NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390919 |
1p0g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p0g
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 129
_Distance_constraint_stats_list.Viol_count 385
_Distance_constraint_stats_list.Viol_total 402.723
_Distance_constraint_stats_list.Viol_max 0.212
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0523
_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 2 LYS 0.090 0.016 4 0 "[ . 1 . 2]"
1 3 LYS 5.817 0.108 17 0 "[ . 1 . 2]"
1 4 VAL 3.150 0.093 19 0 "[ . 1 . 2]"
1 5 PHE 10.160 0.212 19 0 "[ . 1 . 2]"
1 6 LYS 4.863 0.212 19 0 "[ . 1 . 2]"
1 7 ARG 0.749 0.028 17 0 "[ . 1 . 2]"
1 8 LEU 0.982 0.047 2 0 "[ . 1 . 2]"
1 9 GLU 1.394 0.064 13 0 "[ . 1 . 2]"
1 10 LYS 0.664 0.038 13 0 "[ . 1 . 2]"
1 11 LEU 1.085 0.052 7 0 "[ . 1 . 2]"
1 12 PHE 1.324 0.049 12 0 "[ . 1 . 2]"
1 13 SER 2.602 0.114 7 0 "[ . 1 . 2]"
1 14 LYS 4.248 0.120 15 0 "[ . 1 . 2]"
1 15 ILE 2.604 0.120 15 0 "[ . 1 . 2]"
1 16 GLN 0.412 0.027 10 0 "[ . 1 . 2]"
1 17 ASN 0.001 0.001 3 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 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 2 LYS H 1 2 LYS HB2 4.000 . 5.000 2.752 2.221 3.688 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS H 1 2 LYS HB3 3.000 . 3.300 2.822 2.558 3.266 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS H 1 2 LYS QD 4.000 . 6.000 4.134 1.986 4.744 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS QG 4.000 . 6.000 3.614 1.943 4.135 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 3 LYS H 3.000 . 3.300 3.235 3.154 3.316 0.016 4 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 3 LYS H 2.500 . 2.700 2.682 2.606 2.715 0.015 16 0 "[ . 1 . 2]" 1
7 1 3 LYS H 1 3 LYS HB2 4.000 . 5.000 3.419 2.322 3.954 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS H 1 3 LYS HB3 3.000 . 3.300 3.102 2.659 3.375 0.075 9 0 "[ . 1 . 2]" 1
9 1 3 LYS H 1 3 LYS QD 4.000 . 6.000 4.403 3.770 4.900 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS H 1 3 LYS QG 4.000 . 6.000 3.160 1.947 4.260 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS H 1 4 VAL H 4.000 . 5.000 2.642 2.216 3.130 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 4 VAL H 2.500 . 2.700 2.776 2.760 2.793 0.093 19 0 "[ . 1 . 2]" 1
13 1 3 LYS HA 1 5 PHE H 4.000 . 5.000 2.646 2.618 2.663 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS HA 1 5 PHE HB2 3.000 . 3.300 3.403 3.399 3.406 0.106 4 0 "[ . 1 . 2]" 1
15 1 3 LYS HA 1 5 PHE HB3 3.000 . 3.300 3.401 3.396 3.408 0.108 17 0 "[ . 1 . 2]" 1
16 1 3 LYS HB2 1 4 VAL H 4.000 . 5.000 4.488 4.395 4.606 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS HB2 1 5 PHE H 4.000 . 5.000 4.479 4.018 5.015 0.015 5 0 "[ . 1 . 2]" 1
18 1 3 LYS HB3 1 4 VAL H 4.000 . 5.000 4.425 4.179 4.623 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS QD 1 4 VAL H 4.000 . 6.500 5.335 4.775 5.758 . 0 0 "[ . 1 . 2]" 1
20 1 3 LYS QG 1 4 VAL H 4.000 . 6.000 4.055 3.736 4.569 . 0 0 "[ . 1 . 2]" 1
21 1 4 VAL H 1 4 VAL HB 2.500 . 3.200 2.649 2.591 2.695 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL H 1 4 VAL MG1 3.000 . 5.300 3.093 1.959 3.791 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL H 1 4 VAL MG2 3.000 . 5.300 2.765 1.962 3.789 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL H 1 5 PHE H 4.000 . 5.000 2.369 2.347 2.392 . 0 0 "[ . 1 . 2]" 1
25 1 4 VAL HA 1 5 PHE H 2.500 . 3.200 3.266 3.249 3.285 0.085 17 0 "[ . 1 . 2]" 1
26 1 4 VAL HA 1 7 ARG H 3.000 . 3.300 3.312 3.235 3.328 0.028 17 0 "[ . 1 . 2]" 1
27 1 4 VAL HB 1 5 PHE H 4.000 . 5.000 3.682 3.287 4.237 . 0 0 "[ . 1 . 2]" 1
28 1 4 VAL MG1 1 5 PHE H 3.000 . 4.800 3.479 2.523 4.106 . 0 0 "[ . 1 . 2]" 1
29 1 4 VAL MG1 1 7 ARG H 4.000 . 7.000 3.754 3.013 4.715 . 0 0 "[ . 1 . 2]" 1
30 1 4 VAL MG2 1 5 PHE H 3.000 . 4.800 3.928 3.797 4.021 . 0 0 "[ . 1 . 2]" 1
31 1 5 PHE H 1 5 PHE HB2 3.000 . 3.300 2.309 2.268 2.341 . 0 0 "[ . 1 . 2]" 1
32 1 5 PHE H 1 5 PHE HB3 3.000 . 3.300 2.582 2.554 2.625 . 0 0 "[ . 1 . 2]" 1
33 1 5 PHE H 1 6 LYS H 4.000 . 5.000 2.759 2.716 2.801 . 0 0 "[ . 1 . 2]" 1
34 1 5 PHE HA 1 6 LYS H 2.500 . 3.200 3.406 3.399 3.412 0.212 19 0 "[ . 1 . 2]" 1
35 1 5 PHE HA 1 7 ARG H 4.000 . 5.000 4.250 4.082 4.478 . 0 0 "[ . 1 . 2]" 1
36 1 5 PHE HA 1 8 LEU H 3.000 . 3.300 3.330 3.320 3.338 0.038 12 0 "[ . 1 . 2]" 1
37 1 5 PHE HA 1 8 LEU HB3 4.000 . 5.000 3.804 2.813 4.540 . 0 0 "[ . 1 . 2]" 1
38 1 5 PHE HB2 1 6 LYS H 4.000 . 5.000 3.975 3.930 4.012 . 0 0 "[ . 1 . 2]" 1
39 1 5 PHE HB3 1 6 LYS H 4.000 . 5.000 2.916 2.891 2.963 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 6 LYS HB2 3.000 . 3.300 2.336 2.113 2.591 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 6 LYS HB3 3.000 . 3.300 2.813 2.494 3.236 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS H 1 6 LYS QD 4.000 . 5.000 4.197 2.979 4.518 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 6 LYS QG 4.000 . 6.000 3.936 3.772 4.049 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS H 1 7 ARG H 4.000 . 5.000 2.530 2.470 2.568 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS HA 1 7 ARG H 3.000 . 3.800 3.526 3.495 3.542 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS HA 1 9 GLU H 3.000 . 3.300 3.337 3.319 3.364 0.064 13 0 "[ . 1 . 2]" 1
47 1 6 LYS HA 1 9 GLU HB2 4.000 . 5.000 3.202 2.685 4.754 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS HA 1 9 GLU HB3 4.000 . 5.000 4.053 3.307 4.841 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS HA 1 9 GLU QG 4.000 . 6.000 3.971 1.898 5.122 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS QG 1 7 ARG H 4.000 . 6.000 4.102 3.691 4.460 . 0 0 "[ . 1 . 2]" 1
51 1 7 ARG H 1 7 ARG HB2 4.000 . 5.000 2.247 2.085 2.474 . 0 0 "[ . 1 . 2]" 1
52 1 7 ARG H 1 7 ARG HB3 4.000 . 5.000 3.512 3.339 3.594 . 0 0 "[ . 1 . 2]" 1
53 1 7 ARG H 1 7 ARG QG 3.000 . 4.300 2.861 2.246 3.521 . 0 0 "[ . 1 . 2]" 1
54 1 7 ARG H 1 8 LEU H 4.000 . 5.000 2.581 2.519 2.636 . 0 0 "[ . 1 . 2]" 1
55 1 7 ARG HA 1 8 LEU H 4.000 . 5.000 3.500 3.481 3.524 . 0 0 "[ . 1 . 2]" 1
56 1 7 ARG HA 1 10 LYS H 3.000 . 3.300 3.249 3.207 3.311 0.011 13 0 "[ . 1 . 2]" 1
57 1 7 ARG HA 1 10 LYS HB3 4.000 . 5.000 3.754 2.728 4.456 . 0 0 "[ . 1 . 2]" 1
58 1 7 ARG HB3 1 10 LYS H 4.000 . 5.000 5.011 4.981 5.026 0.026 2 0 "[ . 1 . 2]" 1
59 1 7 ARG HB3 1 11 LEU H 4.000 . 5.000 4.994 4.825 5.019 0.019 6 0 "[ . 1 . 2]" 1
60 1 8 LEU H 1 8 LEU QB 3.000 . 4.300 2.162 2.032 2.486 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU H 1 8 LEU QD 4.000 . 6.000 3.230 2.229 3.733 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU H 1 8 LEU HG 4.000 . 5.000 3.860 2.185 4.586 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU H 1 9 GLU H 3.000 . 3.300 2.619 2.556 2.691 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU HA 1 9 GLU H 4.000 . 5.000 3.524 3.505 3.560 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU HA 1 11 LEU H 3.000 . 3.300 3.315 3.206 3.347 0.047 2 0 "[ . 1 . 2]" 1
66 1 8 LEU QB 1 9 GLU H 4.000 . 6.000 2.690 2.550 2.814 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU QD 1 9 GLU H 4.000 . 7.000 4.027 3.494 4.198 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HG 1 9 GLU H 4.000 . 5.000 4.700 3.921 5.001 0.001 3 0 "[ . 1 . 2]" 1
69 1 9 GLU H 1 9 GLU HB2 4.000 . 5.000 2.396 2.117 3.605 . 0 0 "[ . 1 . 2]" 1
70 1 9 GLU H 1 9 GLU HB3 4.000 . 5.000 3.133 2.597 3.599 . 0 0 "[ . 1 . 2]" 1
71 1 9 GLU H 1 9 GLU QG 3.000 . 4.800 3.229 1.952 4.051 . 0 0 "[ . 1 . 2]" 1
72 1 9 GLU H 1 10 LYS H 3.000 . 3.800 2.542 2.475 2.692 . 0 0 "[ . 1 . 2]" 1
73 1 9 GLU HA 1 10 LYS H 4.000 . 5.000 3.497 3.463 3.545 . 0 0 "[ . 1 . 2]" 1
74 1 9 GLU HA 1 12 PHE H 3.000 . 3.300 3.333 3.325 3.349 0.049 12 0 "[ . 1 . 2]" 1
75 1 9 GLU HA 1 12 PHE HB2 4.000 . 5.000 3.156 2.941 3.443 . 0 0 "[ . 1 . 2]" 1
76 1 9 GLU HA 1 12 PHE HB3 4.000 . 5.000 3.166 2.832 3.513 . 0 0 "[ . 1 . 2]" 1
77 1 9 GLU HA 1 13 SER H 4.000 . 5.000 4.653 4.430 4.840 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLU QG 1 10 LYS H 3.000 . 4.800 4.113 2.397 4.395 . 0 0 "[ . 1 . 2]" 1
79 1 10 LYS H 1 10 LYS HB2 4.000 . 5.000 2.281 2.086 3.518 . 0 0 "[ . 1 . 2]" 1
80 1 10 LYS H 1 10 LYS HB3 4.000 . 5.000 3.218 2.225 3.601 . 0 0 "[ . 1 . 2]" 1
81 1 10 LYS H 1 10 LYS QD 4.000 . 6.000 3.958 2.409 4.657 . 0 0 "[ . 1 . 2]" 1
82 1 10 LYS H 1 10 LYS QG 4.000 . 6.000 3.307 2.079 3.970 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS H 1 11 LEU H 4.000 . 5.000 2.517 2.476 2.587 . 0 0 "[ . 1 . 2]" 1
84 1 10 LYS HA 1 11 LEU H 4.000 . 5.000 3.511 3.484 3.540 . 0 0 "[ . 1 . 2]" 1
85 1 10 LYS HA 1 12 PHE H 4.000 . 5.000 4.130 4.037 4.337 . 0 0 "[ . 1 . 2]" 1
86 1 10 LYS HA 1 13 SER H 3.000 . 3.300 3.321 3.307 3.338 0.038 13 0 "[ . 1 . 2]" 1
87 1 10 LYS QG 1 11 LEU H 4.000 . 6.000 4.221 2.184 4.590 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU H 1 11 LEU QB 3.000 . 4.300 2.108 2.041 2.245 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU H 1 11 LEU QD 4.000 . 6.000 3.239 2.065 3.737 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU H 1 11 LEU HG 4.000 . 5.000 4.152 2.833 4.527 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU H 1 12 PHE H 2.500 . 2.700 2.569 2.498 2.651 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HA 1 12 PHE H 4.000 . 5.000 3.507 3.495 3.540 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HA 1 14 LYS H 3.000 . 3.300 3.325 3.315 3.352 0.052 7 0 "[ . 1 . 2]" 1
94 1 12 PHE H 1 12 PHE HB2 2.500 . 2.700 2.435 2.368 2.562 . 0 0 "[ . 1 . 2]" 1
95 1 12 PHE H 1 12 PHE HB3 2.500 . 2.700 2.651 2.519 2.708 0.008 14 0 "[ . 1 . 2]" 1
96 1 12 PHE H 1 13 SER H 2.500 . 2.700 2.558 2.470 2.621 . 0 0 "[ . 1 . 2]" 1
97 1 12 PHE HA 1 13 SER H 4.000 . 5.000 3.501 3.465 3.524 . 0 0 "[ . 1 . 2]" 1
98 1 12 PHE HA 1 14 LYS H 4.000 . 5.000 3.768 3.717 3.860 . 0 0 "[ . 1 . 2]" 1
99 1 12 PHE HA 1 15 ILE H 3.000 . 3.300 3.332 3.317 3.343 0.043 7 0 "[ . 1 . 2]" 1
100 1 12 PHE HA 1 15 ILE HG12 4.000 . 5.000 3.904 2.350 4.635 . 0 0 "[ . 1 . 2]" 1
101 1 12 PHE HA 1 15 ILE MG 4.000 . 6.000 4.423 4.366 4.469 . 0 0 "[ . 1 . 2]" 1
102 1 12 PHE HB2 1 13 SER H 4.000 . 5.000 3.881 3.801 4.008 . 0 0 "[ . 1 . 2]" 1
103 1 12 PHE HB3 1 13 SER H 4.000 . 5.000 2.795 2.698 2.965 . 0 0 "[ . 1 . 2]" 1
104 1 13 SER H 1 14 LYS H 2.500 . 2.700 2.478 2.419 2.514 . 0 0 "[ . 1 . 2]" 1
105 1 13 SER HA 1 14 LYS H 3.000 . 3.300 3.389 3.373 3.414 0.114 7 0 "[ . 1 . 2]" 1
106 1 13 SER HA 1 16 GLN H 3.000 . 3.300 3.321 3.307 3.327 0.027 10 0 "[ . 1 . 2]" 1
107 1 14 LYS H 1 14 LYS HB2 4.000 . 5.000 2.406 2.152 3.626 . 0 0 "[ . 1 . 2]" 1
108 1 14 LYS H 1 14 LYS HB3 4.000 . 5.000 3.208 2.455 3.633 . 0 0 "[ . 1 . 2]" 1
109 1 14 LYS H 1 14 LYS QD 4.000 . 6.000 4.176 3.445 4.682 . 0 0 "[ . 1 . 2]" 1
110 1 14 LYS H 1 14 LYS QG 4.000 . 6.000 3.262 2.245 4.011 . 0 0 "[ . 1 . 2]" 1
111 1 14 LYS H 1 15 ILE H 3.000 . 3.300 2.309 2.256 2.352 . 0 0 "[ . 1 . 2]" 1
112 1 14 LYS HA 1 15 ILE H 3.000 . 3.300 3.398 3.384 3.420 0.120 15 0 "[ . 1 . 2]" 1
113 1 14 LYS HA 1 17 ASN QB 4.000 . 6.500 3.249 2.434 4.616 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE H 1 15 ILE HB 3.000 . 3.300 2.610 2.577 2.663 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE H 1 15 ILE MD 4.000 . 6.000 3.377 2.991 3.682 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE H 1 15 ILE HG12 3.000 . 3.800 3.256 2.119 3.739 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE H 1 15 ILE HG13 3.000 . 3.800 2.445 2.079 3.692 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE H 1 15 ILE MG 3.000 . 4.800 3.797 3.790 3.800 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE H 1 16 GLN H 3.000 . 3.300 2.317 2.307 2.350 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE HA 1 16 GLN H 4.000 . 5.000 3.489 3.443 3.508 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLN H 1 17 ASN H 3.000 . 3.300 2.646 2.103 3.301 0.001 3 0 "[ . 1 . 2]" 1
122 1 16 GLN HA 1 17 ASN H 4.000 . 5.000 3.149 2.378 3.571 . 0 0 "[ . 1 . 2]" 1
123 1 17 ASN H 1 17 ASN QB 2.500 . 3.700 2.277 2.070 2.541 . 0 0 "[ . 1 . 2]" 1
124 1 17 ASN H 1 18 ASP H 4.000 . 5.000 3.919 2.194 4.638 . 0 0 "[ . 1 . 2]" 1
125 1 17 ASN HA 1 18 ASP H 4.000 . 5.000 2.618 2.139 3.561 . 0 0 "[ . 1 . 2]" 1
126 1 18 ASP H 1 18 ASP HB2 4.000 . 5.000 2.637 2.090 3.619 . 0 0 "[ . 1 . 2]" 1
127 1 18 ASP H 1 18 ASP HB3 4.000 . 5.000 3.030 2.573 3.675 . 0 0 "[ . 1 . 2]" 1
128 1 18 ASP H 1 19 LYS H 3.000 . 3.300 2.690 2.181 3.165 . 0 0 "[ . 1 . 2]" 1
129 1 18 ASP HA 1 19 LYS H 4.000 . 5.000 3.353 2.741 3.570 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 4:36:34 AM GMT (wattos1)