NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617252 |
5xiv   |
36079 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xiv
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 182
_Distance_constraint_stats_list.Viol_count 650
_Distance_constraint_stats_list.Viol_total 3532.329
_Distance_constraint_stats_list.Viol_max 1.148
_Distance_constraint_stats_list.Viol_rms 0.1674
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0485
_Distance_constraint_stats_list.Viol_average_violations_only 0.2717
_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 TYR 12.411 0.585 13 1 "[ . 1 + . 2]"
1 2 GLU 0.092 0.032 14 0 "[ . 1 . 2]"
1 3 THR 6.090 0.207 1 0 "[ . 1 . 2]"
1 4 GLY 2.300 0.083 4 0 "[ . 1 . 2]"
1 5 CYS 2.620 0.222 6 0 "[ . 1 . 2]"
1 6 LYS 4.278 0.135 1 0 "[ . 1 . 2]"
1 7 ARG 8.206 0.220 4 0 "[ . 1 . 2]"
1 8 CYS 1.868 0.124 12 0 "[ . 1 . 2]"
1 9 CYS 22.959 1.093 3 20 [**+*********-*******]
1 10 TYR 81.384 1.148 14 20 [****-********+******]
1 11 LEU 48.494 1.123 20 20 [********-**********+]
1 12 ASP 2.385 0.151 4 0 "[ . 1 . 2]"
1 13 GLU 2.644 0.141 9 0 "[ . 1 . 2]"
1 14 TYR 8.661 0.264 2 0 "[ . 1 . 2]"
1 15 GLY 0.755 0.117 9 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 57.451 1.148 14 20 [************-+******]
1 18 ARG 0.456 0.096 14 0 "[ . 1 . 2]"
1 19 CYS 27.705 1.093 3 20 [**+*********-*******]
1 20 CYS 2.836 0.153 6 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 TYR HA 1 1 TYR QB 3.400 2.400 4.000 2.186 2.182 2.197 0.218 18 0 "[ . 1 . 2]" 1
2 1 1 TYR HA 1 1 TYR QD 3.400 2.400 4.400 3.678 3.651 3.739 . 0 0 "[ . 1 . 2]" 1
3 1 1 TYR HA 1 2 GLU H 3.400 . 3.400 3.330 3.061 3.416 0.016 5 0 "[ . 1 . 2]" 1
4 1 1 TYR HA 1 17 ILE HA 5.000 3.200 5.000 4.221 3.168 4.622 0.032 14 0 "[ . 1 . 2]" 1
5 1 1 TYR QB 1 1 TYR QD 3.400 2.400 3.400 2.144 2.137 2.152 0.263 14 0 "[ . 1 . 2]" 1
6 1 1 TYR QB 1 2 GLU H 3.400 . 4.400 1.706 1.568 1.872 0.032 14 0 "[ . 1 . 2]" 1
7 1 1 TYR QB 1 9 CYS QB 5.000 3.200 8.000 6.472 6.430 6.505 . 0 0 "[ . 1 . 2]" 1
8 1 1 TYR QB 1 16 CYS H 5.000 . 6.000 4.951 4.503 5.422 . 0 0 "[ . 1 . 2]" 1
9 1 1 TYR QD 1 2 GLU H 3.400 . 4.400 1.721 1.585 2.166 0.015 13 0 "[ . 1 . 2]" 1
10 1 1 TYR QD 1 15 GLY H 5.000 . 6.000 5.636 5.177 5.713 . 0 0 "[ . 1 . 2]" 1
11 1 1 TYR QD 1 15 GLY QA 5.000 3.200 8.000 6.511 6.336 6.576 . 0 0 "[ . 1 . 2]" 1
12 1 1 TYR QD 1 16 CYS H 5.000 . 6.000 4.747 4.231 4.945 . 0 0 "[ . 1 . 2]" 1
13 1 1 TYR QD 1 17 ILE HA 5.000 3.200 6.000 3.086 2.615 3.677 0.585 13 1 "[ . 1 + . 2]" 1
14 1 1 TYR QD 1 17 ILE MD 5.000 3.200 8.000 4.861 4.518 5.536 . 0 0 "[ . 1 . 2]" 1
15 1 1 TYR QD 1 17 ILE QG 5.000 3.200 8.000 4.082 3.950 4.675 . 0 0 "[ . 1 . 2]" 1
16 1 1 TYR QD 1 17 ILE MG 5.000 3.200 8.000 5.419 5.165 5.678 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLU H 1 2 GLU QB 3.400 . 4.000 2.661 2.637 2.670 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU H 1 16 CYS QB 5.000 3.200 6.000 4.645 3.536 5.128 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU H 1 17 ILE HA 5.000 . 5.000 2.507 1.834 3.239 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLU HA 1 3 THR H 3.400 . 3.400 2.757 2.562 2.854 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLU QB 1 3 THR H 3.400 . 4.400 2.567 2.372 3.063 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLU QB 1 12 ASP QB 5.000 3.200 8.000 5.928 5.732 6.268 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLU QB 1 16 CYS QB 5.000 3.200 8.000 4.952 3.896 5.640 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLU QG 1 6 LYS H 5.000 . 6.000 5.220 5.117 5.438 . 0 0 "[ . 1 . 2]" 1
25 1 3 THR HA 1 3 THR HB 3.400 2.400 3.400 2.603 2.587 2.607 . 0 0 "[ . 1 . 2]" 1
26 1 3 THR HA 1 3 THR HG1 3.400 2.400 4.400 2.211 2.193 2.217 0.207 1 0 "[ . 1 . 2]" 1
27 1 3 THR HA 1 4 GLY H 3.400 . 3.400 3.131 2.064 3.483 0.083 4 0 "[ . 1 . 2]" 1
28 1 3 THR HA 1 5 CYS H 5.000 . 5.000 4.589 3.620 4.927 . 0 0 "[ . 1 . 2]" 1
29 1 3 THR HB 1 4 GLY H 3.400 . 3.400 3.416 3.116 3.479 0.079 14 0 "[ . 1 . 2]" 1
30 1 3 THR HG1 1 4 GLY H 3.400 . 4.400 3.328 3.259 3.543 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLY H 1 5 CYS H 5.000 . 5.000 2.828 2.563 3.002 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLY QA 1 5 CYS H 3.400 . 4.400 2.649 2.625 2.738 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLY QA 1 6 LYS HA 5.000 . 6.000 5.345 5.296 5.360 . 0 0 "[ . 1 . 2]" 1
34 1 5 CYS H 1 5 CYS QB 3.400 . 4.000 3.354 3.150 3.461 . 0 0 "[ . 1 . 2]" 1
35 1 5 CYS H 1 19 CYS H 5.000 . 5.000 5.071 5.058 5.092 0.092 14 0 "[ . 1 . 2]" 1
36 1 5 CYS HA 1 5 CYS QB 3.400 2.400 4.000 2.349 2.178 2.496 0.222 6 0 "[ . 1 . 2]" 1
37 1 5 CYS HA 1 6 LYS H 3.400 . 3.400 2.156 2.137 2.186 . 0 0 "[ . 1 . 2]" 1
38 1 5 CYS HA 1 19 CYS QB 5.000 3.200 6.000 4.636 4.484 4.717 . 0 0 "[ . 1 . 2]" 1
39 1 5 CYS HA 1 20 CYS H 5.000 . 5.000 4.589 4.326 5.019 0.019 11 0 "[ . 1 . 2]" 1
40 1 5 CYS QB 1 6 LYS H 3.400 . 4.400 3.635 3.599 3.767 . 0 0 "[ . 1 . 2]" 1
41 1 5 CYS QB 1 7 ARG H 5.000 . 6.000 5.107 4.772 5.256 . 0 0 "[ . 1 . 2]" 1
42 1 5 CYS QB 1 19 CYS HA 5.000 3.200 6.000 4.072 3.551 4.474 . 0 0 "[ . 1 . 2]" 1
43 1 5 CYS QB 1 19 CYS QB 5.000 3.200 8.000 5.071 4.658 5.459 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS H 1 6 LYS QB 3.400 . 4.000 2.196 2.127 2.227 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 6 LYS QG 3.400 . 4.400 3.921 3.859 4.027 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS HA 1 6 LYS QG 3.400 2.400 4.400 2.317 2.302 2.457 0.098 4 0 "[ . 1 . 2]" 1
47 1 6 LYS HA 1 7 ARG H 3.400 . 3.400 3.528 3.521 3.535 0.135 1 0 "[ . 1 . 2]" 1
48 1 6 LYS QB 1 7 ARG H 3.400 . 4.400 1.764 1.716 1.890 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS QB 1 17 ILE MG 5.000 3.200 8.000 5.867 5.602 5.905 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS QB 1 18 ARG HA 5.000 3.200 6.000 5.123 4.792 5.405 . 0 0 "[ . 1 . 2]" 1
51 1 7 ARG H 1 8 CYS H 5.000 . 5.000 3.088 2.875 3.492 . 0 0 "[ . 1 . 2]" 1
52 1 7 ARG H 1 19 CYS H 5.000 . 5.000 4.989 4.794 5.033 0.033 10 0 "[ . 1 . 2]" 1
53 1 7 ARG H 1 19 CYS HA 5.000 . 5.000 2.372 2.053 2.538 . 0 0 "[ . 1 . 2]" 1
54 1 7 ARG H 1 20 CYS H 5.000 . 5.000 4.740 4.457 4.952 . 0 0 "[ . 1 . 2]" 1
55 1 7 ARG HA 1 7 ARG QB 3.400 2.400 4.000 2.225 2.180 2.371 0.220 4 0 "[ . 1 . 2]" 1
56 1 7 ARG HA 1 7 ARG QG 3.400 2.400 4.400 3.114 2.412 3.359 . 0 0 "[ . 1 . 2]" 1
57 1 7 ARG HA 1 8 CYS H 3.400 . 3.400 3.493 3.403 3.524 0.124 12 0 "[ . 1 . 2]" 1
58 1 7 ARG HA 1 8 CYS QB 5.000 3.200 6.000 4.373 4.285 4.516 . 0 0 "[ . 1 . 2]" 1
59 1 7 ARG QB 1 8 CYS H 3.400 . 4.400 2.206 1.918 2.397 . 0 0 "[ . 1 . 2]" 1
60 1 7 ARG QB 1 20 CYS QB 5.000 3.200 8.000 6.057 5.870 6.157 . 0 0 "[ . 1 . 2]" 1
61 1 7 ARG HE 1 8 CYS QB 5.000 3.200 8.000 5.742 3.922 6.611 . 0 0 "[ . 1 . 2]" 1
62 1 7 ARG QG 1 8 CYS H 3.400 . 4.400 1.688 1.595 1.950 0.005 12 0 "[ . 1 . 2]" 1
63 1 7 ARG QG 1 8 CYS QB 3.400 2.400 6.400 3.777 2.754 4.176 . 0 0 "[ . 1 . 2]" 1
64 1 7 ARG QG 1 20 CYS H 5.000 . 6.000 5.285 5.100 5.440 . 0 0 "[ . 1 . 2]" 1
65 1 7 ARG QG 1 20 CYS QB 5.000 3.200 8.000 5.642 5.460 5.736 . 0 0 "[ . 1 . 2]" 1
66 1 8 CYS H 1 8 CYS QB 3.400 . 4.000 2.872 2.751 2.959 . 0 0 "[ . 1 . 2]" 1
67 1 8 CYS H 1 9 CYS H 5.000 . 5.000 3.951 3.876 4.094 . 0 0 "[ . 1 . 2]" 1
68 1 8 CYS HA 1 9 CYS H 3.400 . 3.400 2.076 2.022 2.117 . 0 0 "[ . 1 . 2]" 1
69 1 8 CYS HA 1 10 TYR H 5.000 . 5.000 4.041 3.983 4.119 . 0 0 "[ . 1 . 2]" 1
70 1 8 CYS QB 1 9 CYS H 3.400 . 4.400 3.690 3.383 3.852 . 0 0 "[ . 1 . 2]" 1
71 1 8 CYS QB 1 10 TYR H 5.000 . 6.000 5.204 4.722 5.432 . 0 0 "[ . 1 . 2]" 1
72 1 8 CYS QB 1 11 LEU QD 5.000 3.200 8.400 4.943 4.517 5.282 . 0 0 "[ . 1 . 2]" 1
73 1 8 CYS QB 1 17 ILE MG 5.000 3.200 8.000 5.589 5.170 6.006 . 0 0 "[ . 1 . 2]" 1
74 1 8 CYS QB 1 19 CYS QB 5.000 3.200 8.000 3.984 3.922 4.066 . 0 0 "[ . 1 . 2]" 1
75 1 9 CYS H 1 9 CYS QB 3.400 . 4.000 2.389 2.325 2.477 . 0 0 "[ . 1 . 2]" 1
76 1 9 CYS H 1 10 TYR H 5.000 . 5.000 2.153 2.025 2.256 . 0 0 "[ . 1 . 2]" 1
77 1 9 CYS H 1 11 LEU QD 5.000 . 7.400 5.019 4.824 5.314 . 0 0 "[ . 1 . 2]" 1
78 1 9 CYS HA 1 9 CYS QB 3.400 2.400 4.000 2.487 2.472 2.502 . 0 0 "[ . 1 . 2]" 1
79 1 9 CYS HA 1 10 TYR H 3.400 . 3.400 3.527 3.512 3.539 0.139 13 0 "[ . 1 . 2]" 1
80 1 9 CYS QB 1 10 TYR H 3.400 . 4.400 2.467 2.385 2.509 . 0 0 "[ . 1 . 2]" 1
81 1 9 CYS QB 1 19 CYS QB 5.000 3.200 8.000 2.179 2.107 2.245 1.093 3 20 [**+*********-*******] 1
82 1 9 CYS QB 1 20 CYS HA 5.000 . 6.000 5.155 5.110 5.181 . 0 0 "[ . 1 . 2]" 1
83 1 9 CYS QB 1 20 CYS QB 3.400 2.400 6.400 3.563 3.490 3.633 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR H 1 10 TYR QB 3.400 . 4.000 2.796 2.732 2.882 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR H 1 11 LEU H 5.000 . 5.000 4.402 4.390 4.419 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR H 1 11 LEU QD 5.000 . 7.400 4.437 4.323 4.633 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR H 1 17 ILE H 5.000 . 5.000 4.649 4.423 4.997 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR H 1 17 ILE HB 5.000 . 5.000 4.110 3.450 4.411 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR H 1 18 ARG H 5.000 . 5.000 4.734 4.126 5.002 0.002 11 0 "[ . 1 . 2]" 1
90 1 10 TYR H 1 18 ARG QB 5.000 . 6.000 5.050 4.885 5.183 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR HA 1 10 TYR QB 3.400 2.400 4.000 2.540 2.535 2.545 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR HA 1 10 TYR QD 3.400 2.400 4.400 2.969 2.807 3.006 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR HA 1 11 LEU H 3.400 . 3.400 2.542 2.493 2.640 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR QB 1 10 TYR QD 3.400 2.400 3.400 2.133 2.123 2.140 0.277 18 0 "[ . 1 . 2]" 1
95 1 10 TYR QB 1 11 LEU H 5.000 3.200 6.000 2.433 2.257 2.537 0.943 9 20 [******-*+***********] 1
96 1 10 TYR QB 1 11 LEU QD 3.400 2.400 6.800 4.469 4.144 4.593 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR QB 1 11 LEU HG 5.000 3.200 6.000 4.617 4.517 4.845 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR QB 1 17 ILE HB 3.400 2.400 4.400 3.602 3.256 3.752 . 0 0 "[ . 1 . 2]" 1
99 1 10 TYR QB 1 17 ILE MD 5.000 3.200 8.000 2.262 2.151 2.670 1.049 14 20 [****-********+******] 1
100 1 10 TYR QB 1 17 ILE MG 5.000 3.200 8.000 2.233 2.052 2.341 1.148 14 20 [*************+-*****] 1
101 1 10 TYR QB 1 18 ARG H 5.000 3.200 6.000 4.775 4.396 5.350 . 0 0 "[ . 1 . 2]" 1
102 1 10 TYR QB 1 18 ARG QB 3.400 2.400 6.400 4.920 4.653 5.042 . 0 0 "[ . 1 . 2]" 1
103 1 10 TYR QD 1 11 LEU H 5.000 3.200 6.000 2.197 2.077 2.435 1.123 20 20 [********-**********+] 1
104 1 10 TYR QD 1 11 LEU HG 5.000 . 6.000 4.893 4.553 5.319 . 0 0 "[ . 1 . 2]" 1
105 1 10 TYR QD 1 17 ILE MD 3.400 2.400 6.400 3.838 3.476 4.245 . 0 0 "[ . 1 . 2]" 1
106 1 10 TYR QD 1 17 ILE MG 3.400 2.400 6.400 4.053 3.881 4.153 . 0 0 "[ . 1 . 2]" 1
107 1 10 TYR QD 1 18 ARG QB 5.000 3.200 8.000 6.050 5.792 6.251 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU H 1 11 LEU QB 3.400 . 4.000 2.667 2.642 2.695 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU H 1 11 LEU QD 3.400 . 5.100 3.139 2.505 3.464 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU H 1 11 LEU HG 3.400 . 3.400 2.987 2.733 3.389 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU H 1 17 ILE MD 5.000 . 6.000 4.514 4.373 5.063 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU HA 1 11 LEU QB 3.400 2.400 4.000 2.333 2.320 2.345 0.080 8 0 "[ . 1 . 2]" 1
113 1 11 LEU HA 1 11 LEU QD 3.400 2.400 5.100 2.534 2.273 3.064 0.127 1 0 "[ . 1 . 2]" 1
114 1 11 LEU HA 1 12 ASP H 3.400 . 3.400 2.132 2.124 2.153 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU QB 1 11 LEU QD 3.400 2.400 3.400 1.888 1.841 1.905 0.559 13 9 "[ **. * -1* + . ** *]" 1
116 1 11 LEU QB 1 12 ASP H 5.000 3.200 6.000 3.428 3.226 3.527 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU QD 1 12 ASP H 5.000 3.200 7.400 4.035 3.725 4.444 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU QD 1 13 GLU H 5.000 . 7.400 5.392 5.349 5.461 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU QD 1 15 GLY H 5.000 . 7.400 4.117 4.019 4.260 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU QD 1 17 ILE H 5.000 . 7.400 4.959 4.525 5.516 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU HG 1 12 ASP H 5.000 3.200 5.000 4.910 4.619 5.035 0.035 11 0 "[ . 1 . 2]" 1
122 1 12 ASP H 1 12 ASP QB 3.400 . 4.000 2.292 2.208 2.366 . 0 0 "[ . 1 . 2]" 1
123 1 12 ASP H 1 14 TYR H 5.000 . 5.000 4.834 4.730 4.966 . 0 0 "[ . 1 . 2]" 1
124 1 12 ASP H 1 15 GLY H 5.000 . 5.000 3.595 3.488 3.942 . 0 0 "[ . 1 . 2]" 1
125 1 12 ASP H 1 17 ILE H 5.000 . 5.000 5.102 5.029 5.151 0.151 4 0 "[ . 1 . 2]" 1
126 1 12 ASP H 1 17 ILE MD 5.000 . 6.000 4.245 3.972 5.066 . 0 0 "[ . 1 . 2]" 1
127 1 12 ASP H 1 17 ILE QG 5.000 . 6.000 4.642 3.164 5.056 . 0 0 "[ . 1 . 2]" 1
128 1 12 ASP H 1 17 ILE MG 5.000 . 6.000 4.312 4.157 4.688 . 0 0 "[ . 1 . 2]" 1
129 1 12 ASP QB 1 13 GLU H 3.400 . 4.400 2.091 1.831 2.352 . 0 0 "[ . 1 . 2]" 1
130 1 12 ASP QB 1 14 TYR H 5.000 . 6.000 4.162 3.846 4.535 . 0 0 "[ . 1 . 2]" 1
131 1 13 GLU H 1 13 GLU QB 3.400 . 4.000 2.506 2.495 2.547 . 0 0 "[ . 1 . 2]" 1
132 1 13 GLU H 1 13 GLU QG 3.400 . 4.400 3.915 3.076 4.062 . 0 0 "[ . 1 . 2]" 1
133 1 13 GLU H 1 14 TYR H 5.000 . 5.000 2.490 2.358 2.700 . 0 0 "[ . 1 . 2]" 1
134 1 13 GLU H 1 15 GLY H 5.000 . 5.000 2.793 2.709 3.256 . 0 0 "[ . 1 . 2]" 1
135 1 13 GLU HA 1 13 GLU QB 3.400 2.400 4.000 2.488 2.408 2.503 . 0 0 "[ . 1 . 2]" 1
136 1 13 GLU HA 1 14 TYR H 3.400 . 3.400 3.532 3.523 3.541 0.141 9 0 "[ . 1 . 2]" 1
137 1 13 GLU HA 1 15 GLY H 5.000 . 5.000 4.561 4.280 5.004 0.004 9 0 "[ . 1 . 2]" 1
138 1 13 GLU QB 1 14 TYR H 3.400 . 4.400 2.020 1.800 2.194 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLU QG 1 14 TYR H 3.400 . 4.400 3.817 3.604 3.982 . 0 0 "[ . 1 . 2]" 1
140 1 13 GLU QG 1 14 TYR QD 3.400 2.400 6.400 4.171 3.784 4.618 . 0 0 "[ . 1 . 2]" 1
141 1 14 TYR H 1 14 TYR QB 3.400 . 4.000 2.364 2.323 2.432 . 0 0 "[ . 1 . 2]" 1
142 1 14 TYR H 1 14 TYR QD 3.400 . 4.400 2.462 2.361 2.559 . 0 0 "[ . 1 . 2]" 1
143 1 14 TYR H 1 15 GLY H 5.000 . 5.000 2.317 2.198 2.477 . 0 0 "[ . 1 . 2]" 1
144 1 14 TYR HA 1 14 TYR QD 3.400 2.400 4.400 2.942 2.937 2.958 . 0 0 "[ . 1 . 2]" 1
145 1 14 TYR HA 1 15 GLY H 3.400 . 3.400 3.437 3.390 3.517 0.117 9 0 "[ . 1 . 2]" 1
146 1 14 TYR QB 1 14 TYR QD 3.400 2.400 3.400 2.136 2.136 2.138 0.264 2 0 "[ . 1 . 2]" 1
147 1 14 TYR QB 1 15 GLY H 3.400 . 4.400 2.946 2.638 3.118 . 0 0 "[ . 1 . 2]" 1
148 1 14 TYR QD 1 15 GLY H 5.000 3.200 6.000 4.335 4.160 4.450 . 0 0 "[ . 1 . 2]" 1
149 1 15 GLY H 1 16 CYS H 5.000 . 5.000 1.961 1.839 2.094 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLY QA 1 16 CYS H 3.400 . 4.400 2.822 2.706 2.935 . 0 0 "[ . 1 . 2]" 1
151 1 16 CYS H 1 16 CYS QB 3.400 . 4.000 2.605 2.323 2.705 . 0 0 "[ . 1 . 2]" 1
152 1 16 CYS HA 1 17 ILE H 3.400 . 3.400 2.123 2.084 2.309 . 0 0 "[ . 1 . 2]" 1
153 1 16 CYS QB 1 17 ILE H 3.400 . 4.400 3.591 3.361 3.777 . 0 0 "[ . 1 . 2]" 1
154 1 16 CYS QB 1 20 CYS QB 5.000 . 8.000 5.611 5.023 6.190 . 0 0 "[ . 1 . 2]" 1
155 1 17 ILE H 1 17 ILE HB 3.400 . 3.400 3.118 2.798 3.379 . 0 0 "[ . 1 . 2]" 1
156 1 17 ILE H 1 17 ILE MD 5.000 . 6.000 4.806 4.434 4.870 . 0 0 "[ . 1 . 2]" 1
157 1 17 ILE H 1 17 ILE QG 5.000 3.200 6.000 4.178 4.089 4.311 . 0 0 "[ . 1 . 2]" 1
158 1 17 ILE H 1 17 ILE MG 3.400 . 4.400 2.467 2.333 2.860 . 0 0 "[ . 1 . 2]" 1
159 1 17 ILE H 1 18 ARG H 5.000 . 5.000 3.877 1.979 4.281 . 0 0 "[ . 1 . 2]" 1
160 1 17 ILE HA 1 17 ILE MD 3.400 2.400 4.400 3.691 2.709 3.824 . 0 0 "[ . 1 . 2]" 1
161 1 17 ILE HA 1 17 ILE MG 3.400 2.400 4.400 3.239 3.177 3.252 . 0 0 "[ . 1 . 2]" 1
162 1 17 ILE HA 1 18 ARG H 3.400 . 3.400 3.081 2.846 3.496 0.096 14 0 "[ . 1 . 2]" 1
163 1 17 ILE HB 1 17 ILE MD 3.400 2.400 4.400 2.556 2.402 3.266 . 0 0 "[ . 1 . 2]" 1
164 1 17 ILE HB 1 17 ILE MG 3.400 2.400 4.400 2.125 2.102 2.135 0.298 5 0 "[ . 1 . 2]" 1
165 1 17 ILE MD 1 17 ILE MG 3.400 2.400 3.400 1.978 1.873 2.101 0.527 13 1 "[ . 1 + . 2]" 1
166 1 17 ILE MD 1 19 CYS QB 5.000 . 8.000 5.647 5.246 5.710 . 0 0 "[ . 1 . 2]" 1
167 1 17 ILE QG 1 17 ILE MG 3.400 2.400 3.400 2.407 2.352 2.498 0.048 6 0 "[ . 1 . 2]" 1
168 1 17 ILE QG 1 19 CYS QB 5.000 3.200 8.000 5.882 5.705 6.200 . 0 0 "[ . 1 . 2]" 1
169 1 17 ILE MG 1 18 ARG QB 3.400 2.400 6.400 2.837 2.538 3.073 . 0 0 "[ . 1 . 2]" 1
170 1 18 ARG H 1 18 ARG QB 3.400 . 4.000 2.226 2.100 2.993 . 0 0 "[ . 1 . 2]" 1
171 1 18 ARG HA 1 18 ARG QB 3.400 2.400 4.000 2.449 2.427 2.504 . 0 0 "[ . 1 . 2]" 1
172 1 18 ARG HA 1 19 CYS H 3.400 . 3.400 3.409 3.354 3.436 0.036 4 0 "[ . 1 . 2]" 1
173 1 18 ARG HA 1 19 CYS QB 5.000 3.200 6.000 5.401 5.385 5.416 . 0 0 "[ . 1 . 2]" 1
174 1 18 ARG QB 1 19 CYS H 3.400 . 4.400 3.066 2.934 3.209 . 0 0 "[ . 1 . 2]" 1
175 1 18 ARG HE 1 20 CYS QB 5.000 3.200 8.000 7.096 7.055 7.167 . 0 0 "[ . 1 . 2]" 1
176 1 18 ARG QG 1 19 CYS H 5.000 3.200 6.000 4.402 4.252 4.712 . 0 0 "[ . 1 . 2]" 1
177 1 19 CYS H 1 19 CYS QB 3.400 . 4.000 2.942 2.902 3.035 . 0 0 "[ . 1 . 2]" 1
178 1 19 CYS HA 1 19 CYS QB 3.400 2.400 4.000 2.273 2.256 2.290 0.144 6 0 "[ . 1 . 2]" 1
179 1 19 CYS HA 1 20 CYS H 3.400 . 3.400 3.539 3.527 3.553 0.153 6 0 "[ . 1 . 2]" 1
180 1 19 CYS QB 1 20 CYS H 3.400 . 4.400 2.151 1.707 2.387 . 0 0 "[ . 1 . 2]" 1
181 1 20 CYS H 1 20 CYS QB 3.400 . 4.000 2.188 2.109 2.292 . 0 0 "[ . 1 . 2]" 1
182 1 20 CYS HA 1 20 CYS QB 3.400 2.400 4.000 2.525 2.508 2.540 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 30, 2024 11:07:25 PM GMT (wattos1)