NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563217 |
2m60   |
19101 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m60
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 524
_Distance_constraint_stats_list.Viol_count 319
_Distance_constraint_stats_list.Viol_total 79.683
_Distance_constraint_stats_list.Viol_max 0.581
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0125
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 0.023 0.011 16 0 "[ . 1 . 2]"
1 5 ALA 0.021 0.011 16 0 "[ . 1 . 2]"
1 6 LYS 0.003 0.001 16 0 "[ . 1 . 2]"
1 7 LEU 0.074 0.011 15 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 15 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.483 0.032 12 0 "[ . 1 . 2]"
1 11 PHE 0.343 0.032 12 0 "[ . 1 . 2]"
1 12 GLY 0.220 0.021 14 0 "[ . 1 . 2]"
1 13 TRP 0.976 0.041 12 0 "[ . 1 . 2]"
1 14 PRO 0.483 0.032 12 0 "[ . 1 . 2]"
1 15 PHE 0.050 0.006 13 0 "[ . 1 . 2]"
1 16 ILE 0.210 0.013 18 0 "[ . 1 . 2]"
1 17 LYS 0.012 0.003 4 0 "[ . 1 . 2]"
1 18 LYS 0.157 0.013 18 0 "[ . 1 . 2]"
1 19 PHE 0.011 0.004 19 0 "[ . 1 . 2]"
1 20 TYR 0.042 0.011 4 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.094 0.031 19 0 "[ . 1 . 2]"
1 23 ILE 0.038 0.031 19 0 "[ . 1 . 2]"
1 24 MET 0.003 0.003 14 0 "[ . 1 . 2]"
1 25 GLN 0.032 0.011 4 0 "[ . 1 . 2]"
1 26 PHE 1.500 0.581 11 1 "[ . 1+ . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.038 0.007 6 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TRP 0.031 0.002 10 0 "[ . 1 . 2]"
1 32 THR 0.012 0.002 13 0 "[ . 1 . 2]"
1 33 ILE 0.014 0.004 5 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.024 0.017 12 0 "[ . 1 . 2]"
1 36 ILE 0.036 0.006 19 0 "[ . 1 . 2]"
1 37 GLU 0.169 0.020 5 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 TRP 1.440 0.581 11 1 "[ . 1+ . 2]"
1 40 LEU 0.312 0.070 14 0 "[ . 1 . 2]"
1 41 LYS 0.364 0.070 14 0 "[ . 1 . 2]"
1 42 ARG 0.052 0.016 5 0 "[ . 1 . 2]"
1 43 HIS 0.036 0.016 5 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 2 GLY H 1 3 ALA H . . 3.690 2.426 1.994 3.604 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY H 1 4 ILE QG . . 4.520 3.398 2.110 4.473 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 3 ALA H . . 3.230 2.677 2.408 2.870 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA H 1 3 ALA MB . . 3.520 2.412 2.100 2.851 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA H 1 4 ILE H . . 3.360 2.564 1.908 2.954 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA H 1 27 ILE QG . . 5.340 4.610 3.352 5.330 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA MB 1 4 ILE H . . 4.260 3.272 2.513 3.700 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA MB 1 27 ILE QG . . 3.610 3.043 2.379 3.455 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE H 1 4 ILE HB . . 3.600 2.612 2.532 2.745 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE H 1 4 ILE MD . . 4.880 3.313 1.933 3.736 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE H 1 4 ILE HG12 . . 4.020 2.487 1.982 3.818 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE H 1 4 ILE QG . . 3.240 2.255 1.943 2.726 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 4 ILE HG13 . . 4.020 3.440 1.969 4.016 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE HA 1 4 ILE MD . . 4.160 2.387 1.969 3.778 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE HA 1 6 LYS H . . 4.360 4.106 3.805 4.361 0.001 16 0 "[ . 1 . 2]" 1
16 1 4 ILE HA 1 7 LEU H . . 4.140 3.427 3.137 3.873 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE HA 1 7 LEU MD1 . . 3.980 2.459 1.971 3.510 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE HA 1 8 VAL H . . 4.740 4.010 3.689 4.378 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE HA 1 8 VAL MG2 . . 4.850 3.652 2.945 4.180 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE HB 1 5 ALA H . . 4.060 2.906 2.276 4.071 0.011 16 0 "[ . 1 . 2]" 1
21 1 4 ILE MD 1 20 TYR QD . . 4.370 3.905 3.056 4.156 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE MD 1 20 TYR QE . . 5.110 2.762 1.905 3.336 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE QG 1 20 TYR QE . . 4.830 3.479 2.927 4.459 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE MG 1 5 ALA H . . 4.900 3.718 3.267 4.204 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE MG 1 5 ALA HA . . 4.890 3.795 3.457 4.300 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE MG 1 8 VAL H . . 4.710 3.400 3.052 3.890 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE MG 1 20 TYR QD . . 4.720 3.684 3.011 4.153 . 0 0 "[ . 1 . 2]" 1
28 1 5 ALA H 1 5 ALA MB . . 2.790 2.188 2.044 2.476 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA H 1 6 LYS H . . 3.290 2.617 1.899 2.878 . 0 0 "[ . 1 . 2]" 1
30 1 5 ALA H 1 8 VAL H . . 5.130 4.625 4.010 4.834 . 0 0 "[ . 1 . 2]" 1
31 1 5 ALA HA 1 7 LEU H . . 5.120 4.169 3.814 4.467 . 0 0 "[ . 1 . 2]" 1
32 1 5 ALA HA 1 8 VAL H . . 3.980 3.416 3.001 3.778 . 0 0 "[ . 1 . 2]" 1
33 1 5 ALA HA 1 8 VAL HB . . 4.020 2.590 2.067 3.031 . 0 0 "[ . 1 . 2]" 1
34 1 5 ALA HA 1 8 VAL MG2 . . 4.380 3.199 2.456 3.734 . 0 0 "[ . 1 . 2]" 1
35 1 5 ALA HA 1 9 ALA H . . 4.570 3.845 3.413 4.268 . 0 0 "[ . 1 . 2]" 1
36 1 5 ALA MB 1 6 LYS H . . 4.230 2.712 2.386 2.925 . 0 0 "[ . 1 . 2]" 1
37 1 5 ALA MB 1 7 LEU H . . 5.500 4.488 4.304 4.808 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 6 LYS QB . . 3.260 2.483 2.178 2.620 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS H 1 6 LYS QG . . 3.430 2.240 1.937 3.338 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 7 LEU H . . 3.370 2.593 2.330 2.825 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 8 VAL H . . 4.790 4.109 3.892 4.341 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 8 VAL H . . 4.950 4.734 4.452 4.950 0.000 15 0 "[ . 1 . 2]" 1
43 1 6 LYS QB 1 7 LEU H . . 3.580 2.738 2.399 2.896 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS HB2 1 7 LEU H . . 4.380 2.809 2.442 2.978 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS HB3 1 7 LEU H . . 4.380 3.824 3.127 4.073 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU H 1 7 LEU QB . . 3.450 2.658 2.618 2.687 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU H 1 7 LEU MD1 . . 4.120 3.499 3.396 3.616 . 0 0 "[ . 1 . 2]" 1
48 1 7 LEU H 1 7 LEU MD2 . . 4.440 3.131 3.007 3.397 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU H 1 7 LEU HG . . 3.350 2.005 1.949 2.263 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU H 1 8 VAL H . . 3.250 2.391 2.097 2.488 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU H 1 8 VAL MG2 . . 5.390 3.932 3.676 4.113 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU H 1 9 ALA MB . . 5.500 4.367 4.131 4.670 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU HA 1 7 LEU MD2 . . 3.500 2.475 2.441 2.500 . 0 0 "[ . 1 . 2]" 1
54 1 7 LEU HA 1 11 PHE H . . 5.120 4.393 4.294 4.506 . 0 0 "[ . 1 . 2]" 1
55 1 7 LEU HA 1 11 PHE QD . . 4.120 3.750 3.624 3.892 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU HA 1 11 PHE QE . . 4.370 3.597 3.346 3.844 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU QB 1 7 LEU MD1 . . 2.960 2.067 2.016 2.099 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU QB 1 8 VAL H . . 3.700 2.534 2.311 2.799 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU QB 1 8 VAL HA . . 4.280 3.808 3.766 3.864 . 0 0 "[ . 1 . 2]" 1
60 1 7 LEU QB 1 11 PHE H . . 5.260 4.603 4.455 4.687 . 0 0 "[ . 1 . 2]" 1
61 1 7 LEU QB 1 11 PHE QD . . 4.380 2.386 2.302 2.490 . 0 0 "[ . 1 . 2]" 1
62 1 7 LEU QB 1 11 PHE HZ . . 5.200 4.272 4.130 4.505 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU QB 1 37 GLU H . . 4.660 4.657 4.604 4.671 0.011 15 0 "[ . 1 . 2]" 1
64 1 7 LEU QB 1 37 GLU QG . . 4.030 3.395 3.171 3.706 . 0 0 "[ . 1 . 2]" 1
65 1 7 LEU MD1 1 11 PHE QD . . 4.520 3.942 3.758 4.173 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU MD1 1 36 ILE HG12 . . 3.660 2.489 2.227 2.735 . 0 0 "[ . 1 . 2]" 1
67 1 7 LEU MD2 1 8 VAL H . . 5.500 4.590 4.514 4.686 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU MD2 1 11 PHE QD . . 4.560 4.263 4.211 4.284 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU MD2 1 11 PHE QE . . 3.470 2.942 2.844 3.047 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU MD2 1 33 ILE HA . . 4.490 2.559 2.053 2.940 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU MD2 1 36 ILE HG12 . . 3.650 3.474 3.446 3.492 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU MD2 1 37 GLU H . . 4.430 2.685 2.584 2.808 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU MD2 1 37 GLU HA . . 4.470 3.475 3.179 3.682 . 0 0 "[ . 1 . 2]" 1
74 1 7 LEU MD2 1 37 GLU QB . . 4.920 3.541 3.357 3.721 . 0 0 "[ . 1 . 2]" 1
75 1 7 LEU MD2 1 37 GLU QG . . 3.990 2.027 1.910 2.181 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU HG 1 8 VAL H . . 5.050 3.815 3.689 3.955 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL H 1 8 VAL HB . . 3.090 2.530 2.505 2.611 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL H 1 8 VAL MG2 . . 3.500 2.185 2.089 2.315 . 0 0 "[ . 1 . 2]" 1
79 1 8 VAL H 1 9 ALA H . . 3.300 2.574 2.533 2.612 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL H 1 9 ALA HA . . 5.500 5.129 5.016 5.174 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL H 1 9 ALA MB . . 4.470 4.165 4.124 4.197 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL H 1 10 LYS H . . 4.920 4.269 4.207 4.405 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL HA 1 11 PHE H . . 3.810 2.953 2.797 3.277 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL HA 1 12 GLY H . . 3.590 1.966 1.946 2.032 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL HA 1 16 ILE HB . . 4.880 3.278 3.095 3.546 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL HA 1 16 ILE MG . . 4.690 4.174 4.056 4.312 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL HB 1 9 ALA H . . 3.490 2.991 2.824 3.237 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL MG1 1 9 ALA H . . 5.500 3.769 3.655 3.999 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL MG1 1 12 GLY H . . 4.900 2.248 2.128 2.359 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL MG1 1 13 TRP H . . 4.980 3.271 3.190 3.333 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL MG1 1 13 TRP HZ3 . . 4.970 2.435 2.397 2.517 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL MG2 1 9 ALA H . . 5.180 3.958 3.900 3.991 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL MG2 1 12 GLY H . . 5.060 3.616 3.536 3.688 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL MG2 1 13 TRP H . . 5.500 5.099 5.034 5.133 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL MG2 1 13 TRP HE3 . . 3.890 3.425 3.150 3.528 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL MG2 1 13 TRP HZ3 . . 4.300 3.314 3.060 3.490 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL MG2 1 16 ILE HB . . 3.990 2.415 2.118 2.909 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL MG2 1 16 ILE MG . . 3.320 2.101 1.942 2.438 . 0 0 "[ . 1 . 2]" 1
99 1 9 ALA H 1 9 ALA MB . . 3.540 2.085 2.064 2.111 . 0 0 "[ . 1 . 2]" 1
100 1 9 ALA H 1 10 LYS H . . 3.420 2.706 2.669 2.769 . 0 0 "[ . 1 . 2]" 1
101 1 9 ALA MB 1 10 LYS H . . 4.390 2.963 2.879 3.015 . 0 0 "[ . 1 . 2]" 1
102 1 9 ALA MB 1 10 LYS QG . . 5.340 2.864 2.674 3.327 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS H 1 10 LYS HB2 . . 3.470 2.658 2.533 2.703 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS H 1 10 LYS HB3 . . 3.770 3.753 3.707 3.776 0.006 12 0 "[ . 1 . 2]" 1
105 1 10 LYS H 1 11 PHE H . . 3.400 1.998 1.898 2.123 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS H 1 12 GLY H . . 4.710 4.034 3.861 4.275 . 0 0 "[ . 1 . 2]" 1
107 1 10 LYS HA 1 11 PHE QD . . 5.500 5.512 5.498 5.532 0.032 12 0 "[ . 1 . 2]" 1
108 1 10 LYS HB2 1 11 PHE QD . . 4.310 4.029 3.923 4.135 . 0 0 "[ . 1 . 2]" 1
109 1 10 LYS HB2 1 12 GLY H . . 5.500 5.511 5.504 5.521 0.021 14 0 "[ . 1 . 2]" 1
110 1 10 LYS HB3 1 11 PHE QD . . 4.880 4.657 4.396 4.800 . 0 0 "[ . 1 . 2]" 1
111 1 11 PHE H 1 11 PHE HB2 . . 4.110 2.457 2.409 2.544 . 0 0 "[ . 1 . 2]" 1
112 1 11 PHE H 1 11 PHE HB3 . . 4.110 3.607 3.591 3.619 . 0 0 "[ . 1 . 2]" 1
113 1 11 PHE H 1 11 PHE QD . . 3.570 3.277 3.109 3.390 . 0 0 "[ . 1 . 2]" 1
114 1 11 PHE H 1 12 GLY H . . 3.130 2.799 2.584 3.113 . 0 0 "[ . 1 . 2]" 1
115 1 11 PHE HA 1 11 PHE QD . . 3.670 2.022 1.996 2.068 . 0 0 "[ . 1 . 2]" 1
116 1 11 PHE HA 1 15 PHE QD . . 5.150 3.563 3.302 3.782 . 0 0 "[ . 1 . 2]" 1
117 1 11 PHE QB 1 12 GLY H . . 4.080 2.040 1.921 2.184 . 0 0 "[ . 1 . 2]" 1
118 1 11 PHE QB 1 15 PHE QD . . 3.550 2.144 1.988 2.442 . 0 0 "[ . 1 . 2]" 1
119 1 11 PHE QB 1 15 PHE QE . . 4.930 4.045 3.896 4.304 . 0 0 "[ . 1 . 2]" 1
120 1 11 PHE HB2 1 12 GLY H . . 4.680 2.071 1.945 2.222 . 0 0 "[ . 1 . 2]" 1
121 1 11 PHE HB2 1 15 PHE QD . . 4.130 3.820 3.633 4.135 0.005 5 0 "[ . 1 . 2]" 1
122 1 11 PHE HB3 1 12 GLY H . . 4.680 3.074 2.952 3.214 . 0 0 "[ . 1 . 2]" 1
123 1 11 PHE HB3 1 15 PHE QD . . 4.130 2.156 1.997 2.459 . 0 0 "[ . 1 . 2]" 1
124 1 11 PHE QD 1 12 GLY H . . 4.860 4.025 3.920 4.143 . 0 0 "[ . 1 . 2]" 1
125 1 11 PHE QD 1 37 GLU HA . . 4.920 4.907 4.817 4.929 0.009 12 0 "[ . 1 . 2]" 1
126 1 11 PHE QE 1 37 GLU HA . . 3.870 3.007 2.767 3.152 . 0 0 "[ . 1 . 2]" 1
127 1 11 PHE QE 1 37 GLU QB . . 4.810 4.512 4.310 4.612 . 0 0 "[ . 1 . 2]" 1
128 1 11 PHE QE 1 40 LEU MD2 . . 3.430 2.878 2.370 3.280 . 0 0 "[ . 1 . 2]" 1
129 1 11 PHE HZ 1 37 GLU HA . . 4.100 1.998 1.992 2.001 . 0 0 "[ . 1 . 2]" 1
130 1 11 PHE HZ 1 37 GLU QB . . 4.520 4.067 3.677 4.216 . 0 0 "[ . 1 . 2]" 1
131 1 11 PHE HZ 1 37 GLU QG . . 4.670 3.670 2.963 4.286 . 0 0 "[ . 1 . 2]" 1
132 1 11 PHE HZ 1 40 LEU QB . . 4.490 2.281 2.056 2.780 . 0 0 "[ . 1 . 2]" 1
133 1 11 PHE HZ 1 40 LEU MD2 . . 5.360 3.154 2.745 3.757 . 0 0 "[ . 1 . 2]" 1
134 1 11 PHE HZ 1 41 LYS H . . 4.810 4.012 2.940 4.825 0.015 15 0 "[ . 1 . 2]" 1
135 1 12 GLY H 1 13 TRP H . . 4.500 4.415 4.404 4.434 . 0 0 "[ . 1 . 2]" 1
136 1 13 TRP H 1 13 TRP QB . . 3.300 2.751 2.747 2.764 . 0 0 "[ . 1 . 2]" 1
137 1 13 TRP H 1 13 TRP HD1 . . 4.090 3.206 3.170 3.224 . 0 0 "[ . 1 . 2]" 1
138 1 13 TRP H 1 13 TRP HZ3 . . 5.500 5.523 5.512 5.541 0.041 12 0 "[ . 1 . 2]" 1
139 1 13 TRP H 1 14 PRO HB3 . . 5.500 5.520 5.513 5.532 0.032 12 0 "[ . 1 . 2]" 1
140 1 13 TRP H 1 14 PRO HD2 . . 3.480 1.870 1.862 1.886 . 0 0 "[ . 1 . 2]" 1
141 1 13 TRP H 1 14 PRO QD . . 2.910 1.847 1.839 1.861 . 0 0 "[ . 1 . 2]" 1
142 1 13 TRP H 1 14 PRO HD3 . . 3.480 2.862 2.858 2.871 . 0 0 "[ . 1 . 2]" 1
143 1 13 TRP H 1 15 PHE H . . 5.250 3.738 3.727 3.752 . 0 0 "[ . 1 . 2]" 1
144 1 13 TRP H 1 16 ILE HB . . 5.500 5.485 5.385 5.508 0.008 18 0 "[ . 1 . 2]" 1
145 1 13 TRP HA 1 17 LYS H . . 4.320 4.006 3.800 4.192 . 0 0 "[ . 1 . 2]" 1
146 1 13 TRP QB 1 13 TRP HD1 . . 3.210 2.498 2.497 2.501 . 0 0 "[ . 1 . 2]" 1
147 1 13 TRP QB 1 13 TRP HZ3 . . 5.050 5.047 5.031 5.055 0.005 1 0 "[ . 1 . 2]" 1
148 1 13 TRP QB 1 14 PRO QD . . 3.270 1.798 1.794 1.801 . 0 0 "[ . 1 . 2]" 1
149 1 13 TRP HD1 1 14 PRO HB3 . . 5.500 5.483 5.410 5.509 0.009 11 0 "[ . 1 . 2]" 1
150 1 13 TRP HD1 1 14 PRO QD . . 3.870 2.640 2.569 2.667 . 0 0 "[ . 1 . 2]" 1
151 1 13 TRP HE3 1 16 ILE MG . . 3.540 3.094 3.004 3.190 . 0 0 "[ . 1 . 2]" 1
152 1 13 TRP HZ3 1 16 ILE MG . . 4.900 4.460 4.336 4.572 . 0 0 "[ . 1 . 2]" 1
153 1 14 PRO HB2 1 15 PHE QD . . 5.040 5.038 5.005 5.046 0.006 13 0 "[ . 1 . 2]" 1
154 1 14 PRO QD 1 15 PHE H . . 4.070 2.772 2.747 2.779 . 0 0 "[ . 1 . 2]" 1
155 1 14 PRO QD 1 17 LYS H . . 5.350 5.178 5.071 5.278 . 0 0 "[ . 1 . 2]" 1
156 1 14 PRO HG2 1 15 PHE H . . 3.810 3.029 2.975 3.043 . 0 0 "[ . 1 . 2]" 1
157 1 14 PRO HG2 1 15 PHE QD . . 4.820 4.506 4.395 4.595 . 0 0 "[ . 1 . 2]" 1
158 1 14 PRO HG3 1 15 PHE H . . 4.440 4.375 4.334 4.386 . 0 0 "[ . 1 . 2]" 1
159 1 15 PHE H 1 15 PHE HB2 . . 3.410 2.545 2.510 2.588 . 0 0 "[ . 1 . 2]" 1
160 1 15 PHE H 1 15 PHE QB . . 2.980 2.378 2.358 2.400 . 0 0 "[ . 1 . 2]" 1
161 1 15 PHE H 1 15 PHE HB3 . . 3.410 2.856 2.830 2.897 . 0 0 "[ . 1 . 2]" 1
162 1 15 PHE H 1 15 PHE QD . . 5.330 4.238 4.217 4.261 . 0 0 "[ . 1 . 2]" 1
163 1 15 PHE H 1 16 ILE H . . 3.390 2.139 2.041 2.250 . 0 0 "[ . 1 . 2]" 1
164 1 15 PHE H 1 16 ILE HB . . 5.160 4.497 4.392 4.565 . 0 0 "[ . 1 . 2]" 1
165 1 15 PHE H 1 17 LYS H . . 4.470 3.484 3.414 3.531 . 0 0 "[ . 1 . 2]" 1
166 1 15 PHE HA 1 15 PHE QD . . 4.100 2.997 2.947 3.038 . 0 0 "[ . 1 . 2]" 1
167 1 15 PHE HA 1 17 LYS QG . . 5.340 4.103 3.709 4.333 . 0 0 "[ . 1 . 2]" 1
168 1 15 PHE HA 1 18 LYS H . . 4.540 3.658 3.485 3.905 . 0 0 "[ . 1 . 2]" 1
169 1 15 PHE HA 1 18 LYS QB . . 4.230 3.049 2.763 3.645 . 0 0 "[ . 1 . 2]" 1
170 1 15 PHE HA 1 19 PHE QD . . 5.500 5.184 4.254 5.503 0.003 5 0 "[ . 1 . 2]" 1
171 1 15 PHE QB 1 16 ILE H . . 3.500 2.655 2.425 2.876 . 0 0 "[ . 1 . 2]" 1
172 1 15 PHE HB2 1 16 ILE H . . 4.160 3.636 3.484 3.785 . 0 0 "[ . 1 . 2]" 1
173 1 15 PHE HB3 1 16 ILE H . . 4.160 2.731 2.474 2.982 . 0 0 "[ . 1 . 2]" 1
174 1 15 PHE QD 1 16 ILE HA . . 4.590 3.785 3.658 3.900 . 0 0 "[ . 1 . 2]" 1
175 1 15 PHE QD 1 40 LEU MD1 . . 5.500 4.175 3.827 4.681 . 0 0 "[ . 1 . 2]" 1
176 1 15 PHE QE 1 40 LEU QB . . 5.060 4.171 3.680 4.606 . 0 0 "[ . 1 . 2]" 1
177 1 15 PHE QE 1 40 LEU MD1 . . 3.820 2.578 2.066 3.147 . 0 0 "[ . 1 . 2]" 1
178 1 15 PHE HZ 1 40 LEU MD1 . . 4.410 3.686 2.454 4.203 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE H 1 16 ILE HB . . 3.120 2.542 2.456 2.653 . 0 0 "[ . 1 . 2]" 1
180 1 16 ILE H 1 16 ILE MG . . 4.060 2.107 2.041 2.177 . 0 0 "[ . 1 . 2]" 1
181 1 16 ILE H 1 17 LYS H . . 3.180 2.454 2.265 2.645 . 0 0 "[ . 1 . 2]" 1
182 1 16 ILE H 1 17 LYS HB3 . . 4.800 4.661 4.444 4.803 0.003 4 0 "[ . 1 . 2]" 1
183 1 16 ILE H 1 17 LYS QG . . 5.250 3.996 3.790 4.289 . 0 0 "[ . 1 . 2]" 1
184 1 16 ILE H 1 18 LYS H . . 4.930 3.934 3.792 4.141 . 0 0 "[ . 1 . 2]" 1
185 1 16 ILE HA 1 18 LYS QB . . 5.210 4.543 4.303 4.683 . 0 0 "[ . 1 . 2]" 1
186 1 16 ILE HA 1 19 PHE H . . 4.780 3.580 3.371 3.757 . 0 0 "[ . 1 . 2]" 1
187 1 16 ILE HB 1 17 LYS H . . 4.150 3.961 3.949 4.057 . 0 0 "[ . 1 . 2]" 1
188 1 16 ILE HB 1 18 LYS H . . 5.500 5.504 5.429 5.513 0.013 18 0 "[ . 1 . 2]" 1
189 1 16 ILE MG 1 17 LYS H . . 3.990 2.237 2.195 2.398 . 0 0 "[ . 1 . 2]" 1
190 1 16 ILE MG 1 17 LYS HA . . 4.600 3.134 3.080 3.238 . 0 0 "[ . 1 . 2]" 1
191 1 16 ILE MG 1 17 LYS HB3 . . 3.880 3.082 2.998 3.220 . 0 0 "[ . 1 . 2]" 1
192 1 16 ILE MG 1 20 TYR H . . 5.500 5.100 4.918 5.125 . 0 0 "[ . 1 . 2]" 1
193 1 16 ILE MG 1 20 TYR HB2 . . 5.250 3.661 3.207 4.158 . 0 0 "[ . 1 . 2]" 1
194 1 16 ILE MG 1 20 TYR QD . . 3.650 3.306 2.590 3.475 . 0 0 "[ . 1 . 2]" 1
195 1 17 LYS H 1 17 LYS HB2 . . 3.620 3.597 3.576 3.613 . 0 0 "[ . 1 . 2]" 1
196 1 17 LYS H 1 17 LYS HG2 . . 5.090 2.459 2.256 3.322 . 0 0 "[ . 1 . 2]" 1
197 1 17 LYS H 1 17 LYS HG3 . . 5.090 3.295 2.137 3.619 . 0 0 "[ . 1 . 2]" 1
198 1 17 LYS H 1 18 LYS H . . 3.390 2.500 2.449 2.610 . 0 0 "[ . 1 . 2]" 1
199 1 17 LYS H 1 18 LYS QB . . 5.340 4.298 4.138 4.547 . 0 0 "[ . 1 . 2]" 1
200 1 17 LYS HA 1 20 TYR H . . 3.740 3.236 3.011 3.439 . 0 0 "[ . 1 . 2]" 1
201 1 17 LYS HA 1 20 TYR HB2 . . 3.500 2.089 1.995 2.273 . 0 0 "[ . 1 . 2]" 1
202 1 17 LYS HA 1 20 TYR HB3 . . 4.160 3.251 2.696 3.820 . 0 0 "[ . 1 . 2]" 1
203 1 17 LYS HA 1 20 TYR QD . . 4.290 3.812 2.001 4.146 . 0 0 "[ . 1 . 2]" 1
204 1 17 LYS HB3 1 20 TYR HB2 . . 4.670 4.458 4.333 4.671 0.001 7 0 "[ . 1 . 2]" 1
205 1 17 LYS QG 1 18 LYS H . . 3.490 2.548 2.273 2.645 . 0 0 "[ . 1 . 2]" 1
206 1 17 LYS QG 1 18 LYS HA . . 4.110 3.314 3.153 4.032 . 0 0 "[ . 1 . 2]" 1
207 1 17 LYS QG 1 19 PHE H . . 4.810 4.580 4.510 4.715 . 0 0 "[ . 1 . 2]" 1
208 1 18 LYS H 1 18 LYS QB . . 3.280 2.210 2.065 2.399 . 0 0 "[ . 1 . 2]" 1
209 1 18 LYS H 1 18 LYS QG . . 4.770 3.239 2.448 4.054 . 0 0 "[ . 1 . 2]" 1
210 1 18 LYS QB 1 19 PHE QD . . 3.830 2.347 2.036 2.888 . 0 0 "[ . 1 . 2]" 1
211 1 18 LYS HB2 1 19 PHE QD . . 4.530 3.233 2.198 4.407 . 0 0 "[ . 1 . 2]" 1
212 1 18 LYS HB3 1 19 PHE QD . . 4.530 2.519 2.045 3.435 . 0 0 "[ . 1 . 2]" 1
213 1 18 LYS QD 1 19 PHE QE . . 4.430 3.351 2.094 4.301 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS QG 1 19 PHE QD . . 4.730 3.907 2.247 4.727 . 0 0 "[ . 1 . 2]" 1
215 1 19 PHE H 1 20 TYR H . . 3.070 2.390 2.290 2.557 . 0 0 "[ . 1 . 2]" 1
216 1 19 PHE H 1 20 TYR HA . . 4.240 4.168 4.086 4.244 0.004 19 0 "[ . 1 . 2]" 1
217 1 19 PHE H 1 20 TYR HB2 . . 5.090 4.031 3.816 4.319 . 0 0 "[ . 1 . 2]" 1
218 1 19 PHE H 1 20 TYR HB3 . . 5.500 4.872 4.510 5.292 . 0 0 "[ . 1 . 2]" 1
219 1 19 PHE HA 1 19 PHE QD . . 3.720 2.950 2.548 3.096 . 0 0 "[ . 1 . 2]" 1
220 1 19 PHE HA 1 22 GLN H . . 5.040 3.568 3.425 3.845 . 0 0 "[ . 1 . 2]" 1
221 1 19 PHE QD 1 22 GLN QB . . 5.320 3.417 2.677 4.875 . 0 0 "[ . 1 . 2]" 1
222 1 19 PHE QD 1 22 GLN QG . . 4.730 3.921 2.638 4.715 . 0 0 "[ . 1 . 2]" 1
223 1 20 TYR H 1 20 TYR HB2 . . 2.930 2.447 2.095 2.676 . 0 0 "[ . 1 . 2]" 1
224 1 20 TYR H 1 20 TYR HB3 . . 3.240 2.639 2.395 3.138 . 0 0 "[ . 1 . 2]" 1
225 1 20 TYR H 1 21 LYS H . . 3.570 2.599 2.434 2.695 . 0 0 "[ . 1 . 2]" 1
226 1 20 TYR H 1 23 ILE MD . . 4.400 3.513 3.165 4.067 . 0 0 "[ . 1 . 2]" 1
227 1 20 TYR HA 1 20 TYR QD . . 3.790 2.533 2.146 2.971 . 0 0 "[ . 1 . 2]" 1
228 1 20 TYR HA 1 22 GLN H . . 4.240 4.015 3.790 4.242 0.002 14 0 "[ . 1 . 2]" 1
229 1 20 TYR HA 1 23 ILE H . . 4.180 3.368 3.061 3.602 . 0 0 "[ . 1 . 2]" 1
230 1 20 TYR HA 1 23 ILE HB . . 3.810 2.408 2.188 2.648 . 0 0 "[ . 1 . 2]" 1
231 1 20 TYR HA 1 23 ILE MD . . 3.340 2.312 1.970 3.237 . 0 0 "[ . 1 . 2]" 1
232 1 20 TYR HA 1 23 ILE MG . . 4.750 3.882 3.674 4.097 . 0 0 "[ . 1 . 2]" 1
233 1 20 TYR HA 1 24 MET H . . 3.900 3.069 2.753 3.166 . 0 0 "[ . 1 . 2]" 1
234 1 20 TYR HA 1 24 MET QB . . 4.460 3.843 3.227 4.262 . 0 0 "[ . 1 . 2]" 1
235 1 20 TYR HA 1 25 GLN H . . 5.500 5.468 5.190 5.511 0.011 4 0 "[ . 1 . 2]" 1
236 1 20 TYR HB2 1 24 MET H . . 5.500 5.268 5.051 5.498 . 0 0 "[ . 1 . 2]" 1
237 1 20 TYR HB3 1 21 LYS H . . 3.430 2.956 2.609 3.383 . 0 0 "[ . 1 . 2]" 1
238 1 20 TYR QD 1 21 LYS H . . 5.030 4.172 3.583 4.680 . 0 0 "[ . 1 . 2]" 1
239 1 20 TYR QD 1 23 ILE MD . . 4.240 3.489 2.549 3.982 . 0 0 "[ . 1 . 2]" 1
240 1 20 TYR QD 1 23 ILE MG . . 5.160 4.013 3.305 4.424 . 0 0 "[ . 1 . 2]" 1
241 1 20 TYR QD 1 24 MET QB . . 4.390 3.284 2.042 4.088 . 0 0 "[ . 1 . 2]" 1
242 1 20 TYR QE 1 24 MET QB . . 4.310 3.079 2.698 4.313 0.003 14 0 "[ . 1 . 2]" 1
243 1 20 TYR QE 1 24 MET QG . . 4.810 3.339 2.642 4.732 . 0 0 "[ . 1 . 2]" 1
244 1 21 LYS H 1 21 LYS HB2 . . 3.820 2.409 2.152 2.672 . 0 0 "[ . 1 . 2]" 1
245 1 21 LYS H 1 21 LYS QB . . 3.110 2.265 2.132 2.486 . 0 0 "[ . 1 . 2]" 1
246 1 21 LYS H 1 21 LYS HB3 . . 3.820 2.926 2.440 3.594 . 0 0 "[ . 1 . 2]" 1
247 1 21 LYS H 1 21 LYS QG . . 4.630 3.520 2.086 4.059 . 0 0 "[ . 1 . 2]" 1
248 1 21 LYS H 1 22 GLN H . . 3.310 2.600 2.424 2.784 . 0 0 "[ . 1 . 2]" 1
249 1 21 LYS QB 1 22 GLN H . . 3.910 2.767 2.536 2.997 . 0 0 "[ . 1 . 2]" 1
250 1 22 GLN H 1 22 GLN QB . . 3.480 2.420 2.287 2.980 . 0 0 "[ . 1 . 2]" 1
251 1 22 GLN H 1 22 GLN HG2 . . 4.710 3.967 2.223 4.713 0.003 12 0 "[ . 1 . 2]" 1
252 1 22 GLN H 1 22 GLN QG . . 4.080 3.374 2.203 4.085 0.005 8 0 "[ . 1 . 2]" 1
253 1 22 GLN H 1 22 GLN HG3 . . 4.710 3.960 2.641 4.485 . 0 0 "[ . 1 . 2]" 1
254 1 22 GLN H 1 23 ILE H . . 3.280 2.337 2.044 2.480 . 0 0 "[ . 1 . 2]" 1
255 1 22 GLN H 1 23 ILE HG13 . . 4.260 4.060 3.732 4.261 0.001 16 0 "[ . 1 . 2]" 1
256 1 22 GLN HA 1 22 GLN QG . . 3.680 2.693 2.175 3.441 . 0 0 "[ . 1 . 2]" 1
257 1 22 GLN HA 1 25 GLN H . . 4.100 3.551 3.449 3.725 . 0 0 "[ . 1 . 2]" 1
258 1 22 GLN HA 1 25 GLN QB . . 3.840 2.324 2.184 2.558 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLN HA 1 25 GLN QG . . 4.200 3.387 3.009 3.925 . 0 0 "[ . 1 . 2]" 1
260 1 22 GLN HA 1 26 PHE H . . 5.000 4.471 4.033 4.960 . 0 0 "[ . 1 . 2]" 1
261 1 22 GLN QB 1 23 ILE H . . 3.700 2.494 2.228 3.379 . 0 0 "[ . 1 . 2]" 1
262 1 22 GLN QB 1 26 PHE QD . . 5.340 4.182 3.477 5.070 . 0 0 "[ . 1 . 2]" 1
263 1 22 GLN QB 1 39 TRP HH2 . . 5.030 3.494 2.786 4.901 . 0 0 "[ . 1 . 2]" 1
264 1 22 GLN QG 1 23 ILE H . . 4.080 3.795 1.941 4.111 0.031 19 0 "[ . 1 . 2]" 1
265 1 22 GLN QG 1 26 PHE QD . . 5.340 4.422 3.562 5.359 0.019 14 0 "[ . 1 . 2]" 1
266 1 22 GLN QG 1 26 PHE QE . . 4.390 3.128 2.278 4.219 . 0 0 "[ . 1 . 2]" 1
267 1 22 GLN QG 1 26 PHE HZ . . 4.900 3.244 2.237 4.618 . 0 0 "[ . 1 . 2]" 1
268 1 22 GLN QG 1 39 TRP HH2 . . 3.910 2.984 2.140 3.908 . 0 0 "[ . 1 . 2]" 1
269 1 22 GLN QG 1 39 TRP HZ2 . . 4.530 3.314 2.520 4.379 . 0 0 "[ . 1 . 2]" 1
270 1 23 ILE H 1 23 ILE HB . . 3.210 2.568 2.510 2.607 . 0 0 "[ . 1 . 2]" 1
271 1 23 ILE H 1 23 ILE MD . . 4.440 3.109 2.950 3.414 . 0 0 "[ . 1 . 2]" 1
272 1 23 ILE H 1 23 ILE HG13 . . 3.250 2.092 1.955 2.290 . 0 0 "[ . 1 . 2]" 1
273 1 23 ILE H 1 24 MET H . . 3.390 2.944 2.731 3.060 . 0 0 "[ . 1 . 2]" 1
274 1 23 ILE H 1 25 GLN H . . 5.090 3.854 3.723 3.921 . 0 0 "[ . 1 . 2]" 1
275 1 23 ILE HA 1 23 ILE HG13 . . 4.000 2.675 2.589 2.918 . 0 0 "[ . 1 . 2]" 1
276 1 23 ILE HA 1 23 ILE MG . . 3.440 2.372 2.349 2.396 . 0 0 "[ . 1 . 2]" 1
277 1 23 ILE HA 1 26 PHE H . . 4.100 3.412 3.251 3.549 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE HA 1 26 PHE QD . . 3.320 2.010 1.997 2.106 . 0 0 "[ . 1 . 2]" 1
279 1 23 ILE HA 1 26 PHE QE . . 4.610 3.532 2.977 3.944 . 0 0 "[ . 1 . 2]" 1
280 1 23 ILE HA 1 27 ILE H . . 5.090 4.669 4.291 5.066 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE HA 1 36 ILE MG . . 4.810 3.066 2.719 3.493 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE HB 1 24 MET H . . 3.350 2.194 2.111 2.285 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE MD 1 23 ILE MG . . 2.950 2.424 2.029 2.558 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE MD 1 24 MET H . . 5.070 3.914 3.784 4.184 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE MG 1 24 MET H . . 3.810 3.019 2.918 3.118 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE MG 1 24 MET HA . . 4.460 3.207 3.154 3.249 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE MG 1 25 GLN H . . 4.980 4.551 4.528 4.579 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE MG 1 26 PHE H . . 5.500 4.390 4.244 4.646 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE MG 1 26 PHE QD . . 4.210 3.491 3.057 3.762 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE MG 1 27 ILE H . . 5.440 4.313 4.044 4.638 . 0 0 "[ . 1 . 2]" 1
291 1 24 MET H 1 24 MET QB . . 2.850 2.254 2.174 2.344 . 0 0 "[ . 1 . 2]" 1
292 1 24 MET H 1 24 MET QG . . 4.430 3.523 2.460 4.044 . 0 0 "[ . 1 . 2]" 1
293 1 24 MET H 1 25 GLN H . . 3.280 2.705 2.672 2.754 . 0 0 "[ . 1 . 2]" 1
294 1 24 MET HA 1 27 ILE H . . 3.980 3.516 3.343 3.815 . 0 0 "[ . 1 . 2]" 1
295 1 24 MET HA 1 27 ILE HG12 . . 4.340 3.290 2.577 4.337 . 0 0 "[ . 1 . 2]" 1
296 1 24 MET HA 1 27 ILE QG . . 3.510 2.745 2.409 3.126 . 0 0 "[ . 1 . 2]" 1
297 1 24 MET HA 1 27 ILE HG13 . . 4.340 3.167 2.432 3.758 . 0 0 "[ . 1 . 2]" 1
298 1 24 MET HA 1 27 ILE MG . . 5.500 4.502 4.332 4.668 . 0 0 "[ . 1 . 2]" 1
299 1 24 MET QB 1 24 MET QG . . 2.360 2.031 1.988 2.086 . 0 0 "[ . 1 . 2]" 1
300 1 24 MET QB 1 25 GLN H . . 4.070 3.085 2.895 3.592 . 0 0 "[ . 1 . 2]" 1
301 1 24 MET QG 1 25 GLN H . . 5.180 3.643 2.134 4.548 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLN H 1 25 GLN QB . . 3.190 2.130 2.084 2.180 . 0 0 "[ . 1 . 2]" 1
303 1 25 GLN H 1 25 GLN HG2 . . 4.300 3.303 2.840 4.193 . 0 0 "[ . 1 . 2]" 1
304 1 25 GLN H 1 25 GLN QG . . 3.430 3.058 2.776 3.183 . 0 0 "[ . 1 . 2]" 1
305 1 25 GLN H 1 25 GLN HG3 . . 4.300 3.907 3.035 4.153 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLN H 1 26 PHE H . . 3.230 2.464 2.333 2.709 . 0 0 "[ . 1 . 2]" 1
307 1 25 GLN H 1 27 ILE H . . 4.700 4.108 3.939 4.378 . 0 0 "[ . 1 . 2]" 1
308 1 25 GLN QB 1 26 PHE H . . 3.740 2.874 2.570 2.984 . 0 0 "[ . 1 . 2]" 1
309 1 25 GLN QB 1 26 PHE QD . . 4.350 4.129 3.871 4.264 . 0 0 "[ . 1 . 2]" 1
310 1 25 GLN QB 1 26 PHE QE . . 5.030 4.611 4.286 4.810 . 0 0 "[ . 1 . 2]" 1
311 1 25 GLN HB2 1 26 PHE QD . . 5.180 4.794 4.633 4.960 . 0 0 "[ . 1 . 2]" 1
312 1 25 GLN HB3 1 26 PHE QD . . 5.180 4.512 4.127 4.782 . 0 0 "[ . 1 . 2]" 1
313 1 26 PHE H 1 26 PHE QB . . 3.390 2.352 2.283 2.467 . 0 0 "[ . 1 . 2]" 1
314 1 26 PHE H 1 26 PHE QD . . 3.860 3.282 3.123 3.338 . 0 0 "[ . 1 . 2]" 1
315 1 26 PHE H 1 27 ILE H . . 3.420 2.554 2.418 2.891 . 0 0 "[ . 1 . 2]" 1
316 1 26 PHE H 1 36 ILE MD . . 5.500 5.078 4.988 5.123 . 0 0 "[ . 1 . 2]" 1
317 1 26 PHE HA 1 26 PHE QD . . 3.060 2.027 1.999 2.109 . 0 0 "[ . 1 . 2]" 1
318 1 26 PHE HA 1 26 PHE QE . . 4.570 4.262 4.230 4.331 . 0 0 "[ . 1 . 2]" 1
319 1 26 PHE HA 1 29 GLN H . . 4.270 3.389 3.181 3.575 . 0 0 "[ . 1 . 2]" 1
320 1 26 PHE HA 1 29 GLN QB . . 3.860 2.416 2.189 2.579 . 0 0 "[ . 1 . 2]" 1
321 1 26 PHE HA 1 29 GLN QG . . 3.920 3.881 3.698 3.921 0.001 10 0 "[ . 1 . 2]" 1
322 1 26 PHE HA 1 31 TRP H . . 4.970 4.267 3.995 4.537 . 0 0 "[ . 1 . 2]" 1
323 1 26 PHE QB 1 27 ILE H . . 3.600 2.656 2.375 2.790 . 0 0 "[ . 1 . 2]" 1
324 1 26 PHE QB 1 31 TRP H . . 4.740 3.870 3.688 4.152 . 0 0 "[ . 1 . 2]" 1
325 1 26 PHE QB 1 31 TRP HB2 . . 3.870 2.102 1.983 2.416 . 0 0 "[ . 1 . 2]" 1
326 1 26 PHE QB 1 31 TRP HE3 . . 4.830 2.729 2.518 3.154 . 0 0 "[ . 1 . 2]" 1
327 1 26 PHE QB 1 36 ILE MD . . 4.160 2.661 2.290 2.866 . 0 0 "[ . 1 . 2]" 1
328 1 26 PHE HB2 1 27 ILE H . . 4.440 2.732 2.422 2.878 . 0 0 "[ . 1 . 2]" 1
329 1 26 PHE HB3 1 27 ILE H . . 4.440 3.627 3.365 3.753 . 0 0 "[ . 1 . 2]" 1
330 1 26 PHE QD 1 27 ILE H . . 4.780 4.458 4.223 4.548 . 0 0 "[ . 1 . 2]" 1
331 1 26 PHE QD 1 31 TRP HD1 . . 5.080 4.795 4.585 5.071 . 0 0 "[ . 1 . 2]" 1
332 1 26 PHE QD 1 31 TRP HE1 . . 4.700 4.432 4.072 4.701 0.001 5 0 "[ . 1 . 2]" 1
333 1 26 PHE QD 1 31 TRP HE3 . . 4.950 3.461 3.306 3.622 . 0 0 "[ . 1 . 2]" 1
334 1 26 PHE QD 1 36 ILE HA . . 4.720 4.028 3.841 4.206 . 0 0 "[ . 1 . 2]" 1
335 1 26 PHE QD 1 36 ILE HB . . 5.210 5.022 4.534 5.216 0.006 19 0 "[ . 1 . 2]" 1
336 1 26 PHE QD 1 36 ILE MD . . 5.060 3.893 3.697 4.076 . 0 0 "[ . 1 . 2]" 1
337 1 26 PHE QD 1 36 ILE HG12 . . 3.980 2.887 2.367 3.102 . 0 0 "[ . 1 . 2]" 1
338 1 26 PHE QD 1 36 ILE HG13 . . 4.780 2.801 2.575 3.114 . 0 0 "[ . 1 . 2]" 1
339 1 26 PHE QD 1 36 ILE MG . . 3.920 3.032 2.195 3.451 . 0 0 "[ . 1 . 2]" 1
340 1 26 PHE QE 1 31 TRP HH2 . . 4.590 3.330 3.128 3.607 . 0 0 "[ . 1 . 2]" 1
341 1 26 PHE QE 1 31 TRP HZ2 . . 4.940 3.776 3.482 4.163 . 0 0 "[ . 1 . 2]" 1
342 1 26 PHE QE 1 36 ILE HG12 . . 5.150 4.943 4.358 5.152 0.002 20 0 "[ . 1 . 2]" 1
343 1 26 PHE QE 1 36 ILE MG . . 4.800 3.936 3.179 4.251 . 0 0 "[ . 1 . 2]" 1
344 1 26 PHE QE 1 39 TRP HD1 . . 4.890 4.577 4.161 4.885 . 0 0 "[ . 1 . 2]" 1
345 1 26 PHE QE 1 39 TRP HZ2 . . 4.850 4.151 3.594 4.796 . 0 0 "[ . 1 . 2]" 1
346 1 26 PHE HE1 1 39 TRP HE1 . . 4.820 4.705 4.108 5.401 0.581 11 1 "[ . 1+ . 2]" 1
347 1 26 PHE HZ 1 39 TRP HE1 . . 4.190 3.185 2.797 3.696 . 0 0 "[ . 1 . 2]" 1
348 1 26 PHE HZ 1 39 TRP HZ2 . . 4.780 3.481 2.717 4.063 . 0 0 "[ . 1 . 2]" 1
349 1 27 ILE H 1 27 ILE HB . . 3.150 2.592 2.554 2.635 . 0 0 "[ . 1 . 2]" 1
350 1 27 ILE H 1 27 ILE MD . . 5.200 3.175 2.928 3.563 . 0 0 "[ . 1 . 2]" 1
351 1 27 ILE H 1 27 ILE QG . . 3.140 2.006 1.936 2.084 . 0 0 "[ . 1 . 2]" 1
352 1 27 ILE H 1 28 GLY H . . 3.430 2.855 2.720 3.140 . 0 0 "[ . 1 . 2]" 1
353 1 27 ILE H 1 28 GLY QA . . 4.980 4.674 4.574 4.831 . 0 0 "[ . 1 . 2]" 1
354 1 27 ILE H 1 29 GLN H . . 4.840 3.914 3.803 4.059 . 0 0 "[ . 1 . 2]" 1
355 1 27 ILE H 1 29 GLN QB . . 4.840 4.660 4.429 4.830 . 0 0 "[ . 1 . 2]" 1
356 1 27 ILE H 1 31 TRP HB2 . . 4.650 4.454 4.237 4.634 . 0 0 "[ . 1 . 2]" 1
357 1 27 ILE H 1 36 ILE MD . . 4.510 4.162 3.756 4.300 . 0 0 "[ . 1 . 2]" 1
358 1 27 ILE HA 1 27 ILE QG . . 3.560 2.797 2.415 3.000 . 0 0 "[ . 1 . 2]" 1
359 1 27 ILE HA 1 27 ILE MG . . 3.300 2.318 2.295 2.343 . 0 0 "[ . 1 . 2]" 1
360 1 27 ILE HA 1 30 GLY H . . 4.640 3.557 3.335 3.808 . 0 0 "[ . 1 . 2]" 1
361 1 27 ILE HA 1 31 TRP H . . 3.960 3.454 3.150 3.744 . 0 0 "[ . 1 . 2]" 1
362 1 27 ILE QG 1 27 ILE MG . . 2.800 2.234 2.122 2.287 . 0 0 "[ . 1 . 2]" 1
363 1 27 ILE QG 1 28 GLY H . . 4.840 3.901 3.801 3.980 . 0 0 "[ . 1 . 2]" 1
364 1 27 ILE QG 1 36 ILE MD . . 4.130 3.599 3.261 3.908 . 0 0 "[ . 1 . 2]" 1
365 1 27 ILE MG 1 28 GLY H . . 4.530 3.313 2.926 3.532 . 0 0 "[ . 1 . 2]" 1
366 1 27 ILE MG 1 28 GLY QA . . 4.670 3.368 3.190 3.534 . 0 0 "[ . 1 . 2]" 1
367 1 28 GLY H 1 29 GLN H . . 3.580 2.634 2.508 2.816 . 0 0 "[ . 1 . 2]" 1
368 1 29 GLN H 1 29 GLN QB . . 3.550 2.239 2.229 2.251 . 0 0 "[ . 1 . 2]" 1
369 1 29 GLN H 1 29 GLN QG . . 3.950 3.946 3.922 3.957 0.007 6 0 "[ . 1 . 2]" 1
370 1 29 GLN H 1 30 GLY H . . 3.460 2.423 2.317 2.735 . 0 0 "[ . 1 . 2]" 1
371 1 29 GLN H 1 31 TRP H . . 4.460 3.773 3.669 4.133 . 0 0 "[ . 1 . 2]" 1
372 1 29 GLN HA 1 29 GLN QE . . 4.800 3.851 3.428 4.786 . 0 0 "[ . 1 . 2]" 1
373 1 29 GLN HA 1 29 GLN QG . . 3.530 2.893 2.481 3.067 . 0 0 "[ . 1 . 2]" 1
374 1 29 GLN HA 1 31 TRP H . . 5.430 4.996 4.883 5.160 . 0 0 "[ . 1 . 2]" 1
375 1 29 GLN QB 1 31 TRP H . . 4.750 3.213 3.087 3.363 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLN QE 1 31 TRP HE1 . . 5.030 4.035 2.568 5.006 . 0 0 "[ . 1 . 2]" 1
377 1 29 GLN QG 1 30 GLY H . . 4.580 3.686 3.591 3.746 . 0 0 "[ . 1 . 2]" 1
378 1 29 GLN QG 1 31 TRP H . . 4.530 3.740 3.532 3.899 . 0 0 "[ . 1 . 2]" 1
379 1 29 GLN QG 1 31 TRP HD1 . . 3.780 2.471 2.198 2.636 . 0 0 "[ . 1 . 2]" 1
380 1 29 GLN QG 1 31 TRP HE1 . . 4.370 2.798 2.427 3.272 . 0 0 "[ . 1 . 2]" 1
381 1 30 GLY H 1 31 TRP H . . 3.330 2.040 1.986 2.131 . 0 0 "[ . 1 . 2]" 1
382 1 30 GLY H 1 31 TRP HD1 . . 4.690 4.223 3.958 4.574 . 0 0 "[ . 1 . 2]" 1
383 1 30 GLY QA 1 31 TRP HD1 . . 5.250 3.988 3.808 4.184 . 0 0 "[ . 1 . 2]" 1
384 1 31 TRP H 1 31 TRP HB2 . . 3.790 2.218 2.178 2.271 . 0 0 "[ . 1 . 2]" 1
385 1 31 TRP H 1 31 TRP HB3 . . 4.050 3.513 3.483 3.551 . 0 0 "[ . 1 . 2]" 1
386 1 31 TRP H 1 31 TRP HD1 . . 3.300 2.989 2.863 3.243 . 0 0 "[ . 1 . 2]" 1
387 1 31 TRP H 1 31 TRP HE3 . . 5.500 5.499 5.486 5.502 0.002 10 0 "[ . 1 . 2]" 1
388 1 31 TRP H 1 36 ILE MD . . 5.500 4.341 3.977 4.585 . 0 0 "[ . 1 . 2]" 1
389 1 31 TRP HA 1 31 TRP HD1 . . 4.100 2.440 2.335 2.490 . 0 0 "[ . 1 . 2]" 1
390 1 31 TRP HB2 1 32 THR H . . 4.280 4.241 4.012 4.282 0.002 13 0 "[ . 1 . 2]" 1
391 1 31 TRP HB2 1 36 ILE MD . . 4.520 2.860 2.524 3.159 . 0 0 "[ . 1 . 2]" 1
392 1 31 TRP HB3 1 31 TRP HE3 . . 3.700 2.590 2.569 2.615 . 0 0 "[ . 1 . 2]" 1
393 1 31 TRP HB3 1 31 TRP HZ3 . . 5.110 4.969 4.953 4.990 . 0 0 "[ . 1 . 2]" 1
394 1 31 TRP HB3 1 32 THR H . . 3.870 3.101 2.693 3.210 . 0 0 "[ . 1 . 2]" 1
395 1 31 TRP HB3 1 36 ILE MD . . 4.260 2.231 1.974 2.432 . 0 0 "[ . 1 . 2]" 1
396 1 31 TRP HB3 1 36 ILE HG13 . . 3.910 3.588 3.340 3.761 . 0 0 "[ . 1 . 2]" 1
397 1 31 TRP HD1 1 32 THR H . . 4.630 4.572 4.429 4.632 0.002 12 0 "[ . 1 . 2]" 1
398 1 31 TRP HE3 1 35 GLN QG . . 5.180 4.157 3.832 4.527 . 0 0 "[ . 1 . 2]" 1
399 1 31 TRP HE3 1 36 ILE H . . 4.300 3.747 3.547 3.954 . 0 0 "[ . 1 . 2]" 1
400 1 31 TRP HE3 1 36 ILE HA . . 3.640 3.347 3.120 3.562 . 0 0 "[ . 1 . 2]" 1
401 1 31 TRP HE3 1 36 ILE MD . . 3.900 2.862 2.565 3.031 . 0 0 "[ . 1 . 2]" 1
402 1 31 TRP HE3 1 36 ILE HG12 . . 4.160 4.028 3.761 4.161 0.001 6 0 "[ . 1 . 2]" 1
403 1 31 TRP HE3 1 36 ILE HG13 . . 3.640 2.384 2.101 2.530 . 0 0 "[ . 1 . 2]" 1
404 1 31 TRP HE3 1 36 ILE MG . . 5.500 4.520 4.297 4.681 . 0 0 "[ . 1 . 2]" 1
405 1 31 TRP HE3 1 39 TRP HB2 . . 5.080 4.051 3.733 4.288 . 0 0 "[ . 1 . 2]" 1
406 1 31 TRP HH2 1 39 TRP HB2 . . 4.940 4.163 3.867 4.418 . 0 0 "[ . 1 . 2]" 1
407 1 31 TRP HH2 1 39 TRP HD1 . . 3.530 2.724 2.241 3.316 . 0 0 "[ . 1 . 2]" 1
408 1 31 TRP HH2 1 39 TRP HE1 . . 5.020 3.687 3.311 4.185 . 0 0 "[ . 1 . 2]" 1
409 1 31 TRP HZ3 1 36 ILE HA . . 4.120 3.603 3.308 3.847 . 0 0 "[ . 1 . 2]" 1
410 1 31 TRP HZ3 1 39 TRP H . . 4.940 4.859 4.612 4.942 0.002 12 0 "[ . 1 . 2]" 1
411 1 31 TRP HZ3 1 39 TRP HB2 . . 3.580 2.507 2.252 2.780 . 0 0 "[ . 1 . 2]" 1
412 1 31 TRP HZ3 1 39 TRP HB3 . . 4.090 3.264 2.920 3.629 . 0 0 "[ . 1 . 2]" 1
413 1 31 TRP HZ3 1 39 TRP HD1 . . 3.910 2.839 2.175 3.374 . 0 0 "[ . 1 . 2]" 1
414 1 31 TRP HZ3 1 39 TRP HE1 . . 5.360 4.329 4.052 4.723 . 0 0 "[ . 1 . 2]" 1
415 1 32 THR H 1 32 THR MG . . 3.310 2.249 1.940 2.799 . 0 0 "[ . 1 . 2]" 1
416 1 32 THR H 1 33 ILE H . . 4.900 4.588 4.484 4.629 . 0 0 "[ . 1 . 2]" 1
417 1 32 THR H 1 34 ASP H . . 5.440 4.937 4.689 5.440 . 0 0 "[ . 1 . 2]" 1
418 1 32 THR HA 1 32 THR MG . . 3.140 2.345 2.129 2.488 . 0 0 "[ . 1 . 2]" 1
419 1 32 THR HA 1 33 ILE H . . 2.870 2.482 2.328 2.677 . 0 0 "[ . 1 . 2]" 1
420 1 32 THR HA 1 34 ASP H . . 5.330 4.257 4.000 4.749 . 0 0 "[ . 1 . 2]" 1
421 1 32 THR MG 1 33 ILE H . . 5.160 3.696 3.227 3.866 . 0 0 "[ . 1 . 2]" 1
422 1 32 THR MG 1 34 ASP H . . 5.340 4.224 4.031 4.481 . 0 0 "[ . 1 . 2]" 1
423 1 32 THR MG 1 35 GLN H . . 5.500 4.215 4.012 4.579 . 0 0 "[ . 1 . 2]" 1
424 1 33 ILE H 1 33 ILE HB . . 3.150 2.561 2.518 2.618 . 0 0 "[ . 1 . 2]" 1
425 1 33 ILE H 1 33 ILE QG . . 3.710 2.489 1.990 2.852 . 0 0 "[ . 1 . 2]" 1
426 1 33 ILE H 1 34 ASP H . . 3.450 2.603 2.512 2.701 . 0 0 "[ . 1 . 2]" 1
427 1 33 ILE H 1 35 GLN H . . 5.090 4.048 3.812 4.257 . 0 0 "[ . 1 . 2]" 1
428 1 33 ILE H 1 36 ILE MD . . 5.030 4.412 4.151 4.581 . 0 0 "[ . 1 . 2]" 1
429 1 33 ILE HA 1 35 GLN H . . 5.410 4.164 3.564 4.392 . 0 0 "[ . 1 . 2]" 1
430 1 33 ILE HA 1 36 ILE H . . 3.930 3.904 3.773 3.934 0.004 5 0 "[ . 1 . 2]" 1
431 1 33 ILE HA 1 36 ILE HB . . 4.250 3.962 3.741 4.140 . 0 0 "[ . 1 . 2]" 1
432 1 33 ILE HA 1 36 ILE MD . . 3.640 2.729 2.438 2.980 . 0 0 "[ . 1 . 2]" 1
433 1 33 ILE HA 1 37 GLU H . . 4.630 4.345 3.979 4.599 . 0 0 "[ . 1 . 2]" 1
434 1 33 ILE HB 1 34 ASP H . . 3.710 2.896 2.534 3.011 . 0 0 "[ . 1 . 2]" 1
435 1 33 ILE QG 1 34 ASP H . . 4.600 4.290 4.050 4.417 . 0 0 "[ . 1 . 2]" 1
436 1 33 ILE MG 1 34 ASP HA . . 5.500 3.611 3.412 3.715 . 0 0 "[ . 1 . 2]" 1
437 1 33 ILE MG 1 37 GLU H . . 5.500 4.048 3.614 4.204 . 0 0 "[ . 1 . 2]" 1
438 1 33 ILE MG 1 37 GLU QG . . 4.510 2.651 2.030 3.012 . 0 0 "[ . 1 . 2]" 1
439 1 34 ASP H 1 35 GLN H . . 3.410 2.412 2.305 2.608 . 0 0 "[ . 1 . 2]" 1
440 1 34 ASP H 1 36 ILE H . . 4.800 4.412 4.267 4.690 . 0 0 "[ . 1 . 2]" 1
441 1 34 ASP HA 1 36 ILE H . . 5.200 4.403 4.176 4.677 . 0 0 "[ . 1 . 2]" 1
442 1 34 ASP HA 1 37 GLU H . . 4.450 3.527 3.302 3.958 . 0 0 "[ . 1 . 2]" 1
443 1 34 ASP HA 1 37 GLU HB2 . . 4.900 2.340 2.153 2.946 . 0 0 "[ . 1 . 2]" 1
444 1 34 ASP HA 1 37 GLU HB3 . . 4.900 3.814 3.587 4.304 . 0 0 "[ . 1 . 2]" 1
445 1 34 ASP HA 1 38 LYS H . . 4.810 3.798 3.591 4.006 . 0 0 "[ . 1 . 2]" 1
446 1 34 ASP QB 1 35 GLN H . . 4.040 2.946 2.694 3.593 . 0 0 "[ . 1 . 2]" 1
447 1 35 GLN H 1 35 GLN QB . . 3.500 2.223 2.086 2.324 . 0 0 "[ . 1 . 2]" 1
448 1 35 GLN H 1 35 GLN QG . . 3.530 2.813 2.430 3.547 0.017 12 0 "[ . 1 . 2]" 1
449 1 35 GLN H 1 36 ILE H . . 3.360 2.793 2.318 2.930 . 0 0 "[ . 1 . 2]" 1
450 1 35 GLN H 1 37 GLU H . . 4.820 4.297 3.957 4.467 . 0 0 "[ . 1 . 2]" 1
451 1 35 GLN HA 1 35 GLN QG . . 3.720 2.471 2.174 2.655 . 0 0 "[ . 1 . 2]" 1
452 1 35 GLN HA 1 38 LYS H . . 4.130 3.951 3.842 4.086 . 0 0 "[ . 1 . 2]" 1
453 1 35 GLN HA 1 38 LYS QB . . 3.880 3.209 3.031 3.490 . 0 0 "[ . 1 . 2]" 1
454 1 35 GLN QG 1 36 ILE H . . 4.970 4.260 4.121 4.439 . 0 0 "[ . 1 . 2]" 1
455 1 36 ILE H 1 36 ILE HB . . 3.350 2.510 2.497 2.523 . 0 0 "[ . 1 . 2]" 1
456 1 36 ILE H 1 36 ILE MD . . 4.010 1.978 1.911 2.064 . 0 0 "[ . 1 . 2]" 1
457 1 36 ILE H 1 36 ILE HG12 . . 4.090 3.879 3.846 3.911 . 0 0 "[ . 1 . 2]" 1
458 1 36 ILE H 1 36 ILE HG13 . . 3.240 3.002 2.902 3.128 . 0 0 "[ . 1 . 2]" 1
459 1 36 ILE H 1 37 GLU H . . 3.280 2.624 2.504 2.719 . 0 0 "[ . 1 . 2]" 1
460 1 36 ILE H 1 38 LYS H . . 4.700 3.870 3.796 4.009 . 0 0 "[ . 1 . 2]" 1
461 1 36 ILE HA 1 36 ILE MG . . 3.630 2.321 2.292 2.378 . 0 0 "[ . 1 . 2]" 1
462 1 36 ILE HA 1 39 TRP H . . 4.230 3.042 2.960 3.179 . 0 0 "[ . 1 . 2]" 1
463 1 36 ILE HA 1 40 LEU H . . 4.850 3.813 3.607 4.219 . 0 0 "[ . 1 . 2]" 1
464 1 36 ILE HB 1 36 ILE MD . . 3.600 2.112 2.067 2.160 . 0 0 "[ . 1 . 2]" 1
465 1 36 ILE HB 1 37 GLU H . . 3.520 2.375 2.302 2.468 . 0 0 "[ . 1 . 2]" 1
466 1 36 ILE MD 1 37 GLU H . . 5.500 3.545 3.448 3.620 . 0 0 "[ . 1 . 2]" 1
467 1 36 ILE HG12 1 36 ILE MG . . 3.140 2.021 1.979 2.154 . 0 0 "[ . 1 . 2]" 1
468 1 36 ILE HG12 1 37 GLU H . . 5.180 4.940 4.886 5.009 . 0 0 "[ . 1 . 2]" 1
469 1 36 ILE MG 1 37 GLU H . . 4.130 3.278 3.158 3.367 . 0 0 "[ . 1 . 2]" 1
470 1 36 ILE MG 1 37 GLU HA . . 4.790 3.451 3.288 3.542 . 0 0 "[ . 1 . 2]" 1
471 1 36 ILE MG 1 39 TRP HB3 . . 4.970 3.272 3.085 3.504 . 0 0 "[ . 1 . 2]" 1
472 1 36 ILE MG 1 39 TRP HE3 . . 4.640 3.325 2.884 4.236 . 0 0 "[ . 1 . 2]" 1
473 1 36 ILE MG 1 40 LEU H . . 5.500 3.646 3.403 3.986 . 0 0 "[ . 1 . 2]" 1
474 1 37 GLU H 1 37 GLU QG . . 3.380 2.556 2.068 2.772 . 0 0 "[ . 1 . 2]" 1
475 1 37 GLU H 1 38 LYS H . . 3.310 2.759 2.730 2.788 . 0 0 "[ . 1 . 2]" 1
476 1 37 GLU H 1 38 LYS QB . . 5.130 4.685 4.559 4.832 . 0 0 "[ . 1 . 2]" 1
477 1 37 GLU H 1 39 TRP H . . 5.000 4.031 3.949 4.257 . 0 0 "[ . 1 . 2]" 1
478 1 37 GLU HA 1 40 LEU H . . 4.000 4.000 3.979 4.020 0.020 5 0 "[ . 1 . 2]" 1
479 1 37 GLU HA 1 40 LEU QB . . 4.170 3.628 3.274 3.978 . 0 0 "[ . 1 . 2]" 1
480 1 37 GLU QB 1 38 LYS H . . 4.400 2.841 2.702 2.912 . 0 0 "[ . 1 . 2]" 1
481 1 37 GLU QG 1 38 LYS H . . 4.860 4.360 4.124 4.451 . 0 0 "[ . 1 . 2]" 1
482 1 38 LYS H 1 38 LYS HB2 . . 3.710 2.528 2.348 2.839 . 0 0 "[ . 1 . 2]" 1
483 1 38 LYS H 1 38 LYS QB . . 2.950 2.342 2.310 2.423 . 0 0 "[ . 1 . 2]" 1
484 1 38 LYS H 1 38 LYS HB3 . . 3.710 3.100 2.476 3.653 . 0 0 "[ . 1 . 2]" 1
485 1 38 LYS H 1 38 LYS QD . . 4.640 4.203 3.684 4.593 . 0 0 "[ . 1 . 2]" 1
486 1 38 LYS H 1 38 LYS QG . . 4.470 3.368 2.621 4.088 . 0 0 "[ . 1 . 2]" 1
487 1 38 LYS H 1 39 TRP H . . 3.300 2.219 2.135 2.318 . 0 0 "[ . 1 . 2]" 1
488 1 38 LYS H 1 40 LEU H . . 4.690 3.984 3.775 4.149 . 0 0 "[ . 1 . 2]" 1
489 1 38 LYS HA 1 40 LEU H . . 4.870 4.273 4.072 4.608 . 0 0 "[ . 1 . 2]" 1
490 1 38 LYS HA 1 41 LYS H . . 4.040 3.638 3.275 3.903 . 0 0 "[ . 1 . 2]" 1
491 1 38 LYS HA 1 41 LYS QB . . 4.450 2.907 1.981 4.429 . 0 0 "[ . 1 . 2]" 1
492 1 38 LYS QB 1 39 TRP H . . 3.370 2.842 2.554 2.919 . 0 0 "[ . 1 . 2]" 1
493 1 39 TRP H 1 39 TRP HB2 . . 3.330 2.632 2.498 2.729 . 0 0 "[ . 1 . 2]" 1
494 1 39 TRP H 1 39 TRP HB3 . . 3.390 2.451 2.385 2.575 . 0 0 "[ . 1 . 2]" 1
495 1 39 TRP H 1 39 TRP HD1 . . 5.240 5.082 4.922 5.162 . 0 0 "[ . 1 . 2]" 1
496 1 39 TRP H 1 40 LEU H . . 3.300 2.598 2.486 2.694 . 0 0 "[ . 1 . 2]" 1
497 1 39 TRP HB2 1 39 TRP HD1 . . 3.300 2.637 2.597 2.700 . 0 0 "[ . 1 . 2]" 1
498 1 39 TRP HB2 1 40 LEU H . . 4.110 3.963 3.785 4.066 . 0 0 "[ . 1 . 2]" 1
499 1 39 TRP HB3 1 39 TRP HE3 . . 3.790 2.624 2.528 2.703 . 0 0 "[ . 1 . 2]" 1
500 1 39 TRP HB3 1 40 LEU H . . 3.670 2.691 2.501 2.851 . 0 0 "[ . 1 . 2]" 1
501 1 39 TRP HE3 1 40 LEU H . . 3.830 2.834 2.595 3.200 . 0 0 "[ . 1 . 2]" 1
502 1 39 TRP HE3 1 40 LEU HA . . 3.260 2.717 2.153 3.261 0.001 15 0 "[ . 1 . 2]" 1
503 1 39 TRP HE3 1 40 LEU MD1 . . 5.500 3.535 2.841 4.100 . 0 0 "[ . 1 . 2]" 1
504 1 39 TRP HZ3 1 40 LEU HA . . 4.530 3.493 2.987 4.180 . 0 0 "[ . 1 . 2]" 1
505 1 40 LEU H 1 40 LEU QB . . 3.210 2.230 2.050 2.416 . 0 0 "[ . 1 . 2]" 1
506 1 40 LEU H 1 40 LEU MD1 . . 5.370 4.172 3.964 4.226 . 0 0 "[ . 1 . 2]" 1
507 1 40 LEU H 1 41 LYS H . . 3.380 2.615 2.224 2.950 . 0 0 "[ . 1 . 2]" 1
508 1 40 LEU H 1 42 ARG H . . 4.900 4.297 3.773 4.905 0.005 14 0 "[ . 1 . 2]" 1
509 1 40 LEU HA 1 40 LEU MD1 . . 4.060 2.105 1.931 2.397 . 0 0 "[ . 1 . 2]" 1
510 1 40 LEU HA 1 42 ARG H . . 4.620 4.031 3.107 4.429 . 0 0 "[ . 1 . 2]" 1
511 1 40 LEU HA 1 43 HIS H . . 4.700 3.805 2.938 4.634 . 0 0 "[ . 1 . 2]" 1
512 1 40 LEU QB 1 41 LYS H . . 3.750 2.706 2.109 3.820 0.070 14 0 "[ . 1 . 2]" 1
513 1 40 LEU MD1 1 41 LYS H . . 4.540 4.105 3.435 4.295 . 0 0 "[ . 1 . 2]" 1
514 1 41 LYS H 1 41 LYS QB . . 3.110 2.418 2.169 3.149 0.039 3 0 "[ . 1 . 2]" 1
515 1 41 LYS H 1 41 LYS QG . . 4.390 3.381 2.290 4.252 . 0 0 "[ . 1 . 2]" 1
516 1 41 LYS H 1 42 ARG H . . 3.450 2.706 2.078 3.362 . 0 0 "[ . 1 . 2]" 1
517 1 41 LYS QB 1 42 ARG H . . 4.410 3.151 2.620 3.898 . 0 0 "[ . 1 . 2]" 1
518 1 42 ARG H 1 42 ARG QB . . 3.280 2.580 2.176 3.239 . 0 0 "[ . 1 . 2]" 1
519 1 42 ARG H 1 43 HIS H . . 3.500 2.608 1.916 3.165 . 0 0 "[ . 1 . 2]" 1
520 1 42 ARG H 1 43 HIS HA . . 5.120 4.884 4.185 5.136 0.016 5 0 "[ . 1 . 2]" 1
521 1 42 ARG H 1 43 HIS QB . . 4.870 4.442 3.898 4.792 . 0 0 "[ . 1 . 2]" 1
522 1 42 ARG HA 1 42 ARG QD . . 4.830 3.653 2.134 4.406 . 0 0 "[ . 1 . 2]" 1
523 1 42 ARG QB 1 42 ARG QD . . 3.260 2.246 2.063 2.830 . 0 0 "[ . 1 . 2]" 1
524 1 42 ARG QB 1 43 HIS H . . 4.300 3.196 2.140 4.045 . 0 0 "[ . 1 . 2]" 1
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