NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621602 |
5xdj   |
36069 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xdj
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 175
_Distance_constraint_stats_list.Viol_count 1211
_Distance_constraint_stats_list.Viol_total 1271.226
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0358
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0182
_Distance_constraint_stats_list.Viol_average_violations_only 0.0525
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 6.776 0.192 14 0 "[ . 1 . 2]"
1 3 PHE 3.404 0.108 18 0 "[ . 1 . 2]"
1 4 SER 8.836 0.192 14 0 "[ . 1 . 2]"
1 5 LYS 6.284 0.267 16 0 "[ . 1 . 2]"
1 6 LEU 3.232 0.144 16 0 "[ . 1 . 2]"
1 7 ALA 6.584 0.267 16 0 "[ . 1 . 2]"
1 8 GLY 1.207 0.068 12 0 "[ . 1 . 2]"
1 9 LYS 8.112 0.192 8 0 "[ . 1 . 2]"
1 10 LYS 9.440 0.194 6 0 "[ . 1 . 2]"
1 11 ILE 8.550 0.192 8 0 "[ . 1 . 2]"
1 12 LYS 8.105 0.246 7 0 "[ . 1 . 2]"
1 13 ASN 8.674 0.246 7 0 "[ . 1 . 2]"
1 14 LEU 4.500 0.113 10 0 "[ . 1 . 2]"
1 15 LEU 8.494 0.164 1 0 "[ . 1 . 2]"
1 16 ILE 6.825 0.176 5 0 "[ . 1 . 2]"
1 17 SER 10.557 0.216 19 0 "[ . 1 . 2]"
1 18 GLY 3.272 0.164 1 0 "[ . 1 . 2]"
1 19 LEU 6.417 0.216 19 0 "[ . 1 . 2]"
1 20 LYS 2.291 0.187 19 0 "[ . 1 . 2]"
1 21 GLY 0.519 0.075 5 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 GLY QA 1 2 ILE H . . 3.500 2.461 2.114 2.866 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 3 PHE H . . 4.400 3.653 3.313 4.163 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE HB . . 4.200 3.603 3.596 3.611 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE MD . . 4.000 3.236 1.820 3.707 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE QG . . 4.000 2.049 1.990 2.193 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 3 PHE H . . 3.000 2.698 2.360 2.828 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 4 SER H . . 4.200 3.911 3.632 4.019 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE HA 1 3 PHE H . . 3.500 3.528 3.518 3.539 0.039 16 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 5 LYS H . . 3.600 3.677 3.630 3.709 0.109 18 0 "[ . 1 . 2]" 1
10 1 2 ILE HA 1 6 LEU H . . 4.200 4.134 4.076 4.215 0.015 18 0 "[ . 1 . 2]" 1
11 1 2 ILE HB 1 3 PHE H . . 4.200 3.554 3.492 3.629 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE HB 1 4 SER H . . 5.200 5.316 5.282 5.339 0.139 18 0 "[ . 1 . 2]" 1
13 1 2 ILE MD 1 3 PHE H . . 4.000 2.803 2.585 3.298 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE MD 1 3 PHE QD . . 4.000 2.971 1.903 3.981 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE MD 1 3 PHE QE . . 4.400 3.173 2.805 3.820 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE MD 1 3 PHE HZ . . 4.400 3.970 3.335 4.425 0.025 14 0 "[ . 1 . 2]" 1
17 1 2 ILE MD 1 4 SER H . . 4.700 4.756 4.705 4.892 0.192 14 0 "[ . 1 . 2]" 1
18 1 2 ILE QG 1 3 PHE H . . 4.000 1.857 1.809 1.884 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE QG 1 4 SER H . . 4.000 4.054 4.037 4.082 0.082 14 0 "[ . 1 . 2]" 1
20 1 3 PHE H 1 4 SER H . . 3.000 2.428 2.358 2.502 . 0 0 "[ . 1 . 2]" 1
21 1 3 PHE H 1 5 LYS H . . 4.200 4.195 4.069 4.261 0.061 16 0 "[ . 1 . 2]" 1
22 1 3 PHE HA 1 4 SER H . . 3.500 3.459 3.451 3.470 . 0 0 "[ . 1 . 2]" 1
23 1 3 PHE HA 1 5 LYS H . . 4.400 4.434 4.367 4.451 0.051 11 0 "[ . 1 . 2]" 1
24 1 3 PHE HA 1 6 LEU H . . 3.400 3.455 3.422 3.508 0.108 18 0 "[ . 1 . 2]" 1
25 1 3 PHE HA 1 6 LEU QB . . 3.800 2.517 2.403 3.140 . 0 0 "[ . 1 . 2]" 1
26 1 3 PHE HA 1 7 ALA H . . 4.200 4.228 4.217 4.298 0.098 16 0 "[ . 1 . 2]" 1
27 1 3 PHE QB 1 4 SER H . . 4.200 2.938 2.907 2.979 . 0 0 "[ . 1 . 2]" 1
28 1 3 PHE QD 1 6 LEU QD . . 3.000 2.522 1.985 3.018 0.018 11 0 "[ . 1 . 2]" 1
29 1 3 PHE QE 1 6 LEU QD . . 3.800 3.323 2.918 3.836 0.036 15 0 "[ . 1 . 2]" 1
30 1 4 SER H 1 5 LYS H . . 3.000 2.525 2.452 2.582 . 0 0 "[ . 1 . 2]" 1
31 1 4 SER HA 1 5 LYS H . . 3.500 3.534 3.520 3.536 0.036 11 0 "[ . 1 . 2]" 1
32 1 4 SER HA 1 6 LEU H . . 4.400 4.450 4.426 4.544 0.144 16 0 "[ . 1 . 2]" 1
33 1 4 SER QB 1 5 LYS H . . 4.200 2.554 2.540 2.647 . 0 0 "[ . 1 . 2]" 1
34 1 4 SER QB 1 7 ALA H . . 4.700 4.832 4.809 4.850 0.150 11 0 "[ . 1 . 2]" 1
35 1 5 LYS H 1 5 LYS QD . . 4.000 3.542 3.287 3.571 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS H 1 5 LYS QG . . 4.000 2.006 1.875 3.943 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS H 1 6 LEU H . . 3.000 2.464 2.444 2.501 . 0 0 "[ . 1 . 2]" 1
38 1 5 LYS H 1 7 ALA H . . 4.200 3.828 3.790 3.862 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS HA 1 6 LEU H . . 3.500 3.510 3.506 3.526 0.026 16 0 "[ . 1 . 2]" 1
40 1 5 LYS HA 1 7 ALA H . . 4.400 3.868 3.767 3.971 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS QB 1 6 LEU H . . 4.200 3.439 2.926 3.478 . 0 0 "[ . 1 . 2]" 1
42 1 5 LYS QB 1 7 ALA H . . 4.800 4.793 4.599 4.853 0.053 10 0 "[ . 1 . 2]" 1
43 1 5 LYS QD 1 6 LEU H . . 4.000 2.292 2.232 2.379 . 0 0 "[ . 1 . 2]" 1
44 1 5 LYS QD 1 7 ALA H . . 4.200 4.297 4.286 4.304 0.104 15 0 "[ . 1 . 2]" 1
45 1 5 LYS QG 1 6 LEU H . . 4.000 2.287 2.170 3.444 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS QG 1 7 ALA H . . 4.400 4.438 4.364 4.667 0.267 16 0 "[ . 1 . 2]" 1
47 1 6 LEU H 1 6 LEU QD . . 4.400 3.663 2.993 3.756 . 0 0 "[ . 1 . 2]" 1
48 1 6 LEU H 1 6 LEU HG . . 4.200 4.114 3.173 4.316 0.116 10 0 "[ . 1 . 2]" 1
49 1 6 LEU H 1 7 ALA H . . 3.000 2.494 2.478 2.539 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU HA 1 7 ALA H . . 3.500 3.417 3.388 3.444 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU HA 1 8 GLY H . . 4.400 3.774 3.702 3.896 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU QB 1 7 ALA H . . 4.200 3.170 3.115 3.503 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU QB 1 9 LYS H . . 4.800 4.808 4.747 4.819 0.019 7 0 "[ . 1 . 2]" 1
54 1 6 LEU QD 1 7 ALA H . . 4.000 3.880 2.547 4.044 0.044 16 0 "[ . 1 . 2]" 1
55 1 6 LEU QD 1 9 LYS H . . 4.700 3.281 3.080 4.168 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU HG 1 7 ALA H . . 4.000 3.690 2.633 3.877 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA H 1 8 GLY H . . 3.000 2.759 2.674 2.802 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA H 1 9 LYS H . . 4.200 4.191 4.063 4.206 0.006 10 0 "[ . 1 . 2]" 1
59 1 7 ALA HA 1 8 GLY H . . 3.500 3.512 3.498 3.529 0.029 7 0 "[ . 1 . 2]" 1
60 1 7 ALA HA 1 9 LYS H . . 4.200 3.741 3.661 4.019 . 0 0 "[ . 1 . 2]" 1
61 1 7 ALA MB 1 8 GLY H . . 4.200 2.717 2.629 2.861 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLY H 1 9 LYS H . . 3.000 2.677 2.462 2.736 . 0 0 "[ . 1 . 2]" 1
63 1 8 GLY QA 1 9 LYS H . . 3.500 2.860 2.854 2.862 . 0 0 "[ . 1 . 2]" 1
64 1 8 GLY QA 1 12 LYS H . . 4.200 4.248 4.229 4.268 0.068 12 0 "[ . 1 . 2]" 1
65 1 9 LYS H 1 9 LYS QD . . 4.200 4.272 4.251 4.286 0.086 14 0 "[ . 1 . 2]" 1
66 1 9 LYS H 1 9 LYS QG . . 4.200 3.961 3.948 3.977 . 0 0 "[ . 1 . 2]" 1
67 1 9 LYS H 1 10 LYS H . . 3.000 2.657 2.616 2.680 . 0 0 "[ . 1 . 2]" 1
68 1 9 LYS H 1 11 ILE H . . 4.200 3.896 3.848 3.954 . 0 0 "[ . 1 . 2]" 1
69 1 9 LYS HA 1 10 LYS H . . 3.500 3.570 3.569 3.571 0.071 11 0 "[ . 1 . 2]" 1
70 1 9 LYS HA 1 11 ILE H . . 4.400 4.542 4.514 4.592 0.192 8 0 "[ . 1 . 2]" 1
71 1 9 LYS HA 1 13 ASN H . . 4.400 4.459 4.409 4.513 0.113 9 0 "[ . 1 . 2]" 1
72 1 9 LYS QB 1 10 LYS H . . 4.200 2.138 2.043 2.249 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS QB 1 12 LYS H . . 4.900 4.851 4.785 4.966 0.066 17 0 "[ . 1 . 2]" 1
74 1 9 LYS QD 1 10 LYS H . . 4.000 3.690 3.423 4.001 0.001 15 0 "[ . 1 . 2]" 1
75 1 9 LYS QD 1 12 LYS H . . 4.000 4.023 4.018 4.040 0.040 9 0 "[ . 1 . 2]" 1
76 1 9 LYS QG 1 10 LYS H . . 4.000 3.470 2.874 4.049 0.049 9 0 "[ . 1 . 2]" 1
77 1 10 LYS H 1 10 LYS QD . . 4.200 4.246 4.222 4.282 0.082 8 0 "[ . 1 . 2]" 1
78 1 10 LYS H 1 10 LYS QG . . 4.200 3.960 3.946 3.981 . 0 0 "[ . 1 . 2]" 1
79 1 10 LYS H 1 11 ILE H . . 3.000 2.912 2.889 2.961 . 0 0 "[ . 1 . 2]" 1
80 1 10 LYS HA 1 11 ILE H . . 3.500 3.553 3.549 3.558 0.058 17 0 "[ . 1 . 2]" 1
81 1 10 LYS HA 1 12 LYS H . . 4.400 4.221 4.183 4.413 0.013 9 0 "[ . 1 . 2]" 1
82 1 10 LYS QB 1 11 ILE H . . 4.200 2.543 2.388 2.615 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS QB 1 13 ASN H . . 4.800 4.831 4.771 4.924 0.124 17 0 "[ . 1 . 2]" 1
84 1 10 LYS QD 1 11 ILE H . . 4.000 3.782 2.922 4.152 0.152 14 0 "[ . 1 . 2]" 1
85 1 10 LYS QD 1 13 ASN H . . 4.000 4.069 3.983 4.194 0.194 6 0 "[ . 1 . 2]" 1
86 1 10 LYS QG 1 11 ILE H . . 4.000 3.288 2.983 4.119 0.119 8 0 "[ . 1 . 2]" 1
87 1 10 LYS QG 1 13 ASN H . . 4.800 4.892 4.815 4.960 0.160 17 0 "[ . 1 . 2]" 1
88 1 11 ILE H 1 11 ILE HB . . 4.200 3.613 3.612 3.614 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE H 1 11 ILE MD . . 4.300 3.771 3.676 3.794 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE H 1 11 ILE QG . . 4.300 2.180 2.024 2.215 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE H 1 11 ILE MG . . 4.300 2.015 1.981 2.195 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE H 1 12 LYS H . . 3.000 2.728 2.703 2.803 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE HA 1 12 LYS H . . 3.600 3.517 3.513 3.543 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE HA 1 14 LEU H . . 3.500 3.519 3.412 3.542 0.042 7 0 "[ . 1 . 2]" 1
95 1 11 ILE HA 1 15 LEU H . . 4.200 4.229 4.209 4.344 0.144 17 0 "[ . 1 . 2]" 1
96 1 11 ILE HB 1 12 LYS H . . 3.800 3.792 3.565 3.822 0.022 20 0 "[ . 1 . 2]" 1
97 1 11 ILE MD 1 12 LYS H . . 3.300 2.499 2.210 2.609 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE QG 1 12 LYS H . . 3.300 1.923 1.859 1.933 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MG 1 12 LYS H . . 3.800 3.881 3.872 3.929 0.129 17 0 "[ . 1 . 2]" 1
100 1 12 LYS H 1 12 LYS QD . . 4.300 4.370 4.289 4.384 0.084 15 0 "[ . 1 . 2]" 1
101 1 12 LYS H 1 13 ASN H . . 3.000 2.481 2.452 2.641 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS H 1 14 LEU H . . 4.200 4.030 3.964 4.082 . 0 0 "[ . 1 . 2]" 1
103 1 12 LYS HA 1 13 ASN H . . 4.300 3.485 3.475 3.513 . 0 0 "[ . 1 . 2]" 1
104 1 12 LYS HA 1 15 LEU H . . 3.400 3.372 3.336 3.412 0.012 5 0 "[ . 1 . 2]" 1
105 1 12 LYS HA 1 16 ILE H . . 4.200 4.098 4.016 4.238 0.038 9 0 "[ . 1 . 2]" 1
106 1 12 LYS QB 1 13 ASN H . . 4.000 2.854 2.802 2.879 . 0 0 "[ . 1 . 2]" 1
107 1 12 LYS QB 1 15 LEU H . . 4.900 4.979 4.947 5.017 0.117 17 0 "[ . 1 . 2]" 1
108 1 12 LYS QD 1 13 ASN H . . 4.000 4.032 4.002 4.246 0.246 7 0 "[ . 1 . 2]" 1
109 1 12 LYS QD 1 15 LEU H . . 4.500 4.459 4.195 4.510 0.010 11 0 "[ . 1 . 2]" 1
110 1 12 LYS QG 1 13 ASN H . . 4.600 4.514 3.196 4.659 0.059 19 0 "[ . 1 . 2]" 1
111 1 13 ASN H 1 14 LEU H . . 3.000 2.487 2.468 2.543 . 0 0 "[ . 1 . 2]" 1
112 1 13 ASN H 1 15 LEU H . . 4.200 3.967 3.921 4.181 . 0 0 "[ . 1 . 2]" 1
113 1 13 ASN HA 1 14 LEU H . . 3.500 3.491 3.430 3.508 0.008 6 0 "[ . 1 . 2]" 1
114 1 13 ASN HA 1 15 LEU H . . 4.400 4.423 4.393 4.499 0.099 9 0 "[ . 1 . 2]" 1
115 1 13 ASN HA 1 17 SER H . . 4.300 4.376 4.355 4.413 0.113 7 0 "[ . 1 . 2]" 1
116 1 13 ASN QB 1 14 LEU H . . 4.200 2.805 2.731 3.005 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU H 1 14 LEU QD . . 4.300 3.748 3.728 3.778 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU H 1 15 LEU H . . 3.000 2.386 2.342 2.457 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU H 1 16 ILE H . . 4.200 4.134 4.023 4.202 0.002 7 0 "[ . 1 . 2]" 1
120 1 14 LEU HA 1 15 LEU H . . 3.500 3.508 3.500 3.525 0.025 9 0 "[ . 1 . 2]" 1
121 1 14 LEU HA 1 16 ILE H . . 4.400 4.458 4.439 4.502 0.102 19 0 "[ . 1 . 2]" 1
122 1 14 LEU HA 1 17 SER H . . 3.400 3.396 3.370 3.424 0.024 10 0 "[ . 1 . 2]" 1
123 1 14 LEU HA 1 18 GLY H . . 4.200 3.876 3.800 3.966 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU QB 1 15 LEU H . . 4.200 2.711 2.627 2.747 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU QB 1 17 SER H . . 4.900 4.982 4.946 5.013 0.113 10 0 "[ . 1 . 2]" 1
126 1 14 LEU QD 1 15 LEU H . . 4.000 3.950 3.891 3.973 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU QD 1 17 SER H . . 4.000 4.044 4.031 4.050 0.050 9 0 "[ . 1 . 2]" 1
128 1 14 LEU HG 1 15 LEU H . . 4.000 3.901 3.771 3.946 . 0 0 "[ . 1 . 2]" 1
129 1 15 LEU H 1 15 LEU QD . . 4.000 3.475 2.302 3.630 . 0 0 "[ . 1 . 2]" 1
130 1 15 LEU H 1 16 ILE H . . 3.000 2.687 2.653 2.720 . 0 0 "[ . 1 . 2]" 1
131 1 15 LEU H 1 17 SER H . . 4.200 4.008 3.949 4.079 . 0 0 "[ . 1 . 2]" 1
132 1 15 LEU HA 1 16 ILE H . . 3.500 3.546 3.543 3.550 0.050 19 0 "[ . 1 . 2]" 1
133 1 15 LEU HA 1 17 SER H . . 4.400 4.397 4.323 4.445 0.045 7 0 "[ . 1 . 2]" 1
134 1 15 LEU HA 1 19 LEU H . . 4.200 4.245 4.225 4.352 0.152 19 0 "[ . 1 . 2]" 1
135 1 15 LEU QB 1 16 ILE H . . 4.200 2.475 2.421 2.601 . 0 0 "[ . 1 . 2]" 1
136 1 15 LEU QB 1 18 GLY H . . 4.800 4.933 4.853 4.964 0.164 1 0 "[ . 1 . 2]" 1
137 1 15 LEU QD 1 16 ILE H . . 4.000 3.757 2.560 3.978 . 0 0 "[ . 1 . 2]" 1
138 1 15 LEU QD 1 18 GLY H . . 4.600 4.592 4.534 4.694 0.094 6 0 "[ . 1 . 2]" 1
139 1 15 LEU HG 1 16 ILE H . . 4.000 4.020 4.003 4.107 0.107 9 0 "[ . 1 . 2]" 1
140 1 16 ILE H 1 16 ILE HB . . 3.800 2.932 2.598 3.621 . 0 0 "[ . 1 . 2]" 1
141 1 16 ILE H 1 16 ILE MD . . 4.300 4.031 3.159 4.389 0.089 9 0 "[ . 1 . 2]" 1
142 1 16 ILE H 1 16 ILE QG . . 4.100 3.287 1.929 4.052 . 0 0 "[ . 1 . 2]" 1
143 1 16 ILE H 1 16 ILE MG . . 4.100 2.125 1.897 3.768 . 0 0 "[ . 1 . 2]" 1
144 1 16 ILE H 1 17 SER H . . 3.000 2.576 2.534 2.620 . 0 0 "[ . 1 . 2]" 1
145 1 16 ILE H 1 18 GLY H . . 4.200 4.006 3.937 4.073 . 0 0 "[ . 1 . 2]" 1
146 1 16 ILE HA 1 17 SER H . . 3.500 3.517 3.507 3.528 0.028 7 0 "[ . 1 . 2]" 1
147 1 16 ILE HA 1 18 GLY H . . 4.400 4.348 4.249 4.413 0.013 17 0 "[ . 1 . 2]" 1
148 1 16 ILE HA 1 19 LEU H . . 3.400 3.492 3.465 3.576 0.176 5 0 "[ . 1 . 2]" 1
149 1 16 ILE HB 1 17 SER H . . 4.200 3.858 2.657 4.051 . 0 0 "[ . 1 . 2]" 1
150 1 16 ILE MD 1 17 SER H . . 4.200 3.950 2.405 4.295 0.095 12 0 "[ . 1 . 2]" 1
151 1 16 ILE QG 1 17 SER H . . 4.000 3.207 2.011 3.988 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE MG 1 17 SER H . . 4.000 2.694 1.898 3.977 . 0 0 "[ . 1 . 2]" 1
153 1 17 SER H 1 18 GLY H . . 3.000 2.484 2.438 2.536 . 0 0 "[ . 1 . 2]" 1
154 1 17 SER HA 1 18 GLY H . . 3.500 3.509 3.488 3.523 0.023 9 0 "[ . 1 . 2]" 1
155 1 17 SER HA 1 19 LEU H . . 4.400 4.062 4.047 4.099 . 0 0 "[ . 1 . 2]" 1
156 1 17 SER HA 1 20 LYS H . . 3.400 3.456 3.428 3.469 0.069 5 0 "[ . 1 . 2]" 1
157 1 17 SER QB 1 18 GLY H . . 4.200 2.835 2.746 2.925 . 0 0 "[ . 1 . 2]" 1
158 1 17 SER QB 1 19 LEU H . . 4.400 4.559 4.514 4.616 0.216 19 0 "[ . 1 . 2]" 1
159 1 18 GLY H 1 19 LEU H . . 3.000 2.434 2.390 2.527 . 0 0 "[ . 1 . 2]" 1
160 1 18 GLY QA 1 19 LEU H . . 3.500 2.869 2.830 2.874 . 0 0 "[ . 1 . 2]" 1
161 1 18 GLY QA 1 20 LYS H . . 4.400 3.951 3.888 4.264 . 0 0 "[ . 1 . 2]" 1
162 1 19 LEU H 1 19 LEU QB . . 3.800 2.320 2.238 2.572 . 0 0 "[ . 1 . 2]" 1
163 1 19 LEU H 1 19 LEU QD . . 4.200 3.625 3.091 3.820 . 0 0 "[ . 1 . 2]" 1
164 1 19 LEU H 1 20 LYS H . . 3.000 2.121 2.090 2.229 . 0 0 "[ . 1 . 2]" 1
165 1 19 LEU HA 1 20 LYS H . . 3.500 3.433 3.413 3.519 0.019 19 0 "[ . 1 . 2]" 1
166 1 19 LEU QB 1 20 LYS H . . 4.200 3.134 2.625 3.610 . 0 0 "[ . 1 . 2]" 1
167 1 19 LEU QD 1 20 LYS H . . 4.000 3.869 3.323 4.015 0.015 3 0 "[ . 1 . 2]" 1
168 1 19 LEU HG 1 20 LYS H . . 4.000 3.629 2.553 4.187 0.187 19 0 "[ . 1 . 2]" 1
169 1 20 LYS H 1 20 LYS QD . . 4.100 4.019 3.555 4.158 0.058 4 0 "[ . 1 . 2]" 1
170 1 20 LYS H 1 20 LYS QG . . 4.200 3.584 2.232 4.176 . 0 0 "[ . 1 . 2]" 1
171 1 20 LYS H 1 21 GLY H . . 3.000 2.556 2.130 3.017 0.017 3 0 "[ . 1 . 2]" 1
172 1 20 LYS HA 1 21 GLY H . . 3.500 3.515 3.467 3.575 0.075 5 0 "[ . 1 . 2]" 1
173 1 20 LYS QB 1 21 GLY H . . 4.200 2.715 1.930 3.594 . 0 0 "[ . 1 . 2]" 1
174 1 20 LYS QD 1 21 GLY H . . 4.000 3.442 2.319 4.030 0.030 9 0 "[ . 1 . 2]" 1
175 1 20 LYS QG 1 21 GLY H . . 4.000 3.439 2.076 4.029 0.029 3 0 "[ . 1 . 2]" 1
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