NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588293 |
2mg1   |
19581 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mg1
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 368
_Distance_constraint_stats_list.Viol_count 492
_Distance_constraint_stats_list.Viol_total 361.960
_Distance_constraint_stats_list.Viol_max 0.218
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0368
_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 LYS 0.003 0.003 19 0 "[ . 1 . 2]"
1 2 LYS 0.433 0.069 19 0 "[ . 1 . 2]"
1 3 LYS 0.164 0.081 4 0 "[ . 1 . 2]"
1 4 LEU 1.258 0.218 11 0 "[ . 1 . 2]"
1 5 PHE 1.401 0.067 18 0 "[ . 1 . 2]"
1 6 ILE 2.549 0.126 10 0 "[ . 1 . 2]"
1 7 MET 0.336 0.071 13 0 "[ . 1 . 2]"
1 8 ILE 1.576 0.098 4 0 "[ . 1 . 2]"
1 9 VAL 3.775 0.126 10 0 "[ . 1 . 2]"
1 10 GLY 0.205 0.059 9 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 2.388 0.103 17 0 "[ . 1 . 2]"
1 13 VAL 1.312 0.073 16 0 "[ . 1 . 2]"
1 14 GLY 0.018 0.017 18 0 "[ . 1 . 2]"
1 15 LEU 1.008 0.152 2 0 "[ . 1 . 2]"
1 16 ARG 1.230 0.152 2 0 "[ . 1 . 2]"
1 17 ILE 1.362 0.073 6 0 "[ . 1 . 2]"
1 18 VAL 1.016 0.137 12 0 "[ . 1 . 2]"
1 19 PHE 1.159 0.175 17 0 "[ . 1 . 2]"
1 20 ALA 0.486 0.030 19 0 "[ . 1 . 2]"
1 21 VAL 2.213 0.115 1 0 "[ . 1 . 2]"
1 22 LEU 1.280 0.175 17 0 "[ . 1 . 2]"
1 23 SER 0.544 0.054 11 0 "[ . 1 . 2]"
1 24 ILE 3.445 0.121 20 0 "[ . 1 . 2]"
1 25 LYS 0.747 0.067 4 0 "[ . 1 . 2]"
1 26 LYS 0.332 0.067 9 0 "[ . 1 . 2]"
1 27 LYS 2.012 0.121 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 1 LYS QD . . 4.390 3.576 2.259 4.284 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 1 LYS HG2 . . 4.000 2.951 2.326 3.840 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HA 1 1 LYS QG . . 3.400 2.480 2.123 3.403 0.003 19 0 "[ . 1 . 2]" 1
4 1 1 LYS HA 1 1 LYS HG3 . . 4.000 2.915 2.241 3.884 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS HA 1 2 LYS QB . . 2.400 2.336 2.122 2.423 0.023 4 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 2 LYS QE . . 4.100 3.506 1.997 4.169 0.069 19 0 "[ . 1 . 2]" 1
7 1 2 LYS HA 1 4 LEU H . . 5.250 4.390 4.114 4.757 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS HA 1 5 PHE H . . 4.280 3.353 3.208 3.610 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS HA 1 5 PHE QB . . 2.900 2.606 2.477 2.825 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS HA 1 5 PHE QD . . 4.560 4.415 4.150 4.622 0.062 6 0 "[ . 1 . 2]" 1
11 1 2 LYS QB 1 3 LYS H . . 5.500 2.792 2.374 3.614 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS QB 1 5 PHE H . . 5.040 4.858 4.651 5.054 0.014 4 0 "[ . 1 . 2]" 1
13 1 2 LYS QB 1 5 PHE QD . . 5.500 5.032 4.251 5.520 0.020 6 0 "[ . 1 . 2]" 1
14 1 3 LYS H 1 3 LYS HG2 . . 5.500 3.298 2.026 4.670 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS H 1 3 LYS HG3 . . 5.500 3.464 2.130 4.577 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS H 1 4 LEU H . . 3.900 2.916 2.833 2.984 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS HA 1 3 LYS QE . . 5.500 4.429 3.083 5.475 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS HA 1 3 LYS QG . . 3.450 2.607 2.164 3.389 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS HA 1 5 PHE H . . 4.720 4.585 4.231 4.722 0.002 2 0 "[ . 1 . 2]" 1
20 1 3 LYS HA 1 6 ILE MD . . 3.310 2.501 2.313 2.793 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS HA 1 6 ILE QG . . 4.880 3.934 3.697 4.118 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS HA 1 6 ILE MG . . 4.600 4.198 3.889 4.379 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS QB 1 4 LEU H . . 4.450 2.751 2.285 3.576 . 0 0 "[ . 1 . 2]" 1
24 1 3 LYS QG 1 4 LEU H . . 4.100 3.613 2.075 4.121 0.021 18 0 "[ . 1 . 2]" 1
25 1 3 LYS HG2 1 4 LEU H . . 4.790 4.083 2.139 4.871 0.081 4 0 "[ . 1 . 2]" 1
26 1 3 LYS HG3 1 4 LEU H . . 4.790 4.124 2.381 4.798 0.008 17 0 "[ . 1 . 2]" 1
27 1 4 LEU H 1 4 LEU HB2 . . 3.630 2.277 2.103 2.664 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU H 1 4 LEU QB . . 3.050 2.247 2.082 2.600 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU H 1 4 LEU HB3 . . 3.630 3.495 3.349 3.638 0.008 12 0 "[ . 1 . 2]" 1
30 1 4 LEU H 1 4 LEU QD . . 2.840 2.672 2.266 2.900 0.060 18 0 "[ . 1 . 2]" 1
31 1 4 LEU H 1 5 PHE H . . 3.440 2.721 2.572 2.889 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU H 1 6 ILE H . . 4.450 4.341 4.256 4.453 0.003 5 0 "[ . 1 . 2]" 1
33 1 4 LEU HA 1 4 LEU QD . . 2.380 2.183 1.955 2.598 0.218 11 0 "[ . 1 . 2]" 1
34 1 4 LEU HA 1 7 MET H . . 4.180 3.430 3.292 3.599 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU HA 1 7 MET HB2 . . 4.270 2.552 2.311 2.741 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU HA 1 7 MET QB . . 3.410 2.528 2.290 2.711 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU HA 1 7 MET HB3 . . 4.270 4.088 3.727 4.341 0.071 13 0 "[ . 1 . 2]" 1
38 1 4 LEU HA 1 7 MET HG2 . . 5.090 4.395 3.458 5.133 0.043 1 0 "[ . 1 . 2]" 1
39 1 4 LEU HA 1 7 MET QG . . 4.240 3.225 2.620 3.729 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU HA 1 7 MET HG3 . . 5.090 3.343 2.642 3.907 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU QB 1 5 PHE QD . . 5.340 5.338 5.212 5.377 0.037 18 0 "[ . 1 . 2]" 1
42 1 4 LEU HB2 1 5 PHE H . . 3.960 2.878 2.519 3.178 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU HB3 1 5 PHE H . . 3.960 3.284 2.941 3.769 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU QD 1 5 PHE H . . 4.610 4.068 3.958 4.133 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU MD1 1 5 PHE H . . 5.350 4.555 4.277 4.812 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU MD2 1 5 PHE H . . 5.350 4.594 4.335 4.745 . 0 0 "[ . 1 . 2]" 1
47 1 5 PHE H 1 5 PHE HB2 . . 3.460 2.472 2.361 2.562 . 0 0 "[ . 1 . 2]" 1
48 1 5 PHE H 1 5 PHE QB . . 3.030 2.250 2.223 2.274 . 0 0 "[ . 1 . 2]" 1
49 1 5 PHE H 1 5 PHE HB3 . . 3.460 2.595 2.490 2.712 . 0 0 "[ . 1 . 2]" 1
50 1 5 PHE H 1 6 ILE H . . 3.290 2.836 2.605 2.878 . 0 0 "[ . 1 . 2]" 1
51 1 5 PHE H 1 6 ILE HA . . 5.470 5.476 5.297 5.503 0.033 11 0 "[ . 1 . 2]" 1
52 1 5 PHE H 1 6 ILE HB . . 5.500 4.928 4.655 5.022 . 0 0 "[ . 1 . 2]" 1
53 1 5 PHE H 1 6 ILE MD . . 5.500 5.073 4.520 5.354 . 0 0 "[ . 1 . 2]" 1
54 1 5 PHE HA 1 5 PHE QD . . 3.390 2.813 2.674 3.109 . 0 0 "[ . 1 . 2]" 1
55 1 5 PHE HA 1 8 ILE H . . 3.920 3.533 3.424 3.742 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE HA 1 8 ILE HB . . 3.820 3.066 2.811 3.576 . 0 0 "[ . 1 . 2]" 1
57 1 5 PHE HA 1 8 ILE MD . . 3.890 2.549 2.303 2.977 . 0 0 "[ . 1 . 2]" 1
58 1 5 PHE HA 1 8 ILE HG12 . . 5.370 5.064 4.812 5.324 . 0 0 "[ . 1 . 2]" 1
59 1 5 PHE HA 1 8 ILE HG13 . . 5.500 3.799 3.547 4.101 . 0 0 "[ . 1 . 2]" 1
60 1 5 PHE HA 1 9 VAL QG . . 4.520 3.715 3.490 4.238 . 0 0 "[ . 1 . 2]" 1
61 1 5 PHE QB 1 9 VAL QG . . 4.350 3.962 3.841 4.235 . 0 0 "[ . 1 . 2]" 1
62 1 5 PHE HB2 1 6 ILE H . . 3.810 3.782 3.556 3.831 0.021 13 0 "[ . 1 . 2]" 1
63 1 5 PHE HB3 1 6 ILE H . . 3.810 2.453 2.358 2.506 . 0 0 "[ . 1 . 2]" 1
64 1 5 PHE QD 1 6 ILE HA . . 4.480 3.422 3.238 3.640 . 0 0 "[ . 1 . 2]" 1
65 1 5 PHE QD 1 6 ILE MD . . 4.700 4.503 4.193 4.764 0.064 6 0 "[ . 1 . 2]" 1
66 1 5 PHE QD 1 6 ILE QG . . 4.570 2.978 2.677 3.280 . 0 0 "[ . 1 . 2]" 1
67 1 5 PHE QD 1 6 ILE MG . . 5.040 4.923 4.777 5.049 0.009 12 0 "[ . 1 . 2]" 1
68 1 5 PHE QD 1 8 ILE HB . . 4.640 4.515 4.145 4.694 0.054 17 0 "[ . 1 . 2]" 1
69 1 5 PHE QD 1 8 ILE MD . . 5.500 3.798 3.524 4.161 . 0 0 "[ . 1 . 2]" 1
70 1 5 PHE QD 1 9 VAL HB . . 5.500 5.511 5.400 5.567 0.067 18 0 "[ . 1 . 2]" 1
71 1 5 PHE QD 1 9 VAL QG . . 4.100 2.884 2.748 2.959 . 0 0 "[ . 1 . 2]" 1
72 1 5 PHE QE 1 8 ILE MD . . 5.500 5.014 4.749 5.325 . 0 0 "[ . 1 . 2]" 1
73 1 5 PHE QE 1 8 ILE MG . . 5.500 5.174 4.866 5.404 . 0 0 "[ . 1 . 2]" 1
74 1 5 PHE QE 1 9 VAL QG . . 4.260 2.513 2.397 2.621 . 0 0 "[ . 1 . 2]" 1
75 1 5 PHE HZ 1 9 VAL QG . . 4.740 2.951 2.644 4.189 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE H 1 6 ILE MD . . 3.750 3.325 3.061 3.511 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE H 1 6 ILE QG . . 3.610 2.161 2.111 2.210 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE H 1 6 ILE MG . . 4.160 3.812 3.784 3.834 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE H 1 9 VAL QG . . 5.070 3.882 3.814 4.057 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE HA 1 6 ILE MD . . 4.390 3.901 3.866 3.931 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE HA 1 6 ILE HG12 . . 3.690 2.675 2.588 2.785 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE HA 1 6 ILE QG . . 3.200 2.438 2.391 2.489 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE HA 1 6 ILE HG13 . . 3.690 2.818 2.697 2.928 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE HA 1 6 ILE MG . . 3.440 2.439 2.413 2.466 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE HA 1 8 ILE H . . 4.670 4.514 4.231 4.670 0.000 18 0 "[ . 1 . 2]" 1
86 1 6 ILE HA 1 9 VAL H . . 3.810 3.718 3.570 3.807 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE HA 1 9 VAL HB . . 4.810 4.914 4.891 4.936 0.126 10 0 "[ . 1 . 2]" 1
88 1 6 ILE HA 1 9 VAL MG1 . . 4.290 3.984 3.812 4.139 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE HA 1 9 VAL QG . . 3.610 2.000 1.974 2.038 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE HA 1 9 VAL MG2 . . 4.290 2.006 1.979 2.042 . 0 0 "[ . 1 . 2]" 1
91 1 6 ILE HA 1 10 GLY H . . 4.510 3.696 3.422 4.040 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HB 1 7 MET H . . 5.500 2.790 2.678 2.887 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE HB 1 9 VAL QG . . 4.930 4.466 4.399 4.503 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE MG 1 7 MET H . . 4.470 3.493 3.325 3.601 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE MG 1 7 MET HA . . 4.540 3.651 3.559 3.823 . 0 0 "[ . 1 . 2]" 1
96 1 7 MET H 1 7 MET QB . . 3.210 2.293 2.092 2.575 . 0 0 "[ . 1 . 2]" 1
97 1 7 MET H 1 7 MET HG2 . . 3.990 3.021 2.463 3.868 . 0 0 "[ . 1 . 2]" 1
98 1 7 MET H 1 7 MET QG . . 3.350 2.719 2.376 3.115 . 0 0 "[ . 1 . 2]" 1
99 1 7 MET H 1 7 MET HG3 . . 3.990 3.364 2.425 3.913 . 0 0 "[ . 1 . 2]" 1
100 1 7 MET H 1 8 ILE H . . 3.390 2.861 2.791 2.919 . 0 0 "[ . 1 . 2]" 1
101 1 7 MET H 1 9 VAL QG . . 5.440 4.282 4.200 4.350 . 0 0 "[ . 1 . 2]" 1
102 1 7 MET HA 1 7 MET HG2 . . 3.800 2.428 2.110 2.917 . 0 0 "[ . 1 . 2]" 1
103 1 7 MET HA 1 7 MET QG . . 3.240 2.385 2.087 2.816 . 0 0 "[ . 1 . 2]" 1
104 1 7 MET HA 1 7 MET HG3 . . 3.800 3.515 2.932 3.723 . 0 0 "[ . 1 . 2]" 1
105 1 7 MET HA 1 10 GLY H . . 3.990 3.810 3.528 4.012 0.022 10 0 "[ . 1 . 2]" 1
106 1 7 MET QB 1 7 MET ME . . 4.300 2.969 2.157 3.755 . 0 0 "[ . 1 . 2]" 1
107 1 7 MET QB 1 8 ILE H . . 3.460 2.676 2.527 2.824 . 0 0 "[ . 1 . 2]" 1
108 1 7 MET HB2 1 8 ILE H . . 3.950 2.829 2.630 3.001 . 0 0 "[ . 1 . 2]" 1
109 1 7 MET HB3 1 8 ILE H . . 3.950 3.360 3.004 3.698 . 0 0 "[ . 1 . 2]" 1
110 1 7 MET QG 1 8 ILE H . . 5.140 4.348 4.172 4.492 . 0 0 "[ . 1 . 2]" 1
111 1 8 ILE H 1 8 ILE MD . . 3.760 3.425 3.321 3.523 . 0 0 "[ . 1 . 2]" 1
112 1 8 ILE H 1 8 ILE HG12 . . 3.600 3.582 3.518 3.636 0.036 12 0 "[ . 1 . 2]" 1
113 1 8 ILE H 1 8 ILE HG13 . . 5.500 2.188 2.142 2.220 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE H 1 8 ILE MG . . 3.820 3.822 3.811 3.834 0.014 11 0 "[ . 1 . 2]" 1
115 1 8 ILE H 1 9 VAL H . . 3.450 2.805 2.742 2.851 . 0 0 "[ . 1 . 2]" 1
116 1 8 ILE H 1 9 VAL HA . . 5.500 5.441 5.390 5.484 . 0 0 "[ . 1 . 2]" 1
117 1 8 ILE H 1 9 VAL QG . . 4.850 3.778 3.656 3.823 . 0 0 "[ . 1 . 2]" 1
118 1 8 ILE HA 1 8 ILE HG12 . . 3.230 2.659 2.611 2.707 . 0 0 "[ . 1 . 2]" 1
119 1 8 ILE HA 1 8 ILE HG13 . . 3.100 2.893 2.821 2.985 . 0 0 "[ . 1 . 2]" 1
120 1 8 ILE HA 1 8 ILE MG . . 2.850 2.423 2.372 2.446 . 0 0 "[ . 1 . 2]" 1
121 1 8 ILE HB 1 9 VAL H . . 3.050 2.418 2.375 2.451 . 0 0 "[ . 1 . 2]" 1
122 1 8 ILE HB 1 9 VAL QG . . 5.140 3.069 2.992 3.163 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE HG12 1 9 VAL H . . 5.130 5.003 4.983 5.017 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE HG13 1 9 VAL H . . 4.230 4.290 4.255 4.328 0.098 4 0 "[ . 1 . 2]" 1
125 1 9 VAL H 1 9 VAL HB . . 3.710 3.711 3.687 3.728 0.018 9 0 "[ . 1 . 2]" 1
126 1 9 VAL H 1 9 VAL MG1 . . 3.120 2.263 2.223 2.325 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL H 1 9 VAL QG . . 2.720 1.989 1.935 2.017 . 0 0 "[ . 1 . 2]" 1
128 1 9 VAL H 1 9 VAL MG2 . . 3.120 2.210 2.091 2.293 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL HA 1 9 VAL HB . . 2.720 2.419 2.396 2.461 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL HA 1 9 VAL MG1 . . 3.360 2.333 2.309 2.360 . 0 0 "[ . 1 . 2]" 1
131 1 9 VAL HA 1 9 VAL QG . . 2.600 2.284 2.264 2.306 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL HA 1 9 VAL MG2 . . 3.360 3.254 3.242 3.263 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL HA 1 11 GLY H . . 5.500 4.072 3.649 4.518 . 0 0 "[ . 1 . 2]" 1
134 1 9 VAL HA 1 12 LEU H . . 3.800 3.501 3.303 3.689 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL HA 1 12 LEU QB . . 3.280 2.863 2.501 3.111 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL HA 1 13 VAL H . . 4.530 4.083 3.684 4.353 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL QG 1 12 LEU H . . 5.440 4.763 4.643 4.878 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL QG 1 13 VAL H . . 4.960 4.551 4.184 4.847 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL QG 1 13 VAL QG . . 4.850 3.392 2.891 3.875 . 0 0 "[ . 1 . 2]" 1
140 1 10 GLY H 1 11 GLY H . . 3.390 2.829 2.737 2.924 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLY H 1 12 LEU H . . 4.730 4.602 4.241 4.789 0.059 9 0 "[ . 1 . 2]" 1
142 1 10 GLY HA2 1 13 VAL H . . 4.890 3.783 3.593 4.109 . 0 0 "[ . 1 . 2]" 1
143 1 10 GLY HA2 1 13 VAL HB . . 3.330 2.941 2.574 3.170 . 0 0 "[ . 1 . 2]" 1
144 1 10 GLY HA2 1 13 VAL QG . . 4.280 3.563 3.248 3.861 . 0 0 "[ . 1 . 2]" 1
145 1 10 GLY HA2 1 14 GLY H . . 5.500 3.579 2.922 3.910 . 0 0 "[ . 1 . 2]" 1
146 1 10 GLY HA3 1 13 VAL H . . 5.360 5.073 4.858 5.343 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLY HA3 1 13 VAL HB . . 4.950 4.652 4.270 4.878 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLY H 1 12 LEU H . . 3.290 2.738 2.629 2.866 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU H 1 12 LEU QB . . 3.410 2.004 1.984 2.047 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU H 1 12 LEU MD1 . . 4.290 4.223 4.175 4.272 . 0 0 "[ . 1 . 2]" 1
151 1 12 LEU H 1 12 LEU MD2 . . 3.000 3.064 3.025 3.103 0.103 17 0 "[ . 1 . 2]" 1
152 1 12 LEU H 1 12 LEU HG . . 5.500 4.314 4.266 4.397 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU H 1 13 VAL H . . 3.500 2.950 2.851 3.017 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU H 1 13 VAL QG . . 4.580 4.413 4.329 4.500 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU HA 1 12 LEU MD1 . . 2.690 2.192 2.088 2.321 . 0 0 "[ . 1 . 2]" 1
156 1 12 LEU HA 1 12 LEU MD2 . . 2.880 2.147 2.091 2.247 . 0 0 "[ . 1 . 2]" 1
157 1 12 LEU HA 1 15 LEU HB2 . . 5.500 3.221 2.712 3.699 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU HA 1 15 LEU HB3 . . 5.500 4.229 3.562 5.090 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU HA 1 15 LEU HG . . 5.500 4.704 4.143 5.366 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU QB 1 13 VAL H . . 3.390 2.410 2.355 2.460 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU HB2 1 13 VAL H . . 4.000 3.134 3.029 3.274 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU HB3 1 13 VAL H . . 4.000 2.505 2.441 2.561 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU MD1 1 13 VAL H . . 4.010 4.054 4.028 4.083 0.073 16 0 "[ . 1 . 2]" 1
164 1 12 LEU MD2 1 13 VAL H . . 5.500 4.610 4.574 4.659 . 0 0 "[ . 1 . 2]" 1
165 1 12 LEU HG 1 13 VAL H . . 4.860 4.838 4.771 4.873 0.013 9 0 "[ . 1 . 2]" 1
166 1 13 VAL H 1 13 VAL HB . . 3.170 2.561 2.511 2.633 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL H 1 13 VAL MG1 . . 4.200 3.833 3.815 3.854 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL H 1 13 VAL QG . . 3.080 2.169 2.123 2.286 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL H 1 13 VAL MG2 . . 4.200 2.182 2.133 2.303 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL H 1 14 GLY H . . 3.490 2.759 2.675 2.830 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL H 1 15 LEU H . . 4.480 4.323 4.094 4.512 0.032 13 0 "[ . 1 . 2]" 1
172 1 13 VAL HA 1 13 VAL MG1 . . 3.150 2.423 2.383 2.452 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL HA 1 13 VAL QG . . 2.350 2.134 2.089 2.157 . 0 0 "[ . 1 . 2]" 1
174 1 13 VAL HA 1 13 VAL MG2 . . 3.150 2.369 2.288 2.401 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL HA 1 16 ARG H . . 5.500 3.677 3.411 3.928 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL HA 1 16 ARG QB . . 5.340 3.672 2.577 4.376 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL HA 1 16 ARG QG . . 4.690 3.694 2.697 4.614 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL HB 1 14 GLY H . . 5.500 2.767 2.576 2.942 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL HB 1 14 GLY QA . . 5.500 4.122 4.023 4.219 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL QG 1 17 ILE H . . 5.440 4.534 3.988 5.138 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL MG1 1 14 GLY H . . 4.230 3.564 3.382 3.730 . 0 0 "[ . 1 . 2]" 1
182 1 13 VAL MG1 1 16 ARG H . . 5.500 4.472 4.159 4.820 . 0 0 "[ . 1 . 2]" 1
183 1 13 VAL MG2 1 14 GLY H . . 4.230 3.977 3.895 4.043 . 0 0 "[ . 1 . 2]" 1
184 1 13 VAL MG2 1 16 ARG H . . 5.500 5.456 5.269 5.567 0.067 9 0 "[ . 1 . 2]" 1
185 1 14 GLY H 1 14 GLY QA . . 2.720 2.195 2.177 2.222 . 0 0 "[ . 1 . 2]" 1
186 1 14 GLY H 1 15 LEU H . . 3.300 2.883 2.784 2.984 . 0 0 "[ . 1 . 2]" 1
187 1 14 GLY QA 1 16 ARG H . . 5.500 3.961 3.695 4.185 . 0 0 "[ . 1 . 2]" 1
188 1 14 GLY QA 1 17 ILE MD . . 4.050 2.557 2.121 4.067 0.017 18 0 "[ . 1 . 2]" 1
189 1 14 GLY QA 1 17 ILE QG . . 4.160 3.326 2.410 4.160 0.000 16 0 "[ . 1 . 2]" 1
190 1 14 GLY QA 1 18 VAL H . . 4.370 3.965 3.712 4.266 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLY QA 1 18 VAL QG . . 4.340 3.524 3.302 3.765 . 0 0 "[ . 1 . 2]" 1
192 1 15 LEU H 1 15 LEU QD . . 4.020 3.328 2.988 3.529 . 0 0 "[ . 1 . 2]" 1
193 1 15 LEU H 1 18 VAL QG . . 4.680 4.364 4.079 4.546 . 0 0 "[ . 1 . 2]" 1
194 1 15 LEU HA 1 15 LEU MD1 . . 3.190 2.403 2.187 2.708 . 0 0 "[ . 1 . 2]" 1
195 1 15 LEU HA 1 15 LEU QD . . 2.630 2.013 1.950 2.077 . 0 0 "[ . 1 . 2]" 1
196 1 15 LEU HA 1 15 LEU MD2 . . 3.190 2.168 2.143 2.202 . 0 0 "[ . 1 . 2]" 1
197 1 15 LEU HA 1 18 VAL H . . 3.890 3.421 3.199 3.607 . 0 0 "[ . 1 . 2]" 1
198 1 15 LEU HA 1 18 VAL HB . . 5.500 2.516 2.323 2.742 . 0 0 "[ . 1 . 2]" 1
199 1 15 LEU HA 1 18 VAL MG1 . . 4.190 3.933 3.771 4.151 . 0 0 "[ . 1 . 2]" 1
200 1 15 LEU HA 1 18 VAL QG . . 3.480 2.999 2.674 3.272 . 0 0 "[ . 1 . 2]" 1
201 1 15 LEU HA 1 18 VAL MG2 . . 4.190 3.125 2.708 3.501 . 0 0 "[ . 1 . 2]" 1
202 1 15 LEU HA 1 19 PHE H . . 4.370 3.809 3.447 4.165 . 0 0 "[ . 1 . 2]" 1
203 1 15 LEU HB2 1 16 ARG H . . 5.500 3.606 3.346 3.730 . 0 0 "[ . 1 . 2]" 1
204 1 15 LEU HB3 1 16 ARG H . . 5.500 2.844 2.634 3.033 . 0 0 "[ . 1 . 2]" 1
205 1 15 LEU QD 1 16 ARG H . . 3.900 3.901 3.711 4.052 0.152 2 0 "[ . 1 . 2]" 1
206 1 15 LEU QD 1 19 PHE QD . . 4.550 3.478 2.215 4.161 . 0 0 "[ . 1 . 2]" 1
207 1 15 LEU QD 1 19 PHE QE . . 5.440 4.774 3.350 5.497 0.057 13 0 "[ . 1 . 2]" 1
208 1 15 LEU HG 1 16 ARG H . . 5.500 5.147 4.950 5.318 . 0 0 "[ . 1 . 2]" 1
209 1 16 ARG H 1 16 ARG HD2 . . 5.000 4.183 2.318 4.850 . 0 0 "[ . 1 . 2]" 1
210 1 16 ARG H 1 16 ARG QD . . 4.160 3.684 2.288 4.170 0.010 11 0 "[ . 1 . 2]" 1
211 1 16 ARG H 1 16 ARG HD3 . . 5.000 4.249 3.460 4.893 . 0 0 "[ . 1 . 2]" 1
212 1 16 ARG H 1 16 ARG HG2 . . 5.500 3.451 2.247 4.618 . 0 0 "[ . 1 . 2]" 1
213 1 16 ARG H 1 16 ARG HG3 . . 5.500 3.095 2.051 4.582 . 0 0 "[ . 1 . 2]" 1
214 1 16 ARG H 1 17 ILE H . . 3.390 2.726 2.640 2.835 . 0 0 "[ . 1 . 2]" 1
215 1 16 ARG H 1 17 ILE MD . . 5.500 4.971 3.646 5.335 . 0 0 "[ . 1 . 2]" 1
216 1 16 ARG H 1 18 VAL H . . 4.350 4.295 4.169 4.370 0.020 6 0 "[ . 1 . 2]" 1
217 1 16 ARG H 1 18 VAL QG . . 5.440 4.977 4.840 5.129 . 0 0 "[ . 1 . 2]" 1
218 1 16 ARG HA 1 19 PHE H . . 4.680 3.735 3.523 4.002 . 0 0 "[ . 1 . 2]" 1
219 1 16 ARG HA 1 19 PHE QB . . 5.500 2.842 2.604 3.068 . 0 0 "[ . 1 . 2]" 1
220 1 16 ARG HA 1 19 PHE QD . . 4.210 3.986 3.699 4.213 0.003 8 0 "[ . 1 . 2]" 1
221 1 16 ARG QB 1 16 ARG QD . . 2.890 2.251 2.107 2.522 . 0 0 "[ . 1 . 2]" 1
222 1 17 ILE H 1 17 ILE MD . . 3.730 3.338 2.147 3.647 . 0 0 "[ . 1 . 2]" 1
223 1 17 ILE H 1 17 ILE QG . . 3.680 2.240 2.052 2.736 . 0 0 "[ . 1 . 2]" 1
224 1 17 ILE H 1 17 ILE MG . . 4.520 3.820 3.786 3.844 . 0 0 "[ . 1 . 2]" 1
225 1 17 ILE H 1 18 VAL H . . 3.300 2.612 2.474 2.676 . 0 0 "[ . 1 . 2]" 1
226 1 17 ILE H 1 18 VAL HA . . 5.240 5.272 5.164 5.313 0.073 6 0 "[ . 1 . 2]" 1
227 1 17 ILE H 1 18 VAL QG . . 4.680 4.098 3.885 4.208 . 0 0 "[ . 1 . 2]" 1
228 1 17 ILE H 1 19 PHE H . . 4.460 4.108 3.983 4.288 . 0 0 "[ . 1 . 2]" 1
229 1 17 ILE H 1 20 ALA MB . . 5.500 4.917 4.665 5.102 . 0 0 "[ . 1 . 2]" 1
230 1 17 ILE HA 1 17 ILE MD . . 3.890 3.745 2.301 3.934 0.044 5 0 "[ . 1 . 2]" 1
231 1 17 ILE HA 1 17 ILE HG12 . . 3.870 2.793 2.608 3.420 . 0 0 "[ . 1 . 2]" 1
232 1 17 ILE HA 1 17 ILE QG . . 3.110 2.554 2.457 3.161 0.051 15 0 "[ . 1 . 2]" 1
233 1 17 ILE HA 1 17 ILE HG13 . . 3.870 3.041 2.531 3.847 . 0 0 "[ . 1 . 2]" 1
234 1 17 ILE HA 1 17 ILE MG . . 3.060 2.378 2.309 2.466 . 0 0 "[ . 1 . 2]" 1
235 1 17 ILE HA 1 20 ALA H . . 4.090 3.602 3.491 3.719 . 0 0 "[ . 1 . 2]" 1
236 1 17 ILE HA 1 20 ALA MB . . 3.100 2.838 2.555 3.012 . 0 0 "[ . 1 . 2]" 1
237 1 17 ILE HA 1 21 VAL H . . 4.820 4.340 3.960 4.581 . 0 0 "[ . 1 . 2]" 1
238 1 17 ILE HB 1 18 VAL H . . 5.500 2.484 2.404 2.579 . 0 0 "[ . 1 . 2]" 1
239 1 17 ILE QG 1 18 VAL H . . 5.340 4.012 3.778 4.292 . 0 0 "[ . 1 . 2]" 1
240 1 17 ILE MG 1 18 VAL H . . 3.980 3.400 3.284 3.517 . 0 0 "[ . 1 . 2]" 1
241 1 17 ILE MG 1 18 VAL HA . . 3.690 3.587 3.448 3.706 0.016 18 0 "[ . 1 . 2]" 1
242 1 17 ILE MG 1 20 ALA H . . 4.880 4.793 4.668 4.903 0.023 5 0 "[ . 1 . 2]" 1
243 1 18 VAL H 1 18 VAL MG1 . . 3.910 3.816 3.786 3.845 . 0 0 "[ . 1 . 2]" 1
244 1 18 VAL H 1 18 VAL QG . . 3.030 2.170 2.061 2.284 . 0 0 "[ . 1 . 2]" 1
245 1 18 VAL H 1 18 VAL MG2 . . 3.910 2.182 2.070 2.301 . 0 0 "[ . 1 . 2]" 1
246 1 18 VAL H 1 19 PHE H . . 3.620 2.876 2.805 2.956 . 0 0 "[ . 1 . 2]" 1
247 1 18 VAL H 1 20 ALA H . . 4.520 4.386 4.281 4.463 . 0 0 "[ . 1 . 2]" 1
248 1 18 VAL HA 1 18 VAL MG1 . . 2.960 2.445 2.356 2.522 . 0 0 "[ . 1 . 2]" 1
249 1 18 VAL HA 1 18 VAL QG . . 2.450 2.147 2.104 2.191 . 0 0 "[ . 1 . 2]" 1
250 1 18 VAL HA 1 18 VAL MG2 . . 2.960 2.379 2.325 2.448 . 0 0 "[ . 1 . 2]" 1
251 1 18 VAL HA 1 20 ALA H . . 4.840 4.523 4.394 4.736 . 0 0 "[ . 1 . 2]" 1
252 1 18 VAL HA 1 21 VAL H . . 3.980 3.534 3.455 3.760 . 0 0 "[ . 1 . 2]" 1
253 1 18 VAL HA 1 21 VAL HB . . 3.230 2.856 2.596 3.092 . 0 0 "[ . 1 . 2]" 1
254 1 18 VAL HA 1 21 VAL MG2 . . 3.660 3.311 2.881 3.672 0.012 13 0 "[ . 1 . 2]" 1
255 1 18 VAL HA 1 22 LEU H . . 4.330 4.032 3.921 4.117 . 0 0 "[ . 1 . 2]" 1
256 1 18 VAL HA 1 22 LEU HB2 . . 5.500 5.257 5.063 5.430 . 0 0 "[ . 1 . 2]" 1
257 1 18 VAL HA 1 22 LEU QD . . 4.530 4.406 4.136 4.667 0.137 12 0 "[ . 1 . 2]" 1
258 1 18 VAL HA 1 22 LEU HG . . 5.500 4.762 4.285 5.097 . 0 0 "[ . 1 . 2]" 1
259 1 18 VAL HB 1 19 PHE H . . 3.340 2.724 2.600 2.779 . 0 0 "[ . 1 . 2]" 1
260 1 18 VAL QG 1 19 PHE H . . 3.940 3.266 3.104 3.380 . 0 0 "[ . 1 . 2]" 1
261 1 18 VAL QG 1 19 PHE HA . . 4.150 3.577 3.402 3.727 . 0 0 "[ . 1 . 2]" 1
262 1 18 VAL QG 1 22 LEU QD . . 5.370 2.189 2.030 2.327 . 0 0 "[ . 1 . 2]" 1
263 1 19 PHE H 1 19 PHE QB . . 2.990 2.165 2.067 2.234 . 0 0 "[ . 1 . 2]" 1
264 1 19 PHE H 1 19 PHE QD . . 4.330 4.102 3.877 4.231 . 0 0 "[ . 1 . 2]" 1
265 1 19 PHE H 1 20 ALA H . . 3.670 2.833 2.800 2.856 . 0 0 "[ . 1 . 2]" 1
266 1 19 PHE H 1 20 ALA MB . . 4.420 4.441 4.427 4.450 0.030 19 0 "[ . 1 . 2]" 1
267 1 19 PHE H 1 21 VAL H . . 4.650 4.356 4.267 4.425 . 0 0 "[ . 1 . 2]" 1
268 1 19 PHE HA 1 19 PHE QD . . 3.860 2.518 2.267 2.711 . 0 0 "[ . 1 . 2]" 1
269 1 19 PHE HA 1 22 LEU H . . 4.550 3.408 3.314 3.485 . 0 0 "[ . 1 . 2]" 1
270 1 19 PHE HA 1 22 LEU HB2 . . 3.430 2.392 2.285 2.466 . 0 0 "[ . 1 . 2]" 1
271 1 19 PHE HA 1 22 LEU HB3 . . 3.970 3.855 3.664 3.994 0.024 7 0 "[ . 1 . 2]" 1
272 1 19 PHE HA 1 22 LEU QD . . 3.740 2.700 2.486 2.942 . 0 0 "[ . 1 . 2]" 1
273 1 19 PHE QB 1 20 ALA H . . 3.470 2.641 2.558 2.754 . 0 0 "[ . 1 . 2]" 1
274 1 19 PHE QD 1 20 ALA HA . . 4.560 4.284 3.668 4.572 0.012 11 0 "[ . 1 . 2]" 1
275 1 19 PHE QD 1 22 LEU HB2 . . 4.630 3.711 3.329 4.064 . 0 0 "[ . 1 . 2]" 1
276 1 19 PHE QD 1 22 LEU QD . . 3.930 3.697 3.157 4.105 0.175 17 0 "[ . 1 . 2]" 1
277 1 19 PHE QE 1 22 LEU QD . . 5.440 4.702 4.359 5.127 . 0 0 "[ . 1 . 2]" 1
278 1 20 ALA H 1 21 VAL H . . 3.490 2.802 2.757 2.880 . 0 0 "[ . 1 . 2]" 1
279 1 20 ALA H 1 21 VAL HA . . 5.500 5.448 5.412 5.501 0.001 1 0 "[ . 1 . 2]" 1
280 1 20 ALA H 1 22 LEU H . . 4.890 4.233 4.135 4.307 . 0 0 "[ . 1 . 2]" 1
281 1 20 ALA MB 1 21 VAL H . . 3.370 2.500 2.446 2.661 . 0 0 "[ . 1 . 2]" 1
282 1 20 ALA MB 1 21 VAL HA . . 5.500 3.982 3.896 4.052 . 0 0 "[ . 1 . 2]" 1
283 1 20 ALA MB 1 21 VAL MG2 . . 3.960 3.126 3.002 3.311 . 0 0 "[ . 1 . 2]" 1
284 1 20 ALA MB 1 22 LEU H . . 4.940 4.627 4.564 4.675 . 0 0 "[ . 1 . 2]" 1
285 1 20 ALA MB 1 24 ILE H . . 4.840 4.633 4.555 4.749 . 0 0 "[ . 1 . 2]" 1
286 1 21 VAL H 1 21 VAL HB . . 3.150 2.559 2.477 2.665 . 0 0 "[ . 1 . 2]" 1
287 1 21 VAL H 1 21 VAL MG1 . . 3.840 3.831 3.814 3.845 0.005 8 0 "[ . 1 . 2]" 1
288 1 21 VAL H 1 21 VAL MG2 . . 3.110 2.232 2.155 2.319 . 0 0 "[ . 1 . 2]" 1
289 1 21 VAL H 1 22 LEU H . . 3.570 2.774 2.615 2.813 . 0 0 "[ . 1 . 2]" 1
290 1 21 VAL H 1 22 LEU HB2 . . 4.760 4.656 4.578 4.760 . 0 0 "[ . 1 . 2]" 1
291 1 21 VAL H 1 23 SER H . . 4.270 4.272 4.179 4.301 0.031 13 0 "[ . 1 . 2]" 1
292 1 21 VAL HA 1 21 VAL MG1 . . 3.170 2.419 2.367 2.483 . 0 0 "[ . 1 . 2]" 1
293 1 21 VAL HA 1 21 VAL MG2 . . 2.900 2.368 2.321 2.445 . 0 0 "[ . 1 . 2]" 1
294 1 21 VAL HA 1 24 ILE H . . 3.960 3.553 3.485 3.619 . 0 0 "[ . 1 . 2]" 1
295 1 21 VAL HA 1 24 ILE HB . . 3.850 3.935 3.884 3.965 0.115 1 0 "[ . 1 . 2]" 1
296 1 21 VAL HA 1 24 ILE QG . . 5.340 5.165 5.066 5.228 . 0 0 "[ . 1 . 2]" 1
297 1 21 VAL HA 1 24 ILE MG . . 3.200 2.018 1.966 2.053 . 0 0 "[ . 1 . 2]" 1
298 1 21 VAL HA 1 25 LYS H . . 4.450 3.909 3.851 3.980 . 0 0 "[ . 1 . 2]" 1
299 1 21 VAL HA 1 25 LYS QG . . 5.340 4.175 3.922 4.509 . 0 0 "[ . 1 . 2]" 1
300 1 21 VAL HB 1 22 LEU H . . 3.440 2.761 2.710 2.912 . 0 0 "[ . 1 . 2]" 1
301 1 21 VAL HB 1 22 LEU HB2 . . 5.210 4.801 4.668 4.968 . 0 0 "[ . 1 . 2]" 1
302 1 21 VAL HB 1 22 LEU HG . . 5.500 4.175 3.828 4.550 . 0 0 "[ . 1 . 2]" 1
303 1 21 VAL MG1 1 22 LEU H . . 3.810 3.530 3.435 3.600 . 0 0 "[ . 1 . 2]" 1
304 1 21 VAL MG1 1 22 LEU HA . . 3.680 3.682 3.617 3.719 0.039 15 0 "[ . 1 . 2]" 1
305 1 21 VAL MG2 1 22 LEU H . . 4.100 3.999 3.935 4.100 . 20 0 "[ . 1 . 2]" 1
306 1 22 LEU H 1 22 LEU HB2 . . 2.950 2.215 2.137 2.331 . 0 0 "[ . 1 . 2]" 1
307 1 22 LEU H 1 22 LEU HB3 . . 3.690 3.525 3.461 3.587 . 0 0 "[ . 1 . 2]" 1
308 1 22 LEU H 1 22 LEU MD1 . . 5.070 3.541 3.352 3.727 . 0 0 "[ . 1 . 2]" 1
309 1 22 LEU H 1 22 LEU QD . . 4.300 3.323 3.205 3.471 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU H 1 22 LEU MD2 . . 5.070 4.036 3.809 4.169 . 0 0 "[ . 1 . 2]" 1
311 1 22 LEU H 1 23 SER H . . 3.580 2.802 2.704 2.895 . 0 0 "[ . 1 . 2]" 1
312 1 22 LEU H 1 24 ILE H . . 4.830 4.494 4.338 4.539 . 0 0 "[ . 1 . 2]" 1
313 1 22 LEU HA 1 22 LEU QD . . 2.970 2.170 2.118 2.313 . 0 0 "[ . 1 . 2]" 1
314 1 22 LEU HA 1 24 ILE MG . . 5.500 4.693 4.615 4.808 . 0 0 "[ . 1 . 2]" 1
315 1 22 LEU HA 1 25 LYS H . . 4.000 3.707 3.604 3.776 . 0 0 "[ . 1 . 2]" 1
316 1 22 LEU HA 1 25 LYS QB . . 5.340 2.616 2.507 2.771 . 0 0 "[ . 1 . 2]" 1
317 1 22 LEU HA 1 25 LYS HG2 . . 5.500 4.584 4.062 5.533 0.033 20 0 "[ . 1 . 2]" 1
318 1 22 LEU HA 1 25 LYS HG3 . . 5.500 3.608 3.275 4.278 . 0 0 "[ . 1 . 2]" 1
319 1 22 LEU HA 1 26 LYS H . . 4.780 4.614 4.303 4.839 0.059 4 0 "[ . 1 . 2]" 1
320 1 22 LEU HB2 1 22 LEU QD . . 2.890 2.218 2.179 2.243 . 0 0 "[ . 1 . 2]" 1
321 1 22 LEU HB2 1 23 SER H . . 5.500 2.821 2.721 2.963 . 0 0 "[ . 1 . 2]" 1
322 1 22 LEU HB3 1 22 LEU MD1 . . 3.620 2.509 2.439 2.598 . 0 0 "[ . 1 . 2]" 1
323 1 22 LEU HB3 1 22 LEU QD . . 3.140 2.126 2.081 2.143 . 0 0 "[ . 1 . 2]" 1
324 1 22 LEU HB3 1 22 LEU MD2 . . 3.620 2.298 2.252 2.341 . 0 0 "[ . 1 . 2]" 1
325 1 22 LEU HB3 1 23 SER H . . 4.150 3.284 3.063 3.495 . 0 0 "[ . 1 . 2]" 1
326 1 23 SER H 1 23 SER HB2 . . 3.560 2.497 2.294 3.614 0.054 11 0 "[ . 1 . 2]" 1
327 1 23 SER H 1 23 SER HB3 . . 3.560 2.958 2.470 3.611 0.051 6 0 "[ . 1 . 2]" 1
328 1 23 SER H 1 24 ILE MG . . 5.250 4.311 4.169 4.401 . 0 0 "[ . 1 . 2]" 1
329 1 23 SER H 1 25 LYS H . . 4.670 4.199 4.112 4.321 . 0 0 "[ . 1 . 2]" 1
330 1 23 SER HA 1 26 LYS H . . 3.870 3.715 3.547 3.833 . 0 0 "[ . 1 . 2]" 1
331 1 24 ILE H 1 24 ILE MD . . 5.500 4.370 4.301 4.409 . 0 0 "[ . 1 . 2]" 1
332 1 24 ILE H 1 24 ILE QG . . 4.270 4.000 3.974 4.038 . 0 0 "[ . 1 . 2]" 1
333 1 24 ILE H 1 24 ILE MG . . 3.000 2.370 2.248 2.454 . 0 0 "[ . 1 . 2]" 1
334 1 24 ILE H 1 25 LYS H . . 3.450 2.814 2.776 2.861 . 0 0 "[ . 1 . 2]" 1
335 1 24 ILE H 1 26 LYS H . . 4.710 4.394 4.279 4.462 . 0 0 "[ . 1 . 2]" 1
336 1 24 ILE HA 1 24 ILE MD . . 3.730 3.679 3.626 3.749 0.019 16 0 "[ . 1 . 2]" 1
337 1 24 ILE HA 1 24 ILE HG12 . . 3.440 3.037 2.905 3.162 . 0 0 "[ . 1 . 2]" 1
338 1 24 ILE HA 1 24 ILE HG13 . . 3.440 2.266 2.230 2.328 . 0 0 "[ . 1 . 2]" 1
339 1 24 ILE HA 1 24 ILE MG . . 3.250 3.215 3.205 3.223 . 0 0 "[ . 1 . 2]" 1
340 1 24 ILE HA 1 27 LYS H . . 5.500 3.303 3.125 3.517 . 0 0 "[ . 1 . 2]" 1
341 1 24 ILE HA 1 27 LYS HG2 . . 4.580 3.723 2.181 4.463 . 0 0 "[ . 1 . 2]" 1
342 1 24 ILE HA 1 27 LYS QG . . 3.990 3.109 2.128 3.900 . 0 0 "[ . 1 . 2]" 1
343 1 24 ILE HA 1 27 LYS HG3 . . 4.580 3.487 2.426 4.623 0.043 14 0 "[ . 1 . 2]" 1
344 1 24 ILE HB 1 25 LYS H . . 4.030 4.017 3.983 4.054 0.024 2 0 "[ . 1 . 2]" 1
345 1 24 ILE QG 1 25 LYS H . . 4.700 4.157 4.068 4.249 . 0 0 "[ . 1 . 2]" 1
346 1 24 ILE MG 1 25 LYS H . . 3.800 2.333 2.249 2.432 . 0 0 "[ . 1 . 2]" 1
347 1 24 ILE MG 1 25 LYS HA . . 3.780 3.409 3.334 3.452 . 0 0 "[ . 1 . 2]" 1
348 1 24 ILE MG 1 25 LYS QE . . 4.680 4.335 2.925 4.680 0.000 2 0 "[ . 1 . 2]" 1
349 1 24 ILE MG 1 27 LYS H . . 4.780 4.857 4.833 4.901 0.121 20 0 "[ . 1 . 2]" 1
350 1 25 LYS H 1 25 LYS HB2 . . 3.500 2.228 2.139 2.305 . 0 0 "[ . 1 . 2]" 1
351 1 25 LYS H 1 25 LYS QB . . 2.990 2.205 2.119 2.278 . 0 0 "[ . 1 . 2]" 1
352 1 25 LYS H 1 25 LYS HB3 . . 3.500 3.525 3.451 3.567 0.067 4 0 "[ . 1 . 2]" 1
353 1 25 LYS H 1 25 LYS QD . . 4.840 4.421 4.054 4.753 . 0 0 "[ . 1 . 2]" 1
354 1 25 LYS H 1 25 LYS HG2 . . 4.010 3.061 2.681 3.779 . 0 0 "[ . 1 . 2]" 1
355 1 25 LYS H 1 25 LYS HG3 . . 4.010 3.591 2.789 3.932 . 0 0 "[ . 1 . 2]" 1
356 1 25 LYS H 1 26 LYS H . . 3.560 2.802 2.729 2.868 . 0 0 "[ . 1 . 2]" 1
357 1 25 LYS H 1 27 LYS H . . 4.970 4.161 4.012 4.439 . 0 0 "[ . 1 . 2]" 1
358 1 25 LYS HA 1 27 LYS H . . 4.070 3.978 3.779 4.120 0.050 7 0 "[ . 1 . 2]" 1
359 1 25 LYS QB 1 26 LYS H . . 3.920 2.791 2.583 3.059 . 0 0 "[ . 1 . 2]" 1
360 1 26 LYS H 1 26 LYS QB . . 3.190 2.220 2.052 2.427 . 0 0 "[ . 1 . 2]" 1
361 1 26 LYS H 1 26 LYS QG . . 4.080 3.515 2.441 4.038 . 0 0 "[ . 1 . 2]" 1
362 1 26 LYS H 1 27 LYS H . . 3.530 2.637 2.529 2.718 . 0 0 "[ . 1 . 2]" 1
363 1 26 LYS QB 1 27 LYS H . . 5.500 3.191 2.987 3.354 . 0 0 "[ . 1 . 2]" 1
364 1 26 LYS QD 1 27 LYS H . . 5.500 5.105 3.945 5.567 0.067 9 0 "[ . 1 . 2]" 1
365 1 27 LYS H 1 27 LYS QD . . 5.500 4.410 3.774 4.768 . 0 0 "[ . 1 . 2]" 1
366 1 27 LYS H 1 27 LYS HG2 . . 5.500 3.033 2.344 3.861 . 0 0 "[ . 1 . 2]" 1
367 1 27 LYS H 1 27 LYS HG3 . . 5.500 3.376 2.423 4.352 . 0 0 "[ . 1 . 2]" 1
368 1 27 LYS HA 1 27 LYS QE . . 5.500 4.436 1.947 5.561 0.061 4 0 "[ . 1 . 2]" 1
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