NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405648 |
1x69   |
10240 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x69
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 1405
_Distance_constraint_stats_list.Viol_count 601
_Distance_constraint_stats_list.Viol_total 141.813
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_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 THR 0.012 0.012 15 0 "[ . 1 . 2]"
1 9 TYR 0.012 0.012 15 0 "[ . 1 . 2]"
1 10 ASP 0.048 0.023 8 0 "[ . 1 . 2]"
1 11 GLU 0.048 0.023 8 0 "[ . 1 . 2]"
1 12 TYR 0.309 0.119 14 0 "[ . 1 . 2]"
1 13 GLU 0.102 0.038 14 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.006 0.006 13 0 "[ . 1 . 2]"
1 16 LEU 0.369 0.107 15 0 "[ . 1 . 2]"
1 17 GLY 0.045 0.022 11 0 "[ . 1 . 2]"
1 18 ILE 0.015 0.005 13 0 "[ . 1 . 2]"
1 19 THR 0.019 0.007 17 0 "[ . 1 . 2]"
1 20 ALA 0.006 0.003 13 0 "[ . 1 . 2]"
1 21 VAL 0.130 0.018 13 0 "[ . 1 . 2]"
1 22 ALA 0.048 0.012 20 0 "[ . 1 . 2]"
1 23 LEU 0.016 0.007 20 0 "[ . 1 . 2]"
1 24 TYR 0.025 0.013 5 0 "[ . 1 . 2]"
1 25 ASP 0.038 0.010 9 0 "[ . 1 . 2]"
1 26 TYR 0.345 0.056 19 0 "[ . 1 . 2]"
1 27 GLN 1.031 0.084 10 0 "[ . 1 . 2]"
1 28 ALA 0.067 0.029 20 0 "[ . 1 . 2]"
1 29 ALA 0.001 0.001 9 0 "[ . 1 . 2]"
1 30 GLY 0.011 0.003 18 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.018 0.006 18 0 "[ . 1 . 2]"
1 33 GLU 0.074 0.012 13 0 "[ . 1 . 2]"
1 34 ILE 0.065 0.013 13 0 "[ . 1 . 2]"
1 35 SER 0.019 0.011 13 0 "[ . 1 . 2]"
1 36 PHE 0.211 0.021 6 0 "[ . 1 . 2]"
1 37 ASP 0.005 0.003 9 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.019 0.008 13 0 "[ . 1 . 2]"
1 40 ASP 0.093 0.021 6 0 "[ . 1 . 2]"
1 41 ILE 0.020 0.007 17 0 "[ . 1 . 2]"
1 42 ILE 0.057 0.013 13 0 "[ . 1 . 2]"
1 43 THR 0.073 0.025 13 0 "[ . 1 . 2]"
1 44 ASN 0.036 0.019 13 0 "[ . 1 . 2]"
1 45 ILE 0.273 0.044 13 0 "[ . 1 . 2]"
1 46 GLU 0.494 0.092 19 0 "[ . 1 . 2]"
1 47 MET 0.439 0.044 13 0 "[ . 1 . 2]"
1 48 ILE 2.497 0.134 18 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 1.109 0.090 13 0 "[ . 1 . 2]"
1 51 GLY 0.180 0.058 20 0 "[ . 1 . 2]"
1 52 TRP 0.346 0.026 7 0 "[ . 1 . 2]"
1 53 TRP 0.128 0.010 8 0 "[ . 1 . 2]"
1 54 ARG 0.171 0.036 20 0 "[ . 1 . 2]"
1 55 GLY 0.314 0.040 20 0 "[ . 1 . 2]"
1 56 VAL 0.200 0.021 20 0 "[ . 1 . 2]"
1 57 CYS 0.075 0.014 17 0 "[ . 1 . 2]"
1 58 LYS 0.250 0.040 20 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.406 0.058 17 0 "[ . 1 . 2]"
1 61 TYR 0.506 0.058 17 0 "[ . 1 . 2]"
1 62 GLY 0.115 0.016 20 0 "[ . 1 . 2]"
1 63 LEU 0.177 0.036 20 0 "[ . 1 . 2]"
1 64 PHE 0.012 0.005 18 0 "[ . 1 . 2]"
1 65 PRO 0.127 0.019 13 0 "[ . 1 . 2]"
1 66 ALA 0.053 0.008 20 0 "[ . 1 . 2]"
1 67 ASN 0.031 0.008 20 0 "[ . 1 . 2]"
1 68 TYR 0.116 0.023 5 0 "[ . 1 . 2]"
1 69 VAL 0.013 0.005 12 0 "[ . 1 . 2]"
1 70 GLU 0.015 0.007 20 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 6 0 "[ . 1 . 2]"
1 72 ARG 0.018 0.011 20 0 "[ . 1 . 2]"
1 73 GLN 0.001 0.001 17 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 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 THR H 1 8 THR MG . . 4.760 2.893 2.170 3.954 . 0 0 "[ . 1 . 2]" 1
2 1 8 THR HA 1 8 THR MG . . 3.740 2.568 2.162 3.207 . 0 0 "[ . 1 . 2]" 1
3 1 8 THR HA 1 9 TYR H . . 3.360 2.328 2.142 3.357 . 0 0 "[ . 1 . 2]" 1
4 1 8 THR HB 1 9 TYR H . . 4.330 3.668 2.438 4.342 0.012 15 0 "[ . 1 . 2]" 1
5 1 8 THR MG 1 9 TYR H . . 4.720 3.634 2.245 4.278 . 0 0 "[ . 1 . 2]" 1
6 1 9 TYR H 1 9 TYR HB2 . . 4.170 3.268 2.346 4.059 . 0 0 "[ . 1 . 2]" 1
7 1 9 TYR H 1 9 TYR QB . . 3.510 2.549 2.178 3.321 . 0 0 "[ . 1 . 2]" 1
8 1 9 TYR H 1 9 TYR HB3 . . 4.170 2.747 2.213 3.524 . 0 0 "[ . 1 . 2]" 1
9 1 9 TYR H 1 9 TYR QD . . 4.790 3.391 2.096 4.545 . 0 0 "[ . 1 . 2]" 1
10 1 9 TYR HA 1 9 TYR QD . . 3.850 3.319 2.488 3.736 . 0 0 "[ . 1 . 2]" 1
11 1 9 TYR QD 1 10 ASP H . . 5.070 3.252 2.268 4.436 . 0 0 "[ . 1 . 2]" 1
12 1 9 TYR QD 1 11 GLU H . . 5.090 3.579 2.241 5.002 . 0 0 "[ . 1 . 2]" 1
13 1 9 TYR QE 1 11 GLU H . . 4.820 4.211 2.919 4.795 . 0 0 "[ . 1 . 2]" 1
14 1 9 TYR QE 1 11 GLU HA . . 4.710 3.803 2.473 4.705 . 0 0 "[ . 1 . 2]" 1
15 1 10 ASP H 1 10 ASP QB . . 3.700 2.689 2.212 3.184 . 0 0 "[ . 1 . 2]" 1
16 1 10 ASP HA 1 11 GLU H . . 3.200 2.405 2.139 2.871 . 0 0 "[ . 1 . 2]" 1
17 1 10 ASP QB 1 11 GLU H . . 3.830 3.536 2.757 3.853 0.023 8 0 "[ . 1 . 2]" 1
18 1 11 GLU H 1 11 GLU QB . . 3.260 2.579 2.166 3.231 . 0 0 "[ . 1 . 2]" 1
19 1 11 GLU H 1 11 GLU HG2 . . 5.120 3.749 1.894 4.960 . 0 0 "[ . 1 . 2]" 1
20 1 11 GLU H 1 11 GLU QG . . 4.410 3.203 1.870 4.255 . 0 0 "[ . 1 . 2]" 1
21 1 11 GLU H 1 11 GLU HG3 . . 5.120 3.710 2.266 5.015 . 0 0 "[ . 1 . 2]" 1
22 1 11 GLU HA 1 12 TYR H . . 3.120 2.354 2.139 2.829 . 0 0 "[ . 1 . 2]" 1
23 1 11 GLU QB 1 12 TYR H . . 4.080 3.653 2.786 4.047 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLU HB2 1 12 TYR H . . 4.930 4.187 2.845 4.634 . 0 0 "[ . 1 . 2]" 1
25 1 11 GLU HB3 1 12 TYR H . . 4.930 4.155 3.101 4.638 . 0 0 "[ . 1 . 2]" 1
26 1 11 GLU HG2 1 12 TYR H . . 5.500 4.630 2.874 5.448 . 0 0 "[ . 1 . 2]" 1
27 1 11 GLU HG3 1 12 TYR H . . 5.500 4.529 2.586 5.496 . 0 0 "[ . 1 . 2]" 1
28 1 12 TYR H 1 12 TYR HB2 . . 3.570 2.894 2.320 3.574 0.004 15 0 "[ . 1 . 2]" 1
29 1 12 TYR H 1 12 TYR QB . . 3.020 2.430 2.210 3.043 0.023 3 0 "[ . 1 . 2]" 1
30 1 12 TYR H 1 12 TYR HB3 . . 3.570 2.784 2.301 3.551 . 0 0 "[ . 1 . 2]" 1
31 1 12 TYR H 1 12 TYR QD . . 4.220 3.579 1.984 4.226 0.006 13 0 "[ . 1 . 2]" 1
32 1 12 TYR HA 1 12 TYR QD . . 3.420 2.831 1.996 3.539 0.119 14 0 "[ . 1 . 2]" 1
33 1 12 TYR QB 1 13 GLU H . . 3.710 2.896 1.965 3.729 0.019 14 0 "[ . 1 . 2]" 1
34 1 12 TYR HB2 1 13 GLU H . . 4.240 3.544 1.976 4.278 0.038 14 0 "[ . 1 . 2]" 1
35 1 12 TYR HB3 1 13 GLU H . . 4.240 3.415 2.185 4.222 . 0 0 "[ . 1 . 2]" 1
36 1 12 TYR QD 1 13 GLU H . . 4.660 2.960 1.889 3.554 . 0 0 "[ . 1 . 2]" 1
37 1 12 TYR QE 1 13 GLU H . . 5.260 4.388 3.539 5.267 0.007 20 0 "[ . 1 . 2]" 1
38 1 13 GLU H 1 13 GLU HB2 . . 3.940 3.113 2.236 3.957 0.017 13 0 "[ . 1 . 2]" 1
39 1 13 GLU H 1 13 GLU QB . . 3.210 2.726 2.211 3.216 0.006 13 0 "[ . 1 . 2]" 1
40 1 13 GLU H 1 13 GLU HB3 . . 3.940 3.258 2.431 3.914 . 0 0 "[ . 1 . 2]" 1
41 1 13 GLU H 1 13 GLU QG . . 4.280 3.386 1.896 4.264 . 0 0 "[ . 1 . 2]" 1
42 1 13 GLU H 1 14 ASN H . . 4.660 3.906 2.602 4.626 . 0 0 "[ . 1 . 2]" 1
43 1 13 GLU HA 1 13 GLU QG . . 3.810 2.769 2.128 3.467 . 0 0 "[ . 1 . 2]" 1
44 1 13 GLU HA 1 14 ASN H . . 3.170 2.382 2.142 2.761 . 0 0 "[ . 1 . 2]" 1
45 1 13 GLU QB 1 14 ASN H . . 4.080 3.393 2.045 4.029 . 0 0 "[ . 1 . 2]" 1
46 1 13 GLU HB2 1 14 ASN H . . 4.670 3.989 2.057 4.651 . 0 0 "[ . 1 . 2]" 1
47 1 13 GLU HB3 1 14 ASN H . . 4.670 3.887 2.198 4.651 . 0 0 "[ . 1 . 2]" 1
48 1 13 GLU QG 1 14 ASN H . . 4.810 3.852 2.251 4.688 . 0 0 "[ . 1 . 2]" 1
49 1 14 ASN H 1 14 ASN QB . . 3.410 2.572 2.204 3.043 . 0 0 "[ . 1 . 2]" 1
50 1 14 ASN H 1 14 ASN QD . . 5.340 4.095 2.351 4.727 . 0 0 "[ . 1 . 2]" 1
51 1 14 ASN QB 1 15 ASP H . . 4.060 3.039 2.161 4.049 . 0 0 "[ . 1 . 2]" 1
52 1 14 ASN QD 1 15 ASP H . . 5.340 4.209 2.464 5.220 . 0 0 "[ . 1 . 2]" 1
53 1 15 ASP H 1 15 ASP QB . . 3.670 2.834 2.415 3.389 . 0 0 "[ . 1 . 2]" 1
54 1 15 ASP H 1 44 ASN HD22 . . 5.500 4.688 3.884 5.188 . 0 0 "[ . 1 . 2]" 1
55 1 15 ASP HA 1 16 LEU H . . 2.810 2.208 2.139 2.346 . 0 0 "[ . 1 . 2]" 1
56 1 15 ASP HA 1 17 GLY H . . 4.010 3.743 3.470 4.007 . 0 0 "[ . 1 . 2]" 1
57 1 15 ASP QB 1 16 LEU H . . 3.830 3.455 2.655 3.831 0.001 14 0 "[ . 1 . 2]" 1
58 1 15 ASP QB 1 16 LEU QD . . 5.010 4.604 3.769 5.008 . 0 0 "[ . 1 . 2]" 1
59 1 15 ASP QB 1 17 GLY H . . 4.640 3.551 2.283 4.591 . 0 0 "[ . 1 . 2]" 1
60 1 15 ASP HB2 1 16 LEU H . . 4.440 3.913 2.722 4.446 0.006 13 0 "[ . 1 . 2]" 1
61 1 15 ASP HB3 1 16 LEU H . . 4.440 4.026 3.516 4.440 . 0 0 "[ . 1 . 2]" 1
62 1 16 LEU H 1 16 LEU HB2 . . 2.950 2.572 2.360 2.928 . 0 0 "[ . 1 . 2]" 1
63 1 16 LEU H 1 16 LEU HB3 . . 3.840 3.642 3.510 3.818 . 0 0 "[ . 1 . 2]" 1
64 1 16 LEU H 1 16 LEU MD1 . . 4.130 3.033 1.767 3.970 . 0 0 "[ . 1 . 2]" 1
65 1 16 LEU H 1 16 LEU QD . . 3.590 2.662 1.645 3.336 . 0 0 "[ . 1 . 2]" 1
66 1 16 LEU H 1 16 LEU MD2 . . 4.130 3.453 1.815 4.082 . 0 0 "[ . 1 . 2]" 1
67 1 16 LEU H 1 16 LEU HG . . 3.370 2.880 2.177 3.477 0.107 15 0 "[ . 1 . 2]" 1
68 1 16 LEU H 1 17 GLY H . . 3.060 2.467 2.011 2.775 . 0 0 "[ . 1 . 2]" 1
69 1 16 LEU H 1 17 GLY QA . . 4.460 4.252 3.779 4.482 0.022 11 0 "[ . 1 . 2]" 1
70 1 16 LEU H 1 44 ASN HD22 . . 5.250 4.529 3.888 5.141 . 0 0 "[ . 1 . 2]" 1
71 1 16 LEU HA 1 16 LEU QD . . 2.960 2.388 1.998 3.007 0.047 5 0 "[ . 1 . 2]" 1
72 1 16 LEU HA 1 16 LEU HG . . 4.190 3.053 2.403 3.799 . 0 0 "[ . 1 . 2]" 1
73 1 16 LEU HA 1 19 THR MG . . 5.210 4.649 4.397 4.868 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU HA 1 43 THR HB . . 4.260 3.022 2.762 3.410 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU HA 1 43 THR MG . . 4.700 4.163 3.972 4.564 . 0 0 "[ . 1 . 2]" 1
76 1 16 LEU HA 1 44 ASN HD22 . . 3.280 2.240 1.904 2.763 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU HB2 1 17 GLY H . . 3.920 3.055 2.413 3.896 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU HB2 1 19 THR MG . . 3.700 3.339 2.951 3.624 . 0 0 "[ . 1 . 2]" 1
79 1 16 LEU HB2 1 43 THR HB . . 4.310 3.951 3.648 4.191 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU HB2 1 43 THR MG . . 4.360 3.868 3.298 4.294 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU HB3 1 16 LEU MD1 . . 3.460 2.641 2.187 3.180 . 0 0 "[ . 1 . 2]" 1
82 1 16 LEU HB3 1 16 LEU MD2 . . 3.460 2.376 2.020 3.130 . 0 0 "[ . 1 . 2]" 1
83 1 16 LEU HB3 1 17 GLY H . . 4.570 3.983 3.519 4.465 . 0 0 "[ . 1 . 2]" 1
84 1 16 LEU HB3 1 19 THR MG . . 3.420 2.959 2.684 3.328 . 0 0 "[ . 1 . 2]" 1
85 1 16 LEU HB3 1 43 THR HB . . 3.860 2.243 2.009 2.464 . 0 0 "[ . 1 . 2]" 1
86 1 16 LEU HB3 1 43 THR MG . . 3.760 2.579 2.142 2.902 . 0 0 "[ . 1 . 2]" 1
87 1 16 LEU HB3 1 44 ASN H . . 4.150 3.377 3.011 3.706 . 0 0 "[ . 1 . 2]" 1
88 1 16 LEU HB3 1 44 ASN HD22 . . 5.080 4.444 4.131 4.907 . 0 0 "[ . 1 . 2]" 1
89 1 16 LEU QD 1 17 GLY H . . 4.900 3.892 2.566 4.516 . 0 0 "[ . 1 . 2]" 1
90 1 16 LEU QD 1 43 THR HB . . 3.710 2.737 2.124 3.476 . 0 0 "[ . 1 . 2]" 1
91 1 16 LEU QD 1 44 ASN H . . 5.020 4.239 3.789 4.842 . 0 0 "[ . 1 . 2]" 1
92 1 16 LEU QD 1 44 ASN HD22 . . 4.490 3.596 3.025 4.356 . 0 0 "[ . 1 . 2]" 1
93 1 16 LEU MD1 1 43 THR HB . . 4.850 3.963 2.371 4.815 . 0 0 "[ . 1 . 2]" 1
94 1 16 LEU MD2 1 43 THR HB . . 4.850 3.009 2.136 4.843 . 0 0 "[ . 1 . 2]" 1
95 1 16 LEU HG 1 43 THR MG . . 5.090 4.047 3.244 4.772 . 0 0 "[ . 1 . 2]" 1
96 1 17 GLY H 1 17 GLY QA . . 2.680 2.214 2.190 2.248 . 0 0 "[ . 1 . 2]" 1
97 1 17 GLY H 1 18 ILE H . . 4.720 4.575 4.509 4.641 . 0 0 "[ . 1 . 2]" 1
98 1 17 GLY H 1 19 THR MG . . 5.220 4.794 4.493 5.184 . 0 0 "[ . 1 . 2]" 1
99 1 17 GLY H 1 44 ASN HD21 . . 5.090 4.347 3.832 4.716 . 0 0 "[ . 1 . 2]" 1
100 1 17 GLY H 1 44 ASN HD22 . . 4.900 4.659 4.203 4.900 . 13 0 "[ . 1 . 2]" 1
101 1 17 GLY QA 1 18 ILE H . . 2.660 2.141 2.109 2.229 . 0 0 "[ . 1 . 2]" 1
102 1 17 GLY QA 1 18 ILE HB . . 4.560 4.396 4.339 4.481 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLY QA 1 18 ILE QG . . 4.880 3.657 3.415 4.221 . 0 0 "[ . 1 . 2]" 1
104 1 17 GLY QA 1 44 ASN H . . 4.070 3.837 3.576 4.055 . 0 0 "[ . 1 . 2]" 1
105 1 17 GLY QA 1 44 ASN HA . . 3.690 3.217 2.850 3.618 . 0 0 "[ . 1 . 2]" 1
106 1 17 GLY QA 1 44 ASN HD21 . . 4.320 3.731 3.358 4.079 . 0 0 "[ . 1 . 2]" 1
107 1 17 GLY QA 1 44 ASN HD22 . . 5.170 4.765 4.324 5.090 . 0 0 "[ . 1 . 2]" 1
108 1 17 GLY QA 1 45 ILE H . . 4.460 4.183 3.823 4.455 . 0 0 "[ . 1 . 2]" 1
109 1 18 ILE H 1 18 ILE HB . . 2.960 2.493 2.448 2.582 . 0 0 "[ . 1 . 2]" 1
110 1 18 ILE H 1 18 ILE MD . . 3.570 3.030 1.845 3.570 0.000 16 0 "[ . 1 . 2]" 1
111 1 18 ILE H 1 18 ILE HG12 . . 3.850 3.779 3.583 3.853 0.003 14 0 "[ . 1 . 2]" 1
112 1 18 ILE H 1 18 ILE QG . . 3.310 2.482 2.202 2.958 . 0 0 "[ . 1 . 2]" 1
113 1 18 ILE H 1 18 ILE HG13 . . 3.850 2.526 2.220 3.076 . 0 0 "[ . 1 . 2]" 1
114 1 18 ILE H 1 18 ILE MG . . 4.330 3.770 3.753 3.787 . 0 0 "[ . 1 . 2]" 1
115 1 18 ILE H 1 19 THR H . . 5.500 4.576 4.529 4.615 . 0 0 "[ . 1 . 2]" 1
116 1 18 ILE H 1 44 ASN HA . . 4.190 3.838 3.408 4.192 0.002 14 0 "[ . 1 . 2]" 1
117 1 18 ILE H 1 45 ILE H . . 3.710 3.302 2.894 3.596 . 0 0 "[ . 1 . 2]" 1
118 1 18 ILE H 1 45 ILE HB . . 4.110 3.887 3.628 4.111 0.001 3 0 "[ . 1 . 2]" 1
119 1 18 ILE HA 1 18 ILE MD . . 4.350 3.736 3.274 3.890 . 0 0 "[ . 1 . 2]" 1
120 1 18 ILE HA 1 18 ILE HG12 . . 3.870 2.906 2.582 3.561 . 0 0 "[ . 1 . 2]" 1
121 1 18 ILE HA 1 18 ILE QG . . 3.310 2.406 2.248 2.467 . 0 0 "[ . 1 . 2]" 1
122 1 18 ILE HA 1 18 ILE HG13 . . 3.870 2.678 2.277 2.894 . 0 0 "[ . 1 . 2]" 1
123 1 18 ILE HA 1 18 ILE MG . . 3.250 2.377 2.294 2.480 . 0 0 "[ . 1 . 2]" 1
124 1 18 ILE HA 1 19 THR H . . 2.650 2.199 2.152 2.243 . 0 0 "[ . 1 . 2]" 1
125 1 18 ILE HA 1 19 THR MG . . 4.470 3.725 3.568 3.918 . 0 0 "[ . 1 . 2]" 1
126 1 18 ILE HA 1 45 ILE MD . . 5.420 4.549 4.082 4.846 . 0 0 "[ . 1 . 2]" 1
127 1 18 ILE HB 1 18 ILE MD . . 3.440 2.235 2.099 2.388 . 0 0 "[ . 1 . 2]" 1
128 1 18 ILE HB 1 19 THR H . . 4.350 4.031 3.838 4.191 . 0 0 "[ . 1 . 2]" 1
129 1 18 ILE HB 1 45 ILE H . . 3.930 3.237 2.944 3.484 . 0 0 "[ . 1 . 2]" 1
130 1 18 ILE HB 1 45 ILE HB . . 3.240 2.066 1.997 2.233 . 0 0 "[ . 1 . 2]" 1
131 1 18 ILE HB 1 45 ILE MG . . 3.790 3.107 2.856 3.450 . 0 0 "[ . 1 . 2]" 1
132 1 18 ILE HB 1 46 GLU H . . 5.500 5.354 5.152 5.505 0.005 13 0 "[ . 1 . 2]" 1
133 1 18 ILE MD 1 45 ILE H . . 5.180 4.543 3.640 5.054 . 0 0 "[ . 1 . 2]" 1
134 1 18 ILE MD 1 46 GLU H . . 5.500 5.220 4.741 5.437 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE MD 1 47 MET H . . 5.120 3.785 2.962 4.432 . 0 0 "[ . 1 . 2]" 1
136 1 18 ILE MD 1 47 MET QG . . 4.340 2.888 2.070 4.000 . 0 0 "[ . 1 . 2]" 1
137 1 18 ILE QG 1 19 THR H . . 4.660 4.013 3.895 4.100 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE MG 1 19 THR H . . 3.210 2.265 2.012 2.609 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE MG 1 19 THR HA . . 4.850 3.531 3.335 3.656 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE MG 1 45 ILE H . . 4.330 4.113 3.886 4.317 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE MG 1 45 ILE HB . . 3.330 2.470 2.271 2.792 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE MG 1 47 MET ME . . 3.040 2.730 1.957 3.041 0.001 5 0 "[ . 1 . 2]" 1
143 1 18 ILE MG 1 47 MET QG . . 5.310 3.859 3.466 4.208 . 0 0 "[ . 1 . 2]" 1
144 1 19 THR H 1 19 THR HB . . 3.960 3.795 3.738 3.834 . 0 0 "[ . 1 . 2]" 1
145 1 19 THR H 1 19 THR HG1 . . 4.350 2.790 1.951 3.719 . 0 0 "[ . 1 . 2]" 1
146 1 19 THR H 1 19 THR MG . . 3.320 2.972 2.796 3.193 . 0 0 "[ . 1 . 2]" 1
147 1 19 THR H 1 72 ARG H . . 4.910 4.376 3.947 4.730 . 0 0 "[ . 1 . 2]" 1
148 1 19 THR H 1 72 ARG QB . . 4.860 4.146 3.784 4.687 . 0 0 "[ . 1 . 2]" 1
149 1 19 THR HA 1 19 THR MG . . 3.180 2.279 2.172 2.397 . 0 0 "[ . 1 . 2]" 1
150 1 19 THR HA 1 20 ALA H . . 2.800 2.292 2.198 2.364 . 0 0 "[ . 1 . 2]" 1
151 1 19 THR HA 1 20 ALA MB . . 4.680 3.819 3.734 3.918 . 0 0 "[ . 1 . 2]" 1
152 1 19 THR HA 1 41 ILE MG . . 5.280 4.699 3.678 5.008 . 0 0 "[ . 1 . 2]" 1
153 1 19 THR HA 1 42 ILE H . . 4.800 4.463 3.946 4.777 . 0 0 "[ . 1 . 2]" 1
154 1 19 THR HA 1 42 ILE MG . . 5.220 3.908 3.591 4.240 . 0 0 "[ . 1 . 2]" 1
155 1 19 THR HA 1 43 THR HA . . 3.320 2.846 2.565 3.148 . 0 0 "[ . 1 . 2]" 1
156 1 19 THR HA 1 44 ASN H . . 4.730 4.408 4.111 4.670 . 0 0 "[ . 1 . 2]" 1
157 1 19 THR HA 1 45 ILE H . . 4.570 4.077 3.931 4.286 . 0 0 "[ . 1 . 2]" 1
158 1 19 THR HA 1 45 ILE MD . . 3.520 2.262 1.936 2.750 . 0 0 "[ . 1 . 2]" 1
159 1 19 THR HA 1 45 ILE HG13 . . 4.430 3.115 2.845 3.538 . 0 0 "[ . 1 . 2]" 1
160 1 19 THR HA 1 45 ILE MG . . 5.500 4.884 4.563 5.195 . 0 0 "[ . 1 . 2]" 1
161 1 19 THR HB 1 20 ALA H . . 3.000 2.684 2.477 3.002 0.002 17 0 "[ . 1 . 2]" 1
162 1 19 THR HB 1 41 ILE MD . . 5.500 4.686 4.213 5.507 0.007 17 0 "[ . 1 . 2]" 1
163 1 19 THR HB 1 41 ILE MG . . 3.690 3.236 2.158 3.587 . 0 0 "[ . 1 . 2]" 1
164 1 19 THR HB 1 42 ILE H . . 4.820 3.929 3.506 4.126 . 0 0 "[ . 1 . 2]" 1
165 1 19 THR HB 1 43 THR HA . . 4.240 3.965 3.692 4.238 . 0 0 "[ . 1 . 2]" 1
166 1 19 THR HB 1 43 THR MG . . 4.020 3.605 3.285 4.023 0.003 18 0 "[ . 1 . 2]" 1
167 1 19 THR HB 1 45 ILE MD . . 4.460 4.068 3.787 4.434 . 0 0 "[ . 1 . 2]" 1
168 1 19 THR HB 1 72 ARG QB . . 4.870 3.783 3.020 4.368 . 0 0 "[ . 1 . 2]" 1
169 1 19 THR HB 1 72 ARG QD . . 4.850 3.979 2.534 4.829 . 0 0 "[ . 1 . 2]" 1
170 1 19 THR MG 1 20 ALA H . . 4.010 3.742 3.583 3.914 . 0 0 "[ . 1 . 2]" 1
171 1 19 THR MG 1 41 ILE MG . . 4.220 3.491 2.753 3.909 . 0 0 "[ . 1 . 2]" 1
172 1 19 THR MG 1 43 THR HA . . 3.150 2.159 1.965 2.628 . 0 0 "[ . 1 . 2]" 1
173 1 19 THR MG 1 43 THR HB . . 3.710 3.202 2.886 3.563 . 0 0 "[ . 1 . 2]" 1
174 1 19 THR MG 1 44 ASN H . . 3.480 3.303 3.149 3.473 . 0 0 "[ . 1 . 2]" 1
175 1 19 THR MG 1 44 ASN HA . . 5.500 5.094 4.963 5.279 . 0 0 "[ . 1 . 2]" 1
176 1 19 THR MG 1 45 ILE MD . . 4.600 3.892 3.611 4.301 . 0 0 "[ . 1 . 2]" 1
177 1 19 THR MG 1 72 ARG QD . . 5.500 4.915 3.743 5.507 0.007 20 0 "[ . 1 . 2]" 1
178 1 20 ALA H 1 20 ALA MB . . 2.980 2.679 2.571 2.751 . 0 0 "[ . 1 . 2]" 1
179 1 20 ALA H 1 41 ILE HA . . 5.070 4.568 4.083 4.899 . 0 0 "[ . 1 . 2]" 1
180 1 20 ALA H 1 41 ILE MG . . 4.350 3.917 3.135 4.280 . 0 0 "[ . 1 . 2]" 1
181 1 20 ALA H 1 42 ILE H . . 3.460 2.875 2.437 3.080 . 0 0 "[ . 1 . 2]" 1
182 1 20 ALA H 1 42 ILE HB . . 4.290 2.937 2.754 3.145 . 0 0 "[ . 1 . 2]" 1
183 1 20 ALA H 1 42 ILE MD . . 4.810 3.880 3.370 4.186 . 0 0 "[ . 1 . 2]" 1
184 1 20 ALA H 1 42 ILE MG . . 4.480 3.815 3.469 4.257 . 0 0 "[ . 1 . 2]" 1
185 1 20 ALA H 1 43 THR HA . . 4.760 4.326 3.925 4.658 . 0 0 "[ . 1 . 2]" 1
186 1 20 ALA H 1 45 ILE MD . . 3.190 2.304 1.865 2.575 . 0 0 "[ . 1 . 2]" 1
187 1 20 ALA H 1 45 ILE HG13 . . 4.260 4.060 3.702 4.262 0.002 9 0 "[ . 1 . 2]" 1
188 1 20 ALA H 1 72 ARG H . . 4.920 4.553 4.225 4.844 . 0 0 "[ . 1 . 2]" 1
189 1 20 ALA H 1 72 ARG QG . . 4.730 4.134 3.399 4.728 . 0 0 "[ . 1 . 2]" 1
190 1 20 ALA HA 1 21 VAL H . . 2.770 2.394 2.276 2.489 . 0 0 "[ . 1 . 2]" 1
191 1 20 ALA HA 1 21 VAL MG1 . . 5.210 3.964 3.813 4.119 . 0 0 "[ . 1 . 2]" 1
192 1 20 ALA HA 1 45 ILE MD . . 4.840 3.630 3.393 3.919 . 0 0 "[ . 1 . 2]" 1
193 1 20 ALA HA 1 71 LEU HA . . 3.420 2.648 2.098 2.997 . 0 0 "[ . 1 . 2]" 1
194 1 20 ALA HA 1 71 LEU MD2 . . 4.420 3.799 3.432 4.229 . 0 0 "[ . 1 . 2]" 1
195 1 20 ALA HA 1 72 ARG H . . 2.990 2.269 1.926 2.607 . 0 0 "[ . 1 . 2]" 1
196 1 20 ALA HA 1 72 ARG QB . . 4.250 3.280 2.112 4.002 . 0 0 "[ . 1 . 2]" 1
197 1 20 ALA HA 1 72 ARG QG . . 3.850 2.347 2.029 2.795 . 0 0 "[ . 1 . 2]" 1
198 1 20 ALA MB 1 21 VAL H . . 3.030 2.496 2.329 2.698 . 0 0 "[ . 1 . 2]" 1
199 1 20 ALA MB 1 42 ILE MD . . 4.250 3.257 2.912 3.629 . 0 0 "[ . 1 . 2]" 1
200 1 20 ALA MB 1 53 TRP HZ3 . . 4.150 3.491 3.173 3.775 . 0 0 "[ . 1 . 2]" 1
201 1 20 ALA MB 1 64 PHE HZ . . 4.950 4.181 3.885 4.465 . 0 0 "[ . 1 . 2]" 1
202 1 20 ALA MB 1 69 VAL HA . . 4.760 4.468 4.354 4.640 . 0 0 "[ . 1 . 2]" 1
203 1 20 ALA MB 1 69 VAL HB . . 3.070 2.659 2.517 2.892 . 0 0 "[ . 1 . 2]" 1
204 1 20 ALA MB 1 69 VAL MG1 . . 3.820 3.620 3.327 3.823 0.003 13 0 "[ . 1 . 2]" 1
205 1 20 ALA MB 1 69 VAL MG2 . . 3.080 2.649 2.212 2.866 . 0 0 "[ . 1 . 2]" 1
206 1 20 ALA MB 1 70 GLU H . . 3.540 3.063 2.892 3.332 . 0 0 "[ . 1 . 2]" 1
207 1 20 ALA MB 1 71 LEU H . . 4.320 3.677 3.395 4.093 . 0 0 "[ . 1 . 2]" 1
208 1 20 ALA MB 1 71 LEU HA . . 3.410 2.248 1.986 2.497 . 0 0 "[ . 1 . 2]" 1
209 1 20 ALA MB 1 71 LEU HB3 . . 4.960 4.264 3.951 4.674 . 0 0 "[ . 1 . 2]" 1
210 1 20 ALA MB 1 71 LEU MD2 . . 3.230 2.424 1.901 2.974 . 0 0 "[ . 1 . 2]" 1
211 1 20 ALA MB 1 71 LEU HG . . 4.570 3.604 3.101 4.119 . 0 0 "[ . 1 . 2]" 1
212 1 20 ALA MB 1 72 ARG H . . 3.690 3.288 2.923 3.678 . 0 0 "[ . 1 . 2]" 1
213 1 20 ALA MB 1 72 ARG QD . . 5.500 4.926 4.162 5.461 . 0 0 "[ . 1 . 2]" 1
214 1 20 ALA MB 1 72 ARG QG . . 5.150 3.821 3.537 4.176 . 0 0 "[ . 1 . 2]" 1
215 1 21 VAL H 1 21 VAL HB . . 3.090 2.995 2.908 3.087 . 0 0 "[ . 1 . 2]" 1
216 1 21 VAL H 1 21 VAL MG1 . . 3.060 2.106 1.976 2.204 . 0 0 "[ . 1 . 2]" 1
217 1 21 VAL H 1 21 VAL MG2 . . 3.910 3.901 3.853 3.928 0.018 13 0 "[ . 1 . 2]" 1
218 1 21 VAL H 1 22 ALA HA . . 5.100 4.968 4.882 5.108 0.008 17 0 "[ . 1 . 2]" 1
219 1 21 VAL H 1 23 LEU MD2 . . 5.240 4.933 4.791 5.126 . 0 0 "[ . 1 . 2]" 1
220 1 21 VAL H 1 69 VAL MG1 . . 5.140 4.995 4.774 5.144 0.004 13 0 "[ . 1 . 2]" 1
221 1 21 VAL H 1 70 GLU H . . 3.240 2.670 2.483 2.854 . 0 0 "[ . 1 . 2]" 1
222 1 21 VAL H 1 70 GLU HB2 . . 5.060 4.844 4.604 5.051 . 0 0 "[ . 1 . 2]" 1
223 1 21 VAL H 1 70 GLU HB3 . . 4.160 3.510 3.249 3.729 . 0 0 "[ . 1 . 2]" 1
224 1 21 VAL H 1 71 LEU HA . . 4.240 3.935 3.609 4.227 . 0 0 "[ . 1 . 2]" 1
225 1 21 VAL H 1 72 ARG QD . . 4.770 4.096 3.348 4.746 . 0 0 "[ . 1 . 2]" 1
226 1 21 VAL H 1 72 ARG QG . . 3.780 2.972 2.626 3.252 . 0 0 "[ . 1 . 2]" 1
227 1 21 VAL HA 1 21 VAL MG2 . . 3.650 2.250 2.126 2.359 . 0 0 "[ . 1 . 2]" 1
228 1 21 VAL HA 1 22 ALA H . . 2.690 2.166 2.144 2.224 . 0 0 "[ . 1 . 2]" 1
229 1 21 VAL HA 1 22 ALA MB . . 4.180 3.958 3.919 4.012 . 0 0 "[ . 1 . 2]" 1
230 1 21 VAL HA 1 41 ILE MD . . 3.960 3.123 2.660 3.362 . 0 0 "[ . 1 . 2]" 1
231 1 21 VAL HA 1 42 ILE H . . 3.950 3.756 3.461 3.955 0.005 13 0 "[ . 1 . 2]" 1
232 1 21 VAL HB 1 22 ALA H . . 4.580 4.236 4.042 4.348 . 0 0 "[ . 1 . 2]" 1
233 1 21 VAL HB 1 23 LEU MD2 . . 5.500 5.322 5.180 5.471 . 0 0 "[ . 1 . 2]" 1
234 1 21 VAL HB 1 70 GLU HB3 . . 5.500 4.895 4.644 5.228 . 0 0 "[ . 1 . 2]" 1
235 1 21 VAL HB 1 72 ARG QD . . 3.500 2.457 2.037 3.128 . 0 0 "[ . 1 . 2]" 1
236 1 21 VAL MG1 1 22 ALA H . . 4.100 3.845 3.707 4.035 . 0 0 "[ . 1 . 2]" 1
237 1 21 VAL MG1 1 22 ALA HA . . 5.500 4.346 4.234 4.544 . 0 0 "[ . 1 . 2]" 1
238 1 21 VAL MG1 1 39 ASP HA . . 4.020 3.921 3.799 4.023 0.003 19 0 "[ . 1 . 2]" 1
239 1 21 VAL MG1 1 39 ASP QB . . 5.340 5.187 4.896 5.348 0.008 13 0 "[ . 1 . 2]" 1
240 1 21 VAL MG1 1 41 ILE HA . . 5.490 5.302 4.712 5.496 0.006 20 0 "[ . 1 . 2]" 1
241 1 21 VAL MG1 1 70 GLU H . . 3.490 2.862 2.673 3.047 . 0 0 "[ . 1 . 2]" 1
242 1 21 VAL MG1 1 70 GLU HB2 . . 4.300 3.505 3.193 3.733 . 0 0 "[ . 1 . 2]" 1
243 1 21 VAL MG1 1 70 GLU HB3 . . 3.810 2.208 2.048 2.575 . 0 0 "[ . 1 . 2]" 1
244 1 21 VAL MG1 1 70 GLU HG2 . . 5.390 3.871 3.435 4.246 . 0 0 "[ . 1 . 2]" 1
245 1 21 VAL MG1 1 70 GLU QG . . 4.560 3.607 3.319 4.050 . 0 0 "[ . 1 . 2]" 1
246 1 21 VAL MG1 1 70 GLU HG3 . . 5.390 4.385 3.645 5.115 . 0 0 "[ . 1 . 2]" 1
247 1 21 VAL MG1 1 72 ARG QD . . 4.310 3.353 2.844 3.772 . 0 0 "[ . 1 . 2]" 1
248 1 21 VAL MG1 1 72 ARG QG . . 3.950 2.980 2.539 3.845 . 0 0 "[ . 1 . 2]" 1
249 1 21 VAL MG2 1 22 ALA H . . 3.210 2.370 2.018 2.660 . 0 0 "[ . 1 . 2]" 1
250 1 21 VAL MG2 1 22 ALA HA . . 4.860 4.255 4.033 4.433 . 0 0 "[ . 1 . 2]" 1
251 1 21 VAL MG2 1 39 ASP H . . 4.350 3.601 3.310 3.950 . 0 0 "[ . 1 . 2]" 1
252 1 21 VAL MG2 1 39 ASP HA . . 3.210 2.259 2.047 2.519 . 0 0 "[ . 1 . 2]" 1
253 1 21 VAL MG2 1 39 ASP QB . . 4.360 3.584 3.244 3.990 . 0 0 "[ . 1 . 2]" 1
254 1 21 VAL MG2 1 40 ASP H . . 5.280 3.108 2.679 3.440 . 0 0 "[ . 1 . 2]" 1
255 1 21 VAL MG2 1 41 ILE HA . . 4.480 3.590 3.316 3.868 . 0 0 "[ . 1 . 2]" 1
256 1 21 VAL MG2 1 41 ILE QG . . 4.470 3.817 3.042 4.150 . 0 0 "[ . 1 . 2]" 1
257 1 21 VAL MG2 1 70 GLU HB3 . . 5.210 4.750 4.320 5.213 0.003 13 0 "[ . 1 . 2]" 1
258 1 21 VAL MG2 1 72 ARG QD . . 3.920 3.636 3.298 3.931 0.011 20 0 "[ . 1 . 2]" 1
259 1 21 VAL MG2 1 72 ARG QG . . 5.100 4.244 3.531 4.777 . 0 0 "[ . 1 . 2]" 1
260 1 22 ALA H 1 22 ALA MB . . 2.830 2.124 2.024 2.259 . 0 0 "[ . 1 . 2]" 1
261 1 22 ALA H 1 23 LEU H . . 4.670 4.618 4.586 4.635 . 0 0 "[ . 1 . 2]" 1
262 1 22 ALA H 1 38 PRO HA . . 5.370 5.063 4.703 5.367 . 0 0 "[ . 1 . 2]" 1
263 1 22 ALA H 1 39 ASP HA . . 4.450 3.857 3.600 4.154 . 0 0 "[ . 1 . 2]" 1
264 1 22 ALA H 1 40 ASP H . . 4.080 2.700 2.421 2.872 . 0 0 "[ . 1 . 2]" 1
265 1 22 ALA H 1 40 ASP HB2 . . 5.210 4.015 3.524 5.025 . 0 0 "[ . 1 . 2]" 1
266 1 22 ALA H 1 40 ASP QB . . 4.470 3.530 3.340 4.184 . 0 0 "[ . 1 . 2]" 1
267 1 22 ALA H 1 40 ASP HB3 . . 5.210 4.197 3.470 4.727 . 0 0 "[ . 1 . 2]" 1
268 1 22 ALA H 1 41 ILE MD . . 5.150 4.326 3.998 4.530 . 0 0 "[ . 1 . 2]" 1
269 1 22 ALA H 1 42 ILE MD . . 3.750 3.006 2.718 3.299 . 0 0 "[ . 1 . 2]" 1
270 1 22 ALA H 1 69 VAL HB . . 5.080 4.452 4.197 4.742 . 0 0 "[ . 1 . 2]" 1
271 1 22 ALA H 1 69 VAL MG1 . . 4.480 3.951 3.736 4.255 . 0 0 "[ . 1 . 2]" 1
272 1 22 ALA HA 1 23 LEU H . . 2.790 2.235 2.195 2.271 . 0 0 "[ . 1 . 2]" 1
273 1 22 ALA HA 1 23 LEU MD1 . . 5.470 4.861 4.716 4.975 . 0 0 "[ . 1 . 2]" 1
274 1 22 ALA HA 1 23 LEU MD2 . . 5.500 4.397 4.246 4.528 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA HA 1 23 LEU HG . . 4.530 3.589 3.514 3.750 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA HA 1 24 TYR H . . 4.180 4.009 3.903 4.167 . 0 0 "[ . 1 . 2]" 1
277 1 22 ALA HA 1 42 ILE MD . . 4.150 3.981 3.837 4.133 . 0 0 "[ . 1 . 2]" 1
278 1 22 ALA HA 1 69 VAL H . . 4.910 4.678 4.551 4.817 . 0 0 "[ . 1 . 2]" 1
279 1 22 ALA HA 1 69 VAL HA . . 3.350 2.100 2.001 2.259 . 0 0 "[ . 1 . 2]" 1
280 1 22 ALA HA 1 69 VAL HB . . 4.150 3.124 2.916 3.398 . 0 0 "[ . 1 . 2]" 1
281 1 22 ALA HA 1 69 VAL MG1 . . 3.260 2.119 1.976 2.362 . 0 0 "[ . 1 . 2]" 1
282 1 22 ALA HA 1 69 VAL MG2 . . 4.940 4.335 4.223 4.492 . 0 0 "[ . 1 . 2]" 1
283 1 22 ALA HA 1 70 GLU H . . 4.030 3.634 3.488 3.831 . 0 0 "[ . 1 . 2]" 1
284 1 22 ALA MB 1 23 LEU H . . 3.730 2.837 2.697 2.955 . 0 0 "[ . 1 . 2]" 1
285 1 22 ALA MB 1 24 TYR H . . 3.560 3.294 3.061 3.528 . 0 0 "[ . 1 . 2]" 1
286 1 22 ALA MB 1 36 PHE HA . . 5.500 5.435 5.345 5.512 0.012 20 0 "[ . 1 . 2]" 1
287 1 22 ALA MB 1 36 PHE HB2 . . 4.080 3.437 3.281 3.568 . 0 0 "[ . 1 . 2]" 1
288 1 22 ALA MB 1 36 PHE HB3 . . 4.940 4.707 4.504 4.860 . 0 0 "[ . 1 . 2]" 1
289 1 22 ALA MB 1 36 PHE QD . . 2.990 2.869 2.660 2.991 0.001 17 0 "[ . 1 . 2]" 1
290 1 22 ALA MB 1 36 PHE QE . . 3.630 3.323 3.109 3.471 . 0 0 "[ . 1 . 2]" 1
291 1 22 ALA MB 1 36 PHE HZ . . 4.880 4.754 4.598 4.884 0.004 18 0 "[ . 1 . 2]" 1
292 1 22 ALA MB 1 38 PRO HA . . 3.500 2.238 1.962 2.586 . 0 0 "[ . 1 . 2]" 1
293 1 22 ALA MB 1 38 PRO QB . . 4.580 3.826 3.598 4.073 . 0 0 "[ . 1 . 2]" 1
294 1 22 ALA MB 1 39 ASP H . . 3.430 2.276 1.884 2.612 . 0 0 "[ . 1 . 2]" 1
295 1 22 ALA MB 1 39 ASP HA . . 4.510 3.713 3.489 4.036 . 0 0 "[ . 1 . 2]" 1
296 1 22 ALA MB 1 40 ASP H . . 3.530 2.010 1.887 2.320 . 0 0 "[ . 1 . 2]" 1
297 1 22 ALA MB 1 40 ASP HB2 . . 4.360 2.821 2.318 4.275 . 0 0 "[ . 1 . 2]" 1
298 1 22 ALA MB 1 40 ASP QB . . 3.640 2.574 2.293 3.104 . 0 0 "[ . 1 . 2]" 1
299 1 22 ALA MB 1 40 ASP HB3 . . 4.360 3.464 2.651 4.007 . 0 0 "[ . 1 . 2]" 1
300 1 22 ALA MB 1 41 ILE HA . . 5.500 5.215 4.922 5.491 . 0 0 "[ . 1 . 2]" 1
301 1 22 ALA MB 1 42 ILE MD . . 3.110 2.859 2.619 3.117 0.007 17 0 "[ . 1 . 2]" 1
302 1 22 ALA MB 1 68 TYR HA . . 5.500 5.429 5.300 5.500 0.000 19 0 "[ . 1 . 2]" 1
303 1 22 ALA MB 1 69 VAL HA . . 4.510 3.755 3.641 3.908 . 0 0 "[ . 1 . 2]" 1
304 1 22 ALA MB 1 69 VAL HB . . 5.110 4.222 3.992 4.495 . 0 0 "[ . 1 . 2]" 1
305 1 22 ALA MB 1 69 VAL MG1 . . 3.560 2.590 2.397 2.903 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU H 1 23 LEU HB2 . . 3.230 2.568 2.485 2.606 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU H 1 23 LEU HB3 . . 3.800 3.694 3.661 3.717 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU H 1 23 LEU MD1 . . 4.210 3.720 3.578 3.877 . 0 0 "[ . 1 . 2]" 1
309 1 23 LEU H 1 23 LEU MD2 . . 4.330 3.680 3.600 3.812 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU H 1 23 LEU HG . . 3.310 2.585 2.438 2.790 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU H 1 24 TYR H . . 2.820 2.102 2.003 2.217 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU H 1 24 TYR HA . . 4.980 4.772 4.711 4.852 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU H 1 24 TYR HB2 . . 5.010 4.926 4.772 5.010 0.000 18 0 "[ . 1 . 2]" 1
314 1 23 LEU H 1 24 TYR QD . . 4.550 3.685 3.491 3.948 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU H 1 38 PRO HA . . 5.440 4.329 4.124 4.660 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU H 1 39 ASP H . . 5.500 4.081 3.900 4.274 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU H 1 68 TYR HB3 . . 5.500 3.936 3.794 4.231 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU H 1 69 VAL H . . 4.910 4.446 4.280 4.589 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU H 1 69 VAL HA . . 3.150 2.617 2.444 2.726 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU H 1 69 VAL HB . . 4.940 4.739 4.488 4.891 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU H 1 69 VAL MG1 . . 3.900 3.402 3.282 3.513 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU H 1 70 GLU H . . 4.740 4.620 4.469 4.743 0.003 6 0 "[ . 1 . 2]" 1
323 1 23 LEU HA 1 23 LEU MD1 . . 4.530 3.924 3.893 3.955 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU HA 1 23 LEU MD2 . . 2.960 2.246 2.099 2.442 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU HA 1 23 LEU HG . . 4.080 3.122 3.051 3.174 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU HA 1 24 TYR QD . . 4.650 4.540 4.409 4.652 0.002 5 0 "[ . 1 . 2]" 1
327 1 23 LEU HB2 1 23 LEU MD1 . . 3.300 2.268 2.169 2.345 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU HB2 1 24 TYR H . . 3.410 2.730 2.549 2.910 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU HB2 1 24 TYR QD . . 3.510 2.182 2.061 2.418 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU HB2 1 24 TYR QE . . 3.750 2.504 2.354 2.733 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU HB2 1 69 VAL HA . . 5.120 4.083 3.767 4.281 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU HB3 1 23 LEU MD1 . . 3.470 2.430 2.361 2.546 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU HB3 1 23 LEU MD2 . . 3.630 2.224 2.121 2.286 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU HB3 1 24 TYR H . . 3.900 3.839 3.695 3.903 0.003 5 0 "[ . 1 . 2]" 1
335 1 23 LEU HB3 1 24 TYR QD . . 3.950 3.390 3.229 3.612 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU HB3 1 24 TYR QE . . 3.840 2.842 2.618 3.123 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU MD1 1 24 TYR H . . 4.980 4.479 4.324 4.680 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU MD1 1 24 TYR QD . . 3.950 3.517 3.395 3.702 . 0 0 "[ . 1 . 2]" 1
339 1 23 LEU MD1 1 24 TYR QE . . 3.330 2.376 2.129 2.585 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU MD1 1 69 VAL H . . 4.350 3.458 2.996 3.934 . 0 0 "[ . 1 . 2]" 1
341 1 23 LEU MD1 1 69 VAL HA . . 4.440 3.535 3.311 3.691 . 0 0 "[ . 1 . 2]" 1
342 1 23 LEU MD1 1 69 VAL HB . . 5.500 5.248 5.091 5.393 . 0 0 "[ . 1 . 2]" 1
343 1 23 LEU MD1 1 69 VAL MG2 . . 5.000 4.514 4.309 4.760 . 0 0 "[ . 1 . 2]" 1
344 1 23 LEU MD1 1 70 GLU H . . 4.420 4.071 3.820 4.283 . 0 0 "[ . 1 . 2]" 1
345 1 23 LEU MD1 1 70 GLU HB2 . . 3.460 2.361 1.960 2.568 . 0 0 "[ . 1 . 2]" 1
346 1 23 LEU MD1 1 70 GLU HB3 . . 3.980 3.813 3.372 3.987 0.007 20 0 "[ . 1 . 2]" 1
347 1 23 LEU MD1 1 70 GLU HG2 . . 5.110 4.542 3.673 5.035 . 0 0 "[ . 1 . 2]" 1
348 1 23 LEU MD1 1 70 GLU HG3 . . 5.110 4.315 3.584 5.057 . 0 0 "[ . 1 . 2]" 1
349 1 23 LEU MD2 1 24 TYR H . . 5.450 4.723 4.667 4.797 . 0 0 "[ . 1 . 2]" 1
350 1 23 LEU MD2 1 69 VAL HA . . 4.870 3.892 3.644 4.012 . 0 0 "[ . 1 . 2]" 1
351 1 23 LEU MD2 1 69 VAL HB . . 5.500 5.408 5.189 5.490 . 0 0 "[ . 1 . 2]" 1
352 1 23 LEU MD2 1 70 GLU H . . 4.440 3.729 3.250 3.973 . 0 0 "[ . 1 . 2]" 1
353 1 23 LEU MD2 1 70 GLU HB2 . . 3.480 2.396 2.145 2.646 . 0 0 "[ . 1 . 2]" 1
354 1 23 LEU MD2 1 70 GLU HB3 . . 3.610 2.805 2.413 3.156 . 0 0 "[ . 1 . 2]" 1
355 1 23 LEU MD2 1 70 GLU HG2 . . 4.920 4.057 3.074 4.708 . 0 0 "[ . 1 . 2]" 1
356 1 23 LEU MD2 1 70 GLU QG . . 4.130 3.631 3.008 4.103 . 0 0 "[ . 1 . 2]" 1
357 1 23 LEU MD2 1 70 GLU HG3 . . 4.920 4.323 3.716 4.838 . 0 0 "[ . 1 . 2]" 1
358 1 23 LEU HG 1 24 TYR H . . 4.440 4.229 4.125 4.403 . 0 0 "[ . 1 . 2]" 1
359 1 23 LEU HG 1 69 VAL HA . . 3.890 2.513 2.336 2.638 . 0 0 "[ . 1 . 2]" 1
360 1 23 LEU HG 1 69 VAL HB . . 4.920 4.702 4.553 4.878 . 0 0 "[ . 1 . 2]" 1
361 1 23 LEU HG 1 70 GLU H . . 4.310 3.398 3.118 3.574 . 0 0 "[ . 1 . 2]" 1
362 1 23 LEU HG 1 70 GLU HB2 . . 4.400 3.092 2.718 3.256 . 0 0 "[ . 1 . 2]" 1
363 1 23 LEU HG 1 70 GLU HB3 . . 4.700 3.916 3.235 4.192 . 0 0 "[ . 1 . 2]" 1
364 1 24 TYR H 1 24 TYR HB2 . . 3.390 2.964 2.893 3.025 . 0 0 "[ . 1 . 2]" 1
365 1 24 TYR H 1 24 TYR HB3 . . 4.110 3.913 3.876 3.941 . 0 0 "[ . 1 . 2]" 1
366 1 24 TYR H 1 24 TYR QD . . 3.850 2.594 2.423 2.798 . 0 0 "[ . 1 . 2]" 1
367 1 24 TYR H 1 25 ASP H . . 4.800 4.403 4.367 4.438 . 0 0 "[ . 1 . 2]" 1
368 1 24 TYR H 1 38 PRO HA . . 4.340 3.765 3.509 4.077 . 0 0 "[ . 1 . 2]" 1
369 1 24 TYR H 1 38 PRO QB . . 4.400 3.939 3.678 4.199 . 0 0 "[ . 1 . 2]" 1
370 1 24 TYR H 1 39 ASP H . . 4.820 4.428 4.116 4.707 . 0 0 "[ . 1 . 2]" 1
371 1 24 TYR H 1 68 TYR HA . . 4.520 3.734 3.489 3.901 . 0 0 "[ . 1 . 2]" 1
372 1 24 TYR H 1 68 TYR HB3 . . 4.550 3.491 3.291 3.804 . 0 0 "[ . 1 . 2]" 1
373 1 24 TYR H 1 69 VAL HA . . 4.720 4.560 4.313 4.709 . 0 0 "[ . 1 . 2]" 1
374 1 24 TYR H 1 69 VAL MG1 . . 4.650 4.548 4.429 4.651 0.001 12 0 "[ . 1 . 2]" 1
375 1 24 TYR HA 1 24 TYR QD . . 3.310 3.160 3.071 3.225 . 0 0 "[ . 1 . 2]" 1
376 1 24 TYR HA 1 24 TYR QE . . 5.200 4.903 4.863 4.945 . 0 0 "[ . 1 . 2]" 1
377 1 24 TYR HA 1 25 ASP H . . 3.480 2.302 2.259 2.357 . 0 0 "[ . 1 . 2]" 1
378 1 24 TYR HA 1 38 PRO HA . . 5.230 3.715 3.329 4.010 . 0 0 "[ . 1 . 2]" 1
379 1 24 TYR HA 1 38 PRO HB2 . . 4.520 3.455 3.128 3.604 . 0 0 "[ . 1 . 2]" 1
380 1 24 TYR HA 1 38 PRO HB3 . . 4.520 2.282 2.052 2.475 . 0 0 "[ . 1 . 2]" 1
381 1 24 TYR HA 1 38 PRO QG . . 4.300 3.984 3.747 4.255 . 0 0 "[ . 1 . 2]" 1
382 1 24 TYR HB2 1 25 ASP H . . 4.180 3.578 3.445 3.691 . 0 0 "[ . 1 . 2]" 1
383 1 24 TYR HB2 1 68 TYR HB2 . . 5.500 5.440 5.239 5.513 0.013 5 0 "[ . 1 . 2]" 1
384 1 24 TYR HB2 1 68 TYR HB3 . . 4.850 4.026 3.800 4.195 . 0 0 "[ . 1 . 2]" 1
385 1 24 TYR HB2 1 68 TYR QD . . 3.570 2.102 1.992 2.224 . 0 0 "[ . 1 . 2]" 1
386 1 24 TYR HB2 1 68 TYR QE . . 3.970 2.867 2.700 3.099 . 0 0 "[ . 1 . 2]" 1
387 1 24 TYR HB3 1 25 ASP H . . 3.590 2.762 2.622 2.873 . 0 0 "[ . 1 . 2]" 1
388 1 24 TYR HB3 1 68 TYR QD . . 4.110 3.725 3.562 3.844 . 0 0 "[ . 1 . 2]" 1
389 1 24 TYR HB3 1 68 TYR QE . . 4.230 3.762 3.480 4.037 . 0 0 "[ . 1 . 2]" 1
390 1 24 TYR QD 1 25 ASP H . . 4.380 4.341 4.276 4.378 . 0 0 "[ . 1 . 2]" 1
391 1 24 TYR QD 1 68 TYR H . . 5.500 5.373 5.200 5.499 . 0 0 "[ . 1 . 2]" 1
392 1 24 TYR QD 1 68 TYR HB2 . . 5.120 5.046 4.885 5.120 . 0 0 "[ . 1 . 2]" 1
393 1 24 TYR QD 1 68 TYR HB3 . . 4.070 3.905 3.677 4.072 0.002 5 0 "[ . 1 . 2]" 1
394 1 24 TYR QD 1 68 TYR QD . . 3.830 3.236 3.022 3.455 . 0 0 "[ . 1 . 2]" 1
395 1 24 TYR QD 1 69 VAL H . . 5.340 5.226 5.067 5.345 0.005 12 0 "[ . 1 . 2]" 1
396 1 25 ASP H 1 25 ASP HB2 . . 3.970 3.586 3.568 3.594 . 0 0 "[ . 1 . 2]" 1
397 1 25 ASP H 1 25 ASP HB3 . . 3.970 2.537 2.336 2.703 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASP H 1 38 PRO QB . . 3.780 2.506 2.240 2.764 . 0 0 "[ . 1 . 2]" 1
399 1 25 ASP H 1 38 PRO HD3 . . 4.500 3.482 3.118 3.815 . 0 0 "[ . 1 . 2]" 1
400 1 25 ASP H 1 38 PRO QG . . 4.080 3.257 2.970 3.591 . 0 0 "[ . 1 . 2]" 1
401 1 25 ASP H 1 68 TYR QE . . 5.500 5.168 4.860 5.436 . 0 0 "[ . 1 . 2]" 1
402 1 25 ASP HA 1 26 TYR H . . 2.800 2.196 2.144 2.291 . 0 0 "[ . 1 . 2]" 1
403 1 25 ASP HA 1 36 PHE QD . . 4.490 4.084 3.688 4.287 . 0 0 "[ . 1 . 2]" 1
404 1 25 ASP HA 1 37 ASP HA . . 3.720 3.060 2.813 3.283 . 0 0 "[ . 1 . 2]" 1
405 1 25 ASP HA 1 38 PRO HA . . 5.500 3.708 3.466 4.071 . 0 0 "[ . 1 . 2]" 1
406 1 25 ASP HA 1 38 PRO HD2 . . 4.310 3.942 3.703 4.170 . 0 0 "[ . 1 . 2]" 1
407 1 25 ASP HA 1 38 PRO HD3 . . 3.920 2.283 1.996 2.525 . 0 0 "[ . 1 . 2]" 1
408 1 25 ASP QB 1 26 TYR H . . 3.380 2.996 2.673 3.247 . 0 0 "[ . 1 . 2]" 1
409 1 25 ASP QB 1 27 GLN QE . . 3.700 3.208 2.479 3.710 0.010 9 0 "[ . 1 . 2]" 1
410 1 25 ASP QB 1 37 ASP QB . . 5.180 4.584 4.183 4.872 . 0 0 "[ . 1 . 2]" 1
411 1 25 ASP QB 1 38 PRO HD2 . . 4.290 3.403 3.281 3.571 . 0 0 "[ . 1 . 2]" 1
412 1 25 ASP QB 1 38 PRO HD3 . . 3.260 2.010 1.959 2.168 . 0 0 "[ . 1 . 2]" 1
413 1 25 ASP HB2 1 37 ASP HA . . 4.100 3.837 3.320 4.103 0.003 9 0 "[ . 1 . 2]" 1
414 1 25 ASP HB2 1 38 PRO HD2 . . 5.090 4.439 3.935 4.781 . 0 0 "[ . 1 . 2]" 1
415 1 25 ASP HB2 1 38 PRO HD3 . . 3.770 2.958 2.437 3.352 . 0 0 "[ . 1 . 2]" 1
416 1 25 ASP HB3 1 37 ASP HA . . 4.100 3.928 3.513 4.102 0.002 5 0 "[ . 1 . 2]" 1
417 1 25 ASP HB3 1 38 PRO HD2 . . 5.090 3.546 3.401 3.687 . 0 0 "[ . 1 . 2]" 1
418 1 25 ASP HB3 1 38 PRO HD3 . . 3.770 2.051 1.999 2.203 . 0 0 "[ . 1 . 2]" 1
419 1 26 TYR H 1 26 TYR HB2 . . 3.750 2.954 2.750 3.159 . 0 0 "[ . 1 . 2]" 1
420 1 26 TYR H 1 26 TYR HB3 . . 3.490 2.925 2.785 3.073 . 0 0 "[ . 1 . 2]" 1
421 1 26 TYR H 1 26 TYR QD . . 4.780 4.412 4.329 4.485 . 0 0 "[ . 1 . 2]" 1
422 1 26 TYR H 1 27 GLN H . . 4.570 4.342 4.114 4.511 . 0 0 "[ . 1 . 2]" 1
423 1 26 TYR H 1 27 GLN QE . . 4.680 4.108 2.735 4.688 0.008 9 0 "[ . 1 . 2]" 1
424 1 26 TYR H 1 36 PHE QD . . 3.590 3.383 3.000 3.593 0.003 18 0 "[ . 1 . 2]" 1
425 1 26 TYR H 1 36 PHE QE . . 5.110 4.240 3.857 4.402 . 0 0 "[ . 1 . 2]" 1
426 1 26 TYR H 1 37 ASP HA . . 4.060 3.719 3.370 3.959 . 0 0 "[ . 1 . 2]" 1
427 1 26 TYR H 1 38 PRO HD3 . . 4.770 4.114 3.816 4.495 . 0 0 "[ . 1 . 2]" 1
428 1 26 TYR HA 1 26 TYR QD . . 3.370 3.005 2.788 3.098 . 0 0 "[ . 1 . 2]" 1
429 1 26 TYR HA 1 27 GLN H . . 2.650 2.234 2.139 2.407 . 0 0 "[ . 1 . 2]" 1
430 1 26 TYR HA 1 27 GLN QB . . 4.750 4.394 4.114 4.678 . 0 0 "[ . 1 . 2]" 1
431 1 26 TYR HA 1 27 GLN QE . . 4.760 3.925 2.544 4.613 . 0 0 "[ . 1 . 2]" 1
432 1 26 TYR HA 1 68 TYR QD . . 4.420 4.283 4.069 4.412 . 0 0 "[ . 1 . 2]" 1
433 1 26 TYR HA 1 68 TYR QE . . 4.410 4.282 4.023 4.412 0.002 13 0 "[ . 1 . 2]" 1
434 1 26 TYR HB2 1 27 GLN H . . 4.360 4.212 3.928 4.416 0.056 19 0 "[ . 1 . 2]" 1
435 1 26 TYR HB2 1 36 PHE H . . 4.690 4.318 4.043 4.691 0.001 14 0 "[ . 1 . 2]" 1
436 1 26 TYR HB2 1 36 PHE QE . . 3.970 2.408 2.063 2.673 . 0 0 "[ . 1 . 2]" 1
437 1 26 TYR HB2 1 36 PHE HZ . . 5.000 4.206 3.879 4.395 . 0 0 "[ . 1 . 2]" 1
438 1 26 TYR HB2 1 68 TYR QD . . 3.490 3.283 3.092 3.505 0.015 5 0 "[ . 1 . 2]" 1
439 1 26 TYR HB2 1 68 TYR QE . . 4.870 4.580 4.321 4.748 . 0 0 "[ . 1 . 2]" 1
440 1 26 TYR HB3 1 27 GLN H . . 4.260 3.770 3.336 4.167 . 0 0 "[ . 1 . 2]" 1
441 1 26 TYR HB3 1 35 SER HA . . 5.050 3.392 3.098 3.804 . 0 0 "[ . 1 . 2]" 1
442 1 26 TYR HB3 1 36 PHE H . . 3.940 2.864 2.534 3.384 . 0 0 "[ . 1 . 2]" 1
443 1 26 TYR HB3 1 36 PHE QD . . 4.140 3.226 2.809 3.611 . 0 0 "[ . 1 . 2]" 1
444 1 26 TYR HB3 1 36 PHE QE . . 4.090 2.725 2.300 3.196 . 0 0 "[ . 1 . 2]" 1
445 1 26 TYR HB3 1 36 PHE HZ . . 4.440 3.941 3.616 4.158 . 0 0 "[ . 1 . 2]" 1
446 1 26 TYR QD 1 27 GLN H . . 3.730 2.967 2.350 3.686 . 0 0 "[ . 1 . 2]" 1
447 1 26 TYR QD 1 28 ALA H . . 4.180 3.052 2.852 3.559 . 0 0 "[ . 1 . 2]" 1
448 1 26 TYR QD 1 28 ALA HA . . 4.010 3.294 3.108 3.616 . 0 0 "[ . 1 . 2]" 1
449 1 26 TYR QD 1 28 ALA MB . . 4.510 3.841 3.644 4.314 . 0 0 "[ . 1 . 2]" 1
450 1 26 TYR QD 1 33 GLU HB3 . . 4.880 4.613 4.352 4.813 . 0 0 "[ . 1 . 2]" 1
451 1 26 TYR QD 1 35 SER HA . . 3.820 3.144 2.638 3.576 . 0 0 "[ . 1 . 2]" 1
452 1 26 TYR QD 1 64 PHE HB2 . . 5.290 4.986 4.593 5.280 . 0 0 "[ . 1 . 2]" 1
453 1 26 TYR QD 1 65 PRO HD2 . . 4.350 4.051 3.915 4.182 . 0 0 "[ . 1 . 2]" 1
454 1 26 TYR QD 1 65 PRO HG2 . . 4.550 3.504 3.372 3.638 . 0 0 "[ . 1 . 2]" 1
455 1 26 TYR QD 1 65 PRO HG3 . . 4.480 3.676 3.504 3.846 . 0 0 "[ . 1 . 2]" 1
456 1 26 TYR QE 1 28 ALA HA . . 3.380 2.584 2.247 2.943 . 0 0 "[ . 1 . 2]" 1
457 1 26 TYR QE 1 28 ALA MB . . 4.930 3.905 3.380 4.405 . 0 0 "[ . 1 . 2]" 1
458 1 26 TYR QE 1 29 ALA H . . 3.910 3.521 2.940 3.910 . 0 0 "[ . 1 . 2]" 1
459 1 26 TYR QE 1 33 GLU HB2 . . 4.790 4.426 4.138 4.751 . 0 0 "[ . 1 . 2]" 1
460 1 26 TYR QE 1 33 GLU HB3 . . 3.900 3.415 3.027 3.905 0.005 20 0 "[ . 1 . 2]" 1
461 1 26 TYR QE 1 65 PRO HD2 . . 4.320 3.672 3.197 3.979 . 0 0 "[ . 1 . 2]" 1
462 1 26 TYR QE 1 65 PRO HD3 . . 4.170 3.494 3.213 3.706 . 0 0 "[ . 1 . 2]" 1
463 1 26 TYR QE 1 65 PRO HG2 . . 4.450 3.064 2.848 3.316 . 0 0 "[ . 1 . 2]" 1
464 1 26 TYR QE 1 65 PRO HG3 . . 4.240 2.122 1.995 2.282 . 0 0 "[ . 1 . 2]" 1
465 1 26 TYR QE 1 68 TYR H . . 5.110 5.103 5.054 5.133 0.023 5 0 "[ . 1 . 2]" 1
466 1 27 GLN H 1 27 GLN QB . . 2.940 2.793 2.612 3.024 0.084 10 0 "[ . 1 . 2]" 1
467 1 27 GLN H 1 27 GLN QG . . 3.870 2.801 1.888 3.714 . 0 0 "[ . 1 . 2]" 1
468 1 27 GLN H 1 28 ALA H . . 4.400 3.956 3.851 4.241 . 0 0 "[ . 1 . 2]" 1
469 1 27 GLN HA 1 27 GLN HG2 . . 4.170 3.448 2.944 3.658 . 0 0 "[ . 1 . 2]" 1
470 1 27 GLN HA 1 27 GLN QG . . 3.660 2.996 2.280 3.451 . 0 0 "[ . 1 . 2]" 1
471 1 27 GLN HA 1 27 GLN HG3 . . 4.170 3.554 2.309 4.238 0.068 14 0 "[ . 1 . 2]" 1
472 1 27 GLN HA 1 28 ALA H . . 2.630 2.193 2.143 2.208 . 0 0 "[ . 1 . 2]" 1
473 1 27 GLN HA 1 28 ALA MB . . 4.110 3.972 3.909 4.014 . 0 0 "[ . 1 . 2]" 1
474 1 27 GLN HA 1 35 SER HA . . 4.280 3.357 2.787 3.662 . 0 0 "[ . 1 . 2]" 1
475 1 27 GLN HA 1 35 SER HB2 . . 4.330 2.854 1.998 3.898 . 0 0 "[ . 1 . 2]" 1
476 1 27 GLN HA 1 35 SER QB . . 3.570 2.203 1.829 2.414 . 0 0 "[ . 1 . 2]" 1
477 1 27 GLN HA 1 35 SER HB3 . . 4.330 2.602 2.000 3.848 . 0 0 "[ . 1 . 2]" 1
478 1 27 GLN HA 1 36 PHE H . . 4.750 4.393 3.965 4.733 . 0 0 "[ . 1 . 2]" 1
479 1 27 GLN QB 1 28 ALA H . . 3.660 3.635 3.426 3.675 0.015 13 0 "[ . 1 . 2]" 1
480 1 27 GLN QB 1 28 ALA MB . . 4.650 4.585 4.335 4.679 0.029 20 0 "[ . 1 . 2]" 1
481 1 27 GLN QG 1 28 ALA H . . 5.100 4.567 4.283 4.936 . 0 0 "[ . 1 . 2]" 1
482 1 28 ALA H 1 28 ALA MB . . 2.820 2.205 2.062 2.265 . 0 0 "[ . 1 . 2]" 1
483 1 28 ALA H 1 29 ALA H . . 4.700 4.525 4.384 4.609 . 0 0 "[ . 1 . 2]" 1
484 1 28 ALA H 1 35 SER H . . 4.770 4.034 3.711 4.198 . 0 0 "[ . 1 . 2]" 1
485 1 28 ALA H 1 35 SER HA . . 3.520 2.627 2.261 2.822 . 0 0 "[ . 1 . 2]" 1
486 1 28 ALA H 1 35 SER HB2 . . 4.170 3.082 1.899 3.849 . 0 0 "[ . 1 . 2]" 1
487 1 28 ALA H 1 35 SER QB . . 3.480 2.154 1.828 2.863 . 0 0 "[ . 1 . 2]" 1
488 1 28 ALA H 1 35 SER HB3 . . 4.170 2.285 1.899 3.605 . 0 0 "[ . 1 . 2]" 1
489 1 28 ALA H 1 35 SER HG . . 4.620 3.372 1.927 4.476 . 0 0 "[ . 1 . 2]" 1
490 1 28 ALA H 1 36 PHE H . . 5.030 4.534 4.231 4.772 . 0 0 "[ . 1 . 2]" 1
491 1 28 ALA HA 1 29 ALA H . . 2.680 2.164 2.141 2.225 . 0 0 "[ . 1 . 2]" 1
492 1 28 ALA HA 1 29 ALA MB . . 4.200 3.969 3.914 4.006 . 0 0 "[ . 1 . 2]" 1
493 1 28 ALA HA 1 30 GLY H . . 4.350 3.857 3.483 4.125 . 0 0 "[ . 1 . 2]" 1
494 1 28 ALA HA 1 33 GLU HB2 . . 3.880 2.909 2.555 3.288 . 0 0 "[ . 1 . 2]" 1
495 1 28 ALA HA 1 33 GLU HB3 . . 3.860 2.695 2.442 3.166 . 0 0 "[ . 1 . 2]" 1
496 1 28 ALA HA 1 33 GLU HG2 . . 4.750 4.572 4.213 4.753 0.003 10 0 "[ . 1 . 2]" 1
497 1 28 ALA HA 1 33 GLU HG3 . . 5.500 5.089 4.836 5.411 . 0 0 "[ . 1 . 2]" 1
498 1 28 ALA MB 1 29 ALA H . . 3.490 3.100 2.811 3.375 . 0 0 "[ . 1 . 2]" 1
499 1 28 ALA MB 1 30 GLY H . . 3.140 2.926 2.608 3.141 0.001 18 0 "[ . 1 . 2]" 1
500 1 28 ALA MB 1 33 GLU H . . 3.860 3.467 3.238 3.847 . 0 0 "[ . 1 . 2]" 1
501 1 28 ALA MB 1 33 GLU HA . . 4.800 3.707 3.447 4.020 . 0 0 "[ . 1 . 2]" 1
502 1 28 ALA MB 1 33 GLU HB2 . . 3.290 2.180 1.960 2.712 . 0 0 "[ . 1 . 2]" 1
503 1 28 ALA MB 1 33 GLU HB3 . . 3.670 2.468 2.048 2.968 . 0 0 "[ . 1 . 2]" 1
504 1 28 ALA MB 1 33 GLU HG2 . . 4.790 4.363 4.024 4.790 . 0 0 "[ . 1 . 2]" 1
505 1 28 ALA MB 1 33 GLU HG3 . . 5.110 4.377 4.115 4.788 . 0 0 "[ . 1 . 2]" 1
506 1 28 ALA MB 1 34 ILE H . . 4.080 2.949 2.648 3.261 . 0 0 "[ . 1 . 2]" 1
507 1 28 ALA MB 1 34 ILE HA . . 3.940 2.651 2.418 2.800 . 0 0 "[ . 1 . 2]" 1
508 1 28 ALA MB 1 34 ILE MG . . 4.670 3.979 3.802 4.127 . 0 0 "[ . 1 . 2]" 1
509 1 28 ALA MB 1 35 SER H . . 4.070 3.135 2.906 3.338 . 0 0 "[ . 1 . 2]" 1
510 1 28 ALA MB 1 35 SER HA . . 4.690 3.385 3.090 3.558 . 0 0 "[ . 1 . 2]" 1
511 1 28 ALA MB 1 35 SER QB . . 4.620 2.831 1.980 3.644 . 0 0 "[ . 1 . 2]" 1
512 1 29 ALA H 1 29 ALA MB . . 2.920 2.190 2.037 2.415 . 0 0 "[ . 1 . 2]" 1
513 1 29 ALA H 1 30 GLY H . . 3.070 2.573 2.283 2.930 . 0 0 "[ . 1 . 2]" 1
514 1 29 ALA H 1 33 GLU H . . 5.500 4.966 4.456 5.204 . 0 0 "[ . 1 . 2]" 1
515 1 29 ALA H 1 33 GLU HB2 . . 3.620 2.863 2.298 3.118 . 0 0 "[ . 1 . 2]" 1
516 1 29 ALA H 1 33 GLU HB3 . . 3.880 3.529 3.048 3.881 0.001 9 0 "[ . 1 . 2]" 1
517 1 29 ALA H 1 33 GLU HG2 . . 5.340 4.570 3.824 4.930 . 0 0 "[ . 1 . 2]" 1
518 1 29 ALA H 1 33 GLU HG3 . . 5.500 4.648 4.183 5.176 . 0 0 "[ . 1 . 2]" 1
519 1 29 ALA MB 1 30 GLY H . . 3.540 2.830 2.564 3.514 . 0 0 "[ . 1 . 2]" 1
520 1 29 ALA MB 1 33 GLU HB2 . . 4.900 3.986 3.608 4.473 . 0 0 "[ . 1 . 2]" 1
521 1 29 ALA MB 1 33 GLU HG2 . . 5.230 4.957 4.199 5.230 . 13 0 "[ . 1 . 2]" 1
522 1 30 GLY H 1 31 ASP H . . 5.080 4.091 2.087 4.542 . 0 0 "[ . 1 . 2]" 1
523 1 30 GLY H 1 32 ASP H . . 4.990 4.742 4.391 4.919 . 0 0 "[ . 1 . 2]" 1
524 1 30 GLY H 1 33 GLU H . . 4.160 3.435 3.202 3.609 . 0 0 "[ . 1 . 2]" 1
525 1 30 GLY H 1 33 GLU HA . . 5.500 5.396 5.196 5.503 0.003 8 0 "[ . 1 . 2]" 1
526 1 30 GLY H 1 33 GLU HB2 . . 3.370 2.572 2.458 2.676 . 0 0 "[ . 1 . 2]" 1
527 1 30 GLY H 1 33 GLU HB3 . . 4.420 4.196 3.955 4.345 . 0 0 "[ . 1 . 2]" 1
528 1 30 GLY QA 1 32 ASP H . . 4.190 3.418 2.903 3.817 . 0 0 "[ . 1 . 2]" 1
529 1 30 GLY QA 1 33 GLU H . . 4.330 3.746 3.245 3.974 . 0 0 "[ . 1 . 2]" 1
530 1 30 GLY QA 1 33 GLU HG3 . . 5.270 5.044 4.228 5.273 0.003 18 0 "[ . 1 . 2]" 1
531 1 30 GLY HA2 1 32 ASP H . . 4.930 4.450 3.257 4.898 . 0 0 "[ . 1 . 2]" 1
532 1 30 GLY HA3 1 32 ASP H . . 4.930 3.638 2.980 4.614 . 0 0 "[ . 1 . 2]" 1
533 1 31 ASP H 1 32 ASP H . . 4.610 2.717 2.260 3.819 . 0 0 "[ . 1 . 2]" 1
534 1 31 ASP HA 1 33 GLU H . . 4.530 4.354 4.090 4.526 . 0 0 "[ . 1 . 2]" 1
535 1 31 ASP QB 1 32 ASP H . . 4.060 3.068 2.530 3.900 . 0 0 "[ . 1 . 2]" 1
536 1 31 ASP HB2 1 32 ASP H . . 4.740 3.631 2.580 4.522 . 0 0 "[ . 1 . 2]" 1
537 1 31 ASP HB3 1 32 ASP H . . 4.740 3.581 2.582 4.501 . 0 0 "[ . 1 . 2]" 1
538 1 32 ASP H 1 32 ASP HB2 . . 4.100 2.944 2.350 3.585 . 0 0 "[ . 1 . 2]" 1
539 1 32 ASP H 1 32 ASP HB3 . . 4.100 3.453 2.704 4.076 . 0 0 "[ . 1 . 2]" 1
540 1 32 ASP H 1 33 GLU H . . 2.930 2.781 2.243 2.928 . 0 0 "[ . 1 . 2]" 1
541 1 32 ASP H 1 33 GLU HG3 . . 5.220 4.890 4.320 5.135 . 0 0 "[ . 1 . 2]" 1
542 1 32 ASP QB 1 33 GLU H . . 3.740 2.843 2.337 3.746 0.006 18 0 "[ . 1 . 2]" 1
543 1 32 ASP QB 1 33 GLU HG3 . . 4.360 3.393 2.795 4.364 0.004 5 0 "[ . 1 . 2]" 1
544 1 32 ASP QB 1 63 LEU H . . 4.250 3.640 3.153 3.940 . 0 0 "[ . 1 . 2]" 1
545 1 32 ASP HB2 1 63 LEU MD1 . . 4.160 3.444 2.508 4.011 . 0 0 "[ . 1 . 2]" 1
546 1 32 ASP HB3 1 63 LEU MD1 . . 4.160 3.233 2.670 4.137 . 0 0 "[ . 1 . 2]" 1
547 1 33 GLU H 1 33 GLU HB2 . . 3.150 2.387 2.275 2.457 . 0 0 "[ . 1 . 2]" 1
548 1 33 GLU H 1 33 GLU HG2 . . 4.450 3.921 3.776 4.101 . 0 0 "[ . 1 . 2]" 1
549 1 33 GLU H 1 33 GLU HG3 . . 3.340 2.621 2.459 3.344 0.004 9 0 "[ . 1 . 2]" 1
550 1 33 GLU H 1 34 ILE H . . 4.770 4.603 4.530 4.629 . 0 0 "[ . 1 . 2]" 1
551 1 33 GLU H 1 63 LEU H . . 4.920 4.474 4.298 4.556 . 0 0 "[ . 1 . 2]" 1
552 1 33 GLU H 1 63 LEU HB2 . . 4.880 4.534 4.336 4.802 . 0 0 "[ . 1 . 2]" 1
553 1 33 GLU HA 1 33 GLU HG2 . . 3.640 2.758 2.554 3.527 . 0 0 "[ . 1 . 2]" 1
554 1 33 GLU HA 1 33 GLU HG3 . . 3.980 2.731 2.351 2.861 . 0 0 "[ . 1 . 2]" 1
555 1 33 GLU HA 1 34 ILE H . . 2.960 2.346 2.275 2.545 . 0 0 "[ . 1 . 2]" 1
556 1 33 GLU HA 1 34 ILE MG . . 4.470 3.631 3.430 3.891 . 0 0 "[ . 1 . 2]" 1
557 1 33 GLU HA 1 62 GLY HA2 . . 5.040 4.635 3.935 4.807 . 0 0 "[ . 1 . 2]" 1
558 1 33 GLU HA 1 62 GLY HA3 . . 4.270 3.509 2.816 3.695 . 0 0 "[ . 1 . 2]" 1
559 1 33 GLU HA 1 63 LEU H . . 2.910 2.553 2.013 2.674 . 0 0 "[ . 1 . 2]" 1
560 1 33 GLU HA 1 63 LEU HB2 . . 4.000 3.002 2.835 3.202 . 0 0 "[ . 1 . 2]" 1
561 1 33 GLU HB2 1 34 ILE H . . 4.100 3.794 3.384 3.919 . 0 0 "[ . 1 . 2]" 1
562 1 33 GLU HB2 1 63 LEU H . . 5.500 5.452 4.938 5.512 0.012 13 0 "[ . 1 . 2]" 1
563 1 33 GLU HB3 1 34 ILE H . . 3.070 2.572 2.128 2.757 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLU HB3 1 63 LEU H . . 5.290 5.008 4.307 5.211 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLU HG2 1 34 ILE H . . 4.230 3.980 3.666 4.234 0.004 9 0 "[ . 1 . 2]" 1
566 1 33 GLU HG2 1 63 LEU H . . 4.770 4.508 4.332 4.773 0.003 9 0 "[ . 1 . 2]" 1
567 1 33 GLU HG2 1 63 LEU HB2 . . 4.010 3.375 3.101 3.770 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLU HG2 1 63 LEU HB3 . . 3.970 3.434 2.974 3.920 . 0 0 "[ . 1 . 2]" 1
569 1 33 GLU HG2 1 63 LEU MD1 . . 4.740 4.460 4.165 4.674 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLU HG3 1 63 LEU H . . 5.470 4.314 3.186 4.567 . 0 0 "[ . 1 . 2]" 1
571 1 33 GLU HG3 1 63 LEU HB2 . . 4.320 3.215 2.196 3.465 . 0 0 "[ . 1 . 2]" 1
572 1 33 GLU HG3 1 63 LEU HB3 . . 4.320 3.980 2.988 4.242 . 0 0 "[ . 1 . 2]" 1
573 1 34 ILE H 1 34 ILE MD . . 3.980 3.788 3.707 3.858 . 0 0 "[ . 1 . 2]" 1
574 1 34 ILE H 1 34 ILE HG12 . . 3.060 2.197 2.062 2.367 . 0 0 "[ . 1 . 2]" 1
575 1 34 ILE H 1 34 ILE HG13 . . 3.410 2.642 2.357 2.958 . 0 0 "[ . 1 . 2]" 1
576 1 34 ILE H 1 34 ILE MG . . 3.530 2.914 2.784 3.156 . 0 0 "[ . 1 . 2]" 1
577 1 34 ILE H 1 35 SER H . . 4.980 4.505 4.444 4.531 . 0 0 "[ . 1 . 2]" 1
578 1 34 ILE H 1 36 PHE QE . . 5.490 4.736 4.592 5.054 . 0 0 "[ . 1 . 2]" 1
579 1 34 ILE H 1 62 GLY HA3 . . 4.100 3.901 3.715 4.102 0.002 16 0 "[ . 1 . 2]" 1
580 1 34 ILE H 1 63 LEU H . . 4.160 4.085 3.920 4.167 0.007 13 0 "[ . 1 . 2]" 1
581 1 34 ILE H 1 63 LEU HB2 . . 5.040 4.948 4.770 5.043 0.003 9 0 "[ . 1 . 2]" 1
582 1 34 ILE H 1 64 PHE HB2 . . 4.720 4.539 4.437 4.721 0.001 9 0 "[ . 1 . 2]" 1
583 1 34 ILE H 1 64 PHE HB3 . . 4.280 3.331 3.182 3.470 . 0 0 "[ . 1 . 2]" 1
584 1 34 ILE H 1 64 PHE QD . . 4.850 4.747 4.488 4.850 . 0 0 "[ . 1 . 2]" 1
585 1 34 ILE HA 1 34 ILE MD . . 4.620 4.169 4.150 4.181 . 0 0 "[ . 1 . 2]" 1
586 1 34 ILE HA 1 34 ILE MG . . 3.190 2.296 2.157 2.391 . 0 0 "[ . 1 . 2]" 1
587 1 34 ILE HA 1 35 SER H . . 2.940 2.297 2.253 2.390 . 0 0 "[ . 1 . 2]" 1
588 1 34 ILE HB 1 34 ILE MD . . 3.340 2.347 2.225 2.400 . 0 0 "[ . 1 . 2]" 1
589 1 34 ILE HB 1 35 SER H . . 2.810 2.656 2.410 2.811 0.001 17 0 "[ . 1 . 2]" 1
590 1 34 ILE HB 1 57 CYS HB2 . . 5.500 5.364 5.128 5.506 0.006 17 0 "[ . 1 . 2]" 1
591 1 34 ILE HB 1 57 CYS HB3 . . 4.700 4.541 3.875 4.706 0.006 13 0 "[ . 1 . 2]" 1
592 1 34 ILE HB 1 62 GLY H . . 5.350 4.677 4.523 4.853 . 0 0 "[ . 1 . 2]" 1
593 1 34 ILE MD 1 36 PHE QD . . 3.390 2.184 1.969 2.346 . 0 0 "[ . 1 . 2]" 1
594 1 34 ILE MD 1 36 PHE QE . . 3.590 2.273 1.965 2.735 . 0 0 "[ . 1 . 2]" 1
595 1 34 ILE MD 1 36 PHE HZ . . 5.370 4.386 4.058 4.797 . 0 0 "[ . 1 . 2]" 1
596 1 34 ILE MD 1 42 ILE MD . . 4.550 4.491 4.371 4.563 0.013 13 0 "[ . 1 . 2]" 1
597 1 34 ILE MD 1 42 ILE HG12 . . 4.110 3.696 3.551 3.791 . 0 0 "[ . 1 . 2]" 1
598 1 34 ILE MD 1 42 ILE HG13 . . 4.730 4.616 4.449 4.704 . 0 0 "[ . 1 . 2]" 1
599 1 34 ILE MD 1 55 GLY H . . 3.970 3.078 2.852 3.424 . 0 0 "[ . 1 . 2]" 1
600 1 34 ILE MD 1 56 VAL HA . . 4.480 4.232 3.947 4.441 . 0 0 "[ . 1 . 2]" 1
601 1 34 ILE MD 1 57 CYS H . . 3.500 3.227 3.033 3.489 . 0 0 "[ . 1 . 2]" 1
602 1 34 ILE MD 1 57 CYS HB2 . . 3.740 3.603 3.109 3.741 0.001 7 0 "[ . 1 . 2]" 1
603 1 34 ILE MD 1 57 CYS HB3 . . 3.450 2.530 2.061 2.769 . 0 0 "[ . 1 . 2]" 1
604 1 34 ILE MD 1 61 TYR HA . . 4.340 3.495 3.212 3.707 . 0 0 "[ . 1 . 2]" 1
605 1 34 ILE MD 1 62 GLY H . . 4.420 2.709 2.422 2.905 . 0 0 "[ . 1 . 2]" 1
606 1 34 ILE MD 1 64 PHE HB2 . . 4.850 3.739 3.332 4.080 . 0 0 "[ . 1 . 2]" 1
607 1 34 ILE MD 1 64 PHE HB3 . . 4.030 2.723 2.393 2.996 . 0 0 "[ . 1 . 2]" 1
608 1 34 ILE MD 1 64 PHE QD . . 3.940 2.151 1.906 2.448 . 0 0 "[ . 1 . 2]" 1
609 1 34 ILE MD 1 64 PHE QE . . 4.180 3.444 3.121 3.616 . 0 0 "[ . 1 . 2]" 1
610 1 34 ILE HG12 1 34 ILE MG . . 3.520 2.301 2.177 2.416 . 0 0 "[ . 1 . 2]" 1
611 1 34 ILE HG12 1 35 SER H . . 5.280 4.975 4.769 5.136 . 0 0 "[ . 1 . 2]" 1
612 1 34 ILE HG12 1 36 PHE QE . . 4.680 3.613 3.293 4.182 . 0 0 "[ . 1 . 2]" 1
613 1 34 ILE HG12 1 55 GLY H . . 5.180 4.706 4.436 5.003 . 0 0 "[ . 1 . 2]" 1
614 1 34 ILE HG12 1 62 GLY H . . 4.990 3.510 3.078 3.792 . 0 0 "[ . 1 . 2]" 1
615 1 34 ILE HG12 1 64 PHE HB2 . . 4.550 4.048 3.709 4.550 . 0 0 "[ . 1 . 2]" 1
616 1 34 ILE HG12 1 64 PHE HB3 . . 3.950 2.434 2.091 2.920 . 0 0 "[ . 1 . 2]" 1
617 1 34 ILE HG12 1 64 PHE QD . . 4.720 3.045 2.632 3.316 . 0 0 "[ . 1 . 2]" 1
618 1 34 ILE HG13 1 35 SER H . . 4.420 4.055 3.745 4.386 . 0 0 "[ . 1 . 2]" 1
619 1 34 ILE HG13 1 36 PHE QD . . 3.830 3.146 2.803 3.465 . 0 0 "[ . 1 . 2]" 1
620 1 34 ILE HG13 1 36 PHE QE . . 4.250 2.505 2.305 2.904 . 0 0 "[ . 1 . 2]" 1
621 1 34 ILE HG13 1 64 PHE HB2 . . 4.720 3.549 3.328 3.746 . 0 0 "[ . 1 . 2]" 1
622 1 34 ILE HG13 1 64 PHE HB3 . . 4.000 2.561 2.312 2.911 . 0 0 "[ . 1 . 2]" 1
623 1 34 ILE HG13 1 64 PHE QD . . 4.890 3.770 3.344 4.033 . 0 0 "[ . 1 . 2]" 1
624 1 34 ILE MG 1 35 SER H . . 3.720 3.643 3.456 3.721 0.001 7 0 "[ . 1 . 2]" 1
625 1 34 ILE MG 1 56 VAL HA . . 4.880 4.683 4.306 4.881 0.001 17 0 "[ . 1 . 2]" 1
626 1 34 ILE MG 1 57 CYS H . . 4.140 3.994 3.552 4.143 0.003 8 0 "[ . 1 . 2]" 1
627 1 34 ILE MG 1 57 CYS HB3 . . 4.860 4.588 3.929 4.843 . 0 0 "[ . 1 . 2]" 1
628 1 34 ILE MG 1 60 ARG HB2 . . 3.700 3.301 3.057 3.428 . 0 0 "[ . 1 . 2]" 1
629 1 34 ILE MG 1 60 ARG HB3 . . 3.400 1.999 1.859 2.166 . 0 0 "[ . 1 . 2]" 1
630 1 34 ILE MG 1 60 ARG HD2 . . 5.500 3.019 2.275 4.147 . 0 0 "[ . 1 . 2]" 1
631 1 34 ILE MG 1 60 ARG QD . . 4.810 2.775 2.240 3.137 . 0 0 "[ . 1 . 2]" 1
632 1 34 ILE MG 1 60 ARG HD3 . . 5.500 3.489 2.597 4.259 . 0 0 "[ . 1 . 2]" 1
633 1 34 ILE MG 1 60 ARG HG2 . . 4.970 4.205 3.809 4.752 . 0 0 "[ . 1 . 2]" 1
634 1 34 ILE MG 1 60 ARG QG . . 4.160 3.823 3.492 4.029 . 0 0 "[ . 1 . 2]" 1
635 1 34 ILE MG 1 60 ARG HG3 . . 4.970 4.454 3.721 4.754 . 0 0 "[ . 1 . 2]" 1
636 1 34 ILE MG 1 61 TYR H . . 4.180 3.617 3.301 3.712 . 0 0 "[ . 1 . 2]" 1
637 1 34 ILE MG 1 61 TYR HA . . 3.820 3.157 2.963 3.371 . 0 0 "[ . 1 . 2]" 1
638 1 34 ILE MG 1 61 TYR HB2 . . 5.300 5.033 4.765 5.171 . 0 0 "[ . 1 . 2]" 1
639 1 34 ILE MG 1 62 GLY H . . 3.230 2.173 1.915 2.702 . 0 0 "[ . 1 . 2]" 1
640 1 34 ILE MG 1 62 GLY HA2 . . 4.020 3.335 3.196 3.469 . 0 0 "[ . 1 . 2]" 1
641 1 34 ILE MG 1 62 GLY HA3 . . 3.460 1.951 1.895 1.987 . 0 0 "[ . 1 . 2]" 1
642 1 34 ILE MG 1 63 LEU H . . 4.530 3.774 3.578 4.002 . 0 0 "[ . 1 . 2]" 1
643 1 34 ILE MG 1 64 PHE HB3 . . 4.950 4.334 3.979 4.732 . 0 0 "[ . 1 . 2]" 1
644 1 35 SER H 1 35 SER HB2 . . 3.980 3.382 2.631 3.791 . 0 0 "[ . 1 . 2]" 1
645 1 35 SER H 1 35 SER QB . . 3.130 2.757 2.383 2.909 . 0 0 "[ . 1 . 2]" 1
646 1 35 SER H 1 35 SER HB3 . . 3.980 3.188 2.473 3.822 . 0 0 "[ . 1 . 2]" 1
647 1 35 SER H 1 36 PHE H . . 4.780 4.396 4.303 4.518 . 0 0 "[ . 1 . 2]" 1
648 1 35 SER H 1 60 ARG QD . . 4.470 3.658 3.247 4.472 0.002 7 0 "[ . 1 . 2]" 1
649 1 35 SER HA 1 36 PHE H . . 2.760 2.170 2.139 2.403 . 0 0 "[ . 1 . 2]" 1
650 1 35 SER HA 1 36 PHE QD . . 4.900 4.235 4.024 4.338 . 0 0 "[ . 1 . 2]" 1
651 1 35 SER QB 1 36 PHE H . . 3.290 3.185 2.955 3.301 0.011 13 0 "[ . 1 . 2]" 1
652 1 36 PHE H 1 36 PHE QD . . 3.820 2.855 2.648 3.152 . 0 0 "[ . 1 . 2]" 1
653 1 36 PHE H 1 36 PHE QE . . 5.130 4.023 3.909 4.413 . 0 0 "[ . 1 . 2]" 1
654 1 36 PHE HB2 1 37 ASP H . . 3.610 2.689 2.374 2.943 . 0 0 "[ . 1 . 2]" 1
655 1 36 PHE HB2 1 40 ASP H . . 5.150 4.968 4.797 5.161 0.011 19 0 "[ . 1 . 2]" 1
656 1 36 PHE HB2 1 40 ASP HB2 . . 4.080 3.248 2.972 3.887 . 0 0 "[ . 1 . 2]" 1
657 1 36 PHE HB2 1 40 ASP QB . . 3.430 2.935 2.807 3.194 . 0 0 "[ . 1 . 2]" 1
658 1 36 PHE HB2 1 40 ASP HB3 . . 4.080 3.484 2.994 3.790 . 0 0 "[ . 1 . 2]" 1
659 1 36 PHE HB2 1 42 ILE MD . . 4.650 3.508 3.044 3.914 . 0 0 "[ . 1 . 2]" 1
660 1 36 PHE HB3 1 37 ASP H . . 3.960 3.590 3.361 3.744 . 0 0 "[ . 1 . 2]" 1
661 1 36 PHE HB3 1 40 ASP HB2 . . 4.840 4.705 4.441 4.861 0.021 6 0 "[ . 1 . 2]" 1
662 1 36 PHE HB3 1 40 ASP HB3 . . 4.840 4.562 4.198 4.845 0.005 8 0 "[ . 1 . 2]" 1
663 1 36 PHE HB3 1 42 ILE MD . . 4.760 3.928 3.620 4.315 . 0 0 "[ . 1 . 2]" 1
664 1 36 PHE QD 1 37 ASP H . . 4.420 4.078 3.833 4.267 . 0 0 "[ . 1 . 2]" 1
665 1 36 PHE QD 1 40 ASP QB . . 5.270 4.269 4.124 4.670 . 0 0 "[ . 1 . 2]" 1
666 1 36 PHE QD 1 42 ILE MD . . 3.770 3.636 3.423 3.773 0.003 13 0 "[ . 1 . 2]" 1
667 1 36 PHE QD 1 42 ILE HG12 . . 4.030 3.589 3.329 3.746 . 0 0 "[ . 1 . 2]" 1
668 1 36 PHE QD 1 42 ILE HG13 . . 4.530 4.299 4.116 4.438 . 0 0 "[ . 1 . 2]" 1
669 1 36 PHE QD 1 42 ILE MG . . 4.900 4.643 4.407 4.852 . 0 0 "[ . 1 . 2]" 1
670 1 36 PHE QD 1 57 CYS HB2 . . 4.580 3.415 3.054 3.789 . 0 0 "[ . 1 . 2]" 1
671 1 36 PHE QD 1 57 CYS HB3 . . 4.120 3.215 2.930 3.448 . 0 0 "[ . 1 . 2]" 1
672 1 36 PHE QD 1 69 VAL MG1 . . 4.520 4.004 3.871 4.153 . 0 0 "[ . 1 . 2]" 1
673 1 36 PHE QE 1 42 ILE MD . . 4.300 4.169 3.964 4.255 . 0 0 "[ . 1 . 2]" 1
674 1 36 PHE QE 1 42 ILE HG12 . . 4.830 4.214 4.054 4.373 . 0 0 "[ . 1 . 2]" 1
675 1 36 PHE QE 1 42 ILE MG . . 4.870 4.818 4.627 4.873 0.003 20 0 "[ . 1 . 2]" 1
676 1 36 PHE QE 1 64 PHE HB2 . . 3.550 2.463 2.283 2.690 . 0 0 "[ . 1 . 2]" 1
677 1 36 PHE QE 1 64 PHE HB3 . . 3.790 2.585 2.368 2.793 . 0 0 "[ . 1 . 2]" 1
678 1 36 PHE QE 1 65 PRO HD2 . . 4.620 4.060 3.927 4.092 . 0 0 "[ . 1 . 2]" 1
679 1 36 PHE QE 1 65 PRO HD3 . . 5.500 5.478 5.357 5.506 0.006 5 0 "[ . 1 . 2]" 1
680 1 36 PHE QE 1 65 PRO HG2 . . 5.030 4.455 4.352 4.653 . 0 0 "[ . 1 . 2]" 1
681 1 36 PHE QE 1 68 TYR HB2 . . 4.010 3.476 3.313 3.653 . 0 0 "[ . 1 . 2]" 1
682 1 36 PHE QE 1 68 TYR HB3 . . 3.500 2.914 2.712 3.110 . 0 0 "[ . 1 . 2]" 1
683 1 36 PHE QE 1 69 VAL MG1 . . 3.680 3.013 2.849 3.186 . 0 0 "[ . 1 . 2]" 1
684 1 36 PHE QE 1 69 VAL MG2 . . 5.010 4.796 4.549 4.985 . 0 0 "[ . 1 . 2]" 1
685 1 36 PHE HZ 1 42 ILE MD . . 5.060 5.008 4.730 5.063 0.003 18 0 "[ . 1 . 2]" 1
686 1 36 PHE HZ 1 64 PHE HB2 . . 3.790 2.192 2.025 2.417 . 0 0 "[ . 1 . 2]" 1
687 1 36 PHE HZ 1 64 PHE HB3 . . 4.430 3.651 3.477 3.873 . 0 0 "[ . 1 . 2]" 1
688 1 36 PHE HZ 1 64 PHE QD . . 3.500 3.117 2.630 3.447 . 0 0 "[ . 1 . 2]" 1
689 1 36 PHE HZ 1 65 PRO HD2 . . 4.010 2.999 2.896 3.077 . 0 0 "[ . 1 . 2]" 1
690 1 36 PHE HZ 1 65 PRO HD3 . . 4.980 4.770 4.664 4.852 . 0 0 "[ . 1 . 2]" 1
691 1 36 PHE HZ 1 65 PRO HG2 . . 5.500 3.795 3.560 3.906 . 0 0 "[ . 1 . 2]" 1
692 1 36 PHE HZ 1 68 TYR H . . 5.500 5.345 5.192 5.454 . 0 0 "[ . 1 . 2]" 1
693 1 36 PHE HZ 1 68 TYR HB2 . . 3.860 3.768 3.451 3.865 0.005 6 0 "[ . 1 . 2]" 1
694 1 36 PHE HZ 1 68 TYR HB3 . . 4.460 4.288 3.767 4.463 0.003 6 0 "[ . 1 . 2]" 1
695 1 36 PHE HZ 1 69 VAL MG1 . . 3.410 2.914 2.700 3.126 . 0 0 "[ . 1 . 2]" 1
696 1 37 ASP H 1 37 ASP QB . . 3.490 2.440 2.152 2.968 . 0 0 "[ . 1 . 2]" 1
697 1 37 ASP H 1 40 ASP HB2 . . 4.600 3.548 2.942 3.955 . 0 0 "[ . 1 . 2]" 1
698 1 37 ASP H 1 40 ASP QB . . 3.940 3.337 2.835 3.713 . 0 0 "[ . 1 . 2]" 1
699 1 37 ASP H 1 40 ASP HB3 . . 4.600 4.151 3.140 4.526 . 0 0 "[ . 1 . 2]" 1
700 1 37 ASP HA 1 38 PRO HD2 . . 3.520 2.525 2.442 2.545 . 0 0 "[ . 1 . 2]" 1
701 1 37 ASP HA 1 38 PRO HD3 . . 3.260 2.355 2.314 2.365 . 0 0 "[ . 1 . 2]" 1
702 1 37 ASP QB 1 38 PRO HD2 . . 3.130 1.969 1.928 1.992 . 0 0 "[ . 1 . 2]" 1
703 1 37 ASP QB 1 38 PRO HD3 . . 3.760 3.293 3.160 3.362 . 0 0 "[ . 1 . 2]" 1
704 1 37 ASP HB2 1 38 PRO HD2 . . 3.930 3.020 1.978 3.602 . 0 0 "[ . 1 . 2]" 1
705 1 37 ASP HB3 1 38 PRO HD2 . . 3.930 2.239 1.983 2.723 . 0 0 "[ . 1 . 2]" 1
706 1 38 PRO HA 1 39 ASP H . . 2.820 2.178 2.155 2.278 . 0 0 "[ . 1 . 2]" 1
707 1 38 PRO HA 1 40 ASP H . . 4.340 3.538 3.404 3.748 . 0 0 "[ . 1 . 2]" 1
708 1 38 PRO QB 1 39 ASP H . . 3.870 3.173 2.831 3.301 . 0 0 "[ . 1 . 2]" 1
709 1 39 ASP H 1 40 ASP H . . 4.070 2.502 2.454 2.786 . 0 0 "[ . 1 . 2]" 1
710 1 39 ASP HA 1 41 ILE MD . . 5.500 4.904 4.259 5.064 . 0 0 "[ . 1 . 2]" 1
711 1 39 ASP QB 1 40 ASP H . . 4.460 3.803 3.743 3.979 . 0 0 "[ . 1 . 2]" 1
712 1 39 ASP HB2 1 40 ASP H . . 5.130 4.239 4.049 4.551 . 0 0 "[ . 1 . 2]" 1
713 1 39 ASP HB3 1 40 ASP H . . 5.130 4.376 4.028 4.666 . 0 0 "[ . 1 . 2]" 1
714 1 40 ASP H 1 40 ASP HB2 . . 4.000 2.405 2.224 3.624 . 0 0 "[ . 1 . 2]" 1
715 1 40 ASP H 1 40 ASP QB . . 3.330 2.279 2.200 2.418 . 0 0 "[ . 1 . 2]" 1
716 1 40 ASP H 1 40 ASP HB3 . . 4.000 3.227 2.455 3.613 . 0 0 "[ . 1 . 2]" 1
717 1 40 ASP H 1 41 ILE H . . 4.720 4.529 4.465 4.587 . 0 0 "[ . 1 . 2]" 1
718 1 40 ASP HA 1 41 ILE H . . 2.690 2.497 2.180 2.547 . 0 0 "[ . 1 . 2]" 1
719 1 40 ASP HA 1 41 ILE HB . . 5.010 4.749 4.437 4.908 . 0 0 "[ . 1 . 2]" 1
720 1 40 ASP HA 1 41 ILE QG . . 5.180 3.435 3.203 4.852 . 0 0 "[ . 1 . 2]" 1
721 1 40 ASP QB 1 41 ILE H . . 3.170 2.517 2.129 3.096 . 0 0 "[ . 1 . 2]" 1
722 1 40 ASP QB 1 42 ILE MD . . 4.370 2.807 2.420 3.569 . 0 0 "[ . 1 . 2]" 1
723 1 40 ASP HB2 1 42 ILE MD . . 5.020 3.625 3.115 4.183 . 0 0 "[ . 1 . 2]" 1
724 1 40 ASP HB3 1 42 ILE MD . . 5.020 3.024 2.440 4.228 . 0 0 "[ . 1 . 2]" 1
725 1 41 ILE H 1 41 ILE HB . . 2.890 2.633 2.347 2.725 . 0 0 "[ . 1 . 2]" 1
726 1 41 ILE H 1 41 ILE MD . . 3.630 3.489 2.194 3.631 0.001 6 0 "[ . 1 . 2]" 1
727 1 41 ILE H 1 41 ILE HG12 . . 4.170 2.779 2.452 4.173 0.003 17 0 "[ . 1 . 2]" 1
728 1 41 ILE H 1 41 ILE QG . . 3.540 2.712 2.427 3.535 . 0 0 "[ . 1 . 2]" 1
729 1 41 ILE H 1 41 ILE HG13 . . 4.170 4.065 3.817 4.162 . 0 0 "[ . 1 . 2]" 1
730 1 41 ILE H 1 41 ILE MG . . 4.150 3.847 3.688 3.879 . 0 0 "[ . 1 . 2]" 1
731 1 41 ILE H 1 42 ILE H . . 4.870 4.420 4.376 4.553 . 0 0 "[ . 1 . 2]" 1
732 1 41 ILE HA 1 41 ILE MD . . 3.590 2.084 1.945 2.817 . 0 0 "[ . 1 . 2]" 1
733 1 41 ILE HA 1 41 ILE QG . . 3.720 2.929 2.246 3.019 . 0 0 "[ . 1 . 2]" 1
734 1 41 ILE HA 1 41 ILE MG . . 3.310 2.321 2.210 2.525 . 0 0 "[ . 1 . 2]" 1
735 1 41 ILE HA 1 42 ILE H . . 2.800 2.169 2.158 2.209 . 0 0 "[ . 1 . 2]" 1
736 1 41 ILE HA 1 42 ILE MD . . 3.950 3.037 2.773 3.242 . 0 0 "[ . 1 . 2]" 1
737 1 41 ILE HB 1 41 ILE MD . . 3.740 3.186 2.366 3.231 . 0 0 "[ . 1 . 2]" 1
738 1 41 ILE HB 1 42 ILE H . . 4.280 4.087 3.953 4.148 . 0 0 "[ . 1 . 2]" 1
739 1 41 ILE HB 1 43 THR MG . . 4.690 4.559 4.416 4.693 0.003 17 0 "[ . 1 . 2]" 1
740 1 41 ILE MD 1 42 ILE H . . 4.670 3.701 3.504 4.629 . 0 0 "[ . 1 . 2]" 1
741 1 41 ILE QG 1 42 ILE H . . 5.020 4.585 3.725 4.668 . 0 0 "[ . 1 . 2]" 1
742 1 41 ILE HG12 1 41 ILE MG . . 3.500 3.144 2.221 3.202 . 0 0 "[ . 1 . 2]" 1
743 1 41 ILE HG13 1 41 ILE MG . . 3.500 2.315 2.220 2.540 . 0 0 "[ . 1 . 2]" 1
744 1 41 ILE MG 1 42 ILE H . . 3.080 2.385 2.123 2.583 . 0 0 "[ . 1 . 2]" 1
745 1 41 ILE MG 1 43 THR H . . 5.080 4.545 4.368 4.672 . 0 0 "[ . 1 . 2]" 1
746 1 41 ILE MG 1 43 THR HA . . 4.880 4.608 4.219 4.783 . 0 0 "[ . 1 . 2]" 1
747 1 41 ILE MG 1 43 THR MG . . 2.900 2.730 2.622 2.898 . 0 0 "[ . 1 . 2]" 1
748 1 41 ILE MG 1 72 ARG QD . . 4.370 3.782 2.801 4.337 . 0 0 "[ . 1 . 2]" 1
749 1 42 ILE H 1 42 ILE HB . . 3.090 2.615 2.546 2.667 . 0 0 "[ . 1 . 2]" 1
750 1 42 ILE H 1 42 ILE MD . . 3.420 2.603 2.352 2.776 . 0 0 "[ . 1 . 2]" 1
751 1 42 ILE H 1 42 ILE HG12 . . 4.700 4.474 4.328 4.558 . 0 0 "[ . 1 . 2]" 1
752 1 42 ILE H 1 42 ILE HG13 . . 4.380 3.697 3.529 3.813 . 0 0 "[ . 1 . 2]" 1
753 1 42 ILE H 1 42 ILE MG . . 4.200 3.815 3.765 3.845 . 0 0 "[ . 1 . 2]" 1
754 1 42 ILE H 1 43 THR MG . . 4.860 4.086 3.842 4.402 . 0 0 "[ . 1 . 2]" 1
755 1 42 ILE HA 1 42 ILE MD . . 4.440 3.293 3.223 3.376 . 0 0 "[ . 1 . 2]" 1
756 1 42 ILE HA 1 43 THR H . . 2.770 2.240 2.189 2.298 . 0 0 "[ . 1 . 2]" 1
757 1 42 ILE HB 1 42 ILE MD . . 3.680 2.133 2.085 2.273 . 0 0 "[ . 1 . 2]" 1
758 1 42 ILE HB 1 45 ILE MD . . 3.540 2.585 1.983 3.251 . 0 0 "[ . 1 . 2]" 1
759 1 42 ILE HB 1 45 ILE HG13 . . 4.970 3.833 3.330 4.203 . 0 0 "[ . 1 . 2]" 1
760 1 42 ILE MD 1 42 ILE MG . . 3.470 3.139 3.127 3.160 . 0 0 "[ . 1 . 2]" 1
761 1 42 ILE MD 1 43 THR H . . 5.150 4.890 4.824 4.984 . 0 0 "[ . 1 . 2]" 1
762 1 42 ILE MD 1 57 CYS HB2 . . 4.760 3.682 3.393 4.041 . 0 0 "[ . 1 . 2]" 1
763 1 42 ILE MD 1 57 CYS HB3 . . 4.910 4.196 3.897 4.774 . 0 0 "[ . 1 . 2]" 1
764 1 42 ILE MD 1 69 VAL HB . . 4.020 3.768 3.486 3.949 . 0 0 "[ . 1 . 2]" 1
765 1 42 ILE MD 1 69 VAL MG1 . . 3.270 2.986 2.491 3.188 . 0 0 "[ . 1 . 2]" 1
766 1 42 ILE HG12 1 42 ILE MG . . 3.260 2.103 1.996 2.211 . 0 0 "[ . 1 . 2]" 1
767 1 42 ILE HG12 1 43 THR H . . 5.020 4.734 4.610 4.933 . 0 0 "[ . 1 . 2]" 1
768 1 42 ILE HG12 1 57 CYS HB2 . . 4.070 3.047 2.139 3.417 . 0 0 "[ . 1 . 2]" 1
769 1 42 ILE HG12 1 57 CYS HB3 . . 4.740 2.932 2.644 3.674 . 0 0 "[ . 1 . 2]" 1
770 1 42 ILE HG13 1 43 THR H . . 4.350 4.101 3.961 4.268 . 0 0 "[ . 1 . 2]" 1
771 1 42 ILE HG13 1 57 CYS HB2 . . 3.850 2.436 2.046 2.793 . 0 0 "[ . 1 . 2]" 1
772 1 42 ILE HG13 1 57 CYS HB3 . . 4.380 3.103 2.826 3.868 . 0 0 "[ . 1 . 2]" 1
773 1 42 ILE MG 1 43 THR H . . 3.190 2.052 1.866 2.282 . 0 0 "[ . 1 . 2]" 1
774 1 42 ILE MG 1 45 ILE MD . . 3.400 2.572 2.238 2.927 . 0 0 "[ . 1 . 2]" 1
775 1 42 ILE MG 1 45 ILE HG12 . . 3.460 2.270 1.964 2.562 . 0 0 "[ . 1 . 2]" 1
776 1 42 ILE MG 1 45 ILE HG13 . . 3.600 2.252 1.977 2.636 . 0 0 "[ . 1 . 2]" 1
777 1 42 ILE MG 1 55 GLY H . . 4.370 4.237 3.899 4.374 0.004 10 0 "[ . 1 . 2]" 1
778 1 42 ILE MG 1 55 GLY HA2 . . 4.220 3.993 3.820 4.223 0.003 19 0 "[ . 1 . 2]" 1
779 1 42 ILE MG 1 55 GLY HA3 . . 3.570 2.732 2.552 2.911 . 0 0 "[ . 1 . 2]" 1
780 1 42 ILE MG 1 56 VAL H . . 3.570 3.331 3.126 3.540 . 0 0 "[ . 1 . 2]" 1
781 1 42 ILE MG 1 56 VAL HB . . 4.790 4.473 4.320 4.569 . 0 0 "[ . 1 . 2]" 1
782 1 42 ILE MG 1 57 CYS H . . 5.420 4.042 3.727 4.261 . 0 0 "[ . 1 . 2]" 1
783 1 42 ILE MG 1 57 CYS HB2 . . 3.980 3.476 2.300 3.836 . 0 0 "[ . 1 . 2]" 1
784 1 42 ILE MG 1 57 CYS HB3 . . 4.630 2.918 2.409 3.656 . 0 0 "[ . 1 . 2]" 1
785 1 42 ILE MG 1 64 PHE HZ . . 3.910 3.752 3.554 3.915 0.005 18 0 "[ . 1 . 2]" 1
786 1 43 THR H 1 43 THR HG1 . . 4.270 2.947 2.500 3.393 . 0 0 "[ . 1 . 2]" 1
787 1 43 THR H 1 43 THR MG . . 3.210 2.881 2.651 3.005 . 0 0 "[ . 1 . 2]" 1
788 1 43 THR H 1 45 ILE MD . . 5.500 4.754 4.385 5.033 . 0 0 "[ . 1 . 2]" 1
789 1 43 THR H 1 55 GLY HA3 . . 5.030 4.929 4.743 5.055 0.025 13 0 "[ . 1 . 2]" 1
790 1 43 THR H 1 56 VAL H . . 4.230 3.991 3.838 4.120 . 0 0 "[ . 1 . 2]" 1
791 1 43 THR H 1 56 VAL HA . . 5.500 5.471 5.338 5.504 0.004 3 0 "[ . 1 . 2]" 1
792 1 43 THR H 1 56 VAL HB . . 4.210 4.167 4.002 4.216 0.006 17 0 "[ . 1 . 2]" 1
793 1 43 THR H 1 56 VAL MG1 . . 4.810 4.726 4.498 4.814 0.004 9 0 "[ . 1 . 2]" 1
794 1 43 THR H 1 57 CYS HB2 . . 5.340 5.045 4.068 5.343 0.003 8 0 "[ . 1 . 2]" 1
795 1 43 THR H 1 57 CYS HB3 . . 5.500 4.954 4.517 5.503 0.003 15 0 "[ . 1 . 2]" 1
796 1 43 THR HA 1 43 THR MG . . 3.390 2.386 2.299 2.478 . 0 0 "[ . 1 . 2]" 1
797 1 43 THR HA 1 44 ASN H . . 3.040 2.409 2.338 2.450 . 0 0 "[ . 1 . 2]" 1
798 1 43 THR HA 1 45 ILE H . . 4.250 3.634 3.410 3.793 . 0 0 "[ . 1 . 2]" 1
799 1 43 THR HA 1 45 ILE MD . . 4.850 3.967 3.846 4.126 . 0 0 "[ . 1 . 2]" 1
800 1 43 THR HB 1 44 ASN H . . 2.870 2.393 2.287 2.568 . 0 0 "[ . 1 . 2]" 1
801 1 43 THR HB 1 44 ASN HA . . 4.660 4.348 4.254 4.472 . 0 0 "[ . 1 . 2]" 1
802 1 43 THR HG1 1 44 ASN H . . 3.850 3.532 3.358 3.753 . 0 0 "[ . 1 . 2]" 1
803 1 43 THR HG1 1 56 VAL H . . 4.390 4.095 3.646 4.315 . 0 0 "[ . 1 . 2]" 1
804 1 43 THR HG1 1 56 VAL HB . . 4.080 2.953 2.561 3.225 . 0 0 "[ . 1 . 2]" 1
805 1 43 THR HG1 1 56 VAL MG1 . . 4.240 3.920 3.688 4.215 . 0 0 "[ . 1 . 2]" 1
806 1 43 THR MG 1 44 ASN H . . 4.220 3.724 3.621 3.845 . 0 0 "[ . 1 . 2]" 1
807 1 44 ASN H 1 44 ASN HA . . 2.800 2.275 2.273 2.277 . 0 0 "[ . 1 . 2]" 1
808 1 44 ASN H 1 44 ASN HD21 . . 4.510 3.151 2.055 3.851 . 0 0 "[ . 1 . 2]" 1
809 1 44 ASN H 1 44 ASN HD22 . . 4.720 3.952 3.748 4.219 . 0 0 "[ . 1 . 2]" 1
810 1 44 ASN H 1 45 ILE H . . 3.400 2.737 2.570 2.865 . 0 0 "[ . 1 . 2]" 1
811 1 44 ASN H 1 45 ILE MD . . 5.500 5.002 4.853 5.183 . 0 0 "[ . 1 . 2]" 1
812 1 44 ASN H 1 45 ILE HG13 . . 4.180 4.085 3.937 4.199 0.019 13 0 "[ . 1 . 2]" 1
813 1 44 ASN HA 1 44 ASN HD21 . . 3.410 2.170 1.931 2.659 . 0 0 "[ . 1 . 2]" 1
814 1 44 ASN HA 1 44 ASN HD22 . . 4.510 3.590 3.403 3.882 . 0 0 "[ . 1 . 2]" 1
815 1 44 ASN HA 1 45 ILE H . . 3.220 2.742 2.655 2.877 . 0 0 "[ . 1 . 2]" 1
816 1 44 ASN QB 1 44 ASN HD21 . . 2.990 2.579 2.311 2.770 . 0 0 "[ . 1 . 2]" 1
817 1 44 ASN QB 1 44 ASN HD22 . . 3.510 3.413 3.326 3.474 . 0 0 "[ . 1 . 2]" 1
818 1 44 ASN QB 1 45 ILE H . . 4.250 3.882 3.831 3.907 . 0 0 "[ . 1 . 2]" 1
819 1 44 ASN QB 1 56 VAL H . . 3.740 2.395 1.907 2.642 . 0 0 "[ . 1 . 2]" 1
820 1 44 ASN QB 1 56 VAL HB . . 4.080 2.618 2.227 2.955 . 0 0 "[ . 1 . 2]" 1
821 1 44 ASN QB 1 56 VAL MG1 . . 4.460 4.017 3.676 4.259 . 0 0 "[ . 1 . 2]" 1
822 1 44 ASN QB 1 56 VAL MG2 . . 3.180 2.275 2.075 2.511 . 0 0 "[ . 1 . 2]" 1
823 1 44 ASN HB2 1 45 ILE H . . 4.850 4.280 4.136 4.362 . 0 0 "[ . 1 . 2]" 1
824 1 44 ASN HB2 1 56 VAL H . . 4.430 2.433 1.915 2.694 . 0 0 "[ . 1 . 2]" 1
825 1 44 ASN HB2 1 56 VAL HB . . 4.910 2.648 2.257 2.992 . 0 0 "[ . 1 . 2]" 1
826 1 44 ASN HB2 1 56 VAL MG2 . . 3.930 2.392 2.148 2.665 . 0 0 "[ . 1 . 2]" 1
827 1 44 ASN HB3 1 45 ILE H . . 4.850 4.450 4.344 4.525 . 0 0 "[ . 1 . 2]" 1
828 1 44 ASN HB3 1 56 VAL H . . 4.430 3.752 2.937 4.168 . 0 0 "[ . 1 . 2]" 1
829 1 44 ASN HB3 1 56 VAL HB . . 4.910 4.128 3.412 4.589 . 0 0 "[ . 1 . 2]" 1
830 1 44 ASN HB3 1 56 VAL MG2 . . 3.930 2.938 2.447 3.281 . 0 0 "[ . 1 . 2]" 1
831 1 45 ILE H 1 45 ILE HB . . 2.830 2.416 2.382 2.484 . 0 0 "[ . 1 . 2]" 1
832 1 45 ILE H 1 45 ILE MD . . 3.750 3.609 3.494 3.722 . 0 0 "[ . 1 . 2]" 1
833 1 45 ILE H 1 45 ILE HG12 . . 3.820 3.723 3.546 3.825 0.005 20 0 "[ . 1 . 2]" 1
834 1 45 ILE H 1 45 ILE HG13 . . 2.830 2.432 2.298 2.571 . 0 0 "[ . 1 . 2]" 1
835 1 45 ILE H 1 45 ILE MG . . 3.860 3.744 3.732 3.767 . 0 0 "[ . 1 . 2]" 1
836 1 45 ILE H 1 46 GLU H . . 4.750 4.521 4.336 4.626 . 0 0 "[ . 1 . 2]" 1
837 1 45 ILE HA 1 46 GLU H . . 2.730 2.193 2.142 2.305 . 0 0 "[ . 1 . 2]" 1
838 1 45 ILE HA 1 55 GLY HA2 . . 4.250 2.604 2.286 2.872 . 0 0 "[ . 1 . 2]" 1
839 1 45 ILE HA 1 55 GLY HA3 . . 4.150 2.425 2.113 2.610 . 0 0 "[ . 1 . 2]" 1
840 1 45 ILE HB 1 45 ILE MD . . 3.380 2.368 2.237 2.474 . 0 0 "[ . 1 . 2]" 1
841 1 45 ILE HB 1 46 GLU H . . 4.600 4.171 3.841 4.439 . 0 0 "[ . 1 . 2]" 1
842 1 45 ILE MD 1 45 ILE MG . . 3.090 2.004 1.935 2.252 . 0 0 "[ . 1 . 2]" 1
843 1 45 ILE MD 1 46 GLU H . . 5.500 5.018 4.661 5.337 . 0 0 "[ . 1 . 2]" 1
844 1 45 ILE MD 1 53 TRP HB2 . . 5.380 4.806 4.465 5.266 . 0 0 "[ . 1 . 2]" 1
845 1 45 ILE MD 1 53 TRP HB3 . . 5.200 4.813 4.501 5.143 . 0 0 "[ . 1 . 2]" 1
846 1 45 ILE MD 1 53 TRP HE3 . . 3.770 3.535 3.309 3.772 0.002 14 0 "[ . 1 . 2]" 1
847 1 45 ILE MD 1 53 TRP HZ3 . . 4.380 4.114 3.647 4.381 0.001 18 0 "[ . 1 . 2]" 1
848 1 45 ILE MD 1 55 GLY HA3 . . 5.040 4.436 4.164 4.724 . 0 0 "[ . 1 . 2]" 1
849 1 45 ILE MD 1 64 PHE HZ . . 3.550 3.044 2.608 3.551 0.001 20 0 "[ . 1 . 2]" 1
850 1 45 ILE MD 1 71 LEU HG . . 5.500 4.852 4.235 5.378 . 0 0 "[ . 1 . 2]" 1
851 1 45 ILE HG12 1 45 ILE MG . . 3.530 2.318 2.252 2.384 . 0 0 "[ . 1 . 2]" 1
852 1 45 ILE HG12 1 46 GLU H . . 4.530 4.220 3.981 4.497 . 0 0 "[ . 1 . 2]" 1
853 1 45 ILE HG12 1 55 GLY H . . 5.500 4.853 4.514 5.215 . 0 0 "[ . 1 . 2]" 1
854 1 45 ILE HG12 1 55 GLY HA2 . . 5.010 4.263 3.879 4.651 . 0 0 "[ . 1 . 2]" 1
855 1 45 ILE HG12 1 55 GLY HA3 . . 4.500 2.913 2.579 3.266 . 0 0 "[ . 1 . 2]" 1
856 1 45 ILE HG12 1 56 VAL H . . 5.190 4.964 4.666 5.197 0.007 19 0 "[ . 1 . 2]" 1
857 1 45 ILE HG12 1 64 PHE HZ . . 3.880 2.717 2.280 2.964 . 0 0 "[ . 1 . 2]" 1
858 1 45 ILE HG13 1 46 GLU H . . 5.120 4.877 4.757 5.028 . 0 0 "[ . 1 . 2]" 1
859 1 45 ILE HG13 1 55 GLY HA3 . . 4.670 3.606 3.298 3.810 . 0 0 "[ . 1 . 2]" 1
860 1 45 ILE HG13 1 56 VAL H . . 4.790 4.720 4.486 4.811 0.021 20 0 "[ . 1 . 2]" 1
861 1 45 ILE HG13 1 64 PHE HZ . . 4.650 4.432 3.999 4.652 0.002 18 0 "[ . 1 . 2]" 1
862 1 45 ILE MG 1 46 GLU H . . 3.250 2.372 1.981 2.892 . 0 0 "[ . 1 . 2]" 1
863 1 45 ILE MG 1 46 GLU HA . . 4.530 3.572 3.257 3.925 . 0 0 "[ . 1 . 2]" 1
864 1 45 ILE MG 1 47 MET H . . 4.590 3.843 3.087 4.312 . 0 0 "[ . 1 . 2]" 1
865 1 45 ILE MG 1 47 MET HA . . 4.550 3.869 3.624 4.028 . 0 0 "[ . 1 . 2]" 1
866 1 45 ILE MG 1 47 MET ME . . 3.750 3.499 3.044 3.750 0.000 6 0 "[ . 1 . 2]" 1
867 1 45 ILE MG 1 47 MET HG2 . . 4.030 3.457 3.103 4.074 0.044 13 0 "[ . 1 . 2]" 1
868 1 45 ILE MG 1 47 MET HG3 . . 4.030 3.549 2.828 3.902 . 0 0 "[ . 1 . 2]" 1
869 1 45 ILE MG 1 48 ILE H . . 5.260 5.151 4.784 5.273 0.013 12 0 "[ . 1 . 2]" 1
870 1 45 ILE MG 1 53 TRP HA . . 4.840 4.440 4.151 4.769 . 0 0 "[ . 1 . 2]" 1
871 1 45 ILE MG 1 53 TRP HB2 . . 3.890 3.167 2.854 3.500 . 0 0 "[ . 1 . 2]" 1
872 1 45 ILE MG 1 53 TRP HB3 . . 3.510 2.398 2.135 2.698 . 0 0 "[ . 1 . 2]" 1
873 1 45 ILE MG 1 53 TRP HE3 . . 3.520 2.796 2.310 3.147 . 0 0 "[ . 1 . 2]" 1
874 1 45 ILE MG 1 53 TRP HZ3 . . 4.420 4.090 3.355 4.400 . 0 0 "[ . 1 . 2]" 1
875 1 45 ILE MG 1 54 ARG H . . 3.860 3.481 3.140 3.858 . 0 0 "[ . 1 . 2]" 1
876 1 45 ILE MG 1 55 GLY HA2 . . 5.340 4.405 4.071 4.678 . 0 0 "[ . 1 . 2]" 1
877 1 45 ILE MG 1 64 PHE HZ . . 3.660 2.278 1.975 2.563 . 0 0 "[ . 1 . 2]" 1
878 1 45 ILE MG 1 69 VAL MG2 . . 5.420 4.406 4.121 4.685 . 0 0 "[ . 1 . 2]" 1
879 1 46 GLU H 1 46 GLU HB2 . . 3.440 2.454 2.246 2.599 . 0 0 "[ . 1 . 2]" 1
880 1 46 GLU H 1 46 GLU HB3 . . 4.130 3.454 2.854 3.730 . 0 0 "[ . 1 . 2]" 1
881 1 46 GLU H 1 46 GLU HG2 . . 4.720 4.095 3.083 4.705 . 0 0 "[ . 1 . 2]" 1
882 1 46 GLU H 1 46 GLU QG . . 3.990 3.641 2.980 4.082 0.092 19 0 "[ . 1 . 2]" 1
883 1 46 GLU H 1 46 GLU HG3 . . 4.720 4.237 3.407 4.694 . 0 0 "[ . 1 . 2]" 1
884 1 46 GLU H 1 48 ILE MD . . 5.500 4.979 4.014 5.316 . 0 0 "[ . 1 . 2]" 1
885 1 46 GLU H 1 53 TRP HB3 . . 4.660 3.465 2.939 4.060 . 0 0 "[ . 1 . 2]" 1
886 1 46 GLU H 1 54 ARG H . . 3.420 2.833 2.500 3.351 . 0 0 "[ . 1 . 2]" 1
887 1 46 GLU H 1 54 ARG HB2 . . 5.050 4.010 3.780 4.251 . 0 0 "[ . 1 . 2]" 1
888 1 46 GLU H 1 54 ARG HB3 . . 4.700 4.508 4.371 4.616 . 0 0 "[ . 1 . 2]" 1
889 1 46 GLU H 1 55 GLY HA2 . . 4.350 3.371 3.005 3.730 . 0 0 "[ . 1 . 2]" 1
890 1 46 GLU H 1 55 GLY HA3 . . 4.700 3.790 3.392 4.101 . 0 0 "[ . 1 . 2]" 1
891 1 46 GLU HA 1 46 GLU HG2 . . 4.200 2.823 2.155 3.641 . 0 0 "[ . 1 . 2]" 1
892 1 46 GLU HA 1 46 GLU QG . . 3.630 2.383 2.119 2.853 . 0 0 "[ . 1 . 2]" 1
893 1 46 GLU HA 1 46 GLU HG3 . . 4.200 3.029 2.228 3.677 . 0 0 "[ . 1 . 2]" 1
894 1 46 GLU HA 1 47 MET H . . 2.910 2.173 2.147 2.197 . 0 0 "[ . 1 . 2]" 1
895 1 46 GLU HB2 1 47 MET H . . 5.130 4.429 4.249 4.593 . 0 0 "[ . 1 . 2]" 1
896 1 46 GLU HB2 1 48 ILE MD . . 4.320 3.675 3.172 4.338 0.018 19 0 "[ . 1 . 2]" 1
897 1 46 GLU HB2 1 48 ILE QG . . 4.960 4.032 3.527 4.463 . 0 0 "[ . 1 . 2]" 1
898 1 46 GLU HB2 1 54 ARG H . . 4.650 3.453 2.818 4.108 . 0 0 "[ . 1 . 2]" 1
899 1 46 GLU HB2 1 54 ARG HB2 . . 4.040 2.988 2.183 3.877 . 0 0 "[ . 1 . 2]" 1
900 1 46 GLU HB2 1 54 ARG HB3 . . 4.090 3.642 3.301 4.098 0.008 19 0 "[ . 1 . 2]" 1
901 1 46 GLU HB3 1 47 MET H . . 4.340 3.611 3.128 3.929 . 0 0 "[ . 1 . 2]" 1
902 1 46 GLU HB3 1 48 ILE H . . 5.350 4.656 4.516 4.891 . 0 0 "[ . 1 . 2]" 1
903 1 46 GLU HB3 1 48 ILE MD . . 4.060 3.099 2.573 3.500 . 0 0 "[ . 1 . 2]" 1
904 1 46 GLU HB3 1 48 ILE QG . . 4.830 3.149 2.758 3.919 . 0 0 "[ . 1 . 2]" 1
905 1 46 GLU HB3 1 48 ILE MG . . 5.500 5.473 5.266 5.556 0.056 20 0 "[ . 1 . 2]" 1
906 1 46 GLU HB3 1 54 ARG HB2 . . 4.480 3.383 2.588 4.000 . 0 0 "[ . 1 . 2]" 1
907 1 46 GLU HB3 1 54 ARG HB3 . . 5.200 4.557 3.655 5.160 . 0 0 "[ . 1 . 2]" 1
908 1 46 GLU QG 1 47 MET H . . 4.670 3.847 2.600 4.649 . 0 0 "[ . 1 . 2]" 1
909 1 47 MET H 1 47 MET HB2 . . 3.440 2.494 2.419 2.586 . 0 0 "[ . 1 . 2]" 1
910 1 47 MET H 1 47 MET HG2 . . 4.240 3.421 2.799 3.816 . 0 0 "[ . 1 . 2]" 1
911 1 47 MET H 1 47 MET QG . . 3.380 2.475 2.179 2.829 . 0 0 "[ . 1 . 2]" 1
912 1 47 MET H 1 47 MET HG3 . . 4.240 2.543 2.198 2.916 . 0 0 "[ . 1 . 2]" 1
913 1 47 MET H 1 48 ILE H . . 4.560 4.247 4.192 4.308 . 0 0 "[ . 1 . 2]" 1
914 1 47 MET H 1 48 ILE MD . . 5.500 5.266 4.539 5.540 0.040 8 0 "[ . 1 . 2]" 1
915 1 47 MET HA 1 47 MET HG2 . . 4.170 2.559 2.364 3.544 . 0 0 "[ . 1 . 2]" 1
916 1 47 MET HA 1 47 MET QG . . 3.490 2.378 2.315 2.497 . 0 0 "[ . 1 . 2]" 1
917 1 47 MET HA 1 47 MET HG3 . . 4.170 3.174 2.384 3.438 . 0 0 "[ . 1 . 2]" 1
918 1 47 MET HA 1 48 ILE H . . 2.860 2.181 2.177 2.183 . 0 0 "[ . 1 . 2]" 1
919 1 47 MET HA 1 48 ILE HB . . 5.030 4.685 4.639 4.777 . 0 0 "[ . 1 . 2]" 1
920 1 47 MET HA 1 49 ASP H . . 4.940 4.277 4.241 4.309 . 0 0 "[ . 1 . 2]" 1
921 1 47 MET HA 1 53 TRP HA . . 4.100 3.416 2.753 3.777 . 0 0 "[ . 1 . 2]" 1
922 1 47 MET HA 1 53 TRP HB3 . . 4.860 3.367 2.765 3.770 . 0 0 "[ . 1 . 2]" 1
923 1 47 MET HA 1 53 TRP HD1 . . 3.310 2.349 2.021 2.570 . 0 0 "[ . 1 . 2]" 1
924 1 47 MET HA 1 53 TRP HE1 . . 4.030 3.416 3.196 3.583 . 0 0 "[ . 1 . 2]" 1
925 1 47 MET HA 1 54 ARG H . . 4.520 4.103 3.502 4.410 . 0 0 "[ . 1 . 2]" 1
926 1 47 MET HB2 1 48 ILE H . . 4.460 4.436 4.415 4.463 0.003 17 0 "[ . 1 . 2]" 1
927 1 47 MET HB2 1 53 TRP HE1 . . 5.130 4.965 4.390 5.134 0.004 5 0 "[ . 1 . 2]" 1
928 1 47 MET HB3 1 48 ILE H . . 5.020 3.823 3.807 3.831 . 0 0 "[ . 1 . 2]" 1
929 1 47 MET HB3 1 49 ASP H . . 5.490 5.140 4.659 5.404 . 0 0 "[ . 1 . 2]" 1
930 1 47 MET HB3 1 53 TRP HD1 . . 4.160 3.895 3.336 4.168 0.008 19 0 "[ . 1 . 2]" 1
931 1 47 MET HB3 1 53 TRP HE1 . . 3.780 3.304 2.652 3.500 . 0 0 "[ . 1 . 2]" 1
932 1 47 MET ME 1 53 TRP HE1 . . 4.990 4.190 3.392 4.998 0.008 20 0 "[ . 1 . 2]" 1
933 1 47 MET ME 1 53 TRP HH2 . . 3.890 3.563 2.940 3.860 . 0 0 "[ . 1 . 2]" 1
934 1 47 MET ME 1 53 TRP HZ2 . . 3.820 3.177 2.405 3.830 0.010 13 0 "[ . 1 . 2]" 1
935 1 47 MET ME 1 53 TRP HZ3 . . 4.550 4.376 3.821 4.552 0.002 14 0 "[ . 1 . 2]" 1
936 1 47 MET ME 1 71 LEU MD1 . . 3.280 2.193 1.789 2.681 . 0 0 "[ . 1 . 2]" 1
937 1 47 MET QG 1 48 ILE H . . 4.880 4.341 4.292 4.378 . 0 0 "[ . 1 . 2]" 1
938 1 47 MET QG 1 53 TRP HD1 . . 4.450 3.920 3.514 4.316 . 0 0 "[ . 1 . 2]" 1
939 1 47 MET QG 1 53 TRP HE1 . . 4.070 3.522 3.151 3.905 . 0 0 "[ . 1 . 2]" 1
940 1 47 MET QG 1 53 TRP HE3 . . 5.340 4.801 3.706 5.199 . 0 0 "[ . 1 . 2]" 1
941 1 47 MET QG 1 53 TRP HZ2 . . 4.350 4.126 3.014 4.357 0.007 7 0 "[ . 1 . 2]" 1
942 1 48 ILE H 1 48 ILE HB . . 3.170 2.528 2.476 2.629 . 0 0 "[ . 1 . 2]" 1
943 1 48 ILE H 1 48 ILE MD . . 3.970 3.529 1.858 3.969 . 0 0 "[ . 1 . 2]" 1
944 1 48 ILE H 1 48 ILE HG12 . . 3.850 3.432 2.224 3.984 0.134 18 0 "[ . 1 . 2]" 1
945 1 48 ILE H 1 48 ILE QG . . 3.090 2.526 2.206 2.998 . 0 0 "[ . 1 . 2]" 1
946 1 48 ILE H 1 48 ILE HG13 . . 3.850 2.991 2.550 3.857 0.007 10 0 "[ . 1 . 2]" 1
947 1 48 ILE H 1 48 ILE MG . . 3.980 3.796 3.770 3.845 . 0 0 "[ . 1 . 2]" 1
948 1 48 ILE H 1 49 ASP H . . 3.290 2.515 2.337 2.738 . 0 0 "[ . 1 . 2]" 1
949 1 48 ILE H 1 49 ASP HA . . 5.240 4.950 4.782 5.144 . 0 0 "[ . 1 . 2]" 1
950 1 48 ILE H 1 53 TRP HA . . 3.200 2.564 1.899 2.967 . 0 0 "[ . 1 . 2]" 1
951 1 48 ILE H 1 53 TRP HB2 . . 5.500 5.110 4.496 5.502 0.002 3 0 "[ . 1 . 2]" 1
952 1 48 ILE H 1 53 TRP HB3 . . 4.480 4.021 3.321 4.453 . 0 0 "[ . 1 . 2]" 1
953 1 48 ILE H 1 53 TRP HD1 . . 3.280 2.112 1.898 2.385 . 0 0 "[ . 1 . 2]" 1
954 1 48 ILE H 1 53 TRP HE1 . . 4.530 4.135 3.804 4.537 0.007 13 0 "[ . 1 . 2]" 1
955 1 48 ILE H 1 54 ARG H . . 4.130 3.816 3.068 4.135 0.005 16 0 "[ . 1 . 2]" 1
956 1 48 ILE HA 1 48 ILE MD . . 3.950 3.269 1.945 3.877 . 0 0 "[ . 1 . 2]" 1
957 1 48 ILE HA 1 48 ILE HG12 . . 4.170 2.801 2.527 3.472 . 0 0 "[ . 1 . 2]" 1
958 1 48 ILE HA 1 48 ILE QG . . 3.620 2.580 2.283 2.996 . 0 0 "[ . 1 . 2]" 1
959 1 48 ILE HA 1 48 ILE HG13 . . 4.170 3.118 2.315 3.730 . 0 0 "[ . 1 . 2]" 1
960 1 48 ILE HA 1 48 ILE MG . . 3.210 2.418 2.382 2.437 . 0 0 "[ . 1 . 2]" 1
961 1 48 ILE HA 1 49 ASP QB . . 5.360 5.107 4.679 5.334 . 0 0 "[ . 1 . 2]" 1
962 1 48 ILE HB 1 48 ILE MD . . 3.700 2.542 2.190 3.230 . 0 0 "[ . 1 . 2]" 1
963 1 48 ILE HB 1 49 ASP H . . 3.620 2.164 2.136 2.201 . 0 0 "[ . 1 . 2]" 1
964 1 48 ILE HB 1 52 TRP H . . 5.500 5.171 4.453 5.506 0.006 6 0 "[ . 1 . 2]" 1
965 1 48 ILE HB 1 52 TRP QB . . 4.570 4.280 3.734 4.583 0.013 16 0 "[ . 1 . 2]" 1
966 1 48 ILE HB 1 53 TRP HA . . 4.500 3.322 2.547 3.747 . 0 0 "[ . 1 . 2]" 1
967 1 48 ILE HB 1 53 TRP HD1 . . 4.300 3.796 3.243 4.165 . 0 0 "[ . 1 . 2]" 1
968 1 48 ILE HB 1 63 LEU MD2 . . 4.620 3.528 3.077 3.920 . 0 0 "[ . 1 . 2]" 1
969 1 48 ILE MD 1 48 ILE MG . . 3.380 2.187 1.935 3.116 . 0 0 "[ . 1 . 2]" 1
970 1 48 ILE MD 1 53 TRP HA . . 4.700 3.864 1.965 4.338 . 0 0 "[ . 1 . 2]" 1
971 1 48 ILE MD 1 53 TRP HD1 . . 5.500 4.901 3.135 5.271 . 0 0 "[ . 1 . 2]" 1
972 1 48 ILE MD 1 54 ARG H . . 4.470 3.527 2.093 3.875 . 0 0 "[ . 1 . 2]" 1
973 1 48 ILE MD 1 54 ARG HA . . 4.830 4.535 3.665 4.856 0.026 13 0 "[ . 1 . 2]" 1
974 1 48 ILE MD 1 54 ARG HB2 . . 3.670 2.187 1.869 2.378 . 0 0 "[ . 1 . 2]" 1
975 1 48 ILE MD 1 54 ARG HB3 . . 4.410 3.496 3.300 3.629 . 0 0 "[ . 1 . 2]" 1
976 1 48 ILE MD 1 54 ARG QD . . 3.960 2.584 1.864 3.643 . 0 0 "[ . 1 . 2]" 1
977 1 48 ILE MD 1 54 ARG HE . . 4.810 3.218 1.784 4.802 . 0 0 "[ . 1 . 2]" 1
978 1 48 ILE MD 1 54 ARG HG3 . . 4.400 2.647 1.865 3.510 . 0 0 "[ . 1 . 2]" 1
979 1 48 ILE MD 1 61 TYR QE . . 4.770 4.320 4.118 4.619 . 0 0 "[ . 1 . 2]" 1
980 1 48 ILE QG 1 49 ASP H . . 4.930 3.896 3.805 4.175 . 0 0 "[ . 1 . 2]" 1
981 1 48 ILE QG 1 53 TRP HA . . 4.210 3.460 2.336 4.212 0.002 18 0 "[ . 1 . 2]" 1
982 1 48 ILE QG 1 54 ARG H . . 4.100 3.378 2.147 4.089 . 0 0 "[ . 1 . 2]" 1
983 1 48 ILE QG 1 63 LEU MD2 . . 4.830 3.948 2.562 4.736 . 0 0 "[ . 1 . 2]" 1
984 1 48 ILE HG12 1 48 ILE MG . . 3.510 2.558 2.177 3.202 . 0 0 "[ . 1 . 2]" 1
985 1 48 ILE HG13 1 48 ILE MG . . 3.510 2.910 2.246 3.201 . 0 0 "[ . 1 . 2]" 1
986 1 48 ILE MG 1 49 ASP H . . 3.930 3.004 2.948 3.180 . 0 0 "[ . 1 . 2]" 1
987 1 48 ILE MG 1 49 ASP QB . . 3.870 3.177 2.431 3.799 . 0 0 "[ . 1 . 2]" 1
988 1 48 ILE MG 1 50 ASP H . . 5.500 5.545 5.492 5.590 0.090 13 0 "[ . 1 . 2]" 1
989 1 49 ASP H 1 49 ASP QB . . 3.900 2.486 2.276 3.035 . 0 0 "[ . 1 . 2]" 1
990 1 49 ASP H 1 53 TRP HD1 . . 3.530 2.823 2.384 3.164 . 0 0 "[ . 1 . 2]" 1
991 1 49 ASP H 1 53 TRP HE1 . . 4.800 4.299 3.893 4.681 . 0 0 "[ . 1 . 2]" 1
992 1 49 ASP QB 1 50 ASP H . . 3.230 2.555 1.912 3.220 . 0 0 "[ . 1 . 2]" 1
993 1 49 ASP QB 1 51 GLY H . . 4.050 2.597 2.302 3.577 . 0 0 "[ . 1 . 2]" 1
994 1 49 ASP QB 1 51 GLY HA3 . . 5.500 4.107 3.841 4.810 . 0 0 "[ . 1 . 2]" 1
995 1 50 ASP H 1 50 ASP QB . . 3.460 2.305 2.129 2.849 . 0 0 "[ . 1 . 2]" 1
996 1 50 ASP H 1 51 GLY H . . 3.980 2.901 2.334 3.115 . 0 0 "[ . 1 . 2]" 1
997 1 50 ASP HA 1 53 TRP HE1 . . 4.020 3.576 2.932 4.027 0.007 7 0 "[ . 1 . 2]" 1
998 1 50 ASP QB 1 51 GLY H . . 3.790 3.740 3.045 3.848 0.058 20 0 "[ . 1 . 2]" 1
999 1 50 ASP QB 1 52 TRP H . . 5.410 5.233 4.772 5.421 0.011 18 0 "[ . 1 . 2]" 1
1000 1 51 GLY H 1 52 TRP H . . 2.860 1.881 1.792 2.157 . 0 0 "[ . 1 . 2]" 1
1001 1 51 GLY H 1 52 TRP HD1 . . 4.380 3.946 3.000 4.361 . 0 0 "[ . 1 . 2]" 1
1002 1 51 GLY H 1 53 TRP HE1 . . 5.030 4.132 3.493 4.957 . 0 0 "[ . 1 . 2]" 1
1003 1 51 GLY H 1 66 ALA MB . . 4.890 4.521 4.199 4.879 . 0 0 "[ . 1 . 2]" 1
1004 1 51 GLY HA2 1 52 TRP HD1 . . 4.790 4.411 3.848 4.671 . 0 0 "[ . 1 . 2]" 1
1005 1 51 GLY HA2 1 66 ALA H . . 4.720 3.867 3.548 4.192 . 0 0 "[ . 1 . 2]" 1
1006 1 51 GLY HA2 1 66 ALA MB . . 4.190 3.187 2.779 3.419 . 0 0 "[ . 1 . 2]" 1
1007 1 51 GLY HA3 1 52 TRP H . . 3.520 2.928 2.709 3.317 . 0 0 "[ . 1 . 2]" 1
1008 1 51 GLY HA3 1 52 TRP HD1 . . 3.790 2.984 2.546 3.433 . 0 0 "[ . 1 . 2]" 1
1009 1 51 GLY HA3 1 52 TRP HE1 . . 5.150 4.476 4.324 4.644 . 0 0 "[ . 1 . 2]" 1
1010 1 51 GLY HA3 1 66 ALA H . . 4.970 4.610 4.098 4.929 . 0 0 "[ . 1 . 2]" 1
1011 1 51 GLY HA3 1 66 ALA MB . . 4.620 4.470 4.032 4.624 0.004 18 0 "[ . 1 . 2]" 1
1012 1 52 TRP H 1 52 TRP QB . . 3.030 2.553 2.446 2.619 . 0 0 "[ . 1 . 2]" 1
1013 1 52 TRP H 1 52 TRP HD1 . . 3.630 2.829 2.538 3.056 . 0 0 "[ . 1 . 2]" 1
1014 1 52 TRP H 1 53 TRP HD1 . . 4.440 4.264 3.844 4.445 0.005 16 0 "[ . 1 . 2]" 1
1015 1 52 TRP H 1 53 TRP HE1 . . 5.040 4.764 4.299 4.938 . 0 0 "[ . 1 . 2]" 1
1016 1 52 TRP H 1 63 LEU MD2 . . 5.180 4.802 4.547 5.036 . 0 0 "[ . 1 . 2]" 1
1017 1 52 TRP H 1 66 ALA H . . 5.200 4.655 4.386 4.860 . 0 0 "[ . 1 . 2]" 1
1018 1 52 TRP H 1 66 ALA MB . . 4.710 4.471 4.192 4.712 0.002 10 0 "[ . 1 . 2]" 1
1019 1 52 TRP HA 1 52 TRP HD1 . . 4.420 3.815 3.533 3.972 . 0 0 "[ . 1 . 2]" 1
1020 1 52 TRP HA 1 53 TRP H . . 2.730 2.233 2.156 2.291 . 0 0 "[ . 1 . 2]" 1
1021 1 52 TRP HA 1 65 PRO HA . . 3.570 2.513 2.453 2.601 . 0 0 "[ . 1 . 2]" 1
1022 1 52 TRP HA 1 66 ALA H . . 3.440 2.808 2.545 3.077 . 0 0 "[ . 1 . 2]" 1
1023 1 52 TRP HA 1 66 ALA MB . . 4.880 3.637 3.350 3.913 . 0 0 "[ . 1 . 2]" 1
1024 1 52 TRP QB 1 52 TRP HD1 . . 3.190 2.751 2.686 2.866 . 0 0 "[ . 1 . 2]" 1
1025 1 52 TRP QB 1 52 TRP HE1 . . 4.660 4.477 4.459 4.507 . 0 0 "[ . 1 . 2]" 1
1026 1 52 TRP QB 1 52 TRP HE3 . . 3.400 2.421 2.377 2.465 . 0 0 "[ . 1 . 2]" 1
1027 1 52 TRP QB 1 52 TRP HZ3 . . 4.700 4.691 4.645 4.726 0.026 7 0 "[ . 1 . 2]" 1
1028 1 52 TRP QB 1 53 TRP H . . 4.440 2.855 2.670 3.157 . 0 0 "[ . 1 . 2]" 1
1029 1 52 TRP QB 1 63 LEU HB2 . . 5.160 4.849 4.646 5.041 . 0 0 "[ . 1 . 2]" 1
1030 1 52 TRP QB 1 63 LEU HB3 . . 4.690 3.267 3.075 3.473 . 0 0 "[ . 1 . 2]" 1
1031 1 52 TRP QB 1 63 LEU MD1 . . 4.450 4.097 3.760 4.271 . 0 0 "[ . 1 . 2]" 1
1032 1 52 TRP QB 1 63 LEU MD2 . . 3.460 2.046 1.889 2.282 . 0 0 "[ . 1 . 2]" 1
1033 1 52 TRP QB 1 64 PHE H . . 4.260 3.087 2.927 3.247 . 0 0 "[ . 1 . 2]" 1
1034 1 52 TRP QB 1 66 ALA H . . 5.410 4.810 4.569 5.073 . 0 0 "[ . 1 . 2]" 1
1035 1 52 TRP HE3 1 53 TRP H . . 4.080 3.946 3.661 4.090 0.010 8 0 "[ . 1 . 2]" 1
1036 1 52 TRP HE3 1 63 LEU HA . . 4.520 4.013 3.808 4.105 . 0 0 "[ . 1 . 2]" 1
1037 1 52 TRP HE3 1 63 LEU HB2 . . 4.220 4.149 3.996 4.222 0.002 18 0 "[ . 1 . 2]" 1
1038 1 52 TRP HE3 1 63 LEU HB3 . . 3.290 2.540 2.426 2.621 . 0 0 "[ . 1 . 2]" 1
1039 1 52 TRP HE3 1 63 LEU MD1 . . 4.990 4.529 4.345 4.650 . 0 0 "[ . 1 . 2]" 1
1040 1 52 TRP HE3 1 63 LEU MD2 . . 3.970 3.055 2.822 3.136 . 0 0 "[ . 1 . 2]" 1
1041 1 52 TRP HE3 1 63 LEU HG . . 5.400 5.260 5.146 5.353 . 0 0 "[ . 1 . 2]" 1
1042 1 52 TRP HE3 1 64 PHE H . . 3.460 2.687 2.518 2.840 . 0 0 "[ . 1 . 2]" 1
1043 1 52 TRP HE3 1 64 PHE HA . . 3.880 2.737 2.527 2.812 . 0 0 "[ . 1 . 2]" 1
1044 1 52 TRP HE3 1 65 PRO HA . . 4.580 3.756 3.629 3.868 . 0 0 "[ . 1 . 2]" 1
1045 1 52 TRP HE3 1 65 PRO HD2 . . 4.320 4.322 4.288 4.339 0.019 13 0 "[ . 1 . 2]" 1
1046 1 52 TRP HH2 1 65 PRO HB3 . . 4.540 3.980 3.818 4.133 . 0 0 "[ . 1 . 2]" 1
1047 1 52 TRP HH2 1 65 PRO HD2 . . 5.060 4.896 4.760 5.012 . 0 0 "[ . 1 . 2]" 1
1048 1 52 TRP HH2 1 65 PRO HD3 . . 4.320 3.200 3.063 3.303 . 0 0 "[ . 1 . 2]" 1
1049 1 52 TRP HH2 1 65 PRO HG3 . . 4.080 3.857 3.757 4.062 . 0 0 "[ . 1 . 2]" 1
1050 1 52 TRP HZ3 1 63 LEU HB2 . . 4.790 4.741 4.533 4.796 0.006 12 0 "[ . 1 . 2]" 1
1051 1 52 TRP HZ3 1 63 LEU HB3 . . 3.940 3.808 3.706 3.864 . 0 0 "[ . 1 . 2]" 1
1052 1 52 TRP HZ3 1 63 LEU MD2 . . 4.920 4.902 4.682 4.933 0.013 20 0 "[ . 1 . 2]" 1
1053 1 52 TRP HZ3 1 64 PHE H . . 4.740 4.480 4.287 4.637 . 0 0 "[ . 1 . 2]" 1
1054 1 52 TRP HZ3 1 65 PRO HD2 . . 4.470 3.626 3.565 3.756 . 0 0 "[ . 1 . 2]" 1
1055 1 52 TRP HZ3 1 65 PRO HD3 . . 3.770 2.140 2.059 2.310 . 0 0 "[ . 1 . 2]" 1
1056 1 52 TRP HZ3 1 65 PRO HG3 . . 4.980 4.129 4.032 4.394 . 0 0 "[ . 1 . 2]" 1
1057 1 53 TRP H 1 53 TRP HB2 . . 3.220 2.688 2.558 2.778 . 0 0 "[ . 1 . 2]" 1
1058 1 53 TRP H 1 53 TRP HB3 . . 3.860 3.807 3.731 3.858 . 0 0 "[ . 1 . 2]" 1
1059 1 53 TRP H 1 53 TRP HD1 . . 4.380 4.069 3.663 4.249 . 0 0 "[ . 1 . 2]" 1
1060 1 53 TRP H 1 54 ARG H . . 4.950 4.447 4.406 4.494 . 0 0 "[ . 1 . 2]" 1
1061 1 53 TRP H 1 63 LEU HA . . 4.610 4.377 4.119 4.575 . 0 0 "[ . 1 . 2]" 1
1062 1 53 TRP H 1 63 LEU HB3 . . 5.320 5.095 4.860 5.307 . 0 0 "[ . 1 . 2]" 1
1063 1 53 TRP H 1 63 LEU MD2 . . 4.360 3.842 3.593 4.099 . 0 0 "[ . 1 . 2]" 1
1064 1 53 TRP H 1 64 PHE H . . 3.530 2.713 2.492 2.889 . 0 0 "[ . 1 . 2]" 1
1065 1 53 TRP H 1 64 PHE HB2 . . 5.500 5.109 5.044 5.164 . 0 0 "[ . 1 . 2]" 1
1066 1 53 TRP H 1 65 PRO HA . . 4.110 3.947 3.851 4.100 . 0 0 "[ . 1 . 2]" 1
1067 1 53 TRP H 1 66 ALA H . . 4.190 4.099 3.883 4.194 0.004 10 0 "[ . 1 . 2]" 1
1068 1 53 TRP H 1 66 ALA HA . . 5.500 4.899 4.687 5.086 . 0 0 "[ . 1 . 2]" 1
1069 1 53 TRP H 1 66 ALA MB . . 4.170 4.035 3.820 4.169 . 0 0 "[ . 1 . 2]" 1
1070 1 53 TRP HA 1 53 TRP HD1 . . 2.990 2.203 2.139 2.299 . 0 0 "[ . 1 . 2]" 1
1071 1 53 TRP HA 1 53 TRP HE1 . . 4.870 4.702 4.644 4.772 . 0 0 "[ . 1 . 2]" 1
1072 1 53 TRP HA 1 54 ARG H . . 3.030 2.455 2.369 2.604 . 0 0 "[ . 1 . 2]" 1
1073 1 53 TRP HA 1 63 LEU MD2 . . 5.080 3.916 3.731 4.092 . 0 0 "[ . 1 . 2]" 1
1074 1 53 TRP HB2 1 53 TRP HE3 . . 3.910 2.559 2.479 2.734 . 0 0 "[ . 1 . 2]" 1
1075 1 53 TRP HB2 1 54 ARG H . . 3.750 3.543 3.242 3.691 . 0 0 "[ . 1 . 2]" 1
1076 1 53 TRP HB2 1 64 PHE H . . 4.900 4.565 4.395 4.756 . 0 0 "[ . 1 . 2]" 1
1077 1 53 TRP HB2 1 64 PHE HZ . . 4.290 2.530 2.361 2.674 . 0 0 "[ . 1 . 2]" 1
1078 1 53 TRP HB2 1 66 ALA HA . . 4.800 4.479 4.318 4.620 . 0 0 "[ . 1 . 2]" 1
1079 1 53 TRP HB2 1 66 ALA MB . . 4.960 3.740 3.630 3.911 . 0 0 "[ . 1 . 2]" 1
1080 1 53 TRP HB2 1 69 VAL MG2 . . 4.910 4.396 4.207 4.613 . 0 0 "[ . 1 . 2]" 1
1081 1 53 TRP HB3 1 53 TRP HE3 . . 4.050 3.411 3.175 3.540 . 0 0 "[ . 1 . 2]" 1
1082 1 53 TRP HB3 1 54 ARG H . . 3.100 2.332 2.049 2.525 . 0 0 "[ . 1 . 2]" 1
1083 1 53 TRP HB3 1 64 PHE HZ . . 4.520 3.097 2.813 3.385 . 0 0 "[ . 1 . 2]" 1
1084 1 53 TRP HD1 1 54 ARG H . . 4.450 4.201 4.034 4.347 . 0 0 "[ . 1 . 2]" 1
1085 1 53 TRP HD1 1 63 LEU MD2 . . 5.500 5.298 5.112 5.446 . 0 0 "[ . 1 . 2]" 1
1086 1 53 TRP HD1 1 66 ALA MB . . 4.540 4.424 4.133 4.522 . 0 0 "[ . 1 . 2]" 1
1087 1 53 TRP HE1 1 66 ALA MB . . 3.940 3.882 3.558 3.945 0.005 3 0 "[ . 1 . 2]" 1
1088 1 53 TRP HE3 1 64 PHE HZ . . 3.570 2.736 2.540 3.116 . 0 0 "[ . 1 . 2]" 1
1089 1 53 TRP HE3 1 66 ALA HA . . 4.450 3.519 3.165 4.135 . 0 0 "[ . 1 . 2]" 1
1090 1 53 TRP HE3 1 66 ALA MB . . 4.680 3.051 2.807 3.580 . 0 0 "[ . 1 . 2]" 1
1091 1 53 TRP HE3 1 71 LEU MD2 . . 4.770 3.589 3.018 4.237 . 0 0 "[ . 1 . 2]" 1
1092 1 53 TRP HH2 1 66 ALA MB . . 4.380 2.864 2.581 3.611 . 0 0 "[ . 1 . 2]" 1
1093 1 53 TRP HH2 1 71 LEU H . . 5.230 4.535 4.209 5.045 . 0 0 "[ . 1 . 2]" 1
1094 1 53 TRP HH2 1 71 LEU HB2 . . 4.910 4.672 4.445 4.901 . 0 0 "[ . 1 . 2]" 1
1095 1 53 TRP HH2 1 71 LEU MD1 . . 3.310 2.251 1.966 2.677 . 0 0 "[ . 1 . 2]" 1
1096 1 53 TRP HH2 1 71 LEU MD2 . . 3.650 3.223 2.245 3.607 . 0 0 "[ . 1 . 2]" 1
1097 1 53 TRP HH2 1 71 LEU HG . . 3.460 2.657 2.238 3.118 . 0 0 "[ . 1 . 2]" 1
1098 1 53 TRP HZ2 1 66 ALA MB . . 3.670 3.264 2.977 3.511 . 0 0 "[ . 1 . 2]" 1
1099 1 53 TRP HZ2 1 71 LEU MD1 . . 4.310 3.485 3.135 3.948 . 0 0 "[ . 1 . 2]" 1
1100 1 53 TRP HZ2 1 71 LEU MD2 . . 4.770 4.501 3.725 4.766 . 0 0 "[ . 1 . 2]" 1
1101 1 53 TRP HZ3 1 69 VAL MG2 . . 3.310 2.743 2.380 3.204 . 0 0 "[ . 1 . 2]" 1
1102 1 53 TRP HZ3 1 71 LEU H . . 5.200 4.205 3.742 4.688 . 0 0 "[ . 1 . 2]" 1
1103 1 53 TRP HZ3 1 71 LEU MD1 . . 4.320 3.497 2.903 3.922 . 0 0 "[ . 1 . 2]" 1
1104 1 53 TRP HZ3 1 71 LEU MD2 . . 3.420 2.519 1.933 3.136 . 0 0 "[ . 1 . 2]" 1
1105 1 53 TRP HZ3 1 71 LEU HG . . 4.240 2.565 2.196 2.929 . 0 0 "[ . 1 . 2]" 1
1106 1 54 ARG H 1 54 ARG HB2 . . 3.590 2.542 2.438 2.690 . 0 0 "[ . 1 . 2]" 1
1107 1 54 ARG H 1 54 ARG HB3 . . 4.180 3.668 3.601 3.754 . 0 0 "[ . 1 . 2]" 1
1108 1 54 ARG H 1 54 ARG HG2 . . 4.550 4.260 4.066 4.480 . 0 0 "[ . 1 . 2]" 1
1109 1 54 ARG H 1 54 ARG HG3 . . 4.840 3.574 3.247 3.857 . 0 0 "[ . 1 . 2]" 1
1110 1 54 ARG H 1 61 TYR QE . . 5.400 4.833 4.651 5.008 . 0 0 "[ . 1 . 2]" 1
1111 1 54 ARG H 1 63 LEU MD2 . . 4.900 4.647 4.439 4.818 . 0 0 "[ . 1 . 2]" 1
1112 1 54 ARG HA 1 54 ARG QD . . 4.880 3.866 3.640 4.099 . 0 0 "[ . 1 . 2]" 1
1113 1 54 ARG HA 1 54 ARG HG2 . . 3.990 2.316 2.186 2.555 . 0 0 "[ . 1 . 2]" 1
1114 1 54 ARG HA 1 54 ARG HG3 . . 4.160 3.003 2.721 3.207 . 0 0 "[ . 1 . 2]" 1
1115 1 54 ARG HA 1 55 GLY H . . 2.790 2.146 2.144 2.154 . 0 0 "[ . 1 . 2]" 1
1116 1 54 ARG HA 1 62 GLY H . . 4.260 3.894 3.824 3.966 . 0 0 "[ . 1 . 2]" 1
1117 1 54 ARG HA 1 62 GLY HA2 . . 5.500 4.774 4.635 4.914 . 0 0 "[ . 1 . 2]" 1
1118 1 54 ARG HA 1 63 LEU HA . . 3.110 3.093 3.009 3.146 0.036 20 0 "[ . 1 . 2]" 1
1119 1 54 ARG HA 1 63 LEU MD2 . . 5.060 4.312 4.105 4.526 . 0 0 "[ . 1 . 2]" 1
1120 1 54 ARG HB2 1 54 ARG HE . . 5.160 3.803 2.463 4.618 . 0 0 "[ . 1 . 2]" 1
1121 1 54 ARG HB2 1 55 GLY H . . 4.640 4.451 4.368 4.537 . 0 0 "[ . 1 . 2]" 1
1122 1 54 ARG HB2 1 61 TYR QE . . 5.120 3.397 3.078 3.694 . 0 0 "[ . 1 . 2]" 1
1123 1 54 ARG HB3 1 54 ARG HE . . 4.750 3.857 2.349 4.554 . 0 0 "[ . 1 . 2]" 1
1124 1 54 ARG HB3 1 55 GLY H . . 3.710 3.545 3.410 3.725 0.015 19 0 "[ . 1 . 2]" 1
1125 1 54 ARG HB3 1 61 TYR QD . . 4.720 3.694 3.548 3.858 . 0 0 "[ . 1 . 2]" 1
1126 1 54 ARG HB3 1 61 TYR QE . . 3.900 2.438 2.317 2.653 . 0 0 "[ . 1 . 2]" 1
1127 1 54 ARG HB3 1 62 GLY H . . 4.650 4.472 4.204 4.653 0.003 16 0 "[ . 1 . 2]" 1
1128 1 54 ARG HB3 1 62 GLY HA2 . . 5.020 4.639 4.349 4.805 . 0 0 "[ . 1 . 2]" 1
1129 1 54 ARG QD 1 55 GLY H . . 5.500 5.095 4.704 5.493 . 0 0 "[ . 1 . 2]" 1
1130 1 54 ARG QD 1 61 TYR QE . . 3.630 2.531 2.256 3.247 . 0 0 "[ . 1 . 2]" 1
1131 1 54 ARG QD 1 62 GLY HA2 . . 5.500 3.595 2.806 4.330 . 0 0 "[ . 1 . 2]" 1
1132 1 54 ARG QD 1 63 LEU MD1 . . 4.750 3.919 3.291 4.690 . 0 0 "[ . 1 . 2]" 1
1133 1 54 ARG QD 1 63 LEU MD2 . . 4.480 3.604 2.986 4.226 . 0 0 "[ . 1 . 2]" 1
1134 1 54 ARG QD 1 63 LEU HG . . 4.870 3.006 2.208 3.914 . 0 0 "[ . 1 . 2]" 1
1135 1 54 ARG HE 1 63 LEU MD2 . . 5.370 3.358 1.848 4.998 . 0 0 "[ . 1 . 2]" 1
1136 1 54 ARG HE 1 63 LEU HG . . 5.150 2.758 1.898 4.209 . 0 0 "[ . 1 . 2]" 1
1137 1 54 ARG HG2 1 55 GLY H . . 4.560 4.063 3.971 4.265 . 0 0 "[ . 1 . 2]" 1
1138 1 54 ARG HG2 1 61 TYR QE . . 5.000 4.321 3.926 4.610 . 0 0 "[ . 1 . 2]" 1
1139 1 54 ARG HG2 1 62 GLY H . . 4.480 4.145 3.955 4.316 . 0 0 "[ . 1 . 2]" 1
1140 1 54 ARG HG2 1 62 GLY HA2 . . 4.810 3.436 3.225 3.686 . 0 0 "[ . 1 . 2]" 1
1141 1 54 ARG HG2 1 63 LEU H . . 5.070 3.560 3.359 3.755 . 0 0 "[ . 1 . 2]" 1
1142 1 54 ARG HG2 1 63 LEU MD1 . . 4.950 4.375 4.256 4.603 . 0 0 "[ . 1 . 2]" 1
1143 1 54 ARG HG2 1 63 LEU MD2 . . 3.630 3.290 3.040 3.607 . 0 0 "[ . 1 . 2]" 1
1144 1 54 ARG HG2 1 64 PHE H . . 5.500 4.232 3.897 4.756 . 0 0 "[ . 1 . 2]" 1
1145 1 54 ARG HG3 1 61 TYR QE . . 5.020 4.804 4.686 4.941 . 0 0 "[ . 1 . 2]" 1
1146 1 54 ARG HG3 1 63 LEU H . . 4.970 4.777 4.480 4.968 . 0 0 "[ . 1 . 2]" 1
1147 1 54 ARG HG3 1 63 LEU HA . . 4.410 2.871 2.520 3.080 . 0 0 "[ . 1 . 2]" 1
1148 1 54 ARG HG3 1 63 LEU MD1 . . 4.880 4.200 3.918 4.376 . 0 0 "[ . 1 . 2]" 1
1149 1 54 ARG HG3 1 63 LEU MD2 . . 4.600 2.340 1.988 2.726 . 0 0 "[ . 1 . 2]" 1
1150 1 54 ARG HG3 1 64 PHE H . . 4.780 4.398 3.952 4.702 . 0 0 "[ . 1 . 2]" 1
1151 1 55 GLY H 1 57 CYS HB3 . . 5.500 5.451 5.350 5.514 0.014 17 0 "[ . 1 . 2]" 1
1152 1 55 GLY H 1 61 TYR HA . . 4.440 3.895 3.835 3.989 . 0 0 "[ . 1 . 2]" 1
1153 1 55 GLY H 1 61 TYR HB2 . . 5.500 5.509 5.500 5.540 0.040 20 0 "[ . 1 . 2]" 1
1154 1 55 GLY H 1 61 TYR QD . . 4.370 3.848 3.609 4.012 . 0 0 "[ . 1 . 2]" 1
1155 1 55 GLY H 1 61 TYR QE . . 4.700 4.221 3.984 4.378 . 0 0 "[ . 1 . 2]" 1
1156 1 55 GLY H 1 62 GLY H . . 3.400 3.190 3.121 3.264 . 0 0 "[ . 1 . 2]" 1
1157 1 55 GLY H 1 62 GLY HA2 . . 5.360 5.287 5.169 5.360 . 0 0 "[ . 1 . 2]" 1
1158 1 55 GLY H 1 62 GLY HA3 . . 5.500 5.450 5.374 5.516 0.016 20 0 "[ . 1 . 2]" 1
1159 1 55 GLY H 1 64 PHE QE . . 4.470 2.196 2.043 2.379 . 0 0 "[ . 1 . 2]" 1
1160 1 55 GLY HA2 1 56 VAL H . . 3.150 2.412 2.348 2.438 . 0 0 "[ . 1 . 2]" 1
1161 1 55 GLY HA2 1 56 VAL MG2 . . 4.370 3.496 3.370 3.623 . 0 0 "[ . 1 . 2]" 1
1162 1 55 GLY HA2 1 61 TYR QD . . 4.960 2.879 2.680 3.084 . 0 0 "[ . 1 . 2]" 1
1163 1 55 GLY HA2 1 61 TYR QE . . 4.000 3.180 2.971 3.380 . 0 0 "[ . 1 . 2]" 1
1164 1 55 GLY HA2 1 62 GLY H . . 5.350 5.221 5.150 5.274 . 0 0 "[ . 1 . 2]" 1
1165 1 55 GLY HA3 1 56 VAL H . . 3.060 2.727 2.695 2.803 . 0 0 "[ . 1 . 2]" 1
1166 1 55 GLY HA3 1 56 VAL MG2 . . 4.840 4.458 4.362 4.545 . 0 0 "[ . 1 . 2]" 1
1167 1 55 GLY HA3 1 61 TYR QD . . 4.500 4.228 4.026 4.414 . 0 0 "[ . 1 . 2]" 1
1168 1 55 GLY HA3 1 61 TYR QE . . 4.920 4.741 4.509 4.923 0.003 10 0 "[ . 1 . 2]" 1
1169 1 56 VAL H 1 56 VAL HB . . 3.040 2.522 2.476 2.579 . 0 0 "[ . 1 . 2]" 1
1170 1 56 VAL H 1 56 VAL MG1 . . 3.980 3.792 3.774 3.807 . 0 0 "[ . 1 . 2]" 1
1171 1 56 VAL H 1 56 VAL MG2 . . 3.300 2.445 2.210 2.590 . 0 0 "[ . 1 . 2]" 1
1172 1 56 VAL H 1 57 CYS H . . 4.830 4.262 4.246 4.303 . 0 0 "[ . 1 . 2]" 1
1173 1 56 VAL H 1 61 TYR QD . . 4.600 3.493 3.355 3.562 . 0 0 "[ . 1 . 2]" 1
1174 1 56 VAL H 1 61 TYR QE . . 4.940 4.922 4.810 4.946 0.006 20 0 "[ . 1 . 2]" 1
1175 1 56 VAL HA 1 56 VAL MG1 . . 3.300 2.412 2.289 2.467 . 0 0 "[ . 1 . 2]" 1
1176 1 56 VAL HA 1 56 VAL MG2 . . 3.370 2.360 2.282 2.427 . 0 0 "[ . 1 . 2]" 1
1177 1 56 VAL HA 1 57 CYS H . . 2.670 2.168 2.153 2.171 . 0 0 "[ . 1 . 2]" 1
1178 1 56 VAL HA 1 60 ARG H . . 4.470 3.392 3.324 3.535 . 0 0 "[ . 1 . 2]" 1
1179 1 56 VAL HA 1 61 TYR HA . . 3.340 2.652 2.550 2.691 . 0 0 "[ . 1 . 2]" 1
1180 1 56 VAL HA 1 61 TYR HB2 . . 4.860 2.970 2.834 3.050 . 0 0 "[ . 1 . 2]" 1
1181 1 56 VAL HA 1 61 TYR HB3 . . 4.960 4.471 4.340 4.550 . 0 0 "[ . 1 . 2]" 1
1182 1 56 VAL HA 1 61 TYR QD . . 4.010 3.475 3.417 3.551 . 0 0 "[ . 1 . 2]" 1
1183 1 56 VAL HA 1 62 GLY H . . 4.510 4.498 4.368 4.526 0.016 17 0 "[ . 1 . 2]" 1
1184 1 56 VAL HB 1 57 CYS H . . 4.640 4.393 4.353 4.421 . 0 0 "[ . 1 . 2]" 1
1185 1 56 VAL HB 1 61 TYR QD . . 4.910 4.762 4.687 4.883 . 0 0 "[ . 1 . 2]" 1
1186 1 56 VAL MG1 1 57 CYS H . . 3.480 3.106 2.996 3.172 . 0 0 "[ . 1 . 2]" 1
1187 1 56 VAL MG1 1 58 LYS H . . 4.770 4.309 4.177 4.564 . 0 0 "[ . 1 . 2]" 1
1188 1 56 VAL MG1 1 59 GLY H . . 3.520 2.685 2.558 2.885 . 0 0 "[ . 1 . 2]" 1
1189 1 56 VAL MG1 1 59 GLY HA2 . . 4.110 2.653 2.571 2.743 . 0 0 "[ . 1 . 2]" 1
1190 1 56 VAL MG1 1 59 GLY HA3 . . 4.670 4.038 3.958 4.123 . 0 0 "[ . 1 . 2]" 1
1191 1 56 VAL MG1 1 60 ARG H . . 3.530 2.632 2.438 2.856 . 0 0 "[ . 1 . 2]" 1
1192 1 56 VAL MG1 1 61 TYR HA . . 4.820 4.256 4.137 4.336 . 0 0 "[ . 1 . 2]" 1
1193 1 56 VAL MG1 1 61 TYR HB2 . . 4.720 3.481 3.337 3.612 . 0 0 "[ . 1 . 2]" 1
1194 1 56 VAL MG1 1 61 TYR HB3 . . 4.760 4.623 4.455 4.755 . 0 0 "[ . 1 . 2]" 1
1195 1 56 VAL MG1 1 61 TYR QD . . 4.730 4.545 4.468 4.663 . 0 0 "[ . 1 . 2]" 1
1196 1 56 VAL MG2 1 57 CYS H . . 4.320 4.186 4.151 4.226 . 0 0 "[ . 1 . 2]" 1
1197 1 56 VAL MG2 1 59 GLY H . . 5.500 5.346 5.215 5.499 . 0 0 "[ . 1 . 2]" 1
1198 1 56 VAL MG2 1 60 ARG H . . 5.010 4.559 4.408 4.802 . 0 0 "[ . 1 . 2]" 1
1199 1 56 VAL MG2 1 61 TYR HA . . 3.690 3.452 3.256 3.645 . 0 0 "[ . 1 . 2]" 1
1200 1 56 VAL MG2 1 61 TYR HB2 . . 3.660 2.074 1.976 2.222 . 0 0 "[ . 1 . 2]" 1
1201 1 56 VAL MG2 1 61 TYR HB3 . . 3.600 3.582 3.544 3.602 0.002 15 0 "[ . 1 . 2]" 1
1202 1 56 VAL MG2 1 61 TYR QD . . 2.780 2.353 2.092 2.582 . 0 0 "[ . 1 . 2]" 1
1203 1 56 VAL MG2 1 61 TYR QE . . 4.230 4.060 3.931 4.213 . 0 0 "[ . 1 . 2]" 1
1204 1 56 VAL MG2 1 62 GLY H . . 5.500 5.160 4.974 5.342 . 0 0 "[ . 1 . 2]" 1
1205 1 57 CYS H 1 57 CYS HB2 . . 3.980 3.704 3.285 3.782 . 0 0 "[ . 1 . 2]" 1
1206 1 57 CYS H 1 57 CYS HB3 . . 3.480 2.692 2.422 2.814 . 0 0 "[ . 1 . 2]" 1
1207 1 57 CYS H 1 58 LYS H . . 4.650 4.403 4.358 4.452 . 0 0 "[ . 1 . 2]" 1
1208 1 57 CYS H 1 59 GLY H . . 4.350 3.943 3.703 4.209 . 0 0 "[ . 1 . 2]" 1
1209 1 57 CYS H 1 59 GLY HA2 . . 5.410 5.033 4.878 5.143 . 0 0 "[ . 1 . 2]" 1
1210 1 57 CYS H 1 60 ARG H . . 3.330 2.560 2.422 2.672 . 0 0 "[ . 1 . 2]" 1
1211 1 57 CYS H 1 61 TYR HA . . 3.920 3.533 3.375 3.616 . 0 0 "[ . 1 . 2]" 1
1212 1 57 CYS H 1 62 GLY H . . 4.840 4.724 4.574 4.807 . 0 0 "[ . 1 . 2]" 1
1213 1 57 CYS HA 1 58 LYS H . . 2.810 2.164 2.146 2.196 . 0 0 "[ . 1 . 2]" 1
1214 1 57 CYS HB2 1 58 LYS H . . 4.640 3.394 3.115 3.961 . 0 0 "[ . 1 . 2]" 1
1215 1 57 CYS HB3 1 58 LYS H . . 4.470 4.341 4.251 4.378 . 0 0 "[ . 1 . 2]" 1
1216 1 57 CYS HB3 1 60 ARG H . . 5.090 4.802 4.120 5.080 . 0 0 "[ . 1 . 2]" 1
1217 1 58 LYS H 1 58 LYS HA . . 2.910 2.292 2.282 2.308 . 0 0 "[ . 1 . 2]" 1
1218 1 58 LYS H 1 58 LYS QB . . 3.770 3.168 3.062 3.248 . 0 0 "[ . 1 . 2]" 1
1219 1 58 LYS H 1 58 LYS QD . . 4.870 4.454 3.801 4.817 . 0 0 "[ . 1 . 2]" 1
1220 1 58 LYS H 1 58 LYS HG2 . . 3.920 3.271 2.471 3.803 . 0 0 "[ . 1 . 2]" 1
1221 1 58 LYS H 1 58 LYS QG . . 3.280 2.678 2.446 2.982 . 0 0 "[ . 1 . 2]" 1
1222 1 58 LYS H 1 58 LYS HG3 . . 3.920 3.154 2.525 3.960 0.040 20 0 "[ . 1 . 2]" 1
1223 1 58 LYS H 1 59 GLY H . . 3.610 2.864 2.799 2.960 . 0 0 "[ . 1 . 2]" 1
1224 1 58 LYS H 1 60 ARG H . . 4.830 4.380 4.303 4.466 . 0 0 "[ . 1 . 2]" 1
1225 1 58 LYS HA 1 58 LYS QD . . 4.600 3.694 2.413 4.216 . 0 0 "[ . 1 . 2]" 1
1226 1 58 LYS HA 1 58 LYS HG2 . . 3.720 2.477 2.224 2.693 . 0 0 "[ . 1 . 2]" 1
1227 1 58 LYS HA 1 58 LYS QG . . 3.220 2.379 2.187 2.579 . 0 0 "[ . 1 . 2]" 1
1228 1 58 LYS HA 1 58 LYS HG3 . . 3.720 3.182 2.782 3.739 0.019 16 0 "[ . 1 . 2]" 1
1229 1 58 LYS HA 1 59 GLY H . . 3.190 2.918 2.802 2.990 . 0 0 "[ . 1 . 2]" 1
1230 1 58 LYS HA 1 60 ARG H . . 4.910 4.884 4.798 4.915 0.005 9 0 "[ . 1 . 2]" 1
1231 1 58 LYS QB 1 58 LYS HE2 . . 3.980 3.321 2.014 4.006 0.026 4 0 "[ . 1 . 2]" 1
1232 1 58 LYS QB 1 58 LYS HE3 . . 3.980 3.439 2.101 4.007 0.027 14 0 "[ . 1 . 2]" 1
1233 1 58 LYS QB 1 59 GLY H . . 4.120 3.784 3.726 3.859 . 0 0 "[ . 1 . 2]" 1
1234 1 58 LYS QG 1 59 GLY H . . 5.140 4.568 4.518 4.619 . 0 0 "[ . 1 . 2]" 1
1235 1 59 GLY H 1 59 GLY HA2 . . 2.890 2.322 2.302 2.345 . 0 0 "[ . 1 . 2]" 1
1236 1 59 GLY H 1 60 ARG H . . 3.230 2.464 2.327 2.615 . 0 0 "[ . 1 . 2]" 1
1237 1 60 ARG H 1 60 ARG HB2 . . 3.040 2.726 2.625 2.765 . 0 0 "[ . 1 . 2]" 1
1238 1 60 ARG H 1 60 ARG HB3 . . 3.940 3.726 3.654 3.783 . 0 0 "[ . 1 . 2]" 1
1239 1 60 ARG H 1 60 ARG HG2 . . 4.450 4.193 3.831 4.345 . 0 0 "[ . 1 . 2]" 1
1240 1 60 ARG H 1 60 ARG QG . . 3.850 3.648 3.557 3.695 . 0 0 "[ . 1 . 2]" 1
1241 1 60 ARG H 1 60 ARG HG3 . . 4.450 4.063 3.843 4.496 0.046 17 0 "[ . 1 . 2]" 1
1242 1 60 ARG H 1 61 TYR H . . 4.740 4.141 4.101 4.217 . 0 0 "[ . 1 . 2]" 1
1243 1 60 ARG HA 1 61 TYR H . . 2.740 2.145 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
1244 1 60 ARG HB3 1 60 ARG HD2 . . 4.150 2.324 2.072 3.414 . 0 0 "[ . 1 . 2]" 1
1245 1 60 ARG HB3 1 60 ARG HD3 . . 4.150 2.794 2.088 3.401 . 0 0 "[ . 1 . 2]" 1
1246 1 60 ARG HB3 1 61 TYR H . . 3.550 3.447 3.393 3.493 . 0 0 "[ . 1 . 2]" 1
1247 1 60 ARG HB3 1 62 GLY H . . 5.500 4.764 4.682 4.859 . 0 0 "[ . 1 . 2]" 1
1248 1 60 ARG HD2 1 61 TYR H . . 5.500 5.233 4.451 5.516 0.016 19 0 "[ . 1 . 2]" 1
1249 1 60 ARG HD3 1 61 TYR H . . 5.500 4.750 3.274 5.515 0.015 9 0 "[ . 1 . 2]" 1
1250 1 60 ARG QG 1 61 TYR H . . 4.090 3.838 3.693 4.148 0.058 17 0 "[ . 1 . 2]" 1
1251 1 61 TYR H 1 61 TYR HB2 . . 3.220 3.104 3.073 3.126 . 0 0 "[ . 1 . 2]" 1
1252 1 61 TYR H 1 61 TYR HB3 . . 3.240 2.488 2.437 2.520 . 0 0 "[ . 1 . 2]" 1
1253 1 61 TYR H 1 61 TYR QD . . 4.340 4.143 4.069 4.189 . 0 0 "[ . 1 . 2]" 1
1254 1 61 TYR HA 1 61 TYR QD . . 3.170 2.916 2.780 3.040 . 0 0 "[ . 1 . 2]" 1
1255 1 61 TYR HA 1 62 GLY H . . 2.720 2.149 2.144 2.152 . 0 0 "[ . 1 . 2]" 1
1256 1 61 TYR HB2 1 62 GLY H . . 4.500 4.324 4.284 4.347 . 0 0 "[ . 1 . 2]" 1
1257 1 61 TYR HB3 1 62 GLY H . . 4.560 4.429 4.407 4.447 . 0 0 "[ . 1 . 2]" 1
1258 1 61 TYR QD 1 62 GLY H . . 4.030 3.884 3.749 3.938 . 0 0 "[ . 1 . 2]" 1
1259 1 61 TYR QD 1 62 GLY HA2 . . 4.520 3.800 3.621 3.982 . 0 0 "[ . 1 . 2]" 1
1260 1 61 TYR QE 1 62 GLY H . . 5.190 4.972 4.870 5.029 . 0 0 "[ . 1 . 2]" 1
1261 1 62 GLY H 1 63 LEU H . . 4.780 4.377 4.370 4.390 . 0 0 "[ . 1 . 2]" 1
1262 1 62 GLY HA2 1 63 LEU H . . 3.190 2.624 2.583 2.641 . 0 0 "[ . 1 . 2]" 1
1263 1 62 GLY HA2 1 63 LEU HA . . 5.500 4.321 4.316 4.326 . 0 0 "[ . 1 . 2]" 1
1264 1 62 GLY HA2 1 63 LEU HG . . 5.330 4.395 4.312 4.541 . 0 0 "[ . 1 . 2]" 1
1265 1 62 GLY HA3 1 63 LEU H . . 3.050 2.503 2.487 2.542 . 0 0 "[ . 1 . 2]" 1
1266 1 63 LEU H 1 63 LEU HB2 . . 3.110 2.198 2.164 2.220 . 0 0 "[ . 1 . 2]" 1
1267 1 63 LEU H 1 63 LEU HB3 . . 4.000 3.502 3.473 3.519 . 0 0 "[ . 1 . 2]" 1
1268 1 63 LEU H 1 63 LEU MD1 . . 3.820 3.417 3.339 3.568 . 0 0 "[ . 1 . 2]" 1
1269 1 63 LEU H 1 63 LEU MD2 . . 4.380 4.202 4.151 4.248 . 0 0 "[ . 1 . 2]" 1
1270 1 63 LEU H 1 63 LEU HG . . 3.360 3.114 3.039 3.201 . 0 0 "[ . 1 . 2]" 1
1271 1 63 LEU HA 1 63 LEU MD1 . . 4.180 3.806 3.780 3.825 . 0 0 "[ . 1 . 2]" 1
1272 1 63 LEU HA 1 63 LEU MD2 . . 3.290 2.539 2.275 2.616 . 0 0 "[ . 1 . 2]" 1
1273 1 63 LEU HA 1 63 LEU HG . . 3.820 2.537 2.473 2.603 . 0 0 "[ . 1 . 2]" 1
1274 1 63 LEU HA 1 64 PHE H . . 2.700 2.209 2.184 2.233 . 0 0 "[ . 1 . 2]" 1
1275 1 63 LEU HB2 1 63 LEU MD1 . . 3.600 2.101 1.984 2.242 . 0 0 "[ . 1 . 2]" 1
1276 1 63 LEU HB3 1 63 LEU MD1 . . 3.520 2.635 2.523 2.688 . 0 0 "[ . 1 . 2]" 1
1277 1 63 LEU HB3 1 63 LEU MD2 . . 3.150 2.047 2.010 2.203 . 0 0 "[ . 1 . 2]" 1
1278 1 63 LEU HB3 1 64 PHE H . . 3.340 3.043 2.957 3.144 . 0 0 "[ . 1 . 2]" 1
1279 1 63 LEU MD2 1 64 PHE H . . 3.650 3.085 2.929 3.220 . 0 0 "[ . 1 . 2]" 1
1280 1 64 PHE H 1 64 PHE QD . . 4.110 3.220 2.838 3.470 . 0 0 "[ . 1 . 2]" 1
1281 1 64 PHE H 1 65 PRO HD2 . . 4.840 4.790 4.777 4.805 . 0 0 "[ . 1 . 2]" 1
1282 1 64 PHE HB2 1 65 PRO HD2 . . 3.480 2.275 2.069 2.346 . 0 0 "[ . 1 . 2]" 1
1283 1 64 PHE HB2 1 65 PRO HD3 . . 3.870 3.678 3.498 3.740 . 0 0 "[ . 1 . 2]" 1
1284 1 64 PHE HB2 1 65 PRO HG2 . . 5.480 4.090 3.923 4.147 . 0 0 "[ . 1 . 2]" 1
1285 1 64 PHE HB2 1 69 VAL MG1 . . 5.160 4.065 3.791 4.354 . 0 0 "[ . 1 . 2]" 1
1286 1 64 PHE HB3 1 65 PRO HD2 . . 4.010 3.612 3.481 3.674 . 0 0 "[ . 1 . 2]" 1
1287 1 64 PHE HB3 1 65 PRO HD3 . . 4.700 4.541 4.437 4.590 . 0 0 "[ . 1 . 2]" 1
1288 1 64 PHE QD 1 65 PRO HD2 . . 4.460 3.506 3.361 3.655 . 0 0 "[ . 1 . 2]" 1
1289 1 64 PHE QD 1 66 ALA HA . . 4.480 3.406 3.261 3.746 . 0 0 "[ . 1 . 2]" 1
1290 1 64 PHE QD 1 69 VAL MG1 . . 3.960 2.989 2.617 3.403 . 0 0 "[ . 1 . 2]" 1
1291 1 64 PHE HZ 1 69 VAL MG1 . . 4.770 4.661 4.501 4.771 0.001 4 0 "[ . 1 . 2]" 1
1292 1 64 PHE HZ 1 69 VAL MG2 . . 4.110 3.866 3.705 4.076 . 0 0 "[ . 1 . 2]" 1
1293 1 65 PRO HA 1 66 ALA H . . 2.660 2.160 2.151 2.177 . 0 0 "[ . 1 . 2]" 1
1294 1 65 PRO HA 1 66 ALA HA . . 4.620 4.382 4.371 4.400 . 0 0 "[ . 1 . 2]" 1
1295 1 65 PRO HA 1 66 ALA MB . . 4.190 3.995 3.942 4.014 . 0 0 "[ . 1 . 2]" 1
1296 1 65 PRO HA 1 67 ASN H . . 4.110 3.497 3.421 3.570 . 0 0 "[ . 1 . 2]" 1
1297 1 65 PRO HB2 1 66 ALA H . . 4.250 3.492 3.354 3.642 . 0 0 "[ . 1 . 2]" 1
1298 1 65 PRO HB2 1 67 ASN H . . 3.940 2.419 2.377 2.469 . 0 0 "[ . 1 . 2]" 1
1299 1 65 PRO HB2 1 68 TYR H . . 3.960 2.774 2.559 2.961 . 0 0 "[ . 1 . 2]" 1
1300 1 65 PRO HB2 1 68 TYR HB2 . . 4.780 3.654 3.341 3.787 . 0 0 "[ . 1 . 2]" 1
1301 1 65 PRO HB2 1 68 TYR QD . . 3.420 2.553 2.388 2.679 . 0 0 "[ . 1 . 2]" 1
1302 1 65 PRO HB2 1 68 TYR QE . . 4.330 4.234 4.076 4.332 0.002 18 0 "[ . 1 . 2]" 1
1303 1 65 PRO HB3 1 66 ALA H . . 4.180 3.974 3.882 4.075 . 0 0 "[ . 1 . 2]" 1
1304 1 65 PRO HB3 1 67 ASN H . . 4.410 3.875 3.858 3.895 . 0 0 "[ . 1 . 2]" 1
1305 1 65 PRO HB3 1 68 TYR QD . . 4.290 3.761 3.325 3.960 . 0 0 "[ . 1 . 2]" 1
1306 1 65 PRO HB3 1 68 TYR QE . . 5.060 4.724 4.460 4.913 . 0 0 "[ . 1 . 2]" 1
1307 1 65 PRO HD2 1 68 TYR HB2 . . 5.330 4.030 3.820 4.174 . 0 0 "[ . 1 . 2]" 1
1308 1 65 PRO HD2 1 68 TYR QD . . 5.360 4.725 4.261 4.950 . 0 0 "[ . 1 . 2]" 1
1309 1 65 PRO HG2 1 68 TYR H . . 4.730 3.086 2.925 3.278 . 0 0 "[ . 1 . 2]" 1
1310 1 65 PRO HG2 1 68 TYR HB2 . . 4.200 2.271 1.996 2.431 . 0 0 "[ . 1 . 2]" 1
1311 1 65 PRO HG2 1 68 TYR HB3 . . 5.130 3.892 3.565 4.048 . 0 0 "[ . 1 . 2]" 1
1312 1 65 PRO HG2 1 68 TYR QD . . 4.230 2.553 2.170 2.770 . 0 0 "[ . 1 . 2]" 1
1313 1 65 PRO HG2 1 68 TYR QE . . 4.460 4.377 4.233 4.461 0.001 14 0 "[ . 1 . 2]" 1
1314 1 65 PRO HG3 1 68 TYR HB2 . . 5.090 3.790 3.471 3.976 . 0 0 "[ . 1 . 2]" 1
1315 1 65 PRO HG3 1 68 TYR QD . . 5.100 2.995 2.249 3.344 . 0 0 "[ . 1 . 2]" 1
1316 1 65 PRO HG3 1 68 TYR QE . . 4.720 3.874 3.352 4.122 . 0 0 "[ . 1 . 2]" 1
1317 1 66 ALA H 1 66 ALA MB . . 2.830 2.217 2.065 2.271 . 0 0 "[ . 1 . 2]" 1
1318 1 66 ALA H 1 67 ASN H . . 3.390 2.576 2.499 2.657 . 0 0 "[ . 1 . 2]" 1
1319 1 66 ALA H 1 67 ASN QB . . 5.340 4.616 4.176 4.858 . 0 0 "[ . 1 . 2]" 1
1320 1 66 ALA H 1 68 TYR H . . 5.140 4.526 4.385 4.687 . 0 0 "[ . 1 . 2]" 1
1321 1 66 ALA HA 1 68 TYR H . . 4.630 4.117 3.808 4.361 . 0 0 "[ . 1 . 2]" 1
1322 1 66 ALA HA 1 69 VAL H . . 4.510 3.728 3.582 3.856 . 0 0 "[ . 1 . 2]" 1
1323 1 66 ALA HA 1 69 VAL MG1 . . 4.870 3.681 3.392 3.897 . 0 0 "[ . 1 . 2]" 1
1324 1 66 ALA HA 1 69 VAL MG2 . . 3.750 1.991 1.871 2.143 . 0 0 "[ . 1 . 2]" 1
1325 1 66 ALA MB 1 67 ASN H . . 3.280 3.266 3.212 3.288 0.008 20 0 "[ . 1 . 2]" 1
1326 1 66 ALA MB 1 67 ASN HA . . 4.820 4.015 3.958 4.039 . 0 0 "[ . 1 . 2]" 1
1327 1 66 ALA MB 1 68 TYR H . . 5.010 4.821 4.622 4.989 . 0 0 "[ . 1 . 2]" 1
1328 1 66 ALA MB 1 69 VAL MG2 . . 4.600 3.016 2.859 3.207 . 0 0 "[ . 1 . 2]" 1
1329 1 67 ASN H 1 67 ASN HB2 . . 3.890 2.544 2.213 3.627 . 0 0 "[ . 1 . 2]" 1
1330 1 67 ASN H 1 67 ASN QB . . 3.270 2.439 2.190 2.683 . 0 0 "[ . 1 . 2]" 1
1331 1 67 ASN H 1 67 ASN HB3 . . 3.890 3.537 2.439 3.633 . 0 0 "[ . 1 . 2]" 1
1332 1 67 ASN H 1 67 ASN HD21 . . 4.950 3.554 2.215 4.857 . 0 0 "[ . 1 . 2]" 1
1333 1 67 ASN H 1 67 ASN HD22 . . 4.950 4.143 3.168 4.954 0.004 5 0 "[ . 1 . 2]" 1
1334 1 67 ASN H 1 68 TYR H . . 3.320 2.397 2.309 2.448 . 0 0 "[ . 1 . 2]" 1
1335 1 67 ASN H 1 68 TYR QD . . 4.390 3.861 3.631 4.164 . 0 0 "[ . 1 . 2]" 1
1336 1 67 ASN H 1 69 VAL H . . 4.580 3.837 3.715 3.998 . 0 0 "[ . 1 . 2]" 1
1337 1 67 ASN HA 1 69 VAL H . . 3.880 3.509 3.444 3.597 . 0 0 "[ . 1 . 2]" 1
1338 1 67 ASN QB 1 67 ASN QD . . 3.080 2.157 2.063 2.440 . 0 0 "[ . 1 . 2]" 1
1339 1 67 ASN QB 1 68 TYR H . . 3.860 2.740 2.542 3.397 . 0 0 "[ . 1 . 2]" 1
1340 1 67 ASN QB 1 68 TYR QD . . 4.600 2.867 2.437 4.498 . 0 0 "[ . 1 . 2]" 1
1341 1 67 ASN QD 1 68 TYR H . . 5.340 4.474 3.555 5.307 . 0 0 "[ . 1 . 2]" 1
1342 1 68 TYR H 1 68 TYR HB2 . . 2.980 2.261 2.185 2.311 . 0 0 "[ . 1 . 2]" 1
1343 1 68 TYR H 1 68 TYR HB3 . . 3.730 3.542 3.493 3.574 . 0 0 "[ . 1 . 2]" 1
1344 1 68 TYR H 1 68 TYR QD . . 3.460 2.476 2.215 2.755 . 0 0 "[ . 1 . 2]" 1
1345 1 68 TYR H 1 69 VAL H . . 2.970 2.633 2.488 2.709 . 0 0 "[ . 1 . 2]" 1
1346 1 68 TYR H 1 69 VAL MG1 . . 4.020 3.647 3.373 4.021 0.001 5 0 "[ . 1 . 2]" 1
1347 1 68 TYR H 1 69 VAL MG2 . . 4.020 3.833 3.716 4.013 . 0 0 "[ . 1 . 2]" 1
1348 1 68 TYR HB2 1 69 VAL H . . 4.230 3.784 3.627 3.894 . 0 0 "[ . 1 . 2]" 1
1349 1 68 TYR HB2 1 69 VAL MG1 . . 4.160 3.137 2.954 3.411 . 0 0 "[ . 1 . 2]" 1
1350 1 68 TYR HB3 1 69 VAL H . . 4.620 4.209 4.029 4.304 . 0 0 "[ . 1 . 2]" 1
1351 1 68 TYR HB3 1 69 VAL MG1 . . 4.280 3.274 3.059 3.422 . 0 0 "[ . 1 . 2]" 1
1352 1 69 VAL H 1 69 VAL HB . . 4.170 3.923 3.854 3.970 . 0 0 "[ . 1 . 2]" 1
1353 1 69 VAL H 1 69 VAL MG1 . . 3.380 2.897 2.756 2.981 . 0 0 "[ . 1 . 2]" 1
1354 1 69 VAL H 1 69 VAL MG2 . . 2.960 2.395 2.145 2.478 . 0 0 "[ . 1 . 2]" 1
1355 1 69 VAL H 1 70 GLU H . . 4.640 4.421 4.396 4.446 . 0 0 "[ . 1 . 2]" 1
1356 1 69 VAL HA 1 69 VAL MG1 . . 3.400 2.410 2.286 2.522 . 0 0 "[ . 1 . 2]" 1
1357 1 69 VAL HA 1 70 GLU H . . 2.830 2.416 2.328 2.472 . 0 0 "[ . 1 . 2]" 1
1358 1 69 VAL HB 1 70 GLU H . . 2.950 2.403 2.255 2.605 . 0 0 "[ . 1 . 2]" 1
1359 1 69 VAL HB 1 70 GLU HB2 . . 5.500 5.330 5.155 5.474 . 0 0 "[ . 1 . 2]" 1
1360 1 69 VAL HB 1 70 GLU HB3 . . 5.500 5.190 4.898 5.379 . 0 0 "[ . 1 . 2]" 1
1361 1 69 VAL MG1 1 70 GLU H . . 3.880 3.789 3.682 3.876 . 0 0 "[ . 1 . 2]" 1
1362 1 69 VAL MG2 1 70 GLU H . . 3.990 3.239 3.082 3.404 . 0 0 "[ . 1 . 2]" 1
1363 1 69 VAL MG2 1 71 LEU HG . . 5.240 4.175 3.731 4.756 . 0 0 "[ . 1 . 2]" 1
1364 1 70 GLU H 1 70 GLU HB2 . . 3.960 3.117 2.976 3.260 . 0 0 "[ . 1 . 2]" 1
1365 1 70 GLU H 1 70 GLU HB3 . . 3.290 2.795 2.647 2.941 . 0 0 "[ . 1 . 2]" 1
1366 1 70 GLU H 1 70 GLU QG . . 4.670 4.149 4.035 4.283 . 0 0 "[ . 1 . 2]" 1
1367 1 70 GLU H 1 71 LEU H . . 4.540 4.283 4.014 4.420 . 0 0 "[ . 1 . 2]" 1
1368 1 70 GLU HA 1 71 LEU H . . 2.630 2.170 2.139 2.248 . 0 0 "[ . 1 . 2]" 1
1369 1 70 GLU HB2 1 71 LEU H . . 4.850 4.246 4.055 4.407 . 0 0 "[ . 1 . 2]" 1
1370 1 70 GLU HB3 1 71 LEU H . . 4.900 4.084 3.745 4.378 . 0 0 "[ . 1 . 2]" 1
1371 1 70 GLU QG 1 71 LEU H . . 3.810 2.698 2.364 3.071 . 0 0 "[ . 1 . 2]" 1
1372 1 70 GLU HG2 1 71 LEU H . . 4.350 3.575 2.470 4.350 0.000 6 0 "[ . 1 . 2]" 1
1373 1 70 GLU HG3 1 71 LEU H . . 4.350 3.027 2.379 4.001 . 0 0 "[ . 1 . 2]" 1
1374 1 71 LEU H 1 71 LEU HB2 . . 2.900 2.383 2.255 2.551 . 0 0 "[ . 1 . 2]" 1
1375 1 71 LEU H 1 71 LEU HB3 . . 3.650 3.571 3.532 3.595 . 0 0 "[ . 1 . 2]" 1
1376 1 71 LEU H 1 71 LEU MD1 . . 3.940 3.526 3.116 3.710 . 0 0 "[ . 1 . 2]" 1
1377 1 71 LEU H 1 71 LEU MD2 . . 3.940 3.660 3.368 3.879 . 0 0 "[ . 1 . 2]" 1
1378 1 71 LEU H 1 71 LEU HG . . 2.980 2.477 2.151 2.736 . 0 0 "[ . 1 . 2]" 1
1379 1 71 LEU H 1 72 ARG H . . 4.630 4.540 4.466 4.628 . 0 0 "[ . 1 . 2]" 1
1380 1 71 LEU HA 1 71 LEU MD1 . . 4.470 3.877 3.832 3.925 . 0 0 "[ . 1 . 2]" 1
1381 1 71 LEU HA 1 71 LEU MD2 . . 3.110 2.122 1.976 2.429 . 0 0 "[ . 1 . 2]" 1
1382 1 71 LEU HA 1 71 LEU HG . . 4.200 2.911 2.767 3.094 . 0 0 "[ . 1 . 2]" 1
1383 1 71 LEU HA 1 72 ARG H . . 2.670 2.161 2.140 2.234 . 0 0 "[ . 1 . 2]" 1
1384 1 71 LEU HB2 1 71 LEU MD1 . . 3.250 2.225 2.115 2.345 . 0 0 "[ . 1 . 2]" 1
1385 1 71 LEU HB2 1 72 ARG H . . 4.690 4.242 3.985 4.415 . 0 0 "[ . 1 . 2]" 1
1386 1 71 LEU HB3 1 71 LEU MD1 . . 3.210 2.447 2.341 2.588 . 0 0 "[ . 1 . 2]" 1
1387 1 71 LEU HB3 1 71 LEU MD2 . . 3.200 2.285 2.138 2.373 . 0 0 "[ . 1 . 2]" 1
1388 1 71 LEU HB3 1 72 ARG H . . 4.160 3.264 2.878 3.515 . 0 0 "[ . 1 . 2]" 1
1389 1 71 LEU MD1 1 72 ARG H . . 5.400 5.084 4.851 5.292 . 0 0 "[ . 1 . 2]" 1
1390 1 71 LEU MD2 1 72 ARG H . . 3.690 3.364 3.042 3.643 . 0 0 "[ . 1 . 2]" 1
1391 1 71 LEU HG 1 72 ARG H . . 5.170 4.943 4.800 5.104 . 0 0 "[ . 1 . 2]" 1
1392 1 72 ARG H 1 72 ARG QB . . 3.080 2.342 2.196 2.615 . 0 0 "[ . 1 . 2]" 1
1393 1 72 ARG H 1 72 ARG QD . . 4.720 4.164 3.653 4.675 . 0 0 "[ . 1 . 2]" 1
1394 1 72 ARG H 1 72 ARG QG . . 3.310 2.664 2.212 3.184 . 0 0 "[ . 1 . 2]" 1
1395 1 72 ARG HA 1 72 ARG QD . . 4.210 3.631 2.110 4.208 . 0 0 "[ . 1 . 2]" 1
1396 1 72 ARG HA 1 72 ARG QG . . 3.590 2.417 2.141 2.730 . 0 0 "[ . 1 . 2]" 1
1397 1 72 ARG HA 1 73 GLN H . . 3.290 2.379 2.141 3.291 0.001 17 0 "[ . 1 . 2]" 1
1398 1 72 ARG QB 1 73 GLN H . . 3.940 2.892 2.203 3.767 . 0 0 "[ . 1 . 2]" 1
1399 1 72 ARG QD 1 73 GLN H . . 5.500 4.598 3.012 5.459 . 0 0 "[ . 1 . 2]" 1
1400 1 72 ARG QG 1 73 GLN H . . 4.480 4.022 3.404 4.414 . 0 0 "[ . 1 . 2]" 1
1401 1 73 GLN H 1 73 GLN QB . . 3.590 2.536 2.161 3.320 . 0 0 "[ . 1 . 2]" 1
1402 1 73 GLN H 1 73 GLN QG . . 4.460 3.250 1.921 4.249 . 0 0 "[ . 1 . 2]" 1
1403 1 74 SER QB 1 75 GLY H . . 4.900 3.289 2.236 4.052 . 0 0 "[ . 1 . 2]" 1
1404 1 75 GLY QA 1 76 PRO QD . . 3.000 1.991 1.843 2.154 . 0 0 "[ . 1 . 2]" 1
1405 1 76 PRO QB 1 77 SER H . . 3.920 3.313 2.235 3.796 . 0 0 "[ . 1 . 2]" 1
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