NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
625410 |
6b1g   |
30345 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6b1g
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 109
_Distance_constraint_stats_list.Viol_count 284
_Distance_constraint_stats_list.Viol_total 591.906
_Distance_constraint_stats_list.Viol_max 0.363
_Distance_constraint_stats_list.Viol_rms 0.0467
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.1042
_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 7 TYR 0.770 0.179 2 0 "[ . 1 . 2]"
1 17 GLU 1.796 0.303 4 0 "[ . 1 . 2]"
1 19 ILE 8.359 0.317 12 0 "[ . 1 . 2]"
1 20 GLU 0.063 0.063 15 0 "[ . 1 . 2]"
1 21 ILE 0.159 0.115 8 0 "[ . 1 . 2]"
1 22 PRO 0.853 0.178 12 0 "[ . 1 . 2]"
1 30 LEU 5.357 0.274 6 0 "[ . 1 . 2]"
1 32 SER 0.128 0.048 19 0 "[ . 1 . 2]"
1 33 THR 0.003 0.003 9 0 "[ . 1 . 2]"
1 36 ALA 5.385 0.236 8 0 "[ . 1 . 2]"
1 37 GLN 4.586 0.363 5 0 "[ . 1 . 2]"
1 38 PHE 0.153 0.153 8 0 "[ . 1 . 2]"
1 39 PRO 1.984 0.213 15 0 "[ . 1 . 2]"
2 42 CYS 2.091 0.175 11 0 "[ . 1 . 2]"
2 43 GLY 2.719 0.236 8 0 "[ . 1 . 2]"
2 44 LEU 0.664 0.116 11 0 "[ . 1 . 2]"
2 45 ARG 2.034 0.253 8 0 "[ . 1 . 2]"
2 46 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 CYS 5.741 0.317 12 0 "[ . 1 . 2]"
2 54 MET 0.480 0.108 14 0 "[ . 1 . 2]"
2 55 ARG 1.240 0.179 2 0 "[ . 1 . 2]"
2 56 GLY 2.098 0.278 9 0 "[ . 1 . 2]"
2 57 VAL 0.159 0.115 8 0 "[ . 1 . 2]"
2 58 ARG 0.248 0.127 12 0 "[ . 1 . 2]"
2 59 LEU 5.617 0.274 6 0 "[ . 1 . 2]"
2 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 ASN 4.520 0.363 5 0 "[ . 1 . 2]"
2 81 PRO 0.855 0.213 15 0 "[ . 1 . 2]"
2 82 LYS 0.561 0.118 15 0 "[ . 1 . 2]"
2 83 ASP 0.569 0.191 19 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 19 ILE HA 2 54 MET H 3.500 . 3.500 2.938 2.460 3.535 0.035 14 0 "[ . 1 . 2]" 1
2 1 19 ILE MG 2 45 ARG HD2 4.500 . 4.500 3.621 3.000 4.585 0.085 13 0 "[ . 1 . 2]" 1
3 1 30 LEU HG 2 59 LEU HB2 6.000 . 6.000 6.219 6.146 6.274 0.274 6 0 "[ . 1 . 2]" 1
4 1 30 LEU QD 2 60 VAL HB 3.500 . 3.500 2.062 1.931 2.367 . 0 0 "[ . 1 . 2]" 1
5 1 32 SER HB2 2 59 LEU HG 3.500 . 3.500 3.394 3.204 3.548 0.048 19 0 "[ . 1 . 2]" 1
6 1 32 SER HB3 2 59 LEU HG 3.500 . 3.500 2.648 2.291 3.039 . 0 0 "[ . 1 . 2]" 1
7 1 32 SER QB 2 59 LEU HG 3.500 . 3.500 2.553 2.251 2.867 . 0 0 "[ . 1 . 2]" 1
8 1 32 SER QB 2 59 LEU QB 3.500 . 3.500 2.807 2.563 3.149 . 0 0 "[ . 1 . 2]" 1
9 1 36 ALA HA 2 42 CYS HB2 3.500 . 3.500 3.558 3.252 3.662 0.162 12 0 "[ . 1 . 2]" 1
10 1 36 ALA MB 2 42 CYS HB2 4.500 . 4.500 4.391 3.851 4.664 0.164 12 0 "[ . 1 . 2]" 1
11 1 37 GLN HA 2 79 ASN HB2 4.500 . 4.500 3.975 3.595 4.401 . 0 0 "[ . 1 . 2]" 1
12 1 37 GLN HA 2 79 ASN QD 3.500 . 3.500 1.957 1.634 2.619 0.166 19 0 "[ . 1 . 2]" 1
13 1 39 PRO QG 2 81 PRO QB 3.500 . 3.500 3.302 2.294 3.594 0.094 17 0 "[ . 1 . 2]" 1
14 1 39 PRO QG 2 82 LYS QG 3.500 . 3.500 2.662 1.857 3.535 0.035 13 0 "[ . 1 . 2]" 1
15 1 7 TYR QE 2 55 ARG QD 3.500 . 3.500 2.956 1.969 3.551 0.051 6 0 "[ . 1 . 2]" 1
16 1 19 ILE HA 2 54 MET QB 4.500 . 4.500 3.537 2.867 4.608 0.108 14 0 "[ . 1 . 2]" 1
17 1 19 ILE HA 2 55 ARG H 6.000 . 6.000 5.178 4.449 5.666 . 0 0 "[ . 1 . 2]" 1
18 1 19 ILE MD 2 45 ARG QD 4.500 . 4.500 3.292 2.532 4.635 0.135 8 0 "[ . 1 . 2]" 1
19 1 19 ILE MG 2 45 ARG HD3 4.500 . 4.500 4.002 3.566 4.478 . 0 0 "[ . 1 . 2]" 1
20 1 19 ILE MG 2 45 ARG QD 4.500 . 4.500 3.291 2.861 3.613 . 0 0 "[ . 1 . 2]" 1
21 1 19 ILE MG 2 54 MET QB 4.500 . 4.500 2.935 2.151 3.605 . 0 0 "[ . 1 . 2]" 1
22 1 22 PRO QB 2 58 ARG H 4.500 . 4.500 3.879 3.162 4.581 0.081 15 0 "[ . 1 . 2]" 1
23 1 22 PRO QB 2 58 ARG QG 4.500 . 4.500 3.562 2.123 4.627 0.127 12 0 "[ . 1 . 2]" 1
24 1 30 LEU HG 2 59 LEU H 4.500 . 4.500 4.541 4.356 4.618 0.118 5 0 "[ . 1 . 2]" 1
25 1 30 LEU QB 2 59 LEU H 4.500 . 4.500 4.098 3.917 4.242 . 0 0 "[ . 1 . 2]" 1
26 1 30 LEU QD 2 59 LEU H 4.500 . 4.500 3.894 3.698 4.027 . 0 0 "[ . 1 . 2]" 1
27 1 32 SER QB 2 59 LEU QD 4.500 . 4.500 2.698 2.479 2.937 . 0 0 "[ . 1 . 2]" 1
28 1 33 THR HA 2 59 LEU QD 4.500 . 4.500 3.337 3.147 3.560 . 0 0 "[ . 1 . 2]" 1
29 1 33 THR HB 2 59 LEU H 4.500 . 4.500 3.764 3.638 3.981 . 0 0 "[ . 1 . 2]" 1
30 1 33 THR MG 2 58 ARG H 4.500 . 4.500 3.787 3.648 3.938 . 0 0 "[ . 1 . 2]" 1
31 1 33 THR MG 2 59 LEU H 4.500 . 4.500 2.705 2.406 3.024 . 0 0 "[ . 1 . 2]" 1
32 1 36 ALA HA 2 42 CYS HB3 4.500 . 4.500 4.032 3.737 4.675 0.175 11 0 "[ . 1 . 2]" 1
33 1 36 ALA HA 2 42 CYS QB 4.500 . 4.500 3.328 3.177 3.486 . 0 0 "[ . 1 . 2]" 1
34 1 36 ALA HA 2 43 GLY H 4.500 . 4.500 4.627 4.433 4.736 0.236 8 0 "[ . 1 . 2]" 1
35 1 36 ALA MB 2 59 LEU QD 4.500 . 4.500 1.946 1.779 2.242 0.021 19 0 "[ . 1 . 2]" 1
36 1 37 GLN H 2 79 ASN HD22 4.500 . 4.500 4.681 4.263 4.863 0.363 5 0 "[ . 1 . 2]" 1
37 1 39 PRO QB 2 81 PRO QG 4.500 . 4.500 3.919 3.434 4.255 . 0 0 "[ . 1 . 2]" 1
38 1 39 PRO QB 2 82 LYS H 4.500 . 4.500 2.201 1.825 2.939 . 0 0 "[ . 1 . 2]" 1
39 1 39 PRO QB 2 82 LYS QE 4.500 . 4.500 3.307 2.174 4.618 0.118 15 0 "[ . 1 . 2]" 1
40 1 39 PRO QD 2 82 LYS H 4.500 . 4.500 4.173 3.496 4.601 0.101 16 0 "[ . 1 . 2]" 1
41 1 39 PRO QG 2 83 ASP H 4.500 . 4.500 4.107 3.270 4.691 0.191 19 0 "[ . 1 . 2]" 1
42 1 7 TYR QE 2 55 ARG QB 4.500 . 4.500 3.751 2.465 4.679 0.179 2 0 "[ . 1 . 2]" 1
43 1 17 GLU QG 2 53 CYS QB 6.000 . 6.000 5.241 3.888 6.071 0.071 9 0 "[ . 1 . 2]" 1
44 1 19 ILE HA 2 56 GLY H 6.000 . 6.000 5.219 4.888 5.946 . 0 0 "[ . 1 . 2]" 1
45 1 19 ILE HB 2 56 GLY H 6.000 . 6.000 5.730 5.580 5.919 . 0 0 "[ . 1 . 2]" 1
46 1 19 ILE QG 2 45 ARG QD 6.000 . 6.000 4.603 4.073 5.292 . 0 0 "[ . 1 . 2]" 1
47 1 19 ILE QG 2 54 MET QB 6.000 . 6.000 3.909 3.708 4.310 . 0 0 "[ . 1 . 2]" 1
48 1 19 ILE MG 2 55 ARG H 6.000 . 6.000 4.635 4.076 4.895 . 0 0 "[ . 1 . 2]" 1
49 1 20 GLU H 2 55 ARG QD 6.000 . 6.000 5.111 3.977 6.063 0.063 15 0 "[ . 1 . 2]" 1
50 1 30 LEU HG 2 59 LEU HB3 6.000 . 6.000 4.601 4.505 4.664 . 0 0 "[ . 1 . 2]" 1
51 1 30 LEU HG 2 59 LEU QB 6.000 . 6.000 4.486 4.399 4.544 . 0 0 "[ . 1 . 2]" 1
52 1 30 LEU HG 2 60 VAL H 6.000 . 6.000 5.692 5.505 5.854 . 0 0 "[ . 1 . 2]" 1
53 1 30 LEU QB 2 58 ARG QB 6.000 . 6.000 5.038 4.336 5.671 . 0 0 "[ . 1 . 2]" 1
54 1 32 SER HA 2 59 LEU QD 6.000 . 6.000 3.508 3.252 3.711 . 0 0 "[ . 1 . 2]" 1
55 1 33 THR H 2 59 LEU HA 6.000 . 6.000 5.758 5.500 6.003 0.003 9 0 "[ . 1 . 2]" 1
56 1 33 THR MG 2 58 ARG QG 6.000 . 6.000 3.340 2.845 4.367 . 0 0 "[ . 1 . 2]" 1
57 1 33 THR MG 2 59 LEU QB 6.000 . 6.000 3.364 3.114 3.682 . 0 0 "[ . 1 . 2]" 1
58 1 36 ALA H 2 59 LEU MD2 6.000 . 6.000 3.378 3.180 3.530 . 0 0 "[ . 1 . 2]" 1
59 1 36 ALA MB 2 42 CYS HB3 6.000 . 6.000 4.363 3.993 5.278 . 0 0 "[ . 1 . 2]" 1
60 1 36 ALA MB 2 43 GLY H 6.000 . 6.000 3.682 3.330 4.032 . 0 0 "[ . 1 . 2]" 1
61 1 37 GLN HA 2 79 ASN HB3 6.000 . 6.000 3.043 2.649 3.605 . 0 0 "[ . 1 . 2]" 1
62 1 37 GLN HA 2 79 ASN QB 6.000 . 6.000 2.940 2.601 3.440 . 0 0 "[ . 1 . 2]" 1
63 1 37 GLN H 2 79 ASN HD21 6.000 . 6.000 4.737 3.633 5.167 . 0 0 "[ . 1 . 2]" 1
64 1 37 GLN QB 2 79 ASN QD 6.000 . 6.000 2.393 1.967 3.482 . 0 0 "[ . 1 . 2]" 1
65 1 37 GLN QG 2 79 ASN QD 6.000 . 6.000 3.226 1.742 4.387 0.058 10 0 "[ . 1 . 2]" 1
66 1 38 PHE H 2 79 ASN HD22 6.000 . 6.000 5.478 4.878 5.923 . 0 0 "[ . 1 . 2]" 1
67 1 38 PHE H 2 79 ASN QD 6.000 . 6.000 4.783 4.039 5.372 . 0 0 "[ . 1 . 2]" 1
68 1 39 PRO HA 2 81 PRO QB 6.000 . 6.000 3.775 3.167 4.939 . 0 0 "[ . 1 . 2]" 1
69 1 39 PRO QD 2 79 ASN QD 6.000 . 6.000 4.243 2.965 5.381 . 0 0 "[ . 1 . 2]" 1
70 1 7 TYR QE 2 56 GLY H 6.000 . 6.000 4.705 3.077 6.136 0.136 6 0 "[ . 1 . 2]" 1
71 1 17 GLU QG 2 53 CYS H 6.000 . 6.000 5.870 4.959 6.303 0.303 4 0 "[ . 1 . 2]" 1
72 1 17 GLU QG 2 54 MET H 6.000 . 6.000 5.052 3.308 6.023 0.023 9 0 "[ . 1 . 2]" 1
73 1 19 ILE HA 2 53 CYS H 6.000 . 6.000 6.196 5.955 6.317 0.317 12 0 "[ . 1 . 2]" 1
74 1 19 ILE HB 2 45 ARG QD 6.000 . 6.000 5.940 5.389 6.253 0.253 8 0 "[ . 1 . 2]" 1
75 1 19 ILE HB 2 53 CYS QB 6.000 . 6.000 5.482 5.282 5.801 . 0 0 "[ . 1 . 2]" 1
76 1 19 ILE HB 2 54 MET H 6.000 . 6.000 5.721 5.405 6.079 0.079 3 0 "[ . 1 . 2]" 1
77 1 19 ILE HG12 2 54 MET H 6.000 . 6.000 5.011 4.631 5.692 . 0 0 "[ . 1 . 2]" 1
78 1 19 ILE HG13 2 54 MET H 6.000 . 6.000 5.480 4.802 5.794 . 0 0 "[ . 1 . 2]" 1
79 1 19 ILE QG 2 54 MET H 6.000 . 6.000 4.631 4.304 5.096 . 0 0 "[ . 1 . 2]" 1
80 1 19 ILE QG 2 56 GLY H 6.000 . 6.000 6.088 5.857 6.278 0.278 9 0 "[ . 1 . 2]" 1
81 1 19 ILE MG 2 45 ARG HA 6.000 . 6.000 5.748 5.072 6.126 0.126 2 0 "[ . 1 . 2]" 1
82 1 19 ILE MG 2 45 ARG QB 6.000 . 6.000 4.134 3.670 4.914 . 0 0 "[ . 1 . 2]" 1
83 1 19 ILE MG 2 46 TYR H 6.000 . 6.000 5.612 5.355 5.803 . 0 0 "[ . 1 . 2]" 1
84 1 19 ILE MG 2 54 MET H . . 4.180 3.947 3.466 4.232 0.052 17 0 "[ . 1 . 2]" 1
85 1 21 ILE MD 2 56 GLY QA 6.000 . 6.000 3.602 3.147 4.560 . 0 0 "[ . 1 . 2]" 1
86 1 21 ILE MD 2 57 VAL H 6.000 . 6.000 5.482 5.057 6.115 0.115 8 0 "[ . 1 . 2]" 1
87 1 22 PRO QB 2 55 ARG QB 6.000 . 6.000 5.732 4.911 6.178 0.178 12 0 "[ . 1 . 2]" 1
88 1 22 PRO QB 2 58 ARG QD 6.000 . 6.000 3.655 2.639 4.988 . 0 0 "[ . 1 . 2]" 1
89 1 30 LEU QB 2 59 LEU QD 6.000 . 6.000 5.771 5.632 5.908 . 0 0 "[ . 1 . 2]" 1
90 1 30 LEU QD 2 60 VAL H 6.000 . 6.000 4.089 4.008 4.232 . 0 0 "[ . 1 . 2]" 1
91 1 30 LEU QD 2 61 GLU H 6.000 . 6.000 3.422 3.126 3.819 . 0 0 "[ . 1 . 2]" 1
92 1 32 SER H 2 59 LEU QD 6.000 . 6.000 5.164 5.000 5.307 . 0 0 "[ . 1 . 2]" 1
93 1 33 THR H 2 59 LEU QD . . 4.790 4.334 4.219 4.456 . 0 0 "[ . 1 . 2]" 1
94 1 33 THR MG 2 57 VAL MG1 6.000 . 6.000 5.182 4.867 5.364 . 0 0 "[ . 1 . 2]" 1
95 1 33 THR MG 2 57 VAL MG2 6.000 . 6.000 4.062 3.821 4.222 . 0 0 "[ . 1 . 2]" 1
96 1 33 THR MG 2 58 ARG QB 6.000 . 6.000 3.636 3.102 4.172 . 0 0 "[ . 1 . 2]" 1
97 1 33 THR MG 2 59 LEU QD 6.000 . 6.000 4.396 4.219 4.642 . 0 0 "[ . 1 . 2]" 1
98 1 36 ALA HA 2 44 LEU H 6.000 . 6.000 5.916 5.184 6.116 0.116 11 0 "[ . 1 . 2]" 1
99 1 36 ALA H 2 59 LEU HG 6.000 . 6.000 5.875 5.635 6.030 0.030 14 0 "[ . 1 . 2]" 1
100 1 36 ALA H 2 59 LEU MD1 6.000 . 6.000 5.817 5.562 6.011 0.011 4 0 "[ . 1 . 2]" 1
101 1 36 ALA H 2 59 LEU QD 6.000 . 6.000 3.357 3.162 3.505 . 0 0 "[ . 1 . 2]" 1
102 1 36 ALA MB 2 43 GLY QA 6.000 . 6.000 1.813 1.768 1.877 0.032 2 0 "[ . 1 . 2]" 1
103 1 37 GLN H 2 56 GLY QA 6.000 . 6.000 5.418 4.594 5.807 . 0 0 "[ . 1 . 2]" 1
104 1 37 GLN H 2 59 LEU QD 6.000 . 6.000 4.924 4.718 5.168 . 0 0 "[ . 1 . 2]" 1
105 1 38 PHE H 2 79 ASN HD21 6.000 . 6.000 5.292 4.310 6.153 0.153 8 0 "[ . 1 . 2]" 1
106 1 39 PRO HA 2 81 PRO QG 6.000 . 6.000 5.556 5.032 6.062 0.062 6 0 "[ . 1 . 2]" 1
107 1 39 PRO HA 2 82 LYS H 6.000 . 6.000 4.727 4.274 5.377 . 0 0 "[ . 1 . 2]" 1
108 1 39 PRO QD 2 81 PRO QG 6.000 . 6.000 5.733 4.946 6.213 0.213 15 0 "[ . 1 . 2]" 1
109 1 37 GLN QB 2 44 LEU H 6.000 . 6.000 5.483 4.388 6.096 0.096 9 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2984
_Distance_constraint_stats_list.Viol_count 6454
_Distance_constraint_stats_list.Viol_total 9033.830
_Distance_constraint_stats_list.Viol_max 0.652
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0700
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 MET 0.580 0.378 20 0 "[ . 1 . 2]"
1 5 SER 2.631 0.378 20 0 "[ . 1 . 2]"
1 6 GLU 3.019 0.253 2 0 "[ . 1 . 2]"
1 7 TYR 10.113 0.339 12 0 "[ . 1 . 2]"
1 8 ILE 15.071 0.339 12 0 "[ . 1 . 2]"
1 9 ARG 4.048 0.299 12 0 "[ . 1 . 2]"
1 10 VAL 7.021 0.220 7 0 "[ . 1 . 2]"
1 11 THR 5.275 0.210 3 0 "[ . 1 . 2]"
1 12 GLU 5.997 0.233 17 0 "[ . 1 . 2]"
1 13 ASP 4.254 0.327 5 0 "[ . 1 . 2]"
1 14 GLU 1.824 0.160 7 0 "[ . 1 . 2]"
1 15 ASN 5.637 0.327 5 0 "[ . 1 . 2]"
1 16 ASP 5.844 0.402 20 0 "[ . 1 . 2]"
1 17 GLU 8.662 0.402 20 0 "[ . 1 . 2]"
1 18 PRO 7.444 0.229 3 0 "[ . 1 . 2]"
1 19 ILE 7.695 0.210 3 0 "[ . 1 . 2]"
1 21 ILE 3.543 0.220 16 0 "[ . 1 . 2]"
1 22 PRO 0.376 0.227 14 0 "[ . 1 . 2]"
1 23 SER 3.177 0.158 20 0 "[ . 1 . 2]"
1 24 GLU 2.772 0.318 1 0 "[ . 1 . 2]"
1 25 ASP 3.374 0.318 1 0 "[ . 1 . 2]"
1 26 ASP 0.290 0.127 8 0 "[ . 1 . 2]"
1 27 GLY 3.303 0.195 2 0 "[ . 1 . 2]"
1 28 THR 5.927 0.295 16 0 "[ . 1 . 2]"
1 29 VAL 4.153 0.224 2 0 "[ . 1 . 2]"
1 30 LEU 3.309 0.236 6 0 "[ . 1 . 2]"
1 31 LEU 0.949 0.090 20 0 "[ . 1 . 2]"
1 32 SER 1.839 0.134 3 0 "[ . 1 . 2]"
1 33 THR 0.022 0.022 8 0 "[ . 1 . 2]"
1 34 VAL 4.983 0.652 19 4 "[* . - * . +2]"
1 35 THR 3.720 0.136 6 0 "[ . 1 . 2]"
1 36 ALA 2.750 0.136 6 0 "[ . 1 . 2]"
1 37 GLN 2.825 0.413 6 0 "[ . 1 . 2]"
1 38 PHE 5.526 0.290 1 0 "[ . 1 . 2]"
1 39 PRO 1.195 0.094 11 0 "[ . 1 . 2]"
1 40 GLY 1.967 0.128 3 0 "[ . 1 . 2]"
1 41 ALA 2.262 0.148 18 0 "[ . 1 . 2]"
1 42 CYS 0.431 0.099 18 0 "[ . 1 . 2]"
1 43 GLY 3.900 0.241 9 0 "[ . 1 . 2]"
1 44 LEU 11.036 0.294 3 0 "[ . 1 . 2]"
1 45 ARG 11.128 0.294 3 0 "[ . 1 . 2]"
1 46 TYR 7.101 0.227 11 0 "[ . 1 . 2]"
1 47 ARG 10.603 0.244 1 0 "[ . 1 . 2]"
1 48 ASN 5.312 0.228 17 0 "[ . 1 . 2]"
1 49 PRO 1.885 0.085 7 0 "[ . 1 . 2]"
1 50 VAL 4.287 0.306 8 0 "[ . 1 . 2]"
1 51 GLU 1.632 0.165 3 0 "[ . 1 . 2]"
1 52 GLN 6.661 0.306 8 0 "[ . 1 . 2]"
1 53 CYS 1.467 0.077 6 0 "[ . 1 . 2]"
1 54 MET 4.051 0.404 20 0 "[ . 1 . 2]"
1 55 ARG 9.541 0.472 4 0 "[ . 1 . 2]"
1 56 GLY 3.866 0.407 15 0 "[ . 1 . 2]"
1 57 VAL 12.384 0.293 4 0 "[ . 1 . 2]"
1 58 ARG 6.233 0.338 3 0 "[ . 1 . 2]"
1 59 LEU 8.487 0.377 10 0 "[ . 1 . 2]"
1 60 VAL 7.359 0.377 10 0 "[ . 1 . 2]"
1 61 GLU 1.605 0.173 3 0 "[ . 1 . 2]"
1 62 GLY 5.291 0.181 20 0 "[ . 1 . 2]"
1 63 ILE 10.441 0.289 3 0 "[ . 1 . 2]"
1 64 LEU 5.900 0.236 6 0 "[ . 1 . 2]"
1 65 HIS 8.172 0.179 18 0 "[ . 1 . 2]"
1 66 ALA 11.192 0.295 16 0 "[ . 1 . 2]"
1 67 PRO 4.664 0.165 1 0 "[ . 1 . 2]"
1 68 ASP 2.211 0.213 17 0 "[ . 1 . 2]"
1 69 ALA 1.985 0.192 13 0 "[ . 1 . 2]"
1 70 GLY 1.182 0.192 13 0 "[ . 1 . 2]"
1 71 TRP 24.963 0.310 15 0 "[ . 1 . 2]"
1 72 GLY 2.077 0.142 16 0 "[ . 1 . 2]"
1 73 ASN 2.444 0.114 11 0 "[ . 1 . 2]"
1 74 LEU 3.315 0.110 3 0 "[ . 1 . 2]"
1 75 VAL 2.333 0.109 4 0 "[ . 1 . 2]"
1 76 TYR 3.490 0.091 14 0 "[ . 1 . 2]"
1 77 VAL 3.591 0.213 18 0 "[ . 1 . 2]"
1 78 VAL 25.919 0.652 19 4 "[* . - * . +2]"
1 79 ASN 11.749 0.384 4 0 "[ . 1 . 2]"
1 80 TYR 7.023 0.180 9 0 "[ . 1 . 2]"
1 81 PRO 5.285 0.243 6 0 "[ . 1 . 2]"
1 82 LYS 6.335 0.243 6 0 "[ . 1 . 2]"
1 83 ASP 0.972 0.134 6 0 "[ . 1 . 2]"
2 4 MET 0.567 0.282 20 0 "[ . 1 . 2]"
2 5 SER 10.655 0.476 5 0 "[ . 1 . 2]"
2 6 GLU 8.066 0.308 11 0 "[ . 1 . 2]"
2 7 ARG 20.247 0.476 5 0 "[ . 1 . 2]"
2 8 ILE 18.040 0.338 9 0 "[ . 1 . 2]"
2 9 ARG 3.743 0.236 14 0 "[ . 1 . 2]"
2 10 VAL 8.840 0.236 14 0 "[ . 1 . 2]"
2 11 THR 6.229 0.352 8 0 "[ . 1 . 2]"
2 12 GLU 6.547 0.353 12 0 "[ . 1 . 2]"
2 13 ASP 0.660 0.126 19 0 "[ . 1 . 2]"
2 14 GLU 6.113 0.353 12 0 "[ . 1 . 2]"
2 15 ASN 3.630 0.291 17 0 "[ . 1 . 2]"
2 16 ASP 4.320 0.183 15 0 "[ . 1 . 2]"
2 17 GLU 5.906 0.215 9 0 "[ . 1 . 2]"
2 18 PRO 5.972 0.224 17 0 "[ . 1 . 2]"
2 19 ILE 12.284 0.352 8 0 "[ . 1 . 2]"
2 20 GLU 7.115 0.225 1 0 "[ . 1 . 2]"
2 21 ILE 10.716 0.196 16 0 "[ . 1 . 2]"
2 22 PRO 5.648 0.324 19 0 "[ . 1 . 2]"
2 23 SER 7.588 0.315 12 0 "[ . 1 . 2]"
2 24 GLU 3.789 0.209 13 0 "[ . 1 . 2]"
2 25 ASP 0.481 0.109 3 0 "[ . 1 . 2]"
2 26 ASP 2.519 0.119 6 0 "[ . 1 . 2]"
2 27 GLY 0.137 0.036 3 0 "[ . 1 . 2]"
2 28 THR 2.981 0.126 8 0 "[ . 1 . 2]"
2 29 VAL 7.915 0.137 3 0 "[ . 1 . 2]"
2 30 LEU 7.276 0.233 2 0 "[ . 1 . 2]"
2 31 LEU 12.474 0.290 5 0 "[ . 1 . 2]"
2 32 SER 5.581 0.209 5 0 "[ . 1 . 2]"
2 33 THR 4.733 0.211 2 0 "[ . 1 . 2]"
2 34 VAL 5.529 0.195 10 0 "[ . 1 . 2]"
2 35 THR 5.543 0.250 18 0 "[ . 1 . 2]"
2 36 ALA 6.541 0.309 3 0 "[ . 1 . 2]"
2 37 GLN 9.874 0.568 6 1 "[ .+ 1 . 2]"
2 38 PHE 11.632 0.568 6 1 "[ .+ 1 . 2]"
2 39 PRO 0.421 0.260 12 0 "[ . 1 . 2]"
2 40 GLY 7.212 0.244 8 0 "[ . 1 . 2]"
2 41 ALA 1.895 0.100 2 0 "[ . 1 . 2]"
2 42 CYS 3.779 0.288 18 0 "[ . 1 . 2]"
2 43 GLY 1.084 0.108 19 0 "[ . 1 . 2]"
2 44 LEU 3.168 0.183 12 0 "[ . 1 . 2]"
2 45 ARG 10.395 0.448 17 0 "[ . 1 . 2]"
2 46 TYR 4.025 0.175 3 0 "[ . 1 . 2]"
2 47 ARG 0.675 0.329 2 0 "[ . 1 . 2]"
2 48 ASN 7.572 0.329 2 0 "[ . 1 . 2]"
2 49 PRO 2.929 0.218 16 0 "[ . 1 . 2]"
2 50 VAL 2.714 0.220 9 0 "[ . 1 . 2]"
2 51 SER 2.283 0.218 10 0 "[ . 1 . 2]"
2 52 GLN 5.569 0.218 16 0 "[ . 1 . 2]"
2 53 CYS 3.603 0.192 4 0 "[ . 1 . 2]"
2 54 MET 2.267 0.312 14 0 "[ . 1 . 2]"
2 55 ARG 4.557 0.448 17 0 "[ . 1 . 2]"
2 56 GLY 2.377 0.288 15 0 "[ . 1 . 2]"
2 57 VAL 1.933 0.129 12 0 "[ . 1 . 2]"
2 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LEU 1.690 0.132 8 0 "[ . 1 . 2]"
2 60 VAL 3.503 0.174 7 0 "[ . 1 . 2]"
2 61 GLU 1.093 0.174 7 0 "[ . 1 . 2]"
2 62 GLY 5.067 0.168 10 0 "[ . 1 . 2]"
2 63 ILE 7.187 0.290 5 0 "[ . 1 . 2]"
2 64 LEU 6.835 0.211 10 0 "[ . 1 . 2]"
2 65 HIS 1.030 0.080 8 0 "[ . 1 . 2]"
2 66 ALA 9.393 0.167 8 0 "[ . 1 . 2]"
2 67 PRO 6.671 0.197 20 0 "[ . 1 . 2]"
2 68 ASP 5.830 0.211 6 0 "[ . 1 . 2]"
2 69 ALA 5.563 0.191 1 0 "[ . 1 . 2]"
2 70 GLY 2.170 0.197 20 0 "[ . 1 . 2]"
2 71 TRP 10.370 0.211 10 0 "[ . 1 . 2]"
2 72 GLY 1.779 0.088 11 0 "[ . 1 . 2]"
2 73 ASN 3.610 0.197 13 0 "[ . 1 . 2]"
2 74 LEU 3.278 0.197 13 0 "[ . 1 . 2]"
2 75 VAL 3.479 0.173 6 0 "[ . 1 . 2]"
2 76 TYR 3.105 0.177 3 0 "[ . 1 . 2]"
2 77 VAL 1.260 0.141 2 0 "[ . 1 . 2]"
2 78 VAL 16.838 0.448 19 0 "[ . 1 . 2]"
2 79 ASN 12.977 0.448 19 0 "[ . 1 . 2]"
2 80 TYR 5.725 0.288 18 0 "[ . 1 . 2]"
2 81 PRO 3.206 0.316 9 0 "[ . 1 . 2]"
2 82 LYS 9.737 0.562 1 1 "[+ . 1 . 2]"
2 83 ASP 2.780 0.213 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 MET HA 1 5 SER H 3.040 . 3.040 2.425 2.132 3.418 0.378 20 0 "[ . 1 . 2]" 2
2 1 5 SER H 1 5 SER QB 3.310 . 3.310 2.750 2.425 3.322 0.012 19 0 "[ . 1 . 2]" 2
3 1 6 GLU H 1 7 TYR H 4.750 . 4.750 4.559 4.450 4.622 . 0 0 "[ . 1 . 2]" 2
4 1 5 SER QB 1 6 GLU H 3.560 . 3.560 3.155 2.155 3.760 0.200 14 0 "[ . 1 . 2]" 2
5 1 6 GLU H 1 6 GLU QG 3.730 . 3.730 3.294 2.447 3.983 0.253 2 0 "[ . 1 . 2]" 2
6 1 5 SER QB 1 7 TYR H 5.500 . 5.500 5.538 5.203 5.694 0.194 12 0 "[ . 1 . 2]" 2
7 1 6 GLU QG 1 7 TYR H 4.140 . 4.140 3.366 1.852 4.236 0.096 20 0 "[ . 1 . 2]" 2
8 1 8 ILE H 1 71 TRP HB2 5.500 . 5.500 5.302 4.837 5.585 0.085 11 0 "[ . 1 . 2]" 2
9 1 8 ILE H 1 21 ILE HB 4.360 . 4.360 3.739 3.399 4.032 . 0 0 "[ . 1 . 2]" 2
10 1 8 ILE H 1 8 ILE HG13 4.420 . 4.420 3.878 3.565 4.445 0.025 14 0 "[ . 1 . 2]" 2
11 1 8 ILE H 1 8 ILE MG 4.260 . 4.260 2.389 2.045 2.688 . 0 0 "[ . 1 . 2]" 2
12 1 8 ILE H 1 8 ILE MD 4.470 . 4.470 3.957 3.755 4.250 . 0 0 "[ . 1 . 2]" 2
13 1 7 TYR QD 1 9 ARG H 5.500 . 5.500 5.626 5.302 5.799 0.299 12 0 "[ . 1 . 2]" 2
14 1 9 ARG H 1 75 VAL HA 4.800 . 4.800 4.420 3.878 4.830 0.030 19 0 "[ . 1 . 2]" 2
15 1 8 ILE HG12 1 9 ARG H 4.580 . 4.580 4.025 3.482 4.261 . 0 0 "[ . 1 . 2]" 2
16 1 8 ILE MG 1 9 ARG H 4.180 . 4.180 4.113 3.927 4.296 0.116 14 0 "[ . 1 . 2]" 2
17 1 54 MET H 1 55 ARG H 4.730 . 4.730 4.533 4.489 4.569 . 0 0 "[ . 1 . 2]" 2
18 1 54 MET ME 1 55 ARG H 3.180 . 3.180 3.118 2.616 3.348 0.168 14 0 "[ . 1 . 2]" 2
19 1 55 ARG H 1 55 ARG HB2 3.190 . 3.190 2.943 2.520 3.180 . 0 0 "[ . 1 . 2]" 2
20 1 10 VAL H 1 10 VAL MG2 3.920 . 3.920 2.325 2.044 3.817 . 0 0 "[ . 1 . 2]" 2
21 1 8 ILE HG13 1 10 VAL H 4.880 . 4.880 3.237 3.064 3.733 . 0 0 "[ . 1 . 2]" 2
22 1 11 THR H 1 19 ILE H 4.890 . 4.890 4.499 4.151 4.677 . 0 0 "[ . 1 . 2]" 2
23 1 10 VAL H 1 11 THR H 4.960 . 4.960 4.473 4.374 4.529 . 0 0 "[ . 1 . 2]" 2
24 1 11 THR H 1 76 TYR H 5.300 . 5.300 4.391 3.956 4.733 . 0 0 "[ . 1 . 2]" 2
25 1 10 VAL HA 1 11 THR H 3.500 . 3.500 2.342 2.137 2.507 . 0 0 "[ . 1 . 2]" 2
26 1 11 THR H 1 77 VAL HA 4.120 . 4.120 2.023 1.884 2.159 . 0 0 "[ . 1 . 2]" 2
27 1 11 THR H 1 12 GLU HA 5.040 . 5.040 4.729 4.472 5.005 . 0 0 "[ . 1 . 2]" 2
28 1 11 THR H 1 76 TYR HB2 5.030 . 5.030 4.256 3.994 4.448 . 0 0 "[ . 1 . 2]" 2
29 1 11 THR H 1 76 TYR HB3 4.980 . 4.980 4.648 4.466 4.840 . 0 0 "[ . 1 . 2]" 2
30 1 10 VAL HB 1 11 THR H 4.130 . 4.130 3.068 2.204 4.150 0.020 11 0 "[ . 1 . 2]" 2
31 1 11 THR H 1 77 VAL HB 4.980 . 4.980 4.992 4.856 5.118 0.138 1 0 "[ . 1 . 2]" 2
32 1 11 THR H 1 19 ILE HG12 5.500 . 5.500 5.496 5.158 5.600 0.100 10 0 "[ . 1 . 2]" 2
33 1 12 GLU H 1 13 ASP H 3.580 . 3.580 2.465 2.166 2.780 . 0 0 "[ . 1 . 2]" 2
34 1 79 ASN HA 1 80 TYR H 3.100 . 3.100 2.135 2.094 2.161 . 0 0 "[ . 1 . 2]" 2
35 1 80 TYR H 1 81 PRO QD 4.270 . 4.270 4.282 4.161 4.339 0.069 12 0 "[ . 1 . 2]" 2
36 1 80 TYR H 1 80 TYR QB 3.110 . 3.110 2.256 2.213 2.325 . 0 0 "[ . 1 . 2]" 2
37 1 12 GLU H 1 12 GLU HB3 3.310 . 3.310 2.904 2.836 2.985 . 0 0 "[ . 1 . 2]" 2
38 1 13 ASP H 1 15 ASN H 5.500 . 5.500 4.930 4.746 5.389 . 0 0 "[ . 1 . 2]" 2
39 1 11 THR HA 1 13 ASP H 4.280 . 4.280 4.115 3.760 4.428 0.148 17 0 "[ . 1 . 2]" 2
40 1 14 GLU H 1 15 ASN H 3.840 . 3.840 2.707 2.594 2.802 . 0 0 "[ . 1 . 2]" 2
41 1 13 ASP H 1 14 GLU H 4.420 . 4.420 4.260 4.177 4.361 . 0 0 "[ . 1 . 2]" 2
42 1 14 GLU QG 1 15 ASN H 3.770 . 3.770 2.779 2.466 2.930 . 0 0 "[ . 1 . 2]" 2
43 1 14 GLU H 1 15 ASN HD21 4.790 . 4.790 3.785 3.525 4.032 . 0 0 "[ . 1 . 2]" 2
44 1 15 ASN H 1 15 ASN HD21 3.800 . 3.800 2.270 2.171 2.369 . 0 0 "[ . 1 . 2]" 2
45 1 14 GLU H 1 15 ASN HD22 4.910 . 4.910 4.588 4.229 5.017 0.107 7 0 "[ . 1 . 2]" 2
46 1 15 ASN H 1 15 ASN HD22 4.010 . 4.010 3.462 3.075 3.642 . 0 0 "[ . 1 . 2]" 2
47 1 15 ASN HA 1 15 ASN HD22 4.860 . 4.860 4.556 4.187 5.076 0.216 9 0 "[ . 1 . 2]" 2
48 1 14 GLU QG 1 15 ASN HD22 4.300 . 4.300 3.314 2.564 4.417 0.117 17 0 "[ . 1 . 2]" 2
49 1 15 ASN H 1 16 ASP H 3.100 . 3.100 2.313 2.068 2.534 . 0 0 "[ . 1 . 2]" 2
50 1 15 ASN HD22 1 16 ASP H 5.500 . 5.500 5.322 4.313 5.743 0.243 11 0 "[ . 1 . 2]" 2
51 1 16 ASP H 1 17 GLU H 4.660 . 4.660 4.360 4.169 4.498 . 0 0 "[ . 1 . 2]" 2
52 1 17 GLU H 1 17 GLU QB 2.840 . 2.840 2.266 2.032 2.599 . 0 0 "[ . 1 . 2]" 2
53 1 10 VAL H 1 19 ILE H 4.260 . 4.260 3.806 3.573 3.993 . 0 0 "[ . 1 . 2]" 2
54 1 12 GLU H 1 19 ILE H 4.700 . 4.700 4.387 4.090 4.714 0.014 20 0 "[ . 1 . 2]" 2
55 1 11 THR HA 1 19 ILE H 4.330 . 4.330 2.659 2.479 2.872 . 0 0 "[ . 1 . 2]" 2
56 1 18 PRO HD3 1 19 ILE H 5.500 . 5.500 5.600 5.515 5.702 0.202 16 0 "[ . 1 . 2]" 2
57 1 18 PRO HB2 1 19 ILE H 3.580 . 3.580 3.114 2.638 3.769 0.189 10 0 "[ . 1 . 2]" 2
58 1 23 SER H 1 24 GLU H 4.740 . 4.740 4.522 4.419 4.597 . 0 0 "[ . 1 . 2]" 2
59 1 8 ILE H 1 23 SER H 4.410 . 4.410 3.939 3.557 4.468 0.058 10 0 "[ . 1 . 2]" 2
60 1 7 TYR HA 1 23 SER H 3.690 . 3.690 2.813 2.536 3.171 . 0 0 "[ . 1 . 2]" 2
61 1 22 PRO HA 1 23 SER H 3.330 . 3.330 2.165 2.126 2.216 . 0 0 "[ . 1 . 2]" 2
62 1 23 SER H 1 23 SER HB3 3.830 . 3.830 3.189 2.370 3.715 . 0 0 "[ . 1 . 2]" 2
63 1 23 SER H 1 23 SER HB2 3.830 . 3.830 2.882 2.521 3.646 . 0 0 "[ . 1 . 2]" 2
64 1 23 SER H 1 29 VAL MG2 4.680 . 4.680 4.220 3.923 4.589 . 0 0 "[ . 1 . 2]" 2
65 1 8 ILE MG 1 23 SER H 5.180 . 5.180 3.457 2.936 4.025 . 0 0 "[ . 1 . 2]" 2
66 1 8 ILE MD 1 23 SER H 5.490 . 5.490 5.034 4.779 5.468 . 0 0 "[ . 1 . 2]" 2
67 1 24 GLU H 1 25 ASP H 4.620 . 4.620 4.565 4.535 4.586 . 0 0 "[ . 1 . 2]" 2
68 1 24 GLU H 1 29 VAL H 5.400 . 5.400 4.844 4.487 5.164 . 0 0 "[ . 1 . 2]" 2
69 1 24 GLU H 1 26 ASP H 5.090 . 5.090 4.718 4.516 4.893 . 0 0 "[ . 1 . 2]" 2
70 1 24 GLU H 1 29 VAL HA 3.960 . 3.960 2.890 2.380 3.407 . 0 0 "[ . 1 . 2]" 2
71 1 23 SER HB3 1 24 GLU H 4.170 . 4.170 2.854 2.119 3.871 . 0 0 "[ . 1 . 2]" 2
72 1 23 SER HB2 1 24 GLU H 4.170 . 4.170 3.039 2.163 3.822 . 0 0 "[ . 1 . 2]" 2
73 1 24 GLU H 1 24 GLU HB3 3.330 . 3.330 2.608 2.459 3.284 . 0 0 "[ . 1 . 2]" 2
74 1 25 ASP H 1 25 ASP QB 2.930 . 2.930 2.320 2.159 2.585 . 0 0 "[ . 1 . 2]" 2
75 1 24 GLU QG 1 25 ASP H 3.050 . 3.050 2.324 1.763 3.087 0.037 14 0 "[ . 1 . 2]" 2
76 1 25 ASP H 1 26 ASP H 3.250 . 3.250 2.602 2.441 2.754 . 0 0 "[ . 1 . 2]" 2
77 1 26 ASP H 1 27 GLY H 3.070 . 3.070 2.571 2.450 2.701 . 0 0 "[ . 1 . 2]" 2
78 1 25 ASP HA 1 26 ASP H 3.490 . 3.490 3.384 3.258 3.481 . 0 0 "[ . 1 . 2]" 2
79 1 24 GLU HB3 1 26 ASP H 3.370 . 3.370 2.822 1.987 3.197 . 0 0 "[ . 1 . 2]" 2
80 1 24 GLU QG 1 26 ASP H 3.560 . 3.560 2.202 1.741 3.687 0.127 8 0 "[ . 1 . 2]" 2
81 1 27 GLY H 1 71 TRP HE1 5.040 . 5.040 5.033 4.815 5.134 0.094 16 0 "[ . 1 . 2]" 2
82 1 24 GLU H 1 27 GLY H 4.500 . 4.500 4.194 3.947 4.476 . 0 0 "[ . 1 . 2]" 2
83 1 25 ASP H 1 27 GLY H 4.190 . 4.190 4.235 4.138 4.296 0.106 11 0 "[ . 1 . 2]" 2
84 1 27 GLY H 1 28 THR H 3.340 . 3.340 2.209 2.111 2.282 . 0 0 "[ . 1 . 2]" 2
85 1 27 GLY H 1 71 TRP HD1 5.500 . 5.500 5.559 5.247 5.695 0.195 2 0 "[ . 1 . 2]" 2
86 1 24 GLU HB3 1 27 GLY H 3.660 . 3.660 3.456 3.109 3.686 0.026 15 0 "[ . 1 . 2]" 2
87 1 24 GLU H 1 28 THR H 4.270 . 4.270 3.694 3.427 4.053 . 0 0 "[ . 1 . 2]" 2
88 1 25 ASP H 1 28 THR H 5.460 . 5.460 5.472 5.310 5.544 0.084 15 0 "[ . 1 . 2]" 2
89 1 28 THR H 1 29 VAL H 4.650 . 4.650 4.442 4.345 4.475 . 0 0 "[ . 1 . 2]" 2
90 1 26 ASP H 1 28 THR H 3.920 . 3.920 3.700 3.536 3.879 . 0 0 "[ . 1 . 2]" 2
91 1 28 THR H 1 71 TRP HZ2 5.500 . 5.500 5.390 5.234 5.511 0.011 4 0 "[ . 1 . 2]" 2
92 1 24 GLU HB3 1 28 THR H 3.540 . 3.540 2.982 2.692 3.435 . 0 0 "[ . 1 . 2]" 2
93 1 28 THR H 1 29 VAL MG2 5.010 . 5.010 4.792 4.644 4.917 . 0 0 "[ . 1 . 2]" 2
94 1 29 VAL H 1 71 TRP HE1 4.960 . 4.960 3.755 3.525 3.953 . 0 0 "[ . 1 . 2]" 2
95 1 29 VAL H 1 64 LEU H 4.170 . 4.170 3.023 2.832 3.245 . 0 0 "[ . 1 . 2]" 2
96 1 29 VAL H 1 71 TRP HZ2 3.900 . 3.900 2.478 2.150 2.754 . 0 0 "[ . 1 . 2]" 2
97 1 29 VAL H 1 71 TRP HH2 4.600 . 4.600 4.162 3.870 4.411 . 0 0 "[ . 1 . 2]" 2
98 1 28 THR HB 1 29 VAL H 3.410 . 3.410 2.372 1.986 2.829 . 0 0 "[ . 1 . 2]" 2
99 1 29 VAL H 1 29 VAL HB 3.760 . 3.760 2.610 2.473 2.672 . 0 0 "[ . 1 . 2]" 2
100 1 28 THR MG 1 29 VAL H 3.690 . 3.690 3.439 3.300 3.591 . 0 0 "[ . 1 . 2]" 2
101 1 29 VAL H 1 63 ILE MG 3.300 . 3.300 3.210 3.048 3.364 0.064 13 0 "[ . 1 . 2]" 2
102 1 24 GLU H 1 30 LEU H 5.050 . 5.050 4.114 3.364 4.668 . 0 0 "[ . 1 . 2]" 2
103 1 30 LEU H 1 64 LEU H 5.500 . 5.500 4.875 4.795 4.997 . 0 0 "[ . 1 . 2]" 2
104 1 30 LEU H 1 30 LEU HB2 4.170 . 4.170 2.786 2.696 2.887 . 0 0 "[ . 1 . 2]" 2
105 1 30 LEU H 1 30 LEU QD 3.960 . 3.960 3.781 3.746 3.824 . 0 0 "[ . 1 . 2]" 2
106 1 29 VAL MG2 1 30 LEU H 4.270 . 4.270 3.866 3.710 3.953 . 0 0 "[ . 1 . 2]" 2
107 1 31 LEU H 1 64 LEU H 4.400 . 4.400 4.048 3.847 4.282 . 0 0 "[ . 1 . 2]" 2
108 1 31 LEU H 1 33 THR H 4.720 . 4.720 4.425 4.245 4.575 . 0 0 "[ . 1 . 2]" 2
109 1 30 LEU HA 1 31 LEU H 3.480 . 3.480 2.114 2.087 2.139 . 0 0 "[ . 1 . 2]" 2
110 1 31 LEU H 1 63 ILE HA 3.780 . 3.780 3.362 3.225 3.480 . 0 0 "[ . 1 . 2]" 2
111 1 31 LEU H 1 34 VAL HB 5.490 . 5.490 5.395 5.227 5.559 0.069 19 0 "[ . 1 . 2]" 2
112 1 30 LEU HB2 1 31 LEU H 4.390 . 4.390 4.223 4.152 4.297 . 0 0 "[ . 1 . 2]" 2
113 1 30 LEU HG 1 31 LEU H 3.890 . 3.890 3.730 3.597 3.883 . 0 0 "[ . 1 . 2]" 2
114 1 30 LEU QD 1 31 LEU H 3.160 . 3.160 1.955 1.829 2.117 . 0 0 "[ . 1 . 2]" 2
115 1 32 SER H 1 35 THR H 5.070 . 5.070 4.700 4.644 4.752 . 0 0 "[ . 1 . 2]" 2
116 1 32 SER H 1 33 THR H 3.630 . 3.630 2.707 2.633 2.794 . 0 0 "[ . 1 . 2]" 2
117 1 30 LEU HA 1 32 SER H 3.780 . 3.780 3.850 3.801 3.914 0.134 3 0 "[ . 1 . 2]" 2
118 1 32 SER H 1 34 VAL HB 5.340 . 5.340 5.136 5.014 5.363 0.023 19 0 "[ . 1 . 2]" 2
119 1 30 LEU HB3 1 32 SER H 4.100 . 4.100 4.042 3.922 4.127 0.027 19 0 "[ . 1 . 2]" 2
120 1 32 SER H 1 35 THR MG 4.720 . 4.720 4.700 4.458 4.828 0.108 13 0 "[ . 1 . 2]" 2
121 1 30 LEU QD 1 32 SER H 3.270 . 3.270 2.197 2.067 2.288 . 0 0 "[ . 1 . 2]" 2
122 1 33 THR H 1 35 THR H 4.420 . 4.420 4.168 4.046 4.317 . 0 0 "[ . 1 . 2]" 2
123 1 30 LEU H 1 33 THR H 4.880 . 4.880 4.586 4.425 4.810 . 0 0 "[ . 1 . 2]" 2
124 1 33 THR H 1 33 THR HB 3.460 . 3.460 2.561 2.500 2.611 . 0 0 "[ . 1 . 2]" 2
125 1 33 THR H 1 34 VAL HA 5.340 . 5.340 5.153 5.020 5.295 . 0 0 "[ . 1 . 2]" 2
126 1 33 THR H 1 34 VAL HB 4.980 . 4.980 4.769 4.563 4.936 . 0 0 "[ . 1 . 2]" 2
127 1 30 LEU HB3 1 33 THR H 3.620 . 3.620 3.267 3.077 3.484 . 0 0 "[ . 1 . 2]" 2
128 1 33 THR H 2 59 LEU HB3 3.640 . 3.640 3.394 3.205 3.602 . 0 0 "[ . 1 . 2]" 2
129 1 33 THR H 1 33 THR MG 3.810 . 3.810 3.746 3.733 3.755 . 0 0 "[ . 1 . 2]" 2
130 1 34 VAL H 1 35 THR H 3.830 . 3.830 2.585 2.497 2.700 . 0 0 "[ . 1 . 2]" 2
131 1 32 SER H 1 34 VAL H 4.430 . 4.430 4.013 3.921 4.165 . 0 0 "[ . 1 . 2]" 2
132 1 34 VAL H 1 36 ALA H 4.180 . 4.180 3.826 3.712 3.944 . 0 0 "[ . 1 . 2]" 2
133 1 34 VAL H 1 37 GLN H 5.500 . 5.500 5.285 4.884 5.628 0.128 12 0 "[ . 1 . 2]" 2
134 1 33 THR HB 1 34 VAL H 3.910 . 3.910 2.756 2.563 2.900 . 0 0 "[ . 1 . 2]" 2
135 1 31 LEU HA 1 34 VAL H 3.780 . 3.780 3.135 3.052 3.218 . 0 0 "[ . 1 . 2]" 2
136 1 34 VAL H 1 34 VAL HB 3.590 . 3.590 2.528 2.484 2.577 . 0 0 "[ . 1 . 2]" 2
137 1 33 THR MG 1 34 VAL H 4.380 . 4.380 3.706 3.539 3.851 . 0 0 "[ . 1 . 2]" 2
138 1 34 VAL H 1 35 THR MG 4.740 . 4.740 4.200 3.989 4.348 . 0 0 "[ . 1 . 2]" 2
139 1 34 VAL H 1 34 VAL MG2 3.040 . 3.040 2.085 2.015 2.153 . 0 0 "[ . 1 . 2]" 2
140 1 32 SER HA 1 35 THR H 4.760 . 4.760 3.349 3.207 3.486 . 0 0 "[ . 1 . 2]" 2
141 1 31 LEU HG 1 35 THR H 4.820 . 4.820 3.719 3.509 3.958 . 0 0 "[ . 1 . 2]" 2
142 1 34 VAL MG2 1 35 THR H 4.450 . 4.450 3.733 3.657 3.800 . 0 0 "[ . 1 . 2]" 2
143 1 34 VAL MG1 1 35 THR H 4.660 . 4.660 3.418 3.307 3.566 . 0 0 "[ . 1 . 2]" 2
144 1 35 THR H 1 36 ALA H 3.440 . 3.440 2.606 2.542 2.643 . 0 0 "[ . 1 . 2]" 2
145 1 36 ALA H 1 38 PHE H 4.030 . 4.030 3.748 3.555 3.905 . 0 0 "[ . 1 . 2]" 2
146 1 36 ALA H 1 37 GLN H 3.220 . 3.220 2.765 2.418 3.003 . 0 0 "[ . 1 . 2]" 2
147 1 35 THR HB 1 36 ALA H 4.150 . 4.150 3.957 3.823 4.150 0.000 12 0 "[ . 1 . 2]" 2
148 1 34 VAL HA 1 36 ALA H 4.400 . 4.400 4.044 3.835 4.267 . 0 0 "[ . 1 . 2]" 2
149 1 36 ALA H 1 38 PHE QB 5.500 . 5.500 5.306 4.978 5.573 0.073 18 0 "[ . 1 . 2]" 2
150 1 36 ALA H 1 36 ALA MB 2.790 . 2.790 2.213 2.193 2.237 . 0 0 "[ . 1 . 2]" 2
151 1 35 THR MG 1 36 ALA H 3.980 . 3.980 4.073 4.020 4.116 0.136 6 0 "[ . 1 . 2]" 2
152 1 35 THR H 1 37 GLN H 4.870 . 4.870 4.629 4.210 4.985 0.115 12 0 "[ . 1 . 2]" 2
153 1 37 GLN H 1 38 PHE HA 5.300 . 5.300 4.988 4.807 5.109 . 0 0 "[ . 1 . 2]" 2
154 1 34 VAL HA 1 37 GLN H 4.230 . 4.230 3.864 3.487 4.142 . 0 0 "[ . 1 . 2]" 2
155 1 37 GLN H 1 38 PHE QB 4.940 . 4.940 4.611 4.367 4.784 . 0 0 "[ . 1 . 2]" 2
156 1 36 ALA MB 1 37 GLN H 3.400 . 3.400 2.277 2.081 2.473 . 0 0 "[ . 1 . 2]" 2
157 1 35 THR H 1 38 PHE H 5.010 . 5.010 4.623 4.491 4.815 . 0 0 "[ . 1 . 2]" 2
158 1 37 GLN H 1 38 PHE H 3.330 . 3.330 2.300 2.087 2.462 . 0 0 "[ . 1 . 2]" 2
159 1 35 THR HA 1 38 PHE H 3.520 . 3.520 3.254 3.048 3.509 . 0 0 "[ . 1 . 2]" 2
160 1 34 VAL HA 1 38 PHE H 4.520 . 4.520 4.075 3.773 4.408 . 0 0 "[ . 1 . 2]" 2
161 1 38 PHE H 1 39 PRO HD3 4.710 . 4.710 3.789 3.416 4.101 . 0 0 "[ . 1 . 2]" 2
162 1 38 PHE H 1 39 PRO HD2 4.710 . 4.710 4.593 4.230 4.797 0.087 13 0 "[ . 1 . 2]" 2
163 1 37 GLN QG 1 38 PHE H 4.040 . 4.040 3.345 2.484 4.103 0.063 9 0 "[ . 1 . 2]" 2
164 1 36 ALA MB 1 38 PHE H 4.360 . 4.360 4.159 3.953 4.371 0.011 6 0 "[ . 1 . 2]" 2
165 1 38 PHE H 1 78 VAL MG1 5.500 . 5.500 5.466 4.884 5.669 0.169 13 0 "[ . 1 . 2]" 2
166 1 39 PRO HA 1 40 GLY H 2.860 . 2.860 2.131 2.101 2.155 . 0 0 "[ . 1 . 2]" 2
167 1 38 PHE QB 1 40 GLY H 5.420 . 5.420 5.117 4.840 5.417 . 0 0 "[ . 1 . 2]" 2
168 1 39 PRO HB2 1 40 GLY H 3.890 . 3.890 3.687 3.350 3.971 0.081 7 0 "[ . 1 . 2]" 2
169 1 41 ALA H 1 42 CYS H 4.590 . 4.590 4.517 4.465 4.562 . 0 0 "[ . 1 . 2]" 2
170 1 40 GLY H 1 41 ALA H 3.350 . 3.350 2.573 2.364 2.801 . 0 0 "[ . 1 . 2]" 2
171 1 40 GLY HA3 1 41 ALA H 3.520 . 3.520 3.112 2.981 3.224 . 0 0 "[ . 1 . 2]" 2
172 1 38 PHE QB 1 41 ALA H 4.190 . 4.190 3.510 3.273 3.778 . 0 0 "[ . 1 . 2]" 2
173 1 39 PRO HB2 1 41 ALA H 5.230 . 5.230 4.929 4.752 5.089 . 0 0 "[ . 1 . 2]" 2
174 1 41 ALA H 1 41 ALA MB 2.740 . 2.740 2.296 2.241 2.347 . 0 0 "[ . 1 . 2]" 2
175 1 42 CYS H 1 80 TYR H 5.230 . 5.230 5.197 5.027 5.315 0.085 4 0 "[ . 1 . 2]" 2
176 1 42 CYS H 1 79 ASN H 4.710 . 4.710 4.322 4.062 4.507 . 0 0 "[ . 1 . 2]" 2
177 1 42 CYS H 1 80 TYR HA 4.040 . 4.040 3.596 3.379 3.890 . 0 0 "[ . 1 . 2]" 2
178 1 42 CYS H 1 43 GLY HA3 4.910 . 4.910 4.616 4.558 4.700 . 0 0 "[ . 1 . 2]" 2
179 1 41 ALA HA 1 42 CYS H 3.220 . 3.220 2.232 2.121 2.362 . 0 0 "[ . 1 . 2]" 2
180 1 42 CYS H 1 81 PRO QD 3.740 . 3.740 3.101 2.544 3.471 . 0 0 "[ . 1 . 2]" 2
181 1 42 CYS H 1 42 CYS HB2 3.990 . 3.990 3.918 3.816 3.986 . 0 0 "[ . 1 . 2]" 2
182 1 42 CYS H 1 42 CYS HB3 3.990 . 3.990 3.521 3.352 3.610 . 0 0 "[ . 1 . 2]" 2
183 1 42 CYS H 1 79 ASN HB2 4.370 . 4.370 3.886 3.664 4.259 . 0 0 "[ . 1 . 2]" 2
184 1 41 ALA MB 1 42 CYS H 3.310 . 3.310 2.689 2.384 2.990 . 0 0 "[ . 1 . 2]" 2
185 1 34 VAL MG1 1 42 CYS H 5.050 . 5.050 4.734 4.509 4.953 . 0 0 "[ . 1 . 2]" 2
186 1 31 LEU MD1 1 42 CYS H 4.580 . 4.580 4.508 4.371 4.607 0.027 6 0 "[ . 1 . 2]" 2
187 1 43 GLY H 1 79 ASN HD21 5.350 . 5.350 5.062 4.891 5.380 0.030 20 0 "[ . 1 . 2]" 2
188 1 43 GLY H 1 44 LEU HA 5.330 . 5.330 5.253 5.172 5.399 0.069 7 0 "[ . 1 . 2]" 2
189 1 42 CYS HA 1 43 GLY H 3.410 . 3.410 2.283 2.263 2.310 . 0 0 "[ . 1 . 2]" 2
190 1 34 VAL MG1 1 43 GLY H 3.930 . 3.930 3.779 3.519 4.004 0.074 8 0 "[ . 1 . 2]" 2
191 1 44 LEU H 1 45 ARG H 4.630 . 4.630 4.259 4.174 4.334 . 0 0 "[ . 1 . 2]" 2
192 1 44 LEU H 1 79 ASN H 4.820 . 4.820 4.342 4.112 4.617 . 0 0 "[ . 1 . 2]" 2
193 1 43 GLY H 1 44 LEU H 4.640 . 4.640 4.406 4.316 4.493 . 0 0 "[ . 1 . 2]" 2
194 1 44 LEU H 1 45 ARG HA 5.100 . 5.100 4.686 4.586 4.779 . 0 0 "[ . 1 . 2]" 2
195 1 43 GLY HA3 1 44 LEU H 3.300 . 3.300 2.732 2.625 2.814 . 0 0 "[ . 1 . 2]" 2
196 1 44 LEU H 1 78 VAL HA 5.270 . 5.270 5.130 4.950 5.261 . 0 0 "[ . 1 . 2]" 2
197 1 43 GLY HA2 1 44 LEU H 3.300 . 3.300 2.483 2.383 2.583 . 0 0 "[ . 1 . 2]" 2
198 1 44 LEU H 1 57 VAL HB 4.170 . 4.170 3.878 3.596 4.218 0.048 17 0 "[ . 1 . 2]" 2
199 1 44 LEU H 1 57 VAL MG2 4.550 . 4.550 4.246 4.029 4.386 . 0 0 "[ . 1 . 2]" 2
200 1 45 ARG H 1 57 VAL H 4.920 . 4.920 4.621 4.430 4.808 . 0 0 "[ . 1 . 2]" 2
201 1 45 ARG H 1 46 TYR QD 4.760 . 4.760 4.781 4.581 4.888 0.128 12 0 "[ . 1 . 2]" 2
202 1 44 LEU HA 1 45 ARG H 3.390 . 3.390 2.196 2.162 2.244 . 0 0 "[ . 1 . 2]" 2
203 1 45 ARG H 1 77 VAL HA 4.880 . 4.880 4.640 4.548 4.735 . 0 0 "[ . 1 . 2]" 2
204 1 45 ARG H 1 78 VAL HA 4.330 . 4.330 3.542 3.387 3.728 . 0 0 "[ . 1 . 2]" 2
205 1 45 ARG H 1 56 GLY HA2 5.050 . 5.050 4.722 4.589 4.855 . 0 0 "[ . 1 . 2]" 2
206 1 45 ARG H 1 46 TYR HB3 4.770 . 4.770 4.840 4.747 4.921 0.151 7 0 "[ . 1 . 2]" 2
207 1 44 LEU MD1 1 45 ARG H 4.500 . 4.500 2.895 1.900 4.503 0.003 16 0 "[ . 1 . 2]" 2
208 1 45 ARG H 1 78 VAL MG1 5.500 . 5.500 5.539 5.170 5.680 0.180 17 0 "[ . 1 . 2]" 2
209 1 45 ARG H 1 46 TYR H 4.700 . 4.700 4.434 4.375 4.475 . 0 0 "[ . 1 . 2]" 2
210 1 46 TYR H 1 56 GLY H 5.340 . 5.340 4.979 4.779 5.125 . 0 0 "[ . 1 . 2]" 2
211 1 46 TYR H 1 57 VAL H 5.090 . 5.090 4.650 4.447 4.807 . 0 0 "[ . 1 . 2]" 2
212 1 46 TYR H 1 46 TYR QD 3.510 . 3.510 2.935 2.617 3.270 . 0 0 "[ . 1 . 2]" 2
213 1 45 ARG HA 1 46 TYR H 3.360 . 3.360 2.313 2.224 2.408 . 0 0 "[ . 1 . 2]" 2
214 1 46 TYR H 1 55 ARG HA 4.940 . 4.940 4.753 4.586 4.882 . 0 0 "[ . 1 . 2]" 2
215 1 46 TYR H 1 56 GLY HA2 4.380 . 4.380 3.522 3.368 3.748 . 0 0 "[ . 1 . 2]" 2
216 1 46 TYR H 1 46 TYR HB2 4.170 . 4.170 4.001 3.895 4.054 . 0 0 "[ . 1 . 2]" 2
217 1 46 TYR H 1 46 TYR HB3 4.060 . 4.060 3.372 3.267 3.449 . 0 0 "[ . 1 . 2]" 2
218 1 46 TYR QD 1 47 ARG H 3.700 . 3.700 2.816 2.709 2.937 . 0 0 "[ . 1 . 2]" 2
219 1 46 TYR QE 1 47 ARG H 4.980 . 4.980 4.984 4.871 5.085 0.105 18 0 "[ . 1 . 2]" 2
220 1 46 TYR HA 1 47 ARG H 3.400 . 3.400 2.560 2.484 2.624 . 0 0 "[ . 1 . 2]" 2
221 1 46 TYR HB2 1 47 ARG H 3.400 . 3.400 2.263 2.171 2.361 . 0 0 "[ . 1 . 2]" 2
222 1 46 TYR HB3 1 47 ARG H 3.710 . 3.710 3.720 3.645 3.778 0.068 12 0 "[ . 1 . 2]" 2
223 1 47 ARG H 1 47 ARG HB2 3.530 . 3.530 3.175 2.982 3.305 . 0 0 "[ . 1 . 2]" 2
224 1 47 ARG H 1 47 ARG HB3 3.530 . 3.530 2.549 2.445 2.634 . 0 0 "[ . 1 . 2]" 2
225 1 47 ARG H 1 47 ARG QG 4.190 . 4.190 4.122 3.984 4.220 0.030 10 0 "[ . 1 . 2]" 2
226 1 48 ASN H 1 52 GLN H 5.320 . 5.320 4.903 4.804 4.972 . 0 0 "[ . 1 . 2]" 2
227 1 48 ASN H 1 48 ASN HD21 4.450 . 4.450 2.409 2.298 2.574 . 0 0 "[ . 1 . 2]" 2
228 1 48 ASN H 1 48 ASN HD22 4.280 . 4.280 3.097 2.939 3.244 . 0 0 "[ . 1 . 2]" 2
229 1 46 TYR QD 1 48 ASN H 4.680 . 4.680 3.816 3.528 4.036 . 0 0 "[ . 1 . 2]" 2
230 1 46 TYR QE 1 48 ASN H 4.910 . 4.910 3.986 3.777 4.195 . 0 0 "[ . 1 . 2]" 2
231 1 47 ARG HA 1 48 ASN H 3.400 . 3.400 2.123 2.094 2.157 . 0 0 "[ . 1 . 2]" 2
232 1 48 ASN H 1 49 PRO HD3 4.980 . 4.980 4.810 4.762 4.857 . 0 0 "[ . 1 . 2]" 2
233 1 48 ASN H 1 55 ARG HB2 4.810 . 4.810 3.719 3.081 4.288 . 0 0 "[ . 1 . 2]" 2
234 1 47 ARG QG 1 48 ASN H 3.790 . 3.790 2.740 2.470 3.010 . 0 0 "[ . 1 . 2]" 2
235 1 48 ASN HD21 1 53 CYS H 3.370 . 3.370 2.308 2.028 2.600 . 0 0 "[ . 1 . 2]" 2
236 1 48 ASN HD21 1 51 GLU HA 5.110 . 5.110 5.146 5.051 5.205 0.095 2 0 "[ . 1 . 2]" 2
237 1 47 ARG HD3 1 48 ASN HD21 4.460 . 4.460 4.474 3.992 4.688 0.228 17 0 "[ . 1 . 2]" 2
238 1 50 VAL H 1 52 GLN H 4.000 . 4.000 3.461 3.246 3.745 . 0 0 "[ . 1 . 2]" 2
239 1 50 VAL H 1 52 GLN HE21 4.940 . 4.940 4.142 3.899 4.391 . 0 0 "[ . 1 . 2]" 2
240 1 48 ASN HA 1 50 VAL H 4.140 . 4.140 3.740 3.634 3.822 . 0 0 "[ . 1 . 2]" 2
241 1 48 ASN H 1 51 GLU H 5.070 . 5.070 5.074 4.930 5.235 0.165 3 0 "[ . 1 . 2]" 2
242 1 48 ASN HD22 1 51 GLU H 4.270 . 4.270 3.237 2.984 3.539 . 0 0 "[ . 1 . 2]" 2
243 1 51 GLU H 1 53 CYS H 4.490 . 4.490 3.392 3.300 3.491 . 0 0 "[ . 1 . 2]" 2
244 1 48 ASN HA 1 51 GLU H 5.500 . 5.500 5.246 5.029 5.392 . 0 0 "[ . 1 . 2]" 2
245 1 51 GLU H 1 52 GLN H 3.330 . 3.330 2.123 1.970 2.224 . 0 0 "[ . 1 . 2]" 2
246 1 52 GLN H 1 52 GLN HE21 4.640 . 4.640 2.341 2.247 2.499 . 0 0 "[ . 1 . 2]" 2
247 1 47 ARG HD3 1 52 GLN H 4.210 . 4.210 4.103 3.834 4.316 0.106 6 0 "[ . 1 . 2]" 2
248 1 47 ARG QG 1 52 GLN H 4.370 . 4.370 4.083 3.708 4.376 0.006 3 0 "[ . 1 . 2]" 2
249 1 52 GLN H 1 52 GLN HE22 4.820 . 4.820 3.557 2.868 3.866 . 0 0 "[ . 1 . 2]" 2
250 1 49 PRO HA 1 52 GLN HE22 3.960 . 3.960 2.196 1.791 3.668 0.009 7 0 "[ . 1 . 2]" 2
251 1 50 VAL HA 1 52 GLN HE22 5.060 . 5.060 4.898 3.307 5.207 0.147 5 0 "[ . 1 . 2]" 2
252 1 47 ARG HD3 1 52 GLN HE22 5.120 . 5.120 3.860 3.222 5.202 0.082 4 0 "[ . 1 . 2]" 2
253 1 48 ASN HD21 1 52 GLN HE21 4.740 . 4.740 4.740 4.538 4.804 0.064 2 0 "[ . 1 . 2]" 2
254 1 49 PRO HA 1 52 GLN HE21 3.910 . 3.910 2.638 2.222 2.836 . 0 0 "[ . 1 . 2]" 2
255 1 50 VAL HA 1 52 GLN HE21 4.300 . 4.300 4.325 4.150 4.606 0.306 8 0 "[ . 1 . 2]" 2
256 1 47 ARG HD3 1 52 GLN HE21 4.860 . 4.860 4.005 3.423 4.567 . 0 0 "[ . 1 . 2]" 2
257 1 47 ARG QG 1 52 GLN HE21 5.060 . 5.060 4.919 4.302 5.134 0.074 9 0 "[ . 1 . 2]" 2
258 1 48 ASN H 1 53 CYS H 4.030 . 4.030 3.881 3.660 4.073 0.043 10 0 "[ . 1 . 2]" 2
259 1 52 GLN H 1 53 CYS H 2.910 . 2.910 2.687 2.637 2.737 . 0 0 "[ . 1 . 2]" 2
260 1 52 GLN HE21 1 53 CYS H 4.800 . 4.800 4.826 4.798 4.863 0.063 7 0 "[ . 1 . 2]" 2
261 1 52 GLN HA 1 53 CYS H 3.090 . 3.090 3.039 2.931 3.123 0.033 10 0 "[ . 1 . 2]" 2
262 1 51 GLU QG 1 53 CYS H 2.700 . 2.700 2.161 1.975 2.423 . 0 0 "[ . 1 . 2]" 2
263 1 47 ARG QG 1 53 CYS H 3.510 . 3.510 3.413 3.243 3.568 0.058 20 0 "[ . 1 . 2]" 2
264 1 48 ASN HD22 1 54 MET H 5.140 . 5.140 4.971 4.699 5.163 0.023 10 0 "[ . 1 . 2]" 2
265 1 53 CYS H 1 54 MET H 5.480 . 5.480 4.537 4.505 4.557 . 0 0 "[ . 1 . 2]" 2
266 1 53 CYS HA 1 54 MET H 3.160 . 3.160 2.340 2.235 2.544 . 0 0 "[ . 1 . 2]" 2
267 1 54 MET H 1 54 MET HB2 3.740 . 3.740 2.768 2.384 3.671 . 0 0 "[ . 1 . 2]" 2
268 1 54 MET H 1 54 MET HB3 3.740 . 3.740 3.122 2.130 3.633 . 0 0 "[ . 1 . 2]" 2
269 1 47 ARG QG 1 54 MET H 4.550 . 4.550 4.307 3.948 4.637 0.087 14 0 "[ . 1 . 2]" 2
270 1 46 TYR QD 1 55 ARG H 4.550 . 4.550 4.312 4.105 4.464 . 0 0 "[ . 1 . 2]" 2
271 1 46 TYR QE 1 55 ARG H 5.100 . 5.100 4.837 4.640 5.054 . 0 0 "[ . 1 . 2]" 2
272 1 45 ARG HA 1 55 ARG H 4.720 . 4.720 4.458 4.272 4.734 0.014 3 0 "[ . 1 . 2]" 2
273 1 55 ARG H 1 56 GLY H 4.390 . 4.390 4.354 4.288 4.420 0.030 11 0 "[ . 1 . 2]" 2
274 1 46 TYR QD 1 56 GLY H 5.500 . 5.500 5.160 4.422 5.510 0.010 7 0 "[ . 1 . 2]" 2
275 1 46 TYR QE 1 56 GLY H 4.620 . 4.620 4.331 3.303 4.673 0.053 7 0 "[ . 1 . 2]" 2
276 1 45 ARG HA 1 56 GLY H 4.910 . 4.910 4.702 4.567 4.794 . 0 0 "[ . 1 . 2]" 2
277 1 55 ARG HA 1 56 GLY H 2.970 . 2.970 2.353 2.239 2.513 . 0 0 "[ . 1 . 2]" 2
278 1 55 ARG QD 1 56 GLY H 3.940 . 3.940 2.918 1.782 3.947 0.018 10 0 "[ . 1 . 2]" 2
279 1 55 ARG QG 1 56 GLY H 3.210 . 3.210 2.517 1.785 3.617 0.407 15 0 "[ . 1 . 2]" 2
280 1 55 ARG HB3 1 56 GLY H 3.650 . 3.650 3.299 2.207 3.712 0.062 3 0 "[ . 1 . 2]" 2
281 1 57 VAL H 1 58 ARG H 4.820 . 4.820 4.579 4.537 4.606 . 0 0 "[ . 1 . 2]" 2
282 1 44 LEU H 1 57 VAL H 4.110 . 4.110 3.679 3.345 3.906 . 0 0 "[ . 1 . 2]" 2
283 1 57 VAL H 1 71 TRP HZ3 5.500 . 5.500 5.701 5.623 5.788 0.288 8 0 "[ . 1 . 2]" 2
284 1 46 TYR QD 1 57 VAL H 4.570 . 4.570 3.175 2.737 3.354 . 0 0 "[ . 1 . 2]" 2
285 1 46 TYR QE 1 57 VAL H 4.620 . 4.620 3.401 3.019 3.734 . 0 0 "[ . 1 . 2]" 2
286 1 45 ARG HA 1 57 VAL H 3.950 . 3.950 3.074 2.684 3.469 . 0 0 "[ . 1 . 2]" 2
287 1 56 GLY HA2 1 57 VAL H 3.500 . 3.500 2.198 2.164 2.245 . 0 0 "[ . 1 . 2]" 2
288 1 46 TYR HB3 1 57 VAL H 5.450 . 5.450 5.334 4.797 5.545 0.095 18 0 "[ . 1 . 2]" 2
289 1 57 VAL H 1 57 VAL HB 3.590 . 3.590 2.579 2.512 2.654 . 0 0 "[ . 1 . 2]" 2
290 1 57 VAL H 1 57 VAL MG2 3.200 . 3.200 1.977 1.890 2.113 . 0 0 "[ . 1 . 2]" 2
291 1 58 ARG H 1 65 HIS H 4.690 . 4.690 4.014 3.711 4.228 . 0 0 "[ . 1 . 2]" 2
292 1 58 ARG H 1 59 LEU H 4.720 . 4.720 4.536 4.262 4.617 . 0 0 "[ . 1 . 2]" 2
293 1 58 ARG H 1 71 TRP HH2 5.500 . 5.500 5.430 5.219 5.561 0.061 16 0 "[ . 1 . 2]" 2
294 1 57 VAL HA 1 58 ARG H 3.400 . 3.400 2.201 2.157 2.237 . 0 0 "[ . 1 . 2]" 2
295 1 58 ARG H 1 58 ARG HD2 4.570 . 4.570 4.445 3.425 4.716 0.146 6 0 "[ . 1 . 2]" 2
296 1 58 ARG H 1 65 HIS HB2 4.760 . 4.760 4.165 3.713 4.446 . 0 0 "[ . 1 . 2]" 2
297 1 57 VAL HB 1 58 ARG H 4.230 . 4.230 3.934 3.845 3.981 . 0 0 "[ . 1 . 2]" 2
298 1 58 ARG H 1 58 ARG QB 3.320 . 3.320 2.406 2.219 2.542 . 0 0 "[ . 1 . 2]" 2
299 1 57 VAL MG1 1 58 ARG H 3.430 . 3.430 2.365 2.236 2.475 . 0 0 "[ . 1 . 2]" 2
300 1 59 LEU H 1 60 VAL H 4.620 . 4.620 4.347 4.279 4.452 . 0 0 "[ . 1 . 2]" 2
301 1 58 ARG HA 1 59 LEU H 3.010 . 3.010 2.153 2.084 2.232 . 0 0 "[ . 1 . 2]" 2
302 1 58 ARG HD3 1 59 LEU H 5.000 . 5.000 4.004 3.486 5.211 0.211 5 0 "[ . 1 . 2]" 2
303 1 59 LEU H 1 59 LEU HB3 3.520 . 3.520 3.046 2.732 3.221 . 0 0 "[ . 1 . 2]" 2
304 1 58 ARG QB 1 59 LEU H 3.500 . 3.500 3.008 2.763 3.484 . 0 0 "[ . 1 . 2]" 2
305 1 59 LEU H 1 59 LEU HB2 4.000 . 4.000 3.875 3.720 3.941 . 0 0 "[ . 1 . 2]" 2
306 1 60 VAL H 1 61 GLU H 4.360 . 4.360 3.935 3.767 4.039 . 0 0 "[ . 1 . 2]" 2
307 1 59 LEU HA 1 60 VAL H 3.290 . 3.290 2.172 2.114 2.222 . 0 0 "[ . 1 . 2]" 2
308 1 60 VAL H 1 62 GLY HA3 5.500 . 5.500 5.552 5.376 5.653 0.153 15 0 "[ . 1 . 2]" 2
309 1 60 VAL H 1 60 VAL HB 3.530 . 3.530 3.151 2.768 3.509 . 0 0 "[ . 1 . 2]" 2
310 1 60 VAL HA 1 61 GLU H 3.060 . 3.060 2.107 2.074 2.133 . 0 0 "[ . 1 . 2]" 2
311 1 61 GLU H 1 62 GLY HA3 5.500 . 5.500 5.306 5.230 5.386 . 0 0 "[ . 1 . 2]" 2
312 1 61 GLU H 1 61 GLU QG 3.150 . 3.150 2.725 2.640 2.840 . 0 0 "[ . 1 . 2]" 2
313 1 61 GLU H 1 62 GLY H 3.640 . 3.640 2.692 2.593 2.801 . 0 0 "[ . 1 . 2]" 2
314 1 60 VAL H 1 62 GLY H 4.480 . 4.480 3.490 3.294 3.694 . 0 0 "[ . 1 . 2]" 2
315 1 59 LEU HA 1 62 GLY H 5.410 . 5.410 5.025 4.801 5.289 . 0 0 "[ . 1 . 2]" 2
316 1 61 GLU HA 1 62 GLY H 3.200 . 3.200 2.892 2.856 2.920 . 0 0 "[ . 1 . 2]" 2
317 1 61 GLU H 1 63 ILE H 4.360 . 4.360 4.122 4.025 4.218 . 0 0 "[ . 1 . 2]" 2
318 1 60 VAL H 1 63 ILE H 3.470 . 3.470 2.878 2.740 3.012 . 0 0 "[ . 1 . 2]" 2
319 1 31 LEU H 1 63 ILE H 5.330 . 5.330 4.913 4.830 4.999 . 0 0 "[ . 1 . 2]" 2
320 1 62 GLY H 1 63 ILE H 3.300 . 3.300 2.546 2.492 2.609 . 0 0 "[ . 1 . 2]" 2
321 1 63 ILE H 1 63 ILE HB 3.020 . 3.020 2.649 2.598 2.705 . 0 0 "[ . 1 . 2]" 2
322 1 63 ILE H 1 63 ILE HG12 3.200 . 3.200 2.321 2.256 2.378 . 0 0 "[ . 1 . 2]" 2
323 1 63 ILE H 1 63 ILE MD 3.140 . 3.140 3.190 3.146 3.233 0.093 16 0 "[ . 1 . 2]" 2
324 1 63 ILE H 1 64 LEU H 4.540 . 4.540 4.366 4.329 4.410 . 0 0 "[ . 1 . 2]" 2
325 1 64 LEU H 1 71 TRP HZ2 4.820 . 4.820 4.553 4.455 4.627 . 0 0 "[ . 1 . 2]" 2
326 1 64 LEU H 1 71 TRP HH2 5.210 . 5.210 4.920 4.865 5.028 . 0 0 "[ . 1 . 2]" 2
327 1 30 LEU HA 1 64 LEU H 4.230 . 4.230 3.653 3.346 3.944 . 0 0 "[ . 1 . 2]" 2
328 1 63 ILE HA 1 64 LEU H 3.530 . 3.530 2.118 2.102 2.139 . 0 0 "[ . 1 . 2]" 2
329 1 28 THR HB 1 64 LEU H 4.340 . 4.340 3.752 3.545 4.094 . 0 0 "[ . 1 . 2]" 2
330 1 64 LEU H 1 64 LEU HB2 3.920 . 3.920 2.489 2.415 2.620 . 0 0 "[ . 1 . 2]" 2
331 1 64 LEU H 1 64 LEU HB3 4.040 . 4.040 3.627 3.590 3.650 . 0 0 "[ . 1 . 2]" 2
332 1 29 VAL MG2 1 64 LEU H 4.820 . 4.820 4.753 4.493 4.893 0.073 15 0 "[ . 1 . 2]" 2
333 1 64 LEU H 1 65 HIS H 4.720 . 4.720 4.482 4.434 4.525 . 0 0 "[ . 1 . 2]" 2
334 1 64 LEU HA 1 65 HIS H 3.340 . 3.340 2.120 2.090 2.155 . 0 0 "[ . 1 . 2]" 2
335 1 58 ARG HA 1 65 HIS H 4.950 . 4.950 4.761 4.679 4.833 . 0 0 "[ . 1 . 2]" 2
336 1 65 HIS H 1 65 HIS HB3 3.670 . 3.670 3.557 3.397 3.622 . 0 0 "[ . 1 . 2]" 2
337 1 65 HIS H 1 65 HIS HB2 3.670 . 3.670 2.308 2.216 2.380 . 0 0 "[ . 1 . 2]" 2
338 1 64 LEU HB2 1 65 HIS H 4.240 . 4.240 4.113 4.014 4.187 . 0 0 "[ . 1 . 2]" 2
339 1 57 VAL HB 1 65 HIS H 5.100 . 5.100 4.962 4.678 5.160 0.060 15 0 "[ . 1 . 2]" 2
340 1 58 ARG QB 1 65 HIS H 3.770 . 3.770 3.234 3.090 3.478 . 0 0 "[ . 1 . 2]" 2
341 1 57 VAL MG1 1 65 HIS H 3.550 . 3.550 2.699 2.511 2.937 . 0 0 "[ . 1 . 2]" 2
342 1 66 ALA H 1 71 TRP HE1 4.320 . 4.320 3.570 3.403 3.816 . 0 0 "[ . 1 . 2]" 2
343 1 28 THR H 1 66 ALA H 5.500 . 5.500 5.659 5.521 5.795 0.295 16 0 "[ . 1 . 2]" 2
344 1 66 ALA H 1 71 TRP HZ2 3.660 . 3.660 3.070 2.948 3.198 . 0 0 "[ . 1 . 2]" 2
345 1 66 ALA H 1 71 TRP HH2 4.750 . 4.750 4.574 4.317 4.745 . 0 0 "[ . 1 . 2]" 2
346 1 65 HIS HA 1 66 ALA H 2.890 . 2.890 2.121 2.105 2.140 . 0 0 "[ . 1 . 2]" 2
347 1 28 THR HB 1 66 ALA H 5.070 . 5.070 4.890 4.336 5.177 0.107 19 0 "[ . 1 . 2]" 2
348 1 65 HIS HB3 1 66 ALA H 3.760 . 3.760 3.363 3.266 3.480 . 0 0 "[ . 1 . 2]" 2
349 1 57 VAL MG1 1 66 ALA H 4.470 . 4.470 4.421 4.285 4.523 0.053 17 0 "[ . 1 . 2]" 2
350 1 28 THR MG 1 66 ALA H 3.520 . 3.520 2.840 2.351 3.074 . 0 0 "[ . 1 . 2]" 2
351 1 66 ALA H 1 66 ALA MB 2.850 . 2.850 2.220 2.207 2.242 . 0 0 "[ . 1 . 2]" 2
352 1 67 PRO HA 1 68 ASP H 3.040 . 3.040 2.716 2.581 2.898 . 0 0 "[ . 1 . 2]" 2
353 1 68 ASP H 1 68 ASP HB2 3.790 . 3.790 2.498 2.370 2.615 . 0 0 "[ . 1 . 2]" 2
354 1 67 PRO HB2 1 68 ASP H 3.550 . 3.550 2.008 1.747 2.266 0.053 17 0 "[ . 1 . 2]" 2
355 1 67 PRO HG2 1 68 ASP H 4.110 . 4.110 3.925 3.600 4.212 0.102 11 0 "[ . 1 . 2]" 2
356 1 67 PRO HB3 1 68 ASP H 3.580 . 3.580 3.086 2.357 3.321 . 0 0 "[ . 1 . 2]" 2
357 1 68 ASP H 1 69 ALA MB 4.560 . 4.560 4.491 4.316 4.663 0.103 17 0 "[ . 1 . 2]" 2
358 1 68 ASP H 1 69 ALA H 3.410 . 3.410 2.762 2.572 2.942 . 0 0 "[ . 1 . 2]" 2
359 1 68 ASP HB2 1 69 ALA H 3.740 . 3.740 2.961 2.257 3.861 0.121 7 0 "[ . 1 . 2]" 2
360 1 69 ALA H 1 69 ALA MB 2.570 . 2.570 2.277 2.249 2.325 . 0 0 "[ . 1 . 2]" 2
361 1 70 GLY H 1 70 GLY HA2 2.890 . 2.890 2.436 2.361 2.653 . 0 0 "[ . 1 . 2]" 2
362 1 69 ALA MB 1 70 GLY H 3.100 . 3.100 3.020 2.434 3.292 0.192 13 0 "[ . 1 . 2]" 2
363 1 71 TRP H 1 71 TRP HE3 5.110 . 5.110 5.011 4.849 5.113 0.003 1 0 "[ . 1 . 2]" 2
364 1 70 GLY HA2 1 71 TRP H 3.140 . 3.140 2.743 2.612 2.836 . 0 0 "[ . 1 . 2]" 2
365 1 70 GLY HA3 1 71 TRP H 3.080 . 3.080 2.450 2.329 2.623 . 0 0 "[ . 1 . 2]" 2
366 1 71 TRP H 1 71 TRP HB3 3.800 . 3.800 3.617 3.576 3.641 . 0 0 "[ . 1 . 2]" 2
367 1 66 ALA MB 1 71 TRP H 3.290 . 3.290 3.034 2.747 3.289 . 0 0 "[ . 1 . 2]" 2
368 1 8 ILE MG 1 71 TRP H 4.720 . 4.720 4.514 4.376 4.728 0.008 13 0 "[ . 1 . 2]" 2
369 1 24 GLU H 1 71 TRP HE1 5.130 . 5.130 5.089 4.614 5.284 0.154 3 0 "[ . 1 . 2]" 2
370 1 71 TRP H 1 71 TRP HE1 4.780 . 4.780 4.905 4.858 4.980 0.200 10 0 "[ . 1 . 2]" 2
371 1 28 THR H 1 71 TRP HE1 4.680 . 4.680 3.828 3.741 3.904 . 0 0 "[ . 1 . 2]" 2
372 1 28 THR HA 1 71 TRP HE1 4.280 . 4.280 2.200 1.864 2.539 . 0 0 "[ . 1 . 2]" 2
373 1 67 PRO HD2 1 71 TRP HE1 5.500 . 5.500 5.589 5.531 5.647 0.147 9 0 "[ . 1 . 2]" 2
374 1 66 ALA HA 1 71 TRP HE1 4.720 . 4.720 4.303 4.137 4.519 . 0 0 "[ . 1 . 2]" 2
375 1 29 VAL HB 1 71 TRP HE1 5.300 . 5.300 4.944 4.678 5.215 . 0 0 "[ . 1 . 2]" 2
376 1 28 THR MG 1 71 TRP HE1 4.060 . 4.060 3.868 3.602 4.063 0.003 14 0 "[ . 1 . 2]" 2
377 1 66 ALA MB 1 71 TRP HE1 3.270 . 3.270 2.453 2.324 2.627 . 0 0 "[ . 1 . 2]" 2
378 1 8 ILE MG 1 71 TRP HE1 4.070 . 4.070 4.208 4.085 4.380 0.310 15 0 "[ . 1 . 2]" 2
379 1 8 ILE MD 1 71 TRP HE1 5.440 . 5.440 5.385 5.150 5.495 0.055 7 0 "[ . 1 . 2]" 2
380 1 71 TRP HD1 1 72 GLY H 4.550 . 4.550 4.324 4.199 4.446 . 0 0 "[ . 1 . 2]" 2
381 1 72 GLY H 1 72 GLY QA 2.790 . 2.790 2.208 2.197 2.219 . 0 0 "[ . 1 . 2]" 2
382 1 71 TRP HB3 1 72 GLY H 3.630 . 3.630 3.337 3.179 3.517 . 0 0 "[ . 1 . 2]" 2
383 1 8 ILE HB 1 72 GLY H 5.500 . 5.500 5.438 4.987 5.642 0.142 16 0 "[ . 1 . 2]" 2
384 1 8 ILE MG 1 72 GLY H 4.350 . 4.350 4.144 3.930 4.417 0.067 5 0 "[ . 1 . 2]" 2
385 1 73 ASN H 1 74 LEU HA 4.620 . 4.620 4.307 4.248 4.356 . 0 0 "[ . 1 . 2]" 2
386 1 72 GLY QA 1 73 ASN H 3.290 . 3.290 2.291 2.216 2.439 . 0 0 "[ . 1 . 2]" 2
387 1 73 ASN H 1 73 ASN HB3 3.950 . 3.950 3.573 3.470 3.661 . 0 0 "[ . 1 . 2]" 2
388 1 73 ASN H 1 73 ASN HB2 4.160 . 4.160 4.092 3.959 4.140 . 0 0 "[ . 1 . 2]" 2
389 1 73 ASN H 1 74 LEU HB2 4.870 . 4.870 4.318 4.165 4.495 . 0 0 "[ . 1 . 2]" 2
390 1 73 ASN H 1 73 ASN HD21 4.570 . 4.570 3.063 1.948 3.513 . 0 0 "[ . 1 . 2]" 2
391 1 73 ASN HA 1 73 ASN HD21 4.160 . 4.160 3.896 3.574 4.015 . 0 0 "[ . 1 . 2]" 2
392 1 72 GLY QA 1 73 ASN HD21 4.890 . 4.890 3.698 3.455 3.972 . 0 0 "[ . 1 . 2]" 2
393 1 73 ASN HB3 1 73 ASN HD21 3.310 . 3.310 2.355 2.219 2.805 . 0 0 "[ . 1 . 2]" 2
394 1 73 ASN HD21 1 74 LEU MD2 5.500 . 5.500 5.399 4.669 5.566 0.066 12 0 "[ . 1 . 2]" 2
395 1 73 ASN H 1 73 ASN HD22 4.780 . 4.780 3.983 3.517 4.238 . 0 0 "[ . 1 . 2]" 2
396 1 73 ASN HA 1 73 ASN HD22 5.050 . 5.050 5.045 4.917 5.095 0.045 4 0 "[ . 1 . 2]" 2
397 1 72 GLY QA 1 73 ASN HD22 5.260 . 5.260 4.881 4.702 5.058 . 0 0 "[ . 1 . 2]" 2
398 1 73 ASN HB3 1 73 ASN HD22 3.600 . 3.600 3.531 3.469 3.714 0.114 11 0 "[ . 1 . 2]" 2
399 1 73 ASN HD22 1 74 LEU MD2 5.160 . 5.160 4.952 4.369 5.222 0.062 1 0 "[ . 1 . 2]" 2
400 1 73 ASN H 1 74 LEU H 3.660 . 3.660 1.768 1.690 1.854 0.110 3 0 "[ . 1 . 2]" 2
401 1 72 GLY H 1 74 LEU H 5.500 . 5.500 5.236 4.891 5.514 0.014 11 0 "[ . 1 . 2]" 2
402 1 72 GLY QA 1 74 LEU H 3.830 . 3.830 3.833 3.747 3.918 0.088 2 0 "[ . 1 . 2]" 2
403 1 73 ASN HB3 1 74 LEU H 4.380 . 4.380 4.119 4.001 4.303 . 0 0 "[ . 1 . 2]" 2
404 1 73 ASN HB2 1 74 LEU H 4.360 . 4.360 3.999 3.767 4.191 . 0 0 "[ . 1 . 2]" 2
405 1 74 LEU H 1 74 LEU HB2 3.590 . 3.590 2.616 2.538 2.726 . 0 0 "[ . 1 . 2]" 2
406 1 74 LEU H 1 74 LEU HB3 3.950 . 3.950 3.752 3.709 3.817 . 0 0 "[ . 1 . 2]" 2
407 1 75 VAL H 1 76 TYR H 4.670 . 4.670 4.534 4.468 4.597 . 0 0 "[ . 1 . 2]" 2
408 1 74 LEU H 1 75 VAL H 4.450 . 4.450 4.442 4.379 4.477 0.027 19 0 "[ . 1 . 2]" 2
409 1 74 LEU HA 1 75 VAL H 2.930 . 2.930 2.476 2.384 2.654 . 0 0 "[ . 1 . 2]" 2
410 1 74 LEU HB2 1 75 VAL H 3.480 . 3.480 3.399 3.029 3.534 0.054 15 0 "[ . 1 . 2]" 2
411 1 74 LEU HB3 1 75 VAL H 3.370 . 3.370 2.216 1.908 2.382 . 0 0 "[ . 1 . 2]" 2
412 1 75 VAL H 1 75 VAL MG1 3.300 . 3.300 2.666 2.494 2.884 . 0 0 "[ . 1 . 2]" 2
413 1 76 TYR H 1 77 VAL H 4.550 . 4.550 4.430 4.408 4.464 . 0 0 "[ . 1 . 2]" 2
414 1 9 ARG H 1 76 TYR H 5.170 . 5.170 4.378 3.863 4.668 . 0 0 "[ . 1 . 2]" 2
415 1 10 VAL HA 1 76 TYR H 4.120 . 4.120 3.044 2.686 3.272 . 0 0 "[ . 1 . 2]" 2
416 1 75 VAL HA 1 76 TYR H 3.410 . 3.410 2.271 2.205 2.339 . 0 0 "[ . 1 . 2]" 2
417 1 76 TYR H 1 76 TYR HB2 3.800 . 3.800 2.640 2.574 2.711 . 0 0 "[ . 1 . 2]" 2
418 1 76 TYR H 1 76 TYR HB3 4.120 . 4.120 3.773 3.736 3.809 . 0 0 "[ . 1 . 2]" 2
419 1 75 VAL HB 1 76 TYR H 3.910 . 3.910 2.777 2.551 2.925 . 0 0 "[ . 1 . 2]" 2
420 1 11 THR H 1 77 VAL H 4.890 . 4.890 4.238 4.088 4.364 . 0 0 "[ . 1 . 2]" 2
421 1 77 VAL H 1 78 VAL H 4.450 . 4.450 4.281 4.193 4.394 . 0 0 "[ . 1 . 2]" 2
422 1 46 TYR QD 1 77 VAL H 5.500 . 5.500 5.176 4.997 5.507 0.007 19 0 "[ . 1 . 2]" 2
423 1 44 LEU HA 1 77 VAL H 4.470 . 4.470 4.497 4.367 4.574 0.104 7 0 "[ . 1 . 2]" 2
424 1 76 TYR HB2 1 77 VAL H 3.940 . 3.940 3.816 3.641 3.978 0.038 7 0 "[ . 1 . 2]" 2
425 1 76 TYR HB3 1 77 VAL H 4.130 . 4.130 2.660 2.523 2.849 . 0 0 "[ . 1 . 2]" 2
426 1 46 TYR HB3 1 77 VAL H 4.580 . 4.580 3.921 3.671 4.291 . 0 0 "[ . 1 . 2]" 2
427 1 77 VAL H 1 77 VAL HB 3.510 . 3.510 2.706 2.629 2.765 . 0 0 "[ . 1 . 2]" 2
428 1 11 THR H 1 78 VAL H 4.170 . 4.170 2.995 2.644 3.317 . 0 0 "[ . 1 . 2]" 2
429 1 77 VAL HA 1 78 VAL H 3.550 . 3.550 2.200 2.154 2.285 . 0 0 "[ . 1 . 2]" 2
430 1 12 GLU HA 1 78 VAL H 3.800 . 3.800 3.218 2.910 3.434 . 0 0 "[ . 1 . 2]" 2
431 1 10 VAL HB 1 78 VAL H 4.540 . 4.540 3.941 3.045 4.760 0.220 7 0 "[ . 1 . 2]" 2
432 1 78 VAL H 1 78 VAL HB 3.590 . 3.590 2.647 2.552 2.800 . 0 0 "[ . 1 . 2]" 2
433 1 45 ARG H 1 79 ASN H 4.620 . 4.620 4.348 4.078 4.633 0.013 14 0 "[ . 1 . 2]" 2
434 1 79 ASN H 1 80 TYR H 4.760 . 4.760 4.334 4.178 4.430 . 0 0 "[ . 1 . 2]" 2
435 1 43 GLY H 1 79 ASN H 4.700 . 4.700 4.543 4.466 4.674 . 0 0 "[ . 1 . 2]" 2
436 1 44 LEU HA 1 79 ASN H 3.800 . 3.800 2.861 2.543 3.153 . 0 0 "[ . 1 . 2]" 2
437 1 78 VAL HA 1 79 ASN H 3.230 . 3.230 2.231 2.150 2.298 . 0 0 "[ . 1 . 2]" 2
438 1 43 GLY HA2 1 79 ASN H 4.760 . 4.760 4.762 4.679 4.828 0.068 5 0 "[ . 1 . 2]" 2
439 1 79 ASN H 1 79 ASN HB3 3.640 . 3.640 3.445 3.282 3.505 . 0 0 "[ . 1 . 2]" 2
440 1 79 ASN H 1 79 ASN HB2 3.540 . 3.540 2.189 2.092 2.239 . 0 0 "[ . 1 . 2]" 2
441 1 78 VAL HB 1 79 ASN H 4.130 . 4.130 3.985 3.926 4.119 . 0 0 "[ . 1 . 2]" 2
442 1 45 ARG H 1 79 ASN HD22 5.000 . 5.000 4.100 3.629 4.654 . 0 0 "[ . 1 . 2]" 2
443 1 44 LEU H 1 79 ASN HD22 4.010 . 4.010 3.308 2.870 3.870 . 0 0 "[ . 1 . 2]" 2
444 1 79 ASN H 1 79 ASN HD22 4.810 . 4.810 4.531 4.209 5.011 0.201 18 0 "[ . 1 . 2]" 2
445 1 45 ARG HA 1 79 ASN HD22 4.780 . 4.780 3.894 3.471 4.580 . 0 0 "[ . 1 . 2]" 2
446 1 44 LEU HA 1 79 ASN HD22 4.970 . 4.970 4.004 3.604 4.666 . 0 0 "[ . 1 . 2]" 2
447 1 79 ASN HA 1 79 ASN HD22 4.320 . 4.320 4.114 4.027 4.221 . 0 0 "[ . 1 . 2]" 2
448 1 43 GLY HA3 1 79 ASN HD22 4.360 . 4.360 3.983 3.736 4.288 . 0 0 "[ . 1 . 2]" 2
449 1 56 GLY HA2 1 79 ASN HD22 4.770 . 4.770 4.115 3.606 4.808 0.038 20 0 "[ . 1 . 2]" 2
450 1 79 ASN HB2 1 79 ASN HD22 3.610 . 3.610 3.429 3.405 3.456 . 0 0 "[ . 1 . 2]" 2
451 1 45 ARG H 1 79 ASN HD21 4.830 . 4.830 3.719 3.486 4.400 . 0 0 "[ . 1 . 2]" 2
452 1 44 LEU H 1 79 ASN HD21 4.120 . 4.120 2.296 1.956 2.555 . 0 0 "[ . 1 . 2]" 2
453 1 57 VAL H 1 79 ASN HD21 5.400 . 5.400 4.980 4.489 5.412 0.012 20 0 "[ . 1 . 2]" 2
454 1 79 ASN H 1 79 ASN HD21 4.480 . 4.480 3.091 2.671 3.889 . 0 0 "[ . 1 . 2]" 2
455 1 45 ARG HA 1 79 ASN HD21 4.800 . 4.800 4.531 4.115 4.843 0.043 17 0 "[ . 1 . 2]" 2
456 1 44 LEU HA 1 79 ASN HD21 4.960 . 4.960 2.761 2.472 3.636 . 0 0 "[ . 1 . 2]" 2
457 1 79 ASN HA 1 79 ASN HD21 4.530 . 4.530 3.685 3.527 4.046 . 0 0 "[ . 1 . 2]" 2
458 1 43 GLY HA3 1 79 ASN HD21 4.100 . 4.100 2.761 2.610 3.038 . 0 0 "[ . 1 . 2]" 2
459 1 78 VAL HA 1 79 ASN HD21 5.420 . 5.420 4.365 3.890 5.480 0.060 18 0 "[ . 1 . 2]" 2
460 1 43 GLY HA2 1 79 ASN HD21 4.170 . 4.170 3.758 3.601 4.008 . 0 0 "[ . 1 . 2]" 2
461 1 79 ASN HB2 1 79 ASN HD21 3.430 . 3.430 2.153 2.086 2.205 . 0 0 "[ . 1 . 2]" 2
462 1 77 VAL QG 1 79 ASN HD21 5.500 . 5.500 5.492 5.308 5.713 0.213 18 0 "[ . 1 . 2]" 2
463 1 81 PRO HB2 1 82 LYS H 3.090 . 3.090 2.356 1.843 2.813 . 0 0 "[ . 1 . 2]" 2
464 1 81 PRO HB3 1 82 LYS H 3.430 . 3.430 3.316 3.130 3.541 0.111 15 0 "[ . 1 . 2]" 2
465 1 82 LYS H 1 82 LYS QG 2.980 . 2.980 2.056 1.752 2.531 0.048 19 0 "[ . 1 . 2]" 2
466 1 82 LYS H 1 83 ASP H 2.860 . 2.860 2.328 1.884 2.641 . 0 0 "[ . 1 . 2]" 2
467 1 82 LYS QE 1 83 ASP H 4.540 . 4.540 3.482 3.112 4.218 . 0 0 "[ . 1 . 2]" 2
468 1 82 LYS QG 1 83 ASP H 3.110 . 3.110 2.909 2.141 3.202 0.092 9 0 "[ . 1 . 2]" 2
469 1 52 GLN H 1 53 CYS HA 5.500 . 5.500 5.309 5.277 5.342 . 0 0 "[ . 1 . 2]" 2
470 1 47 ARG QG 1 52 GLN HE22 5.500 . 5.500 5.097 4.695 5.721 0.221 8 0 "[ . 1 . 2]" 2
471 1 8 ILE MD 1 29 VAL H 5.500 . 5.500 5.425 5.194 5.537 0.037 7 0 "[ . 1 . 2]" 2
472 1 9 ARG H 1 10 VAL H 4.460 . 4.460 4.015 3.899 4.154 . 0 0 "[ . 1 . 2]" 2
473 1 11 THR H 1 38 PHE HZ 5.500 . 5.500 5.063 4.444 5.509 0.009 4 0 "[ . 1 . 2]" 2
474 1 12 GLU H 1 38 PHE HZ 4.260 . 4.260 3.977 3.547 4.218 . 0 0 "[ . 1 . 2]" 2
475 1 12 GLU H 1 19 ILE HB 4.860 . 4.860 4.477 4.106 4.802 . 0 0 "[ . 1 . 2]" 2
476 1 13 ASP H 1 38 PHE HE2 5.500 . 5.500 5.034 4.660 5.397 . 0 0 "[ . 1 . 2]" 2
477 1 10 VAL HA 1 19 ILE H 5.310 . 5.310 4.777 4.416 4.965 . 0 0 "[ . 1 . 2]" 2
478 1 19 ILE H 1 38 PHE HZ 5.120 . 5.120 4.413 3.852 4.757 . 0 0 "[ . 1 . 2]" 2
479 1 7 TYR QD 1 23 SER H 5.410 . 5.410 4.359 3.375 5.172 . 0 0 "[ . 1 . 2]" 2
480 1 29 VAL H 1 64 LEU HA 5.210 . 5.210 4.605 4.531 4.736 . 0 0 "[ . 1 . 2]" 2
481 1 28 THR HB 1 30 LEU H 5.500 . 5.500 5.472 5.325 5.557 0.057 19 0 "[ . 1 . 2]" 2
482 1 30 LEU H 1 31 LEU HA 5.500 . 5.500 5.320 5.247 5.399 . 0 0 "[ . 1 . 2]" 2
483 1 30 LEU QD 1 33 THR H 3.780 . 3.780 3.490 3.286 3.725 . 0 0 "[ . 1 . 2]" 2
484 1 50 VAL H 1 50 VAL HB 2.840 . 2.840 2.630 2.537 2.822 . 0 0 "[ . 1 . 2]" 2
485 1 40 GLY H 1 80 TYR QE 5.500 . 5.500 5.490 5.321 5.612 0.112 19 0 "[ . 1 . 2]" 2
486 1 35 THR HA 1 40 GLY H 4.310 . 4.310 4.047 3.275 4.361 0.051 9 0 "[ . 1 . 2]" 2
487 1 39 PRO HA 1 41 ALA H 3.600 . 3.600 3.509 3.349 3.650 0.050 3 0 "[ . 1 . 2]" 2
488 1 31 LEU HG 1 43 GLY H 5.220 . 5.220 4.723 4.417 5.036 . 0 0 "[ . 1 . 2]" 2
489 1 45 ARG H 1 76 TYR HA 4.890 . 4.890 4.661 4.442 4.929 0.039 17 0 "[ . 1 . 2]" 2
490 1 48 ASN H 1 55 ARG HB3 5.170 . 5.170 4.443 3.750 5.075 . 0 0 "[ . 1 . 2]" 2
491 1 48 ASN H 1 51 GLU QG 4.780 . 4.780 4.528 4.364 4.793 0.013 2 0 "[ . 1 . 2]" 2
492 1 48 ASN HD21 1 52 GLN H 5.470 . 5.470 2.764 2.670 2.837 . 0 0 "[ . 1 . 2]" 2
493 1 48 ASN HD21 1 51 GLU QG 3.780 . 3.780 2.765 2.550 2.924 . 0 0 "[ . 1 . 2]" 2
494 1 51 GLU H 1 52 GLN HE21 5.310 . 5.310 3.918 3.645 4.155 . 0 0 "[ . 1 . 2]" 2
495 1 51 GLU H 1 51 GLU QG 2.910 . 2.910 2.137 1.956 2.577 . 0 0 "[ . 1 . 2]" 2
496 1 54 MET H 1 54 MET QG 3.350 . 3.350 2.708 2.195 3.754 0.404 20 0 "[ . 1 . 2]" 2
497 1 56 GLY H 1 57 VAL H 4.810 . 4.810 4.486 4.347 4.564 . 0 0 "[ . 1 . 2]" 2
498 1 44 LEU HA 1 57 VAL H 5.210 . 5.210 4.846 4.709 5.025 . 0 0 "[ . 1 . 2]" 2
499 1 44 LEU HB3 1 57 VAL H 3.800 . 3.800 3.293 3.025 3.557 . 0 0 "[ . 1 . 2]" 2
500 1 59 LEU H 1 65 HIS HD2 5.500 . 5.500 5.031 4.574 5.477 . 0 0 "[ . 1 . 2]" 2
501 1 59 LEU H 1 65 HIS HB2 5.260 . 5.260 5.189 4.773 5.427 0.167 7 0 "[ . 1 . 2]" 2
502 1 60 VAL H 1 65 HIS HB2 5.460 . 5.460 5.519 5.367 5.639 0.179 18 0 "[ . 1 . 2]" 2
503 1 59 LEU HB2 1 60 VAL H 3.570 . 3.570 2.925 2.615 3.141 . 0 0 "[ . 1 . 2]" 2
504 1 59 LEU HB2 1 62 GLY H 4.280 . 4.280 3.776 3.307 4.140 . 0 0 "[ . 1 . 2]" 2
505 1 66 ALA MB 1 68 ASP H 5.500 . 5.500 5.478 5.277 5.577 0.077 15 0 "[ . 1 . 2]" 2
506 1 73 ASN H 1 74 LEU HG 4.810 . 4.810 4.478 4.311 4.616 . 0 0 "[ . 1 . 2]" 2
507 1 73 ASN HD21 1 74 LEU HG 5.310 . 5.310 4.380 3.358 4.779 . 0 0 "[ . 1 . 2]" 2
508 1 74 LEU H 1 74 LEU HG 3.250 . 3.250 2.984 2.786 3.139 . 0 0 "[ . 1 . 2]" 2
509 1 78 VAL H 1 80 TYR QE 5.500 . 5.500 5.532 5.331 5.680 0.180 9 0 "[ . 1 . 2]" 2
510 1 45 ARG H 1 78 VAL H 5.180 . 5.180 4.758 4.654 4.873 . 0 0 "[ . 1 . 2]" 2
511 1 73 ASN HD22 1 74 LEU HB2 5.420 . 5.420 4.442 3.302 5.261 . 0 0 "[ . 1 . 2]" 2
512 1 7 TYR H 1 23 SER H 4.740 . 4.740 4.670 4.294 4.880 0.140 20 0 "[ . 1 . 2]" 2
513 1 7 TYR H 1 8 ILE H 5.180 . 5.180 4.377 4.246 4.461 . 0 0 "[ . 1 . 2]" 2
514 1 14 GLU H 1 16 ASP H 4.640 . 4.640 4.259 4.055 4.528 . 0 0 "[ . 1 . 2]" 2
515 1 11 THR HB 1 19 ILE H 4.970 . 4.970 5.057 4.837 5.180 0.210 3 0 "[ . 1 . 2]" 2
516 1 18 PRO HB3 1 19 ILE H 3.580 . 3.580 3.454 2.867 3.754 0.174 13 0 "[ . 1 . 2]" 2
517 1 45 ARG H 1 79 ASN HB2 5.480 . 5.480 5.191 4.584 5.457 . 0 0 "[ . 1 . 2]" 2
518 1 59 LEU MD2 1 60 VAL H 4.370 . 4.370 3.660 3.208 4.699 0.329 3 0 "[ . 1 . 2]" 2
519 1 12 GLU H 1 19 ILE MD 4.440 . 4.440 4.332 3.782 4.569 0.129 10 0 "[ . 1 . 2]" 2
520 1 11 THR HB 1 12 GLU H 4.080 . 4.080 4.027 3.924 4.107 0.027 1 0 "[ . 1 . 2]" 2
521 1 81 PRO HB2 1 83 ASP H 3.630 . 3.630 2.222 1.957 2.480 . 0 0 "[ . 1 . 2]" 2
522 1 7 TYR QD 1 8 ILE H 5.500 . 5.500 2.464 1.786 3.106 0.014 14 0 "[ . 1 . 2]" 2
523 1 30 LEU H 1 33 THR MG 5.500 . 5.500 4.718 4.408 5.176 . 0 0 "[ . 1 . 2]" 2
524 1 66 ALA MB 1 72 GLY H 5.180 . 5.180 5.113 4.932 5.244 0.064 11 0 "[ . 1 . 2]" 2
525 1 45 ARG H 1 77 VAL H 3.920 . 3.920 2.794 2.614 3.002 . 0 0 "[ . 1 . 2]" 2
526 1 66 ALA H 1 67 PRO HD2 4.880 . 4.880 4.801 4.714 4.998 0.118 1 0 "[ . 1 . 2]" 2
527 1 8 ILE MD 1 10 VAL H 4.140 . 4.140 4.225 4.116 4.312 0.172 9 0 "[ . 1 . 2]" 2
528 1 8 ILE MD 1 9 ARG H 4.410 . 4.410 4.283 4.067 4.484 0.074 20 0 "[ . 1 . 2]" 2
529 1 8 ILE MD 1 71 TRP HZ3 4.020 . 4.020 3.690 3.109 4.025 0.005 12 0 "[ . 1 . 2]" 2
530 1 8 ILE MD 1 76 TYR QD 4.690 . 4.690 3.953 3.471 4.338 . 0 0 "[ . 1 . 2]" 2
531 1 8 ILE MD 1 71 TRP HE3 4.220 . 4.220 3.380 2.812 3.709 . 0 0 "[ . 1 . 2]" 2
532 1 8 ILE MD 1 10 VAL HA 4.890 . 4.890 4.712 4.416 4.805 . 0 0 "[ . 1 . 2]" 2
533 1 8 ILE HA 1 8 ILE MD 4.240 . 4.240 4.180 4.130 4.200 . 0 0 "[ . 1 . 2]" 2
534 1 8 ILE MD 1 29 VAL HA 4.790 . 4.790 4.665 4.412 4.828 0.038 14 0 "[ . 1 . 2]" 2
535 1 8 ILE MD 1 76 TYR HB2 4.220 . 4.220 3.894 3.591 4.049 . 0 0 "[ . 1 . 2]" 2
536 1 8 ILE MD 1 76 TYR HB3 4.330 . 4.330 4.180 3.864 4.383 0.053 12 0 "[ . 1 . 2]" 2
537 1 8 ILE MD 1 21 ILE HB 3.630 . 3.630 2.299 2.112 2.667 . 0 0 "[ . 1 . 2]" 2
538 1 8 ILE HB 1 8 ILE MD 3.110 . 3.110 2.513 2.460 2.550 . 0 0 "[ . 1 . 2]" 2
539 1 8 ILE MD 1 21 ILE QG 3.540 . 3.540 2.656 2.278 3.520 . 0 0 "[ . 1 . 2]" 2
540 1 8 ILE MD 1 44 LEU MD2 4.140 . 4.140 3.003 2.175 4.090 . 0 0 "[ . 1 . 2]" 2
541 1 8 ILE MD 1 8 ILE MG 2.950 . 2.950 1.924 1.834 2.003 . 0 0 "[ . 1 . 2]" 2
542 1 7 TYR QD 1 8 ILE MG 4.760 . 4.760 4.324 3.613 4.625 . 0 0 "[ . 1 . 2]" 2
543 1 8 ILE MG 1 71 TRP HZ3 5.170 . 5.170 4.510 4.288 4.752 . 0 0 "[ . 1 . 2]" 2
544 1 8 ILE MG 1 76 TYR QD 5.050 . 5.050 4.593 3.767 5.055 0.005 9 0 "[ . 1 . 2]" 2
545 1 8 ILE MG 1 71 TRP HE3 4.840 . 4.840 3.227 2.885 3.560 . 0 0 "[ . 1 . 2]" 2
546 1 8 ILE MG 1 72 GLY QA 4.830 . 4.830 4.342 4.050 4.718 . 0 0 "[ . 1 . 2]" 2
547 1 8 ILE MG 1 71 TRP HB2 4.190 . 4.190 2.433 2.234 2.708 . 0 0 "[ . 1 . 2]" 2
548 1 8 ILE MG 1 71 TRP HB3 3.790 . 3.790 1.927 1.747 2.308 0.053 20 0 "[ . 1 . 2]" 2
549 1 8 ILE MG 1 21 ILE HB 4.100 . 4.100 3.340 2.621 3.933 . 0 0 "[ . 1 . 2]" 2
550 1 8 ILE HG12 1 8 ILE MG 3.510 . 3.510 2.430 2.324 2.535 . 0 0 "[ . 1 . 2]" 2
551 1 66 ALA MB 1 70 GLY H 3.840 . 3.840 3.581 3.435 3.845 0.005 11 0 "[ . 1 . 2]" 2
552 1 66 ALA MB 1 71 TRP HZ2 3.590 . 3.590 3.337 3.103 3.487 . 0 0 "[ . 1 . 2]" 2
553 1 66 ALA MB 1 71 TRP HH2 4.540 . 4.540 4.522 4.289 4.621 0.081 17 0 "[ . 1 . 2]" 2
554 1 66 ALA MB 1 71 TRP HE3 4.350 . 4.350 4.250 4.141 4.366 0.016 11 0 "[ . 1 . 2]" 2
555 1 66 ALA MB 1 70 GLY HA2 3.380 . 3.380 2.146 1.975 2.436 . 0 0 "[ . 1 . 2]" 2
556 1 66 ALA MB 1 70 GLY HA3 3.800 . 3.800 3.516 3.323 3.820 0.020 10 0 "[ . 1 . 2]" 2
557 1 66 ALA MB 1 67 PRO HD3 3.270 . 3.270 3.267 2.924 3.343 0.073 3 0 "[ . 1 . 2]" 2
558 1 66 ALA MB 1 67 PRO HD2 3.300 . 3.300 2.062 2.002 2.130 . 0 0 "[ . 1 . 2]" 2
559 1 28 THR MG 1 66 ALA MB 4.080 . 4.080 3.895 3.518 4.101 0.021 9 0 "[ . 1 . 2]" 2
560 1 29 VAL MG2 1 71 TRP HE1 3.930 . 3.930 2.838 2.705 2.958 . 0 0 "[ . 1 . 2]" 2
561 1 24 GLU H 1 29 VAL MG2 3.960 . 3.960 3.662 3.389 3.887 . 0 0 "[ . 1 . 2]" 2
562 1 29 VAL H 1 29 VAL MG2 3.460 . 3.460 2.758 2.572 2.984 . 0 0 "[ . 1 . 2]" 2
563 1 29 VAL MG2 1 71 TRP HZ2 3.470 . 3.470 2.714 2.501 2.900 . 0 0 "[ . 1 . 2]" 2
564 1 29 VAL MG2 1 71 TRP HH2 4.070 . 4.070 3.560 3.325 3.768 . 0 0 "[ . 1 . 2]" 2
565 1 29 VAL MG2 1 71 TRP HE3 4.680 . 4.680 3.958 3.842 4.093 . 0 0 "[ . 1 . 2]" 2
566 1 7 TYR HA 1 29 VAL MG2 5.340 . 5.340 5.397 5.213 5.564 0.224 2 0 "[ . 1 . 2]" 2
567 1 28 THR HA 1 29 VAL MG2 3.740 . 3.740 3.431 3.364 3.534 . 0 0 "[ . 1 . 2]" 2
568 1 23 SER HA 1 29 VAL MG2 3.250 . 3.250 2.723 2.184 3.302 0.052 6 0 "[ . 1 . 2]" 2
569 1 29 VAL HA 1 29 VAL MG2 3.330 . 3.330 2.371 2.313 2.416 . 0 0 "[ . 1 . 2]" 2
570 1 23 SER HB3 1 29 VAL MG2 3.680 . 3.680 2.460 2.098 3.511 . 0 0 "[ . 1 . 2]" 2
571 1 23 SER HB2 1 29 VAL MG2 3.680 . 3.680 3.058 1.973 3.701 0.021 7 0 "[ . 1 . 2]" 2
572 1 8 ILE MG 1 29 VAL MG2 3.380 . 3.380 2.180 1.935 2.531 . 0 0 "[ . 1 . 2]" 2
573 1 8 ILE MD 1 29 VAL MG2 3.150 . 3.150 1.858 1.797 1.936 0.003 11 0 "[ . 1 . 2]" 2
574 1 38 PHE HE1 1 78 VAL MG1 4.020 . 4.020 3.937 3.654 4.093 0.073 9 0 "[ . 1 . 2]" 2
575 1 44 LEU HA 1 78 VAL MG1 5.100 . 5.100 4.924 3.818 5.258 0.158 4 0 "[ . 1 . 2]" 2
576 1 78 VAL HA 1 78 VAL MG1 3.570 . 3.570 3.027 2.333 3.203 . 0 0 "[ . 1 . 2]" 2
577 1 38 PHE QB 1 78 VAL MG1 4.060 . 4.060 2.869 2.516 3.103 . 0 0 "[ . 1 . 2]" 2
578 1 12 GLU HB3 1 78 VAL MG1 4.470 . 4.470 2.857 2.328 4.509 0.039 8 0 "[ . 1 . 2]" 2
579 1 45 ARG H 1 78 VAL MG2 5.500 . 5.500 5.195 4.864 5.420 . 0 0 "[ . 1 . 2]" 2
580 1 38 PHE H 1 78 VAL MG2 5.500 . 5.500 4.999 4.719 5.496 . 0 0 "[ . 1 . 2]" 2
581 1 38 PHE HE1 1 78 VAL MG2 4.020 . 4.020 3.514 2.122 4.045 0.025 14 0 "[ . 1 . 2]" 2
582 1 78 VAL HA 1 78 VAL MG2 3.570 . 3.570 2.405 2.366 2.463 . 0 0 "[ . 1 . 2]" 2
583 1 38 PHE QB 1 78 VAL MG2 4.060 . 4.060 2.689 2.201 3.753 . 0 0 "[ . 1 . 2]" 2
584 1 29 VAL MG1 1 71 TRP HE1 5.500 . 5.500 5.537 5.407 5.594 0.094 18 0 "[ . 1 . 2]" 2
585 1 29 VAL MG1 1 64 LEU H 4.100 . 4.100 4.060 3.850 4.162 0.062 3 0 "[ . 1 . 2]" 2
586 1 29 VAL MG1 1 30 LEU H 3.530 . 3.530 2.465 2.284 2.630 . 0 0 "[ . 1 . 2]" 2
587 1 23 SER H 1 29 VAL MG1 5.480 . 5.480 5.255 5.000 5.400 . 0 0 "[ . 1 . 2]" 2
588 1 29 VAL MG1 1 33 THR H 5.070 . 5.070 4.537 4.399 4.725 . 0 0 "[ . 1 . 2]" 2
589 1 29 VAL MG1 1 34 VAL H 5.310 . 5.310 4.114 3.949 4.383 . 0 0 "[ . 1 . 2]" 2
590 1 29 VAL MG1 1 71 TRP HZ2 4.920 . 4.920 4.746 4.664 4.868 . 0 0 "[ . 1 . 2]" 2
591 1 29 VAL MG1 1 71 TRP HH2 5.320 . 5.320 4.730 4.543 4.945 . 0 0 "[ . 1 . 2]" 2
592 1 23 SER HA 1 29 VAL MG1 3.580 . 3.580 3.297 3.001 3.587 0.007 14 0 "[ . 1 . 2]" 2
593 1 29 VAL HA 1 29 VAL MG1 3.530 . 3.530 2.448 2.387 2.526 . 0 0 "[ . 1 . 2]" 2
594 1 29 VAL MG1 1 31 LEU HA 3.820 . 3.820 3.719 3.521 3.845 0.025 3 0 "[ . 1 . 2]" 2
595 1 29 VAL MG1 1 34 VAL HA 5.200 . 5.200 4.856 4.503 5.239 0.039 8 0 "[ . 1 . 2]" 2
596 1 29 VAL MG1 1 34 VAL HB 5.080 . 5.080 4.722 4.583 4.936 . 0 0 "[ . 1 . 2]" 2
597 1 29 VAL MG1 1 34 VAL MG2 2.770 . 2.770 2.482 2.302 2.735 . 0 0 "[ . 1 . 2]" 2
598 1 8 ILE MG 1 29 VAL MG1 4.050 . 4.050 3.706 3.506 3.950 . 0 0 "[ . 1 . 2]" 2
599 1 8 ILE MD 1 29 VAL MG1 3.470 . 3.470 2.483 2.281 2.631 . 0 0 "[ . 1 . 2]" 2
600 1 63 ILE MG 1 71 TRP HE1 5.500 . 5.500 5.703 5.626 5.789 0.289 3 0 "[ . 1 . 2]" 2
601 1 63 ILE MG 1 64 LEU H 3.400 . 3.400 2.830 2.743 2.935 . 0 0 "[ . 1 . 2]" 2
602 1 63 ILE H 1 63 ILE MG 4.070 . 4.070 3.818 3.788 3.843 . 0 0 "[ . 1 . 2]" 2
603 1 28 THR H 1 63 ILE MG 4.560 . 4.560 4.584 4.402 4.701 0.141 3 0 "[ . 1 . 2]" 2
604 1 63 ILE MG 1 64 LEU HA 4.480 . 4.480 4.058 4.007 4.115 . 0 0 "[ . 1 . 2]" 2
605 1 28 THR HA 1 63 ILE MG 4.180 . 4.180 3.925 3.623 4.188 0.008 2 0 "[ . 1 . 2]" 2
606 1 30 LEU HA 1 63 ILE MG 3.630 . 3.630 3.619 3.343 3.692 0.062 12 0 "[ . 1 . 2]" 2
607 1 63 ILE HA 1 63 ILE MG 3.180 . 3.180 2.289 2.272 2.306 . 0 0 "[ . 1 . 2]" 2
608 1 28 THR HB 1 63 ILE MG 3.090 . 3.090 1.902 1.789 2.056 0.011 19 0 "[ . 1 . 2]" 2
609 1 62 GLY HA3 1 63 ILE MG 5.500 . 5.500 5.656 5.617 5.681 0.181 20 0 "[ . 1 . 2]" 2
610 1 63 ILE HG12 1 63 ILE MG 3.300 . 3.300 3.202 3.193 3.214 . 0 0 "[ . 1 . 2]" 2
611 1 63 ILE MD 1 63 ILE MG 2.400 . 2.400 2.007 1.991 2.024 . 0 0 "[ . 1 . 2]" 2
612 1 29 VAL MG2 1 63 ILE MG 5.060 . 5.060 5.040 4.866 5.161 0.101 2 0 "[ . 1 . 2]" 2
613 1 10 VAL H 1 10 VAL MG1 3.920 . 3.920 2.980 1.963 3.832 . 0 0 "[ . 1 . 2]" 2
614 1 10 VAL MG1 1 76 TYR HB2 4.580 . 4.580 2.729 1.960 4.305 . 0 0 "[ . 1 . 2]" 2
615 1 19 ILE H 1 19 ILE MD 4.220 . 4.220 3.449 3.085 3.606 . 0 0 "[ . 1 . 2]" 2
616 1 11 THR HA 1 19 ILE MD 4.720 . 4.720 4.415 4.209 4.566 . 0 0 "[ . 1 . 2]" 2
617 1 18 PRO HA 1 19 ILE MD 4.160 . 4.160 3.977 3.819 4.168 0.008 19 0 "[ . 1 . 2]" 2
618 1 19 ILE HA 1 19 ILE MD 3.790 . 3.790 2.127 1.999 2.186 . 0 0 "[ . 1 . 2]" 2
619 1 12 GLU QG 1 19 ILE MD 3.890 . 3.890 3.477 2.704 3.831 . 0 0 "[ . 1 . 2]" 2
620 1 19 ILE HB 1 19 ILE MD 3.240 . 3.240 3.236 3.227 3.242 0.002 10 0 "[ . 1 . 2]" 2
621 1 64 LEU H 1 64 LEU MD2 4.240 . 4.240 2.806 1.938 4.141 . 0 0 "[ . 1 . 2]" 2
622 1 43 GLY H 1 64 LEU MD2 4.460 . 4.460 3.778 3.460 4.178 . 0 0 "[ . 1 . 2]" 2
623 1 64 LEU MD2 1 71 TRP HH2 4.420 . 4.420 4.022 3.057 4.461 0.041 13 0 "[ . 1 . 2]" 2
624 1 43 GLY HA2 1 64 LEU MD2 4.390 . 4.390 3.775 2.930 4.422 0.032 14 0 "[ . 1 . 2]" 2
625 1 21 ILE H 1 21 ILE MG 4.460 . 4.460 3.886 3.822 3.927 . 0 0 "[ . 1 . 2]" 2
626 1 8 ILE H 1 21 ILE MG 5.160 . 5.160 4.656 4.299 4.793 . 0 0 "[ . 1 . 2]" 2
627 1 21 ILE MG 1 34 VAL HA 3.930 . 3.930 3.753 3.225 4.010 0.080 14 0 "[ . 1 . 2]" 2
628 1 8 ILE MG 1 21 ILE MG 4.260 . 4.260 3.906 3.287 4.337 0.077 11 0 "[ . 1 . 2]" 2
629 1 8 ILE MD 1 21 ILE MG 3.780 . 3.780 2.852 2.624 3.125 . 0 0 "[ . 1 . 2]" 2
630 1 31 LEU MD1 1 35 THR H 4.460 . 4.460 3.797 3.581 4.023 . 0 0 "[ . 1 . 2]" 2
631 1 45 ARG H 1 77 VAL QG 4.710 . 4.710 3.897 3.489 4.027 . 0 0 "[ . 1 . 2]" 2
632 1 77 VAL H 1 77 VAL QG 3.200 . 3.200 2.818 2.729 2.947 . 0 0 "[ . 1 . 2]" 2
633 1 76 TYR H 1 77 VAL QG 4.180 . 4.180 4.176 4.059 4.236 0.056 3 0 "[ . 1 . 2]" 2
634 1 77 VAL QG 1 78 VAL H 3.430 . 3.430 2.627 2.306 2.751 . 0 0 "[ . 1 . 2]" 2
635 1 31 LEU MD1 1 43 GLY H 3.470 . 3.470 2.107 1.895 2.337 . 0 0 "[ . 1 . 2]" 2
636 1 45 ARG HA 1 77 VAL QG 5.190 . 5.190 5.174 4.900 5.281 0.091 13 0 "[ . 1 . 2]" 2
637 1 77 VAL HA 1 77 VAL QG 3.090 . 3.090 2.154 2.143 2.164 . 0 0 "[ . 1 . 2]" 2
638 1 31 LEU HA 1 31 LEU MD1 2.920 . 2.920 2.074 2.038 2.107 . 0 0 "[ . 1 . 2]" 2
639 1 31 LEU MD1 1 43 GLY HA2 3.880 . 3.880 3.690 3.468 3.970 0.090 20 0 "[ . 1 . 2]" 2
640 1 76 TYR HB2 1 77 VAL QG 4.910 . 4.910 4.873 4.809 4.937 0.027 18 0 "[ . 1 . 2]" 2
641 1 31 LEU MD1 1 34 VAL HB 3.200 . 3.200 2.194 2.090 2.430 . 0 0 "[ . 1 . 2]" 2
642 1 31 LEU MD1 1 35 THR MG 3.170 . 3.170 2.880 2.668 3.121 . 0 0 "[ . 1 . 2]" 2
643 1 21 ILE H 1 21 ILE MD 4.770 . 4.770 3.474 3.165 4.391 . 0 0 "[ . 1 . 2]" 2
644 1 10 VAL H 1 21 ILE MD 4.680 . 4.680 3.900 3.122 4.316 . 0 0 "[ . 1 . 2]" 2
645 1 21 ILE MD 1 34 VAL HA 4.200 . 4.200 3.319 2.230 3.886 . 0 0 "[ . 1 . 2]" 2
646 1 8 ILE MG 1 21 ILE MD 5.500 . 5.500 5.404 4.979 5.720 0.220 16 0 "[ . 1 . 2]" 2
647 1 8 ILE MD 1 21 ILE MD 4.540 . 4.540 3.863 2.564 4.447 . 0 0 "[ . 1 . 2]" 2
648 1 59 LEU MD1 1 61 GLU H 5.170 . 5.170 4.775 2.856 5.331 0.161 15 0 "[ . 1 . 2]" 2
649 1 59 LEU MD1 1 60 VAL H 4.370 . 4.370 4.126 3.226 4.411 0.041 6 0 "[ . 1 . 2]" 2
650 1 75 VAL H 1 75 VAL MG2 3.300 . 3.300 1.957 1.889 2.077 . 0 0 "[ . 1 . 2]" 2
651 1 75 VAL HA 1 75 VAL MG2 3.240 . 3.240 3.218 3.208 3.226 . 0 0 "[ . 1 . 2]" 2
652 1 19 ILE H 1 19 ILE MG 4.000 . 4.000 3.857 3.781 3.902 . 0 0 "[ . 1 . 2]" 2
653 1 11 THR HA 1 19 ILE MG 5.360 . 5.360 4.977 4.736 5.276 . 0 0 "[ . 1 . 2]" 2
654 1 12 GLU QG 1 19 ILE MG 4.920 . 4.920 4.840 4.415 4.999 0.079 1 0 "[ . 1 . 2]" 2
655 1 19 ILE HG12 1 19 ILE MG 3.400 . 3.400 3.196 3.178 3.209 . 0 0 "[ . 1 . 2]" 2
656 1 60 VAL H 1 60 VAL MG2 4.150 . 4.150 3.520 2.900 3.996 . 0 0 "[ . 1 . 2]" 2
657 1 49 PRO HD3 1 74 LEU MD1 3.040 . 3.040 2.214 1.963 2.652 . 0 0 "[ . 1 . 2]" 2
658 1 74 LEU HB3 1 74 LEU MD1 2.760 . 2.760 2.375 2.308 2.449 . 0 0 "[ . 1 . 2]" 2
659 1 28 THR HA 1 28 THR MG 2.900 . 2.900 2.250 2.209 2.323 . 0 0 "[ . 1 . 2]" 2
660 1 44 LEU MD1 1 57 VAL H 5.020 . 5.020 5.051 4.770 5.172 0.152 3 0 "[ . 1 . 2]" 2
661 1 44 LEU MD1 1 76 TYR HB3 3.990 . 3.990 2.116 1.827 3.097 . 0 0 "[ . 1 . 2]" 2
662 1 8 ILE MD 1 44 LEU MD1 4.140 . 4.140 3.106 2.209 3.672 . 0 0 "[ . 1 . 2]" 2
663 1 30 LEU HA 1 30 LEU QD 2.910 . 2.910 2.118 2.076 2.170 . 0 0 "[ . 1 . 2]" 2
664 1 63 ILE MD 1 64 LEU H 4.210 . 4.210 3.868 3.810 3.907 . 0 0 "[ . 1 . 2]" 2
665 1 31 LEU H 1 63 ILE MD 3.940 . 3.940 3.359 3.101 3.576 . 0 0 "[ . 1 . 2]" 2
666 1 29 VAL H 1 63 ILE MD 5.470 . 5.470 5.001 4.806 5.234 . 0 0 "[ . 1 . 2]" 2
667 1 30 LEU H 1 63 ILE MD 5.500 . 5.500 4.580 4.384 4.811 . 0 0 "[ . 1 . 2]" 2
668 1 62 GLY H 1 63 ILE MD 4.970 . 4.970 4.990 4.915 5.019 0.049 3 0 "[ . 1 . 2]" 2
669 1 30 LEU HA 1 63 ILE MD 3.640 . 3.640 2.587 2.413 2.814 . 0 0 "[ . 1 . 2]" 2
670 1 63 ILE HA 1 63 ILE MD 3.050 . 3.050 2.137 2.104 2.180 . 0 0 "[ . 1 . 2]" 2
671 1 62 GLY HA3 1 63 ILE MD 4.300 . 4.300 3.617 3.525 3.695 . 0 0 "[ . 1 . 2]" 2
672 1 75 VAL MG1 1 76 TYR H 3.890 . 3.890 3.734 3.647 3.796 . 0 0 "[ . 1 . 2]" 2
673 1 75 VAL HA 1 75 VAL MG1 3.240 . 3.240 2.328 2.279 2.368 . 0 0 "[ . 1 . 2]" 2
674 1 64 LEU H 1 64 LEU MD1 4.240 . 4.240 3.215 1.975 3.606 . 0 0 "[ . 1 . 2]" 2
675 1 43 GLY H 1 64 LEU MD1 4.460 . 4.460 3.868 3.191 4.303 . 0 0 "[ . 1 . 2]" 2
676 1 64 LEU MD1 1 71 TRP HH2 4.420 . 4.420 3.780 3.155 4.476 0.056 7 0 "[ . 1 . 2]" 2
677 1 8 ILE HG12 1 9 ARG HA 4.270 . 4.270 4.138 3.567 4.391 0.121 11 0 "[ . 1 . 2]" 2
678 1 43 GLY HA2 1 64 LEU MD1 4.390 . 4.390 3.514 2.486 4.439 0.049 9 0 "[ . 1 . 2]" 2
679 1 11 THR MG 1 14 GLU H 4.030 . 4.030 3.825 3.452 4.190 0.160 7 0 "[ . 1 . 2]" 2
680 1 11 THR MG 1 19 ILE H 4.260 . 4.260 3.562 3.273 3.868 . 0 0 "[ . 1 . 2]" 2
681 1 11 THR MG 1 12 GLU H 3.190 . 3.190 2.641 2.554 2.784 . 0 0 "[ . 1 . 2]" 2
682 1 11 THR MG 1 14 GLU HA 3.130 . 3.130 2.521 2.159 3.060 . 0 0 "[ . 1 . 2]" 2
683 1 55 ARG HB3 1 57 VAL MG2 5.480 . 5.480 5.032 4.730 5.257 . 0 0 "[ . 1 . 2]" 2
684 1 74 LEU MD2 1 75 VAL H 3.490 . 3.490 3.404 3.297 3.528 0.038 11 0 "[ . 1 . 2]" 2
685 1 74 LEU HA 1 74 LEU MD2 2.590 . 2.590 2.068 2.002 2.160 . 0 0 "[ . 1 . 2]" 2
686 1 74 LEU HB2 1 74 LEU MD2 3.160 . 3.160 3.193 3.185 3.199 0.039 15 0 "[ . 1 . 2]" 2
687 1 74 LEU HB3 1 74 LEU MD2 2.750 . 2.750 2.371 2.302 2.446 . 0 0 "[ . 1 . 2]" 2
688 1 31 LEU MD2 1 35 THR H 5.420 . 5.420 5.139 4.946 5.350 . 0 0 "[ . 1 . 2]" 2
689 1 31 LEU MD2 1 43 GLY H 4.090 . 4.090 3.650 3.109 3.939 . 0 0 "[ . 1 . 2]" 2
690 1 31 LEU MD2 1 42 CYS HA 3.800 . 3.800 3.614 3.042 3.826 0.026 6 0 "[ . 1 . 2]" 2
691 1 31 LEU HA 1 31 LEU MD2 4.150 . 4.150 3.877 3.858 3.889 . 0 0 "[ . 1 . 2]" 2
692 1 31 LEU MD2 1 42 CYS HB2 4.350 . 4.350 2.430 2.152 2.846 . 0 0 "[ . 1 . 2]" 2
693 1 31 LEU MD2 1 42 CYS HB3 4.350 . 4.350 2.745 2.413 3.012 . 0 0 "[ . 1 . 2]" 2
694 1 31 LEU MD2 1 35 THR MG 3.220 . 3.220 3.133 2.948 3.294 0.074 3 0 "[ . 1 . 2]" 2
695 1 60 VAL H 1 60 VAL MG1 4.150 . 4.150 3.095 2.354 3.935 . 0 0 "[ . 1 . 2]" 2
696 1 60 VAL MG1 1 65 HIS HD2 4.600 . 4.600 3.063 1.915 4.547 . 0 0 "[ . 1 . 2]" 2
697 1 60 VAL HA 1 60 VAL MG1 3.290 . 3.290 2.856 2.377 3.227 . 0 0 "[ . 1 . 2]" 2
698 1 59 LEU MD2 1 61 GLU H 5.170 . 5.170 3.785 2.971 5.343 0.173 3 0 "[ . 1 . 2]" 2
699 1 47 ARG QG 1 48 ASN HD21 4.420 . 4.420 3.240 2.878 3.522 . 0 0 "[ . 1 . 2]" 2
700 1 47 ARG QG 1 54 MET HA 4.100 . 4.100 3.553 3.268 3.928 . 0 0 "[ . 1 . 2]" 2
701 1 47 ARG QG 1 52 GLN HB3 3.950 . 3.950 3.980 3.872 4.110 0.160 1 0 "[ . 1 . 2]" 2
702 1 45 ARG H 1 57 VAL MG2 4.280 . 4.280 3.960 3.682 4.232 . 0 0 "[ . 1 . 2]" 2
703 1 57 VAL MG2 1 71 TRP HZ3 3.360 . 3.360 2.181 2.074 2.321 . 0 0 "[ . 1 . 2]" 2
704 1 45 ARG HA 1 57 VAL MG2 4.000 . 4.000 3.328 2.902 3.776 . 0 0 "[ . 1 . 2]" 2
705 1 57 VAL HA 1 57 VAL MG2 3.250 . 3.250 2.430 2.334 2.473 . 0 0 "[ . 1 . 2]" 2
706 1 56 GLY HA2 1 57 VAL MG2 3.980 . 3.980 3.472 3.393 3.553 . 0 0 "[ . 1 . 2]" 2
707 1 46 TYR HB3 1 57 VAL MG2 3.810 . 3.810 3.334 2.758 3.566 . 0 0 "[ . 1 . 2]" 2
708 1 44 LEU MD1 1 57 VAL MG2 3.600 . 3.600 3.230 2.435 3.669 0.069 2 0 "[ . 1 . 2]" 2
709 1 44 LEU MD2 1 57 VAL MG2 3.600 . 3.600 1.936 1.732 2.076 0.068 11 0 "[ . 1 . 2]" 2
710 1 8 ILE MD 1 57 VAL MG2 4.870 . 4.870 4.714 4.283 4.984 0.114 12 0 "[ . 1 . 2]" 2
711 1 57 VAL H 1 57 VAL MG1 3.840 . 3.840 3.742 3.722 3.768 . 0 0 "[ . 1 . 2]" 2
712 1 57 VAL MG1 1 71 TRP HZ3 3.590 . 3.590 2.360 2.134 2.628 . 0 0 "[ . 1 . 2]" 2
713 1 57 VAL HA 1 57 VAL MG1 3.250 . 3.250 2.302 2.252 2.414 . 0 0 "[ . 1 . 2]" 2
714 1 57 VAL MG1 1 64 LEU HB2 3.750 . 3.750 3.632 3.313 3.742 . 0 0 "[ . 1 . 2]" 2
715 1 8 ILE MD 1 57 VAL MG1 5.320 . 5.320 5.041 4.601 5.301 . 0 0 "[ . 1 . 2]" 2
716 1 19 ILE H 1 19 ILE HG13 4.210 . 4.210 4.030 3.793 4.197 . 0 0 "[ . 1 . 2]" 2
717 1 19 ILE HG13 1 19 ILE MG 3.330 . 3.330 2.311 2.239 2.349 . 0 0 "[ . 1 . 2]" 2
718 1 41 ALA MB 1 80 TYR H 4.550 . 4.550 4.194 4.042 4.383 . 0 0 "[ . 1 . 2]" 2
719 1 41 ALA MB 1 79 ASN H 4.540 . 4.540 3.976 3.665 4.292 . 0 0 "[ . 1 . 2]" 2
720 1 41 ALA MB 1 80 TYR QE 3.710 . 3.710 2.760 2.683 2.848 . 0 0 "[ . 1 . 2]" 2
721 1 41 ALA MB 1 42 CYS HA 3.940 . 3.940 3.829 3.741 3.937 . 0 0 "[ . 1 . 2]" 2
722 1 41 ALA MB 1 81 PRO QD 3.620 . 3.620 2.902 2.771 3.032 . 0 0 "[ . 1 . 2]" 2
723 1 40 GLY HA3 1 41 ALA MB 4.550 . 4.550 4.375 4.318 4.442 . 0 0 "[ . 1 . 2]" 2
724 1 38 PHE QB 1 41 ALA MB 3.650 . 3.650 1.959 1.793 2.189 0.007 2 0 "[ . 1 . 2]" 2
725 1 58 ARG H 1 58 ARG QG 4.370 . 4.370 2.326 2.093 2.644 . 0 0 "[ . 1 . 2]" 2
726 1 58 ARG QG 1 65 HIS H 4.980 . 4.980 4.994 4.789 5.154 0.174 7 0 "[ . 1 . 2]" 2
727 1 58 ARG QG 1 59 LEU H 4.800 . 4.800 4.530 4.315 4.743 . 0 0 "[ . 1 . 2]" 2
728 1 58 ARG QG 1 65 HIS HD2 5.500 . 5.500 5.563 5.372 5.635 0.135 3 0 "[ . 1 . 2]" 2
729 1 57 VAL HA 1 58 ARG QG 4.640 . 4.640 3.874 3.597 4.239 . 0 0 "[ . 1 . 2]" 2
730 1 58 ARG HA 1 58 ARG QG 3.860 . 3.860 2.933 2.725 3.063 . 0 0 "[ . 1 . 2]" 2
731 1 58 ARG QG 1 65 HIS HB2 4.530 . 4.530 3.962 3.792 4.218 . 0 0 "[ . 1 . 2]" 2
732 1 38 PHE QB 1 78 VAL HB 4.580 . 4.580 4.217 3.856 4.486 . 0 0 "[ . 1 . 2]" 2
733 1 35 THR H 1 35 THR MG 3.310 . 3.310 2.243 2.169 2.339 . 0 0 "[ . 1 . 2]" 2
734 1 35 THR HA 1 35 THR MG 2.920 . 2.920 2.299 2.272 2.354 . 0 0 "[ . 1 . 2]" 2
735 1 34 VAL HB 1 35 THR MG 3.380 . 3.380 3.094 2.954 3.223 . 0 0 "[ . 1 . 2]" 2
736 1 69 ALA MB 1 70 GLY HA3 4.250 . 4.250 4.165 3.864 4.280 0.030 10 0 "[ . 1 . 2]" 2
737 1 44 LEU H 1 44 LEU HG 4.790 . 4.790 4.696 4.606 4.830 0.040 7 0 "[ . 1 . 2]" 2
738 1 44 LEU HG 1 46 TYR QD 5.500 . 5.500 4.577 3.777 5.727 0.227 11 0 "[ . 1 . 2]" 2
739 1 8 ILE HB 1 9 ARG H 4.000 . 4.000 2.860 2.513 3.364 . 0 0 "[ . 1 . 2]" 2
740 1 8 ILE HB 1 71 TRP HB3 4.990 . 4.990 2.480 1.810 2.903 . 0 0 "[ . 1 . 2]" 2
741 1 8 ILE HB 1 21 ILE HB 5.010 . 5.010 4.687 4.520 4.839 . 0 0 "[ . 1 . 2]" 2
742 1 19 ILE H 1 19 ILE HG12 3.790 . 3.790 2.624 2.306 2.826 . 0 0 "[ . 1 . 2]" 2
743 1 11 THR HA 1 19 ILE HG12 4.630 . 4.630 2.920 2.684 3.208 . 0 0 "[ . 1 . 2]" 2
744 1 18 PRO HA 1 19 ILE HG12 4.150 . 4.150 3.470 3.244 3.654 . 0 0 "[ . 1 . 2]" 2
745 1 29 VAL HB 1 64 LEU H 4.720 . 4.720 3.517 3.291 3.714 . 0 0 "[ . 1 . 2]" 2
746 1 29 VAL HB 1 71 TRP HZ2 4.680 . 4.680 3.320 3.187 3.546 . 0 0 "[ . 1 . 2]" 2
747 1 29 VAL HB 1 71 TRP HH2 4.730 . 4.730 3.520 3.296 3.795 . 0 0 "[ . 1 . 2]" 2
748 1 29 VAL HB 1 64 LEU HA 5.060 . 5.060 4.950 4.831 5.087 0.027 15 0 "[ . 1 . 2]" 2
749 1 28 THR HA 1 29 VAL HB 4.980 . 4.980 4.657 4.501 4.802 . 0 0 "[ . 1 . 2]" 2
750 1 23 SER HA 1 29 VAL HB 5.500 . 5.500 5.264 4.891 5.583 0.083 3 0 "[ . 1 . 2]" 2
751 1 29 VAL HB 1 30 LEU HA 5.500 . 5.500 5.054 4.911 5.208 . 0 0 "[ . 1 . 2]" 2
752 1 28 THR HB 1 29 VAL HB 5.040 . 5.040 4.913 4.619 5.174 0.134 14 0 "[ . 1 . 2]" 2
753 1 29 VAL HB 1 64 LEU HB2 4.350 . 4.350 1.978 1.866 2.157 . 0 0 "[ . 1 . 2]" 2
754 1 8 ILE MG 1 29 VAL HB 5.220 . 5.220 4.494 4.235 4.878 . 0 0 "[ . 1 . 2]" 2
755 1 8 ILE MD 1 29 VAL HB 4.820 . 4.820 3.695 3.571 3.815 . 0 0 "[ . 1 . 2]" 2
756 1 58 ARG HA 1 59 LEU HB2 5.500 . 5.500 5.589 5.516 5.659 0.159 7 0 "[ . 1 . 2]" 2
757 1 55 ARG HB2 1 56 GLY H 4.290 . 4.290 4.025 3.653 4.303 0.013 3 0 "[ . 1 . 2]" 2
758 1 46 TYR QE 1 55 ARG HB2 4.980 . 4.980 4.110 3.286 4.735 . 0 0 "[ . 1 . 2]" 2
759 1 62 GLY H 1 63 ILE HG12 4.550 . 4.550 4.514 4.399 4.591 0.041 17 0 "[ . 1 . 2]" 2
760 1 63 ILE HA 1 63 ILE HG12 3.640 . 3.640 3.244 3.225 3.260 . 0 0 "[ . 1 . 2]" 2
761 1 62 GLY HA3 1 63 ILE HG12 4.780 . 4.780 4.061 3.982 4.160 . 0 0 "[ . 1 . 2]" 2
762 1 44 LEU HB2 1 57 VAL HB 5.150 . 5.150 3.728 3.299 4.110 . 0 0 "[ . 1 . 2]" 2
763 1 44 LEU HB2 1 57 VAL MG2 4.510 . 4.510 3.739 3.569 3.883 . 0 0 "[ . 1 . 2]" 2
764 1 47 ARG HB3 1 47 ARG HD2 3.740 . 3.740 2.336 2.046 2.663 . 0 0 "[ . 1 . 2]" 2
765 1 46 TYR QD 1 67 PRO HB3 5.500 . 5.500 5.002 4.103 5.520 0.020 10 0 "[ . 1 . 2]" 2
766 1 66 ALA MB 1 67 PRO HB3 5.040 . 5.040 5.095 5.046 5.205 0.165 1 0 "[ . 1 . 2]" 2
767 1 44 LEU HB3 1 57 VAL MG2 4.420 . 4.420 2.420 2.231 2.633 . 0 0 "[ . 1 . 2]" 2
768 1 45 ARG H 1 77 VAL HB 4.150 . 4.150 3.552 3.246 3.742 . 0 0 "[ . 1 . 2]" 2
769 1 46 TYR H 1 77 VAL HB 5.300 . 5.300 5.118 4.906 5.328 0.028 7 0 "[ . 1 . 2]" 2
770 1 77 VAL HB 1 78 VAL H 4.340 . 4.340 4.177 3.956 4.255 . 0 0 "[ . 1 . 2]" 2
771 1 77 VAL HB 1 78 VAL HA 5.500 . 5.500 5.132 4.993 5.236 . 0 0 "[ . 1 . 2]" 2
772 1 82 LYS H 1 82 LYS QD 4.130 . 4.130 2.696 1.718 3.542 0.082 7 0 "[ . 1 . 2]" 2
773 1 82 LYS QD 1 83 ASP H 4.300 . 4.300 3.112 2.294 4.019 . 0 0 "[ . 1 . 2]" 2
774 1 82 LYS HA 1 82 LYS QD 3.740 . 3.740 3.613 3.453 3.767 0.027 15 0 "[ . 1 . 2]" 2
775 1 34 VAL HA 1 37 GLN QB 5.500 . 5.500 4.369 3.056 5.517 0.017 12 0 "[ . 1 . 2]" 2
776 1 82 LYS QD 1 82 LYS QG 2.400 . 2.400 2.083 2.076 2.090 . 0 0 "[ . 1 . 2]" 2
777 1 45 ARG HB2 1 79 ASN HD21 5.500 . 5.500 4.755 4.374 4.923 . 0 0 "[ . 1 . 2]" 2
778 1 35 THR H 1 36 ALA MB 4.960 . 4.960 4.250 4.183 4.306 . 0 0 "[ . 1 . 2]" 2
779 1 66 ALA HA 1 71 TRP HZ3 4.250 . 4.250 4.004 3.716 4.187 . 0 0 "[ . 1 . 2]" 2
780 1 66 ALA HA 1 71 TRP HH2 4.730 . 4.730 3.661 3.429 3.805 . 0 0 "[ . 1 . 2]" 2
781 1 66 ALA HA 1 71 TRP HE3 4.620 . 4.620 4.206 4.005 4.411 . 0 0 "[ . 1 . 2]" 2
782 1 65 HIS HA 1 66 ALA HA 4.970 . 4.970 4.325 4.292 4.355 . 0 0 "[ . 1 . 2]" 2
783 1 66 ALA HA 1 67 PRO HA 4.630 . 4.630 4.421 4.392 4.447 . 0 0 "[ . 1 . 2]" 2
784 1 66 ALA HA 1 67 PRO HD3 3.610 . 3.610 2.264 1.913 2.374 . 0 0 "[ . 1 . 2]" 2
785 1 66 ALA HA 1 67 PRO HD2 3.640 . 3.640 2.367 2.244 2.683 . 0 0 "[ . 1 . 2]" 2
786 1 57 VAL MG1 1 66 ALA HA 4.060 . 4.060 3.235 3.171 3.330 . 0 0 "[ . 1 . 2]" 2
787 1 46 TYR QD 1 47 ARG HB2 5.310 . 5.310 5.297 5.174 5.404 0.094 19 0 "[ . 1 . 2]" 2
788 1 82 LYS H 1 82 LYS HB3 3.830 . 3.830 2.923 2.672 3.393 . 0 0 "[ . 1 . 2]" 2
789 1 82 LYS HA 1 82 LYS HB3 2.850 . 2.850 2.375 2.325 2.439 . 0 0 "[ . 1 . 2]" 2
790 1 82 LYS HB3 1 82 LYS QE 4.470 . 4.470 4.156 3.905 4.474 0.004 16 0 "[ . 1 . 2]" 2
791 1 45 ARG HB3 1 79 ASN HD21 5.500 . 5.500 5.470 5.276 5.581 0.081 14 0 "[ . 1 . 2]" 2
792 1 58 ARG QB 1 65 HIS HD2 4.870 . 4.870 3.739 3.481 3.971 . 0 0 "[ . 1 . 2]" 2
793 1 58 ARG QB 1 65 HIS HB2 3.990 . 3.990 2.281 2.089 2.533 . 0 0 "[ . 1 . 2]" 2
794 1 66 ALA MB 1 67 PRO HG2 4.620 . 4.620 3.781 3.656 4.214 . 0 0 "[ . 1 . 2]" 2
795 1 19 ILE H 1 19 ILE HB 3.580 . 3.580 2.655 2.494 2.735 . 0 0 "[ . 1 . 2]" 2
796 1 12 GLU QG 1 19 ILE HB 4.800 . 4.800 4.731 4.370 4.889 0.089 20 0 "[ . 1 . 2]" 2
797 1 10 VAL H 1 10 VAL HB 4.030 . 4.030 3.236 2.537 3.759 . 0 0 "[ . 1 . 2]" 2
798 1 8 ILE HG13 1 10 VAL HB 4.900 . 4.900 4.606 2.944 5.069 0.169 3 0 "[ . 1 . 2]" 2
799 1 8 ILE MD 1 10 VAL HB 4.970 . 4.970 4.236 2.960 4.580 . 0 0 "[ . 1 . 2]" 2
800 1 82 LYS H 1 82 LYS HB2 3.830 . 3.830 3.630 3.582 3.767 . 0 0 "[ . 1 . 2]" 2
801 1 75 VAL H 1 75 VAL HB 3.680 . 3.680 3.686 3.651 3.722 0.042 11 0 "[ . 1 . 2]" 2
802 1 75 VAL HB 1 76 TYR QD 5.500 . 5.500 5.197 4.923 5.522 0.022 18 0 "[ . 1 . 2]" 2
803 1 51 GLU HB2 1 53 CYS H 4.440 . 4.440 3.903 3.732 4.146 . 0 0 "[ . 1 . 2]" 2
804 1 8 ILE HG13 1 21 ILE HB 4.840 . 4.840 3.131 2.639 3.695 . 0 0 "[ . 1 . 2]" 2
805 1 59 LEU HB3 1 60 VAL H 5.120 . 5.120 4.082 3.823 4.207 . 0 0 "[ . 1 . 2]" 2
806 1 58 ARG HA 1 59 LEU HB3 5.080 . 5.080 4.325 4.156 4.503 . 0 0 "[ . 1 . 2]" 2
807 1 39 PRO QG 1 40 GLY H 4.930 . 4.930 4.707 4.561 4.876 . 0 0 "[ . 1 . 2]" 2
808 1 38 PHE HA 1 39 PRO QG 3.920 . 3.920 3.896 3.806 3.980 0.060 8 0 "[ . 1 . 2]" 2
809 1 30 LEU HB3 1 33 THR MG 5.070 . 5.070 4.545 4.228 4.941 . 0 0 "[ . 1 . 2]" 2
810 1 14 GLU H 1 14 GLU QB 3.750 . 3.750 2.594 2.518 2.681 . 0 0 "[ . 1 . 2]" 2
811 1 14 GLU QB 1 15 ASN H 4.360 . 4.360 3.738 3.601 3.817 . 0 0 "[ . 1 . 2]" 2
812 1 81 PRO HB3 1 83 ASP H 5.210 . 5.210 3.883 3.666 4.068 . 0 0 "[ . 1 . 2]" 2
813 1 49 PRO HB3 1 50 VAL H 4.570 . 4.570 4.452 4.367 4.522 . 0 0 "[ . 1 . 2]" 2
814 1 57 VAL HB 1 71 TRP HH2 5.040 . 5.040 3.822 3.666 4.102 . 0 0 "[ . 1 . 2]" 2
815 1 44 LEU HA 1 57 VAL HB 5.330 . 5.330 5.010 4.820 5.375 0.045 18 0 "[ . 1 . 2]" 2
816 1 48 ASN HA 1 49 PRO HB3 5.030 . 5.030 4.789 4.646 4.940 . 0 0 "[ . 1 . 2]" 2
817 1 39 PRO HB3 1 40 GLY H 4.120 . 4.120 4.005 3.559 4.188 0.068 3 0 "[ . 1 . 2]" 2
818 1 45 ARG HA 1 57 VAL HB 5.500 . 5.500 5.209 4.792 5.555 0.055 4 0 "[ . 1 . 2]" 2
819 1 44 LEU HB3 1 57 VAL HB 3.510 . 3.510 2.187 1.986 2.605 . 0 0 "[ . 1 . 2]" 2
820 1 17 GLU QB 1 18 PRO HD2 3.680 . 3.680 2.464 2.053 2.970 . 0 0 "[ . 1 . 2]" 2
821 1 61 GLU HB3 1 62 GLY H 4.630 . 4.630 4.458 4.432 4.485 . 0 0 "[ . 1 . 2]" 2
822 1 60 VAL HB 1 61 GLU H 4.430 . 4.430 4.337 4.259 4.415 . 0 0 "[ . 1 . 2]" 2
823 1 60 VAL HB 1 65 HIS HD2 4.070 . 4.070 3.356 2.635 3.981 . 0 0 "[ . 1 . 2]" 2
824 1 59 LEU HA 1 60 VAL HB 4.700 . 4.700 4.474 4.395 4.547 . 0 0 "[ . 1 . 2]" 2
825 1 49 PRO HG2 1 50 VAL H 3.650 . 3.650 3.175 2.920 3.417 . 0 0 "[ . 1 . 2]" 2
826 1 79 ASN HB2 1 80 TYR H 4.690 . 4.690 4.512 4.423 4.573 . 0 0 "[ . 1 . 2]" 2
827 1 43 GLY H 1 79 ASN HB2 4.180 . 4.180 4.098 3.978 4.260 0.080 18 0 "[ . 1 . 2]" 2
828 1 44 LEU HA 1 79 ASN HB2 4.750 . 4.750 3.760 3.204 3.954 . 0 0 "[ . 1 . 2]" 2
829 1 43 GLY HA3 1 79 ASN HB2 4.410 . 4.410 2.248 2.089 2.415 . 0 0 "[ . 1 . 2]" 2
830 1 78 VAL HA 1 79 ASN HB2 4.490 . 4.490 4.282 4.134 4.327 . 0 0 "[ . 1 . 2]" 2
831 1 43 GLY HA2 1 79 ASN HB2 4.690 . 4.690 3.739 3.625 3.823 . 0 0 "[ . 1 . 2]" 2
832 1 41 ALA MB 1 79 ASN HB2 5.160 . 5.160 4.738 4.522 4.952 . 0 0 "[ . 1 . 2]" 2
833 1 24 GLU HB3 1 25 ASP H 4.640 . 4.640 3.565 2.875 3.846 . 0 0 "[ . 1 . 2]" 2
834 1 11 THR HA 1 12 GLU HB3 4.950 . 4.950 4.757 4.621 4.879 . 0 0 "[ . 1 . 2]" 2
835 1 12 GLU HB3 1 78 VAL HB 4.580 . 4.580 4.426 3.279 4.813 0.233 17 0 "[ . 1 . 2]" 2
836 1 12 GLU HB3 1 78 VAL MG2 4.470 . 4.470 4.348 3.517 4.611 0.141 15 0 "[ . 1 . 2]" 2
837 1 14 GLU H 1 14 GLU QG 3.260 . 3.260 1.924 1.786 2.027 0.014 20 0 "[ . 1 . 2]" 2
838 1 13 ASP HA 1 14 GLU QG 3.710 . 3.710 3.732 3.601 3.811 0.101 11 0 "[ . 1 . 2]" 2
839 1 52 GLN HB3 1 53 CYS H 4.780 . 4.780 4.402 4.334 4.473 . 0 0 "[ . 1 . 2]" 2
840 1 24 GLU HB2 1 25 ASP H 4.600 . 4.600 3.977 3.868 4.108 . 0 0 "[ . 1 . 2]" 2
841 1 63 ILE HB 1 63 ILE MD 3.270 . 3.270 3.239 3.233 3.243 . 0 0 "[ . 1 . 2]" 2
842 1 12 GLU H 1 12 GLU HB2 4.030 . 4.030 3.606 3.544 3.669 . 0 0 "[ . 1 . 2]" 2
843 1 61 GLU HB2 1 62 GLY H 4.630 . 4.630 4.122 4.073 4.190 . 0 0 "[ . 1 . 2]" 2
844 1 81 PRO HG2 1 82 LYS H 4.390 . 4.390 4.190 3.708 4.497 0.107 7 0 "[ . 1 . 2]" 2
845 1 80 TYR HA 1 81 PRO HG2 4.340 . 4.340 4.267 4.159 4.328 . 0 0 "[ . 1 . 2]" 2
846 1 80 TYR QB 1 81 PRO HG2 4.830 . 4.830 4.477 3.906 4.844 0.014 17 0 "[ . 1 . 2]" 2
847 1 48 ASN HD22 1 51 GLU HB3 5.410 . 5.410 4.604 4.384 5.011 . 0 0 "[ . 1 . 2]" 2
848 1 51 GLU HB3 1 53 CYS H 5.500 . 5.500 4.721 4.561 4.904 . 0 0 "[ . 1 . 2]" 2
849 1 81 PRO HB2 1 82 LYS QE 3.970 . 3.970 3.782 3.226 4.213 0.243 6 0 "[ . 1 . 2]" 2
850 1 49 PRO HB2 1 52 GLN HE21 4.540 . 4.540 4.442 4.220 4.567 0.027 14 0 "[ . 1 . 2]" 2
851 1 46 TYR QE 1 67 PRO HB2 5.500 . 5.500 4.496 3.278 5.363 . 0 0 "[ . 1 . 2]" 2
852 1 66 ALA MB 1 67 PRO HB2 5.050 . 5.050 4.948 4.331 5.088 0.038 13 0 "[ . 1 . 2]" 2
853 1 49 PRO HB2 1 50 VAL H 4.070 . 4.070 3.858 3.636 4.003 . 0 0 "[ . 1 . 2]" 2
854 1 17 GLU H 1 17 GLU QG 3.390 . 3.390 2.816 2.218 3.526 0.136 5 0 "[ . 1 . 2]" 2
855 1 11 THR HA 1 12 GLU QG 4.900 . 4.900 3.667 3.464 3.863 . 0 0 "[ . 1 . 2]" 2
856 1 16 ASP HA 1 17 GLU QG 4.620 . 4.620 4.236 3.895 4.786 0.166 2 0 "[ . 1 . 2]" 2
857 1 17 GLU HA 1 17 GLU QG 3.220 . 3.220 2.602 2.245 3.325 0.105 15 0 "[ . 1 . 2]" 2
858 1 17 GLU QG 1 18 PRO HD2 3.550 . 3.550 3.424 2.597 3.727 0.177 10 0 "[ . 1 . 2]" 2
859 1 67 PRO HD2 1 71 TRP HZ3 5.170 . 5.170 4.772 4.431 5.113 . 0 0 "[ . 1 . 2]" 2
860 1 57 VAL MG1 1 67 PRO HD2 4.760 . 4.760 4.491 4.230 4.774 0.014 11 0 "[ . 1 . 2]" 2
861 1 46 TYR HB3 1 54 MET ME 5.500 . 5.500 5.116 4.561 5.713 0.213 16 0 "[ . 1 . 2]" 2
862 1 12 GLU HA 1 12 GLU QG 3.740 . 3.740 3.336 3.299 3.362 . 0 0 "[ . 1 . 2]" 2
863 1 44 LEU H 1 79 ASN HB3 5.250 . 5.250 5.113 4.626 5.318 0.068 5 0 "[ . 1 . 2]" 2
864 1 79 ASN HB3 1 80 TYR H 3.790 . 3.790 3.711 3.513 3.897 0.107 4 0 "[ . 1 . 2]" 2
865 1 43 GLY HA3 1 79 ASN HB3 4.250 . 4.250 3.314 3.081 3.446 . 0 0 "[ . 1 . 2]" 2
866 1 79 ASN HB3 1 81 PRO QD 4.790 . 4.790 4.604 4.145 4.931 0.141 14 0 "[ . 1 . 2]" 2
867 1 43 GLY HA2 1 79 ASN HB3 5.230 . 5.230 5.035 4.779 5.155 . 0 0 "[ . 1 . 2]" 2
868 1 41 ALA MB 1 79 ASN HB3 5.020 . 5.020 4.763 4.540 4.949 . 0 0 "[ . 1 . 2]" 2
869 1 34 VAL HB 1 35 THR H 4.300 . 4.300 2.477 2.322 2.643 . 0 0 "[ . 1 . 2]" 2
870 1 34 VAL HB 1 36 ALA H 5.020 . 5.020 4.732 4.625 4.843 . 0 0 "[ . 1 . 2]" 2
871 1 83 ASP H 1 83 ASP HB3 3.190 . 3.190 2.633 2.359 2.812 . 0 0 "[ . 1 . 2]" 2
872 1 13 ASP HB3 1 14 GLU H 4.770 . 4.770 3.922 3.494 4.248 . 0 0 "[ . 1 . 2]" 2
873 1 68 ASP H 1 68 ASP HB3 3.790 . 3.790 3.302 2.525 3.637 . 0 0 "[ . 1 . 2]" 2
874 1 68 ASP HB3 1 69 ALA H 3.740 . 3.740 3.276 2.197 3.825 0.085 4 0 "[ . 1 . 2]" 2
875 1 25 ASP QB 1 26 ASP H 3.790 . 3.790 3.210 2.796 3.781 . 0 0 "[ . 1 . 2]" 2
876 1 24 GLU QG 1 25 ASP QB 4.000 . 4.000 3.697 3.134 4.318 0.318 1 0 "[ . 1 . 2]" 2
877 1 64 LEU HB3 1 65 HIS HB2 5.470 . 5.470 5.387 5.220 5.505 0.035 9 0 "[ . 1 . 2]" 2
878 1 28 THR MG 1 65 HIS HB2 4.640 . 4.640 4.336 4.227 4.530 . 0 0 "[ . 1 . 2]" 2
879 1 83 ASP H 1 83 ASP HB2 3.190 . 3.190 2.932 2.530 3.324 0.134 6 0 "[ . 1 . 2]" 2
880 1 13 ASP HB2 1 14 GLU H 4.770 . 4.770 4.149 3.095 4.466 . 0 0 "[ . 1 . 2]" 2
881 1 16 ASP H 1 16 ASP HB3 3.880 . 3.880 3.225 2.613 3.678 . 0 0 "[ . 1 . 2]" 2
882 1 16 ASP HB3 1 17 GLU QB 4.980 . 4.980 4.041 3.724 5.025 0.045 2 0 "[ . 1 . 2]" 2
883 1 73 ASN HB2 1 74 LEU MD2 4.460 . 4.460 3.829 3.482 4.051 . 0 0 "[ . 1 . 2]" 2
884 1 44 LEU HB2 1 76 TYR HB3 5.350 . 5.350 5.131 4.840 5.401 0.051 16 0 "[ . 1 . 2]" 2
885 1 16 ASP H 1 16 ASP HB2 3.880 . 3.880 2.583 2.310 3.663 . 0 0 "[ . 1 . 2]" 2
886 1 53 CYS HB3 1 54 MET H 4.210 . 4.210 3.692 3.285 3.913 . 0 0 "[ . 1 . 2]" 2
887 1 48 ASN HD22 1 53 CYS HB3 4.630 . 4.630 2.284 1.825 2.926 . 0 0 "[ . 1 . 2]" 2
888 1 51 GLU QG 1 53 CYS HB3 4.440 . 4.440 2.165 1.993 2.358 . 0 0 "[ . 1 . 2]" 2
889 1 51 GLU HB2 1 53 CYS HB3 4.720 . 4.720 4.099 3.843 4.356 . 0 0 "[ . 1 . 2]" 2
890 1 72 GLY H 1 73 ASN HB3 5.170 . 5.170 5.072 4.870 5.203 0.033 19 0 "[ . 1 . 2]" 2
891 1 72 GLY QA 1 73 ASN HB3 4.420 . 4.420 4.243 4.141 4.425 0.005 1 0 "[ . 1 . 2]" 2
892 1 73 ASN HB3 1 74 LEU MD2 5.500 . 5.500 5.082 4.842 5.279 . 0 0 "[ . 1 . 2]" 2
893 1 58 ARG QB 1 65 HIS HB3 4.150 . 4.150 3.449 2.925 3.896 . 0 0 "[ . 1 . 2]" 2
894 1 58 ARG QG 1 65 HIS HB3 5.170 . 5.170 4.648 4.141 5.172 0.002 16 0 "[ . 1 . 2]" 2
895 1 57 VAL MG1 1 65 HIS HB3 5.230 . 5.230 4.619 4.286 4.885 . 0 0 "[ . 1 . 2]" 2
896 1 28 THR MG 1 65 HIS HB3 4.870 . 4.870 3.833 3.532 4.211 . 0 0 "[ . 1 . 2]" 2
897 1 67 PRO HD3 1 68 ASP H 5.500 . 5.500 5.368 5.245 5.461 . 0 0 "[ . 1 . 2]" 2
898 1 67 PRO HD3 1 71 TRP HZ3 4.840 . 4.840 3.902 3.465 4.290 . 0 0 "[ . 1 . 2]" 2
899 1 67 PRO HD3 1 71 TRP HA 4.630 . 4.630 4.134 3.815 4.398 . 0 0 "[ . 1 . 2]" 2
900 1 57 VAL MG2 1 67 PRO HD3 5.270 . 5.270 3.610 3.098 3.982 . 0 0 "[ . 1 . 2]" 2
901 1 57 VAL MG1 1 67 PRO HD3 5.460 . 5.460 3.224 2.895 3.494 . 0 0 "[ . 1 . 2]" 2
902 1 53 CYS HB2 1 54 MET H 4.210 . 4.210 3.907 3.777 4.014 . 0 0 "[ . 1 . 2]" 2
903 1 48 ASN HD22 1 53 CYS HB2 4.630 . 4.630 3.633 3.180 4.171 . 0 0 "[ . 1 . 2]" 2
904 1 51 GLU QG 1 53 CYS HB2 4.440 . 4.440 2.693 2.426 2.901 . 0 0 "[ . 1 . 2]" 2
905 1 51 GLU HB2 1 53 CYS HB2 4.720 . 4.720 3.655 3.400 3.833 . 0 0 "[ . 1 . 2]" 2
906 1 82 LYS H 1 82 LYS QE 4.810 . 4.810 3.175 2.596 3.574 . 0 0 "[ . 1 . 2]" 2
907 1 82 LYS HA 1 82 LYS QE 4.940 . 4.940 5.027 4.845 5.134 0.194 18 0 "[ . 1 . 2]" 2
908 1 81 PRO HB3 1 82 LYS QE 4.520 . 4.520 4.482 3.968 4.716 0.196 1 0 "[ . 1 . 2]" 2
909 1 82 LYS HB2 1 82 LYS QE 4.470 . 4.470 4.174 3.976 4.502 0.032 2 0 "[ . 1 . 2]" 2
910 1 82 LYS QE 1 82 LYS QG 2.830 . 2.830 2.167 2.093 2.313 . 0 0 "[ . 1 . 2]" 2
911 1 10 VAL MG2 1 76 TYR HB2 4.580 . 4.580 3.497 2.089 4.600 0.020 8 0 "[ . 1 . 2]" 2
912 1 58 ARG H 1 58 ARG HD3 4.570 . 4.570 3.764 3.194 4.523 . 0 0 "[ . 1 . 2]" 2
913 1 58 ARG HD2 1 59 LEU H 5.000 . 5.000 4.043 3.293 5.156 0.156 19 0 "[ . 1 . 2]" 2
914 1 58 ARG HA 1 58 ARG HD2 4.630 . 4.630 2.828 1.981 3.669 . 0 0 "[ . 1 . 2]" 2
915 1 47 ARG H 1 47 ARG HD2 4.150 . 4.150 4.261 4.172 4.394 0.244 1 0 "[ . 1 . 2]" 2
916 1 47 ARG HD3 1 53 CYS H 4.710 . 4.710 4.642 4.275 4.770 0.060 7 0 "[ . 1 . 2]" 2
917 1 47 ARG HD3 1 52 GLN HA 3.770 . 3.770 2.239 1.907 2.995 . 0 0 "[ . 1 . 2]" 2
918 1 47 ARG HB2 1 47 ARG HD2 3.740 . 3.740 3.523 3.223 3.738 . 0 0 "[ . 1 . 2]" 2
919 1 35 THR HA 1 38 PHE QB 4.970 . 4.970 3.277 2.965 3.658 . 0 0 "[ . 1 . 2]" 2
920 1 34 VAL HA 1 38 PHE QB 5.220 . 5.220 4.301 3.954 4.692 . 0 0 "[ . 1 . 2]" 2
921 1 34 VAL MG1 1 38 PHE QB 4.570 . 4.570 2.529 2.354 2.724 . 0 0 "[ . 1 . 2]" 2
922 1 55 ARG H 1 55 ARG QD 4.970 . 4.970 4.650 4.393 5.037 0.067 8 0 "[ . 1 . 2]" 2
923 1 46 TYR QD 1 55 ARG QD 5.060 . 5.060 4.679 3.989 5.285 0.225 20 0 "[ . 1 . 2]" 2
924 1 46 TYR QE 1 55 ARG QD 4.490 . 4.490 3.125 2.393 3.952 . 0 0 "[ . 1 . 2]" 2
925 1 55 ARG HA 1 55 ARG QD 3.590 . 3.590 3.326 2.097 4.062 0.472 4 0 "[ . 1 . 2]" 2
926 1 55 ARG QD 1 56 GLY HA2 5.100 . 5.100 4.706 3.677 5.325 0.225 2 0 "[ . 1 . 2]" 2
927 1 55 ARG HB3 1 55 ARG QD 3.780 . 3.780 2.257 2.177 2.333 . 0 0 "[ . 1 . 2]" 2
928 1 71 TRP HB2 1 72 GLY H 5.230 . 5.230 2.280 2.148 2.437 . 0 0 "[ . 1 . 2]" 2
929 1 31 LEU H 1 62 GLY HA3 5.220 . 5.220 3.836 3.647 4.052 . 0 0 "[ . 1 . 2]" 2
930 1 61 GLU HA 1 62 GLY HA3 4.510 . 4.510 4.352 4.329 4.384 . 0 0 "[ . 1 . 2]" 2
931 1 61 GLU HB2 1 62 GLY HA3 5.110 . 5.110 4.981 4.876 5.051 . 0 0 "[ . 1 . 2]" 2
932 1 61 GLU HB3 1 62 GLY HA3 5.110 . 5.110 4.840 4.755 4.914 . 0 0 "[ . 1 . 2]" 2
933 1 33 THR HB 1 34 VAL HA 4.880 . 4.880 4.253 4.165 4.302 . 0 0 "[ . 1 . 2]" 2
934 1 34 VAL HA 1 36 ALA MB 4.550 . 4.550 4.465 4.224 4.593 0.043 19 0 "[ . 1 . 2]" 2
935 1 33 THR MG 1 34 VAL HA 3.990 . 3.990 3.763 3.593 3.928 . 0 0 "[ . 1 . 2]" 2
936 1 34 VAL HA 1 34 VAL MG2 2.930 . 2.930 2.416 2.397 2.437 . 0 0 "[ . 1 . 2]" 2
937 1 17 GLU H 1 18 PRO HD2 4.840 . 4.840 4.888 4.754 5.069 0.229 3 0 "[ . 1 . 2]" 2
938 1 39 PRO HB2 1 40 GLY HA3 4.820 . 4.820 4.205 4.080 4.338 . 0 0 "[ . 1 . 2]" 2
939 1 56 GLY HA2 1 57 VAL HB 4.910 . 4.910 4.766 4.699 4.825 . 0 0 "[ . 1 . 2]" 2
940 1 43 GLY HA2 1 44 LEU HB2 4.430 . 4.430 4.057 3.854 4.145 . 0 0 "[ . 1 . 2]" 2
941 1 11 THR HB 1 14 GLU H 5.500 . 5.500 5.334 4.715 5.564 0.064 10 0 "[ . 1 . 2]" 2
942 1 11 THR HB 1 18 PRO HA 4.880 . 4.880 4.302 3.940 4.494 . 0 0 "[ . 1 . 2]" 2
943 1 11 THR HB 1 14 GLU QB 5.430 . 5.430 4.761 4.225 5.239 . 0 0 "[ . 1 . 2]" 2
944 1 48 ASN HB2 1 49 PRO HD2 5.000 . 5.000 2.830 2.635 3.086 . 0 0 "[ . 1 . 2]" 2
945 1 14 GLU HA 1 16 ASP H 4.170 . 4.170 3.901 3.397 4.195 0.025 13 0 "[ . 1 . 2]" 2
946 1 11 THR HB 1 14 GLU HA 4.690 . 4.690 4.167 3.353 4.585 . 0 0 "[ . 1 . 2]" 2
947 1 14 GLU HA 1 14 GLU QG 3.360 . 3.360 3.329 3.308 3.337 . 0 0 "[ . 1 . 2]" 2
948 1 26 ASP H 1 27 GLY HA2 5.430 . 5.430 4.924 4.828 5.064 . 0 0 "[ . 1 . 2]" 2
949 1 71 TRP HB3 1 72 GLY QA 5.500 . 5.500 3.927 3.827 4.103 . 0 0 "[ . 1 . 2]" 2
950 1 77 VAL HA 1 78 VAL HA 5.370 . 5.370 4.365 4.339 4.381 . 0 0 "[ . 1 . 2]" 2
951 1 78 VAL HA 1 79 ASN HA 5.500 . 5.500 4.282 4.217 4.349 . 0 0 "[ . 1 . 2]" 2
952 1 34 VAL MG1 1 78 VAL HA 4.530 . 4.530 4.026 3.776 4.278 . 0 0 "[ . 1 . 2]" 2
953 1 44 LEU MD1 1 78 VAL HA 5.450 . 5.450 2.940 2.221 4.528 . 0 0 "[ . 1 . 2]" 2
954 1 44 LEU MD2 1 78 VAL HA 5.450 . 5.450 4.496 3.916 4.844 . 0 0 "[ . 1 . 2]" 2
955 1 51 GLU H 1 52 GLN HA 4.340 . 4.340 4.300 4.173 4.411 0.071 6 0 "[ . 1 . 2]" 2
956 1 52 GLN HA 1 52 GLN HE21 4.760 . 4.760 2.774 2.588 2.892 . 0 0 "[ . 1 . 2]" 2
957 1 52 GLN HA 1 53 CYS HA 4.910 . 4.910 4.557 4.529 4.580 . 0 0 "[ . 1 . 2]" 2
958 1 49 PRO HA 1 52 GLN HA 3.690 . 3.690 3.580 3.382 3.747 0.057 19 0 "[ . 1 . 2]" 2
959 1 52 GLN HA 1 52 GLN HB3 2.760 . 2.760 2.461 2.411 2.572 . 0 0 "[ . 1 . 2]" 2
960 1 47 ARG QG 1 52 GLN HA 4.020 . 4.020 2.755 2.495 2.962 . 0 0 "[ . 1 . 2]" 2
961 1 80 TYR QE 1 81 PRO QD 4.690 . 4.690 3.828 3.611 3.951 . 0 0 "[ . 1 . 2]" 2
962 1 41 ALA HA 1 81 PRO QD 3.170 . 3.170 2.069 1.845 2.362 . 0 0 "[ . 1 . 2]" 2
963 1 80 TYR QB 1 81 PRO QD 3.780 . 3.780 3.016 2.646 3.244 . 0 0 "[ . 1 . 2]" 2
964 1 50 VAL HA 1 52 GLN H 5.010 . 5.010 4.466 4.337 4.583 . 0 0 "[ . 1 . 2]" 2
965 1 49 PRO HA 1 50 VAL HA 4.860 . 4.860 4.678 4.586 4.733 . 0 0 "[ . 1 . 2]" 2
966 1 31 LEU HA 1 35 THR H 4.830 . 4.830 4.095 3.995 4.232 . 0 0 "[ . 1 . 2]" 2
967 1 30 LEU HA 1 31 LEU HA 4.550 . 4.550 4.346 4.292 4.388 . 0 0 "[ . 1 . 2]" 2
968 1 31 LEU HA 1 34 VAL HA 5.410 . 5.410 5.091 4.919 5.211 . 0 0 "[ . 1 . 2]" 2
969 1 31 LEU HA 1 34 VAL HB 3.870 . 3.870 2.692 2.523 2.824 . 0 0 "[ . 1 . 2]" 2
970 1 31 LEU HA 1 35 THR MG 4.110 . 4.110 4.120 3.975 4.157 0.047 5 0 "[ . 1 . 2]" 2
971 1 37 GLN HA 1 38 PHE HA 4.910 . 4.910 4.523 4.453 4.573 . 0 0 "[ . 1 . 2]" 2
972 1 36 ALA MB 1 37 GLN HA 3.850 . 3.850 3.854 3.746 3.907 0.057 20 0 "[ . 1 . 2]" 2
973 1 28 THR HB 1 63 ILE HA 5.120 . 5.120 4.153 4.050 4.341 . 0 0 "[ . 1 . 2]" 2
974 1 28 THR HB 1 63 ILE HB 5.000 . 5.000 4.428 4.248 4.600 . 0 0 "[ . 1 . 2]" 2
975 1 28 THR HB 1 29 VAL MG2 4.900 . 4.900 4.617 4.405 4.902 0.002 14 0 "[ . 1 . 2]" 2
976 1 17 GLU QG 1 18 PRO HD3 4.470 . 4.470 4.142 3.555 4.616 0.146 17 0 "[ . 1 . 2]" 2
977 1 17 GLU QB 1 18 PRO HD3 3.600 . 3.600 3.569 3.279 3.732 0.132 4 0 "[ . 1 . 2]" 2
978 1 11 THR MG 1 18 PRO HD3 4.460 . 4.460 4.020 3.614 4.468 0.008 20 0 "[ . 1 . 2]" 2
979 1 58 ARG HA 1 59 LEU HA 4.590 . 4.590 4.341 4.301 4.391 . 0 0 "[ . 1 . 2]" 2
980 1 58 ARG HA 1 58 ARG HD3 4.630 . 4.630 2.313 2.039 3.623 . 0 0 "[ . 1 . 2]" 2
981 1 31 LEU HA 1 34 VAL MG2 3.680 . 3.680 2.374 2.205 2.536 . 0 0 "[ . 1 . 2]" 2
982 1 33 THR HA 1 36 ALA H 5.030 . 5.030 3.597 3.463 3.725 . 0 0 "[ . 1 . 2]" 2
983 1 33 THR HA 1 33 THR MG 3.690 . 3.690 2.352 2.308 2.372 . 0 0 "[ . 1 . 2]" 2
984 1 66 ALA MB 1 68 ASP HA 5.500 . 5.500 5.495 5.213 5.713 0.213 17 0 "[ . 1 . 2]" 2
985 1 24 GLU HA 1 25 ASP H 3.420 . 3.420 2.342 2.255 2.500 . 0 0 "[ . 1 . 2]" 2
986 1 24 GLU HA 1 26 ASP H 4.290 . 4.290 3.965 3.705 4.217 . 0 0 "[ . 1 . 2]" 2
987 1 24 GLU HA 1 24 GLU QG 3.290 . 3.290 2.682 2.207 3.085 . 0 0 "[ . 1 . 2]" 2
988 1 75 VAL HA 1 76 TYR QE 5.500 . 5.500 4.537 4.163 4.982 . 0 0 "[ . 1 . 2]" 2
989 1 10 VAL HA 1 75 VAL HA 5.310 . 5.310 5.148 4.750 5.419 0.109 4 0 "[ . 1 . 2]" 2
990 1 75 VAL HA 1 76 TYR HB2 4.530 . 4.530 4.419 4.280 4.501 . 0 0 "[ . 1 . 2]" 2
991 1 35 THR H 1 36 ALA HA 5.200 . 5.200 5.204 5.089 5.236 0.036 1 0 "[ . 1 . 2]" 2
992 1 41 ALA HA 1 80 TYR QE 4.510 . 4.510 4.547 4.254 4.617 0.107 8 0 "[ . 1 . 2]" 2
993 1 34 VAL H 1 35 THR HA 5.500 . 5.500 5.203 5.139 5.304 . 0 0 "[ . 1 . 2]" 2
994 1 35 THR HA 1 37 GLN H 4.800 . 4.800 4.446 4.127 4.825 0.025 12 0 "[ . 1 . 2]" 2
995 1 35 THR HA 1 38 PHE HA 5.090 . 5.090 4.925 4.682 5.135 0.045 19 0 "[ . 1 . 2]" 2
996 1 34 VAL HB 1 35 THR HA 4.480 . 4.480 4.208 4.146 4.287 . 0 0 "[ . 1 . 2]" 2
997 1 49 PRO HD3 1 50 VAL H 4.510 . 4.510 4.035 3.938 4.127 . 0 0 "[ . 1 . 2]" 2
998 1 46 TYR QE 1 49 PRO HD3 5.460 . 5.460 4.670 3.912 5.185 . 0 0 "[ . 1 . 2]" 2
999 1 47 ARG HD2 1 49 PRO HD3 5.090 . 5.090 4.379 3.648 5.027 . 0 0 "[ . 1 . 2]" 2
1000 1 47 ARG HD3 1 49 PRO HD3 5.500 . 5.500 5.249 4.000 5.585 0.085 7 0 "[ . 1 . 2]" 2
1001 1 49 PRO HD3 1 74 LEU MD2 3.900 . 3.900 2.238 1.897 2.651 . 0 0 "[ . 1 . 2]" 2
1002 1 7 TYR QD 1 22 PRO HA 4.860 . 4.860 3.270 2.302 3.822 . 0 0 "[ . 1 . 2]" 2
1003 1 55 ARG QD 1 57 VAL HA 5.070 . 5.070 4.469 3.551 5.322 0.252 19 0 "[ . 1 . 2]" 2
1004 1 7 TYR QB 1 22 PRO HA 4.650 . 4.650 4.337 3.845 4.877 0.227 14 0 "[ . 1 . 2]" 2
1005 1 61 GLU HA 1 62 GLY HA2 5.010 . 5.010 4.673 4.586 4.725 . 0 0 "[ . 1 . 2]" 2
1006 1 69 ALA HA 1 70 GLY HA3 4.710 . 4.710 4.499 4.423 4.622 . 0 0 "[ . 1 . 2]" 2
1007 1 24 GLU H 1 25 ASP HA 5.500 . 5.500 5.524 5.417 5.630 0.130 13 0 "[ . 1 . 2]" 2
1008 1 25 ASP HA 1 25 ASP QB 2.640 . 2.640 2.317 2.176 2.442 . 0 0 "[ . 1 . 2]" 2
1009 1 66 ALA MB 1 67 PRO HA 4.610 . 4.610 4.396 4.366 4.435 . 0 0 "[ . 1 . 2]" 2
1010 1 5 SER HA 1 6 GLU H 2.800 . 2.800 2.250 2.093 2.842 0.042 19 0 "[ . 1 . 2]" 2
1011 1 49 PRO HA 1 52 GLN H 4.170 . 4.170 3.551 3.422 3.669 . 0 0 "[ . 1 . 2]" 2
1012 1 49 PRO HA 1 50 VAL H 3.390 . 3.390 3.339 3.255 3.440 0.050 11 0 "[ . 1 . 2]" 2
1013 1 48 ASN HA 1 49 PRO HA 4.470 . 4.470 4.379 4.334 4.421 . 0 0 "[ . 1 . 2]" 2
1014 1 47 ARG HD3 1 49 PRO HA 4.310 . 4.310 3.411 2.976 3.818 . 0 0 "[ . 1 . 2]" 2
1015 1 11 THR HA 1 12 GLU HA 4.490 . 4.490 4.372 4.320 4.400 . 0 0 "[ . 1 . 2]" 2
1016 1 60 VAL HA 1 62 GLY H 4.160 . 4.160 3.795 3.658 3.938 . 0 0 "[ . 1 . 2]" 2
1017 1 28 THR HA 1 29 VAL HA 4.460 . 4.460 4.422 4.356 4.471 0.011 7 0 "[ . 1 . 2]" 2
1018 1 60 VAL HA 1 61 GLU QG 3.670 . 3.670 3.688 3.562 3.760 0.090 7 0 "[ . 1 . 2]" 2
1019 1 60 VAL HA 1 60 VAL MG2 3.290 . 3.290 2.402 2.369 2.433 . 0 0 "[ . 1 . 2]" 2
1020 1 29 VAL HA 1 71 TRP HZ2 4.970 . 4.970 4.784 4.615 4.940 . 0 0 "[ . 1 . 2]" 2
1021 1 32 SER HA 1 35 THR MG 3.780 . 3.780 3.371 3.094 3.644 . 0 0 "[ . 1 . 2]" 2
1022 1 51 GLU HA 1 52 GLN H 3.310 . 3.310 3.203 3.154 3.260 . 0 0 "[ . 1 . 2]" 2
1023 1 51 GLU HA 1 53 CYS H 4.540 . 4.540 4.442 4.314 4.550 0.010 3 0 "[ . 1 . 2]" 2
1024 1 6 GLU HA 1 6 GLU QG 2.740 . 2.740 2.581 2.312 2.922 0.182 6 0 "[ . 1 . 2]" 2
1025 1 51 GLU HA 1 51 GLU HB3 2.980 . 2.980 2.384 2.350 2.423 . 0 0 "[ . 1 . 2]" 2
1026 1 6 GLU HA 1 7 TYR QB 4.090 . 4.090 3.896 3.696 4.020 . 0 0 "[ . 1 . 2]" 2
1027 1 6 GLU HA 1 8 ILE MG 5.460 . 5.460 5.227 4.882 5.530 0.070 9 0 "[ . 1 . 2]" 2
1028 1 6 GLU HA 1 7 TYR H 2.750 . 2.750 2.306 2.117 2.509 . 0 0 "[ . 1 . 2]" 2
1029 1 82 LYS HA 1 82 LYS QG 3.540 . 3.540 3.445 3.382 3.483 . 0 0 "[ . 1 . 2]" 2
1030 1 42 CYS HA 1 43 GLY HA3 5.260 . 5.260 4.448 4.429 4.475 . 0 0 "[ . 1 . 2]" 2
1031 1 6 GLU HA 1 7 TYR HA 4.460 . 4.460 4.386 4.322 4.452 . 0 0 "[ . 1 . 2]" 2
1032 1 26 ASP H 1 27 GLY HA3 5.430 . 5.430 5.216 5.126 5.317 . 0 0 "[ . 1 . 2]" 2
1033 1 81 PRO HA 1 82 LYS H 2.810 . 2.810 2.466 2.206 2.728 . 0 0 "[ . 1 . 2]" 2
1034 1 81 PRO HA 1 83 ASP H 4.620 . 4.620 4.016 3.839 4.191 . 0 0 "[ . 1 . 2]" 2
1035 1 80 TYR HA 1 81 PRO HA 4.590 . 4.590 4.441 4.407 4.483 . 0 0 "[ . 1 . 2]" 2
1036 1 80 TYR QB 1 81 PRO HA 4.780 . 4.780 4.617 4.506 4.702 . 0 0 "[ . 1 . 2]" 2
1037 1 81 PRO HA 1 82 LYS QG 4.320 . 4.320 4.198 3.759 4.513 0.193 15 0 "[ . 1 . 2]" 2
1038 1 47 ARG HA 1 48 ASN HD21 4.840 . 4.840 4.227 4.071 4.389 . 0 0 "[ . 1 . 2]" 2
1039 1 47 ARG HA 1 48 ASN HD22 5.060 . 5.060 4.725 4.510 4.905 . 0 0 "[ . 1 . 2]" 2
1040 1 47 ARG HA 1 53 CYS H 5.500 . 5.500 4.950 4.727 5.152 . 0 0 "[ . 1 . 2]" 2
1041 1 47 ARG HA 1 47 ARG HD2 4.290 . 4.290 4.110 3.731 4.404 0.114 4 0 "[ . 1 . 2]" 2
1042 1 47 ARG HA 1 47 ARG QG 3.420 . 3.420 2.534 2.438 2.623 . 0 0 "[ . 1 . 2]" 2
1043 1 46 TYR QE 1 55 ARG HA 5.460 . 5.460 5.237 4.691 5.512 0.052 18 0 "[ . 1 . 2]" 2
1044 1 11 THR HA 1 19 ILE HA 5.400 . 5.400 5.213 4.931 5.357 . 0 0 "[ . 1 . 2]" 2
1045 1 19 ILE HA 1 19 ILE HG12 3.840 . 3.840 3.227 3.151 3.341 . 0 0 "[ . 1 . 2]" 2
1046 1 19 ILE HA 1 19 ILE HG13 3.960 . 3.960 3.793 3.694 3.841 . 0 0 "[ . 1 . 2]" 2
1047 1 19 ILE HA 1 19 ILE MG 3.430 . 3.430 2.385 2.323 2.443 . 0 0 "[ . 1 . 2]" 2
1048 1 40 GLY HA2 1 41 ALA HA 4.950 . 4.950 4.606 4.544 4.684 . 0 0 "[ . 1 . 2]" 2
1049 1 39 PRO HB2 1 40 GLY HA2 5.230 . 5.230 4.893 4.676 5.147 . 0 0 "[ . 1 . 2]" 2
1050 1 35 THR MG 1 40 GLY HA2 5.270 . 5.270 4.787 4.164 5.280 0.010 8 0 "[ . 1 . 2]" 2
1051 1 32 SER H 1 33 THR HB 5.420 . 5.420 4.978 4.884 5.093 . 0 0 "[ . 1 . 2]" 2
1052 1 33 THR HB 1 34 VAL MG2 4.000 . 4.000 3.157 3.049 3.264 . 0 0 "[ . 1 . 2]" 2
1053 1 17 GLU HA 1 18 PRO HD3 3.250 . 3.250 2.148 1.872 2.388 . 0 0 "[ . 1 . 2]" 2
1054 1 17 GLU HA 1 18 PRO HD2 3.210 . 3.210 2.377 2.196 2.631 . 0 0 "[ . 1 . 2]" 2
1055 1 39 PRO HA 1 40 GLY HA3 4.500 . 4.500 4.371 4.335 4.415 . 0 0 "[ . 1 . 2]" 2
1056 1 26 ASP HA 1 28 THR H 4.840 . 4.840 4.580 4.438 4.853 0.013 20 0 "[ . 1 . 2]" 2
1057 1 65 HIS HA 1 71 TRP HZ2 4.040 . 4.040 3.281 3.161 3.470 . 0 0 "[ . 1 . 2]" 2
1058 1 64 LEU HA 1 65 HIS HA 4.490 . 4.490 4.334 4.298 4.366 . 0 0 "[ . 1 . 2]" 2
1059 1 65 HIS HA 1 66 ALA MB 3.940 . 3.940 3.965 3.946 3.986 0.046 17 0 "[ . 1 . 2]" 2
1060 1 70 GLY H 1 71 TRP HA 5.430 . 5.430 5.080 4.744 5.245 . 0 0 "[ . 1 . 2]" 2
1061 1 71 TRP HA 1 71 TRP HE3 4.580 . 4.580 2.642 2.455 2.760 . 0 0 "[ . 1 . 2]" 2
1062 1 67 PRO HD2 1 71 TRP HA 4.130 . 4.130 3.068 2.861 3.257 . 0 0 "[ . 1 . 2]" 2
1063 1 66 ALA HA 1 71 TRP HA 4.810 . 4.810 4.491 4.261 4.665 . 0 0 "[ . 1 . 2]" 2
1064 1 30 LEU HA 1 33 THR H 4.880 . 4.880 4.700 4.558 4.902 0.022 8 0 "[ . 1 . 2]" 2
1065 1 30 LEU HA 1 63 ILE HA 3.790 . 3.790 2.828 2.676 3.040 . 0 0 "[ . 1 . 2]" 2
1066 1 30 LEU HA 1 30 LEU HG 3.800 . 3.800 3.476 3.447 3.520 . 0 0 "[ . 1 . 2]" 2
1067 1 8 ILE MD 1 23 SER HA 5.040 . 5.040 4.515 4.086 4.850 . 0 0 "[ . 1 . 2]" 2
1068 1 35 THR HB 1 40 GLY H 4.230 . 4.230 3.879 3.276 4.275 0.045 4 0 "[ . 1 . 2]" 2
1069 1 35 THR HB 1 38 PHE H 5.500 . 5.500 5.310 5.107 5.544 0.044 10 0 "[ . 1 . 2]" 2
1070 1 8 ILE HA 1 9 ARG H 3.550 . 3.550 2.333 2.221 2.424 . 0 0 "[ . 1 . 2]" 2
1071 1 7 TYR QD 1 8 ILE HA 4.650 . 4.650 4.571 4.233 4.803 0.153 9 0 "[ . 1 . 2]" 2
1072 1 8 ILE HA 1 76 TYR QD 4.610 . 4.610 4.097 3.086 4.683 0.073 10 0 "[ . 1 . 2]" 2
1073 1 8 ILE HA 1 71 TRP HE3 5.210 . 5.210 5.082 4.622 5.346 0.136 11 0 "[ . 1 . 2]" 2
1074 1 7 TYR HA 1 8 ILE HA 4.910 . 4.910 4.378 4.308 4.441 . 0 0 "[ . 1 . 2]" 2
1075 1 8 ILE HA 1 8 ILE HG12 3.880 . 3.880 3.689 3.593 3.771 . 0 0 "[ . 1 . 2]" 2
1076 1 8 ILE HA 1 8 ILE MG 3.350 . 3.350 2.666 2.518 2.956 . 0 0 "[ . 1 . 2]" 2
1077 1 13 ASP HA 1 14 GLU H 3.080 . 3.080 2.147 2.093 2.244 . 0 0 "[ . 1 . 2]" 2
1078 1 13 ASP HA 1 15 ASN H 4.110 . 4.110 3.789 3.438 4.146 0.036 17 0 "[ . 1 . 2]" 2
1079 1 13 ASP HA 1 14 GLU HA 4.640 . 4.640 4.295 4.197 4.352 . 0 0 "[ . 1 . 2]" 2
1080 1 11 THR H 1 76 TYR HA 5.500 . 5.500 5.046 4.820 5.326 . 0 0 "[ . 1 . 2]" 2
1081 1 76 TYR HA 1 76 TYR QE 4.680 . 4.680 4.591 4.365 4.727 0.047 13 0 "[ . 1 . 2]" 2
1082 1 10 VAL HA 1 76 TYR HA 4.890 . 4.890 4.215 3.990 4.365 . 0 0 "[ . 1 . 2]" 2
1083 1 75 VAL HB 1 76 TYR HA 4.420 . 4.420 4.474 4.449 4.511 0.091 14 0 "[ . 1 . 2]" 2
1084 1 76 TYR HA 1 77 VAL HB 4.460 . 4.460 4.475 4.313 4.525 0.065 20 0 "[ . 1 . 2]" 2
1085 1 15 ASN HA 1 15 ASN HD21 4.120 . 4.120 3.926 3.685 4.055 . 0 0 "[ . 1 . 2]" 2
1086 1 16 ASP HA 1 17 GLU H 3.200 . 3.200 2.689 2.496 2.890 . 0 0 "[ . 1 . 2]" 2
1087 1 77 VAL HA 1 78 VAL HB 4.870 . 4.870 4.640 4.527 4.897 0.027 10 0 "[ . 1 . 2]" 2
1088 1 54 MET HA 1 55 ARG H 3.150 . 3.150 2.212 2.133 2.294 . 0 0 "[ . 1 . 2]" 2
1089 1 38 PHE HA 1 39 PRO HD3 3.540 . 3.540 2.464 2.110 2.785 . 0 0 "[ . 1 . 2]" 2
1090 1 38 PHE HA 1 39 PRO HD2 3.540 . 3.540 2.170 1.981 2.576 . 0 0 "[ . 1 . 2]" 2
1091 1 38 PHE HA 1 78 VAL MG1 5.500 . 5.500 4.777 4.419 5.115 . 0 0 "[ . 1 . 2]" 2
1092 1 38 PHE HA 1 78 VAL MG2 5.500 . 5.500 5.004 4.569 5.702 0.202 10 0 "[ . 1 . 2]" 2
1093 1 41 ALA HA 1 80 TYR HA 3.600 . 3.600 2.749 2.452 2.936 . 0 0 "[ . 1 . 2]" 2
1094 1 42 CYS HA 1 43 GLY HA2 4.770 . 4.770 4.528 4.507 4.548 . 0 0 "[ . 1 . 2]" 2
1095 1 41 ALA MB 1 80 TYR HA 3.720 . 3.720 2.554 2.452 2.681 . 0 0 "[ . 1 . 2]" 2
1096 1 31 LEU MD1 1 42 CYS HA 3.540 . 3.540 2.000 1.898 2.105 . 0 0 "[ . 1 . 2]" 2
1097 1 7 TYR HA 1 7 TYR QD 3.530 . 3.530 2.561 1.826 3.025 . 0 0 "[ . 1 . 2]" 2
1098 1 80 TYR HA 1 81 PRO QD 3.210 . 3.210 1.952 1.879 1.995 . 0 0 "[ . 1 . 2]" 2
1099 1 7 TYR HA 1 8 ILE MG 4.660 . 4.660 3.195 3.037 3.452 . 0 0 "[ . 1 . 2]" 2
1100 1 7 TYR HA 1 8 ILE MD 5.390 . 5.390 5.256 5.021 5.525 0.135 13 0 "[ . 1 . 2]" 2
1101 1 72 GLY QA 1 73 ASN HA 4.430 . 4.430 3.936 3.904 3.961 . 0 0 "[ . 1 . 2]" 2
1102 1 10 VAL H 1 11 THR HA 5.180 . 5.180 4.999 4.914 5.098 . 0 0 "[ . 1 . 2]" 2
1103 1 11 THR HA 1 12 GLU H 3.400 . 3.400 2.180 2.137 2.218 . 0 0 "[ . 1 . 2]" 2
1104 1 10 VAL HA 1 11 THR HA 4.810 . 4.810 4.445 4.341 4.525 . 0 0 "[ . 1 . 2]" 2
1105 1 11 THR HA 1 18 PRO HA 3.880 . 3.880 2.844 2.499 3.327 . 0 0 "[ . 1 . 2]" 2
1106 1 11 THR HA 1 19 ILE HB 4.030 . 4.030 3.630 3.320 3.990 . 0 0 "[ . 1 . 2]" 2
1107 1 11 THR HA 1 11 THR MG 3.400 . 3.400 2.293 2.218 2.349 . 0 0 "[ . 1 . 2]" 2
1108 1 64 LEU HA 1 71 TRP HZ2 4.780 . 4.780 4.629 4.559 4.734 . 0 0 "[ . 1 . 2]" 2
1109 1 63 ILE HA 1 64 LEU HA 4.660 . 4.660 4.386 4.359 4.420 . 0 0 "[ . 1 . 2]" 2
1110 1 58 ARG HA 1 64 LEU HA 5.500 . 5.500 5.392 5.277 5.519 0.019 20 0 "[ . 1 . 2]" 2
1111 1 64 LEU HA 1 65 HIS HB2 4.530 . 4.530 4.266 4.145 4.379 . 0 0 "[ . 1 . 2]" 2
1112 1 59 LEU HB3 1 64 LEU HA 4.440 . 4.440 3.375 2.899 3.702 . 0 0 "[ . 1 . 2]" 2
1113 1 58 ARG QB 1 64 LEU HA 4.820 . 4.820 4.656 4.530 4.853 0.033 7 0 "[ . 1 . 2]" 2
1114 1 57 VAL MG1 1 64 LEU HA 3.840 . 3.840 3.319 3.107 3.638 . 0 0 "[ . 1 . 2]" 2
1115 1 59 LEU HA 1 65 HIS H 4.370 . 4.370 3.104 2.948 3.290 . 0 0 "[ . 1 . 2]" 2
1116 1 59 LEU HA 1 65 HIS HD2 5.020 . 5.020 3.489 2.931 4.300 . 0 0 "[ . 1 . 2]" 2
1117 1 59 LEU HA 1 60 VAL HA 4.590 . 4.590 4.396 4.367 4.454 . 0 0 "[ . 1 . 2]" 2
1118 1 44 LEU HA 1 78 VAL HA 3.900 . 3.900 2.501 2.326 2.628 . 0 0 "[ . 1 . 2]" 2
1119 1 43 GLY HA2 1 44 LEU HA 4.680 . 4.680 4.509 4.459 4.595 . 0 0 "[ . 1 . 2]" 2
1120 1 59 LEU HA 1 65 HIS HB2 4.970 . 4.970 4.400 4.028 4.599 . 0 0 "[ . 1 . 2]" 2
1121 1 44 LEU HA 1 79 ASN HB3 5.500 . 5.500 5.364 4.899 5.515 0.015 10 0 "[ . 1 . 2]" 2
1122 1 44 LEU HA 1 44 LEU MD1 3.840 . 3.840 2.620 1.995 3.750 . 0 0 "[ . 1 . 2]" 2
1123 1 44 LEU HA 1 78 VAL MG2 5.100 . 5.100 3.966 3.756 4.272 . 0 0 "[ . 1 . 2]" 2
1124 1 10 VAL HA 1 77 VAL HA 4.820 . 4.820 3.590 3.319 3.853 . 0 0 "[ . 1 . 2]" 2
1125 1 10 VAL HA 1 76 TYR HB2 4.910 . 4.910 2.268 2.059 2.483 . 0 0 "[ . 1 . 2]" 2
1126 1 10 VAL HA 1 76 TYR HB3 5.250 . 5.250 3.312 2.941 3.598 . 0 0 "[ . 1 . 2]" 2
1127 1 10 VAL HA 1 21 ILE QG 5.070 . 5.070 4.713 4.115 5.287 0.217 8 0 "[ . 1 . 2]" 2
1128 1 8 ILE HG13 1 10 VAL HA 5.100 . 5.100 4.341 4.173 4.497 . 0 0 "[ . 1 . 2]" 2
1129 1 45 ARG HA 1 77 VAL H 5.120 . 5.120 4.600 4.467 4.845 . 0 0 "[ . 1 . 2]" 2
1130 1 45 ARG HA 1 46 TYR QE 5.030 . 5.030 4.708 4.358 5.014 . 0 0 "[ . 1 . 2]" 2
1131 1 44 LEU HA 1 45 ARG HA 4.700 . 4.700 4.414 4.370 4.434 . 0 0 "[ . 1 . 2]" 2
1132 1 45 ARG HA 1 56 GLY HA3 3.920 . 3.920 3.746 3.555 3.935 0.015 15 0 "[ . 1 . 2]" 2
1133 1 45 ARG HA 1 57 VAL HA 5.500 . 5.500 5.482 5.131 5.793 0.293 4 0 "[ . 1 . 2]" 2
1134 1 45 ARG HA 1 56 GLY HA2 3.920 . 3.920 2.122 1.992 2.289 . 0 0 "[ . 1 . 2]" 2
1135 1 45 ARG HA 1 46 TYR HB3 4.940 . 4.940 4.317 4.209 4.402 . 0 0 "[ . 1 . 2]" 2
1136 1 48 ASN HA 1 48 ASN HD22 4.970 . 4.970 4.895 4.871 4.915 . 0 0 "[ . 1 . 2]" 2
1137 1 46 TYR QD 1 48 ASN HA 4.080 . 4.080 3.214 2.981 3.319 . 0 0 "[ . 1 . 2]" 2
1138 1 46 TYR QE 1 48 ASN HA 3.940 . 3.940 3.032 2.494 3.402 . 0 0 "[ . 1 . 2]" 2
1139 1 48 ASN HA 1 49 PRO HD3 3.140 . 3.140 2.237 2.097 2.397 . 0 0 "[ . 1 . 2]" 2
1140 1 47 ARG QG 1 48 ASN HA 4.380 . 4.380 4.262 3.827 4.534 0.154 14 0 "[ . 1 . 2]" 2
1141 1 45 ARG HA 1 54 MET ME 4.330 . 4.330 4.052 3.116 4.409 0.079 15 0 "[ . 1 . 2]" 2
1142 1 54 MET ME 1 54 MET QG 2.590 . 2.590 2.444 2.368 2.509 . 0 0 "[ . 1 . 2]" 2
1143 1 44 LEU MD2 1 45 ARG H 4.500 . 4.500 3.552 2.109 4.414 . 0 0 "[ . 1 . 2]" 2
1144 1 44 LEU MD2 1 57 VAL H 5.020 . 5.020 4.178 3.368 4.690 . 0 0 "[ . 1 . 2]" 2
1145 1 44 LEU MD2 1 71 TRP HE3 5.430 . 5.430 3.779 3.321 4.600 . 0 0 "[ . 1 . 2]" 2
1146 1 44 LEU HA 1 44 LEU MD2 3.840 . 3.840 3.520 2.912 3.849 0.009 1 0 "[ . 1 . 2]" 2
1147 1 44 LEU MD2 1 76 TYR HB3 3.990 . 3.990 2.366 1.772 2.791 0.028 11 0 "[ . 1 . 2]" 2
1148 1 28 THR H 1 28 THR MG 3.110 . 3.110 3.022 2.872 3.129 0.019 19 0 "[ . 1 . 2]" 2
1149 1 28 THR MG 1 71 TRP HH2 5.500 . 5.500 5.370 5.129 5.541 0.041 5 0 "[ . 1 . 2]" 2
1150 1 75 VAL MG2 1 76 TYR H 3.890 . 3.890 3.750 3.484 3.905 0.015 6 0 "[ . 1 . 2]" 2
1151 1 6 GLU QG 1 8 ILE MG 5.450 . 5.450 4.429 2.982 5.498 0.048 9 0 "[ . 1 . 2]" 2
1152 1 66 ALA MB 1 71 TRP HA 3.440 . 3.440 3.518 3.455 3.602 0.162 15 0 "[ . 1 . 2]" 2
1153 1 57 VAL MG1 1 66 ALA MB 4.290 . 4.290 4.361 4.304 4.441 0.151 20 0 "[ . 1 . 2]" 2
1154 1 78 VAL MG1 1 80 TYR QE 4.150 . 4.150 2.674 2.368 3.747 . 0 0 "[ . 1 . 2]" 2
1155 1 19 ILE MD 2 54 MET H 4.440 . 4.440 2.594 2.165 2.998 . 0 0 "[ . 1 . 2]" 2
1156 1 19 ILE MD 1 38 PHE HZ 4.260 . 4.260 4.029 3.599 4.322 0.062 13 0 "[ . 1 . 2]" 2
1157 1 19 ILE MD 1 38 PHE HE2 4.190 . 4.190 3.818 3.325 4.220 0.030 13 0 "[ . 1 . 2]" 2
1158 1 18 PRO HD2 1 19 ILE MD 5.220 . 5.220 5.123 4.685 5.331 0.111 13 0 "[ . 1 . 2]" 2
1159 1 19 ILE MG 1 38 PHE HE2 4.050 . 4.050 3.794 3.302 4.150 0.100 4 0 "[ . 1 . 2]" 2
1160 1 49 PRO HB2 1 74 LEU MD2 4.380 . 4.380 4.223 3.914 4.429 0.049 11 0 "[ . 1 . 2]" 2
1161 1 49 PRO HG3 1 74 LEU MD2 3.030 . 3.030 2.271 1.989 2.646 . 0 0 "[ . 1 . 2]" 2
1162 1 31 LEU H 1 31 LEU MD2 4.410 . 4.410 4.236 4.214 4.265 . 0 0 "[ . 1 . 2]" 2
1163 1 31 LEU MD2 1 62 GLY HA2 3.650 . 3.650 2.576 2.212 2.796 . 0 0 "[ . 1 . 2]" 2
1164 1 46 TYR H 1 57 VAL MG2 5.190 . 5.190 4.161 3.940 4.433 . 0 0 "[ . 1 . 2]" 2
1165 1 44 LEU HA 1 57 VAL MG2 4.350 . 4.350 4.285 4.148 4.442 0.092 17 0 "[ . 1 . 2]" 2
1166 1 19 ILE HG13 1 38 PHE HZ 4.250 . 4.250 2.477 1.868 2.846 . 0 0 "[ . 1 . 2]" 2
1167 1 19 ILE HG13 1 38 PHE HE2 4.200 . 4.200 2.462 1.948 2.875 . 0 0 "[ . 1 . 2]" 2
1168 1 41 ALA MB 1 80 TYR QB 3.650 . 3.650 3.694 3.609 3.798 0.148 18 0 "[ . 1 . 2]" 2
1169 1 34 VAL MG1 1 41 ALA MB 3.460 . 3.460 3.277 3.012 3.454 . 0 0 "[ . 1 . 2]" 2
1170 1 11 THR H 1 78 VAL HB 5.470 . 5.470 4.714 4.116 5.090 . 0 0 "[ . 1 . 2]" 2
1171 1 12 GLU H 1 78 VAL HB 5.500 . 5.500 5.437 4.687 5.661 0.161 7 0 "[ . 1 . 2]" 2
1172 1 78 VAL HB 1 79 ASN HA 5.500 . 5.500 5.722 5.129 5.884 0.384 4 0 "[ . 1 . 2]" 2
1173 1 34 VAL MG1 1 78 VAL HB 3.210 . 3.210 3.384 3.194 3.862 0.652 19 4 "[* . - * . +2]" 2
1174 1 35 THR MG 1 40 GLY H 4.180 . 4.180 3.710 3.253 4.122 . 0 0 "[ . 1 . 2]" 2
1175 1 59 LEU H 1 59 LEU HG 4.230 . 4.230 3.808 2.293 4.190 . 0 0 "[ . 1 . 2]" 2
1176 1 19 ILE HG12 1 38 PHE HZ 4.190 . 4.190 3.272 2.707 3.620 . 0 0 "[ . 1 . 2]" 2
1177 1 19 ILE HG12 1 38 PHE HE2 4.010 . 4.010 3.504 3.038 4.013 0.003 10 0 "[ . 1 . 2]" 2
1178 1 74 LEU HB2 1 74 LEU MD1 3.490 . 3.490 2.322 2.239 2.404 . 0 0 "[ . 1 . 2]" 2
1179 1 10 VAL H 1 19 ILE HB 4.540 . 4.540 3.754 3.491 3.944 . 0 0 "[ . 1 . 2]" 2
1180 1 19 ILE HB 1 38 PHE HZ 3.950 . 3.950 2.224 1.953 2.461 . 0 0 "[ . 1 . 2]" 2
1181 1 16 ASP HB2 1 17 GLU QB 4.980 . 4.980 5.111 3.505 5.382 0.402 20 0 "[ . 1 . 2]" 2
1182 1 48 ASN HA 1 49 PRO HG2 4.690 . 4.690 4.289 4.174 4.387 . 0 0 "[ . 1 . 2]" 2
1183 1 48 ASN HA 1 49 PRO HG3 5.060 . 5.060 4.326 4.295 4.348 . 0 0 "[ . 1 . 2]" 2
1184 1 12 GLU HB3 1 38 PHE HE2 4.180 . 4.180 2.217 1.953 2.803 . 0 0 "[ . 1 . 2]" 2
1185 1 51 GLU QG 1 52 GLN H 3.840 . 3.840 3.251 3.098 3.375 . 0 0 "[ . 1 . 2]" 2
1186 1 48 ASN HD22 1 51 GLU QG 4.080 . 4.080 1.886 1.785 2.089 0.015 13 0 "[ . 1 . 2]" 2
1187 1 51 GLU QG 1 52 GLN HA 4.830 . 4.830 4.608 4.492 4.770 . 0 0 "[ . 1 . 2]" 2
1188 1 12 GLU HB2 1 38 PHE HE2 4.190 . 4.190 3.722 3.462 4.071 . 0 0 "[ . 1 . 2]" 2
1189 1 12 GLU HB2 1 80 TYR QE 4.720 . 4.720 2.259 1.927 2.631 . 0 0 "[ . 1 . 2]" 2
1190 1 52 GLN HA 1 52 GLN HG3 4.090 . 4.090 3.573 2.447 3.814 . 0 0 "[ . 1 . 2]" 2
1191 1 12 GLU QG 1 38 PHE HE2 3.790 . 3.790 2.400 2.048 2.628 . 0 0 "[ . 1 . 2]" 2
1192 1 12 GLU QG 1 80 TYR QE 4.420 . 4.420 4.085 3.737 4.364 . 0 0 "[ . 1 . 2]" 2
1193 1 43 GLY H 1 79 ASN HB3 5.160 . 5.160 5.271 5.017 5.401 0.241 9 0 "[ . 1 . 2]" 2
1194 1 72 GLY QA 1 73 ASN HB2 5.390 . 5.390 5.350 5.297 5.439 0.049 1 0 "[ . 1 . 2]" 2
1195 1 31 LEU MD2 1 62 GLY HA3 4.160 . 4.160 3.570 3.060 3.973 . 0 0 "[ . 1 . 2]" 2
1196 1 34 VAL MG1 1 38 PHE HE1 3.380 . 3.380 2.957 2.683 3.173 . 0 0 "[ . 1 . 2]" 2
1197 1 49 PRO HG3 1 74 LEU MD1 3.330 . 3.330 3.235 2.889 3.392 0.062 10 0 "[ . 1 . 2]" 2
1198 1 34 VAL HA 1 34 VAL MG1 3.180 . 3.180 2.429 2.406 2.473 . 0 0 "[ . 1 . 2]" 2
1199 1 48 ASN HB2 1 49 PRO HG2 4.750 . 4.750 4.474 4.363 4.636 . 0 0 "[ . 1 . 2]" 2
1200 1 14 GLU QG 1 15 ASN HD21 4.070 . 4.070 3.105 2.827 3.647 . 0 0 "[ . 1 . 2]" 2
1201 1 52 GLN HA 1 52 GLN HG2 4.090 . 4.090 3.293 3.161 3.736 . 0 0 "[ . 1 . 2]" 2
1202 1 61 GLU QG 1 62 GLY H 4.590 . 4.590 4.484 4.445 4.617 0.027 7 0 "[ . 1 . 2]" 2
1203 1 61 GLU HA 1 61 GLU QG 3.080 . 3.080 2.465 2.361 2.953 . 0 0 "[ . 1 . 2]" 2
1204 1 37 GLN HA 2 79 ASN HD21 3.570 . 3.570 2.141 1.750 2.807 0.050 6 0 "[ . 1 . 2]" 2
1205 1 33 THR HA 1 36 ALA MB 4.050 . 4.050 2.709 2.599 2.868 . 0 0 "[ . 1 . 2]" 2
1206 1 34 VAL HA 1 35 THR HA 5.200 . 5.200 4.773 4.741 4.799 . 0 0 "[ . 1 . 2]" 2
1207 1 47 ARG QG 1 49 PRO HA 4.530 . 4.530 4.371 3.790 4.596 0.066 6 0 "[ . 1 . 2]" 2
1208 1 12 GLU HA 1 78 VAL HB 4.420 . 4.420 3.944 2.502 4.436 0.016 9 0 "[ . 1 . 2]" 2
1209 1 31 LEU HG 1 32 SER HA 4.130 . 4.130 4.027 3.928 4.144 0.014 20 0 "[ . 1 . 2]" 2
1210 1 82 LYS HA 1 82 LYS HB2 2.850 . 2.850 2.534 2.465 2.586 . 0 0 "[ . 1 . 2]" 2
1211 1 55 ARG HA 1 55 ARG QG 3.120 . 3.120 2.338 2.262 2.416 . 0 0 "[ . 1 . 2]" 2
1212 1 35 THR HA 1 39 PRO HA 3.910 . 3.910 3.647 3.343 3.911 0.001 11 0 "[ . 1 . 2]" 2
1213 1 35 THR MG 1 39 PRO HA 4.490 . 4.490 4.363 4.039 4.584 0.094 11 0 "[ . 1 . 2]" 2
1214 1 54 MET HA 1 54 MET QG 3.460 . 3.460 2.913 2.295 3.513 0.053 12 0 "[ . 1 . 2]" 2
1215 1 10 VAL HA 1 21 ILE MD 5.500 . 5.500 5.499 4.854 5.687 0.187 18 0 "[ . 1 . 2]" 2
1216 1 46 TYR QD 1 55 ARG HB3 5.440 . 5.440 3.889 3.687 4.145 . 0 0 "[ . 1 . 2]" 2
1217 1 64 LEU HB3 1 71 TRP HZ2 5.410 . 5.410 3.419 3.242 3.663 . 0 0 "[ . 1 . 2]" 2
1218 1 57 VAL HA 1 64 LEU HB3 5.490 . 5.490 5.538 5.353 5.637 0.147 5 0 "[ . 1 . 2]" 2
1219 1 44 LEU HG 1 45 ARG H 4.810 . 4.810 2.922 2.708 3.201 . 0 0 "[ . 1 . 2]" 2
1220 1 46 TYR QD 1 47 ARG HB3 5.310 . 5.310 4.742 4.515 4.855 . 0 0 "[ . 1 . 2]" 2
1221 1 44 LEU HB3 1 45 ARG H 5.460 . 5.460 3.939 3.832 4.041 . 0 0 "[ . 1 . 2]" 2
1222 1 73 ASN HB3 1 74 LEU HG 4.970 . 4.970 4.683 4.355 4.978 0.008 15 0 "[ . 1 . 2]" 2
1223 1 64 LEU HA 1 65 HIS HB3 5.450 . 5.450 5.564 5.488 5.602 0.152 11 0 "[ . 1 . 2]" 2
1224 1 11 THR MG 1 18 PRO HD2 5.050 . 5.050 4.926 4.581 5.165 0.115 20 0 "[ . 1 . 2]" 2
1225 1 8 ILE HB 1 72 GLY QA 5.490 . 5.490 4.871 4.576 5.011 . 0 0 "[ . 1 . 2]" 2
1226 1 47 ARG H 1 49 PRO HD3 5.500 . 5.500 5.427 5.100 5.571 0.071 6 0 "[ . 1 . 2]" 2
1227 1 78 VAL HB 1 80 TYR QE 5.030 . 5.030 4.673 3.285 5.080 0.050 5 0 "[ . 1 . 2]" 2
1228 1 8 ILE H 1 8 ILE HG12 3.780 . 3.780 2.693 2.328 3.412 . 0 0 "[ . 1 . 2]" 2
1229 1 54 MET HA 1 55 ARG HB3 5.450 . 5.450 4.799 4.474 5.386 . 0 0 "[ . 1 . 2]" 2
1230 1 80 TYR QE 1 81 PRO HG2 5.160 . 5.160 5.166 4.730 5.319 0.159 18 0 "[ . 1 . 2]" 2
1231 1 12 GLU HB3 1 80 TYR QE 4.760 . 4.760 2.410 2.062 2.711 . 0 0 "[ . 1 . 2]" 2
1232 1 35 THR HB 1 41 ALA H 5.380 . 5.380 5.143 4.546 5.359 . 0 0 "[ . 1 . 2]" 2
1233 1 31 LEU HG 1 35 THR HB 5.330 . 5.330 5.088 4.850 5.284 . 0 0 "[ . 1 . 2]" 2
1234 1 60 VAL H 1 65 HIS HD2 4.810 . 4.810 3.477 2.977 4.405 . 0 0 "[ . 1 . 2]" 2
1235 1 65 HIS H 1 65 HIS HD2 4.500 . 4.500 3.320 2.961 3.888 . 0 0 "[ . 1 . 2]" 2
1236 1 65 HIS HA 1 65 HIS HD2 4.440 . 4.440 4.046 3.860 4.237 . 0 0 "[ . 1 . 2]" 2
1237 1 60 VAL MG2 1 65 HIS HD2 4.600 . 4.600 3.583 2.227 4.704 0.104 15 0 "[ . 1 . 2]" 2
1238 1 71 TRP H 1 71 TRP HD1 3.340 . 3.340 3.009 2.901 3.160 . 0 0 "[ . 1 . 2]" 2
1239 1 28 THR H 1 71 TRP HD1 5.340 . 5.340 5.335 5.226 5.385 0.045 13 0 "[ . 1 . 2]" 2
1240 1 71 TRP HB3 1 71 TRP HD1 3.830 . 3.830 3.692 3.621 3.736 . 0 0 "[ . 1 . 2]" 2
1241 1 66 ALA MB 1 71 TRP HD1 3.510 . 3.510 3.132 2.973 3.276 . 0 0 "[ . 1 . 2]" 2
1242 1 8 ILE MD 1 71 TRP HD1 5.500 . 5.500 5.484 5.300 5.582 0.082 7 0 "[ . 1 . 2]" 2
1243 1 9 ARG H 1 76 TYR QD 3.980 . 3.980 2.592 2.064 3.001 . 0 0 "[ . 1 . 2]" 2
1244 1 80 TYR HA 1 80 TYR QD 3.870 . 3.870 2.804 2.625 2.922 . 0 0 "[ . 1 . 2]" 2
1245 1 12 GLU HA 1 80 TYR QD 3.820 . 3.820 3.319 2.694 3.638 . 0 0 "[ . 1 . 2]" 2
1246 1 38 PHE QB 1 80 TYR QD 4.420 . 4.420 4.216 4.040 4.405 . 0 0 "[ . 1 . 2]" 2
1247 1 8 ILE HB 1 76 TYR QD 3.890 . 3.890 3.241 2.072 3.803 . 0 0 "[ . 1 . 2]" 2
1248 1 44 LEU HG 1 76 TYR QD 4.400 . 4.400 3.056 2.187 4.376 . 0 0 "[ . 1 . 2]" 2
1249 1 7 TYR QD 1 8 ILE MD 5.500 . 5.500 5.596 5.396 5.839 0.339 12 0 "[ . 1 . 2]" 2
1250 1 38 PHE QD 1 80 TYR QE 3.410 . 3.410 2.711 2.199 3.296 . 0 0 "[ . 1 . 2]" 2
1251 1 12 GLU HB2 1 38 PHE QD 3.860 . 3.860 3.517 3.272 3.874 0.014 10 0 "[ . 1 . 2]" 2
1252 1 38 PHE QD 1 41 ALA MB 4.070 . 4.070 3.666 3.410 3.937 . 0 0 "[ . 1 . 2]" 2
1253 1 65 HIS H 1 71 TRP HZ2 4.290 . 4.290 4.224 4.133 4.350 0.060 7 0 "[ . 1 . 2]" 2
1254 1 28 THR HA 1 71 TRP HZ2 4.120 . 4.120 2.580 2.422 2.685 . 0 0 "[ . 1 . 2]" 2
1255 1 28 THR HB 1 71 TRP HZ2 4.430 . 4.430 4.031 3.468 4.448 0.018 14 0 "[ . 1 . 2]" 2
1256 1 64 LEU HB2 1 71 TRP HZ2 4.560 . 4.560 3.068 2.797 3.326 . 0 0 "[ . 1 . 2]" 2
1257 1 28 THR MG 1 71 TRP HZ2 3.920 . 3.920 3.599 3.368 3.805 . 0 0 "[ . 1 . 2]" 2
1258 1 7 TYR QB 1 7 TYR HE1 4.700 . 4.700 4.372 4.281 4.679 . 0 0 "[ . 1 . 2]" 2
1259 1 45 ARG HA 1 46 TYR QD 4.100 . 4.100 3.175 2.891 3.386 . 0 0 "[ . 1 . 2]" 2
1260 1 46 TYR HA 1 46 TYR QD 3.950 . 3.950 3.756 3.737 3.774 . 0 0 "[ . 1 . 2]" 2
1261 1 46 TYR QD 1 57 VAL HA 3.940 . 3.940 3.827 3.459 4.059 0.119 16 0 "[ . 1 . 2]" 2
1262 1 46 TYR QD 1 57 VAL HB 4.530 . 4.530 4.476 4.385 4.559 0.029 5 0 "[ . 1 . 2]" 2
1263 1 46 TYR QD 1 57 VAL MG2 3.210 . 3.210 2.000 1.901 2.098 . 0 0 "[ . 1 . 2]" 2
1264 1 46 TYR QE 1 58 ARG H 4.320 . 4.320 4.279 4.132 4.424 0.104 16 0 "[ . 1 . 2]" 2
1265 1 46 TYR QE 1 48 ASN HD21 5.500 . 5.500 5.415 5.216 5.563 0.063 17 0 "[ . 1 . 2]" 2
1266 1 46 TYR QE 1 57 VAL HA 3.470 . 3.470 2.327 2.148 2.527 . 0 0 "[ . 1 . 2]" 2
1267 1 46 TYR QE 1 57 VAL MG2 3.090 . 3.090 2.461 2.086 2.970 . 0 0 "[ . 1 . 2]" 2
1268 1 11 THR HA 1 38 PHE HZ 4.190 . 4.190 4.051 3.646 4.317 0.127 2 0 "[ . 1 . 2]" 2
1269 1 34 VAL HA 1 38 PHE HE1 4.000 . 4.000 3.531 3.230 3.940 . 0 0 "[ . 1 . 2]" 2
1270 1 38 PHE QB 1 38 PHE HE1 4.470 . 4.470 4.317 4.280 4.343 . 0 0 "[ . 1 . 2]" 2
1271 1 19 ILE HB 1 38 PHE HE1 4.210 . 4.210 3.996 3.532 4.246 0.036 6 0 "[ . 1 . 2]" 2
1272 1 38 PHE HE1 1 78 VAL HB 4.280 . 4.280 3.681 3.183 4.570 0.290 1 0 "[ . 1 . 2]" 2
1273 1 34 VAL MG2 1 38 PHE HE1 3.990 . 3.990 3.945 3.743 4.016 0.026 9 0 "[ . 1 . 2]" 2
1274 1 57 VAL MG1 1 71 TRP HE3 4.390 . 4.390 4.332 4.119 4.523 0.133 11 0 "[ . 1 . 2]" 2
1275 1 44 LEU MD1 1 71 TRP HE3 5.430 . 5.430 4.910 3.535 5.550 0.120 15 0 "[ . 1 . 2]" 2
1276 1 65 HIS H 1 71 TRP HH2 4.280 . 4.280 3.921 3.683 4.090 . 0 0 "[ . 1 . 2]" 2
1277 1 64 LEU HA 1 71 TRP HH2 4.690 . 4.690 4.085 4.000 4.214 . 0 0 "[ . 1 . 2]" 2
1278 1 64 LEU HB2 1 71 TRP HH2 4.180 . 4.180 2.657 2.431 2.818 . 0 0 "[ . 1 . 2]" 2
1279 1 57 VAL MG1 1 71 TRP HH2 3.360 . 3.360 1.782 1.732 1.850 0.068 7 0 "[ . 1 . 2]" 2
1280 1 8 ILE MD 1 71 TRP HH2 4.920 . 4.920 4.577 4.118 4.834 . 0 0 "[ . 1 . 2]" 2
1281 1 71 TRP HA 1 71 TRP HZ3 4.880 . 4.880 4.843 4.679 4.935 0.055 1 0 "[ . 1 . 2]" 2
1282 1 71 TRP HB3 1 71 TRP HZ3 5.490 . 5.490 5.165 5.075 5.299 . 0 0 "[ . 1 . 2]" 2
1283 1 41 ALA H 1 80 TYR QE 4.020 . 4.020 3.895 3.502 4.064 0.044 6 0 "[ . 1 . 2]" 2
1284 1 40 GLY HA3 1 80 TYR QE 4.280 . 4.280 4.262 3.583 4.408 0.128 3 0 "[ . 1 . 2]" 2
1285 1 38 PHE QB 1 80 TYR QE 3.470 . 3.470 2.865 2.545 3.118 . 0 0 "[ . 1 . 2]" 2
1286 1 78 VAL MG2 1 80 TYR QE 4.150 . 4.150 3.889 3.678 4.220 0.070 19 0 "[ . 1 . 2]" 2
1287 1 38 PHE QB 1 38 PHE HE2 4.630 . 4.630 4.509 4.463 4.568 . 0 0 "[ . 1 . 2]" 2
1288 1 19 ILE HB 1 38 PHE HE2 4.510 . 4.510 4.045 3.556 4.542 0.032 8 0 "[ . 1 . 2]" 2
1289 1 12 GLU H 1 38 PHE HE2 4.200 . 4.200 3.336 2.752 3.849 . 0 0 "[ . 1 . 2]" 2
1290 1 12 GLU HA 1 38 PHE HE2 5.400 . 5.400 4.224 3.708 5.011 . 0 0 "[ . 1 . 2]" 2
1291 1 8 ILE MD 1 71 TRP HZ2 5.190 . 5.190 5.035 4.681 5.211 0.021 12 0 "[ . 1 . 2]" 2
1292 1 65 HIS HB3 1 71 TRP HZ2 5.500 . 5.500 5.503 5.391 5.579 0.079 19 0 "[ . 1 . 2]" 2
1293 1 67 PRO HD3 1 71 TRP HH2 5.150 . 5.150 4.672 4.356 4.990 . 0 0 "[ . 1 . 2]" 2
1294 1 46 TYR QD 1 56 GLY HA2 4.880 . 4.880 3.563 3.209 3.772 . 0 0 "[ . 1 . 2]" 2
1295 1 67 PRO HD3 1 71 TRP HE3 4.890 . 4.890 4.020 3.664 4.421 . 0 0 "[ . 1 . 2]" 2
1296 1 65 HIS HB3 1 65 HIS HE1 5.100 . 5.100 4.777 4.744 4.820 . 0 0 "[ . 1 . 2]" 2
1297 2 35 THR H 2 37 GLN H 4.580 . 4.580 4.230 4.005 4.511 . 0 0 "[ . 1 . 2]" 2
1298 2 37 GLN H 2 40 GLY H 5.500 . 5.500 5.615 5.559 5.744 0.244 8 0 "[ . 1 . 2]" 2
1299 2 37 GLN H 2 38 PHE H 3.050 . 3.050 2.084 1.980 2.120 . 0 0 "[ . 1 . 2]" 2
1300 2 36 ALA H 2 37 GLN H 3.160 . 3.160 2.570 2.390 2.779 . 0 0 "[ . 1 . 2]" 2
1301 2 37 GLN H 2 38 PHE HA 4.940 . 4.940 4.759 4.713 4.818 . 0 0 "[ . 1 . 2]" 2
1302 2 34 VAL HA 2 37 GLN H 4.300 . 4.300 3.907 3.674 4.100 . 0 0 "[ . 1 . 2]" 2
1303 2 37 GLN H 2 38 PHE QB 4.130 . 4.130 4.134 4.097 4.184 0.054 1 0 "[ . 1 . 2]" 2
1304 2 37 GLN H 2 37 GLN QB 2.950 . 2.950 2.402 2.215 2.974 0.024 7 0 "[ . 1 . 2]" 2
1305 2 36 ALA MB 2 37 GLN H 3.090 . 3.090 2.842 2.670 2.938 . 0 0 "[ . 1 . 2]" 2
1306 2 73 ASN H 2 74 LEU H 3.580 . 3.580 2.178 1.927 2.444 . 0 0 "[ . 1 . 2]" 2
1307 2 72 GLY QA 2 74 LEU H 3.840 . 3.840 3.732 3.658 3.821 . 0 0 "[ . 1 . 2]" 2
1308 2 71 TRP HB3 2 74 LEU H 5.140 . 5.140 4.727 4.611 4.905 . 0 0 "[ . 1 . 2]" 2
1309 2 73 ASN HB3 2 74 LEU H 4.570 . 4.570 4.186 4.001 4.323 . 0 0 "[ . 1 . 2]" 2
1310 2 73 ASN HB2 2 74 LEU H 4.570 . 4.570 4.459 4.364 4.570 0.000 18 0 "[ . 1 . 2]" 2
1311 2 74 LEU H 2 74 LEU HB3 3.540 . 3.540 3.086 3.002 3.170 . 0 0 "[ . 1 . 2]" 2
1312 2 74 LEU H 2 74 LEU MD2 3.930 . 3.930 3.501 3.361 3.595 . 0 0 "[ . 1 . 2]" 2
1313 2 74 LEU H 2 74 LEU MD1 3.570 . 3.570 3.277 3.110 3.387 . 0 0 "[ . 1 . 2]" 2
1314 2 32 SER H 2 34 VAL H 4.380 . 4.380 4.204 4.157 4.276 . 0 0 "[ . 1 . 2]" 2
1315 2 33 THR HB 2 34 VAL H 3.330 . 3.330 2.744 2.679 2.815 . 0 0 "[ . 1 . 2]" 2
1316 2 34 VAL H 2 34 VAL HB 3.370 . 3.370 2.484 2.451 2.528 . 0 0 "[ . 1 . 2]" 2
1317 2 43 GLY H 2 44 LEU H 4.590 . 4.590 4.454 4.336 4.549 . 0 0 "[ . 1 . 2]" 2
1318 2 42 CYS HB2 2 43 GLY H 4.190 . 4.190 3.673 2.857 3.772 . 0 0 "[ . 1 . 2]" 2
1319 2 42 CYS HB3 2 43 GLY H 4.190 . 4.190 2.837 2.740 3.999 . 0 0 "[ . 1 . 2]" 2
1320 2 35 THR H 2 36 ALA H 3.140 . 3.140 2.545 2.507 2.607 . 0 0 "[ . 1 . 2]" 2
1321 2 36 ALA H 2 38 PHE H 4.450 . 4.450 4.098 4.022 4.175 . 0 0 "[ . 1 . 2]" 2
1322 2 36 ALA H 2 36 ALA HA 2.860 . 2.860 2.818 2.767 2.860 . 0 0 "[ . 1 . 2]" 2
1323 2 36 ALA H 2 36 ALA MB 2.540 . 2.540 2.216 2.193 2.229 . 0 0 "[ . 1 . 2]" 2
1324 2 58 ARG QB 2 59 LEU H 4.700 . 4.700 3.353 2.822 3.849 . 0 0 "[ . 1 . 2]" 2
1325 2 58 ARG QG 2 59 LEU H 4.480 . 4.480 3.285 2.291 4.235 . 0 0 "[ . 1 . 2]" 2
1326 2 59 LEU H 2 60 VAL MG1 5.100 . 5.100 4.892 4.622 5.121 0.021 10 0 "[ . 1 . 2]" 2
1327 2 59 LEU H 2 59 LEU MD1 5.340 . 5.340 4.335 4.300 4.385 . 0 0 "[ . 1 . 2]" 2
1328 2 33 THR H 2 35 THR H 4.480 . 4.480 4.146 4.064 4.218 . 0 0 "[ . 1 . 2]" 2
1329 2 32 SER H 2 33 THR H 3.450 . 3.450 2.782 2.723 2.845 . 0 0 "[ . 1 . 2]" 2
1330 2 33 THR H 2 34 VAL H 3.330 . 3.330 2.489 2.419 2.557 . 0 0 "[ . 1 . 2]" 2
1331 2 33 THR H 2 33 THR HB 3.160 . 3.160 2.807 2.751 2.884 . 0 0 "[ . 1 . 2]" 2
1332 2 30 LEU HB3 2 33 THR H 3.480 . 3.480 2.781 2.657 2.940 . 0 0 "[ . 1 . 2]" 2
1333 2 31 LEU HB3 2 33 THR H 5.130 . 5.130 4.957 4.866 5.036 . 0 0 "[ . 1 . 2]" 2
1334 2 24 GLU H 2 26 ASP H 5.150 . 5.150 4.873 4.590 5.133 . 0 0 "[ . 1 . 2]" 2
1335 2 25 ASP H 2 26 ASP H 3.270 . 3.270 2.639 2.510 2.799 . 0 0 "[ . 1 . 2]" 2
1336 2 26 ASP H 2 27 GLY H 3.080 . 3.080 2.562 2.423 2.702 . 0 0 "[ . 1 . 2]" 2
1337 2 42 CYS H 2 79 ASN H 4.700 . 4.700 4.413 4.290 4.605 . 0 0 "[ . 1 . 2]" 2
1338 2 44 LEU HA 2 79 ASN H 4.040 . 4.040 2.511 2.342 2.672 . 0 0 "[ . 1 . 2]" 2
1339 2 79 ASN H 2 80 TYR HA 5.390 . 5.390 5.193 5.120 5.249 . 0 0 "[ . 1 . 2]" 2
1340 2 78 VAL HA 2 79 ASN H 3.210 . 3.210 2.300 2.256 2.328 . 0 0 "[ . 1 . 2]" 2
1341 2 79 ASN H 2 79 ASN HB2 3.700 . 3.700 2.242 2.209 2.308 . 0 0 "[ . 1 . 2]" 2
1342 2 79 ASN H 2 79 ASN HB3 3.630 . 3.630 3.511 3.479 3.568 . 0 0 "[ . 1 . 2]" 2
1343 2 78 VAL MG2 2 79 ASN H 3.320 . 3.320 2.051 1.958 2.164 . 0 0 "[ . 1 . 2]" 2
1344 2 75 VAL H 2 76 TYR H 4.650 . 4.650 4.278 4.174 4.413 . 0 0 "[ . 1 . 2]" 2
1345 2 74 LEU H 2 75 VAL H 3.810 . 3.810 2.021 1.953 2.167 . 0 0 "[ . 1 . 2]" 2
1346 2 75 VAL H 2 75 VAL MG1 3.400 . 3.400 2.392 2.283 2.486 . 0 0 "[ . 1 . 2]" 2
1347 2 48 ASN H 2 53 CYS H 3.950 . 3.950 3.609 3.333 3.957 0.007 19 0 "[ . 1 . 2]" 2
1348 2 52 GLN H 2 53 CYS H 3.250 . 3.250 2.571 2.472 2.693 . 0 0 "[ . 1 . 2]" 2
1349 2 51 SER H 2 53 CYS H 3.910 . 3.910 3.378 2.948 3.653 . 0 0 "[ . 1 . 2]" 2
1350 2 52 GLN HA 2 53 CYS H 3.380 . 3.380 2.964 2.737 3.154 . 0 0 "[ . 1 . 2]" 2
1351 2 53 CYS H 2 53 CYS HB2 4.030 . 4.030 2.710 2.417 3.463 . 0 0 "[ . 1 . 2]" 2
1352 2 53 CYS H 2 53 CYS HB3 4.030 . 4.030 3.527 2.940 3.753 . 0 0 "[ . 1 . 2]" 2
1353 2 77 VAL H 2 78 VAL H 4.690 . 4.690 4.443 4.406 4.481 . 0 0 "[ . 1 . 2]" 2
1354 2 45 ARG H 2 78 VAL H 5.200 . 5.200 4.802 4.617 5.002 . 0 0 "[ . 1 . 2]" 2
1355 2 11 THR H 2 78 VAL H 3.940 . 3.940 3.291 3.135 3.402 . 0 0 "[ . 1 . 2]" 2
1356 2 38 PHE HZ 2 78 VAL H 4.970 . 4.970 4.780 4.569 4.959 . 0 0 "[ . 1 . 2]" 2
1357 2 77 VAL HA 2 78 VAL H 3.530 . 3.530 2.184 2.153 2.219 . 0 0 "[ . 1 . 2]" 2
1358 2 12 GLU HA 2 78 VAL H 3.700 . 3.700 3.036 2.788 3.409 . 0 0 "[ . 1 . 2]" 2
1359 2 77 VAL HB 2 78 VAL H 4.150 . 4.150 3.928 3.828 4.046 . 0 0 "[ . 1 . 2]" 2
1360 2 78 VAL H 2 78 VAL HB 3.500 . 3.500 2.900 2.822 2.959 . 0 0 "[ . 1 . 2]" 2
1361 2 78 VAL H 2 78 VAL MG1 3.060 . 3.060 1.935 1.876 2.017 . 0 0 "[ . 1 . 2]" 2
1362 2 50 VAL H 2 51 SER H 3.200 . 3.200 2.678 2.541 2.839 . 0 0 "[ . 1 . 2]" 2
1363 2 49 PRO HB2 2 50 VAL H 3.940 . 3.940 3.659 3.225 3.898 . 0 0 "[ . 1 . 2]" 2
1364 2 24 GLU H 2 28 THR H 4.350 . 4.350 3.345 2.992 3.680 . 0 0 "[ . 1 . 2]" 2
1365 2 26 ASP H 2 28 THR H 3.910 . 3.910 3.722 3.505 3.932 0.022 12 0 "[ . 1 . 2]" 2
1366 2 28 THR H 2 71 TRP HZ2 4.940 . 4.940 3.615 3.494 3.891 . 0 0 "[ . 1 . 2]" 2
1367 2 26 ASP HB3 2 28 THR H 5.090 . 5.090 3.404 2.954 4.460 . 0 0 "[ . 1 . 2]" 2
1368 2 26 ASP HB2 2 28 THR H 5.090 . 5.090 4.613 3.121 5.125 0.035 16 0 "[ . 1 . 2]" 2
1369 2 28 THR H 2 28 THR MG 3.160 . 3.160 3.087 2.883 3.192 0.032 3 0 "[ . 1 . 2]" 2
1370 2 28 THR H 2 29 VAL MG2 5.200 . 5.200 5.069 4.719 5.203 0.003 20 0 "[ . 1 . 2]" 2
1371 2 28 THR H 2 66 ALA MB 5.370 . 5.370 4.738 4.559 5.078 . 0 0 "[ . 1 . 2]" 2
1372 2 82 LYS H 2 83 ASP H 3.090 . 3.090 2.343 1.927 2.522 . 0 0 "[ . 1 . 2]" 2
1373 2 82 LYS QE 2 83 ASP H 4.440 . 4.440 3.610 3.085 4.622 0.182 9 0 "[ . 1 . 2]" 2
1374 2 69 ALA H 2 70 GLY H 3.050 . 3.050 2.469 2.318 2.578 . 0 0 "[ . 1 . 2]" 2
1375 2 67 PRO HB2 2 70 GLY H 3.790 . 3.790 3.397 2.975 3.764 . 0 0 "[ . 1 . 2]" 2
1376 2 69 ALA MB 2 70 GLY H 3.240 . 3.240 2.958 2.543 3.268 0.028 17 0 "[ . 1 . 2]" 2
1377 2 12 GLU H 2 13 ASP H 3.080 . 3.080 1.888 1.774 2.115 0.026 1 0 "[ . 1 . 2]" 2
1378 2 12 GLU HB3 2 13 ASP H 4.310 . 4.310 3.488 2.360 4.193 . 0 0 "[ . 1 . 2]" 2
1379 2 13 ASP H 2 78 VAL MG1 5.210 . 5.210 4.800 4.616 5.153 . 0 0 "[ . 1 . 2]" 2
1380 2 65 HIS H 2 71 TRP HH2 5.070 . 5.070 3.708 3.399 3.978 . 0 0 "[ . 1 . 2]" 2
1381 2 65 HIS H 2 66 ALA MB 5.500 . 5.500 5.391 5.284 5.442 . 0 0 "[ . 1 . 2]" 2
1382 2 15 ASN H 2 16 ASP H 2.840 . 2.840 2.328 2.142 2.510 . 0 0 "[ . 1 . 2]" 2
1383 2 14 GLU HA 2 16 ASP H 3.980 . 3.980 3.830 3.575 4.077 0.097 14 0 "[ . 1 . 2]" 2
1384 2 40 GLY H 2 41 ALA H 3.490 . 3.490 2.081 2.058 2.107 . 0 0 "[ . 1 . 2]" 2
1385 2 38 PHE HA 2 41 ALA H 4.530 . 4.530 4.516 4.473 4.567 0.037 1 0 "[ . 1 . 2]" 2
1386 2 41 ALA H 2 41 ALA MB 2.870 . 2.870 2.244 2.230 2.269 . 0 0 "[ . 1 . 2]" 2
1387 2 34 VAL QG 2 41 ALA H 4.410 . 4.410 4.179 4.071 4.278 . 0 0 "[ . 1 . 2]" 2
1388 2 23 SER H 2 24 GLU H 4.480 . 4.480 4.478 4.408 4.503 0.023 16 0 "[ . 1 . 2]" 2
1389 2 6 GLU H 2 23 SER H 4.030 . 4.030 3.130 2.926 3.389 . 0 0 "[ . 1 . 2]" 2
1390 2 23 SER H 2 71 TRP HD1 5.500 . 5.500 5.579 5.472 5.688 0.188 3 0 "[ . 1 . 2]" 2
1391 2 5 SER QB 2 23 SER H 4.410 . 4.410 4.348 4.143 4.532 0.122 19 0 "[ . 1 . 2]" 2
1392 2 23 SER H 2 29 VAL MG2 4.110 . 4.110 3.805 3.665 3.890 . 0 0 "[ . 1 . 2]" 2
1393 2 8 ILE MG 2 23 SER H 4.500 . 4.500 3.352 3.238 3.451 . 0 0 "[ . 1 . 2]" 2
1394 2 8 ILE MD 2 23 SER H 4.680 . 4.680 4.289 4.148 4.455 . 0 0 "[ . 1 . 2]" 2
1395 2 68 ASP H 2 69 ALA H 3.480 . 3.480 2.613 2.501 2.693 . 0 0 "[ . 1 . 2]" 2
1396 2 69 ALA H 2 69 ALA HA 2.910 . 2.910 2.879 2.847 2.914 0.004 11 0 "[ . 1 . 2]" 2
1397 2 69 ALA H 2 70 GLY HA2 4.980 . 4.980 4.789 4.703 4.861 . 0 0 "[ . 1 . 2]" 2
1398 2 67 PRO HD3 2 69 ALA H 5.500 . 5.500 5.583 5.483 5.691 0.191 1 0 "[ . 1 . 2]" 2
1399 2 68 ASP HB3 2 69 ALA H 3.250 . 3.250 2.854 2.702 3.389 0.139 6 0 "[ . 1 . 2]" 2
1400 2 67 PRO HB2 2 69 ALA H 3.760 . 3.760 2.332 2.123 2.618 . 0 0 "[ . 1 . 2]" 2
1401 2 66 ALA MB 2 69 ALA H 5.310 . 5.310 5.187 4.934 5.306 . 0 0 "[ . 1 . 2]" 2
1402 2 42 CYS H 2 80 TYR H 5.130 . 5.130 4.798 4.361 5.102 . 0 0 "[ . 1 . 2]" 2
1403 2 79 ASN H 2 80 TYR H 4.620 . 4.620 4.505 4.406 4.560 . 0 0 "[ . 1 . 2]" 2
1404 2 79 ASN HD21 2 80 TYR H 4.730 . 4.730 3.588 3.033 4.904 0.174 20 0 "[ . 1 . 2]" 2
1405 2 80 TYR H 2 80 TYR QD 4.330 . 4.330 3.671 3.452 3.895 . 0 0 "[ . 1 . 2]" 2
1406 2 79 ASN HB3 2 80 TYR H 3.890 . 3.890 3.019 2.282 3.499 . 0 0 "[ . 1 . 2]" 2
1407 2 41 ALA MB 2 80 TYR H 4.870 . 4.870 4.657 4.429 4.803 . 0 0 "[ . 1 . 2]" 2
1408 2 78 VAL MG2 2 80 TYR H 5.040 . 5.040 4.575 4.269 4.883 . 0 0 "[ . 1 . 2]" 2
1409 2 78 VAL MG1 2 80 TYR H 5.500 . 5.500 4.800 4.349 5.282 . 0 0 "[ . 1 . 2]" 2
1410 2 5 SER H 2 6 GLU H 3.180 . 3.180 2.507 2.143 2.913 . 0 0 "[ . 1 . 2]" 2
1411 2 5 SER H 2 5 SER QB 2.520 . 2.520 2.585 2.360 2.754 0.234 18 0 "[ . 1 . 2]" 2
1412 2 5 SER H 2 22 PRO HB3 5.010 . 5.010 3.549 3.044 4.160 . 0 0 "[ . 1 . 2]" 2
1413 2 27 GLY H 2 71 TRP HE1 5.000 . 5.000 3.521 3.250 3.850 . 0 0 "[ . 1 . 2]" 2
1414 2 24 GLU H 2 27 GLY H 4.530 . 4.530 4.243 3.913 4.486 . 0 0 "[ . 1 . 2]" 2
1415 2 25 ASP H 2 27 GLY H 4.320 . 4.320 4.210 4.112 4.279 . 0 0 "[ . 1 . 2]" 2
1416 2 27 GLY H 2 28 THR H 3.320 . 3.320 2.174 2.097 2.453 . 0 0 "[ . 1 . 2]" 2
1417 2 27 GLY H 2 71 TRP HD1 5.380 . 5.380 4.926 4.549 5.250 . 0 0 "[ . 1 . 2]" 2
1418 2 26 ASP HA 2 27 GLY H 3.530 . 3.530 3.380 3.188 3.418 . 0 0 "[ . 1 . 2]" 2
1419 2 27 GLY H 2 28 THR MG 4.510 . 4.510 4.369 4.209 4.546 0.036 3 0 "[ . 1 . 2]" 2
1420 2 27 GLY H 2 66 ALA MB 5.500 . 5.500 4.986 4.709 5.439 . 0 0 "[ . 1 . 2]" 2
1421 2 61 GLU H 2 63 ILE H 4.550 . 4.550 4.111 3.985 4.259 . 0 0 "[ . 1 . 2]" 2
1422 2 60 VAL H 2 63 ILE H 3.730 . 3.730 2.961 2.817 3.151 . 0 0 "[ . 1 . 2]" 2
1423 2 31 LEU H 2 63 ILE H 5.150 . 5.150 4.937 4.799 5.071 . 0 0 "[ . 1 . 2]" 2
1424 2 61 GLU HA 2 63 ILE H 4.590 . 4.590 4.343 4.258 4.394 . 0 0 "[ . 1 . 2]" 2
1425 2 63 ILE H 2 63 ILE HB 3.150 . 3.150 2.496 2.472 2.532 . 0 0 "[ . 1 . 2]" 2
1426 2 63 ILE H 2 63 ILE HG12 3.330 . 3.330 2.548 2.422 2.704 . 0 0 "[ . 1 . 2]" 2
1427 2 60 VAL H 2 62 GLY H 4.980 . 4.980 3.498 3.409 3.618 . 0 0 "[ . 1 . 2]" 2
1428 2 59 LEU HA 2 62 GLY H 5.360 . 5.360 4.971 4.882 5.106 . 0 0 "[ . 1 . 2]" 2
1429 2 59 LEU MD1 2 62 GLY H 3.850 . 3.850 2.699 2.432 2.898 . 0 0 "[ . 1 . 2]" 2
1430 2 19 ILE HA 2 20 GLU H 2.970 . 2.970 2.520 2.419 2.630 . 0 0 "[ . 1 . 2]" 2
1431 2 20 GLU H 2 20 GLU HB3 4.140 . 4.140 3.606 2.770 3.801 . 0 0 "[ . 1 . 2]" 2
1432 2 35 THR H 2 38 PHE H 4.920 . 4.920 4.769 4.662 4.870 . 0 0 "[ . 1 . 2]" 2
1433 2 38 PHE H 2 40 GLY H 5.040 . 5.040 4.467 4.347 4.584 . 0 0 "[ . 1 . 2]" 2
1434 2 38 PHE H 2 41 ALA H 4.970 . 4.970 4.786 4.648 4.902 . 0 0 "[ . 1 . 2]" 2
1435 2 35 THR HA 2 38 PHE H 3.490 . 3.490 3.117 3.036 3.193 . 0 0 "[ . 1 . 2]" 2
1436 2 38 PHE H 2 38 PHE QB 3.620 . 3.620 2.381 2.333 2.455 . 0 0 "[ . 1 . 2]" 2
1437 2 37 GLN QB 2 38 PHE H 3.690 . 3.690 2.502 2.245 3.416 . 0 0 "[ . 1 . 2]" 2
1438 2 34 VAL QG 2 38 PHE H 4.130 . 4.130 3.763 3.644 3.874 . 0 0 "[ . 1 . 2]" 2
1439 2 44 LEU H 2 57 VAL H 4.690 . 4.690 3.247 2.928 3.521 . 0 0 "[ . 1 . 2]" 2
1440 2 44 LEU H 2 57 VAL HB 5.500 . 5.500 5.048 4.782 5.447 . 0 0 "[ . 1 . 2]" 2
1441 2 44 LEU H 2 79 ASN HB3 5.500 . 5.500 5.357 5.217 5.572 0.072 19 0 "[ . 1 . 2]" 2
1442 2 44 LEU H 2 44 LEU HB2 3.920 . 3.920 2.746 2.640 2.856 . 0 0 "[ . 1 . 2]" 2
1443 2 68 ASP H 2 70 GLY H 4.400 . 4.400 4.098 3.878 4.323 . 0 0 "[ . 1 . 2]" 2
1444 2 67 PRO HA 2 68 ASP H 3.120 . 3.120 2.603 2.506 2.705 . 0 0 "[ . 1 . 2]" 2
1445 2 68 ASP H 2 68 ASP HB3 3.270 . 3.270 2.631 2.473 3.481 0.211 6 0 "[ . 1 . 2]" 2
1446 2 67 PRO HB2 2 68 ASP H 3.690 . 3.690 2.272 1.880 2.651 . 0 0 "[ . 1 . 2]" 2
1447 2 66 ALA MB 2 68 ASP H 5.500 . 5.500 5.541 5.469 5.581 0.081 7 0 "[ . 1 . 2]" 2
1448 2 48 ASN H 2 52 GLN H 5.370 . 5.370 4.745 4.391 5.064 . 0 0 "[ . 1 . 2]" 2
1449 2 51 SER H 2 52 GLN H 3.380 . 3.380 2.143 1.972 2.256 . 0 0 "[ . 1 . 2]" 2
1450 2 52 GLN H 2 52 GLN QB 3.480 . 3.480 3.377 3.324 3.403 . 0 0 "[ . 1 . 2]" 2
1451 2 52 GLN H 2 52 GLN HG2 3.470 . 3.470 3.115 2.948 3.184 . 0 0 "[ . 1 . 2]" 2
1452 2 66 ALA H 2 71 TRP HE1 4.690 . 4.690 4.622 4.471 4.727 0.037 20 0 "[ . 1 . 2]" 2
1453 2 65 HIS H 2 66 ALA H 4.190 . 4.190 4.177 4.135 4.209 0.019 5 0 "[ . 1 . 2]" 2
1454 2 66 ALA H 2 71 TRP HZ2 3.800 . 3.800 3.163 3.022 3.273 . 0 0 "[ . 1 . 2]" 2
1455 2 66 ALA H 2 71 TRP HH2 4.610 . 4.610 3.414 3.157 3.571 . 0 0 "[ . 1 . 2]" 2
1456 2 64 LEU HA 2 66 ALA H 5.500 . 5.500 5.628 5.572 5.667 0.167 8 0 "[ . 1 . 2]" 2
1457 2 65 HIS HA 2 66 ALA H 3.220 . 3.220 2.078 2.060 2.098 . 0 0 "[ . 1 . 2]" 2
1458 2 66 ALA H 2 70 GLY HA2 5.500 . 5.500 5.380 5.174 5.578 0.078 8 0 "[ . 1 . 2]" 2
1459 2 28 THR MG 2 66 ALA H 3.740 . 3.740 3.679 3.512 3.776 0.036 8 0 "[ . 1 . 2]" 2
1460 2 66 ALA H 2 66 ALA MB 2.960 . 2.960 2.215 2.198 2.237 . 0 0 "[ . 1 . 2]" 2
1461 2 29 VAL H 2 71 TRP HE1 4.840 . 4.840 4.842 4.654 4.918 0.078 8 0 "[ . 1 . 2]" 2
1462 2 29 VAL H 2 64 LEU H 4.130 . 4.130 3.064 2.933 3.180 . 0 0 "[ . 1 . 2]" 2
1463 2 28 THR H 2 29 VAL H 4.580 . 4.580 4.430 4.381 4.456 . 0 0 "[ . 1 . 2]" 2
1464 2 29 VAL H 2 64 LEU HA 5.030 . 5.030 4.574 4.452 4.672 . 0 0 "[ . 1 . 2]" 2
1465 2 29 VAL H 2 63 ILE HA 4.970 . 4.970 4.378 4.194 4.542 . 0 0 "[ . 1 . 2]" 2
1466 2 28 THR HB 2 29 VAL H 3.420 . 3.420 2.855 2.637 3.114 . 0 0 "[ . 1 . 2]" 2
1467 2 29 VAL H 2 29 VAL HB 3.740 . 3.740 2.616 2.531 2.680 . 0 0 "[ . 1 . 2]" 2
1468 2 29 VAL H 2 64 LEU HB2 4.170 . 4.170 2.928 2.753 3.093 . 0 0 "[ . 1 . 2]" 2
1469 2 29 VAL H 2 29 VAL MG2 3.810 . 3.810 3.722 3.585 3.808 . 0 0 "[ . 1 . 2]" 2
1470 2 29 VAL H 2 66 ALA MB 5.200 . 5.200 5.264 5.217 5.318 0.118 7 0 "[ . 1 . 2]" 2
1471 2 8 ILE MD 2 29 VAL H 5.500 . 5.500 5.570 5.514 5.632 0.132 11 0 "[ . 1 . 2]" 2
1472 2 7 ARG H 2 8 ILE MG 4.880 . 4.880 4.486 4.011 4.720 . 0 0 "[ . 1 . 2]" 2
1473 2 6 GLU H 2 24 GLU H 5.260 . 5.260 4.981 4.513 5.350 0.090 9 0 "[ . 1 . 2]" 2
1474 2 6 GLU H 2 22 PRO HA 4.070 . 4.070 3.878 3.468 4.104 0.034 1 0 "[ . 1 . 2]" 2
1475 2 5 SER QB 2 6 GLU H 3.090 . 3.090 1.914 1.744 2.323 0.056 18 0 "[ . 1 . 2]" 2
1476 2 6 GLU H 2 6 GLU HB3 3.100 . 3.100 2.638 2.422 2.902 . 0 0 "[ . 1 . 2]" 2
1477 2 30 LEU H 2 64 LEU H 4.970 . 4.970 4.934 4.820 5.010 0.040 4 0 "[ . 1 . 2]" 2
1478 2 30 LEU H 2 33 THR H 4.620 . 4.620 4.181 3.950 4.298 . 0 0 "[ . 1 . 2]" 2
1479 2 30 LEU H 2 34 VAL H 5.290 . 5.290 4.932 4.716 5.054 . 0 0 "[ . 1 . 2]" 2
1480 2 29 VAL HA 2 30 LEU H 3.320 . 3.320 2.227 2.188 2.266 . 0 0 "[ . 1 . 2]" 2
1481 2 30 LEU H 2 31 LEU HA 5.500 . 5.500 5.408 5.351 5.484 . 0 0 "[ . 1 . 2]" 2
1482 2 30 LEU H 2 30 LEU HB2 3.960 . 3.960 2.817 2.687 2.926 . 0 0 "[ . 1 . 2]" 2
1483 2 30 LEU H 2 33 THR MG 4.490 . 4.490 4.089 3.881 4.246 . 0 0 "[ . 1 . 2]" 2
1484 2 29 VAL MG1 2 30 LEU H 3.780 . 3.780 2.663 2.533 2.752 . 0 0 "[ . 1 . 2]" 2
1485 2 29 VAL MG2 2 30 LEU H 3.980 . 3.980 2.782 2.576 3.120 . 0 0 "[ . 1 . 2]" 2
1486 2 48 ASN H 2 55 ARG H 4.090 . 4.090 2.878 2.460 3.188 . 0 0 "[ . 1 . 2]" 2
1487 2 47 ARG HA 2 48 ASN H 3.490 . 3.490 2.099 2.023 2.167 . 0 0 "[ . 1 . 2]" 2
1488 2 48 ASN H 2 49 PRO HD2 5.390 . 5.390 4.880 4.777 5.341 . 0 0 "[ . 1 . 2]" 2
1489 2 48 ASN H 2 52 GLN HA 4.730 . 4.730 4.483 4.232 4.737 0.007 13 0 "[ . 1 . 2]" 2
1490 2 48 ASN H 2 48 ASN HB3 3.720 . 3.720 2.522 2.376 2.633 . 0 0 "[ . 1 . 2]" 2
1491 2 48 ASN H 2 48 ASN HB2 3.680 . 3.680 2.601 2.428 2.825 . 0 0 "[ . 1 . 2]" 2
1492 2 17 GLU H 2 17 GLU QB 2.550 . 2.550 2.540 2.439 2.653 0.103 19 0 "[ . 1 . 2]" 2
1493 2 38 PHE HA 2 40 GLY H 5.080 . 5.080 4.360 4.268 4.505 . 0 0 "[ . 1 . 2]" 2
1494 2 38 PHE QB 2 40 GLY H 4.790 . 4.790 3.157 3.026 3.354 . 0 0 "[ . 1 . 2]" 2
1495 2 34 VAL QG 2 40 GLY H 5.200 . 5.200 5.012 4.890 5.082 . 0 0 "[ . 1 . 2]" 2
1496 2 11 THR HA 2 12 GLU H 3.190 . 3.190 2.550 2.400 2.661 . 0 0 "[ . 1 . 2]" 2
1497 2 12 GLU H 2 78 VAL MG1 4.100 . 4.100 3.479 3.132 3.708 . 0 0 "[ . 1 . 2]" 2
1498 2 81 PRO HA 2 82 LYS H 3.000 . 3.000 2.255 2.091 2.569 . 0 0 "[ . 1 . 2]" 2
1499 2 82 LYS H 2 82 LYS QG 3.390 . 3.390 1.910 1.755 2.083 0.045 6 0 "[ . 1 . 2]" 2
1500 2 31 LEU H 2 64 LEU H 4.400 . 4.400 4.335 4.131 4.459 0.059 8 0 "[ . 1 . 2]" 2
1501 2 31 LEU H 2 33 THR H 4.650 . 4.650 4.203 4.159 4.314 . 0 0 "[ . 1 . 2]" 2
1502 2 31 LEU H 2 34 VAL H 5.120 . 5.120 4.963 4.884 5.006 . 0 0 "[ . 1 . 2]" 2
1503 2 30 LEU HA 2 31 LEU H 3.390 . 3.390 2.178 2.152 2.214 . 0 0 "[ . 1 . 2]" 2
1504 2 31 LEU H 2 63 ILE HA 3.780 . 3.780 3.285 3.167 3.372 . 0 0 "[ . 1 . 2]" 2
1505 2 31 LEU H 2 62 GLY HA3 4.810 . 4.810 3.901 3.738 4.053 . 0 0 "[ . 1 . 2]" 2
1506 2 31 LEU H 2 34 VAL HB 5.500 . 5.500 5.538 5.501 5.564 0.064 12 0 "[ . 1 . 2]" 2
1507 2 31 LEU H 2 31 LEU HB2 3.550 . 3.550 2.536 2.456 2.580 . 0 0 "[ . 1 . 2]" 2
1508 2 31 LEU H 2 31 LEU HB3 3.570 . 3.570 2.509 2.480 2.562 . 0 0 "[ . 1 . 2]" 2
1509 2 30 LEU MD1 2 31 LEU H 4.090 . 4.090 2.120 1.786 2.667 0.014 5 0 "[ . 1 . 2]" 2
1510 2 70 GLY H 2 72 GLY H 5.390 . 5.390 5.347 5.050 5.445 0.055 18 0 "[ . 1 . 2]" 2
1511 2 71 TRP HD1 2 72 GLY H 5.040 . 5.040 4.897 4.724 5.009 . 0 0 "[ . 1 . 2]" 2
1512 2 72 GLY H 2 74 LEU H 4.460 . 4.460 4.281 4.163 4.426 . 0 0 "[ . 1 . 2]" 2
1513 2 72 GLY H 2 73 ASN HA 5.300 . 5.300 5.341 5.294 5.368 0.068 15 0 "[ . 1 . 2]" 2
1514 2 71 TRP HB2 2 72 GLY H 3.660 . 3.660 3.056 2.861 3.262 . 0 0 "[ . 1 . 2]" 2
1515 2 32 SER H 2 35 THR H 4.950 . 4.950 4.753 4.666 4.813 . 0 0 "[ . 1 . 2]" 2
1516 2 32 SER H 2 32 SER HB3 3.320 . 3.320 2.870 2.515 3.522 0.202 12 0 "[ . 1 . 2]" 2
1517 2 32 SER H 2 32 SER HB2 3.320 . 3.320 2.538 2.371 3.529 0.209 5 0 "[ . 1 . 2]" 2
1518 2 32 SER H 2 34 VAL HB 5.500 . 5.500 5.287 5.238 5.355 . 0 0 "[ . 1 . 2]" 2
1519 2 31 LEU HG 2 32 SER H 3.510 . 3.510 3.595 3.553 3.646 0.136 13 0 "[ . 1 . 2]" 2
1520 2 31 LEU HB3 2 32 SER H 3.770 . 3.770 2.520 2.416 2.624 . 0 0 "[ . 1 . 2]" 2
1521 2 30 LEU MD1 2 32 SER H 4.290 . 4.290 2.874 2.631 3.261 . 0 0 "[ . 1 . 2]" 2
1522 2 11 THR H 2 19 ILE H 5.110 . 5.110 4.899 4.623 5.094 . 0 0 "[ . 1 . 2]" 2
1523 2 10 VAL HA 2 11 THR H 3.200 . 3.200 2.285 2.222 2.338 . 0 0 "[ . 1 . 2]" 2
1524 2 11 THR H 2 77 VAL HA 3.890 . 3.890 2.594 2.304 2.815 . 0 0 "[ . 1 . 2]" 2
1525 2 11 THR H 2 78 VAL HA 5.220 . 5.220 5.190 5.031 5.302 0.082 9 0 "[ . 1 . 2]" 2
1526 2 11 THR H 2 11 THR HB 4.130 . 4.130 3.422 3.241 3.510 . 0 0 "[ . 1 . 2]" 2
1527 2 10 VAL HB 2 11 THR H 4.180 . 4.180 3.959 3.900 4.009 . 0 0 "[ . 1 . 2]" 2
1528 2 71 TRP H 2 71 TRP HE3 5.500 . 5.500 4.803 4.571 4.960 . 0 0 "[ . 1 . 2]" 2
1529 2 70 GLY HA3 2 71 TRP H 3.130 . 3.130 2.394 2.315 2.509 . 0 0 "[ . 1 . 2]" 2
1530 2 70 GLY HA2 2 71 TRP H 3.160 . 3.160 2.746 2.618 2.849 . 0 0 "[ . 1 . 2]" 2
1531 2 71 TRP H 2 71 TRP HB2 3.440 . 3.440 2.507 2.433 2.564 . 0 0 "[ . 1 . 2]" 2
1532 2 66 ALA MB 2 71 TRP H 3.300 . 3.300 3.116 2.939 3.249 . 0 0 "[ . 1 . 2]" 2
1533 2 7 ARG H 2 8 ILE H 4.670 . 4.670 4.583 4.457 4.662 . 0 0 "[ . 1 . 2]" 2
1534 2 8 ILE H 2 20 GLU QG 3.890 . 3.890 3.611 2.594 3.904 0.014 2 0 "[ . 1 . 2]" 2
1535 2 9 ARG H 2 20 GLU HA 5.310 . 5.310 4.457 4.307 4.580 . 0 0 "[ . 1 . 2]" 2
1536 2 9 ARG H 2 75 VAL HA 5.470 . 5.470 4.399 4.086 4.636 . 0 0 "[ . 1 . 2]" 2
1537 2 9 ARG H 2 9 ARG HB2 4.050 . 4.050 2.409 2.254 2.670 . 0 0 "[ . 1 . 2]" 2
1538 2 9 ARG H 2 20 GLU QG 3.690 . 3.690 3.522 3.127 3.915 0.225 1 0 "[ . 1 . 2]" 2
1539 2 9 ARG H 2 9 ARG HB3 3.710 . 3.710 3.306 2.522 3.653 . 0 0 "[ . 1 . 2]" 2
1540 2 8 ILE MG 2 9 ARG H 4.250 . 4.250 3.882 3.798 3.968 . 0 0 "[ . 1 . 2]" 2
1541 2 72 GLY QA 2 73 ASN H 3.190 . 3.190 2.913 2.860 2.950 . 0 0 "[ . 1 . 2]" 2
1542 2 73 ASN H 2 73 ASN HB3 3.800 . 3.800 2.677 2.340 2.900 . 0 0 "[ . 1 . 2]" 2
1543 2 73 ASN H 2 73 ASN HB2 3.800 . 3.800 3.743 3.598 3.835 0.035 9 0 "[ . 1 . 2]" 2
1544 2 73 ASN H 2 74 LEU HB3 4.520 . 4.520 4.414 4.260 4.524 0.004 5 0 "[ . 1 . 2]" 2
1545 2 73 ASN H 2 74 LEU MD2 4.580 . 4.580 4.033 3.891 4.167 . 0 0 "[ . 1 . 2]" 2
1546 2 10 VAL HA 2 76 TYR H 4.160 . 4.160 3.265 2.977 3.454 . 0 0 "[ . 1 . 2]" 2
1547 2 75 VAL HA 2 76 TYR H 3.490 . 3.490 2.192 2.134 2.245 . 0 0 "[ . 1 . 2]" 2
1548 2 76 TYR H 2 76 TYR HB3 4.020 . 4.020 3.367 3.005 3.730 . 0 0 "[ . 1 . 2]" 2
1549 2 75 VAL HB 2 76 TYR H 4.120 . 4.120 3.866 3.680 3.976 . 0 0 "[ . 1 . 2]" 2
1550 2 10 VAL MG2 2 76 TYR H 3.430 . 3.430 2.922 2.796 3.026 . 0 0 "[ . 1 . 2]" 2
1551 2 46 TYR H 2 56 GLY H 5.500 . 5.500 4.818 4.571 5.098 . 0 0 "[ . 1 . 2]" 2
1552 2 55 ARG H 2 56 GLY H 5.500 . 5.500 4.444 4.282 4.624 . 0 0 "[ . 1 . 2]" 2
1553 2 56 GLY H 2 57 VAL H 5.080 . 5.080 4.520 4.398 4.602 . 0 0 "[ . 1 . 2]" 2
1554 2 45 ARG HA 2 56 GLY H 5.500 . 5.500 4.624 4.444 4.857 . 0 0 "[ . 1 . 2]" 2
1555 2 45 ARG QG 2 56 GLY H 5.190 . 5.190 4.855 3.593 5.478 0.288 15 0 "[ . 1 . 2]" 2
1556 2 41 ALA H 2 42 CYS H 4.710 . 4.710 4.604 4.586 4.623 . 0 0 "[ . 1 . 2]" 2
1557 2 42 CYS H 2 80 TYR QD 4.400 . 4.400 4.575 4.498 4.688 0.288 18 0 "[ . 1 . 2]" 2
1558 2 42 CYS H 2 80 TYR HA 4.000 . 4.000 2.970 2.600 3.291 . 0 0 "[ . 1 . 2]" 2
1559 2 41 ALA HA 2 42 CYS H 3.270 . 3.270 2.246 2.193 2.309 . 0 0 "[ . 1 . 2]" 2
1560 2 42 CYS H 2 42 CYS HB2 4.140 . 4.140 2.939 2.779 3.820 . 0 0 "[ . 1 . 2]" 2
1561 2 42 CYS H 2 42 CYS HB3 4.140 . 4.140 3.872 3.245 3.940 . 0 0 "[ . 1 . 2]" 2
1562 2 42 CYS H 2 79 ASN HB2 4.440 . 4.440 4.072 3.912 4.219 . 0 0 "[ . 1 . 2]" 2
1563 2 41 ALA MB 2 42 CYS H 3.370 . 3.370 2.669 2.569 2.821 . 0 0 "[ . 1 . 2]" 2
1564 2 10 VAL H 2 20 GLU H 5.400 . 5.400 4.931 4.831 5.133 . 0 0 "[ . 1 . 2]" 2
1565 2 10 VAL H 2 20 GLU HA 4.160 . 4.160 3.504 3.258 3.743 . 0 0 "[ . 1 . 2]" 2
1566 2 10 VAL H 2 11 THR HB 4.770 . 4.770 4.429 4.185 4.744 . 0 0 "[ . 1 . 2]" 2
1567 2 9 ARG HB2 2 10 VAL H 4.580 . 4.580 4.235 4.032 4.432 . 0 0 "[ . 1 . 2]" 2
1568 2 10 VAL H 2 10 VAL MG2 4.360 . 4.360 4.005 3.952 4.050 . 0 0 "[ . 1 . 2]" 2
1569 2 48 ASN H 2 54 MET H 4.840 . 4.840 4.761 4.547 4.955 0.115 11 0 "[ . 1 . 2]" 2
1570 2 53 CYS H 2 54 MET H 4.570 . 4.570 4.438 4.309 4.522 . 0 0 "[ . 1 . 2]" 2
1571 2 53 CYS HB2 2 54 MET H 4.430 . 4.430 3.403 2.567 4.171 . 0 0 "[ . 1 . 2]" 2
1572 2 15 ASN H 2 15 ASN HD22 3.950 . 3.950 3.413 2.895 3.628 . 0 0 "[ . 1 . 2]" 2
1573 2 15 ASN H 2 15 ASN HB2 3.650 . 3.650 2.632 2.432 3.682 0.032 17 0 "[ . 1 . 2]" 2
1574 2 14 GLU QB 2 15 ASN H 3.400 . 3.400 3.239 2.706 3.607 0.207 19 0 "[ . 1 . 2]" 2
1575 2 6 GLU H 2 25 ASP H 5.500 . 5.500 4.775 4.404 5.175 . 0 0 "[ . 1 . 2]" 2
1576 2 25 ASP H 2 28 THR H 5.270 . 5.270 5.222 5.067 5.379 0.109 3 0 "[ . 1 . 2]" 2
1577 2 24 GLU HA 2 25 ASP H 2.980 . 2.980 2.262 2.204 2.308 . 0 0 "[ . 1 . 2]" 2
1578 2 5 SER QB 2 25 ASP H 4.610 . 4.610 2.860 2.115 3.386 . 0 0 "[ . 1 . 2]" 2
1579 2 25 ASP H 2 25 ASP QB 3.010 . 3.010 2.316 2.206 2.563 . 0 0 "[ . 1 . 2]" 2
1580 2 59 LEU H 2 60 VAL H 4.800 . 4.800 4.375 4.281 4.444 . 0 0 "[ . 1 . 2]" 2
1581 2 59 LEU HA 2 60 VAL H 3.430 . 3.430 2.203 2.180 2.250 . 0 0 "[ . 1 . 2]" 2
1582 2 60 VAL H 2 62 GLY HA3 5.500 . 5.500 5.610 5.551 5.668 0.168 10 0 "[ . 1 . 2]" 2
1583 2 60 VAL H 2 60 VAL HB 3.770 . 3.770 3.437 3.348 3.510 . 0 0 "[ . 1 . 2]" 2
1584 2 59 LEU HB3 2 60 VAL H 4.300 . 4.300 3.986 3.902 4.028 . 0 0 "[ . 1 . 2]" 2
1585 2 59 LEU MD1 2 60 VAL H 4.250 . 4.250 2.167 2.049 2.316 . 0 0 "[ . 1 . 2]" 2
1586 2 19 ILE H 2 20 GLU H 4.550 . 4.550 4.527 4.450 4.585 0.035 5 0 "[ . 1 . 2]" 2
1587 2 10 VAL HA 2 19 ILE H 5.110 . 5.110 4.933 4.596 5.171 0.061 2 0 "[ . 1 . 2]" 2
1588 2 11 THR HA 2 19 ILE H 4.090 . 4.090 3.575 3.082 3.814 . 0 0 "[ . 1 . 2]" 2
1589 2 18 PRO HA 2 19 ILE H 3.470 . 3.470 2.153 2.103 2.299 . 0 0 "[ . 1 . 2]" 2
1590 2 11 THR HB 2 19 ILE H 3.730 . 3.730 2.801 2.373 3.364 . 0 0 "[ . 1 . 2]" 2
1591 2 19 ILE H 2 19 ILE HG13 3.520 . 3.520 2.071 1.880 2.177 . 0 0 "[ . 1 . 2]" 2
1592 2 8 ILE H 2 21 ILE H 3.940 . 3.940 2.289 2.008 2.541 . 0 0 "[ . 1 . 2]" 2
1593 2 20 GLU H 2 21 ILE H 4.670 . 4.670 4.263 4.182 4.338 . 0 0 "[ . 1 . 2]" 2
1594 2 20 GLU QG 2 21 ILE H 3.540 . 3.540 3.560 2.660 3.736 0.196 16 0 "[ . 1 . 2]" 2
1595 2 21 ILE H 2 21 ILE HG13 3.630 . 3.630 2.125 2.008 2.298 . 0 0 "[ . 1 . 2]" 2
1596 2 21 ILE H 2 21 ILE MG 4.060 . 4.060 3.860 3.823 3.911 . 0 0 "[ . 1 . 2]" 2
1597 2 21 ILE H 2 29 VAL MG2 5.500 . 5.500 5.355 5.150 5.502 0.002 10 0 "[ . 1 . 2]" 2
1598 2 8 ILE HG12 2 21 ILE H 4.290 . 4.290 2.706 2.508 2.937 . 0 0 "[ . 1 . 2]" 2
1599 2 46 TYR H 2 48 ASN H 5.500 . 5.500 5.206 4.837 5.512 0.012 10 0 "[ . 1 . 2]" 2
1600 2 46 TYR H 2 46 TYR QE 4.430 . 4.430 4.182 3.949 4.489 0.059 3 0 "[ . 1 . 2]" 2
1601 2 46 TYR H 2 47 ARG HA 5.110 . 5.110 4.716 4.507 4.909 . 0 0 "[ . 1 . 2]" 2
1602 2 46 TYR H 2 54 MET ME 4.040 . 4.040 3.407 2.912 3.796 . 0 0 "[ . 1 . 2]" 2
1603 2 34 VAL H 2 35 THR H 3.330 . 3.330 2.595 2.565 2.664 . 0 0 "[ . 1 . 2]" 2
1604 2 31 LEU HA 2 35 THR H 4.230 . 4.230 4.074 3.962 4.147 . 0 0 "[ . 1 . 2]" 2
1605 2 35 THR H 2 38 PHE QB 5.430 . 5.430 4.806 4.713 4.939 . 0 0 "[ . 1 . 2]" 2
1606 2 34 VAL HB 2 35 THR H 3.460 . 3.460 2.341 2.288 2.380 . 0 0 "[ . 1 . 2]" 2
1607 2 35 THR H 2 35 THR MG 3.010 . 3.010 2.365 2.311 2.415 . 0 0 "[ . 1 . 2]" 2
1608 2 53 CYS H 2 55 ARG H 5.160 . 5.160 5.224 4.981 5.352 0.192 4 0 "[ . 1 . 2]" 2
1609 2 45 ARG HA 2 55 ARG H 5.500 . 5.500 5.207 4.829 5.458 . 0 0 "[ . 1 . 2]" 2
1610 2 46 TYR HB2 2 47 ARG H 3.670 . 3.670 2.665 2.265 3.021 . 0 0 "[ . 1 . 2]" 2
1611 2 46 TYR HB3 2 47 ARG H 4.090 . 4.090 3.858 3.703 4.051 . 0 0 "[ . 1 . 2]" 2
1612 2 14 GLU H 2 15 ASN HD22 5.490 . 5.490 4.504 4.059 4.792 . 0 0 "[ . 1 . 2]" 2
1613 2 14 GLU H 2 14 GLU QB 3.000 . 3.000 2.484 2.258 2.719 . 0 0 "[ . 1 . 2]" 2
1614 2 23 SER HB3 2 24 GLU H 3.910 . 3.910 3.084 2.280 3.862 . 0 0 "[ . 1 . 2]" 2
1615 2 23 SER HB2 2 24 GLU H 3.910 . 3.910 2.854 2.234 3.732 . 0 0 "[ . 1 . 2]" 2
1616 2 8 ILE MD 2 24 GLU H 5.500 . 5.500 5.459 5.290 5.552 0.052 2 0 "[ . 1 . 2]" 2
1617 2 63 ILE H 2 64 LEU H 4.460 . 4.460 4.309 4.280 4.357 . 0 0 "[ . 1 . 2]" 2
1618 2 64 LEU H 2 65 HIS H 4.970 . 4.970 4.500 4.463 4.530 . 0 0 "[ . 1 . 2]" 2
1619 2 64 LEU H 2 65 HIS HD2 4.950 . 4.950 4.521 4.236 4.855 . 0 0 "[ . 1 . 2]" 2
1620 2 64 LEU H 2 71 TRP HH2 5.120 . 5.120 4.194 4.073 4.300 . 0 0 "[ . 1 . 2]" 2
1621 2 30 LEU HA 2 64 LEU H 4.110 . 4.110 3.776 3.575 3.957 . 0 0 "[ . 1 . 2]" 2
1622 2 63 ILE HA 2 64 LEU H 3.490 . 3.490 2.098 2.085 2.106 . 0 0 "[ . 1 . 2]" 2
1623 2 28 THR HB 2 64 LEU H 5.500 . 5.500 4.753 4.375 5.025 . 0 0 "[ . 1 . 2]" 2
1624 2 31 LEU HA 2 64 LEU H 5.500 . 5.500 5.086 4.901 5.235 . 0 0 "[ . 1 . 2]" 2
1625 2 64 LEU H 2 64 LEU HB2 3.960 . 3.960 2.376 2.332 2.400 . 0 0 "[ . 1 . 2]" 2
1626 2 29 VAL MG2 2 64 LEU H 5.310 . 5.310 5.057 4.941 5.129 . 0 0 "[ . 1 . 2]" 2
1627 2 45 ARG H 2 46 TYR H 4.510 . 4.510 4.366 4.326 4.410 . 0 0 "[ . 1 . 2]" 2
1628 2 44 LEU H 2 45 ARG H 4.820 . 4.820 4.372 4.311 4.410 . 0 0 "[ . 1 . 2]" 2
1629 2 45 ARG H 2 79 ASN H 4.680 . 4.680 4.205 4.051 4.325 . 0 0 "[ . 1 . 2]" 2
1630 2 44 LEU HA 2 45 ARG H 3.500 . 3.500 2.316 2.227 2.384 . 0 0 "[ . 1 . 2]" 2
1631 2 45 ARG H 2 79 ASN HA 5.330 . 5.330 5.295 5.056 5.431 0.101 19 0 "[ . 1 . 2]" 2
1632 2 44 LEU HB2 2 45 ARG H 4.250 . 4.250 3.974 3.677 4.273 0.023 2 0 "[ . 1 . 2]" 2
1633 2 58 ARG H 2 59 LEU H 5.370 . 5.370 4.590 4.465 4.644 . 0 0 "[ . 1 . 2]" 2
1634 2 60 VAL H 2 61 GLU H 4.500 . 4.500 3.859 3.692 4.030 . 0 0 "[ . 1 . 2]" 2
1635 2 61 GLU H 2 62 GLY H 3.740 . 3.740 2.790 2.680 2.925 . 0 0 "[ . 1 . 2]" 2
1636 2 60 VAL HA 2 61 GLU H 3.190 . 3.190 2.116 2.096 2.159 . 0 0 "[ . 1 . 2]" 2
1637 2 61 GLU H 2 61 GLU HB2 4.110 . 4.110 3.605 3.465 3.987 . 0 0 "[ . 1 . 2]" 2
1638 2 61 GLU H 2 61 GLU HB3 4.110 . 4.110 3.911 3.014 4.064 . 0 0 "[ . 1 . 2]" 2
1639 2 59 LEU HB3 2 61 GLU H 5.460 . 5.460 5.283 4.852 5.518 0.058 14 0 "[ . 1 . 2]" 2
1640 2 60 VAL MG1 2 61 GLU H 4.330 . 4.330 4.214 4.138 4.267 . 0 0 "[ . 1 . 2]" 2
1641 2 76 TYR H 2 77 VAL H 4.600 . 4.600 2.875 2.729 3.044 . 0 0 "[ . 1 . 2]" 2
1642 2 11 THR H 2 77 VAL H 5.070 . 5.070 4.548 4.377 4.754 . 0 0 "[ . 1 . 2]" 2
1643 2 46 TYR QD 2 77 VAL H 5.020 . 5.020 4.907 4.591 5.127 0.107 10 0 "[ . 1 . 2]" 2
1644 2 75 VAL HA 2 77 VAL H 5.200 . 5.200 4.990 4.844 5.189 . 0 0 "[ . 1 . 2]" 2
1645 2 77 VAL H 2 78 VAL HA 5.500 . 5.500 4.979 4.868 5.058 . 0 0 "[ . 1 . 2]" 2
1646 2 76 TYR HB3 2 77 VAL H 4.260 . 4.260 1.991 1.761 2.370 0.039 18 0 "[ . 1 . 2]" 2
1647 2 76 TYR HB2 2 77 VAL H 4.280 . 4.280 3.107 2.371 3.605 . 0 0 "[ . 1 . 2]" 2
1648 2 77 VAL H 2 77 VAL HB 3.630 . 3.630 2.704 2.654 2.758 . 0 0 "[ . 1 . 2]" 2
1649 2 15 ASN H 2 15 ASN HD21 3.680 . 3.680 2.196 2.098 2.295 . 0 0 "[ . 1 . 2]" 2
1650 2 15 ASN HA 2 15 ASN HD21 4.360 . 4.360 3.890 3.743 3.988 . 0 0 "[ . 1 . 2]" 2
1651 2 15 ASN HB3 2 15 ASN HD21 3.470 . 3.470 3.330 2.228 3.473 0.003 19 0 "[ . 1 . 2]" 2
1652 2 15 ASN HB2 2 15 ASN HD21 3.470 . 3.470 2.342 2.196 3.460 . 0 0 "[ . 1 . 2]" 2
1653 2 14 GLU QB 2 15 ASN HD21 4.620 . 4.620 4.145 3.417 4.663 0.043 19 0 "[ . 1 . 2]" 2
1654 2 15 ASN HA 2 15 ASN HD22 4.680 . 4.680 4.443 4.273 4.971 0.291 17 0 "[ . 1 . 2]" 2
1655 2 14 GLU QB 2 15 ASN HD22 4.620 . 4.620 4.287 3.715 4.732 0.112 17 0 "[ . 1 . 2]" 2
1656 2 37 GLN HE22 2 38 PHE H 5.500 . 5.500 5.558 5.122 6.068 0.568 6 1 "[ .+ 1 . 2]" 2
1657 2 37 GLN QB 2 37 GLN HE22 3.790 . 3.790 3.610 3.095 3.833 0.043 18 0 "[ . 1 . 2]" 2
1658 2 37 GLN HE21 2 38 PHE H 5.230 . 5.230 4.774 4.141 5.175 . 0 0 "[ . 1 . 2]" 2
1659 2 19 ILE HA 2 37 GLN HE21 5.500 . 5.500 5.321 4.559 5.754 0.254 6 0 "[ . 1 . 2]" 2
1660 2 37 GLN HA 2 37 GLN HE21 4.190 . 4.190 3.862 2.098 4.463 0.273 16 0 "[ . 1 . 2]" 2
1661 2 37 GLN QB 2 37 GLN HE21 3.500 . 3.500 2.381 1.741 2.760 0.059 7 0 "[ . 1 . 2]" 2
1662 2 19 ILE MG 2 37 GLN HE21 4.300 . 4.300 2.730 1.825 4.196 . 0 0 "[ . 1 . 2]" 2
1663 2 19 ILE MD 2 37 GLN HE21 3.720 . 3.720 2.730 1.742 3.713 0.058 8 0 "[ . 1 . 2]" 2
1664 2 52 GLN H 2 52 GLN HE22 4.630 . 4.630 3.870 3.520 4.123 . 0 0 "[ . 1 . 2]" 2
1665 2 50 VAL H 2 52 GLN HE22 5.010 . 5.010 4.939 4.647 5.092 0.082 1 0 "[ . 1 . 2]" 2
1666 2 49 PRO HA 2 52 GLN HE22 3.560 . 3.560 1.906 1.762 2.151 0.038 2 0 "[ . 1 . 2]" 2
1667 2 52 GLN HA 2 52 GLN HE22 4.300 . 4.300 3.207 3.108 3.324 . 0 0 "[ . 1 . 2]" 2
1668 2 49 PRO HB2 2 52 GLN HE22 3.820 . 3.820 3.938 3.854 4.038 0.218 16 0 "[ . 1 . 2]" 2
1669 2 52 GLN HE22 2 52 GLN HG2 3.630 . 3.630 3.471 3.462 3.479 . 0 0 "[ . 1 . 2]" 2
1670 2 24 GLU H 2 71 TRP HE1 5.070 . 5.070 3.585 3.376 3.885 . 0 0 "[ . 1 . 2]" 2
1671 2 71 TRP H 2 71 TRP HE1 4.880 . 4.880 4.892 4.725 4.986 0.106 9 0 "[ . 1 . 2]" 2
1672 2 28 THR H 2 71 TRP HE1 4.670 . 4.670 3.087 2.883 3.333 . 0 0 "[ . 1 . 2]" 2
1673 2 28 THR HA 2 71 TRP HE1 4.390 . 4.390 3.924 3.794 4.042 . 0 0 "[ . 1 . 2]" 2
1674 2 27 GLY HA3 2 71 TRP HE1 4.030 . 4.030 3.861 3.695 4.005 . 0 0 "[ . 1 . 2]" 2
1675 2 27 GLY HA2 2 71 TRP HE1 4.030 . 4.030 2.327 2.153 2.504 . 0 0 "[ . 1 . 2]" 2
1676 2 71 TRP HB2 2 71 TRP HE1 4.930 . 4.930 4.739 4.716 4.759 . 0 0 "[ . 1 . 2]" 2
1677 2 6 GLU QG 2 71 TRP HE1 4.530 . 4.530 4.281 3.844 4.524 . 0 0 "[ . 1 . 2]" 2
1678 2 6 GLU HB3 2 71 TRP HE1 4.570 . 4.570 4.401 4.052 4.648 0.078 18 0 "[ . 1 . 2]" 2
1679 2 29 VAL HB 2 71 TRP HE1 5.020 . 5.020 4.569 4.367 4.746 . 0 0 "[ . 1 . 2]" 2
1680 2 29 VAL MG2 2 71 TRP HE1 3.990 . 3.990 3.897 3.532 4.023 0.033 2 0 "[ . 1 . 2]" 2
1681 2 66 ALA MB 2 71 TRP HE1 3.440 . 3.440 3.378 3.261 3.474 0.034 18 0 "[ . 1 . 2]" 2
1682 2 73 ASN H 2 73 ASN HD21 4.460 . 4.460 2.257 1.902 2.640 . 0 0 "[ . 1 . 2]" 2
1683 2 73 ASN HA 2 73 ASN HD21 4.330 . 4.330 4.083 3.688 4.214 . 0 0 "[ . 1 . 2]" 2
1684 2 73 ASN HD21 2 74 LEU HA 5.470 . 5.470 5.342 4.215 5.667 0.197 13 0 "[ . 1 . 2]" 2
1685 2 72 GLY QA 2 73 ASN HD21 5.500 . 5.500 4.574 4.148 5.164 . 0 0 "[ . 1 . 2]" 2
1686 2 73 ASN HD21 2 74 LEU MD2 4.850 . 4.850 3.711 3.014 4.199 . 0 0 "[ . 1 . 2]" 2
1687 2 73 ASN H 2 73 ASN HD22 4.640 . 4.640 3.595 3.214 4.176 . 0 0 "[ . 1 . 2]" 2
1688 2 73 ASN HA 2 73 ASN HD22 5.080 . 5.080 5.090 4.929 5.130 0.050 12 0 "[ . 1 . 2]" 2
1689 2 73 ASN HB2 2 73 ASN HD22 4.090 . 4.090 4.062 4.048 4.083 . 0 0 "[ . 1 . 2]" 2
1690 2 73 ASN HD22 2 74 LEU HB3 5.500 . 5.500 3.576 3.036 4.005 . 0 0 "[ . 1 . 2]" 2
1691 2 79 ASN H 2 79 ASN HD21 5.000 . 5.000 4.729 4.154 4.876 . 0 0 "[ . 1 . 2]" 2
1692 2 79 ASN HA 2 79 ASN HD21 4.660 . 4.660 2.989 1.830 4.309 . 0 0 "[ . 1 . 2]" 2
1693 2 79 ASN H 2 79 ASN HD22 5.460 . 5.460 5.223 4.851 5.385 . 0 0 "[ . 1 . 2]" 2
1694 2 44 LEU HA 2 79 ASN HD22 5.500 . 5.500 5.415 4.532 5.625 0.125 9 0 "[ . 1 . 2]" 2
1695 2 79 ASN HB3 2 79 ASN HD22 3.810 . 3.810 3.456 3.365 3.705 . 0 0 "[ . 1 . 2]" 2
1696 1 37 GLN QB 2 79 ASN HD22 4.340 . 4.340 2.453 1.990 3.646 . 0 0 "[ . 1 . 2]" 2
1697 2 52 GLN H 2 52 GLN HE21 4.400 . 4.400 2.474 2.316 2.653 . 0 0 "[ . 1 . 2]" 2
1698 2 50 VAL H 2 52 GLN HE21 4.830 . 4.830 4.195 3.962 4.537 . 0 0 "[ . 1 . 2]" 2
1699 2 49 PRO HA 2 52 GLN HE21 3.530 . 3.530 2.400 2.038 2.870 . 0 0 "[ . 1 . 2]" 2
1700 2 52 GLN HA 2 52 GLN HE21 4.090 . 4.090 2.634 2.379 2.892 . 0 0 "[ . 1 . 2]" 2
1701 2 52 GLN HE21 2 52 GLN HG2 3.190 . 3.190 2.203 2.182 2.220 . 0 0 "[ . 1 . 2]" 2
1702 2 74 LEU H 2 74 LEU HG 3.240 . 3.240 2.028 1.931 2.117 . 0 0 "[ . 1 . 2]" 2
1703 2 43 GLY H 2 79 ASN HB2 4.700 . 4.700 4.501 4.405 4.632 . 0 0 "[ . 1 . 2]" 2
1704 2 43 GLY H 2 78 VAL MG2 4.900 . 4.900 4.694 4.491 4.866 . 0 0 "[ . 1 . 2]" 2
1705 2 78 VAL HB 2 79 ASN H 3.960 . 3.960 3.923 3.886 3.997 0.037 20 0 "[ . 1 . 2]" 2
1706 2 74 LEU HG 2 75 VAL H 3.680 . 3.680 3.170 2.902 3.444 . 0 0 "[ . 1 . 2]" 2
1707 2 50 VAL H 2 50 VAL HB 2.770 . 2.770 2.449 2.356 2.515 . 0 0 "[ . 1 . 2]" 2
1708 2 82 LYS QG 2 83 ASP H 3.320 . 3.320 2.930 2.592 3.407 0.087 20 0 "[ . 1 . 2]" 2
1709 2 13 ASP H 2 14 GLU H 4.430 . 4.430 4.144 3.998 4.383 . 0 0 "[ . 1 . 2]" 2
1710 2 22 PRO HB2 2 23 SER H 3.880 . 3.880 3.910 3.801 3.974 0.094 11 0 "[ . 1 . 2]" 2
1711 2 7 ARG QB 2 23 SER H 4.750 . 4.750 4.397 4.114 4.633 . 0 0 "[ . 1 . 2]" 2
1712 2 7 ARG H 2 7 ARG QD 3.510 . 3.510 2.353 1.790 2.979 0.010 5 0 "[ . 1 . 2]" 2
1713 2 7 ARG H 2 7 ARG QB 2.900 . 2.900 2.864 2.751 3.134 0.234 9 0 "[ . 1 . 2]" 2
1714 2 11 THR HB 2 12 GLU H 3.790 . 3.790 3.619 3.505 3.826 0.036 15 0 "[ . 1 . 2]" 2
1715 2 70 GLY H 2 71 TRP H 4.640 . 4.640 4.551 4.470 4.629 . 0 0 "[ . 1 . 2]" 2
1716 2 7 ARG QB 2 8 ILE H 3.390 . 3.390 2.740 2.689 2.794 . 0 0 "[ . 1 . 2]" 2
1717 2 8 ILE H 2 21 ILE HG13 4.030 . 4.030 4.054 3.882 4.131 0.101 1 0 "[ . 1 . 2]" 2
1718 2 9 ARG HB3 2 10 VAL H 3.660 . 3.660 3.480 3.041 3.896 0.236 14 0 "[ . 1 . 2]" 2
1719 2 15 ASN H 2 15 ASN HB3 3.650 . 3.650 3.570 2.864 3.665 0.015 4 0 "[ . 1 . 2]" 2
1720 2 19 ILE H 2 19 ILE MD 3.940 . 3.940 3.579 3.310 3.718 . 0 0 "[ . 1 . 2]" 2
1721 2 31 LEU HG 2 35 THR H 4.190 . 4.190 4.048 3.942 4.187 . 0 0 "[ . 1 . 2]" 2
1722 2 46 TYR QD 2 47 ARG H 4.520 . 4.520 3.836 3.078 4.313 . 0 0 "[ . 1 . 2]" 2
1723 2 46 TYR QD 2 55 ARG H 4.970 . 4.970 4.495 4.261 4.782 . 0 0 "[ . 1 . 2]" 2
1724 2 15 ASN HB2 2 15 ASN HD22 4.070 . 4.070 3.524 3.459 4.031 . 0 0 "[ . 1 . 2]" 2
1725 2 73 ASN HD22 2 74 LEU HG 5.500 . 5.500 4.306 4.032 4.650 . 0 0 "[ . 1 . 2]" 2
1726 2 33 THR H 2 34 VAL HB 4.980 . 4.980 4.686 4.604 4.756 . 0 0 "[ . 1 . 2]" 2
1727 2 67 PRO HB3 2 70 GLY H 4.770 . 4.770 4.795 4.593 4.967 0.197 20 0 "[ . 1 . 2]" 2
1728 2 79 ASN HD22 2 80 TYR H 5.160 . 5.160 4.945 4.590 5.447 0.287 20 0 "[ . 1 . 2]" 2
1729 2 7 ARG QD 2 23 SER H 5.380 . 5.380 5.396 5.206 5.479 0.099 11 0 "[ . 1 . 2]" 2
1730 2 27 GLY H 2 71 TRP HZ2 5.500 . 5.500 5.227 5.086 5.492 . 0 0 "[ . 1 . 2]" 2
1731 2 63 ILE H 2 65 HIS HD2 5.310 . 5.310 5.031 4.767 5.266 . 0 0 "[ . 1 . 2]" 2
1732 2 64 LEU HB3 2 66 ALA H 4.790 . 4.790 4.835 4.770 4.871 0.081 8 0 "[ . 1 . 2]" 2
1733 2 5 SER QB 2 7 ARG H 5.160 . 5.160 5.238 4.928 5.562 0.402 1 0 "[ . 1 . 2]" 2
1734 2 6 GLU H 2 8 ILE MG 5.210 . 5.210 5.226 5.077 5.422 0.212 18 0 "[ . 1 . 2]" 2
1735 2 6 GLU H 2 7 ARG QD 5.500 . 5.500 5.695 5.553 5.808 0.308 11 0 "[ . 1 . 2]" 2
1736 2 46 TYR QE 2 48 ASN H 5.470 . 5.470 5.196 4.642 5.495 0.025 14 0 "[ . 1 . 2]" 2
1737 2 38 PHE HD1 2 40 GLY H 5.500 . 5.500 5.632 5.566 5.703 0.203 8 0 "[ . 1 . 2]" 2
1738 2 11 THR H 2 38 PHE HE2 5.500 . 5.500 5.255 4.898 5.489 . 0 0 "[ . 1 . 2]" 2
1739 2 8 ILE H 2 23 SER H 4.500 . 4.500 4.023 3.823 4.240 . 0 0 "[ . 1 . 2]" 2
1740 2 8 ILE MD 2 9 ARG H 5.310 . 5.310 5.091 4.919 5.254 . 0 0 "[ . 1 . 2]" 2
1741 2 7 ARG QD 2 9 ARG H 4.790 . 4.790 4.453 4.049 4.853 0.063 10 0 "[ . 1 . 2]" 2
1742 2 46 TYR H 2 77 VAL H 5.390 . 5.390 4.996 4.682 5.126 . 0 0 "[ . 1 . 2]" 2
1743 2 8 ILE MG 2 24 GLU H 5.340 . 5.340 5.403 5.251 5.539 0.199 8 0 "[ . 1 . 2]" 2
1744 2 45 ARG H 2 78 VAL HA 4.470 . 4.470 3.201 2.985 3.310 . 0 0 "[ . 1 . 2]" 2
1745 2 45 ARG H 2 57 VAL H 5.330 . 5.330 5.189 4.919 5.359 0.029 3 0 "[ . 1 . 2]" 2
1746 2 45 ARG H 2 46 TYR QD 4.700 . 4.700 4.584 4.238 4.796 0.096 19 0 "[ . 1 . 2]" 2
1747 2 45 ARG H 2 76 TYR H 5.500 . 5.500 5.317 5.031 5.565 0.065 19 0 "[ . 1 . 2]" 2
1748 2 61 GLU H 2 62 GLY HA3 5.490 . 5.490 5.375 5.292 5.485 . 0 0 "[ . 1 . 2]" 2
1749 2 46 TYR HB3 2 77 VAL H 4.640 . 4.640 3.298 2.672 3.755 . 0 0 "[ . 1 . 2]" 2
1750 2 73 ASN HD21 2 74 LEU HG 5.500 . 5.500 4.145 3.128 4.530 . 0 0 "[ . 1 . 2]" 2
1751 2 5 SER H 2 7 ARG H 4.570 . 4.570 4.635 4.209 5.046 0.476 5 0 "[ . 1 . 2]" 2
1752 2 7 ARG H 2 23 SER H 4.770 . 4.770 4.145 3.766 4.373 . 0 0 "[ . 1 . 2]" 2
1753 2 46 TYR QE 2 55 ARG H 5.150 . 5.150 4.930 4.496 5.233 0.083 17 0 "[ . 1 . 2]" 2
1754 2 78 VAL MG2 2 79 ASN HD21 5.500 . 5.500 5.771 5.355 5.948 0.448 19 0 "[ . 1 . 2]" 2
1755 2 24 GLU H 2 71 TRP HD1 5.500 . 5.500 5.313 5.079 5.562 0.062 6 0 "[ . 1 . 2]" 2
1756 2 24 GLU H 2 71 TRP HZ2 5.500 . 5.500 4.518 4.297 4.843 . 0 0 "[ . 1 . 2]" 2
1757 2 15 ASN HD22 2 16 ASP H 5.500 . 5.500 5.456 4.487 5.649 0.149 5 0 "[ . 1 . 2]" 2
1758 2 44 LEU H 2 79 ASN HB2 5.250 . 5.250 3.838 3.714 4.013 . 0 0 "[ . 1 . 2]" 2
1759 2 8 ILE MD 2 30 LEU H 5.500 . 5.500 5.571 5.507 5.645 0.145 12 0 "[ . 1 . 2]" 2
1760 2 12 GLU H 2 19 ILE H 5.500 . 5.500 5.574 5.256 5.712 0.212 5 0 "[ . 1 . 2]" 2
1761 2 45 ARG H 2 79 ASN HB2 5.060 . 5.060 5.076 4.896 5.188 0.128 6 0 "[ . 1 . 2]" 2
1762 2 72 GLY H 2 74 LEU HG 4.800 . 4.800 4.461 4.268 4.690 . 0 0 "[ . 1 . 2]" 2
1763 2 69 ALA MB 2 72 GLY H 5.240 . 5.240 5.084 4.922 5.260 0.020 7 0 "[ . 1 . 2]" 2
1764 2 14 GLU H 2 15 ASN HD21 4.170 . 4.170 3.728 3.500 4.144 . 0 0 "[ . 1 . 2]" 2
1765 2 12 GLU H 2 14 GLU H 5.500 . 5.500 5.685 5.562 5.853 0.353 12 0 "[ . 1 . 2]" 2
1766 2 36 ALA H 2 38 PHE QB 5.200 . 5.200 5.269 5.198 5.357 0.157 1 0 "[ . 1 . 2]" 2
1767 2 48 ASN HB3 2 50 VAL H 4.490 . 4.490 3.809 3.334 4.069 . 0 0 "[ . 1 . 2]" 2
1768 2 48 ASN HB3 2 52 GLN H 4.120 . 4.120 3.560 3.104 4.033 . 0 0 "[ . 1 . 2]" 2
1769 2 60 VAL H 2 65 HIS HD2 4.420 . 4.420 3.944 3.595 4.333 . 0 0 "[ . 1 . 2]" 2
1770 2 8 ILE MD 2 71 TRP HE1 4.980 . 4.980 4.830 4.593 4.975 . 0 0 "[ . 1 . 2]" 2
1771 2 8 ILE MD 2 21 ILE H 4.780 . 4.780 3.905 3.800 4.041 . 0 0 "[ . 1 . 2]" 2
1772 2 8 ILE H 2 8 ILE MD 4.050 . 4.050 3.882 3.765 3.976 . 0 0 "[ . 1 . 2]" 2
1773 2 8 ILE MD 2 71 TRP HZ2 4.960 . 4.960 4.818 4.671 4.972 0.012 1 0 "[ . 1 . 2]" 2
1774 2 8 ILE MD 2 71 TRP HH2 5.070 . 5.070 4.783 4.493 5.006 . 0 0 "[ . 1 . 2]" 2
1775 2 8 ILE MD 2 71 TRP HE3 4.740 . 4.740 3.686 3.401 4.010 . 0 0 "[ . 1 . 2]" 2
1776 2 8 ILE MD 2 21 ILE HA 5.080 . 5.080 4.890 4.757 5.092 0.012 10 0 "[ . 1 . 2]" 2
1777 2 8 ILE HA 2 8 ILE MD 4.190 . 4.190 4.200 4.185 4.214 0.024 10 0 "[ . 1 . 2]" 2
1778 2 8 ILE MD 2 23 SER HB3 4.240 . 4.240 3.086 2.376 3.730 . 0 0 "[ . 1 . 2]" 2
1779 2 8 ILE MD 2 34 VAL HA 5.370 . 5.370 5.089 4.886 5.199 . 0 0 "[ . 1 . 2]" 2
1780 2 8 ILE MD 2 23 SER HB2 4.240 . 4.240 3.721 2.375 4.071 . 0 0 "[ . 1 . 2]" 2
1781 2 8 ILE MD 2 29 VAL HB 3.760 . 3.760 3.448 3.365 3.505 . 0 0 "[ . 1 . 2]" 2
1782 2 8 ILE HB 2 8 ILE MD 3.340 . 3.340 2.519 2.488 2.580 . 0 0 "[ . 1 . 2]" 2
1783 2 8 ILE H 2 8 ILE HG12 4.460 . 4.460 2.218 2.084 2.339 . 0 0 "[ . 1 . 2]" 2
1784 2 7 ARG HA 2 8 ILE HG12 5.140 . 5.140 3.675 3.604 3.767 . 0 0 "[ . 1 . 2]" 2
1785 2 8 ILE HG12 2 29 VAL MG2 4.820 . 4.820 3.489 3.371 3.618 . 0 0 "[ . 1 . 2]" 2
1786 2 8 ILE MG 2 71 TRP HE1 4.860 . 4.860 4.257 4.005 4.558 . 0 0 "[ . 1 . 2]" 2
1787 2 8 ILE MG 2 21 ILE H 4.480 . 4.480 4.405 4.273 4.553 0.073 10 0 "[ . 1 . 2]" 2
1788 2 8 ILE H 2 8 ILE MG 3.280 . 3.280 2.959 2.792 3.068 . 0 0 "[ . 1 . 2]" 2
1789 2 8 ILE MG 2 71 TRP HD1 4.140 . 4.140 3.289 2.976 3.564 . 0 0 "[ . 1 . 2]" 2
1790 2 8 ILE MG 2 71 TRP HB3 3.680 . 3.680 2.014 1.793 2.246 0.007 7 0 "[ . 1 . 2]" 2
1791 2 8 ILE MG 2 71 TRP HB2 3.610 . 3.610 2.440 2.293 2.705 . 0 0 "[ . 1 . 2]" 2
1792 2 8 ILE MD 2 8 ILE MG 3.010 . 3.010 1.876 1.838 1.912 . 0 0 "[ . 1 . 2]" 2
1793 2 66 ALA MB 2 70 GLY H 3.660 . 3.660 3.344 3.169 3.462 . 0 0 "[ . 1 . 2]" 2
1794 2 66 ALA MB 2 71 TRP HD1 3.920 . 3.920 3.868 3.742 3.981 0.061 18 0 "[ . 1 . 2]" 2
1795 2 66 ALA MB 2 71 TRP HZ2 3.790 . 3.790 3.318 3.223 3.418 . 0 0 "[ . 1 . 2]" 2
1796 2 66 ALA MB 2 71 TRP HE3 4.560 . 4.560 3.422 3.267 3.573 . 0 0 "[ . 1 . 2]" 2
1797 2 65 HIS HA 2 66 ALA MB 4.070 . 4.070 3.934 3.901 3.964 . 0 0 "[ . 1 . 2]" 2
1798 2 66 ALA MB 2 70 GLY HA3 3.730 . 3.730 3.534 3.300 3.717 . 0 0 "[ . 1 . 2]" 2
1799 2 66 ALA MB 2 70 GLY HA2 3.440 . 3.440 2.202 1.967 2.386 . 0 0 "[ . 1 . 2]" 2
1800 2 66 ALA MB 2 67 PRO HD3 3.510 . 3.510 3.180 2.846 3.474 . 0 0 "[ . 1 . 2]" 2
1801 2 66 ALA MB 2 67 PRO HD2 3.350 . 3.350 2.340 2.095 2.560 . 0 0 "[ . 1 . 2]" 2
1802 2 66 ALA MB 2 74 LEU MD1 5.010 . 5.010 4.330 4.129 4.549 . 0 0 "[ . 1 . 2]" 2
1803 2 45 ARG H 2 78 VAL MG2 4.860 . 4.860 4.928 4.799 4.993 0.133 9 0 "[ . 1 . 2]" 2
1804 2 11 THR H 2 78 VAL MG1 3.960 . 3.960 3.604 3.448 3.805 . 0 0 "[ . 1 . 2]" 2
1805 2 24 GLU H 2 29 VAL MG2 3.990 . 3.990 3.220 2.933 3.475 . 0 0 "[ . 1 . 2]" 2
1806 2 8 ILE H 2 29 VAL MG2 5.410 . 5.410 5.156 4.974 5.293 . 0 0 "[ . 1 . 2]" 2
1807 2 29 VAL MG2 2 71 TRP HD1 5.060 . 5.060 5.028 4.758 5.131 0.071 17 0 "[ . 1 . 2]" 2
1808 2 29 VAL MG2 2 71 TRP HE3 5.240 . 5.240 5.072 4.772 5.259 0.019 4 0 "[ . 1 . 2]" 2
1809 2 23 SER HB3 2 29 VAL MG2 3.810 . 3.810 2.180 1.838 3.250 . 0 0 "[ . 1 . 2]" 2
1810 2 29 VAL MG2 2 34 VAL HA 5.390 . 5.390 5.177 4.942 5.432 0.042 7 0 "[ . 1 . 2]" 2
1811 2 23 SER HB2 2 29 VAL MG2 3.810 . 3.810 2.680 1.851 3.358 . 0 0 "[ . 1 . 2]" 2
1812 2 22 PRO QG 2 29 VAL MG2 5.210 . 5.210 5.116 4.879 5.253 0.043 6 0 "[ . 1 . 2]" 2
1813 2 29 VAL MG2 2 33 THR MG 3.690 . 3.690 3.577 3.347 3.735 0.045 1 0 "[ . 1 . 2]" 2
1814 2 21 ILE MG 2 29 VAL MG2 3.640 . 3.640 3.258 2.723 3.624 . 0 0 "[ . 1 . 2]" 2
1815 2 8 ILE MG 2 29 VAL MG2 3.420 . 3.420 3.357 3.163 3.472 0.052 3 0 "[ . 1 . 2]" 2
1816 2 8 ILE MD 2 29 VAL MG2 3.290 . 3.290 1.906 1.821 1.995 . 0 0 "[ . 1 . 2]" 2
1817 2 29 VAL MG1 2 64 LEU H 4.050 . 4.050 2.673 2.409 2.946 . 0 0 "[ . 1 . 2]" 2
1818 2 29 VAL MG1 2 33 THR H 4.490 . 4.490 4.467 4.129 4.572 0.082 8 0 "[ . 1 . 2]" 2
1819 2 29 VAL MG1 2 34 VAL H 4.170 . 4.170 3.763 3.433 3.904 . 0 0 "[ . 1 . 2]" 2
1820 2 29 VAL MG1 2 71 TRP HZ2 4.750 . 4.750 4.226 4.084 4.523 . 0 0 "[ . 1 . 2]" 2
1821 2 29 VAL MG1 2 71 TRP HH2 4.280 . 4.280 3.575 3.442 4.140 . 0 0 "[ . 1 . 2]" 2
1822 2 29 VAL MG1 2 64 LEU HA 4.620 . 4.620 4.369 4.245 4.561 . 0 0 "[ . 1 . 2]" 2
1823 2 29 VAL HA 2 29 VAL MG1 3.260 . 3.260 2.982 2.838 3.036 . 0 0 "[ . 1 . 2]" 2
1824 2 29 VAL MG1 2 31 LEU HA 3.810 . 3.810 3.704 3.592 3.829 0.019 12 0 "[ . 1 . 2]" 2
1825 2 29 VAL MG1 2 34 VAL HA 4.800 . 4.800 4.538 4.204 4.704 . 0 0 "[ . 1 . 2]" 2
1826 2 29 VAL MG1 2 64 LEU HB3 3.670 . 3.670 3.375 3.244 3.500 . 0 0 "[ . 1 . 2]" 2
1827 2 29 VAL MG1 2 64 LEU HB2 3.200 . 3.200 1.946 1.849 2.185 . 0 0 "[ . 1 . 2]" 2
1828 2 8 ILE MD 2 29 VAL MG1 3.370 . 3.370 3.050 2.883 3.229 . 0 0 "[ . 1 . 2]" 2
1829 2 63 ILE MG 2 64 LEU H 3.700 . 3.700 2.924 2.834 2.996 . 0 0 "[ . 1 . 2]" 2
1830 2 31 LEU H 2 63 ILE MG 4.850 . 4.850 4.819 4.610 4.947 0.097 5 0 "[ . 1 . 2]" 2
1831 2 29 VAL H 2 63 ILE MG 3.690 . 3.690 3.149 3.005 3.319 . 0 0 "[ . 1 . 2]" 2
1832 2 63 ILE H 2 63 ILE MG 4.080 . 4.080 3.789 3.775 3.804 . 0 0 "[ . 1 . 2]" 2
1833 2 63 ILE MG 2 65 HIS HD2 3.990 . 3.990 2.194 1.927 2.328 . 0 0 "[ . 1 . 2]" 2
1834 2 63 ILE MG 2 64 LEU HA 4.700 . 4.700 4.029 3.939 4.122 . 0 0 "[ . 1 . 2]" 2
1835 2 28 THR HA 2 63 ILE MG 4.160 . 4.160 3.697 3.522 3.977 . 0 0 "[ . 1 . 2]" 2
1836 2 63 ILE HA 2 63 ILE MG 3.440 . 3.440 2.421 2.389 2.454 . 0 0 "[ . 1 . 2]" 2
1837 2 28 THR HB 2 63 ILE MG 3.270 . 3.270 2.399 2.158 2.661 . 0 0 "[ . 1 . 2]" 2
1838 2 63 ILE HG12 2 63 ILE MG 3.370 . 3.370 3.203 3.186 3.210 . 0 0 "[ . 1 . 2]" 2
1839 2 63 ILE MG 2 64 LEU HB2 4.640 . 4.640 4.443 4.277 4.564 . 0 0 "[ . 1 . 2]" 2
1840 2 63 ILE HG13 2 63 ILE MG 3.470 . 3.470 2.475 2.433 2.529 . 0 0 "[ . 1 . 2]" 2
1841 2 44 LEU MD2 2 45 ARG H 5.150 . 5.150 3.806 3.368 4.189 . 0 0 "[ . 1 . 2]" 2
1842 2 44 LEU H 2 44 LEU MD2 4.680 . 4.680 4.402 3.919 4.743 0.063 13 0 "[ . 1 . 2]" 2
1843 2 10 VAL H 2 10 VAL MG1 3.740 . 3.740 2.525 2.343 2.673 . 0 0 "[ . 1 . 2]" 2
1844 2 10 VAL MG1 2 11 THR H 3.430 . 3.430 3.555 3.503 3.629 0.199 16 0 "[ . 1 . 2]" 2
1845 2 10 VAL HA 2 10 VAL MG1 3.210 . 3.210 3.203 3.195 3.209 . 0 0 "[ . 1 . 2]" 2
1846 2 10 VAL MG1 2 78 VAL HA 4.960 . 4.960 4.561 4.413 4.734 . 0 0 "[ . 1 . 2]" 2
1847 2 64 LEU H 2 64 LEU MD2 4.390 . 4.390 3.838 2.146 4.063 . 0 0 "[ . 1 . 2]" 2
1848 2 64 LEU MD2 2 65 HIS H 4.930 . 4.930 4.656 4.506 4.786 . 0 0 "[ . 1 . 2]" 2
1849 2 43 GLY H 2 64 LEU MD2 4.250 . 4.250 3.119 2.748 3.385 . 0 0 "[ . 1 . 2]" 2
1850 2 64 LEU MD2 2 71 TRP HH2 4.650 . 4.650 3.506 3.288 4.437 . 0 0 "[ . 1 . 2]" 2
1851 2 64 LEU HA 2 64 LEU MD2 4.190 . 4.190 3.649 2.656 3.780 . 0 0 "[ . 1 . 2]" 2
1852 2 43 GLY HA2 2 64 LEU MD2 4.430 . 4.430 2.661 2.214 3.469 . 0 0 "[ . 1 . 2]" 2
1853 2 8 ILE MD 2 64 LEU MD2 5.250 . 5.250 3.996 3.695 5.156 . 0 0 "[ . 1 . 2]" 2
1854 2 31 LEU MD1 2 35 THR H 3.840 . 3.840 3.570 3.465 3.675 . 0 0 "[ . 1 . 2]" 2
1855 2 31 LEU MD1 2 42 CYS H 4.850 . 4.850 4.636 4.488 4.779 . 0 0 "[ . 1 . 2]" 2
1856 2 31 LEU MD1 2 33 THR H 5.370 . 5.370 5.261 5.167 5.356 . 0 0 "[ . 1 . 2]" 2
1857 2 31 LEU MD1 2 43 GLY H 3.600 . 3.600 3.235 2.925 3.614 0.014 8 0 "[ . 1 . 2]" 2
1858 2 31 LEU MD1 2 32 SER HA 4.620 . 4.620 4.632 4.567 4.676 0.056 6 0 "[ . 1 . 2]" 2
1859 2 31 LEU MD1 2 35 THR HB 4.920 . 4.920 4.925 4.828 4.962 0.042 10 0 "[ . 1 . 2]" 2
1860 2 31 LEU MD1 2 62 GLY HA3 4.520 . 4.520 4.221 3.507 4.423 . 0 0 "[ . 1 . 2]" 2
1861 2 31 LEU MD1 2 34 VAL HB 3.340 . 3.340 2.687 2.507 2.895 . 0 0 "[ . 1 . 2]" 2
1862 2 31 LEU HB2 2 31 LEU MD1 3.310 . 3.310 2.373 2.356 2.388 . 0 0 "[ . 1 . 2]" 2
1863 2 21 ILE H 2 21 ILE MD 4.100 . 4.100 3.769 3.670 3.890 . 0 0 "[ . 1 . 2]" 2
1864 2 21 ILE MD 2 38 PHE H 5.410 . 5.410 4.865 4.607 5.188 . 0 0 "[ . 1 . 2]" 2
1865 2 21 ILE MD 2 37 GLN H 5.170 . 5.170 4.916 4.685 5.199 0.029 7 0 "[ . 1 . 2]" 2
1866 2 20 GLU HA 2 21 ILE MD 4.930 . 4.930 4.754 4.687 4.831 . 0 0 "[ . 1 . 2]" 2
1867 2 21 ILE HA 2 21 ILE MD 4.040 . 4.040 3.992 3.964 4.043 0.003 10 0 "[ . 1 . 2]" 2
1868 2 21 ILE MD 2 34 VAL HA 3.110 . 3.110 2.010 1.937 2.076 . 0 0 "[ . 1 . 2]" 2
1869 2 21 ILE MD 2 34 VAL HB 4.290 . 4.290 4.172 3.986 4.292 0.002 1 0 "[ . 1 . 2]" 2
1870 2 21 ILE MD 2 29 VAL MG2 3.760 . 3.760 3.481 3.285 3.626 . 0 0 "[ . 1 . 2]" 2
1871 2 8 ILE HG12 2 21 ILE MD 3.790 . 3.790 3.626 3.512 3.704 . 0 0 "[ . 1 . 2]" 2
1872 2 8 ILE MD 2 21 ILE MD 3.750 . 3.750 2.223 2.115 2.335 . 0 0 "[ . 1 . 2]" 2
1873 2 20 GLU H 2 21 ILE MG 5.500 . 5.500 5.557 5.277 5.680 0.180 12 0 "[ . 1 . 2]" 2
1874 2 21 ILE MG 2 34 VAL H 4.260 . 4.260 3.552 3.256 3.861 . 0 0 "[ . 1 . 2]" 2
1875 2 21 ILE MG 2 37 GLN H 4.780 . 4.780 4.510 4.273 4.852 0.072 2 0 "[ . 1 . 2]" 2
1876 2 20 GLU HA 2 21 ILE MG 5.370 . 5.370 5.215 5.185 5.247 . 0 0 "[ . 1 . 2]" 2
1877 2 21 ILE MG 2 34 VAL HA 3.120 . 3.120 2.422 2.284 2.610 . 0 0 "[ . 1 . 2]" 2
1878 2 21 ILE MG 2 22 PRO QG 3.640 . 3.640 3.385 3.241 3.571 . 0 0 "[ . 1 . 2]" 2
1879 2 8 ILE HG12 2 21 ILE MG 4.210 . 4.210 4.024 3.843 4.253 0.043 10 0 "[ . 1 . 2]" 2
1880 2 8 ILE MD 2 21 ILE MG 3.950 . 3.950 3.431 3.204 3.744 . 0 0 "[ . 1 . 2]" 2
1881 2 28 THR MG 2 71 TRP HE1 5.000 . 5.000 5.030 4.947 5.079 0.079 1 0 "[ . 1 . 2]" 2
1882 2 77 VAL H 2 77 VAL QG 3.310 . 3.310 2.627 2.468 2.936 . 0 0 "[ . 1 . 2]" 2
1883 2 76 TYR H 2 77 VAL QG 4.830 . 4.830 4.579 4.501 4.668 . 0 0 "[ . 1 . 2]" 2
1884 2 11 THR H 2 77 VAL QG 3.990 . 3.990 3.799 3.470 3.994 0.004 2 0 "[ . 1 . 2]" 2
1885 2 28 THR MG 2 71 TRP HZ2 3.810 . 3.810 3.884 3.810 3.936 0.126 8 0 "[ . 1 . 2]" 2
1886 2 10 VAL HA 2 77 VAL QG 5.150 . 5.150 4.911 4.663 5.021 . 0 0 "[ . 1 . 2]" 2
1887 2 77 VAL HA 2 77 VAL QG 2.960 . 2.960 2.145 2.136 2.151 . 0 0 "[ . 1 . 2]" 2
1888 2 77 VAL QG 2 78 VAL MG1 3.670 . 3.670 3.204 3.076 3.326 . 0 0 "[ . 1 . 2]" 2
1889 2 28 THR MG 2 66 ALA MB 4.620 . 4.620 4.505 4.409 4.626 0.006 8 0 "[ . 1 . 2]" 2
1890 2 73 ASN H 2 74 LEU MD1 4.930 . 4.930 4.692 4.289 4.948 0.018 2 0 "[ . 1 . 2]" 2
1891 2 71 TRP HB3 2 74 LEU MD1 4.820 . 4.820 2.772 2.394 3.347 . 0 0 "[ . 1 . 2]" 2
1892 2 60 VAL MG2 2 61 GLU H 3.820 . 3.820 3.140 2.920 3.356 . 0 0 "[ . 1 . 2]" 2
1893 2 60 VAL MG2 2 63 ILE H 4.420 . 4.420 4.386 4.274 4.462 0.042 11 0 "[ . 1 . 2]" 2
1894 2 60 VAL HA 2 60 VAL MG2 3.260 . 3.260 2.424 2.384 2.451 . 0 0 "[ . 1 . 2]" 2
1895 2 10 VAL MG2 2 77 VAL H 4.230 . 4.230 3.339 3.207 3.510 . 0 0 "[ . 1 . 2]" 2
1896 2 75 VAL H 2 75 VAL MG2 3.400 . 3.400 1.865 1.830 1.910 . 0 0 "[ . 1 . 2]" 2
1897 2 10 VAL HA 2 10 VAL MG2 3.130 . 3.130 2.363 2.341 2.393 . 0 0 "[ . 1 . 2]" 2
1898 2 10 VAL MG2 2 11 THR HA 3.790 . 3.790 3.371 3.267 3.560 . 0 0 "[ . 1 . 2]" 2
1899 2 10 VAL MG2 2 77 VAL HA 3.110 . 3.110 2.868 2.658 3.107 . 0 0 "[ . 1 . 2]" 2
1900 2 19 ILE MD 2 21 ILE H 4.460 . 4.460 3.358 3.099 3.584 . 0 0 "[ . 1 . 2]" 2
1901 2 19 ILE MD 2 20 GLU H 3.610 . 3.610 2.731 2.574 2.857 . 0 0 "[ . 1 . 2]" 2
1902 2 10 VAL HA 2 19 ILE MD 5.500 . 5.500 5.126 4.892 5.372 . 0 0 "[ . 1 . 2]" 2
1903 2 11 THR HA 2 19 ILE MD 4.850 . 4.850 4.492 4.225 4.763 . 0 0 "[ . 1 . 2]" 2
1904 2 19 ILE HB 2 19 ILE MD 2.900 . 2.900 2.269 2.238 2.323 . 0 0 "[ . 1 . 2]" 2
1905 2 19 ILE MD 2 19 ILE MG 3.270 . 3.270 3.118 3.047 3.184 . 0 0 "[ . 1 . 2]" 2
1906 2 44 LEU MD1 2 45 ARG H 5.150 . 5.150 4.465 3.923 4.872 . 0 0 "[ . 1 . 2]" 2
1907 2 44 LEU H 2 44 LEU MD1 4.680 . 4.680 3.778 3.262 4.380 . 0 0 "[ . 1 . 2]" 2
1908 2 44 LEU HA 2 44 LEU MD1 4.010 . 4.010 3.140 2.292 3.961 . 0 0 "[ . 1 . 2]" 2
1909 2 8 ILE HG13 2 21 ILE H 5.220 . 5.220 2.624 2.471 2.791 . 0 0 "[ . 1 . 2]" 2
1910 2 8 ILE H 2 8 ILE HG13 4.310 . 4.310 3.109 3.032 3.180 . 0 0 "[ . 1 . 2]" 2
1911 2 34 VAL QG 2 35 THR H 3.890 . 3.890 3.075 3.044 3.110 . 0 0 "[ . 1 . 2]" 2
1912 2 34 VAL HA 2 34 VAL QG 3.240 . 3.240 2.145 2.141 2.153 . 0 0 "[ . 1 . 2]" 2
1913 2 30 LEU HB2 2 30 LEU MD1 3.260 . 3.260 2.353 2.268 2.485 . 0 0 "[ . 1 . 2]" 2
1914 2 63 ILE MD 2 64 LEU H 4.090 . 4.090 3.678 3.584 3.784 . 0 0 "[ . 1 . 2]" 2
1915 2 31 LEU H 2 63 ILE MD 4.400 . 4.400 2.847 2.678 3.128 . 0 0 "[ . 1 . 2]" 2
1916 2 29 VAL H 2 63 ILE MD 5.120 . 5.120 4.545 4.392 4.800 . 0 0 "[ . 1 . 2]" 2
1917 2 63 ILE MD 2 65 HIS HD2 5.190 . 5.190 5.140 4.888 5.270 0.080 8 0 "[ . 1 . 2]" 2
1918 2 28 THR HB 2 63 ILE MD 4.530 . 4.530 3.787 3.441 4.250 . 0 0 "[ . 1 . 2]" 2
1919 2 63 ILE HB 2 63 ILE MD 3.240 . 3.240 3.225 3.213 3.230 . 0 0 "[ . 1 . 2]" 2
1920 2 30 LEU HB2 2 63 ILE MD 3.730 . 3.730 3.072 2.881 3.400 . 0 0 "[ . 1 . 2]" 2
1921 2 63 ILE MD 2 63 ILE MG 2.710 . 2.710 1.899 1.852 1.944 . 0 0 "[ . 1 . 2]" 2
1922 2 71 TRP HZ3 2 74 LEU MD2 3.150 . 3.150 2.894 2.660 3.117 . 0 0 "[ . 1 . 2]" 2
1923 2 74 LEU HB3 2 74 LEU MD2 3.010 . 3.010 2.150 2.120 2.169 . 0 0 "[ . 1 . 2]" 2
1924 2 50 VAL MG2 2 51 SER H 4.040 . 4.040 3.832 3.735 3.958 . 0 0 "[ . 1 . 2]" 2
1925 2 64 LEU H 2 64 LEU MD1 4.390 . 4.390 2.271 2.061 3.843 . 0 0 "[ . 1 . 2]" 2
1926 2 31 LEU H 2 31 LEU MD2 4.600 . 4.600 4.257 4.240 4.280 . 0 0 "[ . 1 . 2]" 2
1927 2 31 LEU MD2 2 32 SER H 4.900 . 4.900 4.191 4.125 4.239 . 0 0 "[ . 1 . 2]" 2
1928 2 64 LEU MD1 2 65 HIS H 4.930 . 4.930 4.543 3.318 4.714 . 0 0 "[ . 1 . 2]" 2
1929 2 43 GLY H 2 64 LEU MD1 4.250 . 4.250 2.892 2.544 3.306 . 0 0 "[ . 1 . 2]" 2
1930 2 64 LEU MD1 2 71 TRP HH2 4.650 . 4.650 4.236 3.717 4.354 . 0 0 "[ . 1 . 2]" 2
1931 2 64 LEU HA 2 64 LEU MD1 4.190 . 4.190 2.822 2.063 2.940 . 0 0 "[ . 1 . 2]" 2
1932 2 43 GLY HA2 2 64 LEU MD1 4.430 . 4.430 3.261 2.073 3.572 . 0 0 "[ . 1 . 2]" 2
1933 2 31 LEU HA 2 31 LEU MD2 4.160 . 4.160 3.888 3.867 3.903 . 0 0 "[ . 1 . 2]" 2
1934 2 43 GLY HA3 2 64 LEU MD1 4.800 . 4.800 4.620 3.664 4.871 0.071 5 0 "[ . 1 . 2]" 2
1935 2 31 LEU MD2 2 62 GLY HA3 3.940 . 3.940 2.848 2.401 3.040 . 0 0 "[ . 1 . 2]" 2
1936 2 31 LEU HB2 2 31 LEU MD2 3.200 . 3.200 2.380 2.361 2.400 . 0 0 "[ . 1 . 2]" 2
1937 2 8 ILE MD 2 64 LEU MD1 5.250 . 5.250 5.100 4.954 5.291 0.041 5 0 "[ . 1 . 2]" 2
1938 2 60 VAL H 2 60 VAL MG1 3.550 . 3.550 2.405 2.288 2.496 . 0 0 "[ . 1 . 2]" 2
1939 2 60 VAL HA 2 60 VAL MG1 3.260 . 3.260 3.220 3.209 3.227 . 0 0 "[ . 1 . 2]" 2
1940 2 50 VAL HA 2 50 VAL MG2 2.670 . 2.670 2.343 2.297 2.394 . 0 0 "[ . 1 . 2]" 2
1941 2 11 THR H 2 11 THR MG 3.210 . 3.210 2.554 2.387 2.688 . 0 0 "[ . 1 . 2]" 2
1942 2 11 THR MG 2 12 GLU H 3.690 . 3.690 3.022 2.690 3.275 . 0 0 "[ . 1 . 2]" 2
1943 2 50 VAL H 2 50 VAL MG2 3.140 . 3.140 2.241 2.122 2.419 . 0 0 "[ . 1 . 2]" 2
1944 2 10 VAL HA 2 11 THR MG 3.770 . 3.770 3.552 3.456 3.668 . 0 0 "[ . 1 . 2]" 2
1945 2 11 THR HA 2 11 THR MG 3.510 . 3.510 3.225 3.220 3.228 . 0 0 "[ . 1 . 2]" 2
1946 2 19 ILE H 2 19 ILE MG 3.360 . 3.360 2.432 2.199 2.609 . 0 0 "[ . 1 . 2]" 2
1947 2 12 GLU H 2 19 ILE MG 5.430 . 5.430 5.366 5.131 5.541 0.111 4 0 "[ . 1 . 2]" 2
1948 2 19 ILE HA 2 19 ILE MG 2.910 . 2.910 2.377 2.326 2.404 . 0 0 "[ . 1 . 2]" 2
1949 2 19 ILE HG12 2 19 ILE MG 2.860 . 2.860 2.159 2.141 2.193 . 0 0 "[ . 1 . 2]" 2
1950 2 19 ILE MG 2 78 VAL MG1 5.500 . 5.500 5.550 5.358 5.633 0.133 16 0 "[ . 1 . 2]" 2
1951 2 50 VAL MG1 2 51 SER H 3.680 . 3.680 3.153 2.968 3.400 . 0 0 "[ . 1 . 2]" 2
1952 2 50 VAL HA 2 50 VAL MG1 2.740 . 2.740 2.452 2.381 2.517 . 0 0 "[ . 1 . 2]" 2
1953 2 48 ASN HB3 2 50 VAL MG1 5.180 . 5.180 5.290 5.017 5.400 0.220 9 0 "[ . 1 . 2]" 2
1954 2 59 LEU MD2 2 60 VAL H 4.250 . 4.250 4.243 4.128 4.315 0.065 3 0 "[ . 1 . 2]" 2
1955 2 59 LEU MD2 2 62 GLY H 3.850 . 3.850 3.304 2.880 3.544 . 0 0 "[ . 1 . 2]" 2
1956 2 59 LEU H 2 59 LEU MD2 5.340 . 5.340 4.562 4.462 4.648 . 0 0 "[ . 1 . 2]" 2
1957 2 59 LEU HA 2 59 LEU MD2 3.870 . 3.870 3.872 3.847 3.894 0.024 15 0 "[ . 1 . 2]" 2
1958 2 59 LEU MD2 2 62 GLY HA3 4.730 . 4.730 4.736 4.497 4.862 0.132 8 0 "[ . 1 . 2]" 2
1959 2 74 LEU HB2 2 75 VAL H 4.240 . 4.240 4.216 4.151 4.262 0.022 5 0 "[ . 1 . 2]" 2
1960 2 31 LEU H 2 63 ILE HG13 5.500 . 5.500 5.679 5.601 5.790 0.290 5 0 "[ . 1 . 2]" 2
1961 2 63 ILE H 2 63 ILE HG13 4.040 . 4.040 3.810 3.648 3.891 . 0 0 "[ . 1 . 2]" 2
1962 2 63 ILE HA 2 63 ILE HG13 4.060 . 4.060 3.729 3.711 3.756 . 0 0 "[ . 1 . 2]" 2
1963 2 62 GLY HA3 2 63 ILE HG13 5.500 . 5.500 5.593 5.542 5.645 0.145 2 0 "[ . 1 . 2]" 2
1964 2 31 LEU HB3 2 32 SER HA 5.120 . 5.120 4.270 4.225 4.327 . 0 0 "[ . 1 . 2]" 2
1965 2 21 ILE H 2 21 ILE HG12 4.040 . 4.040 3.186 2.994 3.424 . 0 0 "[ . 1 . 2]" 2
1966 2 20 GLU HA 2 21 ILE HG12 4.970 . 4.970 4.122 4.016 4.261 . 0 0 "[ . 1 . 2]" 2
1967 2 21 ILE HA 2 21 ILE HG12 4.140 . 4.140 2.936 2.857 3.063 . 0 0 "[ . 1 . 2]" 2
1968 2 21 ILE HG12 2 21 ILE MG 3.070 . 3.070 2.360 2.320 2.389 . 0 0 "[ . 1 . 2]" 2
1969 2 21 ILE HG12 2 29 VAL MG2 5.500 . 5.500 5.462 5.091 5.594 0.094 10 0 "[ . 1 . 2]" 2
1970 2 8 ILE HG12 2 21 ILE HG12 4.660 . 4.660 4.615 4.391 4.686 0.026 10 0 "[ . 1 . 2]" 2
1971 2 8 ILE MD 2 21 ILE HG12 4.960 . 4.960 4.306 4.199 4.400 . 0 0 "[ . 1 . 2]" 2
1972 2 8 ILE HB 2 21 ILE H 4.880 . 4.880 4.493 4.399 4.584 . 0 0 "[ . 1 . 2]" 2
1973 2 8 ILE HB 2 9 ARG H 3.690 . 3.690 3.213 3.024 3.450 . 0 0 "[ . 1 . 2]" 2
1974 2 8 ILE HB 2 71 TRP HB3 5.230 . 5.230 3.317 3.100 3.544 . 0 0 "[ . 1 . 2]" 2
1975 2 8 ILE HB 2 9 ARG HB2 5.500 . 5.500 5.369 5.095 5.640 0.140 7 0 "[ . 1 . 2]" 2
1976 2 8 ILE HB 2 20 GLU QG 5.500 . 5.500 5.405 5.064 5.584 0.084 13 0 "[ . 1 . 2]" 2
1977 2 8 ILE HB 2 21 ILE HB 5.500 . 5.500 5.060 4.853 5.328 . 0 0 "[ . 1 . 2]" 2
1978 2 8 ILE HB 2 29 VAL MG2 4.990 . 4.990 4.951 4.772 5.050 0.060 11 0 "[ . 1 . 2]" 2
1979 2 57 VAL MG2 2 58 ARG H 4.110 . 4.110 3.492 3.390 3.621 . 0 0 "[ . 1 . 2]" 2
1980 2 44 LEU H 2 57 VAL MG2 4.300 . 4.300 2.021 1.771 2.402 0.029 3 0 "[ . 1 . 2]" 2
1981 2 45 ARG HA 2 57 VAL MG2 4.960 . 4.960 4.270 3.890 4.644 . 0 0 "[ . 1 . 2]" 2
1982 2 44 LEU HA 2 57 VAL MG2 5.260 . 5.260 3.920 3.771 4.076 . 0 0 "[ . 1 . 2]" 2
1983 2 35 THR H 2 41 ALA MB 5.470 . 5.470 5.369 5.099 5.471 0.001 18 0 "[ . 1 . 2]" 2
1984 2 40 GLY H 2 41 ALA MB 4.250 . 4.250 3.832 3.798 3.869 . 0 0 "[ . 1 . 2]" 2
1985 2 38 PHE H 2 41 ALA MB 4.760 . 4.760 4.281 4.149 4.397 . 0 0 "[ . 1 . 2]" 2
1986 2 41 ALA MB 2 79 ASN H 4.330 . 4.330 3.834 3.710 3.979 . 0 0 "[ . 1 . 2]" 2
1987 2 41 ALA MB 2 80 TYR QE 3.900 . 3.900 2.494 2.299 2.687 . 0 0 "[ . 1 . 2]" 2
1988 2 41 ALA MB 2 80 TYR HA 4.210 . 4.210 3.080 2.898 3.236 . 0 0 "[ . 1 . 2]" 2
1989 2 38 PHE HA 2 41 ALA MB 4.530 . 4.530 4.109 4.037 4.167 . 0 0 "[ . 1 . 2]" 2
1990 2 41 ALA MB 2 42 CYS HA 4.800 . 4.800 3.948 3.885 4.009 . 0 0 "[ . 1 . 2]" 2
1991 2 34 VAL QG 2 41 ALA MB 2.910 . 2.910 2.688 2.489 2.810 . 0 0 "[ . 1 . 2]" 2
1992 2 41 ALA MB 2 78 VAL MG2 2.930 . 2.930 1.933 1.835 2.024 . 0 0 "[ . 1 . 2]" 2
1993 2 33 THR H 2 33 THR MG 3.870 . 3.870 3.703 3.662 3.748 . 0 0 "[ . 1 . 2]" 2
1994 2 33 THR MG 2 34 VAL H 4.060 . 4.060 3.931 3.890 3.999 . 0 0 "[ . 1 . 2]" 2
1995 2 21 ILE HA 2 33 THR MG 3.900 . 3.900 3.621 3.077 3.984 0.084 10 0 "[ . 1 . 2]" 2
1996 2 33 THR HA 2 33 THR MG 3.020 . 3.020 2.253 2.217 2.294 . 0 0 "[ . 1 . 2]" 2
1997 2 22 PRO QG 2 33 THR MG 3.390 . 3.390 2.336 2.064 2.899 . 0 0 "[ . 1 . 2]" 2
1998 2 21 ILE HB 2 33 THR MG 4.150 . 4.150 3.879 3.667 3.979 . 0 0 "[ . 1 . 2]" 2
1999 2 21 ILE MG 2 33 THR MG 2.660 . 2.660 1.822 1.779 1.858 0.021 6 0 "[ . 1 . 2]" 2
2000 2 8 ILE MD 2 33 THR MG 4.820 . 4.820 4.915 4.804 5.031 0.211 2 0 "[ . 1 . 2]" 2
2001 2 20 GLU HA 2 21 ILE HG13 4.800 . 4.800 3.310 3.221 3.442 . 0 0 "[ . 1 . 2]" 2
2002 2 21 ILE HG13 2 21 ILE MG 3.360 . 3.360 3.183 3.174 3.193 . 0 0 "[ . 1 . 2]" 2
2003 2 8 ILE HG12 2 21 ILE HG13 4.380 . 4.380 3.214 2.978 3.333 . 0 0 "[ . 1 . 2]" 2
2004 2 8 ILE MD 2 21 ILE HG13 4.640 . 4.640 3.251 3.085 3.376 . 0 0 "[ . 1 . 2]" 2
2005 2 57 VAL MG1 2 58 ARG H 4.110 . 4.110 3.853 3.750 3.929 . 0 0 "[ . 1 . 2]" 2
2006 2 44 LEU H 2 57 VAL MG1 4.300 . 4.300 3.807 3.533 4.298 . 0 0 "[ . 1 . 2]" 2
2007 2 45 ARG HA 2 57 VAL MG1 4.960 . 4.960 2.999 2.566 3.689 . 0 0 "[ . 1 . 2]" 2
2008 2 11 THR H 2 78 VAL HB 4.510 . 4.510 4.142 3.951 4.476 . 0 0 "[ . 1 . 2]" 2
2009 2 38 PHE HZ 2 78 VAL HB 4.890 . 4.890 3.184 3.086 3.246 . 0 0 "[ . 1 . 2]" 2
2010 2 77 VAL HA 2 78 VAL HB 4.730 . 4.730 4.552 4.443 4.618 . 0 0 "[ . 1 . 2]" 2
2011 2 45 ARG H 2 45 ARG QG 5.040 . 5.040 3.043 2.504 4.335 . 0 0 "[ . 1 . 2]" 2
2012 2 19 ILE H 2 19 ILE HG12 3.650 . 3.650 3.374 3.226 3.566 . 0 0 "[ . 1 . 2]" 2
2013 2 19 ILE HG12 2 20 GLU H 4.700 . 4.700 4.532 4.306 4.704 0.004 15 0 "[ . 1 . 2]" 2
2014 2 19 ILE HG12 2 78 VAL MG1 5.350 . 5.350 5.002 4.773 5.175 . 0 0 "[ . 1 . 2]" 2
2015 2 35 THR MG 2 40 GLY H 3.670 . 3.670 3.001 2.577 3.345 . 0 0 "[ . 1 . 2]" 2
2016 2 35 THR MG 2 41 ALA H 3.420 . 3.420 3.131 2.809 3.341 . 0 0 "[ . 1 . 2]" 2
2017 2 35 THR MG 2 36 ALA H 4.140 . 4.140 4.141 4.109 4.180 0.040 12 0 "[ . 1 . 2]" 2
2018 2 35 THR HA 2 35 THR MG 2.920 . 2.920 2.288 2.262 2.312 . 0 0 "[ . 1 . 2]" 2
2019 2 31 LEU HA 2 35 THR MG 4.070 . 4.070 4.059 3.926 4.101 0.031 18 0 "[ . 1 . 2]" 2
2020 2 35 THR MG 2 40 GLY HA2 3.760 . 3.760 2.384 2.179 2.716 . 0 0 "[ . 1 . 2]" 2
2021 2 34 VAL HB 2 35 THR MG 3.580 . 3.580 3.075 3.020 3.125 . 0 0 "[ . 1 . 2]" 2
2022 2 31 LEU HG 2 35 THR MG 3.070 . 3.070 2.641 2.403 2.797 . 0 0 "[ . 1 . 2]" 2
2023 2 31 LEU MD1 2 35 THR MG 2.920 . 2.920 2.351 2.274 2.400 . 0 0 "[ . 1 . 2]" 2
2024 2 68 ASP H 2 69 ALA MB 4.290 . 4.290 4.311 4.197 4.381 0.091 9 0 "[ . 1 . 2]" 2
2025 2 69 ALA H 2 69 ALA MB 2.640 . 2.640 2.266 2.237 2.316 . 0 0 "[ . 1 . 2]" 2
2026 2 69 ALA MB 2 70 GLY HA2 4.680 . 4.680 4.659 4.466 4.807 0.127 17 0 "[ . 1 . 2]" 2
2027 2 68 ASP HB3 2 69 ALA MB 4.190 . 4.190 3.847 3.728 4.195 0.005 6 0 "[ . 1 . 2]" 2
2028 2 67 PRO HB2 2 69 ALA MB 3.690 . 3.690 3.331 2.900 3.756 0.066 7 0 "[ . 1 . 2]" 2
2029 2 66 ALA MB 2 69 ALA MB 5.120 . 5.120 5.112 5.000 5.212 0.092 6 0 "[ . 1 . 2]" 2
2030 2 44 LEU HG 2 45 ARG H 5.080 . 5.080 3.989 2.839 5.089 0.009 17 0 "[ . 1 . 2]" 2
2031 2 74 LEU HB3 2 75 VAL H 4.320 . 4.320 4.345 4.254 4.428 0.108 18 0 "[ . 1 . 2]" 2
2032 2 35 THR H 2 36 ALA MB 4.390 . 4.390 4.196 4.156 4.238 . 0 0 "[ . 1 . 2]" 2
2033 2 34 VAL HA 2 36 ALA MB 4.630 . 4.630 4.420 4.231 4.574 . 0 0 "[ . 1 . 2]" 2
2034 2 9 ARG HB3 2 75 VAL HA 5.500 . 5.500 5.252 4.346 5.625 0.125 20 0 "[ . 1 . 2]" 2
2035 2 19 ILE HG13 2 20 GLU H 4.030 . 4.030 4.117 4.036 4.176 0.146 3 0 "[ . 1 . 2]" 2
2036 2 19 ILE HG13 2 38 PHE HZ 3.670 . 3.670 2.696 2.501 2.810 . 0 0 "[ . 1 . 2]" 2
2037 2 18 PRO HA 2 19 ILE HG13 4.470 . 4.470 4.051 3.877 4.181 . 0 0 "[ . 1 . 2]" 2
2038 2 11 THR HB 2 19 ILE HG13 4.860 . 4.860 4.048 3.428 4.698 . 0 0 "[ . 1 . 2]" 2
2039 2 19 ILE HG13 2 78 VAL MG1 5.420 . 5.420 5.076 4.913 5.220 . 0 0 "[ . 1 . 2]" 2
2040 2 29 VAL HB 2 64 LEU H 4.550 . 4.550 4.162 3.991 4.274 . 0 0 "[ . 1 . 2]" 2
2041 2 29 VAL HB 2 71 TRP HZ2 4.490 . 4.490 2.747 2.641 2.981 . 0 0 "[ . 1 . 2]" 2
2042 2 29 VAL HB 2 71 TRP HH2 4.680 . 4.680 2.766 2.461 3.005 . 0 0 "[ . 1 . 2]" 2
2043 2 29 VAL HB 2 64 LEU HA 5.460 . 5.460 5.430 5.050 5.567 0.107 20 0 "[ . 1 . 2]" 2
2044 2 28 THR HA 2 29 VAL HB 5.020 . 5.020 4.141 4.091 4.210 . 0 0 "[ . 1 . 2]" 2
2045 2 8 ILE MG 2 29 VAL HB 4.900 . 4.900 4.787 4.628 4.939 0.039 8 0 "[ . 1 . 2]" 2
2046 2 31 LEU H 2 63 ILE HG12 4.370 . 4.370 4.410 4.368 4.454 0.084 12 0 "[ . 1 . 2]" 2
2047 2 62 GLY HA3 2 63 ILE HG12 4.710 . 4.710 3.848 3.795 3.894 . 0 0 "[ . 1 . 2]" 2
2048 2 30 LEU H 2 30 LEU HG 4.470 . 4.470 4.382 4.298 4.474 0.004 5 0 "[ . 1 . 2]" 2
2049 2 30 LEU HG 2 33 THR H 4.750 . 4.750 2.594 2.398 2.860 . 0 0 "[ . 1 . 2]" 2
2050 2 71 TRP HA 2 74 LEU HG 3.720 . 3.720 2.127 1.977 2.383 . 0 0 "[ . 1 . 2]" 2
2051 2 21 ILE H 2 21 ILE HB 3.940 . 3.940 3.024 2.933 3.152 . 0 0 "[ . 1 . 2]" 2
2052 2 8 ILE H 2 21 ILE HB 4.560 . 4.560 3.900 3.703 4.150 . 0 0 "[ . 1 . 2]" 2
2053 2 20 GLU HA 2 21 ILE HB 5.500 . 5.500 5.022 4.898 5.240 . 0 0 "[ . 1 . 2]" 2
2054 2 21 ILE HB 2 22 PRO HA 5.440 . 5.440 4.929 4.812 5.006 . 0 0 "[ . 1 . 2]" 2
2055 2 21 ILE HB 2 22 PRO QG 5.120 . 5.120 5.121 4.955 5.290 0.170 8 0 "[ . 1 . 2]" 2
2056 2 21 ILE HB 2 29 VAL MG2 5.060 . 5.060 3.142 2.817 3.275 . 0 0 "[ . 1 . 2]" 2
2057 2 8 ILE HG12 2 21 ILE HB 4.060 . 4.060 2.408 2.195 2.666 . 0 0 "[ . 1 . 2]" 2
2058 2 8 ILE MD 2 21 ILE HB 4.330 . 4.330 2.314 2.127 2.620 . 0 0 "[ . 1 . 2]" 2
2059 2 46 TYR H 2 77 VAL HB 5.500 . 5.500 5.027 4.314 5.521 0.021 9 0 "[ . 1 . 2]" 2
2060 2 47 ARG H 2 77 VAL HB 5.500 . 5.500 5.116 4.641 5.536 0.036 16 0 "[ . 1 . 2]" 2
2061 2 77 VAL HB 2 78 VAL MG1 5.360 . 5.360 5.300 5.212 5.390 0.030 11 0 "[ . 1 . 2]" 2
2062 2 82 LYS QD 2 83 ASP H 4.590 . 4.590 2.960 2.145 4.682 0.092 16 0 "[ . 1 . 2]" 2
2063 2 37 GLN QB 2 38 PHE HA 5.070 . 5.070 4.002 3.833 4.398 . 0 0 "[ . 1 . 2]" 2
2064 2 82 LYS HA 2 82 LYS QD 4.050 . 4.050 3.774 3.601 4.195 0.145 16 0 "[ . 1 . 2]" 2
2065 2 31 LEU HG 2 42 CYS HA 5.500 . 5.500 5.132 4.925 5.386 . 0 0 "[ . 1 . 2]" 2
2066 2 66 ALA MB 2 67 PRO HB2 5.210 . 5.210 4.879 4.611 5.200 . 0 0 "[ . 1 . 2]" 2
2067 2 10 VAL H 2 10 VAL HB 3.650 . 3.650 3.383 3.253 3.455 . 0 0 "[ . 1 . 2]" 2
2068 2 82 LYS HB3 2 83 ASP H 4.110 . 4.110 4.181 3.544 4.323 0.213 20 0 "[ . 1 . 2]" 2
2069 2 75 VAL H 2 75 VAL HB 3.720 . 3.720 3.608 3.589 3.619 . 0 0 "[ . 1 . 2]" 2
2070 2 20 GLU H 2 20 GLU QG 4.270 . 4.270 3.468 3.216 4.143 . 0 0 "[ . 1 . 2]" 2
2071 2 18 PRO HB2 2 19 ILE H 4.320 . 4.320 3.620 2.882 4.107 . 0 0 "[ . 1 . 2]" 2
2072 2 82 LYS HB2 2 83 ASP H 4.110 . 4.110 3.968 2.105 4.172 0.062 10 0 "[ . 1 . 2]" 2
2073 2 6 GLU H 2 6 GLU HB2 3.470 . 3.470 3.130 2.736 3.384 . 0 0 "[ . 1 . 2]" 2
2074 2 20 GLU H 2 20 GLU HB2 4.140 . 4.140 2.702 2.596 3.063 . 0 0 "[ . 1 . 2]" 2
2075 2 6 GLU HB2 2 71 TRP HD1 5.180 . 5.180 4.404 4.027 4.845 . 0 0 "[ . 1 . 2]" 2
2076 2 6 GLU HB2 2 8 ILE MG 5.500 . 5.500 5.081 4.913 5.230 . 0 0 "[ . 1 . 2]" 2
2077 2 22 PRO QG 2 23 SER H 4.970 . 4.970 4.804 4.765 4.854 . 0 0 "[ . 1 . 2]" 2
2078 2 66 ALA HA 2 71 TRP H 5.500 . 5.500 5.532 5.281 5.645 0.145 13 0 "[ . 1 . 2]" 2
2079 2 66 ALA HA 2 70 GLY H 5.370 . 5.370 5.157 4.963 5.325 . 0 0 "[ . 1 . 2]" 2
2080 2 66 ALA HA 2 71 TRP HH2 4.830 . 4.830 4.125 3.979 4.261 . 0 0 "[ . 1 . 2]" 2
2081 2 65 HIS HA 2 66 ALA HA 4.760 . 4.760 4.377 4.341 4.403 . 0 0 "[ . 1 . 2]" 2
2082 2 66 ALA HA 2 67 PRO HD3 3.510 . 3.510 2.103 1.874 2.409 . 0 0 "[ . 1 . 2]" 2
2083 2 66 ALA HA 2 67 PRO HD2 3.600 . 3.600 2.626 2.282 2.966 . 0 0 "[ . 1 . 2]" 2
2084 2 66 ALA HA 2 74 LEU MD1 4.930 . 4.930 4.698 4.618 4.782 . 0 0 "[ . 1 . 2]" 2
2085 2 31 LEU HB2 2 62 GLY HA2 5.130 . 5.130 2.516 2.216 2.783 . 0 0 "[ . 1 . 2]" 2
2086 2 18 PRO HB3 2 19 ILE H 4.320 . 4.320 3.833 3.355 4.314 . 0 0 "[ . 1 . 2]" 2
2087 2 19 ILE H 2 19 ILE HB 4.050 . 4.050 3.717 3.654 3.781 . 0 0 "[ . 1 . 2]" 2
2088 2 30 LEU HB2 2 31 LEU H 4.390 . 4.390 4.075 3.993 4.189 . 0 0 "[ . 1 . 2]" 2
2089 2 19 ILE HB 2 20 GLU H 3.230 . 3.230 2.234 2.030 2.364 . 0 0 "[ . 1 . 2]" 2
2090 2 30 LEU HB2 2 33 THR H 4.930 . 4.930 4.345 4.247 4.439 . 0 0 "[ . 1 . 2]" 2
2091 2 80 TYR HA 2 81 PRO HG3 4.450 . 4.450 4.270 3.932 4.425 . 0 0 "[ . 1 . 2]" 2
2092 2 17 GLU QB 2 18 PRO HD3 4.320 . 4.320 3.651 3.164 3.966 . 0 0 "[ . 1 . 2]" 2
2093 2 61 GLU HB3 2 62 GLY H 5.120 . 5.120 4.488 4.418 4.656 . 0 0 "[ . 1 . 2]" 2
2094 2 50 VAL HB 2 51 SER H 3.620 . 3.620 2.450 2.345 2.751 . 0 0 "[ . 1 . 2]" 2
2095 2 80 TYR HA 2 81 PRO HB3 5.280 . 5.280 4.894 4.718 5.355 0.075 19 0 "[ . 1 . 2]" 2
2096 2 48 ASN HB3 2 50 VAL HB 4.930 . 4.930 4.185 3.633 4.493 . 0 0 "[ . 1 . 2]" 2
2097 2 60 VAL HB 2 61 GLU H 4.560 . 4.560 4.357 4.275 4.455 . 0 0 "[ . 1 . 2]" 2
2098 2 59 LEU HA 2 60 VAL HB 4.650 . 4.650 4.636 4.601 4.663 0.013 2 0 "[ . 1 . 2]" 2
2099 2 42 CYS H 2 79 ASN HB3 4.960 . 4.960 4.122 4.001 4.269 . 0 0 "[ . 1 . 2]" 2
2100 2 43 GLY HA3 2 79 ASN HB3 4.970 . 4.970 3.810 3.516 4.026 . 0 0 "[ . 1 . 2]" 2
2101 2 78 VAL MG2 2 79 ASN HB3 4.670 . 4.670 4.502 4.403 4.689 0.019 20 0 "[ . 1 . 2]" 2
2102 2 6 GLU HB3 2 71 TRP HD1 4.220 . 4.220 3.502 3.221 3.780 . 0 0 "[ . 1 . 2]" 2
2103 2 6 GLU HB3 2 8 ILE MG 5.130 . 5.130 4.006 3.838 4.170 . 0 0 "[ . 1 . 2]" 2
2104 2 12 GLU H 2 12 GLU HB2 3.900 . 3.900 3.478 2.947 3.822 . 0 0 "[ . 1 . 2]" 2
2105 2 12 GLU HB2 2 13 ASP H 4.310 . 4.310 3.949 3.603 4.258 . 0 0 "[ . 1 . 2]" 2
2106 2 52 GLN HG2 2 53 CYS H 5.190 . 5.190 4.948 4.828 5.058 . 0 0 "[ . 1 . 2]" 2
2107 2 14 GLU H 2 14 GLU QG 3.630 . 3.630 2.295 1.712 2.653 0.088 2 0 "[ . 1 . 2]" 2
2108 2 13 ASP H 2 14 GLU QG 5.500 . 5.500 5.231 4.782 5.626 0.126 19 0 "[ . 1 . 2]" 2
2109 2 14 GLU QG 2 15 ASN HD21 5.500 . 5.500 4.916 2.678 5.597 0.097 16 0 "[ . 1 . 2]" 2
2110 2 13 ASP HA 2 14 GLU QG 4.440 . 4.440 3.834 3.291 4.265 . 0 0 "[ . 1 . 2]" 2
2111 2 14 GLU HA 2 14 GLU QG 3.520 . 3.520 2.656 2.324 3.325 . 0 0 "[ . 1 . 2]" 2
2112 2 61 GLU HB2 2 62 GLY H 5.120 . 5.120 4.211 4.113 4.513 . 0 0 "[ . 1 . 2]" 2
2113 2 12 GLU H 2 12 GLU HB3 3.900 . 3.900 2.833 2.440 3.190 . 0 0 "[ . 1 . 2]" 2
2114 2 6 GLU QG 2 24 GLU H 5.470 . 5.470 5.554 5.380 5.679 0.209 13 0 "[ . 1 . 2]" 2
2115 2 6 GLU QG 2 71 TRP H 4.560 . 4.560 4.194 3.668 4.603 0.043 6 0 "[ . 1 . 2]" 2
2116 2 6 GLU H 2 6 GLU QG 4.580 . 4.580 4.069 3.929 4.204 . 0 0 "[ . 1 . 2]" 2
2117 2 6 GLU QG 2 7 ARG H 4.930 . 4.930 3.606 2.546 4.036 . 0 0 "[ . 1 . 2]" 2
2118 2 6 GLU QG 2 8 ILE MD 5.350 . 5.350 4.924 4.651 5.108 . 0 0 "[ . 1 . 2]" 2
2119 2 52 GLN H 2 52 GLN HG3 4.530 . 4.530 4.552 4.459 4.594 0.064 10 0 "[ . 1 . 2]" 2
2120 2 52 GLN HE22 2 52 GLN HG3 4.040 . 4.040 4.042 4.031 4.051 0.011 15 0 "[ . 1 . 2]" 2
2121 2 52 GLN HA 2 52 GLN HG3 3.910 . 3.910 3.731 3.698 3.784 . 0 0 "[ . 1 . 2]" 2
2122 2 38 PHE HA 2 39 PRO HB3 4.900 . 4.900 4.846 4.767 5.160 0.260 12 0 "[ . 1 . 2]" 2
2123 2 79 ASN HB2 2 80 TYR H 4.490 . 4.490 4.172 3.673 4.449 . 0 0 "[ . 1 . 2]" 2
2124 1 37 GLN H 2 79 ASN HB2 5.500 . 5.500 5.548 5.130 5.913 0.413 6 0 "[ . 1 . 2]" 2
2125 2 78 VAL HA 2 79 ASN HB2 4.320 . 4.320 4.362 4.326 4.434 0.114 20 0 "[ . 1 . 2]" 2
2126 2 78 VAL MG2 2 79 ASN HB2 5.030 . 5.030 3.647 3.589 3.816 . 0 0 "[ . 1 . 2]" 2
2127 2 61 GLU H 2 61 GLU QG 3.510 . 3.510 2.782 2.638 3.437 . 0 0 "[ . 1 . 2]" 2
2128 2 61 GLU HA 2 61 GLU QG 3.530 . 3.530 2.663 2.406 3.375 . 0 0 "[ . 1 . 2]" 2
2129 2 60 VAL MG1 2 61 GLU QG 4.060 . 4.060 3.980 2.799 4.234 0.174 7 0 "[ . 1 . 2]" 2
2130 2 81 PRO HB2 2 82 LYS H 3.810 . 3.810 3.060 2.068 3.653 . 0 0 "[ . 1 . 2]" 2
2131 2 80 TYR HA 2 81 PRO HB2 5.500 . 5.500 5.439 5.106 5.515 0.015 7 0 "[ . 1 . 2]" 2
2132 2 81 PRO HB2 2 82 LYS QE 5.300 . 5.300 5.295 4.726 5.616 0.316 9 0 "[ . 1 . 2]" 2
2133 2 81 PRO HB2 2 83 ASP H 4.310 . 4.310 2.498 2.068 3.546 . 0 0 "[ . 1 . 2]" 2
2134 2 12 GLU QG 2 13 ASP H 4.500 . 4.500 2.939 2.092 3.988 . 0 0 "[ . 1 . 2]" 2
2135 2 12 GLU QG 2 78 VAL MG1 4.270 . 4.270 3.844 3.634 4.320 0.050 19 0 "[ . 1 . 2]" 2
2136 2 17 GLU QB 2 17 GLU QG 2.400 . 2.400 2.074 2.006 2.087 . 0 0 "[ . 1 . 2]" 2
2137 2 67 PRO HB3 2 68 ASP H 4.480 . 4.480 2.874 2.523 3.223 . 0 0 "[ . 1 . 2]" 2
2138 2 67 PRO HB3 2 69 ALA H 5.000 . 5.000 3.950 3.603 4.329 . 0 0 "[ . 1 . 2]" 2
2139 2 67 PRO HB3 2 68 ASP HB2 5.390 . 5.390 5.148 4.459 5.535 0.145 4 0 "[ . 1 . 2]" 2
2140 2 42 CYS H 2 80 TYR QB 5.440 . 5.440 5.066 4.723 5.354 . 0 0 "[ . 1 . 2]" 2
2141 2 80 TYR QB 2 81 PRO HA 5.320 . 5.320 4.477 4.396 4.607 . 0 0 "[ . 1 . 2]" 2
2142 2 46 TYR HB3 2 74 LEU HA 5.290 . 5.290 3.034 2.363 3.869 . 0 0 "[ . 1 . 2]" 2
2143 2 46 TYR HB3 2 74 LEU HB3 5.500 . 5.500 4.748 4.090 5.526 0.026 4 0 "[ . 1 . 2]" 2
2144 2 54 MET QB 2 54 MET ME 3.840 . 3.840 2.232 1.980 3.706 . 0 0 "[ . 1 . 2]" 2
2145 2 67 PRO HD2 2 71 TRP HZ3 5.500 . 5.500 5.395 4.933 5.651 0.151 1 0 "[ . 1 . 2]" 2
2146 2 67 PRO HD2 2 74 LEU H 5.500 . 5.500 5.470 5.269 5.565 0.065 4 0 "[ . 1 . 2]" 2
2147 2 67 PRO HD2 2 70 GLY HA3 5.500 . 5.500 4.684 4.311 4.888 . 0 0 "[ . 1 . 2]" 2
2148 2 67 PRO HB2 2 68 ASP HB3 5.250 . 5.250 4.074 3.686 4.991 . 0 0 "[ . 1 . 2]" 2
2149 2 13 ASP HB2 2 14 GLU H 4.890 . 4.890 4.212 2.673 4.458 . 0 0 "[ . 1 . 2]" 2
2150 2 13 ASP HB3 2 14 GLU H 4.890 . 4.890 4.197 3.871 4.409 . 0 0 "[ . 1 . 2]" 2
2151 2 53 CYS HB3 2 54 MET H 4.430 . 4.430 2.772 2.125 3.962 . 0 0 "[ . 1 . 2]" 2
2152 2 68 ASP H 2 68 ASP HB2 3.840 . 3.840 2.412 2.200 2.587 . 0 0 "[ . 1 . 2]" 2
2153 2 68 ASP HB2 2 69 ALA H 3.860 . 3.860 3.866 2.739 3.981 0.121 8 0 "[ . 1 . 2]" 2
2154 2 25 ASP QB 2 26 ASP H 3.690 . 3.690 3.126 2.846 3.766 0.076 11 0 "[ . 1 . 2]" 2
2155 2 68 ASP HB2 2 69 ALA MB 5.260 . 5.260 5.120 3.927 5.303 0.043 1 0 "[ . 1 . 2]" 2
2156 2 15 ASN HB3 2 15 ASN HD22 4.070 . 4.070 3.983 3.450 4.053 . 0 0 "[ . 1 . 2]" 2
2157 2 45 ARG H 2 45 ARG HD2 5.500 . 5.500 5.328 4.096 5.549 0.049 17 0 "[ . 1 . 2]" 2
2158 2 45 ARG HD2 2 46 TYR H 5.310 . 5.310 4.688 4.224 5.339 0.029 5 0 "[ . 1 . 2]" 2
2159 2 45 ARG HA 2 45 ARG HD2 5.220 . 5.220 4.628 2.511 5.159 . 0 0 "[ . 1 . 2]" 2
2160 2 73 ASN HB3 2 73 ASN HD22 4.090 . 4.090 3.521 3.490 3.748 . 0 0 "[ . 1 . 2]" 2
2161 2 66 ALA H 2 67 PRO HD3 5.500 . 5.500 4.818 4.605 5.096 . 0 0 "[ . 1 . 2]" 2
2162 2 67 PRO HD3 2 68 ASP H 5.500 . 5.500 5.484 5.266 5.642 0.142 8 0 "[ . 1 . 2]" 2
2163 2 67 PRO HD3 2 71 TRP HZ3 5.060 . 5.060 4.713 4.237 5.155 0.095 19 0 "[ . 1 . 2]" 2
2164 2 67 PRO HD3 2 71 TRP HE3 5.360 . 5.360 4.732 4.256 5.176 . 0 0 "[ . 1 . 2]" 2
2165 2 67 PRO HD3 2 71 TRP HA 5.350 . 5.350 4.601 4.248 4.968 . 0 0 "[ . 1 . 2]" 2
2166 2 57 VAL MG1 2 67 PRO HD3 5.320 . 5.320 3.327 2.667 3.993 . 0 0 "[ . 1 . 2]" 2
2167 2 82 LYS H 2 82 LYS QE 4.480 . 4.480 3.823 3.319 4.452 . 0 0 "[ . 1 . 2]" 2
2168 2 82 LYS HA 2 82 LYS QE 4.880 . 4.880 4.871 3.910 5.442 0.562 1 1 "[+ . 1 . 2]" 2
2169 2 82 LYS QE 2 82 LYS QG 2.800 . 2.800 2.149 2.047 2.333 . 0 0 "[ . 1 . 2]" 2
2170 2 45 ARG H 2 45 ARG HD3 5.500 . 5.500 4.933 4.417 5.664 0.164 14 0 "[ . 1 . 2]" 2
2171 2 45 ARG HD3 2 46 TYR H 5.310 . 5.310 5.175 4.283 5.485 0.175 3 0 "[ . 1 . 2]" 2
2172 2 71 TRP HB3 2 71 TRP HZ3 5.500 . 5.500 5.204 5.154 5.307 . 0 0 "[ . 1 . 2]" 2
2173 2 38 PHE H 2 39 PRO HD2 5.170 . 5.170 4.885 4.821 5.279 0.109 12 0 "[ . 1 . 2]" 2
2174 2 48 ASN HB3 2 53 CYS H 5.040 . 5.040 2.751 2.503 3.033 . 0 0 "[ . 1 . 2]" 2
2175 2 48 ASN HB3 2 51 SER H 5.220 . 5.220 3.109 2.846 3.413 . 0 0 "[ . 1 . 2]" 2
2176 2 38 PHE QB 2 41 ALA HA 4.910 . 4.910 4.028 3.978 4.079 . 0 0 "[ . 1 . 2]" 2
2177 2 38 PHE QB 2 38 PHE HE1 4.340 . 4.340 4.306 4.284 4.321 . 0 0 "[ . 1 . 2]" 2
2178 2 37 GLN QB 2 38 PHE QB 5.430 . 5.430 4.100 3.828 4.982 . 0 0 "[ . 1 . 2]" 2
2179 2 47 ARG QG 2 48 ASN HB3 5.500 . 5.500 4.933 4.500 5.829 0.329 2 0 "[ . 1 . 2]" 2
2180 2 38 PHE QB 2 41 ALA MB 4.460 . 4.460 1.868 1.809 1.916 . 0 0 "[ . 1 . 2]" 2
2181 2 34 VAL QG 2 38 PHE QB 4.560 . 4.560 2.836 2.738 2.949 . 0 0 "[ . 1 . 2]" 2
2182 2 38 PHE QB 2 78 VAL MG2 4.470 . 4.470 3.357 3.245 3.505 . 0 0 "[ . 1 . 2]" 2
2183 2 38 PHE QB 2 78 VAL MG1 4.990 . 4.990 3.741 3.501 3.943 . 0 0 "[ . 1 . 2]" 2
2184 2 34 VAL HA 2 38 PHE H 5.270 . 5.270 4.277 4.081 4.543 . 0 0 "[ . 1 . 2]" 2
2185 2 33 THR H 2 34 VAL HA 5.330 . 5.330 5.150 5.090 5.206 . 0 0 "[ . 1 . 2]" 2
2186 2 33 THR HB 2 34 VAL HA 4.730 . 4.730 4.064 4.005 4.139 . 0 0 "[ . 1 . 2]" 2
2187 2 34 VAL HA 2 35 THR HA 5.040 . 5.040 4.742 4.710 4.780 . 0 0 "[ . 1 . 2]" 2
2188 2 33 THR HA 2 34 VAL HA 4.950 . 4.950 4.788 4.775 4.811 . 0 0 "[ . 1 . 2]" 2
2189 2 34 VAL HA 2 38 PHE QB 5.280 . 5.280 4.761 4.656 4.843 . 0 0 "[ . 1 . 2]" 2
2190 2 34 VAL HA 2 37 GLN QB 5.290 . 5.290 3.904 3.075 5.360 0.070 7 0 "[ . 1 . 2]" 2
2191 2 33 THR MG 2 34 VAL HA 4.370 . 4.370 4.212 4.096 4.338 . 0 0 "[ . 1 . 2]" 2
2192 2 62 GLY HA3 2 63 ILE HB 5.500 . 5.500 5.379 5.296 5.451 . 0 0 "[ . 1 . 2]" 2
2193 2 31 LEU HB2 2 62 GLY HA3 4.880 . 4.880 2.725 2.264 2.894 . 0 0 "[ . 1 . 2]" 2
2194 2 59 LEU MD1 2 62 GLY HA3 4.730 . 4.730 3.707 3.626 3.800 . 0 0 "[ . 1 . 2]" 2
2195 2 40 GLY HA2 2 80 TYR QE 5.500 . 5.500 5.476 5.283 5.593 0.093 7 0 "[ . 1 . 2]" 2
2196 2 17 GLU H 2 18 PRO HD2 4.930 . 4.930 5.006 4.874 5.145 0.215 9 0 "[ . 1 . 2]" 2
2197 2 17 GLU QG 2 18 PRO HD2 4.060 . 4.060 4.025 3.752 4.262 0.202 16 0 "[ . 1 . 2]" 2
2198 2 38 PHE H 2 39 PRO HD3 5.170 . 5.170 4.918 4.584 5.029 . 0 0 "[ . 1 . 2]" 2
2199 2 11 THR HB 2 13 ASP H 5.150 . 5.150 4.485 4.065 5.191 0.041 4 0 "[ . 1 . 2]" 2
2200 2 51 SER H 2 52 GLN HA 4.420 . 4.420 4.326 4.187 4.475 0.055 10 0 "[ . 1 . 2]" 2
2201 2 48 ASN HB3 2 52 GLN HA 5.210 . 5.210 4.532 4.161 4.854 . 0 0 "[ . 1 . 2]" 2
2202 2 52 GLN HA 2 52 GLN HG2 3.650 . 3.650 3.135 3.010 3.255 . 0 0 "[ . 1 . 2]" 2
2203 2 30 LEU HB3 2 32 SER HB2 5.350 . 5.350 4.884 3.734 5.410 0.060 5 0 "[ . 1 . 2]" 2
2204 2 43 GLY HA3 2 44 LEU HB2 5.500 . 5.500 5.153 4.867 5.378 . 0 0 "[ . 1 . 2]" 2
2205 2 43 GLY HA3 2 64 LEU MD2 4.800 . 4.800 4.075 3.716 4.846 0.046 10 0 "[ . 1 . 2]" 2
2206 2 4 MET HA 2 5 SER QB 5.330 . 5.330 4.337 3.854 5.220 . 0 0 "[ . 1 . 2]" 2
2207 2 5 SER QB 2 23 SER HA 5.500 . 5.500 5.004 4.796 5.321 . 0 0 "[ . 1 . 2]" 2
2208 2 5 SER QB 2 25 ASP QB 4.650 . 4.650 3.036 2.173 4.197 . 0 0 "[ . 1 . 2]" 2
2209 2 5 SER QB 2 22 PRO HB3 5.180 . 5.180 5.303 4.922 5.504 0.324 19 0 "[ . 1 . 2]" 2
2210 2 49 PRO HB2 2 50 VAL HA 4.430 . 4.430 4.210 4.010 4.314 . 0 0 "[ . 1 . 2]" 2
2211 2 72 GLY QA 2 74 LEU MD1 5.130 . 5.130 4.960 4.716 5.148 0.018 15 0 "[ . 1 . 2]" 2
2212 2 60 VAL H 2 61 GLU HA 5.500 . 5.500 5.426 5.272 5.508 0.008 18 0 "[ . 1 . 2]" 2
2213 2 61 GLU HA 2 62 GLY H 3.280 . 3.280 2.853 2.705 2.917 . 0 0 "[ . 1 . 2]" 2
2214 2 61 GLU HA 2 62 GLY HA3 4.470 . 4.470 4.343 4.290 4.368 . 0 0 "[ . 1 . 2]" 2
2215 2 30 LEU HB3 2 32 SER HB3 5.350 . 5.350 4.497 3.810 5.482 0.132 7 0 "[ . 1 . 2]" 2
2216 2 58 ARG HA 2 58 ARG QG 3.600 . 3.600 2.493 2.344 3.338 . 0 0 "[ . 1 . 2]" 2
2217 2 49 PRO HD2 2 50 VAL MG2 4.770 . 4.770 3.305 2.832 3.465 . 0 0 "[ . 1 . 2]" 2
2218 2 28 THR HB 2 65 HIS HD2 5.500 . 5.500 4.594 4.106 4.899 . 0 0 "[ . 1 . 2]" 2
2219 2 28 THR HB 2 29 VAL HA 5.320 . 5.320 4.250 4.140 4.340 . 0 0 "[ . 1 . 2]" 2
2220 2 28 THR HB 2 63 ILE HA 5.500 . 5.500 4.947 4.699 5.290 . 0 0 "[ . 1 . 2]" 2
2221 2 28 THR HB 2 29 VAL MG2 5.500 . 5.500 5.421 5.264 5.551 0.051 3 0 "[ . 1 . 2]" 2
2222 2 27 GLY HA2 2 28 THR MG 5.360 . 5.360 4.598 4.442 4.710 . 0 0 "[ . 1 . 2]" 2
2223 2 33 THR HA 2 35 THR H 5.100 . 5.100 4.696 4.607 4.751 . 0 0 "[ . 1 . 2]" 2
2224 2 32 SER H 2 33 THR HA 5.500 . 5.500 5.345 5.297 5.401 . 0 0 "[ . 1 . 2]" 2
2225 2 33 THR HA 2 36 ALA H 4.260 . 4.260 3.528 3.410 3.710 . 0 0 "[ . 1 . 2]" 2
2226 2 31 LEU HA 2 34 VAL H 4.220 . 4.220 3.406 3.277 3.486 . 0 0 "[ . 1 . 2]" 2
2227 2 31 LEU HA 2 62 GLY HA3 5.160 . 5.160 5.077 4.619 5.235 0.075 6 0 "[ . 1 . 2]" 2
2228 2 31 LEU HA 2 34 VAL HB 3.970 . 3.970 2.931 2.854 3.006 . 0 0 "[ . 1 . 2]" 2
2229 2 31 LEU HA 2 31 LEU HG 3.730 . 3.730 3.201 3.179 3.240 . 0 0 "[ . 1 . 2]" 2
2230 2 31 LEU HA 2 31 LEU MD1 2.880 . 2.880 2.126 2.082 2.159 . 0 0 "[ . 1 . 2]" 2
2231 2 17 GLU H 2 18 PRO HD3 4.880 . 4.880 4.598 4.242 4.902 0.022 15 0 "[ . 1 . 2]" 2
2232 2 17 GLU QG 2 18 PRO HD3 4.830 . 4.830 4.470 4.112 4.882 0.052 2 0 "[ . 1 . 2]" 2
2233 2 38 PHE HE1 2 78 VAL HA 5.500 . 5.500 5.221 5.086 5.362 . 0 0 "[ . 1 . 2]" 2
2234 2 38 PHE HZ 2 78 VAL HA 5.500 . 5.500 5.576 5.528 5.621 0.121 6 0 "[ . 1 . 2]" 2
2235 2 78 VAL HA 2 79 ASN HA 4.510 . 4.510 4.331 4.293 4.383 . 0 0 "[ . 1 . 2]" 2
2236 2 7 ARG QD 2 22 PRO HA 5.500 . 5.500 5.303 4.769 5.534 0.034 18 0 "[ . 1 . 2]" 2
2237 2 75 VAL HA 2 76 TYR HB3 5.500 . 5.500 5.249 4.833 5.673 0.173 6 0 "[ . 1 . 2]" 2
2238 2 75 VAL HA 2 76 TYR HB2 4.730 . 4.730 4.472 4.296 4.708 . 0 0 "[ . 1 . 2]" 2
2239 2 44 LEU HG 2 78 VAL HA 4.510 . 4.510 3.050 2.048 4.483 . 0 0 "[ . 1 . 2]" 2
2240 2 8 ILE MG 2 22 PRO HA 5.260 . 5.260 4.668 4.361 4.853 . 0 0 "[ . 1 . 2]" 2
2241 2 35 THR H 2 36 ALA HA 5.400 . 5.400 5.110 5.094 5.134 . 0 0 "[ . 1 . 2]" 2
2242 2 68 ASP HA 2 69 ALA H 3.500 . 3.500 3.461 3.419 3.491 . 0 0 "[ . 1 . 2]" 2
2243 2 66 ALA MB 2 68 ASP HA 5.500 . 5.500 5.469 5.249 5.593 0.093 9 0 "[ . 1 . 2]" 2
2244 2 37 GLN HA 2 37 GLN QB 2.790 . 2.790 2.448 2.173 2.536 . 0 0 "[ . 1 . 2]" 2
2245 2 73 ASN H 2 74 LEU HA 4.900 . 4.900 4.764 4.583 4.918 0.018 5 0 "[ . 1 . 2]" 2
2246 2 74 LEU HA 2 75 VAL H 3.510 . 3.510 3.281 3.210 3.365 . 0 0 "[ . 1 . 2]" 2
2247 2 43 GLY HA2 2 44 LEU HB2 4.630 . 4.630 4.256 3.924 4.545 . 0 0 "[ . 1 . 2]" 2
2248 2 61 GLU H 2 62 GLY HA2 5.360 . 5.360 5.144 5.024 5.286 . 0 0 "[ . 1 . 2]" 2
2249 2 31 LEU H 2 62 GLY HA2 5.140 . 5.140 4.378 4.151 4.552 . 0 0 "[ . 1 . 2]" 2
2250 2 31 LEU MD2 2 62 GLY HA2 4.040 . 4.040 2.577 2.417 2.988 . 0 0 "[ . 1 . 2]" 2
2251 2 62 GLY HA3 2 63 ILE HA 5.000 . 5.000 4.384 4.332 4.414 . 0 0 "[ . 1 . 2]" 2
2252 2 63 ILE HA 2 63 ILE HG12 3.760 . 3.760 2.889 2.767 2.975 . 0 0 "[ . 1 . 2]" 2
2253 2 63 ILE HA 2 63 ILE MD 3.020 . 3.020 2.085 2.045 2.168 . 0 0 "[ . 1 . 2]" 2
2254 2 40 GLY H 2 41 ALA HA 4.690 . 4.690 4.769 4.751 4.790 0.100 2 0 "[ . 1 . 2]" 2
2255 2 41 ALA HA 2 80 TYR QD 4.230 . 4.230 2.902 2.723 3.221 . 0 0 "[ . 1 . 2]" 2
2256 2 41 ALA HA 2 80 TYR HA 4.030 . 4.030 2.554 2.370 2.759 . 0 0 "[ . 1 . 2]" 2
2257 2 41 ALA HA 2 42 CYS HA 4.730 . 4.730 4.451 4.414 4.483 . 0 0 "[ . 1 . 2]" 2
2258 2 68 ASP HB3 2 69 ALA HA 4.220 . 4.220 4.234 4.118 4.305 0.085 17 0 "[ . 1 . 2]" 2
2259 2 48 ASN H 2 49 PRO HD3 5.390 . 5.390 4.638 4.255 4.804 . 0 0 "[ . 1 . 2]" 2
2260 2 49 PRO HD3 2 50 VAL MG2 4.770 . 4.770 4.713 4.363 4.801 0.031 2 0 "[ . 1 . 2]" 2
2261 2 34 VAL QG 2 41 ALA HA 5.070 . 5.070 4.720 4.585 4.858 . 0 0 "[ . 1 . 2]" 2
2262 2 35 THR HA 2 40 GLY H 4.320 . 4.320 2.877 2.725 3.025 . 0 0 "[ . 1 . 2]" 2
2263 2 35 THR HA 2 41 ALA H 4.150 . 4.150 3.457 3.215 3.570 . 0 0 "[ . 1 . 2]" 2
2264 2 35 THR HA 2 37 GLN H 3.910 . 3.910 3.577 3.475 3.730 . 0 0 "[ . 1 . 2]" 2
2265 2 35 THR HA 2 38 PHE HA 4.900 . 4.900 4.873 4.753 4.948 0.048 6 0 "[ . 1 . 2]" 2
2266 2 35 THR HA 2 40 GLY HA2 4.100 . 4.100 3.997 3.775 4.153 0.053 11 0 "[ . 1 . 2]" 2
2267 2 35 THR HA 2 38 PHE QB 4.330 . 4.330 2.852 2.748 2.998 . 0 0 "[ . 1 . 2]" 2
2268 2 34 VAL QG 2 35 THR HA 3.760 . 3.760 3.334 3.276 3.395 . 0 0 "[ . 1 . 2]" 2
2269 2 82 LYS HA 2 82 LYS QG 3.470 . 3.470 3.401 2.680 3.484 0.014 3 0 "[ . 1 . 2]" 2
2270 2 5 SER HA 2 5 SER QB 2.560 . 2.560 2.379 2.323 2.442 . 0 0 "[ . 1 . 2]" 2
2271 2 25 ASP HA 2 26 ASP H 3.540 . 3.540 3.409 3.253 3.477 . 0 0 "[ . 1 . 2]" 2
2272 2 11 THR HA 2 12 GLU HA 4.620 . 4.620 4.404 4.348 4.449 . 0 0 "[ . 1 . 2]" 2
2273 2 12 GLU HA 2 78 VAL MG1 3.310 . 3.310 2.841 2.363 3.263 . 0 0 "[ . 1 . 2]" 2
2274 2 67 PRO HA 2 69 ALA H 4.630 . 4.630 4.335 4.142 4.527 . 0 0 "[ . 1 . 2]" 2
2275 2 66 ALA HA 2 67 PRO HA 4.440 . 4.440 4.441 4.412 4.462 0.022 1 0 "[ . 1 . 2]" 2
2276 2 67 PRO HA 2 70 GLY H 4.830 . 4.830 4.571 4.494 4.722 . 0 0 "[ . 1 . 2]" 2
2277 2 8 ILE HA 2 21 ILE H 4.720 . 4.720 4.423 4.255 4.538 . 0 0 "[ . 1 . 2]" 2
2278 2 8 ILE HA 2 9 ARG H 3.300 . 3.300 2.121 2.071 2.193 . 0 0 "[ . 1 . 2]" 2
2279 2 8 ILE HA 2 8 ILE MG 3.200 . 3.200 2.319 2.289 2.349 . 0 0 "[ . 1 . 2]" 2
2280 2 27 GLY HA3 2 28 THR MG 5.360 . 5.360 3.928 3.753 4.040 . 0 0 "[ . 1 . 2]" 2
2281 2 24 GLU HA 2 26 ASP H 4.250 . 4.250 3.942 3.699 4.137 . 0 0 "[ . 1 . 2]" 2
2282 2 32 SER H 2 33 THR HB 5.500 . 5.500 5.404 5.338 5.504 0.004 12 0 "[ . 1 . 2]" 2
2283 2 30 LEU HB2 2 33 THR HB 5.500 . 5.500 5.065 4.870 5.293 . 0 0 "[ . 1 . 2]" 2
2284 2 29 VAL MG1 2 33 THR HB 4.270 . 4.270 3.356 2.772 3.562 . 0 0 "[ . 1 . 2]" 2
2285 2 29 VAL MG2 2 33 THR HB 4.920 . 4.920 3.365 3.134 3.559 . 0 0 "[ . 1 . 2]" 2
2286 2 29 VAL HA 2 71 TRP HZ2 5.150 . 5.150 3.995 3.877 4.180 . 0 0 "[ . 1 . 2]" 2
2287 2 31 LEU HG 2 32 SER HA 3.850 . 3.850 3.580 3.528 3.646 . 0 0 "[ . 1 . 2]" 2
2288 2 29 VAL HA 2 29 VAL MG2 3.640 . 3.640 2.149 2.136 2.160 . 0 0 "[ . 1 . 2]" 2
2289 2 6 GLU HA 2 7 ARG H 2.560 . 2.560 2.200 2.114 2.304 . 0 0 "[ . 1 . 2]" 2
2290 2 32 SER HA 2 35 THR H 3.960 . 3.960 3.451 3.292 3.597 . 0 0 "[ . 1 . 2]" 2
2291 2 32 SER HA 2 36 ALA H 4.020 . 4.020 4.063 3.918 4.150 0.130 6 0 "[ . 1 . 2]" 2
2292 2 35 THR HB 2 40 GLY H 4.100 . 4.100 3.505 3.166 3.739 . 0 0 "[ . 1 . 2]" 2
2293 2 35 THR HB 2 38 PHE H 5.280 . 5.280 5.323 5.163 5.380 0.100 6 0 "[ . 1 . 2]" 2
2294 2 35 THR HB 2 41 ALA H 4.850 . 4.850 4.797 4.603 4.882 0.032 18 0 "[ . 1 . 2]" 2
2295 2 35 THR HB 2 36 ALA H 4.250 . 4.250 3.989 3.944 4.018 . 0 0 "[ . 1 . 2]" 2
2296 2 35 THR HB 2 37 GLN H 5.400 . 5.400 5.170 5.087 5.326 . 0 0 "[ . 1 . 2]" 2
2297 2 35 THR HB 2 40 GLY HA2 4.620 . 4.620 3.324 3.077 3.514 . 0 0 "[ . 1 . 2]" 2
2298 2 16 ASP HA 2 17 GLU HA 4.350 . 4.350 4.312 4.214 4.373 0.023 17 0 "[ . 1 . 2]" 2
2299 2 17 GLU HA 2 18 PRO HD3 2.980 . 2.980 2.075 1.851 2.246 . 0 0 "[ . 1 . 2]" 2
2300 2 17 GLU HA 2 18 PRO HD2 3.000 . 3.000 2.352 2.155 2.672 . 0 0 "[ . 1 . 2]" 2
2301 2 17 GLU HA 2 17 GLU QG 3.390 . 3.390 2.951 2.422 3.448 0.058 2 0 "[ . 1 . 2]" 2
2302 2 81 PRO HA 2 83 ASP H 4.640 . 4.640 3.712 3.284 4.309 . 0 0 "[ . 1 . 2]" 2
2303 2 80 TYR HA 2 81 PRO HA 4.690 . 4.690 4.444 4.385 4.488 . 0 0 "[ . 1 . 2]" 2
2304 2 71 TRP HA 2 74 LEU H 3.920 . 3.920 3.599 3.474 3.741 . 0 0 "[ . 1 . 2]" 2
2305 2 67 PRO HD2 2 71 TRP HA 4.310 . 4.310 3.687 3.496 3.875 . 0 0 "[ . 1 . 2]" 2
2306 2 39 PRO HA 2 40 GLY H 3.370 . 3.370 2.832 2.714 2.904 . 0 0 "[ . 1 . 2]" 2
2307 2 39 PRO HA 2 41 ALA H 4.910 . 4.910 4.557 4.471 4.622 . 0 0 "[ . 1 . 2]" 2
2308 2 19 ILE HA 2 20 GLU HA 4.700 . 4.700 4.430 4.383 4.477 . 0 0 "[ . 1 . 2]" 2
2309 2 11 THR HB 2 19 ILE HA 5.500 . 5.500 5.557 5.219 5.852 0.352 8 0 "[ . 1 . 2]" 2
2310 2 19 ILE HA 2 19 ILE HG13 3.660 . 3.660 3.606 3.567 3.668 0.008 3 0 "[ . 1 . 2]" 2
2311 2 19 ILE HA 2 19 ILE MD 3.850 . 3.850 3.680 3.631 3.724 . 0 0 "[ . 1 . 2]" 2
2312 2 23 SER HA 2 29 VAL MG1 4.590 . 4.590 4.541 4.356 4.727 0.137 3 0 "[ . 1 . 2]" 2
2313 2 23 SER HA 2 29 VAL MG2 3.460 . 3.460 2.094 1.952 2.302 . 0 0 "[ . 1 . 2]" 2
2314 2 8 ILE MD 2 23 SER HA 4.370 . 4.370 4.144 3.901 4.330 . 0 0 "[ . 1 . 2]" 2
2315 2 26 ASP HA 2 28 THR H 5.240 . 5.240 4.860 4.648 5.154 . 0 0 "[ . 1 . 2]" 2
2316 2 26 ASP HA 2 26 ASP HB3 2.900 . 2.900 2.939 2.415 3.019 0.119 6 0 "[ . 1 . 2]" 2
2317 2 26 ASP HA 2 26 ASP HB2 2.900 . 2.900 2.539 2.387 3.012 0.112 8 0 "[ . 1 . 2]" 2
2318 2 53 CYS HA 2 54 MET H 3.290 . 3.290 2.396 2.151 2.662 . 0 0 "[ . 1 . 2]" 2
2319 2 48 ASN H 2 53 CYS HA 4.810 . 4.810 4.813 4.711 4.887 0.077 8 0 "[ . 1 . 2]" 2
2320 2 52 GLN H 2 53 CYS HA 5.500 . 5.500 5.208 5.152 5.291 . 0 0 "[ . 1 . 2]" 2
2321 2 21 ILE HA 2 22 PRO QG 3.850 . 3.850 3.859 3.777 3.903 0.053 4 0 "[ . 1 . 2]" 2
2322 2 21 ILE HA 2 21 ILE HG13 3.960 . 3.960 3.439 3.360 3.532 . 0 0 "[ . 1 . 2]" 2
2323 2 21 ILE HA 2 21 ILE MG 3.170 . 3.170 2.165 2.155 2.180 . 0 0 "[ . 1 . 2]" 2
2324 2 13 ASP HA 2 14 GLU H 3.020 . 3.020 2.092 2.013 2.173 . 0 0 "[ . 1 . 2]" 2
2325 2 13 ASP HA 2 14 GLU HA 4.570 . 4.570 4.346 4.240 4.402 . 0 0 "[ . 1 . 2]" 2
2326 2 65 HIS HA 2 65 HIS HD2 4.420 . 4.420 3.313 2.950 3.528 . 0 0 "[ . 1 . 2]" 2
2327 2 65 HIS HA 2 71 TRP HZ2 4.760 . 4.760 3.732 3.597 3.867 . 0 0 "[ . 1 . 2]" 2
2328 2 65 HIS HA 2 71 TRP HH2 4.810 . 4.810 3.623 3.351 3.840 . 0 0 "[ . 1 . 2]" 2
2329 2 14 GLU HA 2 15 ASN HA 4.790 . 4.790 4.668 4.591 4.737 . 0 0 "[ . 1 . 2]" 2
2330 2 11 THR HA 2 18 PRO HA 4.270 . 4.270 3.869 3.073 4.302 0.032 11 0 "[ . 1 . 2]" 2
2331 2 11 THR HB 2 18 PRO HA 3.840 . 3.840 1.805 1.705 1.927 0.095 8 0 "[ . 1 . 2]" 2
2332 2 9 ARG HA 2 20 GLU QG 3.880 . 3.880 2.450 2.018 3.406 . 0 0 "[ . 1 . 2]" 2
2333 2 28 THR HA 2 28 THR MG 3.530 . 3.530 2.215 2.169 2.275 . 0 0 "[ . 1 . 2]" 2
2334 2 48 ASN HA 2 52 GLN H 5.500 . 5.500 5.073 4.871 5.378 . 0 0 "[ . 1 . 2]" 2
2335 2 79 ASN HA 2 80 TYR H 3.160 . 3.160 2.202 2.120 2.333 . 0 0 "[ . 1 . 2]" 2
2336 2 79 ASN HA 2 80 TYR QD 5.480 . 5.480 4.381 3.553 5.045 . 0 0 "[ . 1 . 2]" 2
2337 2 78 VAL MG2 2 79 ASN HA 4.160 . 4.160 3.775 3.725 3.897 . 0 0 "[ . 1 . 2]" 2
2338 2 16 ASP HA 2 17 GLU H 2.780 . 2.780 2.732 2.355 2.929 0.149 17 0 "[ . 1 . 2]" 2
2339 2 46 TYR HA 2 77 VAL H 4.090 . 4.090 3.091 2.787 3.338 . 0 0 "[ . 1 . 2]" 2
2340 2 46 TYR HA 2 47 ARG H 3.400 . 3.400 2.303 2.188 2.498 . 0 0 "[ . 1 . 2]" 2
2341 2 46 TYR HA 2 46 TYR QD 3.870 . 3.870 3.714 3.658 3.739 . 0 0 "[ . 1 . 2]" 2
2342 2 42 CYS HA 2 43 GLY HA2 4.870 . 4.870 4.511 4.490 4.532 . 0 0 "[ . 1 . 2]" 2
2343 2 46 TYR HA 2 47 ARG HA 5.170 . 5.170 4.286 4.243 4.336 . 0 0 "[ . 1 . 2]" 2
2344 2 31 LEU MD1 2 42 CYS HA 3.500 . 3.500 2.535 2.395 2.749 . 0 0 "[ . 1 . 2]" 2
2345 2 46 TYR HA 2 77 VAL QG 3.950 . 3.950 3.220 2.585 3.850 . 0 0 "[ . 1 . 2]" 2
2346 2 38 PHE HA 2 39 PRO HD3 3.620 . 3.620 2.268 1.782 2.352 0.018 12 0 "[ . 1 . 2]" 2
2347 2 38 PHE HA 2 39 PRO HD2 3.620 . 3.620 2.293 2.077 2.900 . 0 0 "[ . 1 . 2]" 2
2348 2 38 PHE HA 2 39 PRO QG 4.100 . 4.100 3.908 3.577 4.011 . 0 0 "[ . 1 . 2]" 2
2349 2 73 ASN HA 2 74 LEU HA 5.430 . 5.430 4.509 4.446 4.544 . 0 0 "[ . 1 . 2]" 2
2350 2 72 GLY QA 2 73 ASN HA 4.630 . 4.630 3.972 3.944 3.994 . 0 0 "[ . 1 . 2]" 2
2351 2 73 ASN HA 2 74 LEU HB3 5.500 . 5.500 5.435 5.357 5.507 0.007 10 0 "[ . 1 . 2]" 2
2352 2 11 THR HA 2 13 ASP H 4.530 . 4.530 4.241 3.984 4.597 0.067 19 0 "[ . 1 . 2]" 2
2353 2 10 VAL HA 2 11 THR HA 4.570 . 4.570 4.483 4.408 4.527 . 0 0 "[ . 1 . 2]" 2
2354 2 11 THR HA 2 19 ILE HG12 4.440 . 4.440 4.067 3.767 4.481 0.041 3 0 "[ . 1 . 2]" 2
2355 2 11 THR HA 2 78 VAL MG1 4.380 . 4.380 3.172 2.840 3.556 . 0 0 "[ . 1 . 2]" 2
2356 2 80 TYR HA 2 80 TYR QD 4.410 . 4.410 2.600 2.261 2.963 . 0 0 "[ . 1 . 2]" 2
2357 2 78 VAL MG2 2 80 TYR HA 4.990 . 4.990 4.222 3.966 4.438 . 0 0 "[ . 1 . 2]" 2
2358 2 78 VAL MG1 2 80 TYR HA 5.500 . 5.500 4.890 4.600 5.098 . 0 0 "[ . 1 . 2]" 2
2359 2 8 ILE H 2 20 GLU HA 4.410 . 4.410 3.545 3.337 3.855 . 0 0 "[ . 1 . 2]" 2
2360 2 20 GLU HA 2 20 GLU QG 3.410 . 3.410 2.297 2.228 2.440 . 0 0 "[ . 1 . 2]" 2
2361 2 8 ILE HG12 2 20 GLU HA 5.120 . 5.120 4.536 4.282 4.814 . 0 0 "[ . 1 . 2]" 2
2362 2 59 LEU HA 2 60 VAL MG1 3.720 . 3.720 3.592 3.508 3.699 . 0 0 "[ . 1 . 2]" 2
2363 2 59 LEU HA 2 59 LEU MD1 3.870 . 3.870 2.049 2.017 2.082 . 0 0 "[ . 1 . 2]" 2
2364 2 63 ILE H 2 64 LEU HA 5.330 . 5.330 4.998 4.929 5.109 . 0 0 "[ . 1 . 2]" 2
2365 2 64 LEU HA 2 65 HIS HD2 4.860 . 4.860 3.879 3.487 4.555 . 0 0 "[ . 1 . 2]" 2
2366 2 43 GLY HA2 2 64 LEU HA 5.500 . 5.500 5.492 5.069 5.608 0.108 19 0 "[ . 1 . 2]" 2
2367 2 63 ILE HA 2 64 LEU HA 5.500 . 5.500 4.360 4.338 4.382 . 0 0 "[ . 1 . 2]" 2
2368 2 43 GLY HA3 2 44 LEU HA 5.370 . 5.370 4.380 4.351 4.408 . 0 0 "[ . 1 . 2]" 2
2369 2 44 LEU HA 2 79 ASN HB2 5.280 . 5.280 3.443 3.309 3.593 . 0 0 "[ . 1 . 2]" 2
2370 2 44 LEU HA 2 79 ASN HB3 4.950 . 4.950 5.029 4.927 5.133 0.183 12 0 "[ . 1 . 2]" 2
2371 2 44 LEU HA 2 57 VAL MG1 5.260 . 5.260 4.519 4.279 4.969 . 0 0 "[ . 1 . 2]" 2
2372 2 44 LEU HA 2 44 LEU MD2 4.010 . 4.010 3.121 2.135 3.781 . 0 0 "[ . 1 . 2]" 2
2373 2 10 VAL HA 2 78 VAL H 5.070 . 5.070 5.088 4.967 5.152 0.082 5 0 "[ . 1 . 2]" 2
2374 2 10 VAL HA 2 77 VAL HA 4.130 . 4.130 4.157 3.905 4.271 0.141 2 0 "[ . 1 . 2]" 2
2375 2 10 VAL HA 2 75 VAL HA 4.650 . 4.650 4.168 4.033 4.394 . 0 0 "[ . 1 . 2]" 2
2376 2 10 VAL HA 2 11 THR HB 4.930 . 4.930 4.393 4.288 4.591 . 0 0 "[ . 1 . 2]" 2
2377 2 9 ARG HB2 2 10 VAL HA 5.500 . 5.500 5.076 4.418 5.658 0.158 2 0 "[ . 1 . 2]" 2
2378 2 9 ARG HB3 2 10 VAL HA 4.650 . 4.650 4.327 4.160 4.542 . 0 0 "[ . 1 . 2]" 2
2379 2 10 VAL HA 2 78 VAL MG1 5.130 . 5.130 5.235 5.157 5.318 0.188 6 0 "[ . 1 . 2]" 2
2380 2 45 ARG HA 2 57 VAL H 4.670 . 4.670 3.655 3.239 4.018 . 0 0 "[ . 1 . 2]" 2
2381 2 45 ARG HA 2 46 TYR QD 4.030 . 4.030 2.822 2.489 3.100 . 0 0 "[ . 1 . 2]" 2
2382 2 45 ARG HA 2 45 ARG HD3 5.220 . 5.220 4.594 3.660 4.879 . 0 0 "[ . 1 . 2]" 2
2383 2 45 ARG HA 2 46 TYR HB3 5.090 . 5.090 4.364 4.190 4.527 . 0 0 "[ . 1 . 2]" 2
2384 2 30 LEU HB3 2 31 LEU H 5.010 . 5.010 4.096 4.000 4.132 . 0 0 "[ . 1 . 2]" 2
2385 2 30 LEU HB3 2 32 SER H 5.370 . 5.370 4.015 3.822 4.132 . 0 0 "[ . 1 . 2]" 2
2386 2 29 VAL HA 2 30 LEU HB3 4.620 . 4.620 4.546 4.410 4.618 . 0 0 "[ . 1 . 2]" 2
2387 2 47 ARG H 2 54 MET ME 3.340 . 3.340 2.843 2.309 3.221 . 0 0 "[ . 1 . 2]" 2
2388 2 48 ASN H 2 54 MET ME 4.540 . 4.540 4.626 4.134 4.852 0.312 14 0 "[ . 1 . 2]" 2
2389 2 46 TYR HA 2 54 MET ME 3.460 . 3.460 2.734 2.162 3.083 . 0 0 "[ . 1 . 2]" 2
2390 2 47 ARG HA 2 54 MET ME 3.730 . 3.730 3.063 2.412 3.395 . 0 0 "[ . 1 . 2]" 2
2391 2 10 VAL MG1 2 78 VAL HB 3.230 . 3.230 3.047 2.953 3.164 . 0 0 "[ . 1 . 2]" 2
2392 2 31 LEU MD1 2 62 GLY HA2 4.150 . 4.150 3.303 2.681 3.536 . 0 0 "[ . 1 . 2]" 2
2393 2 28 THR MG 2 29 VAL H 4.000 . 4.000 3.512 3.330 3.684 . 0 0 "[ . 1 . 2]" 2
2394 2 74 LEU HA 2 74 LEU MD1 3.620 . 3.620 3.599 3.569 3.628 0.008 9 0 "[ . 1 . 2]" 2
2395 2 10 VAL MG2 2 11 THR H 3.140 . 3.140 2.052 1.919 2.191 . 0 0 "[ . 1 . 2]" 2
2396 2 10 VAL MG2 2 78 VAL HA 2.930 . 2.930 2.748 2.670 2.851 . 0 0 "[ . 1 . 2]" 2
2397 2 10 VAL MG2 2 78 VAL HB 2.840 . 2.840 1.992 1.852 2.075 . 0 0 "[ . 1 . 2]" 2
2398 2 10 VAL MG2 2 78 VAL MG1 2.990 . 2.990 2.772 2.693 2.874 . 0 0 "[ . 1 . 2]" 2
2399 2 63 ILE H 2 63 ILE MD 4.120 . 4.120 3.705 3.541 3.904 . 0 0 "[ . 1 . 2]" 2
2400 2 30 LEU MD2 2 31 LEU H 4.090 . 4.090 4.292 4.250 4.323 0.233 2 0 "[ . 1 . 2]" 2
2401 2 30 LEU MD2 2 32 SER H 4.290 . 4.290 3.257 3.172 3.465 . 0 0 "[ . 1 . 2]" 2
2402 2 30 LEU HB2 2 30 LEU MD2 3.260 . 3.260 2.404 2.285 2.491 . 0 0 "[ . 1 . 2]" 2
2403 2 19 ILE MG 2 20 GLU H 3.830 . 3.830 3.682 3.557 3.745 . 0 0 "[ . 1 . 2]" 2
2404 2 19 ILE HG12 2 37 GLN QG 3.450 . 3.450 3.131 1.933 3.668 0.218 3 0 "[ . 1 . 2]" 2
2405 2 36 ALA MB 2 37 GLN QB 3.670 . 3.670 3.616 3.466 3.979 0.309 3 0 "[ . 1 . 2]" 2
2406 2 74 LEU HA 2 74 LEU HG 3.850 . 3.850 3.669 3.647 3.695 . 0 0 "[ . 1 . 2]" 2
2407 2 21 ILE HB 2 34 VAL HA 4.560 . 4.560 4.618 4.561 4.676 0.116 16 0 "[ . 1 . 2]" 2
2408 2 9 ARG HB2 2 20 GLU QG 4.230 . 4.230 3.834 2.515 4.318 0.088 12 0 "[ . 1 . 2]" 2
2409 2 17 GLU H 2 17 GLU QG 2.880 . 2.880 2.299 2.096 2.810 . 0 0 "[ . 1 . 2]" 2
2410 2 7 ARG HA 2 7 ARG QD 3.780 . 3.780 3.535 3.503 3.566 . 0 0 "[ . 1 . 2]" 2
2411 2 7 ARG QB 2 7 ARG QD 2.640 . 2.640 2.412 2.332 2.624 . 0 0 "[ . 1 . 2]" 2
2412 2 8 ILE MD 2 64 LEU HB3 5.500 . 5.500 5.359 5.005 5.515 0.015 17 0 "[ . 1 . 2]" 2
2413 2 7 ARG QD 2 8 ILE HG12 5.500 . 5.500 5.592 5.547 5.664 0.164 5 0 "[ . 1 . 2]" 2
2414 2 8 ILE HG12 2 20 GLU QG 5.500 . 5.500 5.209 4.391 5.500 0.000 11 0 "[ . 1 . 2]" 2
2415 2 78 VAL HA 2 78 VAL MG2 3.300 . 3.300 2.412 2.384 2.441 . 0 0 "[ . 1 . 2]" 2
2416 2 41 ALA H 2 78 VAL MG2 4.940 . 4.940 4.652 4.558 4.752 . 0 0 "[ . 1 . 2]" 2
2417 2 77 VAL HA 2 78 VAL MG1 3.990 . 3.990 3.662 3.601 3.756 . 0 0 "[ . 1 . 2]" 2
2418 2 29 VAL HA 2 63 ILE MG 4.700 . 4.700 4.589 4.433 4.763 0.063 8 0 "[ . 1 . 2]" 2
2419 2 10 VAL MG1 2 11 THR HA 4.030 . 4.030 3.561 3.476 3.653 . 0 0 "[ . 1 . 2]" 2
2420 2 8 ILE H 2 21 ILE MD 5.480 . 5.480 5.053 4.903 5.175 . 0 0 "[ . 1 . 2]" 2
2421 2 21 ILE MD 2 33 THR HB 4.510 . 4.510 4.309 4.209 4.400 . 0 0 "[ . 1 . 2]" 2
2422 2 8 ILE H 2 21 ILE MG 5.280 . 5.280 4.914 4.735 5.111 . 0 0 "[ . 1 . 2]" 2
2423 2 74 LEU MD1 2 75 VAL H 3.800 . 3.800 3.074 2.899 3.220 . 0 0 "[ . 1 . 2]" 2
2424 2 74 LEU HB3 2 74 LEU MD1 3.270 . 3.270 3.164 3.151 3.181 . 0 0 "[ . 1 . 2]" 2
2425 2 17 GLU QB 2 18 PRO HD2 3.560 . 3.560 2.799 2.191 3.390 . 0 0 "[ . 1 . 2]" 2
2426 2 4 MET HA 2 5 SER H 2.790 . 2.790 2.292 2.099 3.072 0.282 20 0 "[ . 1 . 2]" 2
2427 2 21 ILE HG13 2 34 VAL QG 4.560 . 4.560 4.332 4.170 4.481 . 0 0 "[ . 1 . 2]" 2
2428 2 33 THR MG 2 34 VAL QG 5.030 . 5.030 4.068 4.000 4.164 . 0 0 "[ . 1 . 2]" 2
2429 2 34 VAL QG 2 78 VAL HB 5.100 . 5.100 4.095 3.966 4.262 . 0 0 "[ . 1 . 2]" 2
2430 2 30 LEU HA 2 63 ILE MD 3.150 . 3.150 1.988 1.914 2.140 . 0 0 "[ . 1 . 2]" 2
2431 2 7 ARG HA 2 8 ILE MG 3.980 . 3.980 3.467 3.202 3.632 . 0 0 "[ . 1 . 2]" 2
2432 2 42 CYS H 2 78 VAL MG2 4.040 . 4.040 3.588 3.425 3.764 . 0 0 "[ . 1 . 2]" 2
2433 2 45 ARG H 2 77 VAL QG 4.390 . 4.390 3.935 3.788 4.136 . 0 0 "[ . 1 . 2]" 2
2434 2 31 LEU HA 2 34 VAL QG 4.060 . 4.060 2.764 2.581 2.923 . 0 0 "[ . 1 . 2]" 2
2435 2 31 LEU MD2 2 32 SER HA 4.840 . 4.840 4.693 4.630 4.744 . 0 0 "[ . 1 . 2]" 2
2436 2 60 VAL MG1 2 63 ILE H 3.830 . 3.830 3.332 3.174 3.487 . 0 0 "[ . 1 . 2]" 2
2437 2 57 VAL MG2 2 67 PRO HD3 5.320 . 5.320 4.974 4.509 5.314 . 0 0 "[ . 1 . 2]" 2
2438 2 40 GLY HA2 2 41 ALA MB 4.890 . 4.890 4.764 4.735 4.798 . 0 0 "[ . 1 . 2]" 2
2439 2 21 ILE HG13 2 34 VAL HA 5.010 . 5.010 4.904 4.619 5.054 0.044 10 0 "[ . 1 . 2]" 2
2440 2 7 ARG QG 2 8 ILE H 4.500 . 4.500 4.572 4.538 4.618 0.118 5 0 "[ . 1 . 2]" 2
2441 2 7 ARG H 2 7 ARG QG 4.090 . 4.090 1.983 1.733 2.360 0.067 3 0 "[ . 1 . 2]" 2
2442 2 35 THR MG 2 38 PHE H 5.040 . 5.040 4.855 4.795 4.924 . 0 0 "[ . 1 . 2]" 2
2443 2 59 LEU HA 2 59 LEU HG 4.210 . 4.210 3.107 3.046 3.157 . 0 0 "[ . 1 . 2]" 2
2444 2 36 ALA MB 2 38 PHE H 4.740 . 4.740 4.625 4.371 4.730 . 0 0 "[ . 1 . 2]" 2
2445 2 32 SER HA 2 36 ALA MB 4.550 . 4.550 4.403 4.257 4.611 0.061 8 0 "[ . 1 . 2]" 2
2446 2 59 LEU HG 2 62 GLY H 4.100 . 4.100 2.666 2.442 2.796 . 0 0 "[ . 1 . 2]" 2
2447 2 29 VAL HB 2 64 LEU HB3 4.160 . 4.160 3.698 3.131 3.906 . 0 0 "[ . 1 . 2]" 2
2448 2 63 ILE HG12 2 64 LEU H 5.150 . 5.150 4.933 4.820 5.006 . 0 0 "[ . 1 . 2]" 2
2449 2 82 LYS H 2 82 LYS QD 4.250 . 4.250 3.428 2.639 3.785 . 0 0 "[ . 1 . 2]" 2
2450 2 5 SER H 2 22 PRO HB2 4.300 . 4.300 3.506 2.785 4.334 0.034 9 0 "[ . 1 . 2]" 2
2451 2 13 ASP HA 2 14 GLU QB 4.540 . 4.540 4.382 4.204 4.518 . 0 0 "[ . 1 . 2]" 2
2452 2 12 GLU QG 2 80 TYR QE 4.350 . 4.350 3.143 2.163 4.042 . 0 0 "[ . 1 . 2]" 2
2453 2 21 ILE MG 2 33 THR HA 3.930 . 3.930 3.770 3.586 3.936 0.006 4 0 "[ . 1 . 2]" 2
2454 2 44 LEU HA 2 78 VAL HA 4.060 . 4.060 2.311 2.123 2.475 . 0 0 "[ . 1 . 2]" 2
2455 2 67 PRO HB2 2 69 ALA HA 5.470 . 5.470 5.120 4.801 5.483 0.013 7 0 "[ . 1 . 2]" 2
2456 2 41 ALA HA 2 78 VAL MG2 4.120 . 4.120 4.013 3.880 4.129 0.009 11 0 "[ . 1 . 2]" 2
2457 2 7 ARG QD 2 8 ILE HA 4.130 . 4.130 3.560 3.415 3.776 . 0 0 "[ . 1 . 2]" 2
2458 2 21 ILE MG 2 33 THR HB 3.780 . 3.780 2.631 2.274 2.982 . 0 0 "[ . 1 . 2]" 2
2459 2 66 ALA MB 2 71 TRP HA 4.010 . 4.010 3.151 3.038 3.277 . 0 0 "[ . 1 . 2]" 2
2460 2 75 VAL HB 2 76 TYR HA 4.320 . 4.320 4.376 4.328 4.426 0.106 10 0 "[ . 1 . 2]" 2
2461 2 42 CYS HA 2 78 VAL MG2 4.540 . 4.540 4.255 4.087 4.439 . 0 0 "[ . 1 . 2]" 2
2462 2 20 GLU HA 2 21 ILE H 3.340 . 3.340 2.102 2.050 2.188 . 0 0 "[ . 1 . 2]" 2
2463 2 44 LEU HA 2 78 VAL MG2 4.290 . 4.290 3.423 3.252 3.533 . 0 0 "[ . 1 . 2]" 2
2464 2 10 VAL H 2 19 ILE MD 4.440 . 4.440 3.444 3.144 3.756 . 0 0 "[ . 1 . 2]" 2
2465 2 62 GLY HA3 2 63 ILE MD 4.680 . 4.680 4.310 4.113 4.560 . 0 0 "[ . 1 . 2]" 2
2466 2 8 ILE H 2 21 ILE HG12 5.450 . 5.450 5.309 5.094 5.405 . 0 0 "[ . 1 . 2]" 2
2467 2 44 LEU HA 2 78 VAL HB 4.860 . 4.860 4.545 4.382 4.689 . 0 0 "[ . 1 . 2]" 2
2468 2 38 PHE HD1 2 78 VAL HB 5.050 . 5.050 4.454 4.354 4.639 . 0 0 "[ . 1 . 2]" 2
2469 2 5 SER H 2 7 ARG QG 5.500 . 5.500 5.292 4.709 5.598 0.098 19 0 "[ . 1 . 2]" 2
2470 2 7 ARG QG 2 23 SER H 5.500 . 5.500 5.371 5.112 5.526 0.026 15 0 "[ . 1 . 2]" 2
2471 2 33 THR H 2 35 THR MG 5.500 . 5.500 5.469 5.348 5.538 0.038 11 0 "[ . 1 . 2]" 2
2472 2 35 THR MG 2 42 CYS H 5.010 . 5.010 4.902 4.714 5.029 0.019 8 0 "[ . 1 . 2]" 2
2473 2 44 LEU HG 2 78 VAL MG2 4.900 . 4.900 3.394 2.806 3.993 . 0 0 "[ . 1 . 2]" 2
2474 2 34 VAL HB 2 36 ALA MB 5.500 . 5.500 5.666 5.611 5.695 0.195 10 0 "[ . 1 . 2]" 2
2475 2 29 VAL HB 2 64 LEU HB2 3.900 . 3.900 2.584 2.126 2.704 . 0 0 "[ . 1 . 2]" 2
2476 2 6 GLU HA 2 7 ARG QB 4.900 . 4.900 4.696 4.448 4.830 . 0 0 "[ . 1 . 2]" 2
2477 2 30 LEU HA 2 31 LEU HB2 4.770 . 4.770 4.595 4.541 4.655 . 0 0 "[ . 1 . 2]" 2
2478 2 57 VAL HB 2 67 PRO HD3 4.600 . 4.600 3.632 3.117 4.055 . 0 0 "[ . 1 . 2]" 2
2479 2 80 TYR HA 2 81 PRO HG2 4.450 . 4.450 4.390 4.305 4.481 0.031 12 0 "[ . 1 . 2]" 2
2480 2 46 TYR HB3 2 74 LEU MD1 4.770 . 4.770 4.436 4.067 4.713 . 0 0 "[ . 1 . 2]" 2
2481 2 28 THR HB 2 63 ILE HB 5.500 . 5.500 5.221 4.882 5.486 . 0 0 "[ . 1 . 2]" 2
2482 2 35 THR HA 2 78 VAL MG2 5.500 . 5.500 5.645 5.547 5.750 0.250 18 0 "[ . 1 . 2]" 2
2483 2 39 PRO HB2 2 40 GLY HA3 4.850 . 4.850 4.485 4.443 4.524 . 0 0 "[ . 1 . 2]" 2
2484 2 33 THR HB 2 34 VAL HB 5.130 . 5.130 4.990 4.869 5.106 . 0 0 "[ . 1 . 2]" 2
2485 2 40 GLY HA3 2 80 TYR QE 5.330 . 5.330 4.624 4.266 4.890 . 0 0 "[ . 1 . 2]" 2
2486 2 6 GLU HA 2 8 ILE MG 5.120 . 5.120 4.940 4.761 5.194 0.074 1 0 "[ . 1 . 2]" 2
2487 2 44 LEU HA 2 57 VAL H 5.400 . 5.400 5.156 5.026 5.326 . 0 0 "[ . 1 . 2]" 2
2488 2 29 VAL MG2 2 33 THR H 5.500 . 5.500 5.362 5.144 5.549 0.049 18 0 "[ . 1 . 2]" 2
2489 2 7 ARG QD 2 8 ILE HB 5.500 . 5.500 5.686 5.589 5.838 0.338 9 0 "[ . 1 . 2]" 2
2490 2 7 ARG QD 2 20 GLU QG 4.610 . 4.610 3.753 2.986 4.578 . 0 0 "[ . 1 . 2]" 2
2491 2 6 GLU QG 2 8 ILE MG 4.790 . 4.790 2.724 2.479 2.934 . 0 0 "[ . 1 . 2]" 2
2492 2 7 ARG QD 2 8 ILE MG 4.440 . 4.440 4.103 3.926 4.265 . 0 0 "[ . 1 . 2]" 2
2493 2 48 ASN HB3 2 53 CYS HA 5.500 . 5.500 5.036 4.758 5.306 . 0 0 "[ . 1 . 2]" 2
2494 2 11 THR HB 2 38 PHE HE2 5.500 . 5.500 4.853 4.254 5.447 . 0 0 "[ . 1 . 2]" 2
2495 2 11 THR HA 2 38 PHE HZ 3.760 . 3.760 2.582 2.155 3.003 . 0 0 "[ . 1 . 2]" 2
2496 2 30 LEU HA 2 33 THR H 4.870 . 4.870 4.490 4.421 4.609 . 0 0 "[ . 1 . 2]" 2
2497 2 18 PRO HG2 2 19 ILE H 5.500 . 5.500 5.200 4.596 5.716 0.216 11 0 "[ . 1 . 2]" 2
2498 2 18 PRO HG3 2 19 ILE H 5.500 . 5.500 5.383 5.108 5.724 0.224 17 0 "[ . 1 . 2]" 2
2499 2 22 PRO HB2 2 29 VAL MG2 5.500 . 5.500 5.491 5.319 5.609 0.109 4 0 "[ . 1 . 2]" 2
2500 2 21 ILE HB 2 33 THR HB 4.510 . 4.510 4.597 4.564 4.641 0.131 20 0 "[ . 1 . 2]" 2
2501 2 34 VAL HA 2 78 VAL MG2 5.410 . 5.410 5.163 4.954 5.319 . 0 0 "[ . 1 . 2]" 2
2502 2 34 VAL HB 2 78 VAL MG2 5.280 . 5.280 5.009 4.867 5.185 . 0 0 "[ . 1 . 2]" 2
2503 2 71 TRP HB3 2 72 GLY H 5.000 . 5.000 3.998 3.785 4.168 . 0 0 "[ . 1 . 2]" 2
2504 2 65 HIS H 2 65 HIS HD2 4.010 . 4.010 3.459 3.204 3.956 . 0 0 "[ . 1 . 2]" 2
2505 2 63 ILE HA 2 65 HIS HD2 4.930 . 4.930 4.784 4.533 4.989 0.059 10 0 "[ . 1 . 2]" 2
2506 2 71 TRP H 2 71 TRP HD1 3.340 . 3.340 3.133 2.952 3.321 . 0 0 "[ . 1 . 2]" 2
2507 2 71 TRP HB3 2 71 TRP HD1 3.850 . 3.850 3.653 3.570 3.700 . 0 0 "[ . 1 . 2]" 2
2508 2 71 TRP HB2 2 71 TRP HD1 3.420 . 3.420 2.549 2.526 2.561 . 0 0 "[ . 1 . 2]" 2
2509 2 8 ILE MD 2 71 TRP HD1 4.900 . 4.900 4.858 4.522 5.003 0.103 4 0 "[ . 1 . 2]" 2
2510 2 29 VAL H 2 71 TRP HZ2 3.910 . 3.910 2.408 2.289 2.501 . 0 0 "[ . 1 . 2]" 2
2511 2 64 LEU HB2 2 71 TRP HZ2 4.250 . 4.250 3.922 3.835 4.052 . 0 0 "[ . 1 . 2]" 2
2512 2 29 VAL MG2 2 71 TRP HZ2 3.740 . 3.740 3.586 3.272 3.717 . 0 0 "[ . 1 . 2]" 2
2513 2 46 TYR H 2 46 TYR QD 3.540 . 3.540 2.582 2.276 2.877 . 0 0 "[ . 1 . 2]" 2
2514 2 46 TYR QD 2 48 ASN HA 4.250 . 4.250 3.403 2.874 3.810 . 0 0 "[ . 1 . 2]" 2
2515 2 29 VAL H 2 71 TRP HH2 4.380 . 4.380 3.063 2.924 3.168 . 0 0 "[ . 1 . 2]" 2
2516 2 64 LEU HB3 2 71 TRP HH2 4.220 . 4.220 1.938 1.772 2.066 0.028 12 0 "[ . 1 . 2]" 2
2517 2 64 LEU HB2 2 71 TRP HH2 3.290 . 3.290 2.338 2.242 2.570 . 0 0 "[ . 1 . 2]" 2
2518 2 29 VAL MG2 2 71 TRP HH2 4.360 . 4.360 4.247 3.907 4.436 0.076 6 0 "[ . 1 . 2]" 2
2519 2 71 TRP HA 2 71 TRP HZ3 4.860 . 4.860 4.705 4.469 4.892 0.032 19 0 "[ . 1 . 2]" 2
2520 2 35 THR HA 2 38 PHE HD1 4.200 . 4.200 4.189 4.083 4.265 0.065 1 0 "[ . 1 . 2]" 2
2521 2 38 PHE HD1 2 41 ALA MB 3.410 . 3.410 2.850 2.674 3.021 . 0 0 "[ . 1 . 2]" 2
2522 2 19 ILE MD 2 38 PHE HD1 4.280 . 4.280 3.961 3.607 4.211 . 0 0 "[ . 1 . 2]" 2
2523 2 38 PHE HD1 2 78 VAL MG2 3.610 . 3.610 2.834 2.707 2.960 . 0 0 "[ . 1 . 2]" 2
2524 2 38 PHE HE1 2 78 VAL HB 3.390 . 3.390 3.060 2.910 3.198 . 0 0 "[ . 1 . 2]" 2
2525 2 10 VAL MG2 2 38 PHE HE1 3.310 . 3.310 3.353 3.286 3.388 0.078 19 0 "[ . 1 . 2]" 2
2526 2 19 ILE MD 2 38 PHE HE1 3.430 . 3.430 2.502 2.244 2.756 . 0 0 "[ . 1 . 2]" 2
2527 2 38 PHE HE1 2 78 VAL MG2 3.300 . 3.300 3.024 2.851 3.211 . 0 0 "[ . 1 . 2]" 2
2528 2 38 PHE HE1 2 78 VAL MG1 3.750 . 3.750 3.512 3.323 3.629 . 0 0 "[ . 1 . 2]" 2
2529 2 19 ILE HG12 2 38 PHE HZ 3.640 . 3.640 2.910 2.631 3.094 . 0 0 "[ . 1 . 2]" 2
2530 2 10 VAL MG2 2 38 PHE HZ 3.510 . 3.510 2.912 2.800 2.994 . 0 0 "[ . 1 . 2]" 2
2531 2 19 ILE MD 2 38 PHE HZ 3.870 . 3.870 2.696 2.433 3.056 . 0 0 "[ . 1 . 2]" 2
2532 2 40 GLY H 2 80 TYR QE 4.390 . 4.390 4.222 4.020 4.399 0.009 1 0 "[ . 1 . 2]" 2
2533 2 41 ALA H 2 80 TYR QE 3.340 . 3.340 3.156 2.979 3.379 0.039 18 0 "[ . 1 . 2]" 2
2534 2 12 GLU H 2 38 PHE HE2 3.890 . 3.890 3.603 3.006 3.936 0.046 12 0 "[ . 1 . 2]" 2
2535 2 38 PHE QB 2 38 PHE HE2 4.750 . 4.750 4.500 4.470 4.528 . 0 0 "[ . 1 . 2]" 2
2536 2 19 ILE HG12 2 38 PHE HE2 3.660 . 3.660 3.233 2.913 3.577 . 0 0 "[ . 1 . 2]" 2
2537 2 38 PHE HE2 2 78 VAL MG1 3.490 . 3.490 2.846 2.727 2.950 . 0 0 "[ . 1 . 2]" 2
2538 2 12 GLU HA 2 80 TYR QD 5.000 . 5.000 4.603 4.134 5.011 0.011 4 0 "[ . 1 . 2]" 2
2539 2 11 THR H 2 76 TYR QD 5.500 . 5.500 5.345 4.738 5.677 0.177 3 0 "[ . 1 . 2]" 2
2540 2 28 THR HB 2 71 TRP HZ2 5.280 . 5.280 4.216 4.087 4.405 . 0 0 "[ . 1 . 2]" 2
2541 2 66 ALA HA 2 71 TRP HZ2 5.070 . 5.070 4.891 4.764 4.995 . 0 0 "[ . 1 . 2]" 2
2542 2 8 ILE MG 2 71 TRP HE3 4.460 . 4.460 3.598 3.274 3.988 . 0 0 "[ . 1 . 2]" 2
2543 2 71 TRP HA 2 71 TRP HE3 4.600 . 4.600 2.491 2.220 2.690 . 0 0 "[ . 1 . 2]" 2
2544 2 64 LEU HA 2 71 TRP HH2 4.440 . 4.440 3.830 3.562 3.991 . 0 0 "[ . 1 . 2]" 2
2545 2 29 VAL HA 2 71 TRP HH2 5.430 . 5.430 5.161 4.979 5.408 . 0 0 "[ . 1 . 2]" 2
2546 2 66 ALA MB 2 71 TRP HH2 4.410 . 4.410 3.792 3.590 3.912 . 0 0 "[ . 1 . 2]" 2
2547 2 8 ILE MD 2 71 TRP HZ3 4.860 . 4.860 4.222 3.831 4.592 . 0 0 "[ . 1 . 2]" 2
2548 2 66 ALA HA 2 71 TRP HZ3 4.530 . 4.530 3.620 3.425 3.796 . 0 0 "[ . 1 . 2]" 2
2549 2 71 TRP HZ3 2 74 LEU MD1 4.660 . 4.660 3.088 2.933 3.240 . 0 0 "[ . 1 . 2]" 2
2550 2 19 ILE H 2 38 PHE HZ 4.550 . 4.550 4.196 3.591 4.371 . 0 0 "[ . 1 . 2]" 2
2551 2 45 ARG HA 2 46 TYR QE 4.410 . 4.410 4.296 3.732 4.567 0.157 8 0 "[ . 1 . 2]" 2
2552 2 66 ALA HA 2 71 TRP HE3 4.630 . 4.630 3.995 3.873 4.146 . 0 0 "[ . 1 . 2]" 2
2553 2 6 GLU QG 2 71 TRP HD1 3.740 . 3.740 2.389 1.942 2.713 . 0 0 "[ . 1 . 2]" 2
2554 2 46 TYR QD 2 48 ASN H 4.610 . 4.610 4.470 3.912 4.672 0.062 15 0 "[ . 1 . 2]" 2
2555 1 4 MET QB 1 5 SER H 4.190 . 4.190 3.208 1.896 4.019 . 0 0 "[ . 1 . 2]" 2
2556 1 6 GLU H 1 6 GLU QB 3.630 . 3.630 2.244 2.006 2.396 . 0 0 "[ . 1 . 2]" 2
2557 1 6 GLU QB 1 7 TYR H 3.800 . 3.800 2.892 2.273 3.487 . 0 0 "[ . 1 . 2]" 2
2558 1 6 GLU QB 1 23 SER H 4.760 . 4.760 3.862 3.085 4.314 . 0 0 "[ . 1 . 2]" 2
2559 1 7 TYR H 1 23 SER QB 5.270 . 5.270 4.626 3.890 5.404 0.134 9 0 "[ . 1 . 2]" 2
2560 1 8 ILE H 1 23 SER QB 5.150 . 5.150 4.654 3.947 5.087 . 0 0 "[ . 1 . 2]" 2
2561 1 8 ILE HB 1 44 LEU QD 4.400 . 4.400 4.183 3.758 4.375 . 0 0 "[ . 1 . 2]" 2
2562 1 8 ILE MG 1 23 SER QB 3.810 . 3.810 2.748 2.057 3.194 . 0 0 "[ . 1 . 2]" 2
2563 1 8 ILE MG 1 44 LEU QD 4.230 . 4.230 4.069 3.765 4.244 0.014 9 0 "[ . 1 . 2]" 2
2564 1 8 ILE HG12 1 23 SER QB 5.280 . 5.280 5.108 4.410 5.384 0.104 4 0 "[ . 1 . 2]" 2
2565 1 8 ILE HG13 1 10 VAL QG 5.010 . 5.010 2.071 1.858 3.167 . 0 0 "[ . 1 . 2]" 2
2566 1 8 ILE HG13 1 44 LEU QD 4.880 . 4.880 3.839 3.374 4.148 . 0 0 "[ . 1 . 2]" 2
2567 1 8 ILE MD 1 23 SER QB 4.040 . 4.040 3.944 3.485 4.198 0.158 20 0 "[ . 1 . 2]" 2
2568 1 8 ILE MD 1 44 LEU QD 2.790 . 2.790 2.399 2.140 2.624 . 0 0 "[ . 1 . 2]" 2
2569 1 9 ARG H 1 10 VAL QG 4.830 . 4.830 3.974 3.738 4.860 0.030 7 0 "[ . 1 . 2]" 2
2570 1 10 VAL H 1 10 VAL QG 3.130 . 3.130 2.157 1.950 2.601 . 0 0 "[ . 1 . 2]" 2
2571 1 10 VAL HA 1 78 VAL QG 5.440 . 5.440 4.943 3.992 5.417 . 0 0 "[ . 1 . 2]" 2
2572 1 10 VAL HB 1 78 VAL QG 4.520 . 4.520 3.697 2.067 4.705 0.185 7 0 "[ . 1 . 2]" 2
2573 1 10 VAL QG 1 11 THR H 3.390 . 3.390 2.705 1.816 3.366 . 0 0 "[ . 1 . 2]" 2
2574 1 10 VAL QG 1 11 THR HA 3.980 . 3.980 3.403 3.098 3.698 . 0 0 "[ . 1 . 2]" 2
2575 1 10 VAL QG 1 12 GLU HA 5.080 . 5.080 4.421 3.703 5.078 . 0 0 "[ . 1 . 2]" 2
2576 1 10 VAL QG 1 19 ILE H 5.130 . 5.130 3.810 3.124 4.573 . 0 0 "[ . 1 . 2]" 2
2577 1 10 VAL QG 1 76 TYR HB2 3.860 . 3.860 2.191 1.957 3.244 . 0 0 "[ . 1 . 2]" 2
2578 1 10 VAL QG 1 76 TYR HB3 5.100 . 5.100 2.475 1.999 2.848 . 0 0 "[ . 1 . 2]" 2
2579 1 10 VAL QG 1 77 VAL HA 4.260 . 4.260 3.402 2.484 4.199 . 0 0 "[ . 1 . 2]" 2
2580 1 10 VAL QG 1 78 VAL H 3.880 . 3.880 3.063 2.043 3.938 0.058 1 0 "[ . 1 . 2]" 2
2581 1 10 VAL QG 1 78 VAL HA 4.690 . 4.690 3.469 2.642 4.212 . 0 0 "[ . 1 . 2]" 2
2582 1 10 VAL QG 1 78 VAL HB 4.190 . 4.190 2.785 1.814 4.253 0.063 19 0 "[ . 1 . 2]" 2
2583 1 10 VAL QG 1 78 VAL QG 3.320 . 3.320 2.694 2.145 3.346 0.026 5 0 "[ . 1 . 2]" 2
2584 1 11 THR H 1 78 VAL QG 4.070 . 4.070 3.759 2.799 4.207 0.137 11 0 "[ . 1 . 2]" 2
2585 1 11 THR HA 1 78 VAL QG 4.410 . 4.410 4.307 4.039 4.449 0.039 2 0 "[ . 1 . 2]" 2
2586 1 11 THR HB 1 18 PRO QB 5.340 . 5.340 4.690 4.275 5.234 . 0 0 "[ . 1 . 2]" 2
2587 1 12 GLU H 1 78 VAL QG 3.890 . 3.890 3.680 3.447 4.016 0.126 1 0 "[ . 1 . 2]" 2
2588 1 12 GLU HA 1 78 VAL QG 3.390 . 3.390 2.134 1.684 3.398 0.116 14 0 "[ . 1 . 2]" 2
2589 1 12 GLU HB2 1 78 VAL QG 4.810 . 4.810 3.458 3.023 4.597 . 0 0 "[ . 1 . 2]" 2
2590 1 12 GLU HB3 1 78 VAL QG 3.660 . 3.660 2.664 2.320 3.689 0.029 8 0 "[ . 1 . 2]" 2
2591 1 12 GLU QG 1 78 VAL QG 4.270 . 4.270 3.993 3.762 4.488 0.218 8 0 "[ . 1 . 2]" 2
2592 1 13 ASP H 1 13 ASP QB 3.520 . 3.520 2.623 2.448 2.991 . 0 0 "[ . 1 . 2]" 2
2593 1 13 ASP H 1 78 VAL QG 5.440 . 5.440 4.861 4.543 5.600 0.160 1 0 "[ . 1 . 2]" 2
2594 1 13 ASP QB 1 14 GLU H 4.140 . 4.140 3.542 3.020 3.770 . 0 0 "[ . 1 . 2]" 2
2595 1 13 ASP QB 1 14 GLU HA 5.110 . 5.110 4.822 4.528 5.008 . 0 0 "[ . 1 . 2]" 2
2596 1 13 ASP QB 1 15 ASN H 3.040 . 3.040 3.103 2.568 3.367 0.327 5 0 "[ . 1 . 2]" 2
2597 1 13 ASP QB 1 15 ASN HD21 3.850 . 3.850 3.723 2.520 4.013 0.163 19 0 "[ . 1 . 2]" 2
2598 1 14 GLU QB 1 15 ASN QB 5.340 . 5.340 5.153 4.425 5.367 0.027 11 0 "[ . 1 . 2]" 2
2599 1 14 GLU QG 1 15 ASN QB 4.580 . 4.580 3.896 2.843 4.286 . 0 0 "[ . 1 . 2]" 2
2600 1 15 ASN H 1 15 ASN QB 3.140 . 3.140 2.539 2.359 2.777 . 0 0 "[ . 1 . 2]" 2
2601 1 15 ASN QB 1 15 ASN HD21 3.030 . 3.030 2.188 2.154 2.220 . 0 0 "[ . 1 . 2]" 2
2602 1 15 ASN QB 1 15 ASN HD22 3.330 . 3.330 3.275 3.260 3.288 . 0 0 "[ . 1 . 2]" 2
2603 1 15 ASN QB 1 16 ASP H 4.100 . 4.100 3.176 2.745 3.952 . 0 0 "[ . 1 . 2]" 2
2604 1 16 ASP H 1 16 ASP QB 3.400 . 3.400 2.433 2.242 3.096 . 0 0 "[ . 1 . 2]" 2
2605 1 16 ASP QB 1 17 GLU H 3.010 . 3.010 2.135 1.733 2.664 0.067 15 0 "[ . 1 . 2]" 2
2606 1 16 ASP QB 1 17 GLU QB 4.160 . 4.160 3.844 3.442 4.199 0.039 12 0 "[ . 1 . 2]" 2
2607 1 19 ILE HB 1 78 VAL QG 5.440 . 5.440 4.970 4.235 5.322 . 0 0 "[ . 1 . 2]" 2
2608 1 19 ILE MG 1 78 VAL QG 5.440 . 5.440 5.021 4.391 5.419 . 0 0 "[ . 1 . 2]" 2
2609 1 21 ILE MG 1 23 SER QB 5.340 . 5.340 4.639 4.068 5.237 . 0 0 "[ . 1 . 2]" 2
2610 1 23 SER QB 1 24 GLU H 3.610 . 3.610 2.416 2.085 3.391 . 0 0 "[ . 1 . 2]" 2
2611 1 23 SER QB 1 28 THR H 5.050 . 5.050 4.163 3.526 5.060 0.010 13 0 "[ . 1 . 2]" 2
2612 1 23 SER QB 1 29 VAL HA 4.510 . 4.510 3.160 2.414 3.869 . 0 0 "[ . 1 . 2]" 2
2613 1 23 SER QB 1 29 VAL MG1 4.550 . 4.550 3.872 3.452 4.151 . 0 0 "[ . 1 . 2]" 2
2614 1 23 SER QB 1 29 VAL MG2 3.220 . 3.220 2.195 1.962 2.349 . 0 0 "[ . 1 . 2]" 2
2615 1 23 SER QB 1 30 LEU H 5.340 . 5.340 4.877 4.213 5.493 0.153 5 0 "[ . 1 . 2]" 2
2616 1 23 SER QB 1 71 TRP HE1 3.960 . 3.960 3.556 3.053 3.971 0.011 5 0 "[ . 1 . 2]" 2
2617 1 26 ASP H 1 26 ASP QB 3.180 . 3.180 2.258 2.213 2.542 . 0 0 "[ . 1 . 2]" 2
2618 1 26 ASP H 1 27 GLY QA 4.730 . 4.730 4.504 4.420 4.615 . 0 0 "[ . 1 . 2]" 2
2619 1 26 ASP QB 1 27 GLY H 4.070 . 4.070 3.143 3.056 3.794 . 0 0 "[ . 1 . 2]" 2
2620 1 26 ASP QB 1 27 GLY QA 5.180 . 5.180 4.274 4.045 4.507 . 0 0 "[ . 1 . 2]" 2
2621 1 26 ASP QB 1 28 THR H 4.700 . 4.700 2.881 2.659 4.239 . 0 0 "[ . 1 . 2]" 2
2622 1 27 GLY QA 1 28 THR MG 4.810 . 4.810 3.699 3.543 3.919 . 0 0 "[ . 1 . 2]" 2
2623 1 27 GLY QA 1 71 TRP HE1 3.940 . 3.940 3.536 3.114 3.801 . 0 0 "[ . 1 . 2]" 2
2624 1 30 LEU HA 1 31 LEU QB 4.670 . 4.670 4.024 3.982 4.059 . 0 0 "[ . 1 . 2]" 2
2625 1 30 LEU HA 1 64 LEU QD 4.140 . 4.140 3.821 3.490 4.376 0.236 6 0 "[ . 1 . 2]" 2
2626 1 31 LEU H 1 31 LEU QB 3.330 . 3.330 2.208 2.184 2.225 . 0 0 "[ . 1 . 2]" 2
2627 1 31 LEU H 1 64 LEU QD 4.070 . 4.070 3.257 2.805 3.960 . 0 0 "[ . 1 . 2]" 2
2628 1 31 LEU HA 1 64 LEU QD 3.490 . 3.490 2.855 2.528 3.210 . 0 0 "[ . 1 . 2]" 2
2629 1 31 LEU QB 1 31 LEU MD2 3.010 . 3.010 2.092 2.085 2.095 . 0 0 "[ . 1 . 2]" 2
2630 1 31 LEU QB 1 32 SER H 4.400 . 4.400 2.808 2.729 2.943 . 0 0 "[ . 1 . 2]" 2
2631 1 31 LEU QB 1 35 THR MG 5.230 . 5.230 3.899 3.762 3.997 . 0 0 "[ . 1 . 2]" 2
2632 1 31 LEU QB 1 62 GLY HA3 4.790 . 4.790 3.031 2.656 3.310 . 0 0 "[ . 1 . 2]" 2
2633 1 31 LEU QB 1 63 ILE HA 4.800 . 4.800 4.316 4.123 4.459 . 0 0 "[ . 1 . 2]" 2
2634 1 31 LEU QB 1 64 LEU QD 3.630 . 3.630 2.749 2.151 3.358 . 0 0 "[ . 1 . 2]" 2
2635 1 31 LEU MD1 1 42 CYS QB 5.070 . 5.070 2.332 2.013 2.844 . 0 0 "[ . 1 . 2]" 2
2636 1 31 LEU MD2 1 42 CYS QB 3.640 . 3.640 2.265 2.070 2.600 . 0 0 "[ . 1 . 2]" 2
2637 1 34 VAL HA 1 78 VAL QG 4.500 . 4.500 4.345 3.748 4.557 0.057 9 0 "[ . 1 . 2]" 2
2638 1 34 VAL HB 1 78 VAL QG 4.610 . 4.610 4.228 3.849 4.409 . 0 0 "[ . 1 . 2]" 2
2639 1 34 VAL MG1 1 78 VAL QG 2.780 . 2.780 2.036 1.768 2.170 0.032 8 0 "[ . 1 . 2]" 2
2640 1 34 VAL MG2 1 78 VAL QG 3.820 . 3.820 3.649 3.069 3.896 0.076 15 0 "[ . 1 . 2]" 2
2641 1 35 THR HA 1 39 PRO QD 5.350 . 5.350 5.037 4.780 5.194 . 0 0 "[ . 1 . 2]" 2
2642 1 35 THR HA 1 78 VAL QG 5.410 . 5.410 4.858 4.617 5.048 . 0 0 "[ . 1 . 2]" 2
2643 1 37 GLN QB 1 39 PRO QD 5.350 . 5.350 4.704 4.327 5.194 . 0 0 "[ . 1 . 2]" 2
2644 1 38 PHE H 1 39 PRO QD 4.100 . 4.100 3.610 3.280 3.836 . 0 0 "[ . 1 . 2]" 2
2645 1 38 PHE H 1 78 VAL QG 4.710 . 4.710 4.598 4.469 4.738 0.028 7 0 "[ . 1 . 2]" 2
2646 1 38 PHE HA 1 78 VAL QG 4.840 . 4.840 4.341 4.034 4.769 . 0 0 "[ . 1 . 2]" 2
2647 1 38 PHE QB 1 39 PRO QD 4.590 . 4.590 3.532 3.358 3.703 . 0 0 "[ . 1 . 2]" 2
2648 1 38 PHE QB 1 78 VAL QG 3.280 . 3.280 2.372 2.122 2.574 . 0 0 "[ . 1 . 2]" 2
2649 1 38 PHE QD 1 78 VAL QG 3.790 . 3.790 2.403 2.128 2.562 . 0 0 "[ . 1 . 2]" 2
2650 1 38 PHE HZ 1 78 VAL QG 5.210 . 5.210 3.602 2.880 4.049 . 0 0 "[ . 1 . 2]" 2
2651 1 38 PHE HE2 1 78 VAL QG 4.460 . 4.460 3.569 3.126 4.363 . 0 0 "[ . 1 . 2]" 2
2652 1 39 PRO QD 1 40 GLY H 4.960 . 4.960 4.882 4.793 4.961 0.001 19 0 "[ . 1 . 2]" 2
2653 1 39 PRO QD 1 41 ALA MB 4.800 . 4.800 4.316 4.121 4.483 . 0 0 "[ . 1 . 2]" 2
2654 1 41 ALA HA 1 42 CYS QB 5.010 . 5.010 4.399 4.306 4.485 . 0 0 "[ . 1 . 2]" 2
2655 1 41 ALA HA 1 78 VAL QG 4.540 . 4.540 4.036 3.772 4.321 . 0 0 "[ . 1 . 2]" 2
2656 1 41 ALA MB 1 42 CYS QB 5.110 . 5.110 4.527 4.431 4.645 . 0 0 "[ . 1 . 2]" 2
2657 1 41 ALA MB 1 78 VAL QG 2.840 . 2.840 2.043 1.868 2.252 . 0 0 "[ . 1 . 2]" 2
2658 1 42 CYS H 1 78 VAL QG 3.840 . 3.840 3.558 3.326 3.726 . 0 0 "[ . 1 . 2]" 2
2659 1 42 CYS QB 1 43 GLY H 4.180 . 4.180 2.728 2.685 2.773 . 0 0 "[ . 1 . 2]" 2
2660 1 42 CYS QB 1 43 GLY HA3 5.120 . 5.120 4.280 4.186 4.351 . 0 0 "[ . 1 . 2]" 2
2661 1 42 CYS QB 1 79 ASN HB2 5.340 . 5.340 5.202 5.090 5.439 0.099 18 0 "[ . 1 . 2]" 2
2662 1 43 GLY H 1 64 LEU QD 3.890 . 3.890 3.382 3.006 3.671 . 0 0 "[ . 1 . 2]" 2
2663 1 43 GLY H 1 78 VAL QG 4.180 . 4.180 4.163 4.036 4.252 0.072 18 0 "[ . 1 . 2]" 2
2664 1 43 GLY HA2 1 64 LEU QD 3.670 . 3.670 2.933 2.458 3.260 . 0 0 "[ . 1 . 2]" 2
2665 1 43 GLY HA3 1 45 ARG QG 5.340 . 5.340 5.106 4.902 5.272 . 0 0 "[ . 1 . 2]" 2
2666 1 43 GLY HA3 1 64 LEU QD 4.710 . 4.710 4.297 3.921 4.493 . 0 0 "[ . 1 . 2]" 2
2667 1 44 LEU H 1 45 ARG QD 5.340 . 5.340 5.156 4.427 5.634 0.294 3 0 "[ . 1 . 2]" 2
2668 1 44 LEU H 1 64 LEU QD 3.770 . 3.770 3.477 3.099 3.762 . 0 0 "[ . 1 . 2]" 2
2669 1 44 LEU H 1 78 VAL QG 5.440 . 5.440 5.244 5.074 5.427 . 0 0 "[ . 1 . 2]" 2
2670 1 44 LEU HA 1 44 LEU QD 3.050 . 3.050 2.307 1.989 2.878 . 0 0 "[ . 1 . 2]" 2
2671 1 44 LEU HA 1 45 ARG QG 3.730 . 3.730 3.656 3.524 3.771 0.041 16 0 "[ . 1 . 2]" 2
2672 1 44 LEU HA 1 78 VAL QG 4.110 . 4.110 3.757 3.538 3.922 . 0 0 "[ . 1 . 2]" 2
2673 1 44 LEU QD 1 45 ARG H 3.260 . 3.260 2.114 1.898 2.292 . 0 0 "[ . 1 . 2]" 2
2674 1 44 LEU QD 1 45 ARG HA 4.370 . 4.370 3.908 2.880 4.398 0.028 5 0 "[ . 1 . 2]" 2
2675 1 44 LEU QD 1 45 ARG QD 5.280 . 5.280 5.090 4.196 5.509 0.229 18 0 "[ . 1 . 2]" 2
2676 1 44 LEU QD 1 46 TYR HB3 4.270 . 4.270 3.686 2.618 4.297 0.027 1 0 "[ . 1 . 2]" 2
2677 1 44 LEU QD 1 46 TYR QD 5.030 . 5.030 3.790 2.699 4.513 . 0 0 "[ . 1 . 2]" 2
2678 1 44 LEU QD 1 57 VAL H 4.380 . 4.380 3.957 3.303 4.340 . 0 0 "[ . 1 . 2]" 2
2679 1 44 LEU QD 1 57 VAL HB 3.710 . 3.710 3.066 2.896 3.294 . 0 0 "[ . 1 . 2]" 2
2680 1 44 LEU QD 1 57 VAL MG1 3.450 . 3.450 2.874 2.546 3.269 . 0 0 "[ . 1 . 2]" 2
2681 1 44 LEU QD 1 57 VAL MG2 2.930 . 2.930 1.919 1.708 2.063 0.092 11 0 "[ . 1 . 2]" 2
2682 1 44 LEU QD 1 64 LEU HB2 4.490 . 4.490 3.917 3.558 4.504 0.014 7 0 "[ . 1 . 2]" 2
2683 1 44 LEU QD 1 71 TRP HE3 4.130 . 4.130 3.502 3.295 3.885 . 0 0 "[ . 1 . 2]" 2
2684 1 44 LEU QD 1 71 TRP HH2 3.810 . 3.810 3.077 2.718 3.822 0.012 7 0 "[ . 1 . 2]" 2
2685 1 44 LEU QD 1 76 TYR HA 3.640 . 3.640 3.375 2.646 3.702 0.062 1 0 "[ . 1 . 2]" 2
2686 1 44 LEU QD 1 76 TYR HB2 3.940 . 3.940 2.793 2.510 3.119 . 0 0 "[ . 1 . 2]" 2
2687 1 44 LEU QD 1 76 TYR HB3 3.370 . 3.370 1.815 1.728 1.881 0.072 7 0 "[ . 1 . 2]" 2
2688 1 44 LEU QD 1 77 VAL H 3.890 . 3.890 2.584 2.084 2.800 . 0 0 "[ . 1 . 2]" 2
2689 1 44 LEU QD 1 78 VAL HA 4.530 . 4.530 2.777 2.216 3.994 . 0 0 "[ . 1 . 2]" 2
2690 1 44 LEU QD 1 79 ASN HD21 5.380 . 5.380 4.328 3.995 5.018 . 0 0 "[ . 1 . 2]" 2
2691 1 45 ARG H 1 45 ARG QB 3.230 . 3.230 2.562 2.489 2.669 . 0 0 "[ . 1 . 2]" 2
2692 1 45 ARG H 1 45 ARG QG 3.590 . 3.590 2.892 2.723 3.161 . 0 0 "[ . 1 . 2]" 2
2693 1 45 ARG H 1 45 ARG QD 4.810 . 4.810 4.104 3.247 4.838 0.028 7 0 "[ . 1 . 2]" 2
2694 1 45 ARG HA 1 45 ARG QG 3.560 . 3.560 2.634 2.313 2.996 . 0 0 "[ . 1 . 2]" 2
2695 1 45 ARG HA 1 45 ARG QD 4.400 . 4.400 3.277 2.065 4.229 . 0 0 "[ . 1 . 2]" 2
2696 1 45 ARG QB 1 46 TYR H 4.080 . 4.080 2.498 2.280 2.825 . 0 0 "[ . 1 . 2]" 2
2697 1 45 ARG QB 1 46 TYR HB3 5.230 . 5.230 4.772 4.623 4.976 . 0 0 "[ . 1 . 2]" 2
2698 1 45 ARG QG 1 56 GLY HA2 4.050 . 4.050 3.392 2.275 4.135 0.085 14 0 "[ . 1 . 2]" 2
2699 1 45 ARG QG 1 77 VAL H 5.340 . 5.340 4.930 4.582 5.455 0.115 20 0 "[ . 1 . 2]" 2
2700 1 45 ARG QG 1 79 ASN HD21 4.080 . 4.080 2.605 2.408 2.764 . 0 0 "[ . 1 . 2]" 2
2701 1 45 ARG QG 1 79 ASN HD22 4.090 . 4.090 1.796 1.705 2.128 0.095 20 0 "[ . 1 . 2]" 2
2702 1 45 ARG QD 1 46 TYR H 4.870 . 4.870 4.273 3.347 4.925 0.055 11 0 "[ . 1 . 2]" 2
2703 1 45 ARG QD 1 79 ASN HD21 4.540 . 4.540 3.829 3.392 4.300 . 0 0 "[ . 1 . 2]" 2
2704 1 45 ARG QD 1 79 ASN HD22 4.260 . 4.260 2.692 1.943 3.745 . 0 0 "[ . 1 . 2]" 2
2705 1 46 TYR HA 1 47 ARG QB 4.800 . 4.800 4.032 3.971 4.122 . 0 0 "[ . 1 . 2]" 2
2706 1 47 ARG H 1 47 ARG QB 3.020 . 3.020 2.450 2.347 2.536 . 0 0 "[ . 1 . 2]" 2
2707 1 47 ARG QB 1 47 ARG HD2 3.010 . 3.010 2.303 2.029 2.609 . 0 0 "[ . 1 . 2]" 2
2708 1 47 ARG QB 1 48 ASN H 4.440 . 4.440 3.788 3.690 3.874 . 0 0 "[ . 1 . 2]" 2
2709 1 47 ARG QB 1 48 ASN HD21 5.340 . 5.340 5.124 4.877 5.290 . 0 0 "[ . 1 . 2]" 2
2710 1 47 ARG QB 1 52 GLN HA 5.270 . 5.270 4.731 4.472 4.947 . 0 0 "[ . 1 . 2]" 2
2711 1 47 ARG QB 1 54 MET HA 4.210 . 4.210 3.176 2.852 3.512 . 0 0 "[ . 1 . 2]" 2
2712 1 47 ARG QG 1 52 GLN QG 5.340 . 5.340 4.945 4.088 5.231 . 0 0 "[ . 1 . 2]" 2
2713 1 47 ARG HD3 1 52 GLN QG 5.340 . 5.340 4.322 2.905 5.437 0.097 14 0 "[ . 1 . 2]" 2
2714 1 48 ASN HA 1 50 VAL QG 4.190 . 4.190 4.174 4.018 4.317 0.127 6 0 "[ . 1 . 2]" 2
2715 1 48 ASN HD22 1 50 VAL QG 5.070 . 5.070 4.404 3.362 5.145 0.075 3 0 "[ . 1 . 2]" 2
2716 1 48 ASN HD22 1 53 CYS QB 3.820 . 3.820 2.260 1.814 2.872 . 0 0 "[ . 1 . 2]" 2
2717 1 50 VAL H 1 50 VAL QG 2.710 . 2.710 2.033 1.939 2.117 . 0 0 "[ . 1 . 2]" 2
2718 1 50 VAL HA 1 50 VAL QG 3.150 . 3.150 2.206 2.131 2.356 . 0 0 "[ . 1 . 2]" 2
2719 1 50 VAL QG 1 51 GLU H 3.550 . 3.550 2.742 1.975 3.141 . 0 0 "[ . 1 . 2]" 2
2720 1 50 VAL QG 1 52 GLN H 4.650 . 4.650 4.115 3.628 4.403 . 0 0 "[ . 1 . 2]" 2
2721 1 50 VAL QG 1 52 GLN HE21 5.350 . 5.350 4.789 4.618 4.994 . 0 0 "[ . 1 . 2]" 2
2722 1 50 VAL QG 1 52 GLN HE22 5.440 . 5.440 5.291 4.243 5.520 0.080 15 0 "[ . 1 . 2]" 2
2723 1 50 VAL QG 1 53 CYS H 5.440 . 5.440 5.094 4.319 5.517 0.077 6 0 "[ . 1 . 2]" 2
2724 1 51 GLU QG 1 53 CYS QB 3.900 . 3.900 2.077 1.948 2.250 . 0 0 "[ . 1 . 2]" 2
2725 1 52 GLN H 1 52 GLN QG 3.600 . 3.600 3.096 2.920 3.577 . 0 0 "[ . 1 . 2]" 2
2726 1 52 GLN H 1 53 CYS QB 5.340 . 5.340 4.528 4.449 4.612 . 0 0 "[ . 1 . 2]" 2
2727 1 52 GLN HA 1 52 GLN QG 3.260 . 3.260 2.959 2.413 3.086 . 0 0 "[ . 1 . 2]" 2
2728 1 52 GLN HE22 1 52 GLN QG 3.600 . 3.600 3.273 3.266 3.289 . 0 0 "[ . 1 . 2]" 2
2729 1 53 CYS QB 1 54 MET H 3.470 . 3.470 3.372 3.094 3.519 0.049 8 0 "[ . 1 . 2]" 2
2730 1 54 MET H 1 54 MET QB 3.170 . 3.170 2.370 2.076 2.591 . 0 0 "[ . 1 . 2]" 2
2731 1 54 MET QB 1 54 MET ME 2.870 . 2.870 1.985 1.850 2.059 . 0 0 "[ . 1 . 2]" 2
2732 1 54 MET QB 1 55 ARG H 4.070 . 4.070 2.942 2.516 3.598 . 0 0 "[ . 1 . 2]" 2
2733 1 57 VAL HB 1 64 LEU QD 3.480 . 3.480 2.576 2.228 3.058 . 0 0 "[ . 1 . 2]" 2
2734 1 57 VAL MG1 1 64 LEU QD 3.340 . 3.340 2.760 2.329 3.076 . 0 0 "[ . 1 . 2]" 2
2735 1 58 ARG H 1 58 ARG QD 4.010 . 4.010 3.513 3.119 4.003 . 0 0 "[ . 1 . 2]" 2
2736 1 58 ARG H 1 64 LEU QD 5.010 . 5.010 4.771 4.455 5.105 0.095 15 0 "[ . 1 . 2]" 2
2737 1 58 ARG HA 1 58 ARG QD 3.910 . 3.910 2.100 1.971 2.486 . 0 0 "[ . 1 . 2]" 2
2738 1 58 ARG HA 1 59 LEU QD 3.770 . 3.770 3.316 3.101 4.108 0.338 3 0 "[ . 1 . 2]" 2
2739 1 58 ARG QD 1 59 LEU H 4.260 . 4.260 3.509 3.011 3.793 . 0 0 "[ . 1 . 2]" 2
2740 1 59 LEU H 1 59 LEU QD 3.450 . 3.450 2.007 1.807 3.152 . 0 0 "[ . 1 . 2]" 2
2741 1 59 LEU HA 1 59 LEU QD 3.440 . 3.440 3.227 3.147 3.402 . 0 0 "[ . 1 . 2]" 2
2742 1 59 LEU HA 1 60 VAL QG 3.550 . 3.550 3.448 3.345 3.537 . 0 0 "[ . 1 . 2]" 2
2743 1 59 LEU HB2 1 59 LEU QD 2.760 . 2.760 2.199 2.085 2.255 . 0 0 "[ . 1 . 2]" 2
2744 1 59 LEU HB3 1 59 LEU QD 2.860 . 2.860 2.342 2.077 2.468 . 0 0 "[ . 1 . 2]" 2
2745 1 59 LEU QD 1 60 VAL H 3.140 . 3.140 3.282 3.121 3.517 0.377 10 0 "[ . 1 . 2]" 2
2746 1 59 LEU QD 1 60 VAL HA 4.220 . 4.220 3.062 2.573 3.964 . 0 0 "[ . 1 . 2]" 2
2747 1 59 LEU QD 1 61 GLU H 4.010 . 4.010 3.315 2.845 4.032 0.022 18 0 "[ . 1 . 2]" 2
2748 1 59 LEU QD 1 62 GLY H 3.300 . 3.300 2.746 2.427 2.961 . 0 0 "[ . 1 . 2]" 2
2749 1 59 LEU QD 1 62 GLY HA2 3.630 . 3.630 3.366 2.683 3.709 0.079 3 0 "[ . 1 . 2]" 2
2750 1 59 LEU QD 1 62 GLY HA3 4.830 . 4.830 4.640 4.111 4.880 0.050 13 0 "[ . 1 . 2]" 2
2751 1 60 VAL H 1 60 VAL QG 3.080 . 3.080 2.624 2.337 2.974 . 0 0 "[ . 1 . 2]" 2
2752 1 60 VAL HA 1 60 VAL QG 2.580 . 2.580 2.249 2.137 2.355 . 0 0 "[ . 1 . 2]" 2
2753 1 60 VAL QG 1 61 GLU H 3.140 . 3.140 2.978 2.833 3.150 0.010 3 0 "[ . 1 . 2]" 2
2754 1 60 VAL QG 1 61 GLU QB 4.400 . 4.400 2.858 2.775 2.982 . 0 0 "[ . 1 . 2]" 2
2755 1 60 VAL QG 1 65 HIS H 4.720 . 4.720 4.517 4.208 4.727 0.007 16 0 "[ . 1 . 2]" 2
2756 1 60 VAL QG 1 65 HIS HD2 3.250 . 3.250 2.160 1.913 2.471 . 0 0 "[ . 1 . 2]" 2
2757 1 61 GLU H 1 61 GLU QB 3.520 . 3.520 3.339 3.305 3.379 . 0 0 "[ . 1 . 2]" 2
2758 1 61 GLU QB 1 62 GLY H 3.910 . 3.910 3.801 3.773 3.839 . 0 0 "[ . 1 . 2]" 2
2759 1 61 GLU QB 1 63 ILE H 4.710 . 4.710 3.516 3.311 3.793 . 0 0 "[ . 1 . 2]" 2
2760 1 64 LEU H 1 64 LEU QD 3.560 . 3.560 2.291 1.928 3.090 . 0 0 "[ . 1 . 2]" 2
2761 1 64 LEU HA 1 64 LEU QD 3.430 . 3.430 2.283 2.030 2.997 . 0 0 "[ . 1 . 2]" 2
2762 1 64 LEU QD 1 65 HIS H 4.870 . 4.870 3.671 3.392 4.226 . 0 0 "[ . 1 . 2]" 2
2763 1 64 LEU QD 1 71 TRP HH2 3.790 . 3.790 3.353 2.999 3.640 . 0 0 "[ . 1 . 2]" 2
2764 1 68 ASP H 1 68 ASP QB 3.050 . 3.050 2.401 2.228 2.554 . 0 0 "[ . 1 . 2]" 2
2765 1 68 ASP HA 1 68 ASP QB 2.520 . 2.520 2.375 2.331 2.418 . 0 0 "[ . 1 . 2]" 2
2766 1 68 ASP QB 1 69 ALA H 2.970 . 2.970 2.527 2.179 2.864 . 0 0 "[ . 1 . 2]" 2
2767 1 68 ASP QB 1 69 ALA MB 3.760 . 3.760 3.554 3.317 3.782 0.022 10 0 "[ . 1 . 2]" 2
2768 1 75 VAL H 1 75 VAL QG 2.660 . 2.660 1.908 1.855 1.988 . 0 0 "[ . 1 . 2]" 2
2769 1 75 VAL HA 1 75 VAL QG 2.690 . 2.690 2.276 2.233 2.311 . 0 0 "[ . 1 . 2]" 2
2770 1 75 VAL QG 1 76 TYR H 3.340 . 3.340 3.330 3.204 3.386 0.046 19 0 "[ . 1 . 2]" 2
2771 1 75 VAL QG 1 76 TYR QD 4.960 . 4.960 4.486 4.323 4.664 . 0 0 "[ . 1 . 2]" 2
2772 1 77 VAL H 1 78 VAL QG 5.440 . 5.440 5.168 4.659 5.322 . 0 0 "[ . 1 . 2]" 2
2773 1 77 VAL HA 1 78 VAL QG 3.770 . 3.770 3.667 3.434 3.766 . 0 0 "[ . 1 . 2]" 2
2774 1 77 VAL HB 1 78 VAL QG 5.440 . 5.440 5.111 4.977 5.268 . 0 0 "[ . 1 . 2]" 2
2775 1 77 VAL QG 1 78 VAL QG 3.950 . 3.950 3.269 3.028 3.735 . 0 0 "[ . 1 . 2]" 2
2776 1 78 VAL H 1 78 VAL QG 3.090 . 3.090 1.978 1.861 2.182 . 0 0 "[ . 1 . 2]" 2
2777 1 78 VAL HA 1 78 VAL QG 2.980 . 2.980 2.292 2.129 2.357 . 0 0 "[ . 1 . 2]" 2
2778 1 78 VAL QG 1 79 ASN H 3.290 . 3.290 2.251 2.041 2.546 . 0 0 "[ . 1 . 2]" 2
2779 1 78 VAL QG 1 79 ASN HA 4.110 . 4.110 3.663 3.483 4.088 . 0 0 "[ . 1 . 2]" 2
2780 1 78 VAL QG 1 79 ASN HB2 4.590 . 4.590 3.707 3.645 3.798 . 0 0 "[ . 1 . 2]" 2
2781 1 78 VAL QG 1 79 ASN HB3 4.650 . 4.650 4.376 4.244 4.534 . 0 0 "[ . 1 . 2]" 2
2782 1 78 VAL QG 1 79 ASN HD21 5.370 . 5.370 4.644 4.332 5.341 . 0 0 "[ . 1 . 2]" 2
2783 1 78 VAL QG 1 80 TYR H 4.750 . 4.750 3.809 3.415 4.514 . 0 0 "[ . 1 . 2]" 2
2784 1 78 VAL QG 1 80 TYR HA 4.530 . 4.530 3.841 3.655 4.230 . 0 0 "[ . 1 . 2]" 2
2785 1 78 VAL QG 1 80 TYR QE 3.370 . 3.370 2.610 2.347 3.495 0.125 1 0 "[ . 1 . 2]" 2
2786 1 82 LYS H 1 82 LYS QB 3.220 . 3.220 2.801 2.606 3.159 . 0 0 "[ . 1 . 2]" 2
2787 1 82 LYS HA 1 82 LYS QB 2.470 . 2.470 2.178 2.164 2.188 . 0 0 "[ . 1 . 2]" 2
2788 1 82 LYS QB 1 82 LYS QE 3.890 . 3.890 3.691 3.598 3.803 . 0 0 "[ . 1 . 2]" 2
2789 1 82 LYS QB 1 83 ASP H 4.190 . 4.190 3.729 3.542 3.886 . 0 0 "[ . 1 . 2]" 2
2790 1 82 LYS QB 1 83 ASP QB 5.180 . 5.180 4.426 3.881 4.972 . 0 0 "[ . 1 . 2]" 2
2791 1 82 LYS QG 1 83 ASP QB 4.560 . 4.560 3.501 2.664 4.266 . 0 0 "[ . 1 . 2]" 2
2792 1 83 ASP H 1 83 ASP QB 2.760 . 2.760 2.440 2.256 2.669 . 0 0 "[ . 1 . 2]" 2
2793 2 4 MET QB 2 5 SER H 4.320 . 4.320 3.492 2.769 4.081 . 0 0 "[ . 1 . 2]" 2
2794 2 5 SER QB 2 23 SER QB 5.340 . 5.340 4.660 4.180 5.211 . 0 0 "[ . 1 . 2]" 2
2795 2 6 GLU H 2 23 SER QB 4.380 . 4.380 4.034 3.351 4.548 0.168 9 0 "[ . 1 . 2]" 2
2796 2 6 GLU QG 2 23 SER QB 4.730 . 4.730 3.303 2.786 3.983 . 0 0 "[ . 1 . 2]" 2
2797 2 7 ARG H 2 23 SER QB 5.340 . 5.340 5.350 4.937 5.655 0.315 12 0 "[ . 1 . 2]" 2
2798 2 8 ILE H 2 20 GLU QB 4.970 . 4.970 3.424 2.958 4.645 . 0 0 "[ . 1 . 2]" 2
2799 2 8 ILE MG 2 23 SER QB 4.070 . 4.070 2.587 2.237 2.983 . 0 0 "[ . 1 . 2]" 2
2800 2 8 ILE MD 2 64 LEU QD 4.550 . 4.550 3.842 3.607 4.619 0.069 10 0 "[ . 1 . 2]" 2
2801 2 9 ARG H 2 75 VAL QG 4.010 . 4.010 2.073 1.832 2.241 . 0 0 "[ . 1 . 2]" 2
2802 2 9 ARG HB2 2 75 VAL QG 4.280 . 4.280 3.021 2.568 3.807 . 0 0 "[ . 1 . 2]" 2
2803 2 9 ARG HB3 2 75 VAL QG 4.310 . 4.310 3.673 2.841 4.161 . 0 0 "[ . 1 . 2]" 2
2804 2 11 THR HA 2 12 GLU QB 4.720 . 4.720 4.185 4.037 4.392 . 0 0 "[ . 1 . 2]" 2
2805 2 12 GLU HA 2 12 GLU QB 2.630 . 2.630 2.240 2.164 2.374 . 0 0 "[ . 1 . 2]" 2
2806 2 12 GLU QB 2 13 ASP H 3.730 . 3.730 3.181 2.336 3.751 0.021 5 0 "[ . 1 . 2]" 2
2807 2 12 GLU QB 2 78 VAL H 4.260 . 4.260 3.917 3.343 4.170 . 0 0 "[ . 1 . 2]" 2
2808 2 12 GLU QB 2 78 VAL HB 5.340 . 5.340 4.909 4.567 5.355 0.015 7 0 "[ . 1 . 2]" 2
2809 2 12 GLU QB 2 78 VAL MG1 3.190 . 3.190 2.364 2.043 2.759 . 0 0 "[ . 1 . 2]" 2
2810 2 12 GLU QB 2 80 TYR QD 4.450 . 4.450 2.934 2.342 3.577 . 0 0 "[ . 1 . 2]" 2
2811 2 12 GLU QB 2 80 TYR QE 3.050 . 3.050 1.956 1.742 2.334 0.058 13 0 "[ . 1 . 2]" 2
2812 2 13 ASP H 2 13 ASP QB 3.070 . 3.070 2.561 2.344 3.036 . 0 0 "[ . 1 . 2]" 2
2813 2 13 ASP QB 2 14 GLU H 4.280 . 4.280 3.727 2.627 3.915 . 0 0 "[ . 1 . 2]" 2
2814 2 14 GLU QB 2 15 ASN QB 5.340 . 5.340 4.782 3.884 5.175 . 0 0 "[ . 1 . 2]" 2
2815 2 15 ASN H 2 15 ASN QB 2.790 . 2.790 2.508 2.397 2.831 0.041 12 0 "[ . 1 . 2]" 2
2816 2 15 ASN QB 2 15 ASN HD21 2.890 . 2.890 2.195 2.172 2.217 . 0 0 "[ . 1 . 2]" 2
2817 2 15 ASN QB 2 15 ASN HD22 3.320 . 3.320 3.278 3.260 3.291 . 0 0 "[ . 1 . 2]" 2
2818 2 16 ASP H 2 16 ASP QB 3.500 . 3.500 2.371 2.235 2.899 . 0 0 "[ . 1 . 2]" 2
2819 2 16 ASP HA 2 16 ASP QB 2.640 . 2.640 2.455 2.182 2.494 . 0 0 "[ . 1 . 2]" 2
2820 2 16 ASP QB 2 17 GLU H 2.890 . 2.890 2.429 2.237 2.660 . 0 0 "[ . 1 . 2]" 2
2821 2 16 ASP QB 2 17 GLU HA 4.730 . 4.730 4.381 4.290 4.558 . 0 0 "[ . 1 . 2]" 2
2822 2 16 ASP QB 2 17 GLU QB 4.520 . 4.520 4.456 3.959 4.703 0.183 15 0 "[ . 1 . 2]" 2
2823 2 16 ASP QB 2 17 GLU QG 4.200 . 4.200 4.066 3.438 4.337 0.137 4 0 "[ . 1 . 2]" 2
2824 2 17 GLU HA 2 18 PRO QG 4.360 . 4.360 3.845 3.723 3.981 . 0 0 "[ . 1 . 2]" 2
2825 2 18 PRO QB 2 19 ILE H 3.770 . 3.770 3.282 2.776 3.643 . 0 0 "[ . 1 . 2]" 2
2826 2 18 PRO QG 2 19 ILE H 4.670 . 4.670 4.661 4.328 4.811 0.141 12 0 "[ . 1 . 2]" 2
2827 2 20 GLU H 2 20 GLU QB 3.430 . 3.430 2.593 2.549 2.659 . 0 0 "[ . 1 . 2]" 2
2828 2 21 ILE H 2 22 PRO QD 5.150 . 5.150 4.233 4.111 4.324 . 0 0 "[ . 1 . 2]" 2
2829 2 21 ILE HA 2 22 PRO QD 3.540 . 3.540 1.960 1.878 2.002 . 0 0 "[ . 1 . 2]" 2
2830 2 21 ILE MG 2 22 PRO QD 3.830 . 3.830 2.169 1.920 2.580 . 0 0 "[ . 1 . 2]" 2
2831 2 22 PRO QD 2 23 SER H 4.960 . 4.960 4.803 4.744 4.847 . 0 0 "[ . 1 . 2]" 2
2832 2 22 PRO QD 2 33 THR MG 4.100 . 4.100 2.385 2.110 2.723 . 0 0 "[ . 1 . 2]" 2
2833 2 23 SER H 2 23 SER QB 3.550 . 3.550 2.572 2.260 2.848 . 0 0 "[ . 1 . 2]" 2
2834 2 23 SER QB 2 27 GLY H 5.170 . 5.170 4.747 4.428 5.203 0.033 6 0 "[ . 1 . 2]" 2
2835 2 23 SER QB 2 28 THR H 4.960 . 4.960 4.228 3.883 5.010 0.050 3 0 "[ . 1 . 2]" 2
2836 2 23 SER QB 2 29 VAL H 5.340 . 5.340 4.806 4.440 5.386 0.046 3 0 "[ . 1 . 2]" 2
2837 2 23 SER QB 2 29 VAL HA 5.010 . 5.010 3.608 3.201 3.965 . 0 0 "[ . 1 . 2]" 2
2838 2 23 SER QB 2 29 VAL HB 5.180 . 5.180 3.660 3.350 3.916 . 0 0 "[ . 1 . 2]" 2
2839 2 23 SER QB 2 29 VAL MG1 4.880 . 4.880 4.410 4.184 4.638 . 0 0 "[ . 1 . 2]" 2
2840 2 23 SER QB 2 29 VAL MG2 3.330 . 3.330 1.924 1.783 2.157 0.017 16 0 "[ . 1 . 2]" 2
2841 2 23 SER QB 2 30 LEU H 5.340 . 5.340 5.297 4.923 5.418 0.078 5 0 "[ . 1 . 2]" 2
2842 2 23 SER QB 2 71 TRP HD1 5.320 . 5.320 3.182 2.941 3.620 . 0 0 "[ . 1 . 2]" 2
2843 2 23 SER QB 2 71 TRP HE1 4.100 . 4.100 2.528 2.271 3.209 . 0 0 "[ . 1 . 2]" 2
2844 2 26 ASP H 2 26 ASP QB 3.180 . 3.180 2.259 2.197 2.526 . 0 0 "[ . 1 . 2]" 2
2845 2 26 ASP QB 2 27 GLY H 4.170 . 4.170 3.139 3.041 3.504 . 0 0 "[ . 1 . 2]" 2
2846 2 26 ASP QB 2 28 THR H 4.300 . 4.300 3.202 2.921 3.519 . 0 0 "[ . 1 . 2]" 2
2847 2 27 GLY QA 2 28 THR MG 4.640 . 4.640 3.719 3.564 3.820 . 0 0 "[ . 1 . 2]" 2
2848 2 27 GLY QA 2 66 ALA MB 4.260 . 4.260 2.698 2.404 3.116 . 0 0 "[ . 1 . 2]" 2
2849 2 27 GLY QA 2 71 TRP HD1 3.930 . 3.930 3.372 3.139 3.606 . 0 0 "[ . 1 . 2]" 2
2850 2 27 GLY QA 2 71 TRP HE1 3.510 . 3.510 2.309 2.140 2.478 . 0 0 "[ . 1 . 2]" 2
2851 2 27 GLY QA 2 71 TRP HZ2 4.720 . 4.720 3.939 3.753 4.205 . 0 0 "[ . 1 . 2]" 2
2852 2 29 VAL HB 2 64 LEU QD 4.020 . 4.020 3.364 3.195 3.862 . 0 0 "[ . 1 . 2]" 2
2853 2 29 VAL MG2 2 64 LEU QD 4.600 . 4.600 3.700 3.595 4.255 . 0 0 "[ . 1 . 2]" 2
2854 2 30 LEU H 2 30 LEU QD 4.360 . 4.360 3.811 3.769 3.836 . 0 0 "[ . 1 . 2]" 2
2855 2 30 LEU HA 2 64 LEU QD 4.250 . 4.250 4.041 3.883 4.237 . 0 0 "[ . 1 . 2]" 2
2856 2 30 LEU HB2 2 30 LEU QD 2.800 . 2.800 2.115 2.101 2.123 . 0 0 "[ . 1 . 2]" 2
2857 2 30 LEU HB3 2 32 SER QB 4.670 . 4.670 3.879 3.674 4.761 0.091 5 0 "[ . 1 . 2]" 2
2858 2 30 LEU HG 2 32 SER QB 3.990 . 3.990 2.397 2.170 3.184 . 0 0 "[ . 1 . 2]" 2
2859 2 30 LEU QD 2 31 LEU H 3.220 . 3.220 2.114 1.785 2.643 0.015 5 0 "[ . 1 . 2]" 2
2860 2 30 LEU QD 2 32 SER H 3.100 . 3.100 2.686 2.510 2.875 . 0 0 "[ . 1 . 2]" 2
2861 2 30 LEU QD 2 32 SER HA 4.350 . 4.350 4.214 4.121 4.552 0.202 5 0 "[ . 1 . 2]" 2
2862 2 30 LEU QD 2 32 SER QB 4.410 . 4.410 2.073 1.895 3.144 . 0 0 "[ . 1 . 2]" 2
2863 2 30 LEU QD 2 33 THR H 3.830 . 3.830 3.013 2.764 3.444 . 0 0 "[ . 1 . 2]" 2
2864 2 30 LEU QD 2 34 VAL H 5.340 . 5.340 4.824 4.742 5.064 . 0 0 "[ . 1 . 2]" 2
2865 2 31 LEU H 2 64 LEU QD 4.020 . 4.020 3.689 3.543 3.839 . 0 0 "[ . 1 . 2]" 2
2866 2 31 LEU HA 2 64 LEU QD 3.610 . 3.610 2.959 2.776 3.103 . 0 0 "[ . 1 . 2]" 2
2867 2 31 LEU HB2 2 64 LEU QD 4.030 . 4.030 3.441 3.209 3.740 . 0 0 "[ . 1 . 2]" 2
2868 2 31 LEU MD1 2 42 CYS QB 4.490 . 4.490 2.627 2.432 2.894 . 0 0 "[ . 1 . 2]" 2
2869 2 31 LEU MD2 2 42 CYS QB 5.180 . 5.180 3.770 3.513 4.110 . 0 0 "[ . 1 . 2]" 2
2870 2 38 PHE H 2 39 PRO QD 4.450 . 4.450 4.362 4.289 4.412 . 0 0 "[ . 1 . 2]" 2
2871 2 38 PHE HA 2 39 PRO QD 3.070 . 3.070 2.011 1.766 2.091 0.034 12 0 "[ . 1 . 2]" 2
2872 2 38 PHE QB 2 39 PRO QD 5.200 . 5.200 2.428 2.190 2.763 . 0 0 "[ . 1 . 2]" 2
2873 2 41 ALA HA 2 81 PRO QG 3.960 . 3.960 3.635 3.307 3.925 . 0 0 "[ . 1 . 2]" 2
2874 2 41 ALA HA 2 81 PRO QD 3.870 . 3.870 2.185 1.962 2.396 . 0 0 "[ . 1 . 2]" 2
2875 2 42 CYS H 2 42 CYS QB 3.630 . 3.630 2.833 2.718 3.077 . 0 0 "[ . 1 . 2]" 2
2876 2 42 CYS QB 2 80 TYR HA 5.340 . 5.340 5.006 4.518 5.510 0.170 11 0 "[ . 1 . 2]" 2
2877 2 43 GLY H 2 64 LEU QD 3.720 . 3.720 2.654 2.417 2.805 . 0 0 "[ . 1 . 2]" 2
2878 2 43 GLY HA2 2 64 LEU QD 3.510 . 3.510 2.457 2.057 2.798 . 0 0 "[ . 1 . 2]" 2
2879 2 43 GLY HA3 2 64 LEU QD 3.950 . 3.950 3.768 3.556 3.978 0.028 13 0 "[ . 1 . 2]" 2
2880 2 44 LEU H 2 44 LEU QD 3.880 . 3.880 3.479 3.199 3.701 . 0 0 "[ . 1 . 2]" 2
2881 2 44 LEU HA 2 44 LEU QD 2.970 . 2.970 2.405 2.126 2.679 . 0 0 "[ . 1 . 2]" 2
2882 2 44 LEU HA 2 57 VAL QG 4.430 . 4.430 3.693 3.545 3.872 . 0 0 "[ . 1 . 2]" 2
2883 2 44 LEU HB2 2 57 VAL QG 4.170 . 4.170 2.037 1.800 2.426 0.000 8 0 "[ . 1 . 2]" 2
2884 2 44 LEU HB3 2 57 VAL QG 4.370 . 4.370 2.696 2.213 3.025 . 0 0 "[ . 1 . 2]" 2
2885 2 44 LEU QD 2 45 ARG H 3.730 . 3.730 3.576 3.280 3.803 0.073 14 0 "[ . 1 . 2]" 2
2886 2 44 LEU QD 2 57 VAL QG 3.150 . 3.150 2.688 2.265 2.990 . 0 0 "[ . 1 . 2]" 2
2887 2 44 LEU QD 2 64 LEU HB3 4.330 . 4.330 4.024 3.158 4.369 0.039 2 0 "[ . 1 . 2]" 2
2888 2 44 LEU QD 2 71 TRP HE3 4.110 . 4.110 3.582 3.163 3.952 . 0 0 "[ . 1 . 2]" 2
2889 2 44 LEU QD 2 71 TRP HH2 5.080 . 5.080 4.489 3.975 4.977 . 0 0 "[ . 1 . 2]" 2
2890 2 44 LEU QD 2 78 VAL HA 3.000 . 3.000 2.471 1.901 3.007 0.007 11 0 "[ . 1 . 2]" 2
2891 2 44 LEU QD 2 78 VAL HB 3.300 . 3.300 2.895 2.476 3.299 . 0 0 "[ . 1 . 2]" 2
2892 2 44 LEU QD 2 78 VAL MG2 2.640 . 2.640 2.026 1.872 2.258 . 0 0 "[ . 1 . 2]" 2
2893 2 44 LEU QD 2 79 ASN H 3.390 . 3.390 2.938 2.593 3.210 . 0 0 "[ . 1 . 2]" 2
2894 2 45 ARG H 2 45 ARG QD 4.760 . 4.760 4.510 3.773 4.921 0.161 14 0 "[ . 1 . 2]" 2
2895 2 45 ARG HA 2 45 ARG QD 4.500 . 4.500 4.083 2.470 4.306 . 0 0 "[ . 1 . 2]" 2
2896 2 45 ARG HA 2 56 GLY QA 4.480 . 4.480 2.124 1.895 2.306 . 0 0 "[ . 1 . 2]" 2
2897 2 45 ARG HA 2 57 VAL QG 3.910 . 3.910 2.935 2.533 3.545 . 0 0 "[ . 1 . 2]" 2
2898 2 45 ARG QB 2 46 TYR H 3.580 . 3.580 2.499 2.016 3.071 . 0 0 "[ . 1 . 2]" 2
2899 2 45 ARG QB 2 46 TYR HB3 5.340 . 5.340 5.129 4.610 5.343 0.003 18 0 "[ . 1 . 2]" 2
2900 2 45 ARG QB 2 46 TYR QD 4.940 . 4.940 4.252 3.884 4.758 . 0 0 "[ . 1 . 2]" 2
2901 2 45 ARG QG 2 55 ARG QB 5.340 . 5.340 5.371 4.538 5.788 0.448 17 0 "[ . 1 . 2]" 2
2902 2 46 TYR QD 2 49 PRO QD 4.140 . 4.140 3.754 3.245 4.160 0.020 9 0 "[ . 1 . 2]" 2
2903 2 46 TYR QD 2 57 VAL QG 3.210 . 3.210 3.134 2.663 3.332 0.122 2 0 "[ . 1 . 2]" 2
2904 2 46 TYR QE 2 49 PRO QD 4.480 . 4.480 3.798 2.687 4.572 0.092 18 0 "[ . 1 . 2]" 2
2905 2 46 TYR QE 2 57 VAL QG 3.070 . 3.070 2.838 1.903 3.196 0.126 1 0 "[ . 1 . 2]" 2
2906 2 48 ASN H 2 49 PRO QD 4.590 . 4.590 4.221 4.081 4.334 . 0 0 "[ . 1 . 2]" 2
2907 2 48 ASN H 2 53 CYS QB 4.570 . 4.570 4.339 4.078 4.580 0.010 3 0 "[ . 1 . 2]" 2
2908 2 48 ASN HB2 2 53 CYS QB 4.370 . 4.370 4.420 4.003 4.541 0.171 13 0 "[ . 1 . 2]" 2
2909 2 48 ASN HB3 2 49 PRO QD 4.980 . 4.980 4.165 4.007 4.295 . 0 0 "[ . 1 . 2]" 2
2910 2 49 PRO QG 2 50 VAL H 4.060 . 4.060 2.949 2.683 3.914 . 0 0 "[ . 1 . 2]" 2
2911 2 49 PRO QD 2 50 VAL H 4.520 . 4.520 2.720 2.467 2.976 . 0 0 "[ . 1 . 2]" 2
2912 2 49 PRO QD 2 50 VAL MG2 3.940 . 3.940 3.243 2.798 3.389 . 0 0 "[ . 1 . 2]" 2
2913 2 50 VAL HB 2 51 SER QB 4.370 . 4.370 4.081 3.653 4.315 . 0 0 "[ . 1 . 2]" 2
2914 2 51 SER QB 2 52 GLN HE21 5.340 . 5.340 5.436 5.212 5.558 0.218 10 0 "[ . 1 . 2]" 2
2915 2 51 SER QB 2 53 CYS H 5.210 . 5.210 2.906 2.355 3.503 . 0 0 "[ . 1 . 2]" 2
2916 2 52 GLN H 2 53 CYS QB 5.120 . 5.120 4.714 4.557 5.093 . 0 0 "[ . 1 . 2]" 2
2917 2 53 CYS H 2 53 CYS QB 3.180 . 3.180 2.557 2.380 2.944 . 0 0 "[ . 1 . 2]" 2
2918 2 53 CYS QB 2 54 MET H 3.770 . 3.770 2.548 2.079 3.295 . 0 0 "[ . 1 . 2]" 2
2919 2 55 ARG H 2 55 ARG QB 3.500 . 3.500 2.357 2.109 2.719 . 0 0 "[ . 1 . 2]" 2
2920 2 56 GLY H 2 57 VAL QG 5.440 . 5.440 4.916 4.809 4.990 . 0 0 "[ . 1 . 2]" 2
2921 2 56 GLY QA 2 57 VAL QG 4.490 . 4.490 3.035 2.898 3.129 . 0 0 "[ . 1 . 2]" 2
2922 2 57 VAL H 2 57 VAL QG 3.710 . 3.710 2.058 1.938 2.187 . 0 0 "[ . 1 . 2]" 2
2923 2 57 VAL QG 2 58 ARG H 3.510 . 3.510 3.243 3.199 3.306 . 0 0 "[ . 1 . 2]" 2
2924 2 57 VAL QG 2 64 LEU HA 4.040 . 4.040 3.776 3.618 3.935 . 0 0 "[ . 1 . 2]" 2
2925 2 57 VAL QG 2 64 LEU HB3 3.890 . 3.890 2.855 2.591 3.245 . 0 0 "[ . 1 . 2]" 2
2926 2 57 VAL QG 2 64 LEU QD 2.950 . 2.950 1.920 1.822 1.992 . 0 0 "[ . 1 . 2]" 2
2927 2 57 VAL QG 2 65 HIS H 3.910 . 3.910 3.830 3.623 3.961 0.051 18 0 "[ . 1 . 2]" 2
2928 2 57 VAL QG 2 66 ALA HA 4.650 . 4.650 3.836 3.214 4.183 . 0 0 "[ . 1 . 2]" 2
2929 2 57 VAL QG 2 66 ALA MB 5.270 . 5.270 4.447 3.908 4.688 . 0 0 "[ . 1 . 2]" 2
2930 2 57 VAL QG 2 67 PRO HD3 3.830 . 3.830 3.272 2.656 3.847 0.017 12 0 "[ . 1 . 2]" 2
2931 2 57 VAL QG 2 71 TRP HE3 3.920 . 3.920 3.528 3.116 3.794 . 0 0 "[ . 1 . 2]" 2
2932 2 57 VAL QG 2 71 TRP HZ3 4.490 . 4.490 2.564 2.192 2.787 . 0 0 "[ . 1 . 2]" 2
2933 2 57 VAL QG 2 71 TRP HH2 3.910 . 3.910 3.831 3.425 4.039 0.129 12 0 "[ . 1 . 2]" 2
2934 2 58 ARG H 2 58 ARG QD 4.960 . 4.960 4.223 3.243 4.785 . 0 0 "[ . 1 . 2]" 2
2935 2 58 ARG HA 2 58 ARG QD 4.690 . 4.690 4.067 3.860 4.521 . 0 0 "[ . 1 . 2]" 2
2936 2 59 LEU H 2 59 LEU QD 4.540 . 4.540 3.954 3.898 4.003 . 0 0 "[ . 1 . 2]" 2
2937 2 59 LEU HA 2 59 LEU QD 3.190 . 3.190 2.042 2.010 2.074 . 0 0 "[ . 1 . 2]" 2
2938 2 59 LEU QD 2 60 VAL H 3.100 . 3.100 2.161 2.045 2.306 . 0 0 "[ . 1 . 2]" 2
2939 2 59 LEU QD 2 61 GLU H 5.440 . 5.440 4.009 3.687 4.272 . 0 0 "[ . 1 . 2]" 2
2940 2 59 LEU QD 2 62 GLY H 3.310 . 3.310 2.582 2.327 2.754 . 0 0 "[ . 1 . 2]" 2
2941 2 59 LEU QD 2 62 GLY HA2 3.160 . 3.160 2.282 2.190 2.407 . 0 0 "[ . 1 . 2]" 2
2942 2 59 LEU QD 2 62 GLY HA3 3.980 . 3.980 3.580 3.482 3.645 . 0 0 "[ . 1 . 2]" 2
2943 2 59 LEU QD 2 64 LEU HA 3.670 . 3.670 2.525 2.398 2.639 . 0 0 "[ . 1 . 2]" 2
2944 2 59 LEU QD 2 65 HIS H 4.120 . 4.120 4.050 3.828 4.166 0.046 1 0 "[ . 1 . 2]" 2
2945 2 59 LEU QD 2 65 HIS QB 5.280 . 5.280 5.151 4.873 5.323 0.043 5 0 "[ . 1 . 2]" 2
2946 2 60 VAL HA 2 61 GLU QB 4.640 . 4.640 4.415 4.366 4.450 . 0 0 "[ . 1 . 2]" 2
2947 2 60 VAL MG1 2 61 GLU QB 4.570 . 4.570 3.849 3.554 4.600 0.030 13 0 "[ . 1 . 2]" 2
2948 2 60 VAL MG2 2 61 GLU QB 3.520 . 3.520 2.926 2.764 3.149 . 0 0 "[ . 1 . 2]" 2
2949 2 61 GLU H 2 61 GLU QB 3.430 . 3.430 3.292 2.929 3.371 . 0 0 "[ . 1 . 2]" 2
2950 2 61 GLU QB 2 62 GLY H 4.240 . 4.240 3.861 3.794 4.074 . 0 0 "[ . 1 . 2]" 2
2951 2 61 GLU QB 2 62 GLY HA3 5.340 . 5.340 4.409 4.306 4.685 . 0 0 "[ . 1 . 2]" 2
2952 2 61 GLU QB 2 63 ILE H 5.340 . 5.340 3.641 3.357 4.465 . 0 0 "[ . 1 . 2]" 2
2953 2 63 ILE HA 2 64 LEU QD 4.850 . 4.850 3.092 3.033 3.219 . 0 0 "[ . 1 . 2]" 2
2954 2 64 LEU H 2 64 LEU QD 3.750 . 3.750 2.103 2.054 2.238 . 0 0 "[ . 1 . 2]" 2
2955 2 64 LEU HA 2 64 LEU QD 3.440 . 3.440 2.732 2.003 2.837 . 0 0 "[ . 1 . 2]" 2
2956 2 64 LEU QD 2 65 HIS H 4.320 . 4.320 4.073 3.237 4.217 . 0 0 "[ . 1 . 2]" 2
2957 2 64 LEU QD 2 66 ALA MB 5.440 . 5.440 5.479 5.401 5.564 0.124 10 0 "[ . 1 . 2]" 2
2958 2 64 LEU QD 2 71 TRP HE3 4.960 . 4.960 4.775 4.538 5.171 0.211 10 0 "[ . 1 . 2]" 2
2959 2 64 LEU QD 2 71 TRP HH2 4.070 . 4.070 3.307 3.191 3.550 . 0 0 "[ . 1 . 2]" 2
2960 2 65 HIS QB 2 71 TRP HH2 5.330 . 5.330 5.068 4.807 5.294 . 0 0 "[ . 1 . 2]" 2
2961 2 66 ALA MB 2 67 PRO QG 4.950 . 4.950 3.904 3.578 4.182 . 0 0 "[ . 1 . 2]" 2
2962 2 67 PRO QG 2 68 ASP H 4.890 . 4.890 3.960 3.559 4.262 . 0 0 "[ . 1 . 2]" 2
2963 2 67 PRO QG 2 74 LEU H 5.350 . 5.350 5.285 5.041 5.420 0.070 12 0 "[ . 1 . 2]" 2
2964 2 67 PRO QG 2 74 LEU HB2 5.050 . 5.050 4.857 4.406 5.106 0.056 20 0 "[ . 1 . 2]" 2
2965 2 67 PRO QG 2 74 LEU HB3 5.000 . 5.000 3.561 3.240 3.808 . 0 0 "[ . 1 . 2]" 2
2966 2 67 PRO QG 2 74 LEU MD2 3.600 . 3.600 2.654 2.458 2.759 . 0 0 "[ . 1 . 2]" 2
2967 2 72 GLY H 2 73 ASN QB 4.690 . 4.690 4.684 4.404 4.778 0.088 11 0 "[ . 1 . 2]" 2
2968 2 72 GLY QA 2 73 ASN QB 4.350 . 4.350 4.180 4.110 4.239 . 0 0 "[ . 1 . 2]" 2
2969 2 72 GLY QA 2 75 VAL QG 4.960 . 4.960 2.507 2.311 2.775 . 0 0 "[ . 1 . 2]" 2
2970 2 73 ASN H 2 75 VAL QG 4.970 . 4.970 3.744 3.565 3.990 . 0 0 "[ . 1 . 2]" 2
2971 2 73 ASN QB 2 73 ASN HD21 3.020 . 3.020 2.298 2.238 2.743 . 0 0 "[ . 1 . 2]" 2
2972 2 73 ASN QB 2 73 ASN HD22 3.450 . 3.450 3.319 3.298 3.466 0.016 5 0 "[ . 1 . 2]" 2
2973 2 73 ASN QB 2 74 LEU H 3.980 . 3.980 3.835 3.761 3.948 . 0 0 "[ . 1 . 2]" 2
2974 2 73 ASN QB 2 74 LEU HA 5.340 . 5.340 4.695 4.550 4.847 . 0 0 "[ . 1 . 2]" 2
2975 2 73 ASN QB 2 74 LEU HB3 5.100 . 5.100 4.877 4.784 4.989 . 0 0 "[ . 1 . 2]" 2
2976 2 73 ASN QB 2 74 LEU HG 5.210 . 5.210 5.109 4.777 5.244 0.034 2 0 "[ . 1 . 2]" 2
2977 2 73 ASN QB 2 74 LEU MD2 5.030 . 5.030 4.999 4.817 5.113 0.083 19 0 "[ . 1 . 2]" 2
2978 2 74 LEU H 2 75 VAL QG 4.260 . 4.260 2.922 2.861 3.049 . 0 0 "[ . 1 . 2]" 2
2979 2 75 VAL H 2 75 VAL QG 2.630 . 2.630 1.802 1.785 1.825 0.015 13 0 "[ . 1 . 2]" 2
2980 2 75 VAL QG 2 76 TYR H 4.110 . 4.110 3.712 3.660 3.753 . 0 0 "[ . 1 . 2]" 2
2981 2 75 VAL QG 2 76 TYR HB2 4.600 . 4.600 4.306 4.111 4.698 0.098 1 0 "[ . 1 . 2]" 2
2982 2 81 PRO QG 2 82 LYS H 4.450 . 4.450 4.384 3.740 4.617 0.167 14 0 "[ . 1 . 2]" 2
2983 2 82 LYS H 2 82 LYS QB 3.000 . 3.000 2.682 2.537 2.922 . 0 0 "[ . 1 . 2]" 2
2984 2 83 ASP H 2 83 ASP QB 3.240 . 3.240 2.424 2.239 3.008 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 94
_Distance_constraint_stats_list.Viol_count 448
_Distance_constraint_stats_list.Viol_total 415.715
_Distance_constraint_stats_list.Viol_max 0.209
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0464
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 GLU 0.152 0.118 6 0 "[ . 1 . 2]"
1 8 ILE 0.866 0.067 4 0 "[ . 1 . 2]"
1 9 ARG 0.435 0.087 7 0 "[ . 1 . 2]"
1 10 VAL 0.762 0.117 6 0 "[ . 1 . 2]"
1 11 THR 1.001 0.085 12 0 "[ . 1 . 2]"
1 19 ILE 0.762 0.117 6 0 "[ . 1 . 2]"
1 21 ILE 0.866 0.067 4 0 "[ . 1 . 2]"
1 23 SER 0.152 0.118 6 0 "[ . 1 . 2]"
1 29 VAL 0.640 0.072 5 0 "[ . 1 . 2]"
1 31 LEU 0.031 0.012 11 0 "[ . 1 . 2]"
1 32 SER 1.309 0.175 12 0 "[ . 1 . 2]"
1 34 VAL 0.193 0.037 6 0 "[ . 1 . 2]"
1 35 THR 0.008 0.008 13 0 "[ . 1 . 2]"
1 36 ALA 1.309 0.175 12 0 "[ . 1 . 2]"
1 38 PHE 0.193 0.037 6 0 "[ . 1 . 2]"
1 42 CYS 0.546 0.100 4 0 "[ . 1 . 2]"
1 43 GLY 0.344 0.069 8 0 "[ . 1 . 2]"
1 44 LEU 0.033 0.021 16 0 "[ . 1 . 2]"
1 45 ARG 1.260 0.139 16 0 "[ . 1 . 2]"
1 46 TYR 1.225 0.147 20 0 "[ . 1 . 2]"
1 48 ASN 1.113 0.100 4 0 "[ . 1 . 2]"
1 53 CYS 1.113 0.100 4 0 "[ . 1 . 2]"
1 55 ARG 1.225 0.147 20 0 "[ . 1 . 2]"
1 57 VAL 0.033 0.021 16 0 "[ . 1 . 2]"
1 58 ARG 1.013 0.125 15 0 "[ . 1 . 2]"
1 60 VAL 0.067 0.034 6 0 "[ . 1 . 2]"
1 62 GLY 0.023 0.012 11 0 "[ . 1 . 2]"
1 63 ILE 0.067 0.034 6 0 "[ . 1 . 2]"
1 64 LEU 0.640 0.072 5 0 "[ . 1 . 2]"
1 65 HIS 1.013 0.125 15 0 "[ . 1 . 2]"
1 76 TYR 0.435 0.087 7 0 "[ . 1 . 2]"
1 77 VAL 1.260 0.139 16 0 "[ . 1 . 2]"
1 78 VAL 1.001 0.085 12 0 "[ . 1 . 2]"
1 79 ASN 0.890 0.100 4 0 "[ . 1 . 2]"
2 6 GLU 0.469 0.093 9 0 "[ . 1 . 2]"
2 8 ILE 0.237 0.057 17 0 "[ . 1 . 2]"
2 10 VAL 0.407 0.060 19 0 "[ . 1 . 2]"
2 11 THR 0.089 0.037 2 0 "[ . 1 . 2]"
2 19 ILE 0.407 0.060 19 0 "[ . 1 . 2]"
2 21 ILE 0.237 0.057 17 0 "[ . 1 . 2]"
2 23 SER 0.469 0.093 9 0 "[ . 1 . 2]"
2 29 VAL 0.087 0.046 6 0 "[ . 1 . 2]"
2 31 LEU 2.229 0.209 8 0 "[ . 1 . 2]"
2 32 SER 0.454 0.081 16 0 "[ . 1 . 2]"
2 34 VAL 0.005 0.005 1 0 "[ . 1 . 2]"
2 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ALA 0.454 0.081 16 0 "[ . 1 . 2]"
2 38 PHE 0.005 0.005 1 0 "[ . 1 . 2]"
2 42 CYS 1.118 0.125 20 0 "[ . 1 . 2]"
2 43 GLY 0.289 0.062 9 0 "[ . 1 . 2]"
2 44 LEU 0.998 0.144 3 0 "[ . 1 . 2]"
2 45 ARG 2.091 0.205 2 0 "[ . 1 . 2]"
2 46 TYR 0.472 0.125 7 0 "[ . 1 . 2]"
2 48 ASN 0.339 0.093 17 0 "[ . 1 . 2]"
2 53 CYS 0.339 0.093 17 0 "[ . 1 . 2]"
2 55 ARG 0.472 0.125 7 0 "[ . 1 . 2]"
2 57 VAL 0.998 0.144 3 0 "[ . 1 . 2]"
2 58 ARG 0.431 0.053 13 0 "[ . 1 . 2]"
2 60 VAL 0.077 0.043 13 0 "[ . 1 . 2]"
2 62 GLY 2.229 0.209 8 0 "[ . 1 . 2]"
2 63 ILE 0.077 0.043 13 0 "[ . 1 . 2]"
2 64 LEU 0.087 0.046 6 0 "[ . 1 . 2]"
2 65 HIS 0.431 0.053 13 0 "[ . 1 . 2]"
2 77 VAL 2.091 0.205 2 0 "[ . 1 . 2]"
2 78 VAL 0.089 0.037 2 0 "[ . 1 . 2]"
2 79 ASN 1.408 0.125 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ILE H 1 21 ILE O 2.120 . 2.120 2.030 1.781 2.177 0.057 4 0 "[ . 1 . 2]" 3
2 1 8 ILE N 1 21 ILE O 3.050 . 3.050 2.975 2.722 3.117 0.067 4 0 "[ . 1 . 2]" 3
3 1 10 VAL H 1 19 ILE O 2.120 . 2.120 2.003 1.824 2.156 0.036 7 0 "[ . 1 . 2]" 3
4 1 10 VAL N 1 19 ILE O 3.050 . 3.050 2.725 2.641 2.864 . 0 0 "[ . 1 . 2]" 3
5 1 10 VAL O 1 19 ILE H 2.120 . 2.120 1.874 1.683 2.177 0.117 6 0 "[ . 1 . 2]" 3
6 1 10 VAL O 1 19 ILE N 3.050 . 3.050 2.749 2.639 2.973 . 0 0 "[ . 1 . 2]" 3
7 1 8 ILE O 1 21 ILE H 2.120 . 2.120 1.838 1.739 1.940 0.061 9 0 "[ . 1 . 2]" 3
8 1 8 ILE O 1 21 ILE N 3.050 . 3.050 2.782 2.634 2.909 . 0 0 "[ . 1 . 2]" 3
9 1 6 GLU O 1 23 SER H 2.120 . 2.120 1.916 1.682 2.094 0.118 6 0 "[ . 1 . 2]" 3
10 1 6 GLU O 1 23 SER N 3.050 . 3.050 2.811 2.662 2.937 . 0 0 "[ . 1 . 2]" 3
11 1 31 LEU O 1 35 THR H 2.220 . 2.220 1.851 1.792 1.931 0.008 13 0 "[ . 1 . 2]" 3
12 1 31 LEU O 1 35 THR N 3.130 . 3.130 2.804 2.763 2.860 . 0 0 "[ . 1 . 2]" 3
13 1 32 SER O 1 36 ALA H 2.220 . 2.220 2.276 2.049 2.395 0.175 12 0 "[ . 1 . 2]" 3
14 1 32 SER O 1 36 ALA N 3.130 . 3.130 3.028 2.868 3.149 0.019 9 0 "[ . 1 . 2]" 3
15 1 34 VAL O 1 38 PHE H 2.220 . 2.220 1.852 1.763 2.130 0.037 6 0 "[ . 1 . 2]" 3
16 1 34 VAL O 1 38 PHE N 3.130 . 3.130 2.746 2.642 2.954 . 0 0 "[ . 1 . 2]" 3
17 1 42 CYS H 1 79 ASN O 2.120 . 2.120 2.135 1.977 2.220 0.100 4 0 "[ . 1 . 2]" 3
18 1 42 CYS N 1 79 ASN O 3.050 . 3.050 2.961 2.825 3.057 0.007 4 0 "[ . 1 . 2]" 3
19 1 45 ARG H 1 77 VAL O 2.120 . 2.120 1.746 1.661 1.819 0.139 16 0 "[ . 1 . 2]" 3
20 1 45 ARG N 1 77 VAL O 3.050 . 3.050 2.680 2.606 2.755 . 0 0 "[ . 1 . 2]" 3
21 1 45 ARG O 1 77 VAL H 2.120 . 2.120 1.838 1.759 1.974 0.041 13 0 "[ . 1 . 2]" 3
22 1 45 ARG O 1 77 VAL N 3.050 . 3.050 2.774 2.674 2.933 . 0 0 "[ . 1 . 2]" 3
23 1 43 GLY O 1 79 ASN H 2.120 . 2.120 2.045 1.956 2.142 0.022 8 0 "[ . 1 . 2]" 3
24 1 43 GLY O 1 79 ASN N 3.050 . 3.050 3.008 2.914 3.119 0.069 8 0 "[ . 1 . 2]" 3
25 1 46 TYR H 1 55 ARG O 2.120 . 2.120 1.941 1.776 2.078 0.024 17 0 "[ . 1 . 2]" 3
26 1 46 TYR N 1 55 ARG O 3.050 . 3.050 2.836 2.737 2.943 . 0 0 "[ . 1 . 2]" 3
27 1 48 ASN H 1 53 CYS O 2.120 . 2.120 2.164 2.038 2.220 0.100 4 0 "[ . 1 . 2]" 3
28 1 48 ASN N 1 53 CYS O 3.050 . 3.050 3.027 2.895 3.081 0.031 4 0 "[ . 1 . 2]" 3
29 1 46 TYR O 1 55 ARG H 2.120 . 2.120 1.741 1.653 1.816 0.147 20 0 "[ . 1 . 2]" 3
30 1 46 TYR O 1 55 ARG N 3.050 . 3.050 2.692 2.600 2.800 . 0 0 "[ . 1 . 2]" 3
31 1 44 LEU O 1 57 VAL H 2.120 . 2.120 1.867 1.779 1.998 0.021 16 0 "[ . 1 . 2]" 3
32 1 44 LEU O 1 57 VAL N 3.050 . 3.050 2.803 2.707 2.940 . 0 0 "[ . 1 . 2]" 3
33 1 9 ARG O 1 76 TYR H 2.120 . 2.120 2.050 1.811 2.207 0.087 7 0 "[ . 1 . 2]" 3
34 1 9 ARG O 1 76 TYR N 3.050 . 3.050 2.907 2.675 3.082 0.032 19 0 "[ . 1 . 2]" 3
35 1 11 THR O 1 78 VAL H 2.120 . 2.120 2.135 1.907 2.205 0.085 12 0 "[ . 1 . 2]" 3
36 1 11 THR O 1 78 VAL N 3.050 . 3.050 3.033 2.847 3.100 0.050 20 0 "[ . 1 . 2]" 3
37 1 60 VAL H 1 63 ILE O 2.120 . 2.120 1.869 1.766 1.980 0.034 6 0 "[ . 1 . 2]" 3
38 1 60 VAL N 1 63 ILE O 3.050 . 3.050 2.791 2.703 2.860 . 0 0 "[ . 1 . 2]" 3
39 1 60 VAL O 1 63 ILE H 2.120 . 2.120 1.975 1.915 2.101 . 0 0 "[ . 1 . 2]" 3
40 1 60 VAL O 1 63 ILE N 3.050 . 3.050 2.908 2.841 3.055 0.005 3 0 "[ . 1 . 2]" 3
41 1 58 ARG O 1 65 HIS H 2.120 . 2.120 1.750 1.675 1.817 0.125 15 0 "[ . 1 . 2]" 3
42 1 58 ARG O 1 65 HIS N 3.050 . 3.050 2.720 2.656 2.786 . 0 0 "[ . 1 . 2]" 3
43 1 29 VAL H 1 64 LEU O 2.120 . 2.120 2.050 1.970 2.126 0.006 19 0 "[ . 1 . 2]" 3
44 1 29 VAL N 1 64 LEU O 3.050 . 3.050 3.003 2.927 3.071 0.021 1 0 "[ . 1 . 2]" 3
45 1 31 LEU H 1 62 GLY O 2.120 . 2.120 1.936 1.804 2.132 0.012 11 0 "[ . 1 . 2]" 3
46 1 31 LEU N 1 62 GLY O 3.050 . 3.050 2.838 2.742 2.955 . 0 0 "[ . 1 . 2]" 3
47 1 29 VAL O 1 64 LEU H 2.120 . 2.120 1.788 1.728 1.909 0.072 5 0 "[ . 1 . 2]" 3
48 1 29 VAL O 1 64 LEU N 3.050 . 3.050 2.755 2.685 2.864 . 0 0 "[ . 1 . 2]" 3
49 2 8 ILE H 2 21 ILE O 2.120 . 2.120 2.052 1.907 2.177 0.057 17 0 "[ . 1 . 2]" 3
50 2 8 ILE N 2 21 ILE O 3.050 . 3.050 2.815 2.725 2.916 . 0 0 "[ . 1 . 2]" 3
51 2 10 VAL H 2 19 ILE O 2.120 . 2.120 1.914 1.785 2.046 0.015 15 0 "[ . 1 . 2]" 3
52 2 10 VAL N 2 19 ILE O 3.050 . 3.050 2.847 2.758 2.996 . 0 0 "[ . 1 . 2]" 3
53 2 10 VAL O 2 19 ILE H 2.120 . 2.120 2.034 1.761 2.180 0.060 19 0 "[ . 1 . 2]" 3
54 2 10 VAL O 2 19 ILE N 3.050 . 3.050 2.853 2.663 3.023 . 0 0 "[ . 1 . 2]" 3
55 2 8 ILE O 2 21 ILE H 2.120 . 2.120 1.987 1.788 2.145 0.025 15 0 "[ . 1 . 2]" 3
56 2 8 ILE O 2 21 ILE N 3.050 . 3.050 2.906 2.735 3.059 0.009 15 0 "[ . 1 . 2]" 3
57 2 6 GLU O 2 23 SER H 2.120 . 2.120 1.799 1.707 1.965 0.093 9 0 "[ . 1 . 2]" 3
58 2 6 GLU O 2 23 SER N 3.050 . 3.050 2.685 2.543 2.827 . 0 0 "[ . 1 . 2]" 3
59 2 31 LEU O 2 35 THR H 2.220 . 2.220 1.866 1.804 1.946 . 0 0 "[ . 1 . 2]" 3
60 2 31 LEU O 2 35 THR N 3.130 . 3.130 2.843 2.780 2.918 . 0 0 "[ . 1 . 2]" 3
61 2 32 SER O 2 36 ALA H 2.220 . 2.220 2.231 2.143 2.301 0.081 16 0 "[ . 1 . 2]" 3
62 2 32 SER O 2 36 ALA N 3.130 . 3.130 2.872 2.799 2.950 . 0 0 "[ . 1 . 2]" 3
63 2 34 VAL O 2 38 PHE H 2.220 . 2.220 1.956 1.795 2.132 0.005 1 0 "[ . 1 . 2]" 3
64 2 34 VAL O 2 38 PHE N 3.130 . 3.130 2.930 2.772 3.103 . 0 0 "[ . 1 . 2]" 3
65 2 42 CYS H 2 79 ASN O 2.120 . 2.120 2.173 2.063 2.245 0.125 20 0 "[ . 1 . 2]" 3
66 2 42 CYS N 2 79 ASN O 3.050 . 3.050 2.972 2.927 3.022 . 0 0 "[ . 1 . 2]" 3
67 2 45 ARG H 2 77 VAL O 2.120 . 2.120 1.906 1.748 2.072 0.052 3 0 "[ . 1 . 2]" 3
68 2 45 ARG N 2 77 VAL O 3.050 . 3.050 2.880 2.704 3.046 . 0 0 "[ . 1 . 2]" 3
69 2 45 ARG O 2 77 VAL H 2.120 . 2.120 2.206 2.089 2.325 0.205 2 0 "[ . 1 . 2]" 3
70 2 45 ARG O 2 77 VAL N 3.050 . 3.050 3.042 2.966 3.124 0.074 17 0 "[ . 1 . 2]" 3
71 2 43 GLY O 2 79 ASN H 2.120 . 2.120 2.026 1.863 2.153 0.033 9 0 "[ . 1 . 2]" 3
72 2 43 GLY O 2 79 ASN N 3.050 . 3.050 2.984 2.823 3.112 0.062 9 0 "[ . 1 . 2]" 3
73 2 46 TYR H 2 55 ARG O 2.120 . 2.120 1.928 1.792 2.188 0.068 3 0 "[ . 1 . 2]" 3
74 2 46 TYR N 2 55 ARG O 3.050 . 3.050 2.843 2.749 2.964 . 0 0 "[ . 1 . 2]" 3
75 2 48 ASN H 2 53 CYS O 2.120 . 2.120 1.814 1.707 1.947 0.093 17 0 "[ . 1 . 2]" 3
76 2 48 ASN N 2 53 CYS O 3.050 . 3.050 2.753 2.647 2.888 . 0 0 "[ . 1 . 2]" 3
77 2 46 TYR O 2 55 ARG H 2.120 . 2.120 2.002 1.793 2.245 0.125 7 0 "[ . 1 . 2]" 3
78 2 46 TYR O 2 55 ARG N 3.050 . 3.050 2.764 2.594 2.988 . 0 0 "[ . 1 . 2]" 3
79 2 44 LEU O 2 57 VAL H 2.120 . 2.120 2.143 1.936 2.264 0.144 3 0 "[ . 1 . 2]" 3
80 2 44 LEU O 2 57 VAL N 3.050 . 3.050 2.920 2.834 3.069 0.019 14 0 "[ . 1 . 2]" 3
81 2 11 THR O 2 78 VAL H 2.120 . 2.120 1.980 1.788 2.157 0.037 2 0 "[ . 1 . 2]" 3
82 2 11 THR O 2 78 VAL N 3.050 . 3.050 2.877 2.709 3.061 0.011 2 0 "[ . 1 . 2]" 3
83 2 60 VAL H 2 63 ILE O 2.120 . 2.120 1.975 1.837 2.117 . 0 0 "[ . 1 . 2]" 3
84 2 60 VAL N 2 63 ILE O 3.050 . 3.050 2.872 2.769 3.026 . 0 0 "[ . 1 . 2]" 3
85 2 60 VAL O 2 63 ILE H 2.120 . 2.120 1.917 1.757 2.058 0.043 13 0 "[ . 1 . 2]" 3
86 2 60 VAL O 2 63 ILE N 3.050 . 3.050 2.844 2.688 2.980 . 0 0 "[ . 1 . 2]" 3
87 2 58 ARG O 2 65 HIS H 2.120 . 2.120 1.812 1.747 2.071 0.053 13 0 "[ . 1 . 2]" 3
88 2 58 ARG O 2 65 HIS N 3.050 . 3.050 2.788 2.721 3.054 0.004 14 0 "[ . 1 . 2]" 3
89 2 29 VAL H 2 64 LEU O 2.120 . 2.120 2.016 1.901 2.137 0.017 6 0 "[ . 1 . 2]" 3
90 2 29 VAL N 2 64 LEU O 3.050 . 3.050 2.960 2.850 3.096 0.046 6 0 "[ . 1 . 2]" 3
91 2 31 LEU H 2 62 GLY O 2.120 . 2.120 2.231 2.170 2.329 0.209 8 0 "[ . 1 . 2]" 3
92 2 31 LEU N 2 62 GLY O 3.050 . 3.050 2.831 2.794 2.867 . 0 0 "[ . 1 . 2]" 3
93 2 29 VAL O 2 64 LEU H 2.120 . 2.120 1.933 1.793 2.054 0.007 12 0 "[ . 1 . 2]" 3
94 2 29 VAL O 2 64 LEU N 3.050 . 3.050 2.826 2.679 2.916 . 0 0 "[ . 1 . 2]" 3
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