NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574764 |
2lzp   |
18768 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lzp
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 157
_Distance_constraint_stats_list.Viol_count 337
_Distance_constraint_stats_list.Viol_total 1490.083
_Distance_constraint_stats_list.Viol_max 0.467
_Distance_constraint_stats_list.Viol_rms 0.0350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.1134
_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 ASP 0.062 0.062 2 0 "[ . 1 . 2 . 3 . ]"
1 2 THR 0.704 0.158 31 0 "[ . 1 . 2 . 3 . ]"
1 3 GLU 2.105 0.466 1 0 "[ . 1 . 2 . 3 . ]"
1 4 ILE 5.127 0.466 1 0 "[ . 1 . 2 . 3 . ]"
1 5 ILE 9.044 0.430 2 0 "[ . 1 . 2 . 3 . ]"
1 6 GLY 6.814 0.430 2 0 "[ . 1 . 2 . 3 . ]"
1 7 GLY 1.286 0.196 14 0 "[ . 1 . 2 . 3 . ]"
1 8 LEU 6.243 0.467 26 0 "[ . 1 . 2 . 3 . ]"
1 9 THR 6.093 0.467 26 0 "[ . 1 . 2 . 3 . ]"
1 10 ILE 7.577 0.379 30 0 "[ . 1 . 2 . 3 . ]"
1 11 PRO 2.242 0.379 30 0 "[ . 1 . 2 . 3 . ]"
1 12 PRO 4.009 0.383 5 0 "[ . 1 . 2 . 3 . ]"
1 13 VAL 5.768 0.383 5 0 "[ . 1 . 2 . 3 . ]"
1 14 VAL 0.127 0.106 3 0 "[ . 1 . 2 . 3 . ]"
1 15 ALA 0.055 0.055 3 0 "[ . 1 . 2 . 3 . ]"
1 16 LEU 1.839 0.227 5 0 "[ . 1 . 2 . 3 . ]"
1 17 VAL 0.474 0.170 4 0 "[ . 1 . 2 . 3 . ]"
1 18 VAL 0.133 0.055 3 0 "[ . 1 . 2 . 3 . ]"
1 19 MET 0.110 0.046 11 0 "[ . 1 . 2 . 3 . ]"
1 20 SER 0.697 0.218 21 0 "[ . 1 . 2 . 3 . ]"
1 21 ARG 0.567 0.218 21 0 "[ . 1 . 2 . 3 . ]"
1 22 PHE 0.095 0.029 36 0 "[ . 1 . 2 . 3 . ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 24 PHE 2.444 0.257 2 0 "[ . 1 . 2 . 3 . ]"
1 25 PHE 2.834 0.257 2 0 "[ . 1 . 2 . 3 . ]"
1 26 ALA 0.300 0.128 27 0 "[ . 1 . 2 . 3 . ]"
1 27 HIS 0.026 0.026 11 0 "[ . 1 . 2 . 3 . ]"
1 28 LEU 2.668 0.257 30 0 "[ . 1 . 2 . 3 . ]"
1 29 LEU 4.222 0.306 25 0 "[ . 1 . 2 . 3 . ]"
1 30 PRO 2.248 0.306 25 0 "[ . 1 . 2 . 3 . ]"
1 31 ARG 0.502 0.108 7 0 "[ . 1 . 2 . 3 . ]"
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 ASP HA 1 2 THR H 2.800 . 3.100 2.394 2.209 3.162 0.062 2 0 "[ . 1 . 2 . 3 . ]" 1
2 1 2 THR H 1 3 GLU H 5.000 . 5.500 4.077 2.664 4.679 . 0 0 "[ . 1 . 2 . 3 . ]" 1
3 1 2 THR HA 1 3 GLU H 2.800 . 3.100 2.408 2.208 3.142 0.042 26 0 "[ . 1 . 2 . 3 . ]" 1
4 1 2 THR HA 1 4 ILE H 5.000 . 5.500 4.797 3.565 5.658 0.158 31 0 "[ . 1 . 2 . 3 . ]" 1
5 1 2 THR HB 1 3 GLU H 5.000 . 5.500 4.047 2.711 4.569 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 2 THR MG 1 3 GLU H 5.000 . 6.500 3.496 1.908 4.392 . 0 0 "[ . 1 . 2 . 3 . ]" 1
7 1 3 GLU H 1 4 ILE H 5.000 . 5.500 3.451 2.334 4.458 . 0 0 "[ . 1 . 2 . 3 . ]" 1
8 1 3 GLU HA 1 4 ILE H 2.800 . 3.100 2.639 2.200 3.566 0.466 1 0 "[ . 1 . 2 . 3 . ]" 1
9 1 3 GLU HB3 1 4 ILE H 5.000 . 5.500 4.042 1.835 4.676 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 4 ILE H 1 5 ILE H 3.900 . 4.300 3.138 2.021 4.506 0.206 25 0 "[ . 1 . 2 . 3 . ]" 1
11 1 4 ILE HB 1 5 ILE H 3.900 . 4.300 3.577 1.903 4.493 0.193 39 0 "[ . 1 . 2 . 3 . ]" 1
12 1 5 ILE H 1 6 GLY H 3.900 . 4.300 3.716 2.216 4.653 0.353 24 0 "[ . 1 . 2 . 3 . ]" 1
13 1 5 ILE HA 1 6 GLY H 2.800 . 3.100 2.572 2.186 3.530 0.430 2 0 "[ . 1 . 2 . 3 . ]" 1
14 1 5 ILE HB 1 6 GLY H 3.900 . 4.300 4.013 1.878 4.643 0.343 34 0 "[ . 1 . 2 . 3 . ]" 1
15 1 6 GLY H 1 7 GLY H 3.900 . 4.300 3.434 2.341 4.387 0.087 38 0 "[ . 1 . 2 . 3 . ]" 1
16 1 6 GLY HA2 1 7 GLY H 3.900 . 4.300 2.980 2.198 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 7 GLY H 1 8 LEU H 2.800 . 3.100 2.840 2.248 3.296 0.196 14 0 "[ . 1 . 2 . 3 . ]" 1
18 1 7 GLY QA 1 8 LEU H 2.800 . 4.100 2.531 2.231 2.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 7 GLY QA 1 9 THR H 5.000 . 6.500 3.904 3.044 5.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 8 LEU H 1 9 THR H 2.800 . 3.100 2.757 2.097 3.323 0.223 5 0 "[ . 1 . 2 . 3 . ]" 1
21 1 8 LEU H 1 10 ILE H 5.000 . 5.500 5.118 3.091 5.806 0.306 34 0 "[ . 1 . 2 . 3 . ]" 1
22 1 8 LEU HA 1 9 THR H 2.800 . 3.100 2.939 2.453 3.567 0.467 26 0 "[ . 1 . 2 . 3 . ]" 1
23 1 8 LEU QB 1 9 THR H 3.900 . 5.300 3.718 1.900 4.080 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 9 THR H 1 10 ILE H 3.900 . 4.300 3.294 2.074 4.411 0.111 39 0 "[ . 1 . 2 . 3 . ]" 1
25 1 9 THR HA 1 10 ILE H 2.800 . 3.100 2.701 2.203 3.476 0.376 16 0 "[ . 1 . 2 . 3 . ]" 1
26 1 9 THR HB 1 10 ILE H 3.900 . 4.300 4.176 1.931 4.489 0.189 14 0 "[ . 1 . 2 . 3 . ]" 1
27 1 10 ILE H 1 11 PRO HD3 5.000 . 5.500 4.692 3.767 5.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 10 ILE HA 1 11 PRO HD2 2.800 . 3.100 2.417 2.124 2.801 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 10 ILE HA 1 11 PRO HD3 2.800 . 3.100 2.168 1.980 2.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1
30 1 10 ILE HB 1 11 PRO HD2 3.900 . 4.300 2.946 1.876 4.217 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 10 ILE HB 1 11 PRO HD3 3.900 . 4.300 3.936 2.894 4.679 0.379 30 0 "[ . 1 . 2 . 3 . ]" 1
32 1 11 PRO HB2 1 12 PRO HD2 5.000 . 5.500 3.212 1.898 4.247 . 0 0 "[ . 1 . 2 . 3 . ]" 1
33 1 11 PRO HB3 1 12 PRO HD2 5.000 . 5.500 3.541 2.732 4.743 . 0 0 "[ . 1 . 2 . 3 . ]" 1
34 1 12 PRO HA 1 13 VAL H 3.900 . 4.300 3.350 2.530 3.605 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 12 PRO HA 1 14 VAL H 5.000 . 5.500 4.297 3.698 4.828 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 12 PRO HA 1 15 ALA H 3.900 . 4.300 3.551 3.266 4.030 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 12 PRO HA 1 15 ALA MB 2.800 . 4.100 2.883 2.290 3.394 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 12 PRO HB2 1 13 VAL H 5.000 . 5.500 3.567 2.494 4.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1
39 1 12 PRO HB3 1 13 VAL H 3.900 . 4.300 4.284 3.716 4.683 0.383 5 0 "[ . 1 . 2 . 3 . ]" 1
40 1 12 PRO HD2 1 13 VAL H 3.900 . 4.300 2.976 2.407 4.463 0.163 18 0 "[ . 1 . 2 . 3 . ]" 1
41 1 13 VAL H 1 14 VAL H 2.800 . 3.100 2.692 2.128 2.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1
42 1 13 VAL H 1 15 ALA H 5.000 . 5.500 4.174 3.456 4.512 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 13 VAL HA 1 14 VAL H 3.900 . 4.300 3.580 3.552 3.606 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 13 VAL HA 1 15 ALA H 5.000 . 5.500 4.491 4.162 4.825 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 13 VAL HA 1 16 LEU H 3.900 . 4.300 3.511 3.180 3.875 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 13 VAL HA 1 16 LEU HB2 3.900 . 4.300 3.122 2.125 3.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 13 VAL HA 1 16 LEU HB3 2.800 . 3.100 3.073 2.446 3.327 0.227 5 0 "[ . 1 . 2 . 3 . ]" 1
48 1 13 VAL HA 1 17 VAL H 5.000 . 5.500 4.250 3.744 4.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
49 1 14 VAL H 1 15 ALA H 2.800 . 3.100 2.689 2.503 2.863 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 14 VAL H 1 16 LEU H 5.000 . 5.500 4.131 3.933 4.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1
51 1 14 VAL HA 1 15 ALA H 5.000 . 5.500 3.570 3.543 3.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 14 VAL HA 1 16 LEU H 5.000 . 5.500 4.431 4.270 4.557 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 14 VAL HA 1 17 VAL H 3.900 . 4.300 3.546 3.158 3.717 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 14 VAL HA 1 17 VAL HB 2.800 . 3.100 2.849 2.145 3.206 0.106 3 0 "[ . 1 . 2 . 3 . ]" 1
55 1 14 VAL HB 1 15 ALA H 3.900 . 4.300 3.086 2.401 3.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 14 VAL MG1 1 15 ALA H 5.000 . 6.500 3.061 1.898 3.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 14 VAL MG2 1 15 ALA H 5.000 . 6.500 3.454 1.854 4.151 . 0 0 "[ . 1 . 2 . 3 . ]" 1
58 1 15 ALA H 1 16 LEU H 2.800 . 3.100 2.644 2.468 2.756 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 15 ALA H 1 17 VAL H 5.000 . 5.500 4.187 3.982 4.374 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 15 ALA HA 1 16 LEU H 3.900 . 4.300 3.565 3.551 3.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 15 ALA HA 1 17 VAL H 5.000 . 5.500 4.446 4.057 4.638 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 15 ALA HA 1 18 VAL H 3.900 . 4.300 3.533 3.313 3.860 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 15 ALA HA 1 18 VAL HB 2.800 . 3.100 2.808 2.583 3.155 0.055 3 0 "[ . 1 . 2 . 3 . ]" 1
64 1 15 ALA HA 1 19 MET H 5.000 . 5.500 4.230 3.729 4.508 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 15 ALA MB 1 16 LEU H 2.800 . 4.100 2.509 2.427 2.647 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 16 LEU H 1 17 VAL H 2.800 . 3.100 2.678 2.519 2.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 16 LEU HA 1 17 VAL H 3.900 . 4.300 3.571 3.536 3.587 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 16 LEU HA 1 19 MET H 5.000 . 5.500 3.536 3.305 3.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
69 1 16 LEU HA 1 19 MET HB2 5.000 . 5.500 3.315 2.330 5.122 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 16 LEU HA 1 19 MET HB3 3.900 . 4.300 3.477 2.718 4.346 0.046 11 0 "[ . 1 . 2 . 3 . ]" 1
71 1 16 LEU HB2 1 17 VAL H 3.900 . 4.300 3.608 3.047 3.867 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 16 LEU HB3 1 17 VAL H 3.900 . 4.300 2.627 2.418 3.160 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 17 VAL H 1 18 VAL H 2.800 . 3.100 2.658 2.459 2.772 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 17 VAL H 1 19 MET H 5.000 . 5.500 4.198 3.990 4.464 . 0 0 "[ . 1 . 2 . 3 . ]" 1
75 1 17 VAL HA 1 18 VAL H 3.900 . 4.300 3.560 3.454 3.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
76 1 17 VAL HA 1 20 SER H 3.900 . 4.300 3.704 3.352 4.470 0.170 4 0 "[ . 1 . 2 . 3 . ]" 1
77 1 17 VAL HA 1 20 SER HB3 5.000 . 5.500 3.883 2.491 5.500 0.000 37 0 "[ . 1 . 2 . 3 . ]" 1
78 1 17 VAL HB 1 18 VAL H 3.900 . 4.300 2.701 2.454 3.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 18 VAL H 1 19 MET H 2.800 . 3.100 2.614 2.259 2.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 18 VAL H 1 20 SER H 5.000 . 5.500 4.183 3.821 4.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 18 VAL HA 1 19 MET H 5.000 . 5.500 3.571 3.533 3.598 . 0 0 "[ . 1 . 2 . 3 . ]" 1
82 1 18 VAL HA 1 21 ARG HB2 3.900 . 4.300 3.072 2.151 4.353 0.053 15 0 "[ . 1 . 2 . 3 . ]" 1
83 1 18 VAL HA 1 21 ARG HB3 3.900 . 4.300 3.408 2.325 4.325 0.025 28 0 "[ . 1 . 2 . 3 . ]" 1
84 1 18 VAL HA 1 22 PHE H 5.000 . 5.500 4.426 3.548 5.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 18 VAL HB 1 19 MET H 2.800 . 3.100 2.593 2.396 2.838 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 18 VAL MG1 1 19 MET H 5.000 . 6.500 3.323 2.997 3.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 18 VAL MG2 1 19 MET H 5.000 . 6.500 3.909 3.798 4.025 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 18 VAL MG2 1 21 ARG HE 5.000 . 6.500 4.468 2.910 5.432 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 19 MET H 1 20 SER H 2.800 . 3.100 2.716 2.518 2.969 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 19 MET HA 1 22 PHE H 3.900 . 4.300 3.693 3.352 4.318 0.018 21 0 "[ . 1 . 2 . 3 . ]" 1
91 1 19 MET HA 1 22 PHE QB 3.900 . 5.300 3.047 2.286 4.536 . 0 0 "[ . 1 . 2 . 3 . ]" 1
92 1 19 MET HB2 1 20 SER H 5.000 . 5.500 3.427 2.463 4.013 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 19 MET HB3 1 20 SER H 3.900 . 4.300 2.893 2.293 4.038 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 20 SER H 1 21 ARG H 2.800 . 3.100 2.701 2.338 3.318 0.218 21 0 "[ . 1 . 2 . 3 . ]" 1
95 1 20 SER HA 1 21 ARG H 5.000 . 5.500 3.522 2.787 3.593 . 0 0 "[ . 1 . 2 . 3 . ]" 1
96 1 20 SER HA 1 23 GLY H 5.000 . 5.500 3.686 3.284 4.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 20 SER HB2 1 21 ARG H 5.000 . 5.500 3.399 2.506 4.579 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 20 SER HB3 1 21 ARG H 3.900 . 4.300 3.317 2.439 4.406 0.106 24 0 "[ . 1 . 2 . 3 . ]" 1
99 1 21 ARG H 1 22 PHE H 2.800 . 3.100 2.700 1.993 2.981 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 21 ARG HA 1 22 PHE H 3.900 . 4.300 3.559 3.149 3.608 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 21 ARG HA 1 24 PHE H 3.900 . 4.300 3.549 2.910 4.355 0.055 16 0 "[ . 1 . 2 . 3 . ]" 1
102 1 21 ARG HA 1 24 PHE HB2 3.900 . 4.300 2.677 2.133 3.608 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 21 ARG HA 1 24 PHE HB3 3.900 . 4.300 3.519 2.655 4.377 0.077 18 0 "[ . 1 . 2 . 3 . ]" 1
104 1 21 ARG HB2 1 22 PHE H 3.900 . 4.300 3.439 2.539 4.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 21 ARG HB3 1 22 PHE H 3.900 . 4.300 2.801 2.093 4.147 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 22 PHE HA 1 23 GLY H 5.000 . 5.500 3.582 3.540 3.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 22 PHE HA 1 25 PHE H 5.000 . 5.500 3.657 3.330 4.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 22 PHE HA 1 25 PHE HB2 3.900 . 4.300 3.247 2.302 4.315 0.015 10 0 "[ . 1 . 2 . 3 . ]" 1
109 1 22 PHE HA 1 25 PHE HB3 3.900 . 4.300 3.481 2.739 4.329 0.029 36 0 "[ . 1 . 2 . 3 . ]" 1
110 1 22 PHE QB 1 23 GLY H 3.900 . 5.300 2.499 2.115 3.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
111 1 23 GLY H 1 24 PHE H 2.800 . 3.100 2.647 2.295 2.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 23 GLY HA2 1 24 PHE H 3.900 . 4.300 3.560 3.521 3.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 23 GLY HA2 1 25 PHE H 5.000 . 5.500 4.564 4.142 4.919 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 23 GLY HA2 1 26 ALA H 5.000 . 5.500 3.504 3.239 3.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 23 GLY HA2 1 26 ALA MB 3.900 . 5.300 2.649 2.267 3.169 . 0 0 "[ . 1 . 2 . 3 . ]" 1
116 1 23 GLY HA3 1 24 PHE H 3.900 . 4.300 2.855 2.776 2.976 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 23 GLY HA3 1 25 PHE H 5.000 . 5.500 4.876 4.659 5.219 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 23 GLY HA3 1 26 ALA MB 3.900 . 5.300 4.022 3.656 4.316 . 0 0 "[ . 1 . 2 . 3 . ]" 1
119 1 24 PHE H 1 26 ALA H 5.000 . 5.500 4.120 3.960 4.356 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 24 PHE HA 1 25 PHE H 3.900 . 4.300 3.582 3.544 3.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 24 PHE HA 1 27 HIS H 5.000 . 5.500 3.624 3.305 4.805 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 24 PHE HA 1 27 HIS HB3 5.000 . 5.500 3.967 2.722 5.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1
123 1 24 PHE HB2 1 25 PHE H 2.800 . 3.100 3.058 2.701 3.357 0.257 2 0 "[ . 1 . 2 . 3 . ]" 1
124 1 24 PHE HB3 1 25 PHE H 2.800 . 3.100 2.760 2.210 3.175 0.075 24 0 "[ . 1 . 2 . 3 . ]" 1
125 1 24 PHE QD 1 25 PHE HA 5.000 . 8.900 4.838 3.641 5.675 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 24 PHE QD 1 28 LEU MD1 5.000 . 8.900 2.833 1.883 4.702 . 0 0 "[ . 1 . 2 . 3 . ]" 1
127 1 24 PHE QE 1 28 LEU MD1 3.900 . 7.700 3.576 2.427 5.032 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 24 PHE QE 1 28 LEU MD2 3.900 . 7.700 4.165 2.614 5.498 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 25 PHE H 1 26 ALA H 2.800 . 3.100 2.716 2.274 2.877 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 25 PHE H 1 27 HIS H 5.000 . 5.500 4.253 3.879 4.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 25 PHE HA 1 26 ALA H 3.900 . 4.300 3.560 3.500 3.591 . 0 0 "[ . 1 . 2 . 3 . ]" 1
132 1 25 PHE HA 1 27 HIS H 5.000 . 5.500 4.297 3.572 4.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 25 PHE HA 1 28 LEU H 3.900 . 4.300 3.603 3.087 4.396 0.096 20 0 "[ . 1 . 2 . 3 . ]" 1
134 1 25 PHE HA 1 28 LEU HB2 3.900 . 4.300 2.950 1.974 4.348 0.048 24 0 "[ . 1 . 2 . 3 . ]" 1
135 1 25 PHE HA 1 28 LEU HB3 3.900 . 4.300 3.634 2.018 4.366 0.066 29 0 "[ . 1 . 2 . 3 . ]" 1
136 1 25 PHE HB2 1 26 ALA H 3.900 . 4.300 3.499 2.763 3.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 25 PHE HB3 1 26 ALA H 3.900 . 4.300 2.824 2.456 3.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
138 1 25 PHE QD 1 26 ALA MB 3.900 . 7.700 4.701 3.612 5.627 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 25 PHE QD 1 28 LEU MD1 5.000 . 8.900 5.329 3.233 6.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 26 ALA H 1 27 HIS H 2.800 . 3.100 2.680 2.240 3.126 0.026 11 0 "[ . 1 . 2 . 3 . ]" 1
141 1 26 ALA HA 1 27 HIS H 3.900 . 4.300 3.542 2.949 3.592 . 0 0 "[ . 1 . 2 . 3 . ]" 1
142 1 26 ALA HA 1 29 LEU H 5.000 . 5.500 4.779 3.419 5.628 0.128 27 0 "[ . 1 . 2 . 3 . ]" 1
143 1 26 ALA MB 1 27 HIS H 2.800 . 4.100 2.605 2.317 3.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 28 LEU H 1 29 LEU H 2.800 . 3.100 2.644 2.119 3.357 0.257 30 0 "[ . 1 . 2 . 3 . ]" 1
145 1 28 LEU HA 1 29 LEU H 3.900 . 4.300 3.326 2.701 3.603 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 28 LEU HB2 1 29 LEU H 3.900 . 4.300 3.532 2.370 4.526 0.226 15 0 "[ . 1 . 2 . 3 . ]" 1
147 1 29 LEU H 1 30 PRO HD2 5.000 . 5.500 4.788 3.548 5.127 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 29 LEU H 1 30 PRO HD3 5.000 . 5.500 4.408 2.705 5.051 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 29 LEU HA 1 30 PRO HD2 2.800 . 3.100 2.310 1.997 2.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 29 LEU HA 1 30 PRO HD3 2.800 . 3.100 2.282 1.979 2.700 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 29 LEU HB2 1 30 PRO HD2 3.900 . 4.300 3.884 1.971 4.606 0.306 25 0 "[ . 1 . 2 . 3 . ]" 1
152 1 29 LEU HB2 1 30 PRO HD3 5.000 . 5.500 4.588 3.169 5.007 . 0 0 "[ . 1 . 2 . 3 . ]" 1
153 1 29 LEU HB3 1 30 PRO HD2 5.000 . 5.500 3.685 1.873 4.945 . 0 0 "[ . 1 . 2 . 3 . ]" 1
154 1 29 LEU HB3 1 30 PRO HD3 5.000 . 5.500 4.435 3.203 5.057 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 30 PRO HA 1 31 ARG H 2.800 . 3.100 2.437 2.219 3.174 0.074 2 0 "[ . 1 . 2 . 3 . ]" 1
156 1 30 PRO HB3 1 31 ARG H 5.000 . 5.500 4.211 3.315 4.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1
157 1 30 PRO HD2 1 31 ARG H 5.000 . 5.500 5.067 2.978 5.608 0.108 7 0 "[ . 1 . 2 . 3 . ]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, April 27, 2024 6:51:54 PM GMT (wattos1)