NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388830 |
1nau   |
5673 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nau
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 337
_Distance_constraint_stats_list.Viol_count 201
_Distance_constraint_stats_list.Viol_total 176.714
_Distance_constraint_stats_list.Viol_max 0.180
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0549
_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 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 2 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 4 THR 0.763 0.178 13 0 "[ . 1 . ]"
1 5 THR 0.584 0.178 13 0 "[ . 1 . ]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 7 GLU 0.302 0.077 15 0 "[ . 1 . ]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 9 SER 0.013 0.013 6 0 "[ . 1 . ]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 11 TYR 1.592 0.161 16 0 "[ . 1 . ]"
1 12 LEU 1.745 0.161 16 0 "[ . 1 . ]"
1 13 ASP 1.450 0.180 14 0 "[ . 1 . ]"
1 14 SER 1.012 0.180 14 0 "[ . 1 . ]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 16 ARG 0.265 0.066 6 0 "[ . 1 . ]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 18 GLN 1.160 0.087 14 0 "[ . 1 . ]"
1 19 ASP 0.812 0.097 11 0 "[ . 1 . ]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 21 VAL 2.707 0.097 11 0 "[ . 1 . ]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 23 TRP 5.377 0.103 12 0 "[ . 1 . ]"
1 24 LEU 0.514 0.049 11 0 "[ . 1 . ]"
1 25 MET 1.785 0.077 9 0 "[ . 1 . ]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 27 THR 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 SER HA 1 2 GLN H 6.500 . 6.500 2.922 2.162 3.600 . 0 0 "[ . 1 . ]" 1
2 1 1 SER QB 1 2 GLN H 6.500 . 7.500 2.898 2.325 4.085 . 0 0 "[ . 1 . ]" 1
3 1 2 GLN HA 1 3 GLY H 4.000 . 4.000 2.954 2.229 3.611 . 0 0 "[ . 1 . ]" 1
4 1 3 GLY H 1 4 THR H 5.000 . 5.000 3.572 2.444 4.579 . 0 0 "[ . 1 . ]" 1
5 1 3 GLY QA 1 4 THR H 4.000 . 5.000 2.510 2.180 2.827 . 0 0 "[ . 1 . ]" 1
6 1 4 THR H 1 4 THR HB 4.000 . 4.000 3.338 2.481 3.833 . 0 0 "[ . 1 . ]" 1
7 1 4 THR H 1 5 THR H 5.000 . 5.000 3.605 1.853 4.639 . 0 0 "[ . 1 . ]" 1
8 1 4 THR H 1 7 GLU HA 6.500 . 6.500 5.975 4.919 6.577 0.077 15 0 "[ . 1 . ]" 1
9 1 4 THR H 1 7 GLU QB 6.500 . 7.500 3.667 1.910 5.261 . 0 0 "[ . 1 . ]" 1
10 1 4 THR HA 1 5 THR H 3.300 . 3.300 2.763 2.142 3.478 0.178 13 0 "[ . 1 . ]" 1
11 1 4 THR HA 1 8 TYR QD 6.500 . 8.500 4.599 3.165 6.346 . 0 0 "[ . 1 . ]" 1
12 1 4 THR HB 1 8 TYR QE 6.500 . 8.500 6.418 2.356 7.815 . 0 0 "[ . 1 . ]" 1
13 1 4 THR MG 1 8 TYR QE 6.500 . 9.000 5.721 3.539 6.874 . 0 0 "[ . 1 . ]" 1
14 1 5 THR H 1 5 THR HB 4.000 . 4.000 3.098 2.334 3.990 . 0 0 "[ . 1 . ]" 1
15 1 5 THR H 1 6 SER QB 6.500 . 7.500 4.989 4.193 6.359 . 0 0 "[ . 1 . ]" 1
16 1 5 THR HA 1 6 SER H 4.000 . 4.000 3.565 3.415 3.640 . 0 0 "[ . 1 . ]" 1
17 1 5 THR HA 1 7 GLU H 5.000 . 5.000 4.369 3.888 5.040 0.040 2 0 "[ . 1 . ]" 1
18 1 5 THR HA 1 8 TYR QD 5.000 . 7.000 3.252 2.667 3.859 . 0 0 "[ . 1 . ]" 1
19 1 5 THR HA 1 11 TYR QE 6.500 . 8.500 7.449 6.703 7.824 . 0 0 "[ . 1 . ]" 1
20 1 6 SER H 1 7 GLU H 4.000 . 4.000 2.855 2.508 3.073 . 0 0 "[ . 1 . ]" 1
21 1 6 SER H 1 8 TYR QD 6.500 . 8.500 5.915 5.558 6.333 . 0 0 "[ . 1 . ]" 1
22 1 6 SER HA 1 7 GLU H 5.000 . 5.000 3.564 3.503 3.610 . 0 0 "[ . 1 . ]" 1
23 1 6 SER HA 1 8 TYR QD 6.500 . 8.500 6.373 5.705 7.480 . 0 0 "[ . 1 . ]" 1
24 1 6 SER QB 1 7 GLU H 4.442 . 4.442 3.003 2.585 3.604 . 0 0 "[ . 1 . ]" 1
25 1 6 SER QB 1 8 TYR QD 6.500 . 9.500 6.845 6.409 7.522 . 0 0 "[ . 1 . ]" 1
26 1 6 SER QB 1 9 SER H 6.500 . 7.500 5.377 4.848 5.979 . 0 0 "[ . 1 . ]" 1
27 1 6 SER QB 1 10 LYS H 6.500 . 7.500 6.188 5.288 6.692 . 0 0 "[ . 1 . ]" 1
28 1 7 GLU H 1 7 GLU QB 3.300 . 4.300 2.358 2.178 2.788 . 0 0 "[ . 1 . ]" 1
29 1 7 GLU H 1 8 TYR H 4.000 . 4.000 2.651 2.147 3.488 . 0 0 "[ . 1 . ]" 1
30 1 7 GLU H 1 8 TYR QB 6.500 . 7.500 4.428 3.743 5.245 . 0 0 "[ . 1 . ]" 1
31 1 7 GLU H 1 8 TYR QD 6.500 . 8.500 5.249 4.347 5.876 . 0 0 "[ . 1 . ]" 1
32 1 7 GLU H 1 8 TYR QE 6.500 . 8.500 6.809 5.478 7.880 . 0 0 "[ . 1 . ]" 1
33 1 7 GLU HA 1 8 TYR H 4.000 . 4.000 3.471 2.570 3.648 . 0 0 "[ . 1 . ]" 1
34 1 7 GLU HA 1 8 TYR QD 6.500 . 8.500 6.257 5.754 6.684 . 0 0 "[ . 1 . ]" 1
35 1 7 GLU HA 1 10 LYS H 5.000 . 5.000 4.217 3.657 4.857 . 0 0 "[ . 1 . ]" 1
36 1 7 GLU HA 1 11 TYR QD 6.500 . 8.500 5.363 4.355 6.111 . 0 0 "[ . 1 . ]" 1
37 1 7 GLU QB 1 8 TYR H 4.000 . 5.000 2.705 2.159 4.072 . 0 0 "[ . 1 . ]" 1
38 1 7 GLU QB 1 8 TYR QD 5.000 . 8.000 4.785 3.492 5.765 . 0 0 "[ . 1 . ]" 1
39 1 7 GLU QB 1 8 TYR QE 6.500 . 9.500 6.573 5.165 7.651 . 0 0 "[ . 1 . ]" 1
40 1 7 GLU QB 1 10 LYS H 6.500 . 7.500 5.412 4.949 6.538 . 0 0 "[ . 1 . ]" 1
41 1 7 GLU QB 1 11 TYR QE 6.500 . 9.500 4.022 2.407 5.542 . 0 0 "[ . 1 . ]" 1
42 1 7 GLU QG 1 8 TYR QD 6.500 . 9.500 5.252 3.980 5.972 . 0 0 "[ . 1 . ]" 1
43 1 7 GLU QG 1 8 TYR QE 6.500 . 9.500 6.990 5.940 7.575 . 0 0 "[ . 1 . ]" 1
44 1 7 GLU QG 1 11 TYR QD 6.500 . 9.500 5.052 3.959 7.200 . 0 0 "[ . 1 . ]" 1
45 1 8 TYR H 1 8 TYR QB 3.183 . 3.183 2.427 2.103 2.797 . 0 0 "[ . 1 . ]" 1
46 1 8 TYR H 1 8 TYR QD 4.000 . 6.000 3.525 2.451 4.528 . 0 0 "[ . 1 . ]" 1
47 1 8 TYR H 1 8 TYR QE 5.000 . 7.000 5.408 4.429 6.557 . 0 0 "[ . 1 . ]" 1
48 1 8 TYR HA 1 10 LYS H 6.500 . 6.500 3.907 3.665 4.221 . 0 0 "[ . 1 . ]" 1
49 1 8 TYR HA 1 11 TYR QD 5.000 . 7.000 3.600 3.218 4.477 . 0 0 "[ . 1 . ]" 1
50 1 8 TYR HA 1 11 TYR QE 6.500 . 8.500 2.985 2.765 3.113 . 0 0 "[ . 1 . ]" 1
51 1 8 TYR QD 1 9 SER QB 8.455 . 8.455 4.448 3.477 5.048 . 0 0 "[ . 1 . ]" 1
52 1 8 TYR QD 1 11 TYR H 6.500 . 8.500 5.352 4.732 5.949 . 0 0 "[ . 1 . ]" 1
53 1 8 TYR QD 1 12 LEU H 5.000 . 7.000 5.353 4.537 6.201 . 0 0 "[ . 1 . ]" 1
54 1 8 TYR QD 1 12 LEU QB 8.455 . 8.455 3.154 2.387 3.725 . 0 0 "[ . 1 . ]" 1
55 1 8 TYR QD 1 12 LEU QD 8.857 . 8.857 2.997 2.231 3.954 . 0 0 "[ . 1 . ]" 1
56 1 8 TYR QD 1 13 ASP QB 6.500 . 9.500 7.175 6.710 7.754 . 0 0 "[ . 1 . ]" 1
57 1 8 TYR QE 1 9 SER QB 8.455 . 8.455 5.317 4.265 6.646 . 0 0 "[ . 1 . ]" 1
58 1 8 TYR QE 1 12 LEU QD 8.857 . 8.857 2.682 2.158 3.924 . 0 0 "[ . 1 . ]" 1
59 1 9 SER H 1 10 LYS H 3.300 . 3.300 2.909 2.836 2.972 . 0 0 "[ . 1 . ]" 1
60 1 9 SER H 1 10 LYS QB 5.000 . 6.000 5.075 4.944 5.312 . 0 0 "[ . 1 . ]" 1
61 1 9 SER H 1 10 LYS QG 5.731 . 5.731 4.197 3.827 4.861 . 0 0 "[ . 1 . ]" 1
62 1 9 SER H 1 11 TYR H 5.000 . 5.000 4.750 4.460 5.013 0.013 6 0 "[ . 1 . ]" 1
63 1 9 SER H 1 12 LEU QB 5.000 . 6.000 4.184 3.904 4.350 . 0 0 "[ . 1 . ]" 1
64 1 9 SER H 1 12 LEU QD 6.500 . 8.900 4.647 4.196 5.319 . 0 0 "[ . 1 . ]" 1
65 1 9 SER QB 1 10 LYS H 4.922 . 4.922 3.048 2.767 3.788 . 0 0 "[ . 1 . ]" 1
66 1 9 SER QB 1 11 TYR H 6.440 . 6.440 5.163 4.624 5.581 . 0 0 "[ . 1 . ]" 1
67 1 10 LYS H 1 10 LYS QB 3.560 . 3.560 2.528 2.451 2.714 . 0 0 "[ . 1 . ]" 1
68 1 10 LYS H 1 10 LYS QE 5.000 . 6.000 2.729 2.433 2.923 . 0 0 "[ . 1 . ]" 1
69 1 10 LYS H 1 10 LYS QG 3.902 . 3.902 2.143 1.868 2.674 . 0 0 "[ . 1 . ]" 1
70 1 10 LYS H 1 11 TYR H 3.300 . 3.300 2.705 2.543 2.861 . 0 0 "[ . 1 . ]" 1
71 1 10 LYS H 1 11 TYR HA 6.500 . 6.500 5.313 5.182 5.468 . 0 0 "[ . 1 . ]" 1
72 1 10 LYS H 1 12 LEU QB 6.500 . 7.500 4.191 3.956 4.349 . 0 0 "[ . 1 . ]" 1
73 1 10 LYS H 1 12 LEU QD 6.500 . 8.900 5.311 4.910 5.722 . 0 0 "[ . 1 . ]" 1
74 1 10 LYS H 1 16 ARG QD 5.000 . 6.000 5.181 5.107 5.340 . 0 0 "[ . 1 . ]" 1
75 1 10 LYS HA 1 11 TYR H 4.000 . 4.000 3.609 3.488 3.647 . 0 0 "[ . 1 . ]" 1
76 1 10 LYS HA 1 12 LEU QB 5.000 . 6.000 4.799 4.416 5.499 . 0 0 "[ . 1 . ]" 1
77 1 10 LYS QB 1 11 TYR H 3.902 . 3.902 2.424 2.232 2.956 . 0 0 "[ . 1 . ]" 1
78 1 10 LYS QB 1 11 TYR QB 4.991 . 4.991 3.692 3.473 3.785 . 0 0 "[ . 1 . ]" 1
79 1 10 LYS QB 1 11 TYR QD 7.736 . 7.736 2.901 2.434 3.532 . 0 0 "[ . 1 . ]" 1
80 1 10 LYS QB 1 11 TYR QE 8.454 . 8.454 4.332 3.854 5.012 . 0 0 "[ . 1 . ]" 1
81 1 10 LYS QB 1 16 ARG QH 6.500 . 9.900 3.936 3.087 5.675 . 0 0 "[ . 1 . ]" 1
82 1 10 LYS QD 1 11 TYR H 6.500 . 7.500 5.116 4.044 5.315 . 0 0 "[ . 1 . ]" 1
83 1 10 LYS QD 1 11 TYR QD 6.500 . 9.500 5.865 4.412 6.435 . 0 0 "[ . 1 . ]" 1
84 1 10 LYS QD 1 11 TYR QE 6.500 . 9.500 6.730 4.287 7.536 . 0 0 "[ . 1 . ]" 1
85 1 10 LYS QE 1 12 LEU HG 6.500 . 7.500 6.704 6.586 6.795 . 0 0 "[ . 1 . ]" 1
86 1 10 LYS QG 1 11 TYR H 4.441 . 4.441 3.902 3.725 4.164 . 0 0 "[ . 1 . ]" 1
87 1 10 LYS QG 1 11 TYR QD 5.000 . 8.000 4.395 3.757 5.007 . 0 0 "[ . 1 . ]" 1
88 1 10 LYS QG 1 11 TYR QE 6.500 . 9.500 5.039 4.224 5.799 . 0 0 "[ . 1 . ]" 1
89 1 11 TYR H 1 11 TYR QB 3.183 . 3.183 2.840 2.649 3.000 . 0 0 "[ . 1 . ]" 1
90 1 11 TYR H 1 11 TYR QD 5.000 . 7.000 2.740 2.449 2.983 . 0 0 "[ . 1 . ]" 1
91 1 11 TYR H 1 12 LEU H 3.300 . 3.300 2.799 1.918 3.312 0.012 12 0 "[ . 1 . ]" 1
92 1 11 TYR H 1 12 LEU HA 5.000 . 5.000 5.040 4.468 5.161 0.161 16 0 "[ . 1 . ]" 1
93 1 11 TYR H 1 12 LEU QB 4.000 . 5.000 3.846 3.345 4.041 . 0 0 "[ . 1 . ]" 1
94 1 11 TYR H 1 12 LEU QD 6.500 . 8.900 5.230 4.874 5.373 . 0 0 "[ . 1 . ]" 1
95 1 11 TYR HA 1 11 TYR QE 5.000 . 7.000 5.738 5.685 5.770 . 0 0 "[ . 1 . ]" 1
96 1 11 TYR HA 1 12 LEU H 4.000 . 4.000 2.902 2.376 3.512 . 0 0 "[ . 1 . ]" 1
97 1 11 TYR HA 1 13 ASP QB 5.000 . 6.000 4.454 4.045 5.016 . 0 0 "[ . 1 . ]" 1
98 1 11 TYR HA 1 16 ARG QB 5.000 . 6.000 3.398 2.037 4.294 . 0 0 "[ . 1 . ]" 1
99 1 11 TYR HA 1 16 ARG QG 5.000 . 6.000 2.876 2.141 4.223 . 0 0 "[ . 1 . ]" 1
100 1 11 TYR HA 1 17 ALA H 5.000 . 5.000 3.475 2.911 4.418 . 0 0 "[ . 1 . ]" 1
101 1 11 TYR HA 1 17 ALA MB 4.000 . 4.500 3.014 2.583 3.523 . 0 0 "[ . 1 . ]" 1
102 1 11 TYR QB 1 12 LEU HA 5.000 . 6.000 4.702 4.483 4.792 . 0 0 "[ . 1 . ]" 1
103 1 11 TYR QB 1 12 LEU QB 4.000 . 6.000 4.808 4.207 4.958 . 0 0 "[ . 1 . ]" 1
104 1 11 TYR QB 1 16 ARG QB 4.000 . 6.000 3.756 2.172 4.843 . 0 0 "[ . 1 . ]" 1
105 1 11 TYR QB 1 16 ARG QG 3.300 . 5.300 3.753 2.969 4.030 . 0 0 "[ . 1 . ]" 1
106 1 11 TYR QD 1 12 LEU HA 6.500 . 8.500 4.308 3.109 5.078 . 0 0 "[ . 1 . ]" 1
107 1 11 TYR QD 1 12 LEU QB 5.000 . 8.000 4.107 3.121 4.693 . 0 0 "[ . 1 . ]" 1
108 1 11 TYR QD 1 12 LEU QD 6.500 . 10.900 4.758 2.960 5.422 . 0 0 "[ . 1 . ]" 1
109 1 11 TYR QD 1 13 ASP QB 5.000 . 8.000 6.487 6.148 6.688 . 0 0 "[ . 1 . ]" 1
110 1 11 TYR QE 1 12 LEU QD 6.500 . 10.900 5.357 3.280 6.554 . 0 0 "[ . 1 . ]" 1
111 1 12 LEU H 1 12 LEU QB 3.903 . 3.903 2.335 2.053 2.672 . 0 0 "[ . 1 . ]" 1
112 1 12 LEU HA 1 13 ASP H 4.000 . 4.000 3.458 2.490 3.610 . 0 0 "[ . 1 . ]" 1
113 1 12 LEU HA 1 17 ALA MB 6.500 . 7.000 3.069 2.183 5.151 . 0 0 "[ . 1 . ]" 1
114 1 12 LEU HA 1 18 GLN HE21 6.500 . 6.500 6.231 4.778 6.554 0.054 2 0 "[ . 1 . ]" 1
115 1 12 LEU HA 1 18 GLN HE22 6.500 . 6.500 5.702 3.597 6.516 0.016 8 0 "[ . 1 . ]" 1
116 1 13 ASP H 1 14 SER H 5.000 . 5.000 3.911 3.154 4.636 . 0 0 "[ . 1 . ]" 1
117 1 13 ASP H 1 16 ARG HE 4.000 . 4.000 3.658 2.514 4.066 0.066 6 0 "[ . 1 . ]" 1
118 1 13 ASP HA 1 14 SER H 3.300 . 3.300 3.153 2.195 3.480 0.180 14 0 "[ . 1 . ]" 1
119 1 13 ASP HA 1 18 GLN HE21 6.500 . 6.500 6.079 5.699 6.587 0.087 14 0 "[ . 1 . ]" 1
120 1 13 ASP HA 1 18 GLN HE22 6.500 . 6.500 6.286 4.631 6.564 0.064 15 0 "[ . 1 . ]" 1
121 1 13 ASP QB 1 14 SER H 4.923 . 4.923 2.367 1.969 3.692 . 0 0 "[ . 1 . ]" 1
122 1 13 ASP QB 1 15 ARG H 6.441 . 6.441 4.777 3.729 5.179 . 0 0 "[ . 1 . ]" 1
123 1 13 ASP QB 1 16 ARG H 5.732 . 5.732 4.417 3.673 4.809 . 0 0 "[ . 1 . ]" 1
124 1 14 SER H 1 15 ARG H 6.500 . 6.500 3.407 2.397 3.968 . 0 0 "[ . 1 . ]" 1
125 1 14 SER H 1 16 ARG H 5.000 . 5.000 4.181 3.660 5.052 0.052 3 0 "[ . 1 . ]" 1
126 1 14 SER H 1 16 ARG QB 6.500 . 7.500 5.308 4.182 6.617 . 0 0 "[ . 1 . ]" 1
127 1 14 SER H 1 17 ALA MB 6.500 . 7.000 4.152 2.946 5.692 . 0 0 "[ . 1 . ]" 1
128 1 14 SER H 1 18 GLN H 6.500 . 6.500 5.659 4.767 6.475 . 0 0 "[ . 1 . ]" 1
129 1 14 SER H 1 18 GLN QG 6.500 . 7.500 5.772 4.969 6.576 . 0 0 "[ . 1 . ]" 1
130 1 14 SER QB 1 15 ARG H 5.325 . 5.325 2.419 1.888 3.875 . 0 0 "[ . 1 . ]" 1
131 1 14 SER QB 1 16 ARG H 5.000 . 6.000 4.605 3.348 5.507 . 0 0 "[ . 1 . ]" 1
132 1 14 SER QB 1 17 ALA H 6.440 . 6.440 5.184 4.611 5.803 . 0 0 "[ . 1 . ]" 1
133 1 15 ARG H 1 15 ARG QB 3.300 . 4.300 2.398 2.093 3.317 . 0 0 "[ . 1 . ]" 1
134 1 15 ARG H 1 15 ARG QD 5.000 . 6.000 4.352 2.769 4.796 . 0 0 "[ . 1 . ]" 1
135 1 15 ARG H 1 15 ARG QG 4.000 . 5.000 3.947 2.717 4.450 . 0 0 "[ . 1 . ]" 1
136 1 15 ARG H 1 16 ARG H 3.300 . 3.300 2.799 1.971 3.170 . 0 0 "[ . 1 . ]" 1
137 1 15 ARG H 1 16 ARG QG 5.000 . 6.000 4.165 3.204 5.094 . 0 0 "[ . 1 . ]" 1
138 1 15 ARG H 1 17 ALA H 6.500 . 6.500 4.049 2.685 4.671 . 0 0 "[ . 1 . ]" 1
139 1 15 ARG H 1 17 ALA MB 6.500 . 7.000 4.737 3.145 5.717 . 0 0 "[ . 1 . ]" 1
140 1 15 ARG H 1 18 GLN H 6.500 . 6.500 4.536 2.488 5.175 . 0 0 "[ . 1 . ]" 1
141 1 15 ARG H 1 18 GLN QB 6.500 . 7.500 5.064 3.369 5.693 . 0 0 "[ . 1 . ]" 1
142 1 15 ARG HA 1 15 ARG QG 3.300 . 4.300 2.666 2.426 3.532 . 0 0 "[ . 1 . ]" 1
143 1 15 ARG HA 1 16 ARG H 6.500 . 6.500 3.549 2.948 3.613 . 0 0 "[ . 1 . ]" 1
144 1 15 ARG HA 1 18 GLN H 5.000 . 5.000 3.656 2.652 4.454 . 0 0 "[ . 1 . ]" 1
145 1 15 ARG HA 1 18 GLN HE21 6.500 . 6.500 4.196 2.215 4.837 . 0 0 "[ . 1 . ]" 1
146 1 15 ARG HA 1 18 GLN HE22 6.500 . 6.500 5.787 3.170 6.400 . 0 0 "[ . 1 . ]" 1
147 1 15 ARG HA 1 19 ASP H 5.000 . 5.000 4.096 3.556 4.564 . 0 0 "[ . 1 . ]" 1
148 1 15 ARG QB 1 19 ASP H 6.500 . 7.500 5.167 3.049 5.515 . 0 0 "[ . 1 . ]" 1
149 1 15 ARG QD 1 17 ALA H 6.500 . 7.500 5.080 4.561 5.905 . 0 0 "[ . 1 . ]" 1
150 1 15 ARG QD 1 18 GLN HE21 6.500 . 7.500 6.323 5.540 6.527 . 0 0 "[ . 1 . ]" 1
151 1 15 ARG QD 1 19 ASP H 6.500 . 7.500 3.730 3.365 4.358 . 0 0 "[ . 1 . ]" 1
152 1 15 ARG QD 1 20 PHE QD 6.500 . 9.500 7.177 5.631 7.714 . 0 0 "[ . 1 . ]" 1
153 1 15 ARG QG 1 18 GLN HE21 6.500 . 7.500 6.313 4.836 6.710 . 0 0 "[ . 1 . ]" 1
154 1 15 ARG QG 1 19 ASP H 5.000 . 6.000 4.827 4.375 5.259 . 0 0 "[ . 1 . ]" 1
155 1 16 ARG H 1 16 ARG QD 4.439 . 4.439 3.801 3.360 4.091 . 0 0 "[ . 1 . ]" 1
156 1 16 ARG H 1 17 ALA H 3.300 . 3.300 2.819 2.450 3.174 . 0 0 "[ . 1 . ]" 1
157 1 16 ARG H 1 19 ASP QB 5.000 . 6.000 4.673 4.405 5.037 . 0 0 "[ . 1 . ]" 1
158 1 16 ARG HA 1 16 ARG QD 4.920 . 4.920 4.253 3.973 4.424 . 0 0 "[ . 1 . ]" 1
159 1 16 ARG HA 1 16 ARG QG 3.300 . 4.300 3.112 2.254 3.394 . 0 0 "[ . 1 . ]" 1
160 1 16 ARG HA 1 19 ASP H 6.500 . 6.500 3.561 3.270 3.981 . 0 0 "[ . 1 . ]" 1
161 1 16 ARG HA 1 19 ASP QB 3.561 . 3.561 2.582 2.290 3.110 . 0 0 "[ . 1 . ]" 1
162 1 16 ARG QB 1 17 ALA H 4.000 . 5.000 3.271 2.220 3.771 . 0 0 "[ . 1 . ]" 1
163 1 16 ARG QD 1 17 ALA H 5.000 . 6.000 4.480 3.859 5.082 . 0 0 "[ . 1 . ]" 1
164 1 16 ARG HE 1 17 ALA MB 6.500 . 7.000 4.864 4.317 5.756 . 0 0 "[ . 1 . ]" 1
165 1 16 ARG QG 1 17 ALA H 4.000 . 5.000 2.753 1.922 4.232 . 0 0 "[ . 1 . ]" 1
166 1 16 ARG QG 1 18 GLN H 5.000 . 6.000 4.772 4.061 5.468 . 0 0 "[ . 1 . ]" 1
167 1 16 ARG QG 1 19 ASP H 5.000 . 6.000 5.301 5.074 5.426 . 0 0 "[ . 1 . ]" 1
168 1 16 ARG QG 1 19 ASP QB 5.000 . 7.000 4.876 4.051 5.313 . 0 0 "[ . 1 . ]" 1
169 1 16 ARG QG 1 20 PHE H 6.500 . 7.500 5.384 4.986 5.783 . 0 0 "[ . 1 . ]" 1
170 1 16 ARG QG 1 20 PHE QD 6.500 . 9.500 5.358 3.693 6.962 . 0 0 "[ . 1 . ]" 1
171 1 17 ALA H 1 18 GLN H 3.300 . 3.300 2.639 2.541 2.836 . 0 0 "[ . 1 . ]" 1
172 1 17 ALA H 1 18 GLN QG 5.000 . 6.000 4.576 3.985 5.439 . 0 0 "[ . 1 . ]" 1
173 1 17 ALA H 1 19 ASP H 5.000 . 5.000 4.094 3.792 4.311 . 0 0 "[ . 1 . ]" 1
174 1 17 ALA H 1 20 PHE H 6.500 . 6.500 4.655 4.471 4.877 . 0 0 "[ . 1 . ]" 1
175 1 17 ALA H 1 20 PHE QB 5.000 . 6.000 4.822 4.543 5.104 . 0 0 "[ . 1 . ]" 1
176 1 17 ALA H 1 21 VAL QG 6.500 . 8.900 5.730 5.372 5.994 . 0 0 "[ . 1 . ]" 1
177 1 17 ALA HA 1 18 GLN H 5.000 . 5.000 3.591 3.543 3.628 . 0 0 "[ . 1 . ]" 1
178 1 17 ALA HA 1 20 PHE H 4.000 . 4.000 3.528 3.302 3.741 . 0 0 "[ . 1 . ]" 1
179 1 17 ALA HA 1 20 PHE QB 3.300 . 4.300 2.603 2.305 2.781 . 0 0 "[ . 1 . ]" 1
180 1 17 ALA HA 1 20 PHE QD 5.000 . 7.000 3.509 2.375 4.359 . 0 0 "[ . 1 . ]" 1
181 1 17 ALA MB 1 18 GLN H 6.500 . 7.000 2.570 2.283 2.861 . 0 0 "[ . 1 . ]" 1
182 1 17 ALA MB 1 19 ASP H 5.000 . 5.500 4.553 4.407 4.632 . 0 0 "[ . 1 . ]" 1
183 1 18 GLN H 1 18 GLN QG 4.923 . 4.923 2.592 2.052 3.356 . 0 0 "[ . 1 . ]" 1
184 1 18 GLN H 1 19 ASP H 5.000 . 5.000 2.624 2.429 2.757 . 0 0 "[ . 1 . ]" 1
185 1 18 GLN H 1 19 ASP QB 6.441 . 6.441 4.332 4.162 4.448 . 0 0 "[ . 1 . ]" 1
186 1 18 GLN H 1 20 PHE QB 6.500 . 7.500 4.921 4.565 5.176 . 0 0 "[ . 1 . ]" 1
187 1 18 GLN HA 1 19 ASP H 4.000 . 4.000 3.555 3.518 3.580 . 0 0 "[ . 1 . ]" 1
188 1 18 GLN HA 1 20 PHE H 6.500 . 6.500 4.578 4.455 4.673 . 0 0 "[ . 1 . ]" 1
189 1 18 GLN HA 1 21 VAL H 3.300 . 3.300 3.343 3.321 3.382 0.082 8 0 "[ . 1 . ]" 1
190 1 18 GLN QB 1 19 ASP H 5.000 . 6.000 2.593 2.492 2.713 . 0 0 "[ . 1 . ]" 1
191 1 18 GLN QB 1 21 VAL H 6.500 . 7.500 4.756 4.669 4.848 . 0 0 "[ . 1 . ]" 1
192 1 18 GLN HE22 1 21 VAL QG 6.500 . 8.900 4.769 3.945 6.280 . 0 0 "[ . 1 . ]" 1
193 1 18 GLN QG 1 19 ASP H 4.923 . 4.923 4.046 3.664 4.512 . 0 0 "[ . 1 . ]" 1
194 1 19 ASP H 1 19 ASP QB 3.182 . 3.182 2.224 2.200 2.291 . 0 0 "[ . 1 . ]" 1
195 1 19 ASP H 1 20 PHE H 5.000 . 5.000 2.688 2.532 2.780 . 0 0 "[ . 1 . ]" 1
196 1 19 ASP H 1 20 PHE QB 5.000 . 6.000 4.495 4.164 4.802 . 0 0 "[ . 1 . ]" 1
197 1 19 ASP H 1 20 PHE QD 6.500 . 8.500 5.609 4.562 6.369 . 0 0 "[ . 1 . ]" 1
198 1 19 ASP H 1 21 VAL H 4.000 . 4.000 4.051 4.030 4.097 0.097 11 0 "[ . 1 . ]" 1
199 1 19 ASP H 1 21 VAL QG 6.500 . 8.900 4.932 4.266 5.169 . 0 0 "[ . 1 . ]" 1
200 1 19 ASP H 1 23 TRP H 6.500 . 6.500 6.045 5.962 6.172 . 0 0 "[ . 1 . ]" 1
201 1 19 ASP HA 1 22 GLN H 6.500 . 6.500 3.644 3.323 4.268 . 0 0 "[ . 1 . ]" 1
202 1 19 ASP QB 1 20 PHE H 3.561 . 3.561 2.476 2.380 2.600 . 0 0 "[ . 1 . ]" 1
203 1 20 PHE H 1 20 PHE QB 3.300 . 4.300 2.316 2.162 2.536 . 0 0 "[ . 1 . ]" 1
204 1 20 PHE H 1 20 PHE QD 4.000 . 6.000 3.546 2.627 4.183 . 0 0 "[ . 1 . ]" 1
205 1 20 PHE H 1 21 VAL H 5.000 . 5.000 2.816 2.727 2.916 . 0 0 "[ . 1 . ]" 1
206 1 20 PHE H 1 21 VAL HA 6.500 . 6.500 5.379 5.330 5.410 . 0 0 "[ . 1 . ]" 1
207 1 20 PHE H 1 21 VAL QG 6.822 . 6.822 4.385 3.970 4.462 . 0 0 "[ . 1 . ]" 1
208 1 20 PHE H 1 23 TRP H 6.500 . 6.500 4.720 4.653 4.845 . 0 0 "[ . 1 . ]" 1
209 1 20 PHE H 1 23 TRP QB 5.000 . 6.000 4.544 4.424 4.653 . 0 0 "[ . 1 . ]" 1
210 1 20 PHE HA 1 21 VAL H 5.000 . 5.000 3.630 3.598 3.685 . 0 0 "[ . 1 . ]" 1
211 1 20 PHE HA 1 23 TRP H 4.000 . 4.000 3.420 3.324 3.540 . 0 0 "[ . 1 . ]" 1
212 1 20 PHE HA 1 23 TRP QB 3.300 . 4.300 2.381 2.295 2.496 . 0 0 "[ . 1 . ]" 1
213 1 20 PHE HA 1 23 TRP HD1 6.500 . 6.500 5.924 5.787 6.069 . 0 0 "[ . 1 . ]" 1
214 1 20 PHE HA 1 23 TRP HE3 4.000 . 4.000 3.057 2.714 3.277 . 0 0 "[ . 1 . ]" 1
215 1 20 PHE QB 1 21 VAL H 5.000 . 6.000 2.744 2.651 2.903 . 0 0 "[ . 1 . ]" 1
216 1 20 PHE QB 1 21 VAL QG 7.118 . 7.118 3.416 3.207 4.192 . 0 0 "[ . 1 . ]" 1
217 1 20 PHE QB 1 24 LEU QB 5.000 . 7.000 4.452 3.832 4.926 . 0 0 "[ . 1 . ]" 1
218 1 20 PHE QD 1 21 VAL H 5.000 . 7.000 4.056 3.369 4.762 . 0 0 "[ . 1 . ]" 1
219 1 20 PHE QD 1 21 VAL HA 5.000 . 7.000 4.612 3.059 6.023 . 0 0 "[ . 1 . ]" 1
220 1 20 PHE QD 1 21 VAL HB 6.500 . 8.500 5.631 3.377 7.356 . 0 0 "[ . 1 . ]" 1
221 1 20 PHE QD 1 21 VAL QG 8.134 . 8.134 3.900 2.561 5.529 . 0 0 "[ . 1 . ]" 1
222 1 20 PHE QD 1 23 TRP H 6.500 . 8.500 5.318 5.095 5.523 . 0 0 "[ . 1 . ]" 1
223 1 20 PHE QD 1 23 TRP HA 6.500 . 8.500 6.892 6.618 7.150 . 0 0 "[ . 1 . ]" 1
224 1 20 PHE QD 1 23 TRP QB 5.000 . 8.000 4.086 3.660 4.414 . 0 0 "[ . 1 . ]" 1
225 1 20 PHE QD 1 24 LEU H 5.000 . 7.000 5.142 4.590 5.829 . 0 0 "[ . 1 . ]" 1
226 1 20 PHE QD 1 24 LEU QB 7.737 . 7.737 4.651 3.612 5.947 . 0 0 "[ . 1 . ]" 1
227 1 20 PHE QD 1 24 LEU QD 6.500 . 10.900 4.671 3.434 6.678 . 0 0 "[ . 1 . ]" 1
228 1 21 VAL H 1 22 GLN H 5.000 . 5.000 2.691 2.600 2.795 . 0 0 "[ . 1 . ]" 1
229 1 21 VAL H 1 23 TRP H 6.500 . 6.500 3.917 3.843 3.987 . 0 0 "[ . 1 . ]" 1
230 1 21 VAL H 1 23 TRP QB 6.500 . 7.500 4.663 4.537 4.748 . 0 0 "[ . 1 . ]" 1
231 1 21 VAL H 1 24 LEU QD 6.500 . 8.900 5.365 5.165 6.016 . 0 0 "[ . 1 . ]" 1
232 1 21 VAL H 1 25 MET H 6.500 . 6.500 5.989 5.953 6.035 . 0 0 "[ . 1 . ]" 1
233 1 21 VAL HA 1 22 GLN H 5.000 . 5.000 3.586 3.564 3.609 . 0 0 "[ . 1 . ]" 1
234 1 21 VAL HA 1 23 TRP H 4.000 . 4.000 4.072 4.041 4.093 0.093 14 0 "[ . 1 . ]" 1
235 1 21 VAL HA 1 23 TRP HE3 5.000 . 5.000 4.752 4.577 4.917 . 0 0 "[ . 1 . ]" 1
236 1 21 VAL HA 1 24 LEU H 6.500 . 6.500 3.534 3.380 3.681 . 0 0 "[ . 1 . ]" 1
237 1 21 VAL HA 1 24 LEU QB 3.182 . 3.182 2.544 2.340 2.830 . 0 0 "[ . 1 . ]" 1
238 1 21 VAL HA 1 24 LEU QD 5.000 . 7.400 3.292 3.027 3.864 . 0 0 "[ . 1 . ]" 1
239 1 21 VAL HA 1 25 MET H 4.000 . 4.000 3.965 3.823 4.024 0.024 8 0 "[ . 1 . ]" 1
240 1 21 VAL HA 1 25 MET QB 6.500 . 7.500 5.094 4.962 5.277 . 0 0 "[ . 1 . ]" 1
241 1 21 VAL HB 1 23 TRP H 6.500 . 6.500 5.131 4.877 5.677 . 0 0 "[ . 1 . ]" 1
242 1 21 VAL QG 1 22 GLN H 6.822 . 6.822 2.833 2.122 3.183 . 0 0 "[ . 1 . ]" 1
243 1 21 VAL QG 1 22 GLN HE21 6.500 . 8.900 4.799 2.405 5.903 . 0 0 "[ . 1 . ]" 1
244 1 21 VAL QG 1 23 TRP H 6.822 . 6.822 4.387 4.041 4.509 . 0 0 "[ . 1 . ]" 1
245 1 21 VAL QG 1 23 TRP HE3 6.500 . 8.900 5.444 5.317 5.637 . 0 0 "[ . 1 . ]" 1
246 1 21 VAL QG 1 24 LEU H 6.822 . 6.822 4.559 4.453 4.675 . 0 0 "[ . 1 . ]" 1
247 1 21 VAL QG 1 24 LEU QB 6.500 . 9.900 3.475 3.177 3.665 . 0 0 "[ . 1 . ]" 1
248 1 21 VAL QG 1 24 LEU QD 5.000 . 9.800 3.277 2.750 3.619 . 0 0 "[ . 1 . ]" 1
249 1 21 VAL QG 1 25 MET H 6.822 . 6.822 4.119 3.931 4.764 . 0 0 "[ . 1 . ]" 1
250 1 21 VAL QG 1 25 MET QB 6.500 . 9.900 3.976 3.733 4.752 . 0 0 "[ . 1 . ]" 1
251 1 21 VAL QG 1 25 MET QG 5.428 . 8.828 2.890 2.463 4.007 . 0 0 "[ . 1 . ]" 1
252 1 22 GLN H 1 22 GLN QG 4.923 . 4.923 3.074 2.082 4.032 . 0 0 "[ . 1 . ]" 1
253 1 22 GLN H 1 23 TRP H 5.000 . 5.000 2.753 2.615 2.879 . 0 0 "[ . 1 . ]" 1
254 1 22 GLN H 1 23 TRP QB 6.500 . 7.500 4.422 4.276 4.525 . 0 0 "[ . 1 . ]" 1
255 1 22 GLN H 1 24 LEU QD 6.500 . 8.900 5.930 5.780 6.096 . 0 0 "[ . 1 . ]" 1
256 1 22 GLN H 1 25 MET H 5.000 . 5.000 4.806 4.730 4.856 . 0 0 "[ . 1 . ]" 1
257 1 22 GLN H 1 25 MET QB 6.500 . 7.500 4.827 4.689 4.991 . 0 0 "[ . 1 . ]" 1
258 1 22 GLN HA 1 22 GLN HE21 5.000 . 5.000 3.330 2.445 4.396 . 0 0 "[ . 1 . ]" 1
259 1 22 GLN HA 1 23 TRP H 6.500 . 6.500 3.566 3.529 3.606 . 0 0 "[ . 1 . ]" 1
260 1 22 GLN HA 1 25 MET H 4.000 . 4.000 3.698 3.533 3.927 . 0 0 "[ . 1 . ]" 1
261 1 22 GLN QB 1 23 TRP H 5.000 . 6.000 2.756 2.560 2.921 . 0 0 "[ . 1 . ]" 1
262 1 22 GLN QB 1 23 TRP HD1 6.500 . 7.500 6.263 5.977 6.538 . 0 0 "[ . 1 . ]" 1
263 1 22 GLN QB 1 26 ASN H 5.000 . 6.000 4.947 4.551 5.400 . 0 0 "[ . 1 . ]" 1
264 1 22 GLN QG 1 23 TRP H 4.443 . 4.443 3.976 3.730 4.139 . 0 0 "[ . 1 . ]" 1
265 1 22 GLN QG 1 24 LEU H 6.500 . 7.500 5.912 5.633 6.123 . 0 0 "[ . 1 . ]" 1
266 1 22 GLN QG 1 25 MET H 6.500 . 7.500 5.591 5.285 6.063 . 0 0 "[ . 1 . ]" 1
267 1 22 GLN QG 1 26 ASN H 6.500 . 7.500 5.310 4.328 6.396 . 0 0 "[ . 1 . ]" 1
268 1 23 TRP H 1 23 TRP QB 3.182 . 3.182 2.123 2.089 2.141 . 0 0 "[ . 1 . ]" 1
269 1 23 TRP H 1 23 TRP HD1 5.000 . 5.000 5.052 5.039 5.062 0.062 13 0 "[ . 1 . ]" 1
270 1 23 TRP H 1 23 TRP HE3 4.000 . 4.000 4.074 4.040 4.103 0.103 12 0 "[ . 1 . ]" 1
271 1 23 TRP H 1 24 LEU H 5.000 . 5.000 2.565 2.515 2.605 . 0 0 "[ . 1 . ]" 1
272 1 23 TRP H 1 24 LEU QB 4.442 . 4.442 4.060 4.046 4.074 . 0 0 "[ . 1 . ]" 1
273 1 23 TRP H 1 24 LEU QD 6.500 . 8.900 5.354 5.333 5.398 . 0 0 "[ . 1 . ]" 1
274 1 23 TRP H 1 25 MET QB 5.000 . 6.000 4.655 4.504 4.868 . 0 0 "[ . 1 . ]" 1
275 1 23 TRP HA 1 23 TRP HD1 3.300 . 3.300 2.855 2.816 2.882 . 0 0 "[ . 1 . ]" 1
276 1 23 TRP HA 1 23 TRP HE3 5.000 . 5.000 4.841 4.810 4.872 . 0 0 "[ . 1 . ]" 1
277 1 23 TRP HA 1 24 LEU QD 6.500 . 8.900 5.909 5.730 5.993 . 0 0 "[ . 1 . ]" 1
278 1 23 TRP HA 1 25 MET H 6.500 . 6.500 4.313 4.253 4.386 . 0 0 "[ . 1 . ]" 1
279 1 23 TRP HA 1 26 ASN QB 4.443 . 4.443 2.798 2.628 3.144 . 0 0 "[ . 1 . ]" 1
280 1 23 TRP QB 1 23 TRP HD1 3.561 . 3.561 2.710 2.693 2.727 . 0 0 "[ . 1 . ]" 1
281 1 23 TRP QB 1 23 TRP HE3 3.182 . 3.182 2.437 2.428 2.454 . 0 0 "[ . 1 . ]" 1
282 1 23 TRP QB 1 24 LEU H 3.300 . 4.300 2.332 2.295 2.403 . 0 0 "[ . 1 . ]" 1
283 1 23 TRP QB 1 24 LEU QB 5.000 . 7.000 3.826 3.763 3.864 . 0 0 "[ . 1 . ]" 1
284 1 23 TRP QB 1 24 LEU QD 6.500 . 9.900 4.850 4.803 4.958 . 0 0 "[ . 1 . ]" 1
285 1 23 TRP QB 1 25 MET H 5.000 . 6.000 4.569 4.505 4.649 . 0 0 "[ . 1 . ]" 1
286 1 23 TRP HD1 1 24 LEU H 5.000 . 5.000 5.031 5.013 5.049 0.049 11 0 "[ . 1 . ]" 1
287 1 23 TRP HD1 1 24 LEU QD 6.500 . 8.900 6.439 6.307 6.660 . 0 0 "[ . 1 . ]" 1
288 1 23 TRP HD1 1 25 MET H 6.500 . 6.500 6.553 6.542 6.571 0.071 12 0 "[ . 1 . ]" 1
289 1 23 TRP HD1 1 27 THR HA 6.500 . 6.500 6.128 5.826 6.378 . 0 0 "[ . 1 . ]" 1
290 1 23 TRP HD1 1 27 THR HB 6.500 . 6.500 5.053 3.692 6.172 . 0 0 "[ . 1 . ]" 1
291 1 23 TRP HD1 1 27 THR MG 6.500 . 7.000 3.550 2.876 4.406 . 0 0 "[ . 1 . ]" 1
292 1 23 TRP HE3 1 24 LEU H 4.000 . 4.000 2.350 2.310 2.412 . 0 0 "[ . 1 . ]" 1
293 1 23 TRP HE3 1 24 LEU QB 3.560 . 3.560 2.496 2.467 2.528 . 0 0 "[ . 1 . ]" 1
294 1 23 TRP HE3 1 24 LEU QD 6.500 . 8.900 3.598 3.524 3.745 . 0 0 "[ . 1 . ]" 1
295 1 23 TRP HE3 1 25 MET H 5.000 . 5.000 5.054 5.033 5.077 0.077 9 0 "[ . 1 . ]" 1
296 1 23 TRP HE3 1 27 THR MG 6.500 . 7.000 4.733 4.195 5.143 . 0 0 "[ . 1 . ]" 1
297 1 23 TRP HH2 1 24 LEU QD 6.500 . 8.900 3.867 3.640 4.621 . 0 0 "[ . 1 . ]" 1
298 1 23 TRP HH2 1 27 THR MG 6.500 . 7.000 4.473 3.680 5.076 . 0 0 "[ . 1 . ]" 1
299 1 23 TRP HZ2 1 24 LEU QD 6.500 . 8.900 5.073 4.887 5.694 . 0 0 "[ . 1 . ]" 1
300 1 23 TRP HZ3 1 24 LEU H 5.000 . 5.000 4.419 4.366 4.472 . 0 0 "[ . 1 . ]" 1
301 1 23 TRP HZ3 1 24 LEU QB 5.732 . 5.732 3.149 3.011 3.394 . 0 0 "[ . 1 . ]" 1
302 1 23 TRP HZ3 1 24 LEU QD 5.000 . 7.400 2.793 2.570 3.330 . 0 0 "[ . 1 . ]" 1
303 1 23 TRP HZ3 1 27 THR MG 6.500 . 7.000 5.092 4.283 5.700 . 0 0 "[ . 1 . ]" 1
304 1 24 LEU H 1 24 LEU QB 3.560 . 3.560 2.129 2.031 2.156 . 0 0 "[ . 1 . ]" 1
305 1 24 LEU H 1 24 LEU HG 5.000 . 5.000 4.413 4.048 4.486 . 0 0 "[ . 1 . ]" 1
306 1 24 LEU H 1 25 MET H 3.300 . 3.300 2.802 2.752 2.823 . 0 0 "[ . 1 . ]" 1
307 1 24 LEU H 1 25 MET QB 5.000 . 6.000 4.682 4.562 4.780 . 0 0 "[ . 1 . ]" 1
308 1 24 LEU H 1 26 ASN H 5.000 . 5.000 4.469 4.318 4.642 . 0 0 "[ . 1 . ]" 1
309 1 24 LEU HA 1 24 LEU QD 4.000 . 6.400 2.209 2.141 2.561 . 0 0 "[ . 1 . ]" 1
310 1 24 LEU HA 1 25 MET QB 6.500 . 7.500 5.415 5.375 5.473 . 0 0 "[ . 1 . ]" 1
311 1 24 LEU HA 1 26 ASN H 5.000 . 5.000 4.845 4.686 4.983 . 0 0 "[ . 1 . ]" 1
312 1 24 LEU HA 1 27 THR MG 5.000 . 5.500 3.153 2.194 3.939 . 0 0 "[ . 1 . ]" 1
313 1 24 LEU QB 1 25 MET H 4.145 . 4.145 2.531 2.492 2.583 . 0 0 "[ . 1 . ]" 1
314 1 24 LEU QB 1 25 MET HA 4.000 . 5.000 4.222 4.043 4.255 . 0 0 "[ . 1 . ]" 1
315 1 24 LEU QB 1 25 MET QB 6.500 . 8.500 4.326 4.289 4.376 . 0 0 "[ . 1 . ]" 1
316 1 24 LEU QB 1 25 MET QG 5.269 . 5.269 3.373 3.268 3.500 . 0 0 "[ . 1 . ]" 1
317 1 24 LEU QB 1 26 ASN H 5.000 . 6.000 4.917 4.798 5.040 . 0 0 "[ . 1 . ]" 1
318 1 24 LEU QD 1 25 MET H 6.500 . 8.900 3.807 3.214 3.968 . 0 0 "[ . 1 . ]" 1
319 1 24 LEU QD 1 25 MET HA 6.500 . 8.900 4.095 2.966 4.430 . 0 0 "[ . 1 . ]" 1
320 1 24 LEU QD 1 25 MET QB 6.500 . 9.900 4.857 4.147 5.069 . 0 0 "[ . 1 . ]" 1
321 1 24 LEU QD 1 25 MET QG 8.856 . 8.856 3.766 2.958 4.008 . 0 0 "[ . 1 . ]" 1
322 1 24 LEU QD 1 26 ASN H 6.500 . 8.900 5.404 4.826 5.618 . 0 0 "[ . 1 . ]" 1
323 1 24 LEU QD 1 27 THR HB 6.500 . 8.900 5.050 4.543 5.622 . 0 0 "[ . 1 . ]" 1
324 1 24 LEU HG 1 25 MET H 5.000 . 5.000 4.095 3.743 5.013 0.013 6 0 "[ . 1 . ]" 1
325 1 25 MET H 1 25 MET QB 3.300 . 4.300 2.287 2.244 2.341 . 0 0 "[ . 1 . ]" 1
326 1 25 MET H 1 25 MET QG 3.558 . 3.558 2.557 2.473 2.675 . 0 0 "[ . 1 . ]" 1
327 1 25 MET H 1 26 ASN H 3.300 . 3.300 2.740 2.637 2.817 . 0 0 "[ . 1 . ]" 1
328 1 25 MET H 1 26 ASN QB 6.500 . 7.500 4.587 4.299 4.837 . 0 0 "[ . 1 . ]" 1
329 1 25 MET H 1 27 THR MG 6.500 . 7.000 4.889 4.261 5.358 . 0 0 "[ . 1 . ]" 1
330 1 25 MET HA 1 25 MET QG 3.558 . 3.558 2.505 2.290 2.770 . 0 0 "[ . 1 . ]" 1
331 1 25 MET HA 1 26 ASN H 6.500 . 6.500 3.612 3.600 3.627 . 0 0 "[ . 1 . ]" 1
332 1 25 MET QB 1 26 ASN H 4.000 . 5.000 2.419 2.307 2.642 . 0 0 "[ . 1 . ]" 1
333 1 25 MET QB 1 26 ASN HD21 6.500 . 7.500 4.416 2.652 5.604 . 0 0 "[ . 1 . ]" 1
334 1 25 MET QB 1 27 THR MG 6.500 . 8.000 5.652 5.260 5.845 . 0 0 "[ . 1 . ]" 1
335 1 25 MET QG 1 26 ASN H 4.000 . 5.000 4.198 4.084 4.271 . 0 0 "[ . 1 . ]" 1
336 1 26 ASN H 1 27 THR HB 6.500 . 6.500 5.836 4.840 6.423 . 0 0 "[ . 1 . ]" 1
337 1 26 ASN H 1 27 THR MG 6.500 . 7.000 4.339 4.210 4.441 . 0 0 "[ . 1 . ]" 1
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