NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611316 |
2na2   |
25924 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2na2
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 301
_Distance_constraint_stats_list.Viol_count 233
_Distance_constraint_stats_list.Viol_total 365.649
_Distance_constraint_stats_list.Viol_max 0.545
_Distance_constraint_stats_list.Viol_rms 0.0537
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.1569
_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 6 PRO 0.694 0.180 4 0 "[ . 1]"
1 7 ILE 8.506 0.545 3 1 "[ + . 1]"
1 8 SER 0.016 0.016 1 0 "[ . 1]"
1 9 GLN 8.119 0.449 1 0 "[ . 1]"
1 10 LEU 1.116 0.273 8 0 "[ . 1]"
1 11 GLN 2.842 0.545 3 1 "[ + . 1]"
1 12 GLN 1.405 0.290 10 0 "[ . 1]"
1 13 CYS 0.000 0.000 . 0 "[ . 1]"
1 14 CYS 0.182 0.182 3 0 "[ . 1]"
1 15 LEU 5.387 0.394 10 0 "[ . 1]"
1 16 THR 0.040 0.040 8 0 "[ . 1]"
1 17 LEU 1.524 0.324 5 0 "[ . 1]"
1 18 ARG 0.000 0.000 . 0 "[ . 1]"
1 19 THR 0.061 0.061 7 0 "[ . 1]"
1 20 GLU 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 0.000 0.000 . 0 "[ . 1]"
1 22 LYS 0.044 0.042 5 0 "[ . 1]"
1 23 GLU 0.000 0.000 . 0 "[ . 1]"
1 24 PRO 0.000 0.000 . 0 "[ . 1]"
1 25 ASP 0.000 0.000 . 0 "[ . 1]"
1 26 ILE 0.303 0.109 6 0 "[ . 1]"
1 28 LEU 2.304 0.235 5 0 "[ . 1]"
1 29 TYR 0.000 0.000 . 0 "[ . 1]"
1 30 LYS 1.644 0.208 8 0 "[ . 1]"
1 31 THR 1.067 0.213 2 0 "[ . 1]"
1 32 LEU 0.508 0.233 2 0 "[ . 1]"
1 33 GLN 0.409 0.213 2 0 "[ . 1]"
1 34 THR 0.000 0.000 . 0 "[ . 1]"
1 35 VAL 0.253 0.102 4 0 "[ . 1]"
1 36 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 HIS 0.000 0.000 . 0 "[ . 1]"
1 40 ALA 0.387 0.143 4 0 "[ . 1]"
1 41 ARG 0.332 0.236 2 0 "[ . 1]"
1 42 THR 0.720 0.236 2 0 "[ . 1]"
1 43 TYR 0.253 0.102 4 0 "[ . 1]"
1 44 THR 0.645 0.233 2 0 "[ . 1]"
1 45 VAL 0.227 0.166 3 0 "[ . 1]"
1 46 ALA 0.000 0.000 . 0 "[ . 1]"
1 47 VAL 0.364 0.159 8 0 "[ . 1]"
1 48 TYR 1.360 0.327 4 0 "[ . 1]"
1 49 PHE 2.008 0.327 4 0 "[ . 1]"
1 50 LYS 0.684 0.147 7 0 "[ . 1]"
1 51 GLY 0.000 0.000 . 0 "[ . 1]"
1 52 GLU 0.000 0.000 . 0 "[ . 1]"
1 53 ARG 4.123 0.443 2 0 "[ . 1]"
1 54 ILE 5.014 0.443 2 0 "[ . 1]"
1 55 GLY 1.854 0.253 7 0 "[ . 1]"
1 56 CYS 0.000 0.000 . 0 "[ . 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 LYS 0.147 0.076 3 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 PRO 0.000 0.000 . 0 "[ . 1]"
1 61 SER 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 63 LYS 0.000 0.000 . 0 "[ . 1]"
1 64 GLN 0.809 0.354 1 0 "[ . 1]"
1 65 ALA 0.000 0.000 . 0 "[ . 1]"
1 66 LYS 3.506 0.354 1 0 "[ . 1]"
1 67 MET 0.270 0.123 7 0 "[ . 1]"
1 68 GLY 0.841 0.263 10 0 "[ . 1]"
1 69 ALA 0.123 0.123 7 0 "[ . 1]"
1 70 ALA 0.072 0.041 2 0 "[ . 1]"
1 71 MET 6.170 0.449 1 0 "[ . 1]"
1 72 ASP 1.846 0.253 7 0 "[ . 1]"
1 73 ALA 0.000 0.000 . 0 "[ . 1]"
1 74 LEU 2.936 0.384 1 0 "[ . 1]"
1 75 GLU 0.848 0.147 1 0 "[ . 1]"
1 76 LYS 0.000 0.000 . 0 "[ . 1]"
1 77 TYR 0.000 0.000 . 0 "[ . 1]"
1 78 ASN 0.154 0.090 7 0 "[ . 1]"
1 79 PHE 0.000 0.000 . 0 "[ . 1]"
1 80 PRO 0.315 0.127 10 0 "[ . 1]"
1 81 GLN 0.143 0.082 6 0 "[ . 1]"
1 82 MET 0.082 0.082 6 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 6 PRO HA 1 7 ILE H 4.000 . 5.000 2.383 2.176 2.822 . 0 0 "[ . 1]" 1
2 1 6 PRO HA 1 9 GLN H 4.000 . 5.000 5.054 4.896 5.180 0.180 4 0 "[ . 1]" 1
3 1 6 PRO QB 1 7 ILE H 4.000 . 5.000 2.720 1.814 3.239 . 0 0 "[ . 1]" 1
4 1 6 PRO QG 1 66 LYS QB 4.000 . 7.000 5.868 4.411 6.917 . 0 0 "[ . 1]" 1
5 1 6 PRO QG 1 66 LYS QG 4.000 . 7.000 5.786 4.529 6.997 . 0 0 "[ . 1]" 1
6 1 7 ILE H 1 7 ILE HB 4.000 . 5.000 2.312 2.131 2.509 . 0 0 "[ . 1]" 1
7 1 7 ILE H 1 7 ILE MD 4.000 . 5.000 2.416 1.717 4.191 0.083 8 0 "[ . 1]" 1
8 1 7 ILE H 1 7 ILE QG 4.000 . 5.000 3.296 2.514 4.050 . 0 0 "[ . 1]" 1
9 1 7 ILE H 1 7 ILE MG 4.000 . 5.000 3.512 2.579 3.756 . 0 0 "[ . 1]" 1
10 1 7 ILE H 1 8 SER H 4.000 . 5.000 2.563 2.533 2.610 . 0 0 "[ . 1]" 1
11 1 7 ILE H 1 8 SER QB 4.000 . 5.000 4.500 4.307 4.689 . 0 0 "[ . 1]" 1
12 1 7 ILE H 1 9 GLN H 4.000 . 5.000 4.398 4.259 4.484 . 0 0 "[ . 1]" 1
13 1 7 ILE HB 1 9 GLN H 4.000 . 5.000 5.183 5.085 5.340 0.340 10 0 "[ . 1]" 1
14 1 7 ILE MD 1 8 SER H 4.000 . 5.000 4.100 3.735 5.016 0.016 1 0 "[ . 1]" 1
15 1 7 ILE MD 1 66 LYS QG 4.000 . 7.000 6.937 5.570 7.306 0.306 2 0 "[ . 1]" 1
16 1 7 ILE MD 1 67 MET H 4.000 . 8.000 6.262 4.972 7.901 . 0 0 "[ . 1]" 1
17 1 7 ILE MD 1 67 MET HA 4.000 . 7.000 4.055 2.618 5.682 . 0 0 "[ . 1]" 1
18 1 7 ILE MD 1 67 MET QB 4.000 . 7.000 4.292 2.366 5.972 . 0 0 "[ . 1]" 1
19 1 7 ILE MD 1 74 LEU HG 4.000 . 7.000 6.247 4.755 7.029 0.029 2 0 "[ . 1]" 1
20 1 7 ILE QG 1 74 LEU HG 4.000 . 7.000 4.370 2.561 7.306 0.306 4 0 "[ . 1]" 1
21 1 7 ILE QG 1 8 SER H 4.000 . 5.000 4.622 4.382 4.783 . 0 0 "[ . 1]" 1
22 1 7 ILE QG 1 10 LEU H 4.000 . 5.000 4.794 3.455 5.101 0.101 8 0 "[ . 1]" 1
23 1 7 ILE QG 1 11 GLN H 4.000 . 5.000 5.144 3.598 5.545 0.545 3 1 "[ + . 1]" 1
24 1 7 ILE MG 1 8 SER H 4.000 . 5.000 3.433 2.212 3.920 . 0 0 "[ . 1]" 1
25 1 7 ILE MG 1 12 GLN H 4.000 . 5.000 5.128 4.875 5.290 0.290 10 0 "[ . 1]" 1
26 1 7 ILE MG 1 70 ALA H 4.000 . 5.000 4.603 3.753 5.041 0.041 2 0 "[ . 1]" 1
27 1 8 SER H 1 9 GLN H 4.000 . 5.000 2.706 2.623 2.805 . 0 0 "[ . 1]" 1
28 1 8 SER H 1 9 GLN QB 4.000 . 5.000 4.483 4.374 4.756 . 0 0 "[ . 1]" 1
29 1 8 SER HA 1 11 GLN H 4.000 . 5.000 3.431 3.245 3.617 . 0 0 "[ . 1]" 1
30 1 8 SER QB 1 9 GLN H 4.000 . 5.000 3.197 2.736 3.604 . 0 0 "[ . 1]" 1
31 1 9 GLN H 1 9 GLN QG 4.000 . 5.000 3.809 2.271 4.056 . 0 0 "[ . 1]" 1
32 1 9 GLN HA 1 10 LEU H 4.000 . 5.000 3.571 3.551 3.582 . 0 0 "[ . 1]" 1
33 1 9 GLN HA 1 11 GLN H 4.000 . 5.000 4.690 4.438 4.838 . 0 0 "[ . 1]" 1
34 1 9 GLN QB 1 10 LEU H 4.000 . 5.000 2.300 2.162 2.496 . 0 0 "[ . 1]" 1
35 1 9 GLN QB 1 71 MET QB 4.000 . 8.000 8.337 8.068 8.449 0.449 1 0 "[ . 1]" 1
36 1 9 GLN QG 1 15 LEU QD 4.000 . 7.000 7.218 6.953 7.394 0.394 10 0 "[ . 1]" 1
37 1 10 LEU H 1 10 LEU QD 4.000 . 5.000 3.397 3.083 3.763 . 0 0 "[ . 1]" 1
38 1 10 LEU H 1 11 GLN H 4.000 . 5.000 2.631 2.465 2.736 . 0 0 "[ . 1]" 1
39 1 10 LEU HA 1 12 GLN H 4.000 . 5.000 4.241 3.797 4.799 . 0 0 "[ . 1]" 1
40 1 10 LEU HA 1 13 CYS H 4.000 . 5.000 3.552 3.353 3.841 . 0 0 "[ . 1]" 1
41 1 10 LEU QB 1 11 GLN H 4.000 . 5.000 2.505 2.342 2.647 . 0 0 "[ . 1]" 1
42 1 10 LEU QD 1 11 GLN H 4.000 . 5.000 3.778 3.364 4.116 . 0 0 "[ . 1]" 1
43 1 10 LEU QD 1 13 CYS H 4.000 . 5.000 4.203 3.436 4.999 . 0 0 "[ . 1]" 1
44 1 10 LEU QD 1 14 CYS H 4.000 . 5.000 4.156 3.278 5.182 0.182 3 0 "[ . 1]" 1
45 1 10 LEU QD 1 54 ILE MD 4.000 . 7.000 6.946 5.871 7.273 0.273 8 0 "[ . 1]" 1
46 1 10 LEU HG 1 74 LEU QD 4.000 . 6.000 3.946 2.413 4.704 . 0 0 "[ . 1]" 1
47 1 11 GLN H 1 12 GLN H 4.000 . 5.000 2.728 2.682 2.816 . 0 0 "[ . 1]" 1
48 1 11 GLN H 1 12 GLN QB 4.000 . 5.000 4.541 4.430 4.728 . 0 0 "[ . 1]" 1
49 1 12 GLN H 1 12 GLN QG 4.000 . 5.000 3.314 2.263 3.962 . 0 0 "[ . 1]" 1
50 1 12 GLN QB 1 13 CYS H 4.000 . 5.000 2.539 2.409 2.691 . 0 0 "[ . 1]" 1
51 1 12 GLN QG 1 13 CYS H 4.000 . 5.000 3.908 3.557 4.285 . 0 0 "[ . 1]" 1
52 1 13 CYS H 1 14 CYS H 4.000 . 5.000 2.692 2.599 2.752 . 0 0 "[ . 1]" 1
53 1 13 CYS HA 1 14 CYS H 4.000 . 5.000 3.545 3.516 3.562 . 0 0 "[ . 1]" 1
54 1 14 CYS H 1 15 LEU H 4.000 . 5.000 2.723 2.645 2.804 . 0 0 "[ . 1]" 1
55 1 14 CYS H 1 15 LEU QB 4.000 . 5.000 4.560 4.400 4.755 . 0 0 "[ . 1]" 1
56 1 15 LEU H 1 16 THR H 4.000 . 5.000 2.708 2.601 2.893 . 0 0 "[ . 1]" 1
57 1 15 LEU H 1 17 LEU H 4.000 . 5.000 3.927 3.747 4.140 . 0 0 "[ . 1]" 1
58 1 15 LEU HA 1 28 LEU QD 4.000 . 8.000 7.671 6.532 8.235 0.235 5 0 "[ . 1]" 1
59 1 15 LEU QB 1 16 THR H 4.000 . 5.000 2.657 2.499 3.000 . 0 0 "[ . 1]" 1
60 1 15 LEU QB 1 28 LEU HG 4.000 . 8.000 8.058 7.274 8.230 0.230 10 0 "[ . 1]" 1
61 1 15 LEU QD 1 16 THR H 4.000 . 5.000 3.957 3.743 4.119 . 0 0 "[ . 1]" 1
62 1 15 LEU QD 1 17 LEU H 4.000 . 5.000 5.050 4.671 5.324 0.324 5 0 "[ . 1]" 1
63 1 15 LEU QD 1 29 TYR QB 4.000 . 7.000 4.591 3.238 6.971 . 0 0 "[ . 1]" 1
64 1 15 LEU QD 1 74 LEU QB 4.000 . 7.000 6.833 6.307 7.170 0.170 3 0 "[ . 1]" 1
65 1 16 THR H 1 16 THR HG1 4.000 . 5.000 2.417 1.760 3.188 0.040 8 0 "[ . 1]" 1
66 1 16 THR H 1 17 LEU H 4.000 . 5.000 2.475 2.413 2.539 . 0 0 "[ . 1]" 1
67 1 17 LEU H 1 17 LEU HG 4.000 . 5.000 4.462 3.957 5.030 0.030 1 0 "[ . 1]" 1
68 1 17 LEU H 1 18 ARG H 4.000 . 5.000 3.752 3.149 4.532 . 0 0 "[ . 1]" 1
69 1 17 LEU HA 1 18 ARG H 4.000 . 5.000 2.349 2.139 2.744 . 0 0 "[ . 1]" 1
70 1 17 LEU QD 1 18 ARG QG 4.000 . 8.000 4.523 3.148 6.226 . 0 0 "[ . 1]" 1
71 1 17 LEU QD 1 50 LYS QE 4.000 . 6.000 5.513 3.725 6.147 0.147 7 0 "[ . 1]" 1
72 1 17 LEU QD 1 80 PRO HA 4.000 . 8.000 5.912 2.785 8.040 0.040 3 0 "[ . 1]" 1
73 1 18 ARG H 1 18 ARG QG 4.000 . 5.000 2.486 1.875 4.044 . 0 0 "[ . 1]" 1
74 1 18 ARG HA 1 19 THR H 4.000 . 5.000 2.191 2.151 2.284 . 0 0 "[ . 1]" 1
75 1 19 THR HA 1 20 GLU H 4.000 . 5.000 2.154 2.133 2.175 . 0 0 "[ . 1]" 1
76 1 19 THR HG1 1 81 GLN QB 4.000 . 8.000 7.105 3.770 8.061 0.061 7 0 "[ . 1]" 1
77 1 21 GLY QA 1 22 LYS H 4.000 . 5.000 2.928 2.915 2.945 . 0 0 "[ . 1]" 1
78 1 22 LYS HA 1 23 GLU H 4.000 . 5.000 2.208 2.109 2.334 . 0 0 "[ . 1]" 1
79 1 22 LYS QD 1 50 LYS QE 4.000 . 6.000 4.479 2.923 5.998 . 0 0 "[ . 1]" 1
80 1 22 LYS QG 1 50 LYS QE 4.000 . 6.000 5.063 2.829 6.042 0.042 5 0 "[ . 1]" 1
81 1 24 PRO HA 1 25 ASP H 4.000 . 5.000 2.274 2.170 2.376 . 0 0 "[ . 1]" 1
82 1 24 PRO HB2 1 25 ASP H 4.000 . 5.000 3.208 2.721 3.805 . 0 0 "[ . 1]" 1
83 1 25 ASP H 1 25 ASP HB2 4.000 . 5.000 3.148 2.468 3.774 . 0 0 "[ . 1]" 1
84 1 25 ASP HA 1 26 ILE H 4.000 . 5.000 2.484 2.291 2.711 . 0 0 "[ . 1]" 1
85 1 25 ASP HB2 1 26 ILE H 4.000 . 5.000 3.170 1.999 4.069 . 0 0 "[ . 1]" 1
86 1 26 ILE H 1 50 LYS H 4.000 . 6.000 5.952 5.701 6.109 0.109 6 0 "[ . 1]" 1
87 1 28 LEU H 1 28 LEU QD 4.000 . 5.000 3.347 1.758 3.997 0.042 8 0 "[ . 1]" 1
88 1 28 LEU H 1 48 TYR H 4.000 . 5.000 4.285 3.406 4.979 . 0 0 "[ . 1]" 1
89 1 28 LEU H 1 49 PHE H 4.000 . 8.000 7.358 6.329 8.074 0.074 9 0 "[ . 1]" 1
90 1 28 LEU HA 1 29 TYR H 4.000 . 5.000 2.200 2.140 2.256 . 0 0 "[ . 1]" 1
91 1 28 LEU QB 1 29 TYR H 4.000 . 5.000 3.391 2.737 3.791 . 0 0 "[ . 1]" 1
92 1 28 LEU QD 1 29 TYR H 4.000 . 5.000 2.920 1.820 4.421 . 0 0 "[ . 1]" 1
93 1 28 LEU HG 1 30 LYS H 4.000 . 5.000 4.762 3.807 5.173 0.173 9 0 "[ . 1]" 1
94 1 29 TYR H 1 29 TYR HB2 4.000 . 5.000 3.468 2.505 3.829 . 0 0 "[ . 1]" 1
95 1 29 TYR H 1 30 LYS H 4.000 . 5.000 4.356 4.097 4.551 . 0 0 "[ . 1]" 1
96 1 29 TYR HA 1 30 LYS H 4.000 . 5.000 2.162 2.140 2.178 . 0 0 "[ . 1]" 1
97 1 30 LYS H 1 31 THR HG1 4.000 . 5.000 4.973 4.556 5.208 0.208 8 0 "[ . 1]" 1
98 1 30 LYS H 1 32 LEU QD 4.000 . 5.000 4.715 3.774 5.150 0.150 9 0 "[ . 1]" 1
99 1 30 LYS H 1 46 ALA H 4.000 . 5.000 4.047 3.296 4.537 . 0 0 "[ . 1]" 1
100 1 30 LYS H 1 47 VAL H 4.000 . 7.000 6.321 5.095 6.947 . 0 0 "[ . 1]" 1
101 1 30 LYS H 1 47 VAL HA 4.000 . 5.000 4.745 3.632 5.159 0.159 8 0 "[ . 1]" 1
102 1 31 THR HA 1 44 THR H 4.000 . 5.000 4.751 4.230 5.078 0.078 9 0 "[ . 1]" 1
103 1 31 THR HB 1 33 GLN H 4.000 . 5.000 4.420 3.538 5.213 0.213 2 0 "[ . 1]" 1
104 1 31 THR HB 1 44 THR H 4.000 . 5.000 4.094 3.133 5.035 0.035 9 0 "[ . 1]" 1
105 1 31 THR HG1 1 32 LEU H 4.000 . 5.000 3.331 1.914 3.845 . 0 0 "[ . 1]" 1
106 1 31 THR HG1 1 33 GLN H 4.000 . 5.000 4.112 2.302 5.087 0.087 3 0 "[ . 1]" 1
107 1 32 LEU H 1 32 LEU QD 4.000 . 5.000 3.016 2.284 3.732 . 0 0 "[ . 1]" 1
108 1 32 LEU H 1 33 GLN H 4.000 . 5.000 2.391 2.048 2.912 . 0 0 "[ . 1]" 1
109 1 32 LEU H 1 44 THR H 4.000 . 5.000 4.254 3.844 5.233 0.233 2 0 "[ . 1]" 1
110 1 32 LEU HA 1 33 GLN H 4.000 . 5.000 3.495 2.996 3.574 . 0 0 "[ . 1]" 1
111 1 32 LEU QD 1 33 GLN H 4.000 . 6.000 3.833 3.537 4.005 . 0 0 "[ . 1]" 1
112 1 32 LEU HG 1 33 GLN H 4.000 . 5.000 4.127 3.524 5.045 0.045 7 0 "[ . 1]" 1
113 1 33 GLN H 1 44 THR H 4.000 . 5.000 3.636 3.086 4.598 . 0 0 "[ . 1]" 1
114 1 34 THR HA 1 35 VAL H 4.000 . 5.000 2.207 2.148 2.252 . 0 0 "[ . 1]" 1
115 1 34 THR HG1 1 35 VAL H 4.000 . 5.000 3.216 2.510 3.752 . 0 0 "[ . 1]" 1
116 1 35 VAL H 1 35 VAL HB 4.000 . 5.000 3.230 2.652 3.861 . 0 0 "[ . 1]" 1
117 1 35 VAL H 1 35 VAL QG 4.000 . 5.000 2.332 1.881 2.869 . 0 0 "[ . 1]" 1
118 1 35 VAL H 1 42 THR H 4.000 . 5.000 3.378 2.940 4.049 . 0 0 "[ . 1]" 1
119 1 35 VAL H 1 43 TYR H 4.000 . 5.000 4.918 4.705 5.102 0.102 4 0 "[ . 1]" 1
120 1 35 VAL HA 1 36 GLY H 4.000 . 5.000 2.317 2.202 2.401 . 0 0 "[ . 1]" 1
121 1 35 VAL HB 1 36 GLY H 4.000 . 5.000 3.301 2.428 3.906 . 0 0 "[ . 1]" 1
122 1 35 VAL QG 1 36 GLY H 4.000 . 5.000 2.476 1.837 3.268 . 0 0 "[ . 1]" 1
123 1 39 HIS HA 1 40 ALA H 4.000 . 5.000 3.399 3.171 3.563 . 0 0 "[ . 1]" 1
124 1 40 ALA H 1 41 ARG H 4.000 . 5.000 4.548 4.314 4.600 . 0 0 "[ . 1]" 1
125 1 40 ALA H 1 42 THR HG1 4.000 . 5.000 4.939 4.686 5.143 0.143 4 0 "[ . 1]" 1
126 1 40 ALA HA 1 41 ARG H 4.000 . 5.000 2.203 2.165 2.263 . 0 0 "[ . 1]" 1
127 1 40 ALA MB 1 41 ARG H 4.000 . 5.000 2.947 2.704 3.409 . 0 0 "[ . 1]" 1
128 1 41 ARG H 1 41 ARG QD 4.000 . 5.000 3.486 2.083 4.684 . 0 0 "[ . 1]" 1
129 1 41 ARG H 1 41 ARG QG 4.000 . 5.000 2.827 1.899 3.966 . 0 0 "[ . 1]" 1
130 1 41 ARG H 1 42 THR H 4.000 . 5.000 4.563 4.410 4.617 . 0 0 "[ . 1]" 1
131 1 41 ARG HA 1 42 THR H 4.000 . 5.000 2.208 2.136 2.303 . 0 0 "[ . 1]" 1
132 1 41 ARG QB 1 42 THR H 4.000 . 5.000 3.046 2.637 3.756 . 0 0 "[ . 1]" 1
133 1 41 ARG QD 1 42 THR H 4.000 . 5.000 4.688 3.836 5.236 0.236 2 0 "[ . 1]" 1
134 1 41 ARG QG 1 42 THR H 4.000 . 5.000 3.790 2.682 4.581 . 0 0 "[ . 1]" 1
135 1 42 THR H 1 42 THR HB 4.000 . 5.000 3.699 2.663 3.859 . 0 0 "[ . 1]" 1
136 1 42 THR H 1 42 THR HG1 4.000 . 5.000 2.466 1.917 2.753 . 0 0 "[ . 1]" 1
137 1 42 THR H 1 43 TYR H 4.000 . 5.000 4.421 4.318 4.445 . 0 0 "[ . 1]" 1
138 1 42 THR HA 1 43 TYR H 4.000 . 5.000 2.241 2.145 2.263 . 0 0 "[ . 1]" 1
139 1 42 THR HA 1 59 GLY H 4.000 . 5.000 4.271 4.027 4.603 . 0 0 "[ . 1]" 1
140 1 42 THR HA 1 61 SER H 4.000 . 5.000 4.861 4.684 4.998 . 0 0 "[ . 1]" 1
141 1 42 THR HG1 1 43 TYR H 4.000 . 5.000 3.467 2.551 3.710 . 0 0 "[ . 1]" 1
142 1 42 THR HG1 1 59 GLY H 4.000 . 5.000 3.925 2.421 4.654 . 0 0 "[ . 1]" 1
143 1 43 TYR H 1 44 THR H 4.000 . 5.000 4.476 4.415 4.524 . 0 0 "[ . 1]" 1
144 1 43 TYR H 1 59 GLY H 4.000 . 5.000 2.896 2.650 3.070 . 0 0 "[ . 1]" 1
145 1 43 TYR HA 1 44 THR H 4.000 . 5.000 2.219 2.150 2.281 . 0 0 "[ . 1]" 1
146 1 43 TYR HB3 1 44 THR H 4.000 . 5.000 2.953 2.768 3.230 . 0 0 "[ . 1]" 1
147 1 44 THR H 1 44 THR HG1 4.000 . 5.000 2.715 1.749 3.396 0.051 5 0 "[ . 1]" 1
148 1 44 THR H 1 45 VAL H 4.000 . 5.000 4.411 4.340 4.517 . 0 0 "[ . 1]" 1
149 1 44 THR H 1 45 VAL QG 4.000 . 5.000 4.493 3.639 5.166 0.166 3 0 "[ . 1]" 1
150 1 44 THR HA 1 45 VAL H 4.000 . 5.000 2.154 2.131 2.211 . 0 0 "[ . 1]" 1
151 1 44 THR HA 1 59 GLY H 4.000 . 5.000 4.049 3.777 4.520 . 0 0 "[ . 1]" 1
152 1 44 THR HG1 1 45 VAL H 4.000 . 5.000 2.895 2.587 3.736 . 0 0 "[ . 1]" 1
153 1 45 VAL H 1 45 VAL HB 4.000 . 5.000 3.132 2.501 3.818 . 0 0 "[ . 1]" 1
154 1 45 VAL H 1 45 VAL QG 4.000 . 5.000 2.225 1.943 2.810 . 0 0 "[ . 1]" 1
155 1 45 VAL H 1 46 ALA H 4.000 . 5.000 4.396 4.323 4.474 . 0 0 "[ . 1]" 1
156 1 45 VAL H 1 59 GLY H 4.000 . 6.000 5.342 5.067 5.628 . 0 0 "[ . 1]" 1
157 1 45 VAL QG 1 46 ALA H 4.000 . 5.000 2.520 2.032 3.324 . 0 0 "[ . 1]" 1
158 1 45 VAL QG 1 66 LYS H 4.000 . 6.000 3.748 3.160 4.759 . 0 0 "[ . 1]" 1
159 1 46 ALA H 1 47 VAL H 4.000 . 5.000 4.193 4.126 4.352 . 0 0 "[ . 1]" 1
160 1 46 ALA H 1 47 VAL HA 4.000 . 5.000 4.671 4.588 4.982 . 0 0 "[ . 1]" 1
161 1 46 ALA HA 1 47 VAL H 4.000 . 5.000 2.135 2.117 2.180 . 0 0 "[ . 1]" 1
162 1 47 VAL H 1 47 VAL HB 4.000 . 5.000 2.584 2.420 3.588 . 0 0 "[ . 1]" 1
163 1 47 VAL H 1 47 VAL QG 4.000 . 5.000 2.253 1.818 2.361 . 0 0 "[ . 1]" 1
164 1 47 VAL H 1 55 GLY H 4.000 . 5.000 3.447 3.266 3.568 . 0 0 "[ . 1]" 1
165 1 47 VAL HA 1 48 TYR H 4.000 . 5.000 2.184 2.150 2.278 . 0 0 "[ . 1]" 1
166 1 47 VAL HB 1 48 TYR H 4.000 . 5.000 4.006 2.768 4.223 . 0 0 "[ . 1]" 1
167 1 47 VAL HB 1 49 PHE QB 4.000 . 7.000 5.171 4.917 5.381 . 0 0 "[ . 1]" 1
168 1 47 VAL HB 1 54 ILE H 4.000 . 5.000 3.660 3.116 4.617 . 0 0 "[ . 1]" 1
169 1 47 VAL QG 1 48 TYR H 4.000 . 6.000 2.586 2.325 3.303 . 0 0 "[ . 1]" 1
170 1 48 TYR H 1 49 PHE HB2 4.000 . 5.000 5.136 5.028 5.327 0.327 4 0 "[ . 1]" 1
171 1 48 TYR HA 1 49 PHE H 4.000 . 5.000 2.191 2.121 2.270 . 0 0 "[ . 1]" 1
172 1 48 TYR HA 1 54 ILE H 4.000 . 5.000 3.304 2.306 3.766 . 0 0 "[ . 1]" 1
173 1 48 TYR QB 1 49 PHE H 4.000 . 5.000 3.023 2.683 3.469 . 0 0 "[ . 1]" 1
174 1 49 PHE H 1 50 LYS HA 4.000 . 6.000 5.713 5.427 6.036 0.036 7 0 "[ . 1]" 1
175 1 49 PHE H 1 52 GLU H 4.000 . 5.000 2.621 2.162 2.851 . 0 0 "[ . 1]" 1
176 1 49 PHE H 1 54 ILE MD 4.000 . 5.000 4.672 3.985 5.047 0.047 2 0 "[ . 1]" 1
177 1 49 PHE HA 1 50 LYS H 4.000 . 5.000 2.143 2.125 2.174 . 0 0 "[ . 1]" 1
178 1 49 PHE HA 1 51 GLY H 4.000 . 5.000 3.583 3.385 3.872 . 0 0 "[ . 1]" 1
179 1 49 PHE QB 1 54 ILE QG 4.000 . 8.000 2.286 1.851 2.681 . 0 0 "[ . 1]" 1
180 1 49 PHE QB 1 78 ASN HA 4.000 . 8.000 7.174 6.102 8.090 0.090 7 0 "[ . 1]" 1
181 1 49 PHE QB 1 80 PRO QD 4.000 . 8.000 7.465 6.841 8.127 0.127 10 0 "[ . 1]" 1
182 1 50 LYS H 1 51 GLY H 4.000 . 5.000 2.714 2.540 2.964 . 0 0 "[ . 1]" 1
183 1 50 LYS HA 1 51 GLY H 4.000 . 5.000 2.994 2.838 3.082 . 0 0 "[ . 1]" 1
184 1 50 LYS HA 1 52 GLU H 4.000 . 5.000 4.496 4.334 4.677 . 0 0 "[ . 1]" 1
185 1 51 GLY H 1 52 GLU H 4.000 . 5.000 2.383 2.307 2.480 . 0 0 "[ . 1]" 1
186 1 52 GLU HA 1 53 ARG H 4.000 . 5.000 2.192 2.140 2.265 . 0 0 "[ . 1]" 1
187 1 53 ARG H 1 54 ILE H 4.000 . 5.000 4.548 4.512 4.603 . 0 0 "[ . 1]" 1
188 1 53 ARG H 1 54 ILE HA 4.000 . 5.000 5.412 5.381 5.443 0.443 2 0 "[ . 1]" 1
189 1 54 ILE H 1 54 ILE MD 4.000 . 5.000 4.157 3.733 4.603 . 0 0 "[ . 1]" 1
190 1 54 ILE H 1 54 ILE QG 4.000 . 5.000 3.047 1.993 4.069 . 0 0 "[ . 1]" 1
191 1 54 ILE H 1 55 GLY H 4.000 . 5.000 1.959 1.792 2.045 0.008 2 0 "[ . 1]" 1
192 1 54 ILE HA 1 55 GLY H 4.000 . 5.000 3.410 3.174 3.528 . 0 0 "[ . 1]" 1
193 1 54 ILE MD 1 55 GLY H 4.000 . 5.000 4.644 4.091 4.993 . 0 0 "[ . 1]" 1
194 1 54 ILE QG 1 55 GLY H 4.000 . 5.000 3.331 2.343 4.035 . 0 0 "[ . 1]" 1
195 1 55 GLY H 1 56 CYS H 4.000 . 5.000 4.267 4.162 4.321 . 0 0 "[ . 1]" 1
196 1 55 GLY H 1 56 CYS HA 4.000 . 6.000 4.837 4.795 4.932 . 0 0 "[ . 1]" 1
197 1 55 GLY HA2 1 56 CYS H 4.000 . 5.000 2.254 2.185 2.310 . 0 0 "[ . 1]" 1
198 1 55 GLY HA2 1 72 ASP H 4.000 . 5.000 5.185 5.100 5.253 0.253 7 0 "[ . 1]" 1
199 1 55 GLY HA2 1 73 ALA H 4.000 . 5.000 3.636 3.281 4.051 . 0 0 "[ . 1]" 1
200 1 56 CYS H 1 57 GLY QA 4.000 . 5.000 4.362 4.155 4.409 . 0 0 "[ . 1]" 1
201 1 56 CYS H 1 73 ALA H 4.000 . 6.000 4.495 3.415 5.462 . 0 0 "[ . 1]" 1
202 1 56 CYS HA 1 57 GLY H 4.000 . 5.000 2.191 2.139 2.323 . 0 0 "[ . 1]" 1
203 1 56 CYS QB 1 57 GLY H 4.000 . 5.000 3.392 2.625 3.907 . 0 0 "[ . 1]" 1
204 1 57 GLY H 1 58 LYS H 4.000 . 5.000 4.388 4.378 4.402 . 0 0 "[ . 1]" 1
205 1 57 GLY H 1 69 ALA H 4.000 . 6.000 4.649 4.058 5.405 . 0 0 "[ . 1]" 1
206 1 57 GLY QA 1 58 LYS H 4.000 . 5.000 2.269 2.246 2.296 . 0 0 "[ . 1]" 1
207 1 57 GLY QA 1 59 GLY H 4.000 . 7.000 5.738 5.682 5.767 . 0 0 "[ . 1]" 1
208 1 57 GLY QA 1 69 ALA H 4.000 . 6.000 3.019 2.506 3.748 . 0 0 "[ . 1]" 1
209 1 58 LYS H 1 58 LYS QD 4.000 . 5.000 3.810 1.724 5.072 0.076 3 0 "[ . 1]" 1
210 1 58 LYS H 1 58 LYS QG 4.000 . 5.000 2.556 2.201 4.163 . 0 0 "[ . 1]" 1
211 1 58 LYS HA 1 59 GLY H 4.000 . 5.000 2.346 2.284 2.383 . 0 0 "[ . 1]" 1
212 1 58 LYS QB 1 59 GLY H 4.000 . 5.000 2.606 2.452 3.383 . 0 0 "[ . 1]" 1
213 1 58 LYS QG 1 59 GLY H 4.000 . 5.000 3.487 1.920 4.391 . 0 0 "[ . 1]" 1
214 1 59 GLY H 1 60 PRO QD 4.000 . 5.000 4.312 4.295 4.329 . 0 0 "[ . 1]" 1
215 1 60 PRO HA 1 61 SER H 4.000 . 5.000 3.438 3.362 3.534 . 0 0 "[ . 1]" 1
216 1 60 PRO QB 1 61 SER H 4.000 . 5.000 3.291 2.770 3.658 . 0 0 "[ . 1]" 1
217 1 60 PRO QD 1 61 SER H 4.000 . 5.000 2.735 2.625 2.874 . 0 0 "[ . 1]" 1
218 1 60 PRO QG 1 61 SER H 4.000 . 5.000 3.397 2.901 3.936 . 0 0 "[ . 1]" 1
219 1 61 SER H 1 64 GLN H 4.000 . 5.000 4.075 3.851 4.859 . 0 0 "[ . 1]" 1
220 1 61 SER H 1 65 ALA H 4.000 . 5.000 4.058 3.649 4.331 . 0 0 "[ . 1]" 1
221 1 61 SER H 1 65 ALA MB 4.000 . 5.000 4.210 3.598 4.769 . 0 0 "[ . 1]" 1
222 1 62 LYS HA 1 65 ALA H 4.000 . 5.000 3.356 3.307 3.417 . 0 0 "[ . 1]" 1
223 1 62 LYS QB 1 65 ALA H 4.000 . 5.000 4.834 4.743 4.937 . 0 0 "[ . 1]" 1
224 1 63 LYS H 1 63 LYS QD 4.000 . 5.000 4.121 3.514 4.643 . 0 0 "[ . 1]" 1
225 1 63 LYS H 1 63 LYS QG 4.000 . 5.000 3.010 1.806 3.955 . 0 0 "[ . 1]" 1
226 1 63 LYS H 1 64 GLN H 4.000 . 5.000 2.766 2.668 2.935 . 0 0 "[ . 1]" 1
227 1 63 LYS HA 1 64 GLN H 4.000 . 5.000 3.552 3.518 3.574 . 0 0 "[ . 1]" 1
228 1 63 LYS QD 1 64 GLN H 4.000 . 6.000 4.291 3.421 4.662 . 0 0 "[ . 1]" 1
229 1 63 LYS QG 1 64 GLN H 4.000 . 5.000 3.463 1.904 4.192 . 0 0 "[ . 1]" 1
230 1 64 GLN H 1 65 ALA H 4.000 . 5.000 2.598 2.516 2.676 . 0 0 "[ . 1]" 1
231 1 64 GLN H 1 66 LYS H 4.000 . 5.000 4.080 3.795 4.200 . 0 0 "[ . 1]" 1
232 1 64 GLN H 1 66 LYS QB 4.000 . 5.000 5.004 4.583 5.354 0.354 1 0 "[ . 1]" 1
233 1 64 GLN HA 1 65 ALA H 4.000 . 5.000 3.534 3.523 3.550 . 0 0 "[ . 1]" 1
234 1 65 ALA H 1 66 LYS H 4.000 . 5.000 2.659 2.536 2.708 . 0 0 "[ . 1]" 1
235 1 65 ALA H 1 66 LYS QB 4.000 . 5.000 4.495 4.283 4.608 . 0 0 "[ . 1]" 1
236 1 65 ALA H 1 66 LYS QG 4.000 . 5.000 4.685 4.300 4.986 . 0 0 "[ . 1]" 1
237 1 65 ALA H 1 68 GLY H 4.000 . 5.500 5.081 4.858 5.432 . 0 0 "[ . 1]" 1
238 1 65 ALA MB 1 66 LYS H 4.000 . 5.000 2.624 2.471 2.992 . 0 0 "[ . 1]" 1
239 1 66 LYS H 1 66 LYS QG 4.000 . 5.000 2.662 2.263 3.054 . 0 0 "[ . 1]" 1
240 1 66 LYS H 1 67 MET H 4.000 . 5.000 2.722 2.629 2.939 . 0 0 "[ . 1]" 1
241 1 66 LYS H 1 67 MET ME 4.000 . 6.000 5.688 4.831 6.070 0.070 2 0 "[ . 1]" 1
242 1 66 LYS QB 1 67 MET H 4.000 . 5.000 2.945 2.393 3.344 . 0 0 "[ . 1]" 1
243 1 66 LYS QB 1 68 GLY H 4.000 . 5.000 4.979 4.490 5.263 0.263 10 0 "[ . 1]" 1
244 1 67 MET H 1 67 MET ME 4.000 . 5.000 4.074 3.375 4.446 . 0 0 "[ . 1]" 1
245 1 67 MET H 1 67 MET HG2 4.000 . 5.000 3.925 3.166 4.642 . 0 0 "[ . 1]" 1
246 1 67 MET H 1 67 MET HG3 4.000 . 5.000 3.394 2.235 4.629 . 0 0 "[ . 1]" 1
247 1 67 MET H 1 69 ALA MB 4.000 . 5.000 4.798 4.521 5.123 0.123 7 0 "[ . 1]" 1
248 1 68 GLY H 1 69 ALA H 4.000 . 5.000 2.639 2.561 2.729 . 0 0 "[ . 1]" 1
249 1 68 GLY H 1 69 ALA MB 4.000 . 5.000 4.290 4.174 4.354 . 0 0 "[ . 1]" 1
250 1 68 GLY H 1 71 MET QB 4.000 . 5.000 4.753 4.594 4.945 . 0 0 "[ . 1]" 1
251 1 69 ALA H 1 70 ALA H 4.000 . 5.000 2.743 2.688 2.811 . 0 0 "[ . 1]" 1
252 1 69 ALA H 1 72 ASP H 4.000 . 5.000 4.656 4.539 4.831 . 0 0 "[ . 1]" 1
253 1 69 ALA HA 1 70 ALA H 4.000 . 5.000 3.560 3.543 3.572 . 0 0 "[ . 1]" 1
254 1 69 ALA HA 1 71 MET H 4.000 . 5.000 4.608 4.448 4.754 . 0 0 "[ . 1]" 1
255 1 69 ALA MB 1 70 ALA H 4.000 . 5.000 2.404 2.317 2.506 . 0 0 "[ . 1]" 1
256 1 70 ALA H 1 71 MET QB 4.000 . 5.000 4.438 4.391 4.497 . 0 0 "[ . 1]" 1
257 1 70 ALA H 1 72 ASP H 4.000 . 5.000 4.064 3.986 4.165 . 0 0 "[ . 1]" 1
258 1 70 ALA H 1 72 ASP QB 4.000 . 7.000 4.811 4.717 4.916 . 0 0 "[ . 1]" 1
259 1 70 ALA MB 1 71 MET H 4.000 . 5.000 2.432 2.301 2.496 . 0 0 "[ . 1]" 1
260 1 71 MET H 1 71 MET HG2 4.000 . 5.000 4.448 4.431 4.464 . 0 0 "[ . 1]" 1
261 1 71 MET H 1 71 MET HG3 4.000 . 5.000 4.412 4.389 4.438 . 0 0 "[ . 1]" 1
262 1 71 MET H 1 72 ASP H 4.000 . 5.000 2.679 2.649 2.726 . 0 0 "[ . 1]" 1
263 1 71 MET H 1 73 ALA H 4.000 . 5.000 4.362 4.237 4.446 . 0 0 "[ . 1]" 1
264 1 71 MET H 1 74 LEU QB 4.000 . 5.000 4.700 4.455 5.109 0.109 9 0 "[ . 1]" 1
265 1 71 MET H 1 74 LEU QD 4.000 . 5.000 5.143 4.641 5.384 0.384 1 0 "[ . 1]" 1
266 1 71 MET HA 1 72 ASP H 4.000 . 5.000 3.539 3.527 3.554 . 0 0 "[ . 1]" 1
267 1 71 MET HA 1 73 ALA H 4.000 . 5.000 4.501 4.287 4.753 . 0 0 "[ . 1]" 1
268 1 71 MET QB 1 72 ASP H 4.000 . 5.000 2.650 2.501 2.710 . 0 0 "[ . 1]" 1
269 1 71 MET QB 1 75 GLU H 4.000 . 5.000 5.066 4.960 5.147 0.147 1 0 "[ . 1]" 1
270 1 72 ASP HA 1 75 GLU H 4.000 . 5.000 3.608 3.417 3.790 . 0 0 "[ . 1]" 1
271 1 72 ASP QB 1 73 ALA H 4.000 . 5.000 2.400 2.292 2.533 . 0 0 "[ . 1]" 1
272 1 73 ALA H 1 74 LEU H 4.000 . 5.000 2.663 2.623 2.730 . 0 0 "[ . 1]" 1
273 1 73 ALA HA 1 74 LEU H 4.000 . 5.000 3.539 3.523 3.563 . 0 0 "[ . 1]" 1
274 1 73 ALA MB 1 74 LEU H 4.000 . 5.000 2.494 2.386 2.559 . 0 0 "[ . 1]" 1
275 1 74 LEU H 1 74 LEU QD 4.000 . 5.000 3.348 1.871 3.759 . 0 0 "[ . 1]" 1
276 1 74 LEU H 1 74 LEU HG 4.000 . 5.000 4.306 3.813 4.457 . 0 0 "[ . 1]" 1
277 1 74 LEU H 1 75 GLU H 4.000 . 5.000 2.735 2.680 2.780 . 0 0 "[ . 1]" 1
278 1 74 LEU QD 1 75 GLU H 4.000 . 5.000 3.540 2.871 3.848 . 0 0 "[ . 1]" 1
279 1 74 LEU HG 1 75 GLU H 4.000 . 5.000 4.124 3.467 5.084 0.084 3 0 "[ . 1]" 1
280 1 75 GLU H 1 75 GLU QG 4.000 . 5.000 3.134 2.256 4.050 . 0 0 "[ . 1]" 1
281 1 75 GLU H 1 76 LYS QB 4.000 . 5.000 4.592 4.347 4.830 . 0 0 "[ . 1]" 1
282 1 75 GLU H 1 77 TYR H 4.000 . 5.000 3.853 3.704 4.129 . 0 0 "[ . 1]" 1
283 1 75 GLU HA 1 76 LYS H 4.000 . 5.000 3.539 3.525 3.554 . 0 0 "[ . 1]" 1
284 1 76 LYS H 1 76 LYS QD 4.000 . 5.000 3.978 3.391 4.420 . 0 0 "[ . 1]" 1
285 1 76 LYS H 1 77 TYR H 4.000 . 5.000 2.473 2.397 2.647 . 0 0 "[ . 1]" 1
286 1 76 LYS QB 1 77 TYR H 4.000 . 5.000 3.019 2.653 3.694 . 0 0 "[ . 1]" 1
287 1 77 TYR H 1 78 ASN H 4.000 . 5.000 3.674 2.938 4.352 . 0 0 "[ . 1]" 1
288 1 77 TYR HA 1 78 ASN H 4.000 . 5.000 2.293 2.144 2.750 . 0 0 "[ . 1]" 1
289 1 77 TYR QB 1 78 ASN H 4.000 . 5.000 3.761 3.165 4.030 . 0 0 "[ . 1]" 1
290 1 78 ASN H 1 79 PHE H 4.000 . 5.000 4.521 4.358 4.604 . 0 0 "[ . 1]" 1
291 1 78 ASN HA 1 79 PHE H 4.000 . 5.000 2.188 2.127 2.246 . 0 0 "[ . 1]" 1
292 1 78 ASN QB 1 79 PHE H 4.000 . 5.000 3.125 2.795 3.862 . 0 0 "[ . 1]" 1
293 1 79 PHE H 1 80 PRO HD2 4.000 . 5.000 3.312 1.856 4.900 . 0 0 "[ . 1]" 1
294 1 80 PRO HA 1 81 GLN H 4.000 . 5.000 2.828 2.190 3.564 . 0 0 "[ . 1]" 1
295 1 80 PRO QG 1 81 GLN H 4.000 . 5.000 3.827 2.362 4.670 . 0 0 "[ . 1]" 1
296 1 81 GLN H 1 81 GLN QG 4.000 . 6.000 3.067 2.285 4.306 . 0 0 "[ . 1]" 1
297 1 81 GLN H 1 82 MET H 4.000 . 5.000 3.541 1.718 4.623 0.082 6 0 "[ . 1]" 1
298 1 81 GLN HA 1 82 MET H 4.000 . 5.000 2.707 2.145 3.544 . 0 0 "[ . 1]" 1
299 1 81 GLN HB2 1 82 MET H 4.000 . 5.000 3.717 2.528 4.631 . 0 0 "[ . 1]" 1
300 1 81 GLN HB3 1 82 MET H 4.000 . 5.000 3.832 2.563 4.523 . 0 0 "[ . 1]" 1
301 1 81 GLN QG 1 82 MET H 4.000 . 6.000 3.693 2.718 4.632 . 0 0 "[ . 1]" 1
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