NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620696 |
2nde   |
26057 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nde
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 139
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 20.303
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0495
_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 GLY 0.018 0.018 5 0 "[ . 1]"
1 3 LEU 0.126 0.058 3 0 "[ . 1]"
1 4 ARG 0.483 0.120 6 0 "[ . 1]"
1 5 GLY 0.018 0.018 5 0 "[ . 1]"
1 6 LEU 0.013 0.013 6 0 "[ . 1]"
1 7 GLY 1.099 0.156 4 0 "[ . 1]"
1 8 ARG 0.476 0.120 6 0 "[ . 1]"
1 9 LYS 0.000 0.000 . 0 "[ . 1]"
1 10 ILE 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 0.180 0.103 1 0 "[ . 1]"
1 12 LEU 0.000 0.000 . 0 "[ . 1]"
1 13 ILE 0.024 0.024 1 0 "[ . 1]"
1 14 HIS 0.152 0.070 6 0 "[ . 1]"
1 15 LYS 0.128 0.070 6 0 "[ . 1]"
1 16 LYS 0.550 0.102 2 0 "[ . 1]"
1 17 TYR 0.791 0.156 4 0 "[ . 1]"
1 18 GLY 0.003 0.003 8 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 2 GLY QA 1 5 GLY H 6.500 . 6.500 6.173 5.618 6.518 0.018 5 0 "[ . 1]" 1
2 1 3 LEU HA 1 4 ARG HE 6.500 . 6.500 4.729 3.146 5.702 . 0 0 "[ . 1]" 1
3 1 3 LEU HA 1 7 GLY H 6.500 . 6.500 6.242 5.835 6.558 0.058 3 0 "[ . 1]" 1
4 1 3 LEU QD 1 4 ARG HE 6.500 . 6.500 5.463 4.639 6.506 0.006 1 0 "[ . 1]" 1
5 1 3 LEU MD1 1 7 GLY H 6.500 . 6.500 4.214 3.097 5.061 . 0 0 "[ . 1]" 1
6 1 3 LEU MD2 1 7 GLY H 6.500 . 6.500 5.250 4.295 6.529 0.029 1 0 "[ . 1]" 1
7 1 4 ARG H 1 4 ARG HE 6.500 . 6.500 4.117 2.943 4.947 . 0 0 "[ . 1]" 1
8 1 4 ARG H 1 5 GLY H 6.500 . 6.500 2.507 2.221 2.668 . 0 0 "[ . 1]" 1
9 1 4 ARG H 1 7 GLY H 6.500 . 6.500 4.136 3.862 4.370 . 0 0 "[ . 1]" 1
10 1 4 ARG HA 1 4 ARG HE 6.500 . 6.500 3.480 1.560 4.574 . 0 0 "[ . 1]" 1
11 1 4 ARG HA 1 7 GLY QA 6.500 . 6.500 5.677 5.273 6.170 . 0 0 "[ . 1]" 1
12 1 4 ARG HA 1 8 ARG H 6.500 . 6.500 5.178 4.260 6.610 0.110 4 0 "[ . 1]" 1
13 1 4 ARG HA 1 8 ARG HE 6.500 . 6.500 6.036 4.636 6.620 0.120 6 0 "[ . 1]" 1
14 1 4 ARG QB 1 5 GLY H 6.500 . 6.500 3.368 3.126 3.603 . 0 0 "[ . 1]" 1
15 1 4 ARG QB 1 5 GLY QA 6.500 . 6.500 4.240 4.144 4.300 . 0 0 "[ . 1]" 1
16 1 4 ARG QB 1 7 GLY QA 6.500 . 6.500 3.049 2.456 3.854 . 0 0 "[ . 1]" 1
17 1 4 ARG QB 1 9 LYS H 6.500 . 6.500 3.515 2.946 4.256 . 0 0 "[ . 1]" 1
18 1 4 ARG HG2 1 5 GLY H 6.500 . 6.500 4.606 4.382 4.791 . 0 0 "[ . 1]" 1
19 1 4 ARG HG3 1 5 GLY H 6.500 . 6.500 5.570 5.321 5.778 . 0 0 "[ . 1]" 1
20 1 5 GLY H 1 6 LEU H 6.500 . 6.500 3.602 3.556 3.675 . 0 0 "[ . 1]" 1
21 1 5 GLY H 1 7 GLY H 6.500 . 6.500 3.459 3.329 3.666 . 0 0 "[ . 1]" 1
22 1 5 GLY QA 1 6 LEU H 5.500 . 5.500 2.550 2.523 2.594 . 0 0 "[ . 1]" 1
23 1 6 LEU H 1 7 GLY H 6.500 . 6.500 2.441 2.260 2.598 . 0 0 "[ . 1]" 1
24 1 6 LEU H 1 8 ARG H 6.500 . 6.500 3.844 3.553 4.209 . 0 0 "[ . 1]" 1
25 1 6 LEU QB 1 7 GLY H 6.500 . 6.500 3.435 3.138 3.581 . 0 0 "[ . 1]" 1
26 1 6 LEU QB 1 14 HIS QB 6.500 . 6.500 5.134 4.588 6.026 . 0 0 "[ . 1]" 1
27 1 6 LEU QB 1 17 TYR QD 6.500 . 6.500 5.715 4.520 6.513 0.013 6 0 "[ . 1]" 1
28 1 6 LEU QB 1 17 TYR QE 6.500 . 6.500 4.335 3.524 5.025 . 0 0 "[ . 1]" 1
29 1 6 LEU HB2 1 7 GLY H 6.500 . 6.500 3.734 3.495 4.087 . 0 0 "[ . 1]" 1
30 1 6 LEU HB3 1 7 GLY H 6.500 . 6.500 4.111 3.261 4.313 . 0 0 "[ . 1]" 1
31 1 6 LEU QD 1 17 TYR QB 6.500 . 6.500 5.414 4.252 6.222 . 0 0 "[ . 1]" 1
32 1 7 GLY H 1 8 ARG H 6.500 . 6.500 2.782 2.454 3.096 . 0 0 "[ . 1]" 1
33 1 7 GLY H 1 9 LYS H 6.500 . 6.500 5.470 5.046 5.859 . 0 0 "[ . 1]" 1
34 1 7 GLY QA 1 8 ARG QG 6.500 . 6.500 4.222 4.012 4.540 . 0 0 "[ . 1]" 1
35 1 7 GLY QA 1 10 ILE H 6.500 . 6.500 3.097 2.875 3.459 . 0 0 "[ . 1]" 1
36 1 7 GLY QA 1 10 ILE HB 6.500 . 6.500 2.167 1.693 2.523 . 0 0 "[ . 1]" 1
37 1 7 GLY QA 1 10 ILE MD 6.500 . 6.500 3.619 1.998 4.493 . 0 0 "[ . 1]" 1
38 1 7 GLY QA 1 10 ILE MG 6.500 . 6.500 3.473 3.234 3.686 . 0 0 "[ . 1]" 1
39 1 7 GLY QA 1 11 ALA H 6.500 . 6.500 4.710 4.210 4.948 . 0 0 "[ . 1]" 1
40 1 7 GLY QA 1 16 LYS QB 6.500 . 6.500 6.468 5.917 6.602 0.102 2 0 "[ . 1]" 1
41 1 7 GLY QA 1 17 TYR H 6.500 . 6.500 6.491 6.179 6.656 0.156 4 0 "[ . 1]" 1
42 1 8 ARG H 1 10 ILE H 6.500 . 6.500 3.564 3.229 4.329 . 0 0 "[ . 1]" 1
43 1 8 ARG HA 1 9 LYS HA 6.500 . 6.500 4.653 4.571 4.706 . 0 0 "[ . 1]" 1
44 1 10 ILE H 1 11 ALA H 6.500 . 6.500 2.913 2.843 3.035 . 0 0 "[ . 1]" 1
45 1 10 ILE HA 1 11 ALA H 5.500 . 5.500 2.886 2.848 2.913 . 0 0 "[ . 1]" 1
46 1 10 ILE HA 1 11 ALA MB 6.500 . 6.500 4.475 4.425 4.538 . 0 0 "[ . 1]" 1
47 1 10 ILE HA 1 13 ILE H 6.500 . 6.500 4.024 3.792 4.178 . 0 0 "[ . 1]" 1
48 1 10 ILE HA 1 13 ILE MG 6.500 . 6.500 5.925 5.664 6.098 . 0 0 "[ . 1]" 1
49 1 10 ILE HA 1 14 HIS H 6.500 . 6.500 4.964 4.711 5.450 . 0 0 "[ . 1]" 1
50 1 10 ILE HB 1 11 ALA H 6.500 . 6.500 4.105 4.083 4.121 . 0 0 "[ . 1]" 1
51 1 10 ILE HB 1 14 HIS HB2 6.500 . 6.500 3.933 3.163 4.804 . 0 0 "[ . 1]" 1
52 1 10 ILE HB 1 14 HIS HB3 6.500 . 6.500 5.315 4.673 6.422 . 0 0 "[ . 1]" 1
53 1 10 ILE MG 1 11 ALA H 6.500 . 6.500 4.233 4.212 4.251 . 0 0 "[ . 1]" 1
54 1 10 ILE MG 1 11 ALA MB 6.500 . 6.500 5.058 5.027 5.089 . 0 0 "[ . 1]" 1
55 1 10 ILE MG 1 12 LEU H 6.500 . 6.500 3.964 3.782 4.139 . 0 0 "[ . 1]" 1
56 1 11 ALA H 1 12 LEU H 6.500 . 6.500 3.005 2.876 3.117 . 0 0 "[ . 1]" 1
57 1 11 ALA HA 1 14 HIS H 6.500 . 6.500 3.059 2.863 3.290 . 0 0 "[ . 1]" 1
58 1 11 ALA HA 1 14 HIS HB2 6.500 . 6.500 2.279 1.557 2.528 . 0 0 "[ . 1]" 1
59 1 11 ALA HA 1 14 HIS QB 6.500 . 6.500 1.790 1.549 2.277 . 0 0 "[ . 1]" 1
60 1 11 ALA HA 1 14 HIS HB3 6.500 . 6.500 2.031 1.639 2.950 . 0 0 "[ . 1]" 1
61 1 11 ALA HA 1 17 TYR QE 6.500 . 6.500 6.313 5.450 6.603 0.103 1 0 "[ . 1]" 1
62 1 11 ALA MB 1 14 HIS H 6.500 . 6.500 4.263 4.123 4.348 . 0 0 "[ . 1]" 1
63 1 11 ALA MB 1 14 HIS HB2 6.500 . 6.500 3.905 3.158 4.132 . 0 0 "[ . 1]" 1
64 1 11 ALA MB 1 14 HIS QB 6.500 . 6.500 3.163 2.926 3.485 . 0 0 "[ . 1]" 1
65 1 11 ALA MB 1 14 HIS HB3 6.500 . 6.500 3.377 3.081 3.885 . 0 0 "[ . 1]" 1
66 1 12 LEU HA 1 15 LYS H 6.500 . 6.500 4.294 4.036 4.587 . 0 0 "[ . 1]" 1
67 1 12 LEU QB 1 13 ILE H 6.500 . 6.500 2.617 2.546 2.753 . 0 0 "[ . 1]" 1
68 1 13 ILE H 1 14 HIS H 6.500 . 6.500 2.205 2.166 2.309 . 0 0 "[ . 1]" 1
69 1 13 ILE HA 1 14 HIS QB 6.500 . 6.500 5.066 4.967 5.117 . 0 0 "[ . 1]" 1
70 1 13 ILE HA 1 16 LYS H 6.500 . 6.500 3.667 3.353 3.886 . 0 0 "[ . 1]" 1
71 1 13 ILE HA 1 16 LYS QB 6.500 . 6.500 3.137 2.626 3.640 . 0 0 "[ . 1]" 1
72 1 13 ILE HB 1 14 HIS H 6.500 . 6.500 3.088 2.914 3.422 . 0 0 "[ . 1]" 1
73 1 13 ILE HB 1 16 LYS H 6.500 . 6.500 5.358 5.139 5.487 . 0 0 "[ . 1]" 1
74 1 13 ILE MD 1 14 HIS H 6.500 . 6.500 4.607 4.565 4.645 . 0 0 "[ . 1]" 1
75 1 13 ILE MD 1 14 HIS HA 6.500 . 6.500 6.008 5.962 6.063 . 0 0 "[ . 1]" 1
76 1 13 ILE MD 1 14 HIS QB 6.500 . 6.500 5.901 5.856 5.956 . 0 0 "[ . 1]" 1
77 1 13 ILE MD 1 16 LYS H 6.500 . 6.500 5.116 4.869 5.269 . 0 0 "[ . 1]" 1
78 1 13 ILE MD 1 17 TYR QD 6.500 . 6.500 5.886 5.323 6.465 . 0 0 "[ . 1]" 1
79 1 13 ILE MD 1 17 TYR QE 6.500 . 6.500 5.230 4.911 5.926 . 0 0 "[ . 1]" 1
80 1 13 ILE MG 1 14 HIS H 6.500 . 6.500 3.842 3.685 4.081 . 0 0 "[ . 1]" 1
81 1 13 ILE MG 1 14 HIS HA 6.500 . 6.500 3.875 3.711 4.132 . 0 0 "[ . 1]" 1
82 1 13 ILE MG 1 14 HIS HB2 6.500 . 6.500 5.264 5.026 5.608 . 0 0 "[ . 1]" 1
83 1 13 ILE MG 1 14 HIS QB 6.500 . 6.500 4.841 4.673 5.104 . 0 0 "[ . 1]" 1
84 1 13 ILE MG 1 14 HIS HB3 6.500 . 6.500 5.656 5.494 5.872 . 0 0 "[ . 1]" 1
85 1 13 ILE MG 1 14 HIS HD2 6.500 . 6.500 6.072 5.830 6.524 0.024 1 0 "[ . 1]" 1
86 1 13 ILE MG 1 17 TYR QB 6.500 . 6.500 5.100 4.705 5.477 . 0 0 "[ . 1]" 1
87 1 13 ILE MG 1 17 TYR QD 6.500 . 6.500 3.337 2.855 3.791 . 0 0 "[ . 1]" 1
88 1 13 ILE MG 1 17 TYR QE 6.500 . 6.500 2.193 1.846 2.960 . 0 0 "[ . 1]" 1
89 1 14 HIS H 1 14 HIS HD2 6.500 . 6.500 5.038 4.980 5.147 . 0 0 "[ . 1]" 1
90 1 14 HIS H 1 15 LYS H 6.500 . 6.500 2.809 2.713 2.889 . 0 0 "[ . 1]" 1
91 1 14 HIS H 1 16 LYS H 6.500 . 6.500 4.125 3.954 4.268 . 0 0 "[ . 1]" 1
92 1 14 HIS H 1 17 TYR H 6.500 . 6.500 5.627 5.486 5.951 . 0 0 "[ . 1]" 1
93 1 14 HIS HA 1 17 TYR H 6.500 . 6.500 3.829 3.623 4.091 . 0 0 "[ . 1]" 1
94 1 14 HIS HA 1 17 TYR QD 6.500 . 6.500 3.928 3.426 4.232 . 0 0 "[ . 1]" 1
95 1 14 HIS HA 1 17 TYR QE 6.500 . 6.500 2.889 2.263 3.319 . 0 0 "[ . 1]" 1
96 1 14 HIS HA 1 18 GLY H 6.500 . 6.500 4.499 3.975 4.990 . 0 0 "[ . 1]" 1
97 1 14 HIS QB 1 15 LYS HA 6.500 . 6.500 4.153 3.943 4.318 . 0 0 "[ . 1]" 1
98 1 14 HIS QB 1 16 LYS H 6.500 . 6.500 4.463 4.391 4.654 . 0 0 "[ . 1]" 1
99 1 14 HIS QB 1 17 TYR H 6.500 . 6.500 5.258 5.164 5.398 . 0 0 "[ . 1]" 1
100 1 14 HIS QB 1 17 TYR QE 6.500 . 6.500 4.237 3.401 5.150 . 0 0 "[ . 1]" 1
101 1 14 HIS HB2 1 15 LYS H 6.500 . 6.500 3.913 3.795 4.090 . 0 0 "[ . 1]" 1
102 1 14 HIS HB3 1 15 LYS H 6.500 . 6.500 2.613 2.454 2.920 . 0 0 "[ . 1]" 1
103 1 14 HIS HD2 1 15 LYS H 6.500 . 6.500 4.762 4.241 5.207 . 0 0 "[ . 1]" 1
104 1 14 HIS HD2 1 15 LYS QG 6.500 . 6.500 6.261 5.741 6.570 0.070 6 0 "[ . 1]" 1
105 1 14 HIS HD2 1 17 TYR H 6.500 . 6.500 4.268 3.814 4.842 . 0 0 "[ . 1]" 1
106 1 14 HIS HD2 1 17 TYR QB 6.500 . 6.500 5.305 4.527 6.096 . 0 0 "[ . 1]" 1
107 1 14 HIS HD2 1 18 GLY H 6.500 . 6.500 3.760 2.823 4.593 . 0 0 "[ . 1]" 1
108 1 14 HIS HD2 1 18 GLY HA2 6.500 . 6.500 4.798 3.698 5.520 . 0 0 "[ . 1]" 1
109 1 14 HIS HD2 1 18 GLY QA 6.500 . 6.500 3.373 2.098 4.779 . 0 0 "[ . 1]" 1
110 1 14 HIS HD2 1 18 GLY HA3 6.500 . 6.500 3.483 2.110 5.235 . 0 0 "[ . 1]" 1
111 1 15 LYS H 1 16 LYS H 6.500 . 6.500 2.701 2.635 2.730 . 0 0 "[ . 1]" 1
112 1 15 LYS HA 1 18 GLY H 6.500 . 6.500 3.205 2.797 3.534 . 0 0 "[ . 1]" 1
113 1 15 LYS QG 1 16 LYS H 5.500 . 5.500 2.904 2.580 3.165 . 0 0 "[ . 1]" 1
114 1 15 LYS QG 1 16 LYS HA 6.500 . 6.500 3.529 3.320 3.928 . 0 0 "[ . 1]" 1
115 1 15 LYS HG2 1 16 LYS HA 6.500 . 6.500 4.955 4.759 5.188 . 0 0 "[ . 1]" 1
116 1 15 LYS HG3 1 16 LYS HA 6.500 . 6.500 3.615 3.388 4.067 . 0 0 "[ . 1]" 1
117 1 16 LYS HA 1 17 TYR H 6.500 . 6.500 3.514 3.472 3.561 . 0 0 "[ . 1]" 1
118 1 16 LYS HA 1 17 TYR QD 6.500 . 6.500 4.950 4.371 5.223 . 0 0 "[ . 1]" 1
119 1 16 LYS HA 1 17 TYR QE 6.500 . 6.500 6.347 5.890 6.552 0.052 3 0 "[ . 1]" 1
120 1 16 LYS QB 1 17 TYR H 6.500 . 6.500 2.764 2.583 2.948 . 0 0 "[ . 1]" 1
121 1 16 LYS QB 1 17 TYR QB 6.500 . 6.500 3.815 3.215 4.068 . 0 0 "[ . 1]" 1
122 1 16 LYS QB 1 17 TYR QD 6.500 . 6.500 2.531 1.828 2.785 . 0 0 "[ . 1]" 1
123 1 16 LYS HB2 1 17 TYR QD 6.500 . 6.500 4.211 3.200 4.493 . 0 0 "[ . 1]" 1
124 1 16 LYS HB2 1 17 TYR QE 6.500 . 6.500 5.049 4.319 5.603 . 0 0 "[ . 1]" 1
125 1 16 LYS HB3 1 17 TYR H 6.500 . 6.500 2.822 2.619 3.018 . 0 0 "[ . 1]" 1
126 1 16 LYS HB3 1 17 TYR QE 6.500 . 6.500 3.718 3.083 4.043 . 0 0 "[ . 1]" 1
127 1 17 TYR H 1 17 TYR QE 6.500 . 6.500 4.098 3.936 4.233 . 0 0 "[ . 1]" 1
128 1 17 TYR H 1 18 GLY H 6.500 . 6.500 2.039 1.745 2.331 . 0 0 "[ . 1]" 1
129 1 17 TYR HA 1 18 GLY H 6.500 . 6.500 3.265 3.089 3.487 . 0 0 "[ . 1]" 1
130 1 17 TYR HB2 1 18 GLY H 6.500 . 6.500 4.197 3.814 4.413 . 0 0 "[ . 1]" 1
131 1 17 TYR HB2 1 18 GLY HA2 6.500 . 6.500 5.090 4.652 5.656 . 0 0 "[ . 1]" 1
132 1 17 TYR HB2 1 18 GLY HA3 6.500 . 6.500 4.779 4.242 5.324 . 0 0 "[ . 1]" 1
133 1 17 TYR HB3 1 18 GLY H 6.500 . 6.500 4.471 4.315 4.657 . 0 0 "[ . 1]" 1
134 1 17 TYR HB3 1 18 GLY HA2 6.500 . 6.500 6.086 5.733 6.503 0.003 8 0 "[ . 1]" 1
135 1 17 TYR HB3 1 18 GLY HA3 6.500 . 6.500 5.849 5.631 6.074 . 0 0 "[ . 1]" 1
136 1 17 TYR QD 1 18 GLY H 6.500 . 6.500 3.723 2.959 4.158 . 0 0 "[ . 1]" 1
137 1 17 TYR QD 1 18 GLY QA 6.500 . 6.500 3.559 2.918 4.557 . 0 0 "[ . 1]" 1
138 1 17 TYR QD 1 18 GLY HA3 6.500 . 6.500 3.767 3.002 4.857 . 0 0 "[ . 1]" 1
139 1 17 TYR QE 1 18 GLY H 6.500 . 6.500 4.934 4.245 5.544 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 2:13:37 PM GMT (wattos1)