYS H 1 40 CYS QB 10.000 . 3.250 2.731 2.632 2.819 . 0 0 "[ . 1 .]" 1
144 1 40 CYS H 1 40 CYS HB3 10.000 . 3.550 3.830 3.776 3.885 0.335 9 0 "[ . 1 .]" 1
145 1 41 THR H 1 41 THR HB 10.000 . 3.550 3.138 2.640 3.610 0.060 4 0 "[ . 1 .]" 1
146 1 41 THR H 1 41 THR MG 10.000 . 3.890 2.249 2.086 2.592 . 0 0 "[ . 1 .]" 1
147 1 41 THR HA 1 41 THR HB 10.000 . 2.460 2.458 2.421 2.505 0.045 15 0 "[ . 1 .]" 1
148 1 42 ARG H 1 42 ARG HB2 10.000 . 3.480 3.472 2.438 3.657 0.177 6 0 "[ . 1 .]" 1
149 1 42 ARG H 1 42 ARG HB3 10.000 . 3.480 2.925 2.613 3.602 0.122 5 0 "[ . 1 .]" 1
150 1 42 ARG H 1 42 ARG HG2 10.000 . 3.420 2.219 1.961 3.443 0.023 5 0 "[ . 1 .]" 1
151 1 42 ARG H 1 42 ARG QG 10.000 . 2.960 2.045 1.921 2.377 . 0 0 "[ . 1 .]" 1
152 1 42 ARG H 1 42 ARG HG3 10.000 . 3.420 2.887 2.400 3.256 . 0 0 "[ . 1 .]" 1
153 1 42 ARG HA 1 42 ARG HG2 10.000 . 3.980 3.610 2.422 3.819 . 0 0 "[ . 1 .]" 1
154 1 42 ARG HA 1 42 ARG QG 10.000 . 3.590 3.226 2.357 3.368 . 0 0 "[ . 1 .]" 1
155 1 42 ARG HA 1 42 ARG HG3 10.000 . 3.980 3.679 3.215 3.770 . 0 0 "[ . 1 .]" 1
156 1 42 ARG QB 1 42 ARG QG 10.000 . 2.390 2.111 2.101 2.118 . 0 0 "[ . 1 .]" 1
157 1 43 SER H 1 43 SER HA 10.000 . 2.700 2.849 2.811 2.890 0.190 4 0 "[ . 1 .]" 1
158 1 43 SER H 1 43 SER HB2 10.000 . 3.360 2.884 2.397 3.524 0.164 2 0 "[ . 1 .]" 1
159 1 43 SER H 1 43 SER QB 10.000 . 3.070 2.549 2.360 2.861 . 0 0 "[ . 1 .]" 1
160 1 43 SER H 1 43 SER HB3 10.000 . 3.360 3.239 2.615 3.535 0.175 10 0 "[ . 1 .]" 1
161 1 44 PHE H 1 44 PHE HB2 10.000 . 3.140 3.184 3.035 3.549 0.409 4 0 "[ . 1 .]" 1
162 1 44 PHE H 1 44 PHE HB3 10.000 . 3.140 2.792 2.604 3.242 0.102 4 0 "[ . 1 .]" 1
163 1 44 PHE HA 1 44 PHE HB2 10.000 . 3.050 2.457 2.401 2.605 . 0 0 "[ . 1 .]" 1
164 1 44 PHE HA 1 44 PHE QB 10.000 . 2.760 2.313 2.116 2.388 . 0 0 "[ . 1 .]" 1
165 1 44 PHE HA 1 44 PHE HB3 10.000 . 3.050 2.919 2.259 3.026 . 0 0 "[ . 1 .]" 1
166 1 47 GLN H 1 47 GLN HB2 10.000 . 3.420 2.612 2.279 3.621 0.201 13 0 "[ . 1 .]" 1
167 1 47 GLN H 1 47 GLN QB 10.000 . 3.110 2.459 2.253 2.846 . 0 0 "[ . 1 .]" 1
168 1 47 GLN H 1 47 GLN HB3 10.000 . 3.420 3.390 2.866 3.627 0.207 4 0 "[ . 1 .]" 1
169 1 47 GLN HA 1 47 GLN HB2 10.000 . 3.050 2.908 2.448 3.054 0.004 4 0 "[ . 1 .]" 1
170 1 47 GLN HA 1 47 GLN HB3 10.000 . 3.050 2.643 2.404 3.053 0.003 3 0 "[ . 1 .]" 1
171 1 47 GLN HB2 1 47 GLN HE22 10.000 . 4.970 4.206 3.606 5.137 0.167 8 0 "[ . 1 .]" 1
172 1 47 GLN HB3 1 47 GLN HE22 10.000 . 4.970 4.342 3.549 5.158 0.188 6 0 "[ . 1 .]" 1
173 1 48 CYS H 1 48 CYS HB2 10.000 . 3.480 2.423 2.283 2.776 . 0 0 "[ . 1 .]" 1
174 1 48 CYS H 1 48 CYS QB 10.000 . 3.220 2.371 2.258 2.553 . 0 0 "[ . 1 .]" 1
175 1 48 CYS H 1 48 CYS HB3 10.000 . 3.480 3.532 2.980 3.679 0.199 8 0 "[ . 1 .]" 1
176 1 49 ARG H 1 49 ARG HB2 10.000 . 3.760 3.149 2.758 3.888 0.128 15 0 "[ . 1 .]" 1
177 1 49 ARG H 1 49 ARG QB 10.000 . 3.200 2.712 2.550 2.867 . 0 0 "[ . 1 .]" 1
178 1 49 ARG H 1 49 ARG HB3 10.000 . 3.760 3.223 2.651 3.846 0.086 10 0 "[ . 1 .]" 1
179 1 49 ARG H 1 49 ARG QH1 10.000 . 6.370 4.185 2.093 5.441 . 0 0 "[ . 1 .]" 1
180 1 49 ARG HA 1 49 ARG QD 10.000 . 4.450 3.984 3.684 4.174 . 0 0 "[ . 1 .]" 1
181 1 49 ARG QB 1 49 ARG QH1 10.000 . 5.880 2.722 2.111 4.093 . 0 0 "[ . 1 .]" 1
182 1 50 CYS H 1 50 CYS HB2 10.000 . 3.330 2.746 2.212 3.328 . 0 0 "[ . 1 .]" 1
183 1 50 CYS H 1 50 CYS HB3 10.000 . 3.330 2.776 2.370 3.523 0.193 3 0 "[ . 1 .]" 1
184 1 51 TYR H 1 51 TYR HB2 10.000 . 3.300 2.672 2.388 3.046 . 0 0 "[ . 1 .]" 1
185 1 51 TYR H 1 51 TYR QB 10.000 . 3.050 2.407 2.275 2.767 . 0 0 "[ . 1 .]" 1
186 1 51 TYR H 1 51 TYR HB3 10.000 . 3.300 2.801 2.575 3.176 . 0 0 "[ . 1 .]" 1
187 1 53 ILE H 1 53 ILE HB 10.000 . 2.800 2.571 2.395 2.713 . 0 0 "[ . 1 .]" 1
188 1 53 ILE H 1 53 ILE MD 10.000 . 5.660 3.552 3.177 4.072 . 0 0 "[ . 1 .]" 1
189 1 53 ILE H 1 53 ILE QG 10.000 . 5.110 2.607 2.264 3.102 . 0 0 "[ . 1 .]" 1
190 1 53 ILE HA 1 53 ILE MD 10.000 . 4.300 2.224 2.176 2.316 . 0 0 "[ . 1 .]" 1
191 1 54 THR HA 1 54 THR HB 10.000 . 2.900 2.548 2.458 2.599 . 0 0 "[ . 1 .]" 1
192 1 55 ASP H 1 55 ASP HB2 10.000 . 3.520 2.632 2.373 3.571 0.051 9 0 "[ . 1 .]" 1
193 1 55 ASP H 1 55 ASP QB 10.000 . 3.310 2.395 2.219 2.620 . 0 0 "[ . 1 .]" 1
194 1 55 ASP H 1 55 ASP HB3 10.000 . 3.520 3.052 2.411 3.664 0.144 4 0 "[ . 1 .]" 1
195 1 56 PHE H 1 56 PHE HB2 10.000 . 3.700 3.713 3.607 3.808 0.108 13 0 "[ . 1 .]" 1
196 1 56 PHE H 1 56 PHE QB 10.000 . 3.430 3.012 2.787 3.215 . 0 0 "[ . 1 .]" 1
197 1 56 PHE H 1 56 PHE HB3 10.000 . 3.700 3.191 2.889 3.465 . 0 0 "[ . 1 .]" 1
198 1 57 CYS H 1 57 CYS HB2 10.000 . 3.270 3.164 2.305 3.343 0.073 11 0 "[ . 1 .]" 1
199 1 57 CYS H 1 57 CYS QB 10.000 . 3.040 2.578 2.276 2.901 . 0 0 "[ . 1 .]" 1
200 1 57 CYS H 1 57 CYS HB3 10.000 . 3.270 2.808 2.408 3.521 0.251 8 0 "[ . 1 .]" 1
201 1 58 TYR H 1 58 TYR HB2 10.000 . 3.390 2.364 2.251 2.692 . 0 0 "[ . 1 .]" 1
202 1 58 TYR H 1 58 TYR QB 10.000 . 3.150 2.329 2.226 2.618 . 0 0 "[ . 1 .]" 1
203 1 58 TYR H 1 58 TYR HB3 10.000 . 3.390 3.534 3.504 3.578 0.188 8 0 "[ . 1 .]" 1
204 1 60 SER H 1 60 SER HA 10.000 . 2.710 2.762 2.730 2.810 0.100 12 0 "[ . 1 .]" 1
205 1 60 SER H 1 60 SER HB2 10.000 . 3.300 3.387 2.688 3.493 0.193 12 0 "[ . 1 .]" 1
206 1 60 SER H 1 60 SER HB3 10.000 . 3.300 2.972 2.738 3.504 0.204 3 0 "[ . 1 .]" 1
207 1 60 SER HA 1 60 SER HB2 10.000 . 3.000 2.701 2.556 2.984 . 0 0 "[ . 1 .]" 1
208 1 60 SER HA 1 60 SER HB3 10.000 . 3.000 2.219 2.157 2.353 . 0 0 "[ . 1 .]" 1
209 1 61 CYS H 1 61 CYS HB2 10.000 . 3.170 2.334 2.231 2.421 . 0 0 "[ . 1 .]" 1
210 1 61 CYS H 1 61 CYS QB 10.000 . 2.960 2.249 2.168 2.325 . 0 0 "[ . 1 .]" 1
211 1 61 CYS H 1 61 CYS HB3 10.000 . 3.170 2.953 2.815 3.163 . 0 0 "[ . 1 .]" 1
212 1 62 SER H 1 62 SER HB2 10.000 . 3.610 3.152 2.420 3.752 0.142 7 0 "[ . 1 .]" 1
213 1 62 SER H 1 62 SER HB3 10.000 . 3.610 3.028 2.466 3.858 0.248 2 0 "[ . 1 .]" 1
214 1 62 SER HA 1 62 SER QB . . 2.700 2.321 2.185 2.393 . 0 0 "[ . 1 .]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:28:28 AM GMT (wattos1)