NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619900 |
5tgw   |
30185 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tgw
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 751
_Distance_constraint_stats_list.Viol_count 481
_Distance_constraint_stats_list.Viol_total 915.179
_Distance_constraint_stats_list.Viol_max 0.488
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0951
_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 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.462 0.214 2 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.498 0.090 20 0 "[ . 1 . 2]"
1 14 VAL 0.452 0.268 15 0 "[ . 1 . 2]"
1 15 GLN 0.698 0.407 7 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.672 0.132 20 0 "[ . 1 . 2]"
1 18 GLN 2.379 0.268 15 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.224 0.079 9 0 "[ . 1 . 2]"
1 21 ARG 3.125 0.236 8 0 "[ . 1 . 2]"
1 22 GLU 1.617 0.254 20 0 "[ . 1 . 2]"
1 23 ILE 0.447 0.119 16 0 "[ . 1 . 2]"
1 24 PHE 0.756 0.133 11 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 1.021 0.190 16 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.077 0.035 10 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.014 0.014 17 0 "[ . 1 . 2]"
1 32 LEU 1.306 0.119 16 0 "[ . 1 . 2]"
1 33 GLU 0.918 0.151 11 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 1.299 0.151 17 0 "[ . 1 . 2]"
1 36 LEU 0.896 0.176 6 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 5.358 0.294 8 0 "[ . 1 . 2]"
1 39 ILE 0.947 0.338 16 0 "[ . 1 . 2]"
1 40 GLU 2.241 0.208 14 0 "[ . 1 . 2]"
1 41 GLU 1.236 0.140 5 0 "[ . 1 . 2]"
1 42 LEU 0.801 0.088 1 0 "[ . 1 . 2]"
1 43 ILE 1.538 0.132 20 0 "[ . 1 . 2]"
1 44 GLN 1.126 0.213 15 0 "[ . 1 . 2]"
1 45 LYS 0.027 0.027 18 0 "[ . 1 . 2]"
1 46 HIS 0.708 0.214 2 0 "[ . 1 . 2]"
1 47 ARG 0.067 0.033 8 0 "[ . 1 . 2]"
1 48 GLN 1.060 0.123 2 0 "[ . 1 . 2]"
1 49 LEU 0.251 0.197 10 0 "[ . 1 . 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TRP 4.939 0.338 16 0 "[ . 1 . 2]"
1 69 VAL 0.204 0.189 16 0 "[ . 1 . 2]"
1 70 GLN 0.777 0.123 4 0 "[ . 1 . 2]"
1 71 LEU 4.508 0.385 17 0 "[ . 1 . 2]"
1 72 PHE 0.015 0.015 7 0 "[ . 1 . 2]"
1 73 GLN 0.063 0.016 6 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PHE 0.284 0.069 19 0 "[ . 1 . 2]"
1 76 ARG 0.087 0.087 20 0 "[ . 1 . 2]"
1 77 GLU 0.042 0.027 2 0 "[ . 1 . 2]"
1 78 ALA 0.053 0.038 12 0 "[ . 1 . 2]"
1 79 ILE 0.087 0.087 20 0 "[ . 1 . 2]"
1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LYS 0.824 0.201 8 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASP 0.053 0.038 12 0 "[ . 1 . 2]"
1 84 LYS 2.495 0.203 12 0 "[ . 1 . 2]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 2.838 0.310 10 0 "[ . 1 . 2]"
1 88 GLU 0.747 0.133 11 0 "[ . 1 . 2]"
1 89 GLN 1.529 0.164 5 0 "[ . 1 . 2]"
1 90 LEU 0.370 0.310 10 0 "[ . 1 . 2]"
1 91 LEU 0.293 0.079 9 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 0.395 0.097 13 0 "[ . 1 . 2]"
1 94 LEU 0.541 0.116 14 0 "[ . 1 . 2]"
1 95 GLU 0.066 0.022 12 0 "[ . 1 . 2]"
1 96 GLN 2.019 0.322 16 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.551 0.141 8 0 "[ . 1 . 2]"
1 99 GLN 1.966 0.231 10 0 "[ . 1 . 2]"
1 100 LYS 0.337 0.077 5 0 "[ . 1 . 2]"
1 101 ILE 0.444 0.074 12 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 1.936 0.369 7 0 "[ . 1 . 2]"
1 104 LEU 0.488 0.488 19 0 "[ . 1 . 2]"
1 105 ALA 0.172 0.065 20 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 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 8 GLN HA 1 11 ASP QB 4.780 . 7.770 2.649 1.960 3.184 . 0 0 "[ . 1 . 2]" 1
2 1 9 THR HA 1 13 LEU H 3.700 . 5.600 4.249 3.887 4.931 . 0 0 "[ . 1 . 2]" 1
3 1 9 THR MG 1 10 GLY H 3.580 . 5.360 3.552 3.359 3.707 . 0 0 "[ . 1 . 2]" 1
4 1 9 THR MG 1 13 LEU MD1 3.230 . 4.670 3.355 2.711 4.372 . 0 0 "[ . 1 . 2]" 1
5 1 9 THR MG 1 45 LYS QB 3.120 . 4.440 2.907 1.981 4.131 . 0 0 "[ . 1 . 2]" 1
6 1 9 THR MG 1 46 HIS H 3.420 . 5.050 3.140 2.391 4.439 . 0 0 "[ . 1 . 2]" 1
7 1 9 THR MG 1 46 HIS HA 2.830 . 3.870 2.521 2.003 3.068 . 0 0 "[ . 1 . 2]" 1
8 1 9 THR MG 1 46 HIS QB 3.740 . 5.690 2.356 1.793 3.044 . 0 0 "[ . 1 . 2]" 1
9 1 9 THR MG 1 46 HIS HD2 3.190 . 4.590 3.201 1.866 4.804 0.214 2 0 "[ . 1 . 2]" 1
10 1 9 THR MG 1 49 LEU MD1 3.060 . 4.320 2.705 2.025 3.704 . 0 0 "[ . 1 . 2]" 1
11 1 11 ASP H 1 12 GLU H 3.080 . 4.370 2.624 2.494 2.717 . 0 0 "[ . 1 . 2]" 1
12 1 11 ASP HA 1 14 VAL H 3.360 . 4.930 3.375 3.199 3.628 . 0 0 "[ . 1 . 2]" 1
13 1 11 ASP HA 1 14 VAL HB 3.190 . 4.590 2.936 2.560 3.389 . 0 0 "[ . 1 . 2]" 1
14 1 11 ASP HA 1 14 VAL MG1 4.120 . 6.450 4.236 3.976 4.646 . 0 0 "[ . 1 . 2]" 1
15 1 11 ASP HA 1 14 VAL MG2 3.170 . 4.540 2.767 2.156 3.426 . 0 0 "[ . 1 . 2]" 1
16 1 12 GLU H 1 12 GLU HG2 3.250 . 4.710 3.744 2.219 4.582 . 0 0 "[ . 1 . 2]" 1
17 1 12 GLU H 1 12 GLU QG 3.170 . 4.540 3.018 2.098 4.053 . 0 0 "[ . 1 . 2]" 1
18 1 12 GLU H 1 12 GLU HG3 3.250 . 4.710 3.423 2.127 4.525 . 0 0 "[ . 1 . 2]" 1
19 1 12 GLU H 1 13 LEU H 3.130 . 4.460 2.678 2.602 2.786 . 0 0 "[ . 1 . 2]" 1
20 1 12 GLU HA 1 12 GLU HG2 2.970 . 4.140 2.953 2.389 3.768 . 0 0 "[ . 1 . 2]" 1
21 1 12 GLU HA 1 12 GLU HG3 2.970 . 4.140 3.060 2.536 3.754 . 0 0 "[ . 1 . 2]" 1
22 1 12 GLU HA 1 15 GLN H 2.990 . 4.190 3.426 2.996 3.801 . 0 0 "[ . 1 . 2]" 1
23 1 12 GLU HA 1 15 GLN QB 3.070 . 4.350 2.782 2.316 4.142 . 0 0 "[ . 1 . 2]" 1
24 1 12 GLU QG 1 13 LEU H 3.390 . 4.990 3.979 3.390 4.574 . 0 0 "[ . 1 . 2]" 1
25 1 12 GLU HG2 1 13 LEU H 3.610 . 5.420 4.646 3.488 5.122 . 0 0 "[ . 1 . 2]" 1
26 1 12 GLU HG3 1 13 LEU H 3.610 . 5.420 4.484 4.003 5.292 . 0 0 "[ . 1 . 2]" 1
27 1 13 LEU H 1 13 LEU HB2 2.840 . 3.880 2.431 2.335 2.585 . 0 0 "[ . 1 . 2]" 1
28 1 13 LEU H 1 13 LEU QB 2.760 . 3.720 2.355 2.201 2.531 . 0 0 "[ . 1 . 2]" 1
29 1 13 LEU H 1 13 LEU HB3 2.840 . 3.880 3.375 2.534 3.609 . 0 0 "[ . 1 . 2]" 1
30 1 13 LEU H 1 13 LEU MD1 3.360 . 4.930 3.710 3.502 4.076 . 0 0 "[ . 1 . 2]" 1
31 1 13 LEU H 1 13 LEU MD2 3.440 . 5.090 3.625 2.936 4.256 . 0 0 "[ . 1 . 2]" 1
32 1 13 LEU H 1 13 LEU HG 3.180 . 4.570 2.853 2.234 4.511 . 0 0 "[ . 1 . 2]" 1
33 1 13 LEU H 1 14 VAL H 2.770 . 3.750 2.703 2.580 2.765 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU H 1 14 VAL MG2 3.860 . 5.930 4.069 3.819 4.277 . 0 0 "[ . 1 . 2]" 1
35 1 13 LEU H 1 42 LEU MD1 3.340 . 4.890 3.890 3.048 4.895 0.005 4 0 "[ . 1 . 2]" 1
36 1 13 LEU HA 1 13 LEU MD1 3.150 . 4.500 3.508 2.081 3.883 . 0 0 "[ . 1 . 2]" 1
37 1 13 LEU HA 1 13 LEU MD2 3.000 . 4.200 2.415 1.997 3.905 . 0 0 "[ . 1 . 2]" 1
38 1 13 LEU HA 1 16 ALA H 2.910 . 4.020 3.541 3.381 3.813 . 0 0 "[ . 1 . 2]" 1
39 1 13 LEU HA 1 42 LEU MD1 3.420 . 5.040 2.673 1.957 3.400 . 0 0 "[ . 1 . 2]" 1
40 1 13 LEU HB2 1 14 VAL H 3.200 . 4.600 2.769 2.442 3.802 . 0 0 "[ . 1 . 2]" 1
41 1 13 LEU HB3 1 14 VAL H 3.200 . 4.600 3.245 2.398 3.679 . 0 0 "[ . 1 . 2]" 1
42 1 13 LEU MD1 1 39 ILE HA 3.980 . 6.160 5.450 3.261 6.250 0.090 20 0 "[ . 1 . 2]" 1
43 1 13 LEU MD1 1 43 ILE H 3.930 . 6.070 4.526 2.965 5.480 . 0 0 "[ . 1 . 2]" 1
44 1 13 LEU MD1 1 43 ILE HA 3.670 . 5.540 3.245 2.573 4.058 . 0 0 "[ . 1 . 2]" 1
45 1 13 LEU MD1 1 43 ILE MD 3.750 . 5.710 4.419 3.017 5.465 . 0 0 "[ . 1 . 2]" 1
46 1 13 LEU MD1 1 43 ILE MG 4.290 . 6.780 4.238 3.393 5.167 . 0 0 "[ . 1 . 2]" 1
47 1 13 LEU MD1 1 46 HIS HD1 3.430 . 5.060 4.113 2.454 5.097 0.037 7 0 "[ . 1 . 2]" 1
48 1 13 LEU MD1 1 68 TRP HZ2 3.470 . 5.140 3.705 2.528 4.824 . 0 0 "[ . 1 . 2]" 1
49 1 13 LEU MD2 1 14 VAL H 3.910 . 6.020 4.547 4.088 4.698 . 0 0 "[ . 1 . 2]" 1
50 1 13 LEU MD2 1 42 LEU HB2 3.230 . 4.660 2.768 2.006 4.703 0.043 9 0 "[ . 1 . 2]" 1
51 1 13 LEU MD2 1 42 LEU QB 2.950 . 4.110 2.352 1.881 4.045 . 0 0 "[ . 1 . 2]" 1
52 1 13 LEU MD2 1 42 LEU HB3 3.230 . 4.660 2.625 1.936 4.454 . 0 0 "[ . 1 . 2]" 1
53 1 13 LEU MD2 1 68 TRP HZ2 3.610 . 5.420 3.804 2.949 5.023 . 0 0 "[ . 1 . 2]" 1
54 1 14 VAL H 1 14 VAL HB 2.630 . 3.470 2.580 2.498 2.639 . 0 0 "[ . 1 . 2]" 1
55 1 14 VAL H 1 14 VAL MG1 3.170 . 4.540 3.775 3.764 3.792 . 0 0 "[ . 1 . 2]" 1
56 1 14 VAL H 1 14 VAL MG2 2.640 . 3.490 2.031 1.936 2.190 . 0 0 "[ . 1 . 2]" 1
57 1 14 VAL H 1 15 GLN H 2.610 . 3.420 2.716 2.626 2.793 . 0 0 "[ . 1 . 2]" 1
58 1 14 VAL HA 1 14 VAL MG2 2.690 . 3.580 2.399 2.328 2.451 . 0 0 "[ . 1 . 2]" 1
59 1 14 VAL HA 1 17 PHE H 3.240 . 4.680 3.604 3.404 3.805 . 0 0 "[ . 1 . 2]" 1
60 1 14 VAL HA 1 17 PHE HB2 3.950 . 6.100 2.928 2.536 3.429 . 0 0 "[ . 1 . 2]" 1
61 1 14 VAL HA 1 17 PHE QB 3.570 . 5.350 2.876 2.512 3.164 . 0 0 "[ . 1 . 2]" 1
62 1 14 VAL HA 1 17 PHE HB3 3.950 . 6.100 4.461 3.347 4.842 . 0 0 "[ . 1 . 2]" 1
63 1 14 VAL HB 1 15 GLN H 2.880 . 3.960 2.551 2.434 2.718 . 0 0 "[ . 1 . 2]" 1
64 1 14 VAL MG1 1 15 GLN H 3.110 . 4.430 3.432 3.309 3.568 . 0 0 "[ . 1 . 2]" 1
65 1 14 VAL MG1 1 15 GLN HA 3.720 . 5.650 3.448 3.270 3.614 . 0 0 "[ . 1 . 2]" 1
66 1 14 VAL MG1 1 18 GLN H 3.930 . 6.070 4.033 3.565 4.360 . 0 0 "[ . 1 . 2]" 1
67 1 14 VAL MG1 1 18 GLN HG2 3.380 . 4.970 3.265 2.460 5.238 0.268 15 0 "[ . 1 . 2]" 1
68 1 14 VAL MG1 1 18 GLN QG 3.280 . 4.770 2.800 2.275 4.294 . 0 0 "[ . 1 . 2]" 1
69 1 14 VAL MG1 1 18 GLN HG3 3.380 . 4.970 3.256 2.546 5.110 0.140 9 0 "[ . 1 . 2]" 1
70 1 14 VAL MG2 1 15 GLN H 3.160 . 4.530 3.776 3.638 3.907 . 0 0 "[ . 1 . 2]" 1
71 1 14 VAL MG2 1 102 ARG QD 3.160 . 4.520 3.023 1.908 4.487 . 0 0 "[ . 1 . 2]" 1
72 1 15 GLN H 1 15 GLN QB 2.510 . 3.220 2.459 2.082 2.718 . 0 0 "[ . 1 . 2]" 1
73 1 15 GLN H 1 15 GLN HG2 2.860 . 3.930 2.832 1.972 4.337 0.407 7 0 "[ . 1 . 2]" 1
74 1 15 GLN H 1 15 GLN HG3 2.860 . 3.930 3.008 2.083 4.222 0.292 7 0 "[ . 1 . 2]" 1
75 1 15 GLN H 1 16 ALA H 2.620 . 3.440 2.683 2.623 2.742 . 0 0 "[ . 1 . 2]" 1
76 1 15 GLN H 1 16 ALA MB 4.010 . 6.230 4.358 4.293 4.412 . 0 0 "[ . 1 . 2]" 1
77 1 15 GLN HA 1 18 GLN H 2.960 . 4.120 3.497 3.206 3.864 . 0 0 "[ . 1 . 2]" 1
78 1 15 GLN HA 1 18 GLN QB 3.450 . 5.100 2.724 2.214 3.138 . 0 0 "[ . 1 . 2]" 1
79 1 15 GLN QB 1 16 ALA H 2.630 . 3.470 2.584 2.404 3.447 . 0 0 "[ . 1 . 2]" 1
80 1 16 ALA H 1 16 ALA MB 2.660 . 3.530 2.237 2.224 2.245 . 0 0 "[ . 1 . 2]" 1
81 1 16 ALA H 1 17 PHE H 2.690 . 3.590 2.694 2.613 2.785 . 0 0 "[ . 1 . 2]" 1
82 1 16 ALA H 1 42 LEU MD1 3.490 . 5.180 4.058 3.417 4.732 . 0 0 "[ . 1 . 2]" 1
83 1 16 ALA MB 1 17 PHE H 2.920 . 4.050 2.505 2.424 2.623 . 0 0 "[ . 1 . 2]" 1
84 1 16 ALA MB 1 35 VAL MG1 2.960 . 4.130 2.966 2.329 3.772 . 0 0 "[ . 1 . 2]" 1
85 1 16 ALA MB 1 39 ILE H 3.990 . 6.190 4.512 3.881 5.310 . 0 0 "[ . 1 . 2]" 1
86 1 16 ALA MB 1 39 ILE HA 3.900 . 6.000 3.645 3.118 4.235 . 0 0 "[ . 1 . 2]" 1
87 1 16 ALA MB 1 39 ILE MD 2.920 . 4.040 2.500 1.880 3.346 . 0 0 "[ . 1 . 2]" 1
88 1 16 ALA MB 1 39 ILE HG12 3.810 . 5.830 2.855 1.904 4.224 . 0 0 "[ . 1 . 2]" 1
89 1 16 ALA MB 1 39 ILE QG 3.470 . 5.140 2.714 1.855 3.853 . 0 0 "[ . 1 . 2]" 1
90 1 16 ALA MB 1 39 ILE HG13 3.810 . 5.830 3.509 2.557 4.446 . 0 0 "[ . 1 . 2]" 1
91 1 17 PHE H 1 17 PHE HB2 2.770 . 3.750 2.351 2.271 2.571 . 0 0 "[ . 1 . 2]" 1
92 1 17 PHE H 1 17 PHE QB 2.690 . 3.590 2.317 2.192 2.520 . 0 0 "[ . 1 . 2]" 1
93 1 17 PHE H 1 17 PHE HB3 2.770 . 3.750 3.548 2.839 3.625 . 0 0 "[ . 1 . 2]" 1
94 1 17 PHE H 1 18 GLN H 2.800 . 3.800 2.659 2.572 2.747 . 0 0 "[ . 1 . 2]" 1
95 1 17 PHE HA 1 20 LEU H 3.070 . 4.340 3.134 3.012 3.241 . 0 0 "[ . 1 . 2]" 1
96 1 17 PHE HA 1 20 LEU QB 3.540 . 5.290 2.260 2.114 2.543 . 0 0 "[ . 1 . 2]" 1
97 1 17 PHE HA 1 20 LEU MD2 3.430 . 5.070 3.024 2.816 3.297 . 0 0 "[ . 1 . 2]" 1
98 1 17 PHE HA 1 39 ILE MD 3.180 . 4.570 3.062 1.991 3.624 . 0 0 "[ . 1 . 2]" 1
99 1 17 PHE HB2 1 18 GLN H 3.280 . 4.770 2.895 2.687 3.685 . 0 0 "[ . 1 . 2]" 1
100 1 17 PHE HB3 1 18 GLN H 3.280 . 4.770 3.537 2.718 3.767 . 0 0 "[ . 1 . 2]" 1
101 1 17 PHE QD 1 18 GLN H 3.420 . 5.040 4.481 4.112 4.648 . 0 0 "[ . 1 . 2]" 1
102 1 17 PHE QD 1 20 LEU MD2 3.760 . 5.720 2.463 1.991 3.464 . 0 0 "[ . 1 . 2]" 1
103 1 17 PHE QD 1 39 ILE MD 3.410 . 5.030 3.029 2.232 3.722 . 0 0 "[ . 1 . 2]" 1
104 1 17 PHE QD 1 39 ILE MG 3.000 . 4.200 3.810 2.429 4.255 0.055 8 0 "[ . 1 . 2]" 1
105 1 17 PHE QE 1 20 LEU MD2 3.380 . 4.960 3.216 2.696 4.089 . 0 0 "[ . 1 . 2]" 1
106 1 17 PHE QE 1 43 ILE MD 3.010 . 4.220 3.981 3.145 4.352 0.132 20 0 "[ . 1 . 2]" 1
107 1 18 GLN H 1 18 GLN HB2 2.650 . 3.510 2.452 2.328 2.557 . 0 0 "[ . 1 . 2]" 1
108 1 18 GLN H 1 18 GLN HB3 2.650 . 3.510 3.438 2.529 3.600 0.090 16 0 "[ . 1 . 2]" 1
109 1 18 GLN H 1 18 GLN HG2 3.130 . 4.460 2.916 2.137 4.526 0.066 9 0 "[ . 1 . 2]" 1
110 1 18 GLN H 1 18 GLN QG 3.040 . 4.280 2.536 2.109 4.016 . 0 0 "[ . 1 . 2]" 1
111 1 18 GLN H 1 18 GLN HG3 3.130 . 4.460 3.476 2.134 4.521 0.061 2 0 "[ . 1 . 2]" 1
112 1 18 GLN H 1 19 ARG H 2.690 . 3.580 2.657 2.546 2.738 . 0 0 "[ . 1 . 2]" 1
113 1 18 GLN HA 1 21 ARG HB2 3.050 . 4.300 3.175 2.672 3.976 . 0 0 "[ . 1 . 2]" 1
114 1 18 GLN HA 1 21 ARG QB 2.920 . 4.040 2.846 2.491 3.251 . 0 0 "[ . 1 . 2]" 1
115 1 18 GLN HA 1 21 ARG HB3 3.050 . 4.300 3.598 2.682 4.461 0.161 18 0 "[ . 1 . 2]" 1
116 1 18 GLN QB 1 19 ARG H 2.960 . 4.130 2.546 2.417 2.761 . 0 0 "[ . 1 . 2]" 1
117 1 18 GLN HB2 1 19 ARG H 3.090 . 4.380 2.788 2.456 3.820 . 0 0 "[ . 1 . 2]" 1
118 1 18 GLN HB3 1 19 ARG H 3.090 . 4.380 3.436 2.495 3.754 . 0 0 "[ . 1 . 2]" 1
119 1 19 ARG H 1 19 ARG HB2 2.970 . 4.140 2.541 2.219 3.629 . 0 0 "[ . 1 . 2]" 1
120 1 19 ARG H 1 19 ARG HB3 2.970 . 4.140 3.085 2.259 3.617 . 0 0 "[ . 1 . 2]" 1
121 1 19 ARG H 1 19 ARG QD 3.600 . 5.410 3.974 2.198 4.884 . 0 0 "[ . 1 . 2]" 1
122 1 19 ARG H 1 19 ARG QG 3.380 . 4.970 3.093 2.016 4.028 . 0 0 "[ . 1 . 2]" 1
123 1 19 ARG H 1 20 LEU H 2.660 . 3.520 2.560 2.502 2.639 . 0 0 "[ . 1 . 2]" 1
124 1 19 ARG HA 1 22 GLU H 2.990 . 4.190 3.363 3.118 3.700 . 0 0 "[ . 1 . 2]" 1
125 1 19 ARG QB 1 20 LEU H 3.010 . 4.230 2.654 2.392 3.520 . 0 0 "[ . 1 . 2]" 1
126 1 19 ARG HB2 1 20 LEU H 3.120 . 4.440 3.241 2.464 4.095 . 0 0 "[ . 1 . 2]" 1
127 1 19 ARG HB3 1 20 LEU H 3.120 . 4.440 3.235 2.424 3.837 . 0 0 "[ . 1 . 2]" 1
128 1 20 LEU H 1 20 LEU HB2 2.740 . 3.680 2.413 2.311 2.517 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU H 1 20 LEU QB 2.610 . 3.430 2.205 2.172 2.229 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU H 1 20 LEU HB3 2.740 . 3.680 2.557 2.473 2.667 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU H 1 20 LEU MD1 3.540 . 5.280 4.012 3.895 4.107 . 0 0 "[ . 1 . 2]" 1
132 1 20 LEU H 1 20 LEU MD2 3.220 . 4.640 4.231 4.194 4.257 . 0 0 "[ . 1 . 2]" 1
133 1 20 LEU H 1 22 GLU H 3.190 . 4.580 4.169 4.026 4.403 . 0 0 "[ . 1 . 2]" 1
134 1 20 LEU H 1 35 VAL MG1 3.110 . 4.430 3.476 2.716 4.097 . 0 0 "[ . 1 . 2]" 1
135 1 20 LEU HA 1 20 LEU MD1 2.720 . 3.650 2.140 2.081 2.192 . 0 0 "[ . 1 . 2]" 1
136 1 20 LEU HA 1 20 LEU MD2 3.440 . 5.090 3.908 3.876 3.938 . 0 0 "[ . 1 . 2]" 1
137 1 20 LEU HA 1 23 ILE H 3.390 . 4.990 3.490 3.267 3.807 . 0 0 "[ . 1 . 2]" 1
138 1 20 LEU HA 1 23 ILE HB 3.030 . 4.260 2.757 2.415 3.117 . 0 0 "[ . 1 . 2]" 1
139 1 20 LEU HA 1 35 VAL MG1 2.860 . 3.930 3.055 2.461 3.488 . 0 0 "[ . 1 . 2]" 1
140 1 20 LEU QB 1 91 LEU MD2 3.350 . 4.910 4.473 3.894 4.989 0.079 9 0 "[ . 1 . 2]" 1
141 1 20 LEU HB2 1 21 ARG H 2.940 . 4.080 3.780 3.690 3.915 . 0 0 "[ . 1 . 2]" 1
142 1 20 LEU HB3 1 21 ARG H 2.940 . 4.080 2.528 2.411 2.656 . 0 0 "[ . 1 . 2]" 1
143 1 20 LEU MD1 1 35 VAL MG1 2.770 . 3.750 2.224 2.031 2.658 . 0 0 "[ . 1 . 2]" 1
144 1 20 LEU MD2 1 75 PHE QD 3.210 . 4.630 3.909 3.347 4.659 0.029 20 0 "[ . 1 . 2]" 1
145 1 20 LEU MD2 1 94 LEU MD2 3.210 . 4.620 3.098 2.466 4.129 . 0 0 "[ . 1 . 2]" 1
146 1 21 ARG H 1 21 ARG HB2 2.780 . 3.770 2.451 2.184 2.726 . 0 0 "[ . 1 . 2]" 1
147 1 21 ARG H 1 21 ARG QB 2.700 . 3.600 2.296 2.116 2.645 . 0 0 "[ . 1 . 2]" 1
148 1 21 ARG H 1 21 ARG HB3 2.780 . 3.770 2.952 2.470 3.610 . 0 0 "[ . 1 . 2]" 1
149 1 21 ARG H 1 21 ARG QG 2.960 . 4.120 3.380 1.803 4.023 . 0 0 "[ . 1 . 2]" 1
150 1 21 ARG H 1 22 GLU H 2.680 . 3.560 2.686 2.600 2.790 . 0 0 "[ . 1 . 2]" 1
151 1 21 ARG HA 1 21 ARG QD 2.860 . 3.930 3.779 2.137 4.166 0.236 8 0 "[ . 1 . 2]" 1
152 1 21 ARG HA 1 24 PHE H 3.060 . 4.330 3.480 3.280 3.928 . 0 0 "[ . 1 . 2]" 1
153 1 21 ARG HA 1 24 PHE QB 3.730 . 5.670 2.476 2.159 2.957 . 0 0 "[ . 1 . 2]" 1
154 1 21 ARG HA 1 91 LEU MD1 4.030 . 6.260 3.662 2.698 4.385 . 0 0 "[ . 1 . 2]" 1
155 1 21 ARG HB2 1 22 GLU H 2.770 . 3.750 3.362 2.271 3.910 0.160 6 0 "[ . 1 . 2]" 1
156 1 21 ARG HB3 1 22 GLU H 2.770 . 3.750 2.908 2.434 3.638 . 0 0 "[ . 1 . 2]" 1
157 1 22 GLU H 1 22 GLU HB2 2.870 . 3.950 2.431 1.993 2.656 . 0 0 "[ . 1 . 2]" 1
158 1 22 GLU H 1 22 GLU QB 2.750 . 3.700 2.379 1.971 2.590 . 0 0 "[ . 1 . 2]" 1
159 1 22 GLU H 1 22 GLU HB3 2.870 . 3.950 3.499 2.400 3.623 . 0 0 "[ . 1 . 2]" 1
160 1 22 GLU H 1 22 GLU HG2 2.930 . 4.060 3.189 2.017 4.290 0.230 20 0 "[ . 1 . 2]" 1
161 1 22 GLU H 1 22 GLU QG 2.830 . 3.870 2.495 2.006 3.833 . 0 0 "[ . 1 . 2]" 1
162 1 22 GLU H 1 22 GLU HG3 2.930 . 4.060 3.047 2.157 4.314 0.254 20 0 "[ . 1 . 2]" 1
163 1 22 GLU H 1 23 ILE H 2.720 . 3.650 2.675 2.564 2.736 . 0 0 "[ . 1 . 2]" 1
164 1 22 GLU H 1 24 PHE H 3.300 . 4.800 4.074 4.014 4.188 . 0 0 "[ . 1 . 2]" 1
165 1 22 GLU HA 1 25 ASP H 3.140 . 4.490 3.451 3.308 3.670 . 0 0 "[ . 1 . 2]" 1
166 1 22 GLU HA 1 25 ASP HB2 3.310 . 4.820 3.507 3.117 3.847 . 0 0 "[ . 1 . 2]" 1
167 1 22 GLU HA 1 25 ASP HB3 3.310 . 4.820 2.740 2.251 3.231 . 0 0 "[ . 1 . 2]" 1
168 1 22 GLU QB 1 23 ILE H 3.010 . 4.230 2.500 2.404 2.650 . 0 0 "[ . 1 . 2]" 1
169 1 22 GLU HB2 1 23 ILE H 3.120 . 4.450 2.660 2.447 3.810 . 0 0 "[ . 1 . 2]" 1
170 1 22 GLU HB3 1 23 ILE H 3.120 . 4.450 3.431 2.447 3.739 . 0 0 "[ . 1 . 2]" 1
171 1 23 ILE H 1 23 ILE HB 2.590 . 3.380 2.481 2.370 2.541 . 0 0 "[ . 1 . 2]" 1
172 1 23 ILE H 1 23 ILE MD 2.940 . 4.080 3.561 3.483 3.676 . 0 0 "[ . 1 . 2]" 1
173 1 23 ILE H 1 23 ILE HG12 3.020 . 4.240 3.432 3.338 3.647 . 0 0 "[ . 1 . 2]" 1
174 1 23 ILE H 1 23 ILE QG 2.840 . 3.890 2.135 2.026 2.385 . 0 0 "[ . 1 . 2]" 1
175 1 23 ILE H 1 23 ILE HG13 3.020 . 4.240 2.157 2.044 2.418 . 0 0 "[ . 1 . 2]" 1
176 1 23 ILE H 1 23 ILE MG 3.160 . 4.530 3.751 3.729 3.771 . 0 0 "[ . 1 . 2]" 1
177 1 23 ILE H 1 24 PHE H 2.680 . 3.570 2.641 2.571 2.729 . 0 0 "[ . 1 . 2]" 1
178 1 23 ILE HA 1 23 ILE MD 3.170 . 4.550 3.817 3.772 3.843 . 0 0 "[ . 1 . 2]" 1
179 1 23 ILE HA 1 23 ILE HG12 3.020 . 4.250 2.506 2.416 2.562 . 0 0 "[ . 1 . 2]" 1
180 1 23 ILE HA 1 23 ILE QG 2.870 . 3.950 2.378 2.292 2.431 . 0 0 "[ . 1 . 2]" 1
181 1 23 ILE HA 1 23 ILE HG13 3.020 . 4.250 2.959 2.848 3.025 . 0 0 "[ . 1 . 2]" 1
182 1 23 ILE HA 1 26 LYS H 3.850 . 5.900 3.372 3.184 3.664 . 0 0 "[ . 1 . 2]" 1
183 1 23 ILE HA 1 26 LYS QB 3.220 . 4.650 2.736 2.232 3.333 . 0 0 "[ . 1 . 2]" 1
184 1 23 ILE HA 1 28 ASP H 3.480 . 5.160 4.078 3.733 4.569 . 0 0 "[ . 1 . 2]" 1
185 1 23 ILE HB 1 24 PHE H 2.870 . 3.940 2.610 2.467 2.786 . 0 0 "[ . 1 . 2]" 1
186 1 23 ILE MD 1 24 PHE H 3.960 . 6.130 4.578 4.446 4.772 . 0 0 "[ . 1 . 2]" 1
187 1 23 ILE MD 1 31 SER HB2 3.740 . 5.680 2.645 2.198 3.167 . 0 0 "[ . 1 . 2]" 1
188 1 23 ILE MD 1 31 SER QB 3.610 . 5.430 2.217 1.856 2.948 . 0 0 "[ . 1 . 2]" 1
189 1 23 ILE MD 1 31 SER HB3 3.740 . 5.680 2.528 1.984 4.163 . 0 0 "[ . 1 . 2]" 1
190 1 23 ILE MD 1 32 LEU H 3.410 . 5.030 4.048 3.574 4.410 . 0 0 "[ . 1 . 2]" 1
191 1 23 ILE MD 1 32 LEU HA 2.570 . 3.350 3.220 2.761 3.469 0.119 16 0 "[ . 1 . 2]" 1
192 1 23 ILE MD 1 35 VAL H 3.610 . 5.420 4.203 3.949 4.449 . 0 0 "[ . 1 . 2]" 1
193 1 23 ILE MD 1 35 VAL HB 2.870 . 3.940 3.452 3.038 4.024 0.084 8 0 "[ . 1 . 2]" 1
194 1 23 ILE MD 1 35 VAL MG1 2.950 . 4.110 3.205 2.581 3.687 . 0 0 "[ . 1 . 2]" 1
195 1 23 ILE MD 1 35 VAL MG2 2.800 . 3.810 1.876 1.793 2.017 . 0 0 "[ . 1 . 2]" 1
196 1 23 ILE MG 1 24 PHE H 3.430 . 5.060 3.371 3.247 3.484 . 0 0 "[ . 1 . 2]" 1
197 1 23 ILE MG 1 24 PHE HA 3.420 . 5.050 3.443 3.341 3.555 . 0 0 "[ . 1 . 2]" 1
198 1 23 ILE MG 1 28 ASP H 3.550 . 5.300 3.071 2.833 3.354 . 0 0 "[ . 1 . 2]" 1
199 1 23 ILE MG 1 28 ASP HB2 3.400 . 5.000 3.315 1.938 3.843 . 0 0 "[ . 1 . 2]" 1
200 1 23 ILE MG 1 28 ASP QB 3.300 . 4.810 2.006 1.836 2.413 . 0 0 "[ . 1 . 2]" 1
201 1 23 ILE MG 1 28 ASP HB3 3.400 . 5.000 2.080 1.849 3.101 . 0 0 "[ . 1 . 2]" 1
202 1 23 ILE MG 1 31 SER H 4.400 . 7.000 3.676 3.443 3.996 . 0 0 "[ . 1 . 2]" 1
203 1 23 ILE MG 1 31 SER HB2 3.700 . 5.610 2.210 1.776 3.802 0.014 17 0 "[ . 1 . 2]" 1
204 1 23 ILE MG 1 31 SER HB3 3.700 . 5.610 3.100 2.729 4.213 . 0 0 "[ . 1 . 2]" 1
205 1 23 ILE MG 1 32 LEU H 3.260 . 4.720 2.702 2.472 2.936 . 0 0 "[ . 1 . 2]" 1
206 1 23 ILE MG 1 32 LEU HA 2.750 . 3.700 2.544 2.256 3.007 . 0 0 "[ . 1 . 2]" 1
207 1 24 PHE H 1 24 PHE HB2 2.750 . 3.710 2.653 2.389 2.828 . 0 0 "[ . 1 . 2]" 1
208 1 24 PHE H 1 24 PHE HB3 2.750 . 3.710 2.401 2.276 2.609 . 0 0 "[ . 1 . 2]" 1
209 1 24 PHE H 1 24 PHE QD 3.200 . 4.610 4.155 4.057 4.204 . 0 0 "[ . 1 . 2]" 1
210 1 24 PHE H 1 25 ASP H 2.890 . 3.980 2.662 2.572 2.731 . 0 0 "[ . 1 . 2]" 1
211 1 24 PHE H 1 32 LEU MD2 3.660 . 5.520 4.774 2.432 5.581 0.061 19 0 "[ . 1 . 2]" 1
212 1 24 PHE QB 1 25 ASP H 2.980 . 4.160 2.607 2.397 2.679 . 0 0 "[ . 1 . 2]" 1
213 1 24 PHE QB 1 91 LEU MD1 3.630 . 5.470 3.622 2.848 4.279 . 0 0 "[ . 1 . 2]" 1
214 1 24 PHE HB2 1 25 ASP H 3.090 . 4.380 3.948 3.692 4.029 . 0 0 "[ . 1 . 2]" 1
215 1 24 PHE HB2 1 91 LEU MD1 3.920 . 6.040 4.498 3.285 5.346 . 0 0 "[ . 1 . 2]" 1
216 1 24 PHE HB3 1 25 ASP H 3.090 . 4.380 2.645 2.428 2.720 . 0 0 "[ . 1 . 2]" 1
217 1 24 PHE HB3 1 91 LEU MD1 3.920 . 6.040 3.835 3.124 4.590 . 0 0 "[ . 1 . 2]" 1
218 1 24 PHE QD 1 25 ASP H 3.910 . 6.020 3.496 3.058 3.720 . 0 0 "[ . 1 . 2]" 1
219 1 24 PHE QD 1 32 LEU MD1 3.100 . 4.410 3.000 2.043 4.029 . 0 0 "[ . 1 . 2]" 1
220 1 24 PHE QD 1 32 LEU MD2 3.300 . 4.810 3.050 2.067 4.823 0.013 8 0 "[ . 1 . 2]" 1
221 1 24 PHE QD 1 91 LEU MD1 2.870 . 3.940 2.576 2.029 3.252 . 0 0 "[ . 1 . 2]" 1
222 1 24 PHE QD 1 91 LEU MD2 3.050 . 4.300 3.687 2.430 4.341 0.041 14 0 "[ . 1 . 2]" 1
223 1 24 PHE HZ 1 88 GLU H 3.270 . 4.750 4.416 3.536 4.883 0.133 11 0 "[ . 1 . 2]" 1
224 1 25 ASP H 1 25 ASP HB2 2.800 . 3.800 2.575 2.464 2.696 . 0 0 "[ . 1 . 2]" 1
225 1 25 ASP H 1 25 ASP QB 2.690 . 3.590 2.243 2.200 2.280 . 0 0 "[ . 1 . 2]" 1
226 1 25 ASP H 1 25 ASP HB3 2.800 . 3.800 2.481 2.333 2.621 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASP H 1 26 LYS H 2.730 . 3.660 2.610 2.508 2.681 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASP QB 1 26 LYS H 3.040 . 4.280 2.790 2.690 2.943 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASP HB2 1 26 LYS H 3.150 . 4.500 4.026 3.922 4.096 . 0 0 "[ . 1 . 2]" 1
230 1 25 ASP HB3 1 26 LYS H 3.150 . 4.500 2.846 2.738 3.018 . 0 0 "[ . 1 . 2]" 1
231 1 26 LYS H 1 26 LYS QB 2.490 . 3.190 2.361 2.171 2.613 . 0 0 "[ . 1 . 2]" 1
232 1 26 LYS H 1 26 LYS QD 3.640 . 5.490 3.840 2.382 4.606 . 0 0 "[ . 1 . 2]" 1
233 1 26 LYS H 1 26 LYS QG 2.780 . 3.760 2.923 2.201 3.950 0.190 16 0 "[ . 1 . 2]" 1
234 1 26 LYS QB 1 26 LYS QD 2.680 . 3.560 2.247 2.104 2.438 . 0 0 "[ . 1 . 2]" 1
235 1 26 LYS QB 1 28 ASP H 3.320 . 4.840 2.936 2.641 3.408 . 0 0 "[ . 1 . 2]" 1
236 1 27 GLY H 1 28 ASP H 2.860 . 3.930 2.510 2.407 2.611 . 0 0 "[ . 1 . 2]" 1
237 1 28 ASP H 1 28 ASP HB2 2.810 . 3.830 2.638 2.401 2.787 . 0 0 "[ . 1 . 2]" 1
238 1 28 ASP H 1 28 ASP HB3 2.810 . 3.830 2.712 2.594 3.631 . 0 0 "[ . 1 . 2]" 1
239 1 29 ASP HA 1 32 LEU H 3.540 . 5.290 3.409 3.113 3.633 . 0 0 "[ . 1 . 2]" 1
240 1 29 ASP HA 1 32 LEU MD1 3.180 . 4.570 3.915 1.901 4.605 0.035 10 0 "[ . 1 . 2]" 1
241 1 29 ASP HA 1 32 LEU MD2 3.470 . 5.140 3.196 2.615 4.347 . 0 0 "[ . 1 . 2]" 1
242 1 30 ASP H 1 30 ASP QB 2.760 . 3.730 2.312 2.214 2.715 . 0 0 "[ . 1 . 2]" 1
243 1 30 ASP H 1 31 SER H 3.450 . 5.100 2.775 2.676 2.862 . 0 0 "[ . 1 . 2]" 1
244 1 30 ASP QB 1 31 SER H 3.020 . 4.240 2.536 2.321 3.443 . 0 0 "[ . 1 . 2]" 1
245 1 31 SER H 1 32 LEU H 2.780 . 3.770 2.516 2.480 2.625 . 0 0 "[ . 1 . 2]" 1
246 1 31 SER QB 1 35 VAL MG2 4.200 . 6.610 3.246 2.707 3.849 . 0 0 "[ . 1 . 2]" 1
247 1 32 LEU H 1 32 LEU HB2 2.650 . 3.500 2.347 2.186 2.428 . 0 0 "[ . 1 . 2]" 1
248 1 32 LEU H 1 32 LEU QB 2.550 . 3.300 2.200 2.116 2.373 . 0 0 "[ . 1 . 2]" 1
249 1 32 LEU H 1 32 LEU HB3 2.650 . 3.500 2.718 2.546 3.584 0.084 17 0 "[ . 1 . 2]" 1
250 1 32 LEU H 1 32 LEU MD1 3.480 . 5.160 3.962 3.674 4.100 . 0 0 "[ . 1 . 2]" 1
251 1 32 LEU H 1 32 LEU MD2 3.530 . 5.260 4.170 3.482 4.321 . 0 0 "[ . 1 . 2]" 1
252 1 32 LEU H 1 33 GLU H 2.850 . 3.910 2.756 2.677 2.854 . 0 0 "[ . 1 . 2]" 1
253 1 32 LEU HA 1 32 LEU MD1 2.840 . 3.880 2.550 2.068 3.862 . 0 0 "[ . 1 . 2]" 1
254 1 32 LEU HA 1 32 LEU MD2 3.030 . 4.260 3.562 1.999 3.920 . 0 0 "[ . 1 . 2]" 1
255 1 32 LEU HA 1 35 VAL H 3.130 . 4.470 3.657 3.470 3.878 . 0 0 "[ . 1 . 2]" 1
256 1 32 LEU HA 1 35 VAL HB 3.080 . 4.360 3.163 2.777 3.551 . 0 0 "[ . 1 . 2]" 1
257 1 32 LEU HA 1 35 VAL MG2 3.100 . 4.400 3.296 2.589 3.658 . 0 0 "[ . 1 . 2]" 1
258 1 32 LEU HB2 1 33 GLU H 3.400 . 5.000 3.579 2.508 3.783 . 0 0 "[ . 1 . 2]" 1
259 1 32 LEU HB3 1 33 GLU H 3.400 . 5.000 2.530 2.356 3.402 . 0 0 "[ . 1 . 2]" 1
260 1 32 LEU MD1 1 33 GLU H 3.880 . 5.960 4.597 4.423 4.675 . 0 0 "[ . 1 . 2]" 1
261 1 32 LEU MD2 1 33 GLU H 3.830 . 5.870 4.050 3.463 4.651 . 0 0 "[ . 1 . 2]" 1
262 1 32 LEU MD2 1 36 LEU MD1 2.980 . 4.160 3.338 2.110 4.202 0.042 16 0 "[ . 1 . 2]" 1
263 1 32 LEU MD2 1 36 LEU MD2 2.940 . 4.080 3.939 2.668 4.171 0.091 20 0 "[ . 1 . 2]" 1
264 1 33 GLU H 1 33 GLU QB 2.450 . 3.100 2.296 2.039 2.480 . 0 0 "[ . 1 . 2]" 1
265 1 33 GLU H 1 33 GLU QG 2.830 . 3.870 3.149 2.169 4.021 0.151 11 0 "[ . 1 . 2]" 1
266 1 33 GLU H 1 34 GLN H 2.790 . 3.790 2.665 2.610 2.758 . 0 0 "[ . 1 . 2]" 1
267 1 33 GLU HA 1 36 LEU H 3.080 . 4.370 3.479 3.201 3.715 . 0 0 "[ . 1 . 2]" 1
268 1 33 GLU HA 1 36 LEU QB 3.800 . 5.800 2.861 2.304 3.401 . 0 0 "[ . 1 . 2]" 1
269 1 33 GLU HA 1 36 LEU MD1 3.210 . 4.630 2.178 2.010 2.502 . 0 0 "[ . 1 . 2]" 1
270 1 33 GLU QB 1 34 GLN H 2.680 . 3.560 2.625 2.484 2.746 . 0 0 "[ . 1 . 2]" 1
271 1 34 GLN H 1 34 GLN QG 3.230 . 4.670 2.744 2.013 4.050 . 0 0 "[ . 1 . 2]" 1
272 1 34 GLN H 1 35 VAL H 2.780 . 3.760 2.686 2.608 2.752 . 0 0 "[ . 1 . 2]" 1
273 1 34 GLN QB 1 35 VAL H 2.750 . 3.700 2.554 2.343 2.666 . 0 0 "[ . 1 . 2]" 1
274 1 34 GLN QG 1 35 VAL H 3.870 . 5.940 3.934 3.211 4.307 . 0 0 "[ . 1 . 2]" 1
275 1 34 GLN QG 1 35 VAL MG2 4.170 . 6.550 4.453 3.343 4.972 . 0 0 "[ . 1 . 2]" 1
276 1 35 VAL H 1 35 VAL HB 2.660 . 3.520 2.541 2.487 2.618 . 0 0 "[ . 1 . 2]" 1
277 1 35 VAL H 1 35 VAL MG1 3.100 . 4.400 3.781 3.767 3.789 . 0 0 "[ . 1 . 2]" 1
278 1 35 VAL H 1 35 VAL MG2 2.730 . 3.660 2.130 2.002 2.230 . 0 0 "[ . 1 . 2]" 1
279 1 35 VAL H 1 36 LEU H 2.630 . 3.470 2.637 2.559 2.726 . 0 0 "[ . 1 . 2]" 1
280 1 35 VAL HA 1 35 VAL MG2 2.710 . 3.620 2.353 2.302 2.419 . 0 0 "[ . 1 . 2]" 1
281 1 35 VAL HA 1 38 GLU H 3.240 . 4.680 3.119 3.029 3.295 . 0 0 "[ . 1 . 2]" 1
282 1 35 VAL HA 1 38 GLU HB2 2.860 . 3.930 2.568 2.113 3.348 . 0 0 "[ . 1 . 2]" 1
283 1 35 VAL HA 1 38 GLU QB 2.760 . 3.730 2.424 2.101 2.578 . 0 0 "[ . 1 . 2]" 1
284 1 35 VAL HA 1 38 GLU HB3 2.860 . 3.930 3.718 2.511 4.081 0.151 17 0 "[ . 1 . 2]" 1
285 1 35 VAL HB 1 36 LEU H 2.870 . 3.950 2.829 2.730 2.995 . 0 0 "[ . 1 . 2]" 1
286 1 35 VAL MG1 1 36 LEU H 3.380 . 4.960 3.581 3.487 3.667 . 0 0 "[ . 1 . 2]" 1
287 1 35 VAL MG1 1 38 GLU QG 3.860 . 5.920 4.158 3.627 4.599 . 0 0 "[ . 1 . 2]" 1
288 1 35 VAL MG1 1 39 ILE MD 2.910 . 4.030 2.420 2.051 2.886 . 0 0 "[ . 1 . 2]" 1
289 1 35 VAL MG2 1 36 LEU H 3.390 . 4.990 3.918 3.802 4.057 . 0 0 "[ . 1 . 2]" 1
290 1 36 LEU H 1 36 LEU HB2 2.800 . 3.810 2.486 2.242 2.609 . 0 0 "[ . 1 . 2]" 1
291 1 36 LEU H 1 36 LEU QB 2.710 . 3.630 2.443 2.218 2.551 . 0 0 "[ . 1 . 2]" 1
292 1 36 LEU H 1 36 LEU HB3 2.800 . 3.810 3.599 3.526 3.614 . 0 0 "[ . 1 . 2]" 1
293 1 36 LEU H 1 36 LEU MD1 3.550 . 5.300 3.496 2.053 3.710 . 0 0 "[ . 1 . 2]" 1
294 1 36 LEU H 1 36 LEU MD2 3.810 . 5.830 3.368 3.026 3.989 . 0 0 "[ . 1 . 2]" 1
295 1 36 LEU H 1 36 LEU HG 2.740 . 3.690 2.454 2.109 3.866 0.176 6 0 "[ . 1 . 2]" 1
296 1 36 LEU H 1 37 GLU H 2.710 . 3.630 2.682 2.623 2.756 . 0 0 "[ . 1 . 2]" 1
297 1 36 LEU H 1 38 GLU H 3.500 . 5.200 4.092 4.017 4.199 . 0 0 "[ . 1 . 2]" 1
298 1 36 LEU HA 1 36 LEU MD1 3.260 . 4.720 3.746 2.604 3.886 . 0 0 "[ . 1 . 2]" 1
299 1 36 LEU HA 1 36 LEU MD2 2.810 . 3.830 2.221 1.984 3.766 . 0 0 "[ . 1 . 2]" 1
300 1 36 LEU QB 1 37 GLU H 2.930 . 4.060 2.604 2.462 2.714 . 0 0 "[ . 1 . 2]" 1
301 1 36 LEU HB2 1 37 GLU H 3.100 . 4.410 2.671 2.512 2.859 . 0 0 "[ . 1 . 2]" 1
302 1 36 LEU HB3 1 37 GLU H 3.100 . 4.410 3.633 3.382 3.753 . 0 0 "[ . 1 . 2]" 1
303 1 37 GLU H 1 37 GLU HB2 2.730 . 3.660 2.488 2.102 2.625 . 0 0 "[ . 1 . 2]" 1
304 1 37 GLU H 1 37 GLU QB 2.640 . 3.490 2.304 2.083 2.507 . 0 0 "[ . 1 . 2]" 1
305 1 37 GLU H 1 37 GLU HB3 2.730 . 3.660 2.980 2.361 3.617 . 0 0 "[ . 1 . 2]" 1
306 1 37 GLU H 1 37 GLU QG 3.260 . 4.720 3.295 2.177 4.037 . 0 0 "[ . 1 . 2]" 1
307 1 37 GLU H 1 38 GLU H 2.650 . 3.500 2.593 2.524 2.670 . 0 0 "[ . 1 . 2]" 1
308 1 37 GLU QG 1 38 GLU H 3.190 . 4.590 3.845 3.426 4.561 . 0 0 "[ . 1 . 2]" 1
309 1 38 GLU H 1 38 GLU HB2 2.840 . 3.890 2.419 2.237 2.571 . 0 0 "[ . 1 . 2]" 1
310 1 38 GLU H 1 38 GLU QB 2.730 . 3.670 2.343 2.140 2.517 . 0 0 "[ . 1 . 2]" 1
311 1 38 GLU H 1 38 GLU HB3 2.840 . 3.890 3.356 2.383 3.605 . 0 0 "[ . 1 . 2]" 1
312 1 38 GLU H 1 38 GLU HG2 2.920 . 4.050 3.248 2.057 4.344 0.294 8 0 "[ . 1 . 2]" 1
313 1 38 GLU H 1 38 GLU QG 2.830 . 3.860 2.608 2.045 3.833 . 0 0 "[ . 1 . 2]" 1
314 1 38 GLU H 1 38 GLU HG3 2.920 . 4.050 3.188 2.134 4.297 0.247 5 0 "[ . 1 . 2]" 1
315 1 38 GLU H 1 39 ILE H 2.700 . 3.610 2.638 2.566 2.744 . 0 0 "[ . 1 . 2]" 1
316 1 38 GLU HA 1 38 GLU QG 2.880 . 3.960 2.571 2.342 3.055 . 0 0 "[ . 1 . 2]" 1
317 1 38 GLU HA 1 40 GLU H 2.960 . 4.120 4.232 4.149 4.328 0.208 14 0 "[ . 1 . 2]" 1
318 1 38 GLU HA 1 41 GLU H 2.790 . 3.780 3.486 3.245 3.658 . 0 0 "[ . 1 . 2]" 1
319 1 38 GLU QB 1 39 ILE H 2.830 . 3.870 2.498 2.363 2.611 . 0 0 "[ . 1 . 2]" 1
320 1 38 GLU HB2 1 39 ILE H 2.950 . 4.100 2.806 2.436 3.883 . 0 0 "[ . 1 . 2]" 1
321 1 38 GLU HB3 1 39 ILE H 2.950 . 4.100 3.325 2.393 3.737 . 0 0 "[ . 1 . 2]" 1
322 1 39 ILE H 1 39 ILE HB 2.810 . 3.820 2.503 2.421 2.552 . 0 0 "[ . 1 . 2]" 1
323 1 39 ILE H 1 39 ILE MD 3.360 . 4.930 3.422 3.154 3.656 . 0 0 "[ . 1 . 2]" 1
324 1 39 ILE H 1 39 ILE HG12 3.210 . 4.620 2.872 2.138 3.581 . 0 0 "[ . 1 . 2]" 1
325 1 39 ILE H 1 39 ILE QG 3.090 . 4.380 2.153 2.082 2.311 . 0 0 "[ . 1 . 2]" 1
326 1 39 ILE H 1 39 ILE HG13 3.210 . 4.620 2.829 2.100 3.678 . 0 0 "[ . 1 . 2]" 1
327 1 39 ILE HA 1 39 ILE MD 3.300 . 4.810 3.018 2.005 3.845 . 0 0 "[ . 1 . 2]" 1
328 1 39 ILE HA 1 42 LEU H 3.200 . 4.600 3.363 3.170 3.621 . 0 0 "[ . 1 . 2]" 1
329 1 39 ILE HA 1 42 LEU QB 3.630 . 5.470 2.632 2.339 3.034 . 0 0 "[ . 1 . 2]" 1
330 1 39 ILE HA 1 42 LEU MD1 3.120 . 4.440 2.333 2.112 2.921 . 0 0 "[ . 1 . 2]" 1
331 1 39 ILE HB 1 40 GLU H 2.790 . 3.780 2.708 2.568 2.811 . 0 0 "[ . 1 . 2]" 1
332 1 39 ILE QG 1 40 GLU H 3.610 . 5.430 4.069 3.969 4.153 . 0 0 "[ . 1 . 2]" 1
333 1 39 ILE MG 1 40 GLU H 3.310 . 4.820 3.442 3.310 3.506 . 0 0 "[ . 1 . 2]" 1
334 1 39 ILE MG 1 40 GLU HA 3.620 . 5.450 3.372 3.266 3.487 . 0 0 "[ . 1 . 2]" 1
335 1 39 ILE MG 1 43 ILE MD 3.050 . 4.300 2.086 1.880 2.306 . 0 0 "[ . 1 . 2]" 1
336 1 39 ILE MG 1 68 TRP HZ2 3.000 . 4.210 3.848 3.008 4.548 0.338 16 0 "[ . 1 . 2]" 1
337 1 40 GLU H 1 40 GLU QB 2.850 . 3.900 2.299 2.173 2.488 . 0 0 "[ . 1 . 2]" 1
338 1 40 GLU H 1 40 GLU QG 3.370 . 4.950 3.455 2.142 4.042 . 0 0 "[ . 1 . 2]" 1
339 1 40 GLU H 1 41 GLU H 2.760 . 3.720 2.695 2.598 2.800 . 0 0 "[ . 1 . 2]" 1
340 1 40 GLU HA 1 43 ILE H 3.380 . 4.960 3.469 3.089 3.996 . 0 0 "[ . 1 . 2]" 1
341 1 40 GLU HA 1 43 ILE HB 3.140 . 4.490 2.784 2.367 3.504 . 0 0 "[ . 1 . 2]" 1
342 1 40 GLU HA 1 43 ILE MD 3.370 . 4.950 2.370 1.895 3.651 . 0 0 "[ . 1 . 2]" 1
343 1 40 GLU HA 1 43 ILE MG 3.640 . 5.490 4.086 3.790 4.770 . 0 0 "[ . 1 . 2]" 1
344 1 40 GLU QB 1 41 GLU H 2.860 . 3.920 2.520 2.404 2.674 . 0 0 "[ . 1 . 2]" 1
345 1 40 GLU QB 1 43 ILE MD 4.020 . 6.240 3.979 3.416 5.131 . 0 0 "[ . 1 . 2]" 1
346 1 40 GLU HB2 1 41 GLU H 3.130 . 4.460 3.442 2.447 3.962 . 0 0 "[ . 1 . 2]" 1
347 1 40 GLU HB3 1 41 GLU H 3.130 . 4.460 2.864 2.454 3.677 . 0 0 "[ . 1 . 2]" 1
348 1 41 GLU H 1 41 GLU HB2 2.610 . 3.420 2.452 2.160 2.647 . 0 0 "[ . 1 . 2]" 1
349 1 41 GLU H 1 41 GLU QB 2.500 . 3.200 2.311 2.140 2.577 . 0 0 "[ . 1 . 2]" 1
350 1 41 GLU H 1 41 GLU HB3 2.610 . 3.420 3.087 2.484 3.560 0.140 5 0 "[ . 1 . 2]" 1
351 1 41 GLU H 1 41 GLU QG 3.500 . 5.210 3.058 1.828 4.050 . 0 0 "[ . 1 . 2]" 1
352 1 41 GLU H 1 42 LEU H 2.640 . 3.490 2.637 2.570 2.712 . 0 0 "[ . 1 . 2]" 1
353 1 41 GLU H 1 42 LEU MD1 4.250 . 6.710 5.288 5.212 5.444 . 0 0 "[ . 1 . 2]" 1
354 1 41 GLU HA 1 41 GLU HG2 2.950 . 4.100 3.041 2.457 3.823 . 0 0 "[ . 1 . 2]" 1
355 1 41 GLU HA 1 41 GLU QG 2.760 . 3.730 2.667 2.363 3.033 . 0 0 "[ . 1 . 2]" 1
356 1 41 GLU HA 1 41 GLU HG3 2.950 . 4.100 3.181 2.569 3.736 . 0 0 "[ . 1 . 2]" 1
357 1 42 LEU H 1 42 LEU HB2 2.980 . 4.160 2.520 2.457 2.588 . 0 0 "[ . 1 . 2]" 1
358 1 42 LEU H 1 42 LEU QB 2.690 . 3.580 2.473 2.417 2.530 . 0 0 "[ . 1 . 2]" 1
359 1 42 LEU H 1 42 LEU HB3 2.980 . 4.160 3.590 3.571 3.607 . 0 0 "[ . 1 . 2]" 1
360 1 42 LEU H 1 42 LEU MD1 3.090 . 4.380 3.612 3.536 3.683 . 0 0 "[ . 1 . 2]" 1
361 1 42 LEU H 1 42 LEU MD2 3.110 . 4.430 3.215 3.048 3.472 . 0 0 "[ . 1 . 2]" 1
362 1 42 LEU H 1 42 LEU HG 2.620 . 3.450 2.215 2.056 2.315 . 0 0 "[ . 1 . 2]" 1
363 1 42 LEU H 1 43 ILE H 2.810 . 3.820 2.651 2.541 2.758 . 0 0 "[ . 1 . 2]" 1
364 1 42 LEU HA 1 42 LEU MD1 3.750 . 5.700 3.862 3.817 3.900 . 0 0 "[ . 1 . 2]" 1
365 1 42 LEU HA 1 42 LEU MD2 2.620 . 3.440 2.064 2.012 2.159 . 0 0 "[ . 1 . 2]" 1
366 1 42 LEU HA 1 42 LEU HG 2.810 . 3.820 3.148 3.022 3.243 . 0 0 "[ . 1 . 2]" 1
367 1 42 LEU QB 1 43 ILE H 3.010 . 4.220 2.551 2.481 2.628 . 0 0 "[ . 1 . 2]" 1
368 1 42 LEU HB2 1 43 ILE H 3.160 . 4.520 2.602 2.530 2.685 . 0 0 "[ . 1 . 2]" 1
369 1 42 LEU HB3 1 43 ILE H 3.160 . 4.520 3.672 3.584 3.765 . 0 0 "[ . 1 . 2]" 1
370 1 42 LEU MD2 1 45 LYS QD 2.960 . 4.120 2.893 2.039 4.147 0.027 18 0 "[ . 1 . 2]" 1
371 1 42 LEU HG 1 43 ILE H 3.020 . 4.240 4.266 4.044 4.328 0.088 1 0 "[ . 1 . 2]" 1
372 1 43 ILE H 1 43 ILE HB 2.660 . 3.530 2.512 2.420 2.551 . 0 0 "[ . 1 . 2]" 1
373 1 43 ILE H 1 43 ILE MD 3.600 . 5.410 3.589 3.494 3.760 . 0 0 "[ . 1 . 2]" 1
374 1 43 ILE H 1 43 ILE HG12 2.860 . 3.930 3.467 3.402 3.603 . 0 0 "[ . 1 . 2]" 1
375 1 43 ILE H 1 43 ILE QG 2.740 . 3.690 2.167 2.079 2.305 . 0 0 "[ . 1 . 2]" 1
376 1 43 ILE H 1 43 ILE HG13 2.860 . 3.930 2.190 2.098 2.333 . 0 0 "[ . 1 . 2]" 1
377 1 43 ILE H 1 44 GLN H 2.830 . 3.860 2.713 2.640 2.750 . 0 0 "[ . 1 . 2]" 1
378 1 43 ILE HA 1 43 ILE MD 3.160 . 4.520 3.837 3.792 3.865 . 0 0 "[ . 1 . 2]" 1
379 1 43 ILE HA 1 46 HIS H 3.660 . 5.530 3.510 3.286 3.681 . 0 0 "[ . 1 . 2]" 1
380 1 43 ILE HA 1 46 HIS HB2 3.560 . 5.330 3.557 3.158 3.819 . 0 0 "[ . 1 . 2]" 1
381 1 43 ILE HA 1 46 HIS QB 3.370 . 4.950 2.779 2.421 3.023 . 0 0 "[ . 1 . 2]" 1
382 1 43 ILE HA 1 46 HIS HB3 3.560 . 5.330 2.909 2.514 3.259 . 0 0 "[ . 1 . 2]" 1
383 1 43 ILE HB 1 44 GLN H 2.930 . 4.060 2.582 2.487 2.764 . 0 0 "[ . 1 . 2]" 1
384 1 43 ILE HB 1 68 TRP HE1 4.300 . 6.810 4.581 3.896 5.920 . 0 0 "[ . 1 . 2]" 1
385 1 43 ILE MD 1 43 ILE MG 3.090 . 4.380 1.938 1.894 1.977 . 0 0 "[ . 1 . 2]" 1
386 1 43 ILE MD 1 69 VAL HA 3.690 . 5.580 4.304 2.827 5.438 . 0 0 "[ . 1 . 2]" 1
387 1 43 ILE QG 1 44 GLN H 4.090 . 6.390 4.048 3.965 4.139 . 0 0 "[ . 1 . 2]" 1
388 1 43 ILE QG 1 68 TRP HE1 4.220 . 6.640 2.375 1.740 3.629 0.060 14 0 "[ . 1 . 2]" 1
389 1 43 ILE QG 1 68 TRP HZ2 4.040 . 6.280 3.574 2.463 5.125 . 0 0 "[ . 1 . 2]" 1
390 1 43 ILE MG 1 44 GLN H 3.460 . 5.130 3.317 3.092 3.530 . 0 0 "[ . 1 . 2]" 1
391 1 43 ILE MG 1 44 GLN HA 3.880 . 5.960 3.323 3.133 3.491 . 0 0 "[ . 1 . 2]" 1
392 1 43 ILE MG 1 68 TRP HD1 3.160 . 4.520 2.727 2.013 3.953 . 0 0 "[ . 1 . 2]" 1
393 1 43 ILE MG 1 68 TRP HE1 4.700 . 7.600 2.818 1.947 4.651 . 0 0 "[ . 1 . 2]" 1
394 1 43 ILE MG 1 69 VAL MG1 4.810 . 7.830 5.133 3.506 6.719 . 0 0 "[ . 1 . 2]" 1
395 1 43 ILE MG 1 69 VAL MG2 3.690 . 5.580 3.496 1.955 4.808 . 0 0 "[ . 1 . 2]" 1
396 1 43 ILE MG 1 101 ILE MD 3.560 . 5.320 5.013 4.359 5.355 0.035 18 0 "[ . 1 . 2]" 1
397 1 44 GLN H 1 44 GLN QB 2.520 . 3.240 2.339 2.159 2.511 . 0 0 "[ . 1 . 2]" 1
398 1 44 GLN H 1 44 GLN QG 2.790 . 3.790 2.970 2.136 4.003 0.213 15 0 "[ . 1 . 2]" 1
399 1 44 GLN H 1 45 LYS H 2.660 . 3.530 2.645 2.550 2.726 . 0 0 "[ . 1 . 2]" 1
400 1 44 GLN QB 1 45 LYS H 2.620 . 3.450 2.578 2.408 2.819 . 0 0 "[ . 1 . 2]" 1
401 1 44 GLN QG 1 45 LYS H 3.540 . 5.290 3.934 3.323 4.624 . 0 0 "[ . 1 . 2]" 1
402 1 45 LYS H 1 45 LYS QB 2.520 . 3.240 2.328 2.141 2.531 . 0 0 "[ . 1 . 2]" 1
403 1 45 LYS H 1 45 LYS HG2 3.520 . 5.250 3.958 3.118 4.516 . 0 0 "[ . 1 . 2]" 1
404 1 45 LYS H 1 45 LYS QG 3.200 . 4.600 3.111 2.167 3.988 . 0 0 "[ . 1 . 2]" 1
405 1 45 LYS H 1 45 LYS HG3 3.520 . 5.250 3.376 2.196 4.522 . 0 0 "[ . 1 . 2]" 1
406 1 45 LYS H 1 46 HIS H 2.820 . 3.850 2.672 2.591 2.742 . 0 0 "[ . 1 . 2]" 1
407 1 45 LYS QB 1 46 HIS H 3.010 . 4.230 2.495 2.358 2.665 . 0 0 "[ . 1 . 2]" 1
408 1 46 HIS H 1 46 HIS HB2 2.870 . 3.940 2.477 2.393 2.534 . 0 0 "[ . 1 . 2]" 1
409 1 46 HIS H 1 46 HIS HB3 2.870 . 3.940 2.591 2.530 2.653 . 0 0 "[ . 1 . 2]" 1
410 1 46 HIS H 1 47 ARG H 2.820 . 3.850 2.663 2.547 2.781 . 0 0 "[ . 1 . 2]" 1
411 1 46 HIS HA 1 49 LEU MD1 3.100 . 4.400 2.765 2.244 3.174 . 0 0 "[ . 1 . 2]" 1
412 1 46 HIS HE1 1 101 ILE MG 3.340 . 4.880 2.631 1.812 4.139 . 0 0 "[ . 1 . 2]" 1
413 1 46 HIS HE1 1 105 ALA MB 3.050 . 4.310 3.825 2.474 4.375 0.065 20 0 "[ . 1 . 2]" 1
414 1 47 ARG H 1 47 ARG QB 2.650 . 3.510 2.327 2.202 2.650 . 0 0 "[ . 1 . 2]" 1
415 1 47 ARG H 1 47 ARG QG 2.900 . 4.000 3.229 2.001 4.033 0.033 8 0 "[ . 1 . 2]" 1
416 1 47 ARG H 1 48 GLN H 3.180 . 4.560 2.656 2.576 2.745 . 0 0 "[ . 1 . 2]" 1
417 1 48 GLN H 1 48 GLN QB 2.730 . 3.660 2.266 2.062 2.467 . 0 0 "[ . 1 . 2]" 1
418 1 48 GLN H 1 48 GLN HG2 3.120 . 4.450 4.134 2.231 4.573 0.123 2 0 "[ . 1 . 2]" 1
419 1 48 GLN H 1 48 GLN QG 3.010 . 4.220 3.559 2.214 4.022 . 0 0 "[ . 1 . 2]" 1
420 1 48 GLN H 1 48 GLN HG3 3.120 . 4.450 4.054 2.254 4.480 0.030 14 0 "[ . 1 . 2]" 1
421 1 48 GLN H 1 49 LEU H 2.950 . 4.110 2.652 2.580 2.739 . 0 0 "[ . 1 . 2]" 1
422 1 48 GLN QB 1 49 LEU H 2.870 . 3.940 2.543 2.397 2.795 . 0 0 "[ . 1 . 2]" 1
423 1 49 LEU H 1 49 LEU HB2 2.970 . 4.150 2.456 2.298 2.513 . 0 0 "[ . 1 . 2]" 1
424 1 49 LEU H 1 49 LEU QB 2.790 . 3.780 2.416 2.272 2.469 . 0 0 "[ . 1 . 2]" 1
425 1 49 LEU H 1 49 LEU HB3 2.970 . 4.150 3.590 3.555 3.610 . 0 0 "[ . 1 . 2]" 1
426 1 49 LEU H 1 49 LEU MD1 3.280 . 4.770 3.566 2.133 3.689 . 0 0 "[ . 1 . 2]" 1
427 1 49 LEU H 1 49 LEU MD2 3.390 . 4.990 3.386 3.167 4.090 . 0 0 "[ . 1 . 2]" 1
428 1 49 LEU H 1 49 LEU HG 2.680 . 3.570 2.405 2.273 3.624 0.054 10 0 "[ . 1 . 2]" 1
429 1 49 LEU H 1 50 PHE H 2.890 . 3.980 2.643 2.519 2.746 . 0 0 "[ . 1 . 2]" 1
430 1 49 LEU HA 1 49 LEU MD2 2.590 . 3.390 2.110 2.001 3.587 0.197 10 0 "[ . 1 . 2]" 1
431 1 50 PHE H 1 51 ASP H 3.040 . 4.290 2.590 2.444 2.728 . 0 0 "[ . 1 . 2]" 1
432 1 67 GLN HA 1 70 GLN H 3.490 . 5.190 3.535 3.227 3.888 . 0 0 "[ . 1 . 2]" 1
433 1 68 TRP H 1 68 TRP HD1 3.200 . 4.610 4.739 3.651 4.910 0.300 12 0 "[ . 1 . 2]" 1
434 1 68 TRP HA 1 68 TRP HE3 2.970 . 4.150 2.580 2.088 3.009 . 0 0 "[ . 1 . 2]" 1
435 1 68 TRP HA 1 71 LEU H 3.370 . 4.950 3.496 3.242 3.777 . 0 0 "[ . 1 . 2]" 1
436 1 68 TRP HA 1 71 LEU HB2 3.240 . 4.690 3.260 2.642 3.897 . 0 0 "[ . 1 . 2]" 1
437 1 68 TRP HA 1 71 LEU QB 3.090 . 4.380 2.801 2.390 3.058 . 0 0 "[ . 1 . 2]" 1
438 1 68 TRP HA 1 71 LEU HB3 3.240 . 4.690 3.496 2.447 4.734 0.044 16 0 "[ . 1 . 2]" 1
439 1 68 TRP HD1 1 69 VAL MG2 3.420 . 5.050 3.267 2.619 5.239 0.189 16 0 "[ . 1 . 2]" 1
440 1 68 TRP HE1 1 101 ILE MD 4.110 . 6.430 4.577 3.103 5.496 . 0 0 "[ . 1 . 2]" 1
441 1 68 TRP HE3 1 101 ILE MD 3.400 . 5.000 3.328 2.506 4.756 . 0 0 "[ . 1 . 2]" 1
442 1 68 TRP HH2 1 97 ALA MB 3.090 . 4.390 3.598 2.615 4.293 . 0 0 "[ . 1 . 2]" 1
443 1 68 TRP HH2 1 98 LEU MD2 2.900 . 4.000 2.201 1.861 2.970 . 0 0 "[ . 1 . 2]" 1
444 1 68 TRP HH2 1 101 ILE MD 3.510 . 5.220 3.438 2.668 4.417 . 0 0 "[ . 1 . 2]" 1
445 1 68 TRP HZ2 1 98 LEU MD2 3.420 . 5.050 3.235 2.195 4.201 . 0 0 "[ . 1 . 2]" 1
446 1 68 TRP HZ2 1 101 ILE MD 2.940 . 4.090 3.896 3.261 4.164 0.074 12 0 "[ . 1 . 2]" 1
447 1 68 TRP HZ3 1 94 LEU MD1 3.210 . 4.630 2.966 1.888 3.940 . 0 0 "[ . 1 . 2]" 1
448 1 68 TRP HZ3 1 98 LEU MD1 3.690 . 5.590 4.970 3.632 5.649 0.059 9 0 "[ . 1 . 2]" 1
449 1 69 VAL H 1 69 VAL HB 2.630 . 3.470 2.526 2.485 2.574 . 0 0 "[ . 1 . 2]" 1
450 1 69 VAL H 1 69 VAL MG1 3.060 . 4.320 3.778 3.767 3.787 . 0 0 "[ . 1 . 2]" 1
451 1 69 VAL H 1 69 VAL MG2 2.610 . 3.430 2.143 2.040 2.241 . 0 0 "[ . 1 . 2]" 1
452 1 69 VAL HA 1 69 VAL MG2 2.670 . 3.540 2.358 2.333 2.395 . 0 0 "[ . 1 . 2]" 1
453 1 69 VAL HA 1 72 PHE H 3.290 . 4.780 3.392 3.167 3.588 . 0 0 "[ . 1 . 2]" 1
454 1 69 VAL HA 1 72 PHE QB 4.070 . 6.350 2.740 2.379 3.426 . 0 0 "[ . 1 . 2]" 1
455 1 69 VAL HA 1 72 PHE QD 3.230 . 4.660 3.783 1.954 4.675 0.015 7 0 "[ . 1 . 2]" 1
456 1 69 VAL HB 1 70 GLN H 2.640 . 3.480 2.706 2.603 2.786 . 0 0 "[ . 1 . 2]" 1
457 1 69 VAL MG1 1 70 GLN H 3.280 . 4.760 3.453 3.311 3.534 . 0 0 "[ . 1 . 2]" 1
458 1 69 VAL MG1 1 70 GLN HA 3.330 . 4.870 3.424 3.251 3.552 . 0 0 "[ . 1 . 2]" 1
459 1 69 VAL MG1 1 70 GLN QG 3.990 . 6.180 4.784 3.672 5.577 . 0 0 "[ . 1 . 2]" 1
460 1 69 VAL MG1 1 73 GLN HG2 4.020 . 6.250 4.166 2.159 5.978 . 0 0 "[ . 1 . 2]" 1
461 1 69 VAL MG1 1 73 GLN QG 3.840 . 5.890 3.491 2.077 4.976 . 0 0 "[ . 1 . 2]" 1
462 1 69 VAL MG1 1 73 GLN HG3 4.020 . 6.250 3.910 2.418 5.908 . 0 0 "[ . 1 . 2]" 1
463 1 69 VAL MG2 1 70 GLN H 3.370 . 4.950 3.897 3.795 3.972 . 0 0 "[ . 1 . 2]" 1
464 1 70 GLN H 1 70 GLN QB 2.690 . 3.590 2.305 2.187 2.560 . 0 0 "[ . 1 . 2]" 1
465 1 70 GLN H 1 70 GLN HG2 3.120 . 4.440 3.964 2.259 4.563 0.123 4 0 "[ . 1 . 2]" 1
466 1 70 GLN H 1 70 GLN QG 2.990 . 4.190 3.381 2.186 4.017 . 0 0 "[ . 1 . 2]" 1
467 1 70 GLN H 1 70 GLN HG3 3.120 . 4.440 3.886 2.211 4.479 0.039 15 0 "[ . 1 . 2]" 1
468 1 71 LEU H 1 71 LEU HB2 2.830 . 3.870 2.423 2.135 2.637 . 0 0 "[ . 1 . 2]" 1
469 1 71 LEU H 1 71 LEU QB 2.680 . 3.560 2.202 2.078 2.420 . 0 0 "[ . 1 . 2]" 1
470 1 71 LEU H 1 71 LEU HB3 2.830 . 3.870 2.811 2.278 3.600 . 0 0 "[ . 1 . 2]" 1
471 1 71 LEU H 1 71 LEU MD1 3.830 . 5.860 4.002 3.629 4.220 . 0 0 "[ . 1 . 2]" 1
472 1 71 LEU H 1 71 LEU HG 2.890 . 3.990 3.737 2.397 4.375 0.385 17 0 "[ . 1 . 2]" 1
473 1 71 LEU H 1 72 PHE H 2.790 . 3.790 2.649 2.538 2.730 . 0 0 "[ . 1 . 2]" 1
474 1 71 LEU H 1 73 GLN H 3.350 . 4.900 4.058 3.778 4.279 . 0 0 "[ . 1 . 2]" 1
475 1 71 LEU HB2 1 72 PHE H 3.000 . 4.200 3.417 2.562 3.965 . 0 0 "[ . 1 . 2]" 1
476 1 71 LEU HB3 1 72 PHE H 3.000 . 4.200 2.816 2.424 3.570 . 0 0 "[ . 1 . 2]" 1
477 1 71 LEU MD1 1 93 GLU QB 2.820 . 3.840 3.357 2.000 3.937 0.097 13 0 "[ . 1 . 2]" 1
478 1 71 LEU MD2 1 93 GLU QB 3.130 . 4.470 3.331 2.440 4.358 . 0 0 "[ . 1 . 2]" 1
479 1 71 LEU MD2 1 94 LEU HA 2.970 . 4.150 3.464 2.061 4.266 0.116 14 0 "[ . 1 . 2]" 1
480 1 72 PHE H 1 72 PHE HB2 2.940 . 4.080 2.465 2.241 2.656 . 0 0 "[ . 1 . 2]" 1
481 1 72 PHE H 1 72 PHE QB 2.810 . 3.820 2.274 2.217 2.436 . 0 0 "[ . 1 . 2]" 1
482 1 72 PHE H 1 72 PHE HB3 2.940 . 4.080 2.861 2.418 3.610 . 0 0 "[ . 1 . 2]" 1
483 1 72 PHE H 1 72 PHE QD 3.150 . 4.510 3.652 2.266 4.199 . 0 0 "[ . 1 . 2]" 1
484 1 72 PHE H 1 73 GLN H 2.850 . 3.900 2.631 2.503 2.750 . 0 0 "[ . 1 . 2]" 1
485 1 72 PHE HA 1 75 PHE H 3.440 . 5.090 3.368 3.153 3.792 . 0 0 "[ . 1 . 2]" 1
486 1 72 PHE HB2 1 73 GLN H 3.430 . 5.070 3.546 2.668 3.977 . 0 0 "[ . 1 . 2]" 1
487 1 72 PHE HB3 1 73 GLN H 3.430 . 5.070 2.897 2.514 3.760 . 0 0 "[ . 1 . 2]" 1
488 1 73 GLN H 1 73 GLN HB2 2.700 . 3.600 2.481 2.221 2.588 . 0 0 "[ . 1 . 2]" 1
489 1 73 GLN H 1 73 GLN HB3 2.700 . 3.600 3.030 2.473 3.614 0.014 16 0 "[ . 1 . 2]" 1
490 1 73 GLN H 1 73 GLN HG2 3.190 . 4.590 3.716 2.196 4.587 . 0 0 "[ . 1 . 2]" 1
491 1 73 GLN H 1 73 GLN QG 3.070 . 4.350 3.206 2.114 4.031 . 0 0 "[ . 1 . 2]" 1
492 1 73 GLN H 1 73 GLN HG3 3.190 . 4.590 3.860 2.137 4.606 0.016 6 0 "[ . 1 . 2]" 1
493 1 73 GLN H 1 74 ARG H 2.630 . 3.460 2.684 2.613 2.732 . 0 0 "[ . 1 . 2]" 1
494 1 73 GLN HA 1 76 ARG H 3.050 . 4.310 3.455 3.179 4.027 . 0 0 "[ . 1 . 2]" 1
495 1 73 GLN QB 1 74 ARG H 3.020 . 4.250 2.516 2.430 2.704 . 0 0 "[ . 1 . 2]" 1
496 1 73 GLN HB2 1 74 ARG H 3.210 . 4.620 3.266 2.478 3.884 . 0 0 "[ . 1 . 2]" 1
497 1 73 GLN HB3 1 74 ARG H 3.210 . 4.620 3.010 2.460 3.754 . 0 0 "[ . 1 . 2]" 1
498 1 74 ARG H 1 74 ARG QB 2.800 . 3.800 2.337 2.172 2.586 . 0 0 "[ . 1 . 2]" 1
499 1 74 ARG H 1 75 PHE H 2.700 . 3.600 2.645 2.557 2.732 . 0 0 "[ . 1 . 2]" 1
500 1 74 ARG QB 1 90 LEU MD1 3.860 . 5.930 3.095 1.870 4.314 . 0 0 "[ . 1 . 2]" 1
501 1 74 ARG QB 1 90 LEU MD2 3.560 . 5.320 3.117 2.235 3.703 . 0 0 "[ . 1 . 2]" 1
502 1 74 ARG HB2 1 75 PHE H 3.480 . 5.170 3.277 2.411 3.992 . 0 0 "[ . 1 . 2]" 1
503 1 74 ARG HB3 1 75 PHE H 3.480 . 5.170 3.137 2.547 3.822 . 0 0 "[ . 1 . 2]" 1
504 1 75 PHE H 1 75 PHE HB2 2.820 . 3.850 2.494 2.432 2.623 . 0 0 "[ . 1 . 2]" 1
505 1 75 PHE H 1 75 PHE QB 2.700 . 3.610 2.241 2.217 2.266 . 0 0 "[ . 1 . 2]" 1
506 1 75 PHE H 1 75 PHE HB3 2.820 . 3.850 2.541 2.475 2.594 . 0 0 "[ . 1 . 2]" 1
507 1 75 PHE H 1 75 PHE QD 3.080 . 4.370 4.178 4.158 4.199 . 0 0 "[ . 1 . 2]" 1
508 1 75 PHE H 1 76 ARG H 2.870 . 3.940 2.688 2.626 2.787 . 0 0 "[ . 1 . 2]" 1
509 1 75 PHE H 1 90 LEU MD1 4.180 . 6.560 3.259 2.589 4.069 . 0 0 "[ . 1 . 2]" 1
510 1 75 PHE H 1 90 LEU MD2 3.900 . 6.000 4.269 3.307 4.840 . 0 0 "[ . 1 . 2]" 1
511 1 75 PHE HA 1 78 ALA H 2.930 . 4.060 3.562 3.347 3.731 . 0 0 "[ . 1 . 2]" 1
512 1 75 PHE HA 1 78 ALA MB 3.040 . 4.290 2.820 2.602 3.182 . 0 0 "[ . 1 . 2]" 1
513 1 75 PHE HA 1 90 LEU MD1 2.830 . 3.870 1.980 1.763 2.784 0.027 5 0 "[ . 1 . 2]" 1
514 1 75 PHE HA 1 90 LEU MD2 3.210 . 4.630 3.943 2.948 4.395 . 0 0 "[ . 1 . 2]" 1
515 1 75 PHE HB2 1 76 ARG H 3.160 . 4.530 3.807 3.761 3.858 . 0 0 "[ . 1 . 2]" 1
516 1 75 PHE HB3 1 76 ARG H 3.160 . 4.530 2.502 2.449 2.571 . 0 0 "[ . 1 . 2]" 1
517 1 75 PHE QD 1 79 ILE MD 3.430 . 5.070 3.103 2.714 3.990 . 0 0 "[ . 1 . 2]" 1
518 1 75 PHE QD 1 87 LEU MD2 3.050 . 4.310 3.026 2.696 3.706 . 0 0 "[ . 1 . 2]" 1
519 1 75 PHE QD 1 90 LEU MD1 3.950 . 6.110 2.353 1.941 3.114 . 0 0 "[ . 1 . 2]" 1
520 1 75 PHE QD 1 90 LEU MD2 3.080 . 4.370 3.848 2.394 4.371 0.001 20 0 "[ . 1 . 2]" 1
521 1 75 PHE QD 1 94 LEU MD2 3.300 . 4.800 4.141 3.150 4.869 0.069 19 0 "[ . 1 . 2]" 1
522 1 75 PHE QE 1 94 LEU MD2 3.490 . 5.180 4.117 2.780 4.897 . 0 0 "[ . 1 . 2]" 1
523 1 76 ARG H 1 76 ARG HB2 3.000 . 4.200 2.559 2.051 3.668 . 0 0 "[ . 1 . 2]" 1
524 1 76 ARG H 1 76 ARG QB 2.830 . 3.870 2.297 2.024 2.656 . 0 0 "[ . 1 . 2]" 1
525 1 76 ARG H 1 76 ARG HB3 3.000 . 4.200 2.901 2.368 3.605 . 0 0 "[ . 1 . 2]" 1
526 1 76 ARG H 1 76 ARG QG 3.310 . 4.820 3.345 2.118 4.054 . 0 0 "[ . 1 . 2]" 1
527 1 76 ARG HA 1 79 ILE HB 3.380 . 4.970 2.831 2.304 3.095 . 0 0 "[ . 1 . 2]" 1
528 1 76 ARG HA 1 79 ILE MD 3.060 . 4.330 2.683 2.104 4.417 0.087 20 0 "[ . 1 . 2]" 1
529 1 76 ARG HA 1 79 ILE MG 3.470 . 5.150 4.123 3.672 4.350 . 0 0 "[ . 1 . 2]" 1
530 1 76 ARG QB 1 77 GLU H 3.120 . 4.440 2.669 2.452 3.586 . 0 0 "[ . 1 . 2]" 1
531 1 76 ARG HB2 1 77 GLU H 3.280 . 4.770 3.468 2.554 4.003 . 0 0 "[ . 1 . 2]" 1
532 1 76 ARG HB3 1 77 GLU H 3.280 . 4.770 3.018 2.488 4.150 . 0 0 "[ . 1 . 2]" 1
533 1 77 GLU H 1 77 GLU HB2 2.800 . 3.800 2.463 2.289 2.630 . 0 0 "[ . 1 . 2]" 1
534 1 77 GLU H 1 77 GLU HB3 2.800 . 3.800 3.064 2.415 3.601 . 0 0 "[ . 1 . 2]" 1
535 1 77 GLU H 1 77 GLU HG2 3.180 . 4.570 3.691 2.210 4.597 0.027 2 0 "[ . 1 . 2]" 1
536 1 77 GLU H 1 77 GLU QG 3.020 . 4.250 3.139 2.070 4.052 . 0 0 "[ . 1 . 2]" 1
537 1 77 GLU H 1 77 GLU HG3 3.180 . 4.570 3.727 2.092 4.524 . 0 0 "[ . 1 . 2]" 1
538 1 77 GLU H 1 78 ALA H 2.540 . 3.280 2.698 2.616 2.742 . 0 0 "[ . 1 . 2]" 1
539 1 77 GLU H 1 78 ALA MB 3.870 . 5.950 4.360 4.278 4.405 . 0 0 "[ . 1 . 2]" 1
540 1 77 GLU HA 1 80 ASP H 3.260 . 4.730 3.389 3.115 3.556 . 0 0 "[ . 1 . 2]" 1
541 1 77 GLU HA 1 80 ASP HB2 3.060 . 4.320 3.507 3.035 3.965 . 0 0 "[ . 1 . 2]" 1
542 1 77 GLU HA 1 80 ASP QB 2.960 . 4.130 2.619 2.275 2.930 . 0 0 "[ . 1 . 2]" 1
543 1 77 GLU HA 1 80 ASP HB3 3.060 . 4.320 2.713 2.330 3.125 . 0 0 "[ . 1 . 2]" 1
544 1 77 GLU HB2 1 78 ALA H 2.920 . 4.050 3.215 2.528 3.901 . 0 0 "[ . 1 . 2]" 1
545 1 77 GLU HB3 1 78 ALA H 2.920 . 4.050 3.044 2.393 3.714 . 0 0 "[ . 1 . 2]" 1
546 1 78 ALA H 1 78 ALA MB 2.660 . 3.530 2.234 2.218 2.242 . 0 0 "[ . 1 . 2]" 1
547 1 78 ALA H 1 79 ILE H 2.730 . 3.660 2.673 2.603 2.732 . 0 0 "[ . 1 . 2]" 1
548 1 78 ALA H 1 90 LEU MD1 3.740 . 5.680 4.042 3.595 5.137 . 0 0 "[ . 1 . 2]" 1
549 1 78 ALA HA 1 83 ASP H 3.200 . 4.610 3.618 3.114 3.992 . 0 0 "[ . 1 . 2]" 1
550 1 78 ALA HA 1 83 ASP HB2 3.250 . 4.710 4.017 2.635 4.748 0.038 12 0 "[ . 1 . 2]" 1
551 1 78 ALA HA 1 83 ASP QB 3.170 . 4.550 3.041 2.468 3.576 . 0 0 "[ . 1 . 2]" 1
552 1 78 ALA HA 1 83 ASP HB3 3.250 . 4.710 3.224 2.549 4.258 . 0 0 "[ . 1 . 2]" 1
553 1 78 ALA MB 1 79 ILE H 3.040 . 4.290 2.628 2.537 2.690 . 0 0 "[ . 1 . 2]" 1
554 1 78 ALA MB 1 79 ILE MD 3.550 . 5.300 4.475 3.679 4.700 . 0 0 "[ . 1 . 2]" 1
555 1 78 ALA MB 1 80 ASP H 3.790 . 5.780 4.576 4.478 4.675 . 0 0 "[ . 1 . 2]" 1
556 1 78 ALA MB 1 83 ASP H 3.170 . 4.550 3.697 3.415 3.882 . 0 0 "[ . 1 . 2]" 1
557 1 78 ALA MB 1 83 ASP HB2 3.870 . 5.940 4.147 2.289 4.754 . 0 0 "[ . 1 . 2]" 1
558 1 78 ALA MB 1 83 ASP QB 3.730 . 5.660 2.728 2.242 3.185 . 0 0 "[ . 1 . 2]" 1
559 1 78 ALA MB 1 83 ASP HB3 3.870 . 5.940 2.812 2.311 3.236 . 0 0 "[ . 1 . 2]" 1
560 1 78 ALA MB 1 86 SER QB 3.040 . 4.290 2.373 1.924 3.095 . 0 0 "[ . 1 . 2]" 1
561 1 78 ALA MB 1 87 LEU H 3.040 . 4.280 3.368 3.174 3.856 . 0 0 "[ . 1 . 2]" 1
562 1 78 ALA MB 1 87 LEU MD2 3.020 . 4.240 1.937 1.879 2.024 . 0 0 "[ . 1 . 2]" 1
563 1 78 ALA MB 1 90 LEU MD1 3.050 . 4.310 2.575 2.145 4.141 . 0 0 "[ . 1 . 2]" 1
564 1 79 ILE H 1 79 ILE HB 2.810 . 3.830 2.523 2.443 2.561 . 0 0 "[ . 1 . 2]" 1
565 1 79 ILE H 1 79 ILE MD 3.300 . 4.800 3.596 3.306 3.672 . 0 0 "[ . 1 . 2]" 1
566 1 79 ILE H 1 79 ILE HG12 3.350 . 4.910 3.255 2.178 3.518 . 0 0 "[ . 1 . 2]" 1
567 1 79 ILE H 1 79 ILE QG 3.200 . 4.610 2.177 2.086 2.281 . 0 0 "[ . 1 . 2]" 1
568 1 79 ILE H 1 79 ILE HG13 3.350 . 4.910 2.408 2.107 3.667 . 0 0 "[ . 1 . 2]" 1
569 1 79 ILE H 1 79 ILE MG 3.100 . 4.410 3.782 3.761 3.793 . 0 0 "[ . 1 . 2]" 1
570 1 79 ILE H 1 80 ASP H 2.660 . 3.520 2.616 2.523 2.687 . 0 0 "[ . 1 . 2]" 1
571 1 79 ILE HA 1 79 ILE MD 2.940 . 4.090 3.573 2.052 3.854 . 0 0 "[ . 1 . 2]" 1
572 1 79 ILE HA 1 82 GLY H 3.150 . 4.510 3.379 3.143 3.619 . 0 0 "[ . 1 . 2]" 1
573 1 79 ILE HB 1 80 ASP H 2.670 . 3.550 2.539 2.443 2.679 . 0 0 "[ . 1 . 2]" 1
574 1 79 ILE MD 1 80 ASP H 3.610 . 5.430 4.561 4.467 4.703 . 0 0 "[ . 1 . 2]" 1
575 1 79 ILE MD 1 87 LEU QB 3.630 . 5.460 4.728 3.589 5.292 . 0 0 "[ . 1 . 2]" 1
576 1 79 ILE MG 1 80 ASP H 3.050 . 4.310 3.354 3.163 3.500 . 0 0 "[ . 1 . 2]" 1
577 1 79 ILE MG 1 80 ASP HA 3.390 . 4.990 3.351 3.154 3.521 . 0 0 "[ . 1 . 2]" 1
578 1 80 ASP H 1 80 ASP HB2 2.720 . 3.640 2.563 2.376 2.640 . 0 0 "[ . 1 . 2]" 1
579 1 80 ASP H 1 80 ASP QB 2.590 . 3.390 2.246 2.209 2.274 . 0 0 "[ . 1 . 2]" 1
580 1 80 ASP H 1 80 ASP HB3 2.720 . 3.640 2.492 2.387 2.625 . 0 0 "[ . 1 . 2]" 1
581 1 80 ASP H 1 81 LYS H 2.690 . 3.580 2.633 2.539 2.689 . 0 0 "[ . 1 . 2]" 1
582 1 80 ASP H 1 82 GLY H 3.330 . 4.870 3.823 3.726 3.876 . 0 0 "[ . 1 . 2]" 1
583 1 80 ASP HB2 1 81 LYS H 3.050 . 4.310 3.973 3.816 4.048 . 0 0 "[ . 1 . 2]" 1
584 1 80 ASP HB3 1 81 LYS H 3.050 . 4.310 2.750 2.650 2.922 . 0 0 "[ . 1 . 2]" 1
585 1 81 LYS H 1 81 LYS HB2 2.840 . 3.880 2.505 2.281 2.690 . 0 0 "[ . 1 . 2]" 1
586 1 81 LYS H 1 81 LYS QB 2.700 . 3.600 2.377 2.181 2.625 . 0 0 "[ . 1 . 2]" 1
587 1 81 LYS H 1 81 LYS HB3 2.840 . 3.880 3.279 2.310 3.676 . 0 0 "[ . 1 . 2]" 1
588 1 81 LYS H 1 81 LYS QD 2.950 . 4.110 3.658 2.408 4.311 0.201 8 0 "[ . 1 . 2]" 1
589 1 81 LYS H 1 81 LYS QG 3.000 . 4.200 2.966 2.163 4.064 . 0 0 "[ . 1 . 2]" 1
590 1 81 LYS H 1 82 GLY H 2.690 . 3.580 2.408 2.203 2.471 . 0 0 "[ . 1 . 2]" 1
591 1 81 LYS H 1 83 ASP H 3.390 . 4.990 3.804 3.624 3.954 . 0 0 "[ . 1 . 2]" 1
592 1 81 LYS QB 1 83 ASP H 3.330 . 4.870 2.931 2.604 3.414 . 0 0 "[ . 1 . 2]" 1
593 1 81 LYS HB2 1 83 ASP H 3.480 . 5.160 3.500 2.686 4.705 . 0 0 "[ . 1 . 2]" 1
594 1 81 LYS HB3 1 83 ASP H 3.480 . 5.160 3.704 2.835 4.519 . 0 0 "[ . 1 . 2]" 1
595 1 82 GLY H 1 83 ASP H 2.660 . 3.520 2.529 2.439 2.595 . 0 0 "[ . 1 . 2]" 1
596 1 83 ASP H 1 83 ASP HB2 2.750 . 3.710 2.710 2.362 2.966 . 0 0 "[ . 1 . 2]" 1
597 1 83 ASP H 1 83 ASP QB 2.660 . 3.530 2.370 2.317 2.431 . 0 0 "[ . 1 . 2]" 1
598 1 83 ASP H 1 83 ASP HB3 2.750 . 3.710 2.667 2.542 3.611 . 0 0 "[ . 1 . 2]" 1
599 1 83 ASP QB 1 86 SER H 4.130 . 6.470 3.467 2.721 3.704 . 0 0 "[ . 1 . 2]" 1
600 1 84 LYS H 1 84 LYS QB 2.750 . 3.710 2.401 2.211 2.586 . 0 0 "[ . 1 . 2]" 1
601 1 84 LYS H 1 84 LYS QG 3.940 . 6.080 2.749 1.930 4.054 . 0 0 "[ . 1 . 2]" 1
602 1 84 LYS HA 1 87 LEU H 2.940 . 4.090 3.219 3.071 3.600 . 0 0 "[ . 1 . 2]" 1
603 1 84 LYS HA 1 87 LEU HB2 3.140 . 4.480 2.326 1.934 3.278 . 0 0 "[ . 1 . 2]" 1
604 1 84 LYS HA 1 87 LEU QB 2.980 . 4.170 2.305 1.925 3.209 . 0 0 "[ . 1 . 2]" 1
605 1 84 LYS HA 1 87 LEU HB3 3.140 . 4.480 3.821 3.508 4.569 0.089 20 0 "[ . 1 . 2]" 1
606 1 84 LYS HA 1 87 LEU MD2 2.920 . 4.040 4.160 4.027 4.243 0.203 12 0 "[ . 1 . 2]" 1
607 1 85 ASP H 1 85 ASP QB 2.720 . 3.640 2.343 2.206 2.654 . 0 0 "[ . 1 . 2]" 1
608 1 85 ASP H 1 86 SER H 3.060 . 4.330 2.759 2.635 2.844 . 0 0 "[ . 1 . 2]" 1
609 1 85 ASP HA 1 88 GLU H 3.340 . 4.890 3.761 3.438 4.062 . 0 0 "[ . 1 . 2]" 1
610 1 85 ASP QB 1 86 SER H 2.750 . 3.700 2.651 2.352 3.564 . 0 0 "[ . 1 . 2]" 1
611 1 86 SER H 1 86 SER QB 2.700 . 3.610 2.523 2.272 2.727 . 0 0 "[ . 1 . 2]" 1
612 1 86 SER QB 1 87 LEU H 2.900 . 4.010 2.799 2.597 3.480 . 0 0 "[ . 1 . 2]" 1
613 1 86 SER QB 1 90 LEU MD1 3.710 . 5.630 2.996 2.568 4.527 . 0 0 "[ . 1 . 2]" 1
614 1 87 LEU H 1 87 LEU HB2 2.890 . 3.980 2.479 2.347 2.558 . 0 0 "[ . 1 . 2]" 1
615 1 87 LEU H 1 87 LEU QB 2.700 . 3.600 2.437 2.316 2.506 . 0 0 "[ . 1 . 2]" 1
616 1 87 LEU H 1 87 LEU HB3 2.890 . 3.980 3.589 3.551 3.603 . 0 0 "[ . 1 . 2]" 1
617 1 87 LEU H 1 87 LEU MD2 3.450 . 5.100 3.310 3.069 3.662 . 0 0 "[ . 1 . 2]" 1
618 1 87 LEU H 1 87 LEU HG 2.730 . 3.670 2.290 2.152 2.476 . 0 0 "[ . 1 . 2]" 1
619 1 87 LEU H 1 88 GLU H 2.760 . 3.730 2.772 2.677 2.849 . 0 0 "[ . 1 . 2]" 1
620 1 87 LEU H 1 89 GLN H 4.010 . 6.230 4.214 4.073 4.422 . 0 0 "[ . 1 . 2]" 1
621 1 87 LEU HA 1 87 LEU MD2 2.950 . 4.100 2.006 1.965 2.043 . 0 0 "[ . 1 . 2]" 1
622 1 87 LEU HA 1 90 LEU H 3.140 . 4.480 3.456 3.235 3.678 . 0 0 "[ . 1 . 2]" 1
623 1 87 LEU HA 1 90 LEU MD1 3.030 . 4.270 2.583 1.973 4.580 0.310 10 0 "[ . 1 . 2]" 1
624 1 87 LEU QB 1 88 GLU H 2.970 . 4.140 2.478 2.358 2.616 . 0 0 "[ . 1 . 2]" 1
625 1 87 LEU HB2 1 88 GLU H 3.140 . 4.480 2.534 2.399 2.689 . 0 0 "[ . 1 . 2]" 1
626 1 87 LEU HB3 1 88 GLU H 3.140 . 4.480 3.518 3.404 3.672 . 0 0 "[ . 1 . 2]" 1
627 1 87 LEU MD2 1 88 GLU H 3.640 . 5.490 4.632 4.552 4.694 . 0 0 "[ . 1 . 2]" 1
628 1 87 LEU MD2 1 90 LEU MD1 3.110 . 4.430 2.572 1.976 4.463 0.033 10 0 "[ . 1 . 2]" 1
629 1 88 GLU H 1 88 GLU HB2 2.680 . 3.570 2.557 2.289 3.602 0.032 2 0 "[ . 1 . 2]" 1
630 1 88 GLU H 1 88 GLU QB 2.580 . 3.370 2.350 2.188 2.694 . 0 0 "[ . 1 . 2]" 1
631 1 88 GLU H 1 88 GLU HB3 2.680 . 3.570 3.004 2.379 3.603 0.033 7 0 "[ . 1 . 2]" 1
632 1 88 GLU H 1 88 GLU QG 3.150 . 4.500 3.128 1.836 4.055 . 0 0 "[ . 1 . 2]" 1
633 1 88 GLU H 1 89 GLN H 2.750 . 3.710 2.718 2.629 2.850 . 0 0 "[ . 1 . 2]" 1
634 1 88 GLU HA 1 91 LEU H 3.090 . 4.380 3.564 3.160 3.873 . 0 0 "[ . 1 . 2]" 1
635 1 88 GLU HA 1 91 LEU MD1 3.140 . 4.480 2.302 1.991 2.663 . 0 0 "[ . 1 . 2]" 1
636 1 89 GLN H 1 89 GLN QB 2.540 . 3.280 2.323 2.183 2.529 . 0 0 "[ . 1 . 2]" 1
637 1 89 GLN H 1 89 GLN HG2 3.090 . 4.380 3.761 2.222 4.544 0.164 5 0 "[ . 1 . 2]" 1
638 1 89 GLN H 1 89 GLN QG 2.980 . 4.160 3.176 2.001 4.000 . 0 0 "[ . 1 . 2]" 1
639 1 89 GLN H 1 89 GLN HG3 3.090 . 4.380 3.727 2.022 4.528 0.148 12 0 "[ . 1 . 2]" 1
640 1 89 GLN H 1 90 LEU H 2.740 . 3.690 2.587 2.494 2.712 . 0 0 "[ . 1 . 2]" 1
641 1 89 GLN QB 1 90 LEU H 2.920 . 4.050 2.552 2.441 2.693 . 0 0 "[ . 1 . 2]" 1
642 1 90 LEU H 1 90 LEU MD1 3.380 . 4.970 3.619 3.255 4.040 . 0 0 "[ . 1 . 2]" 1
643 1 90 LEU H 1 90 LEU MD2 3.360 . 4.920 3.437 2.435 3.901 . 0 0 "[ . 1 . 2]" 1
644 1 90 LEU H 1 90 LEU HG 2.930 . 4.070 2.504 2.225 3.911 . 0 0 "[ . 1 . 2]" 1
645 1 90 LEU H 1 91 LEU H 2.880 . 3.960 2.680 2.563 2.745 . 0 0 "[ . 1 . 2]" 1
646 1 90 LEU HA 1 90 LEU MD2 2.730 . 3.660 2.033 1.944 2.240 . 0 0 "[ . 1 . 2]" 1
647 1 90 LEU HA 1 93 GLU H 3.310 . 4.830 3.311 3.154 3.618 . 0 0 "[ . 1 . 2]" 1
648 1 90 LEU HA 1 93 GLU QB 2.800 . 3.800 2.595 2.284 2.944 . 0 0 "[ . 1 . 2]" 1
649 1 90 LEU MD2 1 93 GLU QB 2.940 . 4.080 3.305 2.832 4.027 . 0 0 "[ . 1 . 2]" 1
650 1 91 LEU H 1 91 LEU MD1 3.340 . 4.880 3.619 3.511 3.688 . 0 0 "[ . 1 . 2]" 1
651 1 91 LEU H 1 91 LEU MD2 3.330 . 4.860 3.407 3.180 3.601 . 0 0 "[ . 1 . 2]" 1
652 1 91 LEU H 1 91 LEU HG 2.730 . 3.670 2.358 2.176 2.487 . 0 0 "[ . 1 . 2]" 1
653 1 91 LEU H 1 92 GLU H 2.700 . 3.610 2.706 2.615 2.773 . 0 0 "[ . 1 . 2]" 1
654 1 91 LEU H 1 93 GLU H 3.080 . 4.370 4.215 4.054 4.361 . 0 0 "[ . 1 . 2]" 1
655 1 91 LEU HA 1 91 LEU MD1 3.600 . 5.400 3.863 3.844 3.883 . 0 0 "[ . 1 . 2]" 1
656 1 91 LEU HA 1 91 LEU MD2 2.880 . 3.960 2.045 2.008 2.094 . 0 0 "[ . 1 . 2]" 1
657 1 91 LEU HB2 1 92 GLU H 3.120 . 4.450 2.648 2.496 2.773 . 0 0 "[ . 1 . 2]" 1
658 1 91 LEU HB3 1 92 GLU H 3.120 . 4.450 3.595 3.414 3.760 . 0 0 "[ . 1 . 2]" 1
659 1 91 LEU MD2 1 95 GLU H 3.750 . 5.700 5.250 4.866 5.722 0.022 12 0 "[ . 1 . 2]" 1
660 1 92 GLU H 1 92 GLU QB 2.450 . 3.100 2.340 2.213 2.511 . 0 0 "[ . 1 . 2]" 1
661 1 92 GLU H 1 92 GLU QG 2.930 . 4.060 3.037 2.079 4.042 . 0 0 "[ . 1 . 2]" 1
662 1 92 GLU H 1 93 GLU H 2.640 . 3.480 2.625 2.529 2.727 . 0 0 "[ . 1 . 2]" 1
663 1 92 GLU HA 1 95 GLU H 3.050 . 4.300 3.564 3.255 3.872 . 0 0 "[ . 1 . 2]" 1
664 1 92 GLU QB 1 93 GLU H 2.720 . 3.640 2.483 2.411 2.608 . 0 0 "[ . 1 . 2]" 1
665 1 92 GLU QG 1 93 GLU H 3.140 . 4.490 3.825 3.436 4.224 . 0 0 "[ . 1 . 2]" 1
666 1 93 GLU H 1 93 GLU QB 2.360 . 2.930 2.347 2.196 2.500 . 0 0 "[ . 1 . 2]" 1
667 1 93 GLU H 1 93 GLU QG 2.990 . 4.190 2.906 2.067 4.041 . 0 0 "[ . 1 . 2]" 1
668 1 93 GLU H 1 94 LEU H 2.740 . 3.680 2.592 2.483 2.714 . 0 0 "[ . 1 . 2]" 1
669 1 93 GLU QB 1 94 LEU H 2.640 . 3.490 2.576 2.416 2.803 . 0 0 "[ . 1 . 2]" 1
670 1 94 LEU H 1 94 LEU HB2 2.730 . 3.670 2.413 2.219 2.514 . 0 0 "[ . 1 . 2]" 1
671 1 94 LEU H 1 94 LEU HB3 2.730 . 3.670 2.591 2.403 3.514 . 0 0 "[ . 1 . 2]" 1
672 1 94 LEU H 1 94 LEU HG 3.200 . 4.610 4.426 4.004 4.517 . 0 0 "[ . 1 . 2]" 1
673 1 94 LEU H 1 95 GLU H 2.820 . 3.850 2.712 2.591 2.794 . 0 0 "[ . 1 . 2]" 1
674 1 94 LEU HA 1 94 LEU MD1 2.830 . 3.860 2.137 2.052 2.405 . 0 0 "[ . 1 . 2]" 1
675 1 94 LEU HA 1 94 LEU MD2 3.840 . 5.880 3.880 3.808 3.926 . 0 0 "[ . 1 . 2]" 1
676 1 94 LEU MD1 1 97 ALA MB 3.240 . 4.690 3.064 2.712 4.004 . 0 0 "[ . 1 . 2]" 1
677 1 95 GLU H 1 95 GLU HG2 3.180 . 4.560 3.994 2.319 4.580 0.020 20 0 "[ . 1 . 2]" 1
678 1 95 GLU H 1 95 GLU QG 3.080 . 4.370 3.324 2.175 4.045 . 0 0 "[ . 1 . 2]" 1
679 1 95 GLU H 1 95 GLU HG3 3.180 . 4.560 3.725 2.206 4.503 . 0 0 "[ . 1 . 2]" 1
680 1 95 GLU H 1 96 GLN H 2.790 . 3.780 2.710 2.630 2.820 . 0 0 "[ . 1 . 2]" 1
681 1 95 GLU QG 1 96 GLN H 3.520 . 5.250 3.839 3.360 4.286 . 0 0 "[ . 1 . 2]" 1
682 1 96 GLN H 1 96 GLN HG2 2.950 . 4.100 3.290 2.102 4.422 0.322 16 0 "[ . 1 . 2]" 1
683 1 96 GLN H 1 96 GLN QG 2.860 . 3.930 2.554 2.057 3.892 . 0 0 "[ . 1 . 2]" 1
684 1 96 GLN H 1 96 GLN HG3 2.950 . 4.100 3.079 2.078 4.321 0.221 18 0 "[ . 1 . 2]" 1
685 1 96 GLN H 1 97 ALA H 2.650 . 3.500 2.623 2.580 2.694 . 0 0 "[ . 1 . 2]" 1
686 1 96 GLN H 1 97 ALA MB 3.890 . 5.980 4.302 4.258 4.367 . 0 0 "[ . 1 . 2]" 1
687 1 96 GLN HA 1 99 GLN H 2.770 . 3.750 3.457 3.284 3.728 . 0 0 "[ . 1 . 2]" 1
688 1 96 GLN QB 1 97 ALA H 2.570 . 3.350 2.609 2.526 2.742 . 0 0 "[ . 1 . 2]" 1
689 1 97 ALA H 1 97 ALA MB 2.570 . 3.350 2.236 2.230 2.244 . 0 0 "[ . 1 . 2]" 1
690 1 97 ALA H 1 98 LEU H 2.660 . 3.530 2.656 2.581 2.757 . 0 0 "[ . 1 . 2]" 1
691 1 97 ALA HA 1 100 LYS H 2.860 . 3.920 3.385 3.239 3.629 . 0 0 "[ . 1 . 2]" 1
692 1 98 LEU H 1 98 LEU QB 2.840 . 3.880 2.383 2.287 2.452 . 0 0 "[ . 1 . 2]" 1
693 1 98 LEU H 1 98 LEU MD1 3.440 . 5.090 3.632 3.456 3.841 . 0 0 "[ . 1 . 2]" 1
694 1 98 LEU H 1 98 LEU MD2 3.220 . 4.640 3.089 2.078 3.682 . 0 0 "[ . 1 . 2]" 1
695 1 98 LEU H 1 98 LEU HG 2.850 . 3.900 2.750 2.231 4.041 0.141 8 0 "[ . 1 . 2]" 1
696 1 98 LEU H 1 99 GLN H 2.790 . 3.790 2.652 2.592 2.695 . 0 0 "[ . 1 . 2]" 1
697 1 98 LEU HA 1 98 LEU MD1 3.190 . 4.580 3.391 1.942 3.878 . 0 0 "[ . 1 . 2]" 1
698 1 98 LEU HA 1 98 LEU MD2 2.600 . 3.400 2.177 1.987 2.900 . 0 0 "[ . 1 . 2]" 1
699 1 98 LEU HA 1 101 ILE H 3.220 . 4.640 3.354 3.035 3.705 . 0 0 "[ . 1 . 2]" 1
700 1 98 LEU HA 1 101 ILE MD 3.110 . 4.430 2.596 2.267 3.269 . 0 0 "[ . 1 . 2]" 1
701 1 98 LEU HB2 1 99 GLN H 2.980 . 4.160 2.712 2.457 2.989 . 0 0 "[ . 1 . 2]" 1
702 1 98 LEU HB3 1 99 GLN H 2.980 . 4.160 3.600 3.498 3.778 . 0 0 "[ . 1 . 2]" 1
703 1 99 GLN H 1 99 GLN QB 2.480 . 3.160 2.357 2.166 2.620 . 0 0 "[ . 1 . 2]" 1
704 1 99 GLN H 1 99 GLN QG 2.780 . 3.760 2.964 1.926 3.991 0.231 10 0 "[ . 1 . 2]" 1
705 1 99 GLN H 1 100 LYS H 2.700 . 3.610 2.594 2.464 2.657 . 0 0 "[ . 1 . 2]" 1
706 1 99 GLN H 1 100 LYS QB 3.180 . 4.570 4.399 4.138 4.647 0.077 5 0 "[ . 1 . 2]" 1
707 1 99 GLN HA 1 99 GLN QG 2.870 . 3.940 2.814 2.400 3.148 . 0 0 "[ . 1 . 2]" 1
708 1 99 GLN QB 1 100 LYS H 2.720 . 3.650 2.508 2.396 2.624 . 0 0 "[ . 1 . 2]" 1
709 1 99 GLN QG 1 100 LYS H 3.280 . 4.760 3.752 3.229 4.126 . 0 0 "[ . 1 . 2]" 1
710 1 100 LYS H 1 100 LYS QB 2.470 . 3.140 2.290 2.181 2.511 . 0 0 "[ . 1 . 2]" 1
711 1 100 LYS H 1 100 LYS QD 3.600 . 5.410 4.169 3.697 4.700 . 0 0 "[ . 1 . 2]" 1
712 1 100 LYS H 1 100 LYS QG 3.080 . 4.370 3.343 2.030 3.977 . 0 0 "[ . 1 . 2]" 1
713 1 100 LYS H 1 101 ILE QG 3.490 . 5.190 4.274 4.129 4.453 . 0 0 "[ . 1 . 2]" 1
714 1 100 LYS QB 1 104 LEU MD1 3.400 . 5.000 3.945 2.837 4.941 . 0 0 "[ . 1 . 2]" 1
715 1 101 ILE H 1 101 ILE HB 2.750 . 3.700 2.505 2.451 2.532 . 0 0 "[ . 1 . 2]" 1
716 1 101 ILE H 1 101 ILE MD 3.190 . 4.590 3.630 3.585 3.709 . 0 0 "[ . 1 . 2]" 1
717 1 101 ILE H 1 101 ILE HG12 3.010 . 4.220 3.439 3.391 3.548 . 0 0 "[ . 1 . 2]" 1
718 1 101 ILE H 1 101 ILE QG 2.860 . 3.920 2.177 2.128 2.264 . 0 0 "[ . 1 . 2]" 1
719 1 101 ILE H 1 101 ILE HG13 3.010 . 4.220 2.201 2.149 2.290 . 0 0 "[ . 1 . 2]" 1
720 1 101 ILE H 1 101 ILE MG 3.020 . 4.240 3.775 3.755 3.787 . 0 0 "[ . 1 . 2]" 1
721 1 101 ILE H 1 102 ARG H 2.740 . 3.690 2.697 2.599 2.769 . 0 0 "[ . 1 . 2]" 1
722 1 101 ILE HA 1 101 ILE MD 3.310 . 4.820 3.820 3.789 3.843 . 0 0 "[ . 1 . 2]" 1
723 1 101 ILE HA 1 104 LEU MD1 3.200 . 4.610 2.640 2.174 3.598 . 0 0 "[ . 1 . 2]" 1
724 1 101 ILE HB 1 102 ARG H 3.340 . 4.880 2.625 2.516 2.751 . 0 0 "[ . 1 . 2]" 1
725 1 101 ILE MD 1 101 ILE MG 2.910 . 4.030 1.925 1.898 1.943 . 0 0 "[ . 1 . 2]" 1
726 1 101 ILE QG 1 104 LEU MD1 3.530 . 5.260 3.492 2.682 4.527 . 0 0 "[ . 1 . 2]" 1
727 1 101 ILE MG 1 102 ARG H 3.250 . 4.700 3.351 3.196 3.481 . 0 0 "[ . 1 . 2]" 1
728 1 102 ARG H 1 102 ARG QG 3.890 . 5.980 3.159 2.179 4.063 . 0 0 "[ . 1 . 2]" 1
729 1 102 ARG H 1 103 GLU H 2.730 . 3.660 2.701 2.619 2.757 . 0 0 "[ . 1 . 2]" 1
730 1 102 ARG HB2 1 103 GLU H 2.940 . 4.090 3.246 2.504 4.061 . 0 0 "[ . 1 . 2]" 1
731 1 102 ARG HB3 1 103 GLU H 2.940 . 4.090 3.104 2.449 3.728 . 0 0 "[ . 1 . 2]" 1
732 1 103 GLU H 1 103 GLU QB 2.510 . 3.220 2.377 1.971 2.639 . 0 0 "[ . 1 . 2]" 1
733 1 103 GLU H 1 103 GLU HG2 2.890 . 3.980 2.982 2.058 4.349 0.369 7 0 "[ . 1 . 2]" 1
734 1 103 GLU H 1 103 GLU QG 2.790 . 3.790 2.493 2.028 3.836 0.046 13 0 "[ . 1 . 2]" 1
735 1 103 GLU H 1 103 GLU HG3 2.890 . 3.980 3.252 2.175 4.336 0.356 13 0 "[ . 1 . 2]" 1
736 1 103 GLU H 1 104 LEU H 2.660 . 3.530 2.637 2.529 2.746 . 0 0 "[ . 1 . 2]" 1
737 1 103 GLU QB 1 104 LEU H 2.760 . 3.730 2.627 2.451 3.566 . 0 0 "[ . 1 . 2]" 1
738 1 103 GLU QB 1 104 LEU MD2 3.650 . 5.510 3.704 3.247 4.390 . 0 0 "[ . 1 . 2]" 1
739 1 104 LEU H 1 104 LEU HB2 2.820 . 3.850 2.527 2.395 3.647 . 0 0 "[ . 1 . 2]" 1
740 1 104 LEU H 1 104 LEU QB 2.710 . 3.630 2.442 2.361 2.715 . 0 0 "[ . 1 . 2]" 1
741 1 104 LEU H 1 104 LEU HB3 2.820 . 3.850 3.557 2.800 3.607 . 0 0 "[ . 1 . 2]" 1
742 1 104 LEU H 1 104 LEU MD1 3.450 . 5.100 3.650 3.467 3.737 . 0 0 "[ . 1 . 2]" 1
743 1 104 LEU H 1 104 LEU MD2 3.380 . 4.960 3.350 3.175 3.617 . 0 0 "[ . 1 . 2]" 1
744 1 104 LEU H 1 104 LEU HG 2.600 . 3.400 2.347 2.023 2.511 . 0 0 "[ . 1 . 2]" 1
745 1 104 LEU HA 1 104 LEU MD1 3.110 . 4.420 3.852 3.707 3.878 . 0 0 "[ . 1 . 2]" 1
746 1 104 LEU HA 1 104 LEU MD2 2.620 . 3.450 2.136 1.997 3.938 0.488 19 0 "[ . 1 . 2]" 1
747 1 104 LEU HB2 1 105 ALA H 3.330 . 4.870 2.791 2.596 3.852 . 0 0 "[ . 1 . 2]" 1
748 1 104 LEU HB3 1 105 ALA H 3.330 . 4.870 3.741 3.556 4.183 . 0 0 "[ . 1 . 2]" 1
749 1 105 ALA H 1 105 ALA MB 2.710 . 3.620 2.246 2.227 2.266 . 0 0 "[ . 1 . 2]" 1
750 1 106 GLU H 1 106 GLU HG2 3.220 . 4.640 3.555 2.231 4.623 . 0 0 "[ . 1 . 2]" 1
751 1 106 GLU H 1 106 GLU HG3 3.220 . 4.640 3.514 2.387 4.635 . 0 0 "[ . 1 . 2]" 1
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