NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
614832 |
5ua7   |
30218 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ua7
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 210
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 125.170
_Distance_constraint_stats_list.Viol_max 0.201
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0728
_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]"
1 2 VAL 0.002 0.002 8 0 "[ . 1]"
1 3 VAL 1.962 0.200 4 0 "[ . 1]"
1 4 ASP 0.016 0.009 5 0 "[ . 1]"
1 5 ILE 0.013 0.005 4 0 "[ . 1]"
1 6 LEU 0.153 0.021 3 0 "[ . 1]"
1 7 LYS 1.990 0.159 9 0 "[ . 1]"
1 8 GLY 0.319 0.065 6 0 "[ . 1]"
1 9 ALA 0.155 0.021 3 0 "[ . 1]"
1 10 ALA 0.000 0.000 . 0 "[ . 1]"
1 11 LYS 0.013 0.008 3 0 "[ . 1]"
1 12 ASP 0.005 0.003 5 0 "[ . 1]"
1 13 ILE 0.889 0.120 3 0 "[ . 1]"
1 14 ALA 0.001 0.001 9 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 HIS 1.877 0.201 7 0 "[ . 1]"
1 17 LEU 2.796 0.151 9 0 "[ . 1]"
1 18 ALA 0.055 0.036 10 0 "[ . 1]"
1 19 SER 0.494 0.037 8 0 "[ . 1]"
1 20 LYS 2.026 0.189 5 0 "[ . 1]"
1 21 VAL 0.018 0.012 9 0 "[ . 1]"
1 22 MET 0.021 0.012 9 0 "[ . 1]"
1 23 ASN 0.000 0.000 . 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 GLY HA2 1 2 VAL H 5.500 . 5.500 2.974 2.161 3.552 . 0 0 "[ . 1]" 1
2 1 1 GLY HA3 1 2 VAL H 3.400 . 3.400 2.817 2.179 3.400 . 0 0 "[ . 1]" 1
3 1 2 VAL H 1 2 VAL HB 3.400 . 3.400 2.647 2.452 2.945 . 0 0 "[ . 1]" 1
4 1 2 VAL H 1 3 VAL H 5.500 . 5.500 2.452 1.835 2.801 . 0 0 "[ . 1]" 1
5 1 2 VAL HA 1 2 VAL MG1 . . 3.400 2.297 2.231 2.342 . 0 0 "[ . 1]" 1
6 1 2 VAL HA 1 3 VAL H 5.500 . 5.500 3.505 3.383 3.569 . 0 0 "[ . 1]" 1
7 1 2 VAL HA 1 4 ASP H 5.500 . 5.500 4.306 3.544 4.582 . 0 0 "[ . 1]" 1
8 1 2 VAL HA 1 5 ILE H 5.500 . 5.500 3.412 3.106 3.781 . 0 0 "[ . 1]" 1
9 1 2 VAL HA 1 5 ILE HB 3.400 . 3.400 3.129 2.858 3.402 0.002 8 0 "[ . 1]" 1
10 1 2 VAL HA 1 6 LEU H 5.500 . 5.500 4.138 3.790 4.710 . 0 0 "[ . 1]" 1
11 1 2 VAL HB 1 3 VAL H 3.400 . 3.400 2.676 1.815 3.275 . 0 0 "[ . 1]" 1
12 1 3 VAL H 1 3 VAL HB 2.800 . 2.800 2.594 2.466 2.791 . 0 0 "[ . 1]" 1
13 1 3 VAL H 1 4 ASP H 3.400 . 3.400 2.814 2.568 2.977 . 0 0 "[ . 1]" 1
14 1 3 VAL H 1 5 ILE H 5.500 . 5.500 4.257 4.007 4.612 . 0 0 "[ . 1]" 1
15 1 3 VAL HA 1 3 VAL HB 2.800 . 2.800 2.996 2.983 3.000 0.200 4 0 "[ . 1]" 1
16 1 3 VAL HA 1 3 VAL MG1 . . 3.400 2.304 2.216 2.348 . 0 0 "[ . 1]" 1
17 1 3 VAL HA 1 3 VAL MG2 3.400 . 3.400 2.391 2.323 2.510 . 0 0 "[ . 1]" 1
18 1 3 VAL HA 1 4 ASP H 5.500 . 5.500 3.540 3.489 3.561 . 0 0 "[ . 1]" 1
19 1 3 VAL HA 1 5 ILE H 5.500 . 5.500 4.341 3.913 4.799 . 0 0 "[ . 1]" 1
20 1 3 VAL HA 1 6 LEU H 5.500 . 5.500 3.482 3.230 3.888 . 0 0 "[ . 1]" 1
21 1 3 VAL HA 1 6 LEU HB2 5.500 . 5.500 3.092 2.901 3.352 . 0 0 "[ . 1]" 1
22 1 3 VAL HA 1 6 LEU HB3 3.400 . 3.400 3.075 2.851 3.292 . 0 0 "[ . 1]" 1
23 1 3 VAL HA 1 7 LYS H 5.500 . 5.500 3.870 3.249 4.180 . 0 0 "[ . 1]" 1
24 1 3 VAL HB 1 4 ASP H 3.400 . 3.400 2.527 2.352 2.869 . 0 0 "[ . 1]" 1
25 1 3 VAL MG1 1 4 ASP H 5.500 . 5.500 3.453 3.150 3.720 . 0 0 "[ . 1]" 1
26 1 3 VAL MG2 1 4 ASP H 5.500 . 5.500 3.734 3.374 3.962 . 0 0 "[ . 1]" 1
27 1 4 ASP H 1 4 ASP HB2 . . 2.800 2.449 2.331 2.513 . 0 0 "[ . 1]" 1
28 1 4 ASP H 1 4 ASP HB3 3.400 . 3.400 2.625 2.548 2.755 . 0 0 "[ . 1]" 1
29 1 4 ASP H 1 5 ILE H 2.800 . 2.800 2.746 2.661 2.805 0.005 4 0 "[ . 1]" 1
30 1 4 ASP H 1 6 LEU H 5.500 . 5.500 4.291 3.981 4.627 . 0 0 "[ . 1]" 1
31 1 4 ASP HA 1 5 ILE H 5.500 . 5.500 3.539 3.490 3.568 . 0 0 "[ . 1]" 1
32 1 4 ASP HA 1 7 LYS H 5.500 . 5.500 3.736 3.493 4.204 . 0 0 "[ . 1]" 1
33 1 4 ASP HA 1 7 LYS HB3 5.500 . 5.500 3.346 3.154 3.516 . 0 0 "[ . 1]" 1
34 1 4 ASP HA 1 7 LYS HD3 5.500 . 5.500 5.445 5.313 5.509 0.009 5 0 "[ . 1]" 1
35 1 4 ASP HB2 1 5 ILE H 5.500 . 5.500 3.833 3.628 4.006 . 0 0 "[ . 1]" 1
36 1 4 ASP HB3 1 5 ILE H 5.500 . 5.500 2.585 2.307 2.876 . 0 0 "[ . 1]" 1
37 1 5 ILE H 1 5 ILE HB 2.800 . 2.800 2.583 2.518 2.656 . 0 0 "[ . 1]" 1
38 1 5 ILE H 1 5 ILE MD 5.500 . 5.500 3.466 3.351 3.636 . 0 0 "[ . 1]" 1
39 1 5 ILE H 1 5 ILE HG12 3.400 . 3.400 3.274 3.025 3.404 0.004 4 0 "[ . 1]" 1
40 1 5 ILE H 1 5 ILE HG13 3.400 . 3.400 1.973 1.807 2.082 . 0 0 "[ . 1]" 1
41 1 5 ILE H 1 6 LEU H 3.400 . 3.400 2.627 2.426 2.859 . 0 0 "[ . 1]" 1
42 1 5 ILE H 1 7 LYS H 5.500 . 5.500 4.011 3.808 4.487 . 0 0 "[ . 1]" 1
43 1 5 ILE HA 1 5 ILE HG12 3.400 . 3.400 2.596 2.572 2.624 . 0 0 "[ . 1]" 1
44 1 5 ILE HA 1 5 ILE HG13 3.400 . 3.400 3.060 2.944 3.227 . 0 0 "[ . 1]" 1
45 1 5 ILE HA 1 6 LEU H 5.500 . 5.500 3.555 3.516 3.575 . 0 0 "[ . 1]" 1
46 1 5 ILE HA 1 8 GLY H 5.500 . 5.500 3.549 3.261 4.085 . 0 0 "[ . 1]" 1
47 1 5 ILE HB 1 6 LEU H 3.400 . 3.400 2.445 2.147 2.753 . 0 0 "[ . 1]" 1
48 1 5 ILE HG13 1 6 LEU H 5.500 . 5.500 4.009 3.804 4.160 . 0 0 "[ . 1]" 1
49 1 5 ILE MG 1 6 LEU H 5.500 . 5.500 3.473 3.261 3.735 . 0 0 "[ . 1]" 1
50 1 6 LEU H 1 6 LEU HB2 3.400 . 3.400 2.182 2.153 2.249 . 0 0 "[ . 1]" 1
51 1 6 LEU H 1 6 LEU HB3 3.400 2.400 3.400 2.953 2.862 3.013 . 0 0 "[ . 1]" 1
52 1 6 LEU H 1 6 LEU MD1 5.500 . 5.500 4.174 4.157 4.189 . 0 0 "[ . 1]" 1
53 1 6 LEU H 1 6 LEU MD2 5.500 . 5.500 3.446 3.362 3.605 . 0 0 "[ . 1]" 1
54 1 6 LEU H 1 6 LEU HG 5.500 . 5.500 4.566 4.547 4.606 . 0 0 "[ . 1]" 1
55 1 6 LEU H 1 7 LYS H 3.400 . 3.400 2.712 2.477 2.901 . 0 0 "[ . 1]" 1
56 1 6 LEU HA 1 6 LEU HB2 2.800 . 2.800 2.681 2.656 2.700 . 0 0 "[ . 1]" 1
57 1 6 LEU HA 1 6 LEU MD2 . . 3.400 2.120 2.112 2.123 . 0 0 "[ . 1]" 1
58 1 6 LEU HA 1 7 LYS H 5.500 . 5.500 3.536 3.498 3.574 . 0 0 "[ . 1]" 1
59 1 6 LEU HA 1 8 GLY H 5.500 . 5.500 4.554 4.127 4.937 . 0 0 "[ . 1]" 1
60 1 6 LEU HA 1 9 ALA H 3.400 . 3.400 3.415 3.408 3.421 0.021 3 0 "[ . 1]" 1
61 1 6 LEU HA 1 10 ALA H 5.500 . 5.500 4.379 3.941 4.755 . 0 0 "[ . 1]" 1
62 1 6 LEU HB2 1 6 LEU MD2 3.400 . 3.400 2.226 2.222 2.241 . 0 0 "[ . 1]" 1
63 1 6 LEU HB2 1 7 LYS H 5.500 . 5.500 3.559 3.411 3.654 . 0 0 "[ . 1]" 1
64 1 7 LYS H 1 7 LYS HB3 2.800 . 2.800 2.842 2.837 2.849 0.049 5 0 "[ . 1]" 1
65 1 7 LYS H 1 7 LYS HD3 5.500 3.900 5.500 4.659 4.647 4.676 . 0 0 "[ . 1]" 1
66 1 7 LYS H 1 7 LYS HG3 5.500 . 5.500 4.487 4.471 4.502 . 0 0 "[ . 1]" 1
67 1 7 LYS H 1 8 GLY H 3.400 . 3.400 2.722 2.538 3.028 . 0 0 "[ . 1]" 1
68 1 7 LYS HA 1 7 LYS HB3 2.800 . 2.800 2.953 2.949 2.959 0.159 9 0 "[ . 1]" 1
69 1 7 LYS HA 1 7 LYS HD3 3.400 . 3.400 3.292 3.241 3.376 . 0 0 "[ . 1]" 1
70 1 7 LYS HA 1 9 ALA H 5.500 . 5.500 4.151 3.925 4.447 . 0 0 "[ . 1]" 1
71 1 7 LYS HA 1 10 ALA H 5.500 . 5.500 3.468 3.357 3.672 . 0 0 "[ . 1]" 1
72 1 7 LYS HA 1 10 ALA MB 5.500 . 5.500 2.866 2.434 3.134 . 0 0 "[ . 1]" 1
73 1 7 LYS HA 1 11 LYS H 5.500 . 5.500 4.965 4.221 5.508 0.008 3 0 "[ . 1]" 1
74 1 7 LYS HB3 1 7 LYS HD3 2.800 . 2.800 2.254 2.244 2.264 . 0 0 "[ . 1]" 1
75 1 7 LYS HB3 1 7 LYS HE2 5.500 . 5.500 4.289 3.803 4.426 . 0 0 "[ . 1]" 1
76 1 7 LYS HB3 1 7 LYS HE3 5.500 . 5.500 3.993 3.780 4.636 . 0 0 "[ . 1]" 1
77 1 7 LYS HB3 1 8 GLY H 3.400 . 3.400 2.471 1.979 2.859 . 0 0 "[ . 1]" 1
78 1 7 LYS HD3 1 7 LYS HE2 2.800 . 2.800 2.406 2.352 2.601 . 0 0 "[ . 1]" 1
79 1 7 LYS HD3 1 7 LYS HG3 2.800 . 2.800 2.799 2.784 2.805 0.005 3 0 "[ . 1]" 1
80 1 7 LYS HD3 1 8 GLY H 5.500 . 5.500 3.565 2.976 3.962 . 0 0 "[ . 1]" 1
81 1 8 GLY H 1 8 GLY HA2 2.800 . 2.800 2.830 2.779 2.865 0.065 6 0 "[ . 1]" 1
82 1 8 GLY H 1 8 GLY HA3 2.800 . 2.800 2.302 2.299 2.307 . 0 0 "[ . 1]" 1
83 1 8 GLY H 1 9 ALA H 5.500 . 5.500 2.599 2.495 2.763 . 0 0 "[ . 1]" 1
84 1 8 GLY HA2 1 9 ALA H 5.500 . 5.500 3.497 3.455 3.548 . 0 0 "[ . 1]" 1
85 1 8 GLY HA2 1 11 LYS H 5.500 . 5.500 3.854 3.637 4.035 . 0 0 "[ . 1]" 1
86 1 8 GLY HA3 1 9 ALA H 3.400 . 3.400 2.963 2.828 3.057 . 0 0 "[ . 1]" 1
87 1 9 ALA H 1 9 ALA MB 3.400 . 3.400 2.238 2.210 2.249 . 0 0 "[ . 1]" 1
88 1 9 ALA H 1 10 ALA H 3.400 . 3.400 2.481 2.455 2.635 . 0 0 "[ . 1]" 1
89 1 9 ALA HA 1 10 ALA H 5.500 . 5.500 3.498 3.492 3.502 . 0 0 "[ . 1]" 1
90 1 9 ALA HA 1 12 ASP H 5.500 . 5.500 3.489 3.212 3.658 . 0 0 "[ . 1]" 1
91 1 9 ALA HA 1 12 ASP HB2 5.500 . 5.500 2.930 2.529 3.376 . 0 0 "[ . 1]" 1
92 1 9 ALA HA 1 12 ASP HB3 5.500 . 5.500 3.817 3.346 4.292 . 0 0 "[ . 1]" 1
93 1 9 ALA HA 1 13 ILE H 5.500 . 5.500 5.213 4.901 5.502 0.002 9 0 "[ . 1]" 1
94 1 10 ALA H 1 10 ALA MB 2.800 . 2.800 2.203 2.175 2.226 . 0 0 "[ . 1]" 1
95 1 10 ALA H 1 11 LYS H 3.400 . 3.400 2.817 2.684 2.889 . 0 0 "[ . 1]" 1
96 1 10 ALA MB 1 11 LYS H 5.500 . 5.500 2.422 2.143 2.867 . 0 0 "[ . 1]" 1
97 1 11 LYS H 1 11 LYS HB3 2.800 . 2.800 2.446 2.204 2.610 . 0 0 "[ . 1]" 1
98 1 11 LYS H 1 11 LYS HD3 5.500 . 5.500 4.395 3.585 4.821 . 0 0 "[ . 1]" 1
99 1 11 LYS H 1 11 LYS HG3 5.500 . 5.500 3.213 2.367 4.101 . 0 0 "[ . 1]" 1
100 1 11 LYS H 1 13 ILE H 5.500 . 5.500 4.824 4.646 4.950 . 0 0 "[ . 1]" 1
101 1 11 LYS HA 1 11 LYS HB3 2.800 . 2.800 2.507 2.397 2.638 . 0 0 "[ . 1]" 1
102 1 11 LYS HA 1 11 LYS HD3 5.500 . 5.500 4.724 3.751 5.503 0.003 3 0 "[ . 1]" 1
103 1 11 LYS HA 1 12 ASP H 5.500 . 5.500 3.475 3.464 3.505 . 0 0 "[ . 1]" 1
104 1 11 LYS HA 1 13 ILE H 5.500 . 5.500 4.670 4.421 4.822 . 0 0 "[ . 1]" 1
105 1 11 LYS HA 1 14 ALA H 5.500 . 5.500 3.543 3.272 3.721 . 0 0 "[ . 1]" 1
106 1 12 ASP H 1 12 ASP HB2 3.400 . 3.400 2.337 2.294 2.414 . 0 0 "[ . 1]" 1
107 1 12 ASP H 1 12 ASP HB3 2.800 . 2.800 2.750 2.656 2.803 0.003 5 0 "[ . 1]" 1
108 1 12 ASP H 1 13 ILE H 3.400 . 3.400 2.905 2.827 2.971 . 0 0 "[ . 1]" 1
109 1 12 ASP HA 1 12 ASP HB2 2.800 . 2.800 2.559 2.513 2.591 . 0 0 "[ . 1]" 1
110 1 12 ASP HA 1 13 ILE H 5.500 . 5.500 3.574 3.568 3.581 . 0 0 "[ . 1]" 1
111 1 12 ASP HA 1 14 ALA H 5.500 . 5.500 4.803 4.331 5.108 . 0 0 "[ . 1]" 1
112 1 12 ASP HA 1 15 GLY H 5.500 . 5.500 3.811 3.399 4.136 . 0 0 "[ . 1]" 1
113 1 12 ASP HB2 1 13 ILE H 5.500 . 5.500 3.536 3.462 3.582 . 0 0 "[ . 1]" 1
114 1 12 ASP HB3 1 13 ILE H 5.500 . 5.500 2.184 2.112 2.326 . 0 0 "[ . 1]" 1
115 1 13 ILE H 1 13 ILE HB 2.800 . 2.800 2.579 2.493 2.766 . 0 0 "[ . 1]" 1
116 1 13 ILE H 1 13 ILE MD 5.500 . 5.500 1.715 1.680 1.740 0.120 3 0 "[ . 1]" 1
117 1 13 ILE H 1 13 ILE HG12 5.500 . 5.500 3.739 3.487 3.845 . 0 0 "[ . 1]" 1
118 1 13 ILE H 1 13 ILE HG13 2.800 . 2.800 2.636 2.261 2.814 0.014 10 0 "[ . 1]" 1
119 1 13 ILE HA 1 13 ILE HG13 3.400 . 3.400 2.393 2.328 2.575 . 0 0 "[ . 1]" 1
120 1 13 ILE HA 1 14 ALA H 5.500 . 5.500 3.555 3.513 3.573 . 0 0 "[ . 1]" 1
121 1 13 ILE HA 1 16 HIS H 5.500 . 5.500 3.330 2.977 3.580 . 0 0 "[ . 1]" 1
122 1 13 ILE HA 1 16 HIS HB3 3.400 . 3.400 2.884 2.345 3.297 . 0 0 "[ . 1]" 1
123 1 13 ILE HA 1 16 HIS HD2 5.500 . 5.500 4.484 3.912 5.459 . 0 0 "[ . 1]" 1
124 1 13 ILE HA 1 17 LEU H 5.500 . 5.500 4.291 3.860 4.702 . 0 0 "[ . 1]" 1
125 1 13 ILE HB 1 14 ALA H 3.400 . 3.400 2.456 2.270 2.785 . 0 0 "[ . 1]" 1
126 1 13 ILE HG13 1 13 ILE MG 3.400 . 3.400 2.776 2.727 2.806 . 0 0 "[ . 1]" 1
127 1 13 ILE HG13 1 14 ALA H 5.500 . 5.500 4.545 4.340 4.649 . 0 0 "[ . 1]" 1
128 1 14 ALA H 1 14 ALA MB 3.400 . 3.400 2.218 2.180 2.249 . 0 0 "[ . 1]" 1
129 1 14 ALA H 1 15 GLY H 5.500 . 5.500 2.716 2.486 2.883 . 0 0 "[ . 1]" 1
130 1 14 ALA HA 1 15 GLY H 5.500 . 5.500 3.512 3.409 3.574 . 0 0 "[ . 1]" 1
131 1 14 ALA HA 1 16 HIS H 5.500 . 5.500 3.817 3.592 4.056 . 0 0 "[ . 1]" 1
132 1 14 ALA HA 1 17 LEU H 5.500 . 5.500 4.227 3.974 4.478 . 0 0 "[ . 1]" 1
133 1 14 ALA HA 1 17 LEU HB3 5.500 . 5.500 5.170 4.938 5.501 0.001 9 0 "[ . 1]" 1
134 1 14 ALA MB 1 15 GLY H 5.500 . 5.500 2.627 2.181 3.024 . 0 0 "[ . 1]" 1
135 1 14 ALA MB 1 16 HIS H 5.500 . 5.500 4.219 3.946 4.482 . 0 0 "[ . 1]" 1
136 1 15 GLY H 1 16 HIS H 5.500 . 5.500 2.420 2.069 2.689 . 0 0 "[ . 1]" 1
137 1 15 GLY HA2 1 16 HIS H 5.500 . 5.500 3.336 3.272 3.418 . 0 0 "[ . 1]" 1
138 1 15 GLY HA2 1 18 ALA H 5.500 . 5.500 3.706 3.391 4.028 . 0 0 "[ . 1]" 1
139 1 15 GLY HA2 1 18 ALA MB 3.400 . 3.400 2.541 2.338 2.667 . 0 0 "[ . 1]" 1
140 1 15 GLY HA3 1 16 HIS H 5.500 . 5.500 3.226 3.120 3.297 . 0 0 "[ . 1]" 1
141 1 16 HIS H 1 16 HIS HB3 2.800 . 2.800 2.652 2.377 2.793 . 0 0 "[ . 1]" 1
142 1 16 HIS H 1 16 HIS HD2 5.500 . 5.500 5.139 4.917 5.341 . 0 0 "[ . 1]" 1
143 1 16 HIS H 1 17 LEU H 2.800 . 2.800 2.698 2.554 2.807 0.007 2 0 "[ . 1]" 1
144 1 16 HIS H 1 18 ALA H 5.500 . 5.500 3.653 3.487 3.926 . 0 0 "[ . 1]" 1
145 1 16 HIS HA 1 16 HIS HB3 2.800 . 2.800 2.987 2.976 3.001 0.201 7 0 "[ . 1]" 1
146 1 16 HIS HA 1 17 LEU H 5.500 . 5.500 3.569 3.565 3.573 . 0 0 "[ . 1]" 1
147 1 16 HIS HA 1 19 SER H 5.500 . 5.500 3.752 3.615 3.883 . 0 0 "[ . 1]" 1
148 1 16 HIS HA 1 20 LYS H 5.500 . 5.500 4.864 4.567 5.281 . 0 0 "[ . 1]" 1
149 1 16 HIS HB3 1 17 LEU H 3.400 . 3.400 2.112 1.907 2.286 . 0 0 "[ . 1]" 1
150 1 16 HIS HB3 1 18 ALA H 5.500 . 5.500 4.549 4.382 4.715 . 0 0 "[ . 1]" 1
151 1 17 LEU H 1 17 LEU HB2 3.400 . 3.400 3.548 3.547 3.551 0.151 9 0 "[ . 1]" 1
152 1 17 LEU H 1 17 LEU HB3 2.800 . 2.800 2.505 2.457 2.575 . 0 0 "[ . 1]" 1
153 1 17 LEU H 1 17 LEU MD1 5.500 . 5.500 3.740 3.656 3.800 . 0 0 "[ . 1]" 1
154 1 17 LEU H 1 17 LEU MD2 5.500 . 5.500 2.631 2.610 2.655 . 0 0 "[ . 1]" 1
155 1 17 LEU H 1 17 LEU HG 3.400 . 3.400 2.145 2.010 2.244 . 0 0 "[ . 1]" 1
156 1 17 LEU H 1 18 ALA H 3.400 . 3.400 2.706 2.645 2.748 . 0 0 "[ . 1]" 1
157 1 17 LEU HA 1 17 LEU MD2 5.500 3.900 5.500 3.988 3.964 4.000 . 0 0 "[ . 1]" 1
158 1 17 LEU HA 1 18 ALA H 5.500 . 5.500 3.526 3.513 3.545 . 0 0 "[ . 1]" 1
159 1 17 LEU HA 1 19 SER H 5.500 . 5.500 4.315 3.875 4.585 . 0 0 "[ . 1]" 1
160 1 17 LEU HA 1 20 LYS H 5.500 . 5.500 3.321 3.145 3.611 . 0 0 "[ . 1]" 1
161 1 17 LEU HA 1 20 LYS HB3 5.500 . 5.500 3.259 2.778 3.924 . 0 0 "[ . 1]" 1
162 1 17 LEU HA 1 21 VAL H 5.500 . 5.500 4.627 4.138 4.951 . 0 0 "[ . 1]" 1
163 1 17 LEU HB2 1 17 LEU MD2 . . 3.400 2.772 2.751 2.794 . 0 0 "[ . 1]" 1
164 1 17 LEU HB2 1 17 LEU HG 2.800 . 2.800 2.930 2.928 2.934 0.134 9 0 "[ . 1]" 1
165 1 17 LEU HB2 1 18 ALA H 5.500 . 5.500 3.753 3.642 3.828 . 0 0 "[ . 1]" 1
166 1 18 ALA H 1 18 ALA HA 2.800 . 2.800 2.791 2.763 2.836 0.036 10 0 "[ . 1]" 1
167 1 18 ALA H 1 18 ALA MB 3.400 . 3.400 2.217 2.176 2.237 . 0 0 "[ . 1]" 1
168 1 18 ALA H 1 19 SER H . . 3.400 2.783 2.582 2.879 . 0 0 "[ . 1]" 1
169 1 18 ALA H 1 20 LYS H 5.500 . 5.500 4.143 3.943 4.861 . 0 0 "[ . 1]" 1
170 1 18 ALA HA 1 21 VAL H 5.500 . 5.500 3.570 3.298 3.676 . 0 0 "[ . 1]" 1
171 1 18 ALA HA 1 21 VAL HB 5.500 . 5.500 3.313 2.340 3.846 . 0 0 "[ . 1]" 1
172 1 18 ALA HA 1 22 MET H 5.500 . 5.500 4.804 4.147 5.289 . 0 0 "[ . 1]" 1
173 1 18 ALA MB 1 19 SER H 5.500 . 5.500 2.470 2.290 2.743 . 0 0 "[ . 1]" 1
174 1 19 SER H 1 19 SER HA 2.800 . 2.800 2.818 2.804 2.837 0.037 8 0 "[ . 1]" 1
175 1 19 SER H 1 19 SER HB3 3.400 . 3.400 3.315 2.304 3.434 0.034 8 0 "[ . 1]" 1
176 1 19 SER HA 1 19 SER HB3 2.800 . 2.800 2.723 2.574 2.754 . 0 0 "[ . 1]" 1
177 1 19 SER HA 1 20 LYS H 5.500 . 5.500 3.520 3.493 3.563 . 0 0 "[ . 1]" 1
178 1 19 SER HA 1 22 MET H 5.500 . 5.500 3.437 3.130 3.809 . 0 0 "[ . 1]" 1
179 1 19 SER HA 1 22 MET HB2 5.500 . 5.500 3.131 2.476 3.574 . 0 0 "[ . 1]" 1
180 1 19 SER HA 1 22 MET HB3 5.500 . 5.500 4.769 4.128 5.268 . 0 0 "[ . 1]" 1
181 1 19 SER HA 1 23 ASN H 5.500 . 5.500 3.870 3.413 4.676 . 0 0 "[ . 1]" 1
182 1 19 SER HB2 1 20 LYS H 3.400 . 3.400 3.096 2.936 3.430 0.030 9 0 "[ . 1]" 1
183 1 19 SER HB3 1 20 LYS H 3.400 . 3.400 3.340 3.135 3.429 0.029 9 0 "[ . 1]" 1
184 1 20 LYS H 1 20 LYS HA 2.800 . 2.800 2.808 2.799 2.828 0.028 10 0 "[ . 1]" 1
185 1 20 LYS H 1 20 LYS HB3 2.800 . 2.800 2.798 2.744 2.811 0.011 8 0 "[ . 1]" 1
186 1 20 LYS H 1 20 LYS HG2 5.500 . 5.500 4.656 4.645 4.659 . 0 0 "[ . 1]" 1
187 1 20 LYS H 1 20 LYS HG3 5.500 . 5.500 4.431 4.425 4.459 . 0 0 "[ . 1]" 1
188 1 20 LYS H 1 21 VAL H . . 2.800 2.671 2.582 2.749 . 0 0 "[ . 1]" 1
189 1 20 LYS H 1 22 MET H 5.500 . 5.500 4.268 4.023 4.507 . 0 0 "[ . 1]" 1
190 1 20 LYS HA 1 20 LYS HB3 2.800 . 2.800 2.983 2.978 2.989 0.189 5 0 "[ . 1]" 1
191 1 20 LYS HA 1 23 ASN H 5.500 . 5.500 3.735 3.300 4.148 . 0 0 "[ . 1]" 1
192 1 20 LYS HA 1 23 ASN QD 5.500 . 5.500 4.078 3.453 4.949 . 0 0 "[ . 1]" 1
193 1 20 LYS HA 1 23 ASN HD22 5.500 . 5.500 5.129 4.354 5.499 . 0 0 "[ . 1]" 1
194 1 20 LYS HB3 1 20 LYS HG3 2.800 . 2.800 2.646 2.589 2.655 . 0 0 "[ . 1]" 1
195 1 20 LYS HB3 1 21 VAL H 3.400 . 3.400 2.762 2.401 2.995 . 0 0 "[ . 1]" 1
196 1 21 VAL H 1 21 VAL HB 2.800 . 2.800 2.492 2.436 2.589 . 0 0 "[ . 1]" 1
197 1 21 VAL H 1 22 MET H . . 2.800 2.630 2.384 2.812 0.012 9 0 "[ . 1]" 1
198 1 21 VAL MG1 1 22 MET H 5.500 . 5.500 3.438 3.123 3.707 . 0 0 "[ . 1]" 1
199 1 21 VAL MG2 1 22 MET H 5.500 . 5.500 3.845 3.710 4.052 . 0 0 "[ . 1]" 1
200 1 22 MET H 1 22 MET HG2 3.400 . 3.400 3.255 3.069 3.404 0.004 9 0 "[ . 1]" 1
201 1 22 MET H 1 22 MET HG3 2.800 . 2.800 2.194 1.941 2.538 . 0 0 "[ . 1]" 1
202 1 22 MET H 1 23 ASN H 3.400 . 3.400 2.648 2.277 2.970 . 0 0 "[ . 1]" 1
203 1 22 MET HA 1 22 MET HG2 3.400 . 3.400 2.460 2.343 2.637 . 0 0 "[ . 1]" 1
204 1 22 MET HA 1 22 MET HG3 3.400 . 3.400 3.169 2.882 3.322 . 0 0 "[ . 1]" 1
205 1 22 MET HA 1 23 ASN H 5.500 . 5.500 3.562 3.479 3.576 . 0 0 "[ . 1]" 1
206 1 22 MET HG2 1 23 ASN H 5.500 . 5.500 4.746 4.638 4.856 . 0 0 "[ . 1]" 1
207 1 22 MET HG3 1 23 ASN H 5.500 . 5.500 4.066 3.905 4.241 . 0 0 "[ . 1]" 1
208 1 23 ASN H 1 23 ASN HB2 . . 3.400 2.601 2.410 2.842 . 0 0 "[ . 1]" 1
209 1 23 ASN HA 1 23 ASN HB3 2.800 . 2.800 2.434 2.354 2.510 . 0 0 "[ . 1]" 1
210 1 23 ASN HB3 1 23 ASN QD 3.400 . 3.400 2.750 2.355 2.992 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 12:49:41 AM GMT (wattos1)