NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416910 |
2dlg   |
10324 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dlg
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 1572
_Distance_constraint_stats_list.Viol_count 214
_Distance_constraint_stats_list.Viol_total 45.739
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0107
_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 GLY 0.037 0.026 5 0 "[ . 1 . 2]"
1 8 ARG 0.063 0.026 5 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.003 0.002 4 0 "[ . 1 . 2]"
1 12 VAL 0.003 0.002 4 0 "[ . 1 . 2]"
1 13 ALA 0.003 0.002 13 0 "[ . 1 . 2]"
1 14 THR 0.010 0.007 14 0 "[ . 1 . 2]"
1 15 VAL 0.019 0.009 13 0 "[ . 1 . 2]"
1 16 GLY 0.002 0.002 11 0 "[ . 1 . 2]"
1 17 SER 0.044 0.008 9 0 "[ . 1 . 2]"
1 18 ILE 0.013 0.008 9 0 "[ . 1 . 2]"
1 19 CYS 0.003 0.002 13 0 "[ . 1 . 2]"
1 20 ASP 0.005 0.004 15 0 "[ . 1 . 2]"
1 21 LEU 0.017 0.007 13 0 "[ . 1 . 2]"
1 22 ASN 0.012 0.007 13 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.024 0.011 17 0 "[ . 1 . 2]"
1 25 ILE 0.313 0.033 16 0 "[ . 1 . 2]"
1 26 PRO 0.313 0.033 16 0 "[ . 1 . 2]"
1 27 GLU 0.209 0.129 18 0 "[ . 1 . 2]"
1 28 ILE 0.006 0.003 20 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 MET 0.012 0.004 6 0 "[ . 1 . 2]"
1 34 SER 0.001 0.001 11 0 "[ . 1 . 2]"
1 35 ALA 0.001 0.001 11 0 "[ . 1 . 2]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 VAL 0.004 0.002 19 0 "[ . 1 . 2]"
1 38 THR 0.005 0.004 10 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.007 0.006 10 0 "[ . 1 . 2]"
1 41 SER 0.005 0.005 10 0 "[ . 1 . 2]"
1 42 GLY 0.007 0.006 10 0 "[ . 1 . 2]"
1 43 ARG 0.021 0.005 11 0 "[ . 1 . 2]"
1 44 VAL 0.012 0.006 19 0 "[ . 1 . 2]"
1 45 THR 0.062 0.059 19 0 "[ . 1 . 2]"
1 46 GLU 0.065 0.059 19 0 "[ . 1 . 2]"
1 47 ALA 0.005 0.002 19 0 "[ . 1 . 2]"
1 48 GLU 0.016 0.009 17 0 "[ . 1 . 2]"
1 49 ILE 0.013 0.004 6 0 "[ . 1 . 2]"
1 50 VAL 0.005 0.003 6 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 MET 0.031 0.008 8 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.053 0.053 8 0 "[ . 1 . 2]"
1 55 ASN 0.011 0.005 20 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 HIS 0.000 0.000 4 0 "[ . 1 . 2]"
1 58 CYS 0.004 0.003 20 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.215 0.084 7 0 "[ . 1 . 2]"
1 61 PHE 0.052 0.014 20 0 "[ . 1 . 2]"
1 62 VAL 0.193 0.034 12 0 "[ . 1 . 2]"
1 63 PRO 0.200 0.034 12 0 "[ . 1 . 2]"
1 64 GLN 0.003 0.002 11 0 "[ . 1 . 2]"
1 65 GLU 0.008 0.008 13 0 "[ . 1 . 2]"
1 66 MET 0.063 0.041 4 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.005 0.003 11 0 "[ . 1 . 2]"
1 69 HIS 0.005 0.002 11 0 "[ . 1 . 2]"
1 70 THR 0.002 0.001 13 0 "[ . 1 . 2]"
1 71 VAL 0.003 0.002 10 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.123 0.060 16 0 "[ . 1 . 2]"
1 75 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 0.098 0.035 14 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLN 0.085 0.030 13 0 "[ . 1 . 2]"
1 79 HIS 0.013 0.006 14 0 "[ . 1 . 2]"
1 80 VAL 0.021 0.014 11 0 "[ . 1 . 2]"
1 81 THR 0.006 0.005 7 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 4 0 "[ . 1 . 2]"
1 83 SER 0.053 0.027 5 0 "[ . 1 . 2]"
1 84 PRO 0.040 0.027 5 0 "[ . 1 . 2]"
1 85 PHE 0.001 0.001 11 0 "[ . 1 . 2]"
1 86 GLN 0.006 0.005 14 0 "[ . 1 . 2]"
1 87 PHE 0.010 0.005 14 0 "[ . 1 . 2]"
1 88 THR 0.004 0.004 11 0 "[ . 1 . 2]"
1 89 VAL 0.044 0.028 3 0 "[ . 1 . 2]"
1 90 GLY 0.508 0.030 4 0 "[ . 1 . 2]"
1 91 PRO 0.464 0.030 4 0 "[ . 1 . 2]"
1 92 LEU 0.004 0.002 4 0 "[ . 1 . 2]"
1 93 GLY 0.018 0.009 9 0 "[ . 1 . 2]"
1 94 GLU 0.018 0.009 9 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 ARG QG . . 5.200 4.111 3.379 5.226 0.026 5 0 "[ . 1 . 2]" 1
2 1 8 ARG H 1 8 ARG QG . . 4.520 2.913 1.893 4.159 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG HA 1 8 ARG QD . . 4.370 3.474 2.006 4.383 0.013 19 0 "[ . 1 . 2]" 1
4 1 8 ARG HA 1 8 ARG QG . . 3.650 2.784 2.183 3.441 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG HA 1 9 ALA H . . 3.140 2.350 2.141 2.835 . 0 0 "[ . 1 . 2]" 1
6 1 8 ARG HA 1 9 ALA MB . . 4.640 4.048 3.682 4.563 . 0 0 "[ . 1 . 2]" 1
7 1 8 ARG QB 1 9 ALA H . . 4.450 3.305 2.008 4.044 . 0 0 "[ . 1 . 2]" 1
8 1 8 ARG HB2 1 8 ARG QD . . 3.570 2.658 2.129 3.492 . 0 0 "[ . 1 . 2]" 1
9 1 8 ARG HB3 1 8 ARG QD . . 3.570 2.731 2.188 3.470 . 0 0 "[ . 1 . 2]" 1
10 1 9 ALA H 1 9 ALA MB . . 3.350 2.369 2.062 2.810 . 0 0 "[ . 1 . 2]" 1
11 1 9 ALA HA 1 10 PRO HD2 . . 3.240 2.322 2.215 2.504 . 0 0 "[ . 1 . 2]" 1
12 1 9 ALA HA 1 10 PRO QD . . 2.820 2.048 1.991 2.152 . 0 0 "[ . 1 . 2]" 1
13 1 9 ALA HA 1 10 PRO HD3 . . 3.240 2.278 2.255 2.345 . 0 0 "[ . 1 . 2]" 1
14 1 9 ALA HA 1 10 PRO HG2 . . 4.770 4.450 4.364 4.598 . 0 0 "[ . 1 . 2]" 1
15 1 9 ALA HA 1 10 PRO QG . . 4.200 3.955 3.892 4.069 . 0 0 "[ . 1 . 2]" 1
16 1 9 ALA HA 1 10 PRO HG3 . . 4.770 4.430 4.375 4.538 . 0 0 "[ . 1 . 2]" 1
17 1 9 ALA MB 1 10 PRO HD2 . . 3.810 2.234 1.980 2.465 . 0 0 "[ . 1 . 2]" 1
18 1 9 ALA MB 1 10 PRO QD . . 3.160 2.203 1.962 2.419 . 0 0 "[ . 1 . 2]" 1
19 1 9 ALA MB 1 10 PRO HD3 . . 3.810 3.369 3.166 3.518 . 0 0 "[ . 1 . 2]" 1
20 1 10 PRO HA 1 11 SER H . . 3.390 2.467 2.150 3.339 . 0 0 "[ . 1 . 2]" 1
21 1 10 PRO QB 1 11 SER H . . 4.070 2.948 2.030 3.777 . 0 0 "[ . 1 . 2]" 1
22 1 10 PRO HB2 1 11 SER H . . 4.640 3.106 2.053 4.101 . 0 0 "[ . 1 . 2]" 1
23 1 10 PRO HB3 1 11 SER H . . 4.640 3.803 3.202 4.486 . 0 0 "[ . 1 . 2]" 1
24 1 10 PRO QG 1 11 SER H . . 4.860 4.194 3.146 4.754 . 0 0 "[ . 1 . 2]" 1
25 1 11 SER H 1 11 SER QB . . 3.720 2.640 2.192 3.206 . 0 0 "[ . 1 . 2]" 1
26 1 11 SER H 1 12 VAL H . . 4.380 4.258 4.021 4.381 0.001 13 0 "[ . 1 . 2]" 1
27 1 11 SER HA 1 12 VAL H . . 2.920 2.166 2.138 2.217 . 0 0 "[ . 1 . 2]" 1
28 1 11 SER HA 1 12 VAL MG1 . . 5.080 4.016 3.662 4.483 . 0 0 "[ . 1 . 2]" 1
29 1 11 SER HA 1 12 VAL MG2 . . 4.360 3.643 3.454 3.825 . 0 0 "[ . 1 . 2]" 1
30 1 11 SER HA 1 13 ALA H . . 4.730 3.598 3.318 4.002 . 0 0 "[ . 1 . 2]" 1
31 1 11 SER QB 1 12 VAL H . . 3.740 3.528 3.115 3.742 0.002 4 0 "[ . 1 . 2]" 1
32 1 11 SER QB 1 13 ALA H . . 4.790 3.589 2.837 4.187 . 0 0 "[ . 1 . 2]" 1
33 1 12 VAL H 1 12 VAL HB . . 3.690 3.628 3.542 3.691 0.001 6 0 "[ . 1 . 2]" 1
34 1 12 VAL H 1 12 VAL MG1 . . 3.570 2.596 2.133 3.148 . 0 0 "[ . 1 . 2]" 1
35 1 12 VAL H 1 12 VAL MG2 . . 3.700 1.937 1.807 2.044 . 0 0 "[ . 1 . 2]" 1
36 1 12 VAL H 1 13 ALA H . . 3.610 2.354 2.027 2.791 . 0 0 "[ . 1 . 2]" 1
37 1 12 VAL HA 1 12 VAL MG1 . . 3.120 2.264 2.099 2.398 . 0 0 "[ . 1 . 2]" 1
38 1 12 VAL HA 1 12 VAL MG2 . . 3.490 3.191 3.151 3.203 . 0 0 "[ . 1 . 2]" 1
39 1 12 VAL HA 1 13 ALA HA . . 4.900 4.548 4.495 4.634 . 0 0 "[ . 1 . 2]" 1
40 1 12 VAL HB 1 13 ALA H . . 4.000 3.818 3.549 3.987 . 0 0 "[ . 1 . 2]" 1
41 1 12 VAL HB 1 13 ALA HA . . 5.070 4.652 4.437 5.054 . 0 0 "[ . 1 . 2]" 1
42 1 12 VAL MG2 1 13 ALA H . . 3.610 2.204 1.858 2.586 . 0 0 "[ . 1 . 2]" 1
43 1 12 VAL MG2 1 13 ALA MB . . 3.950 2.595 2.323 2.883 . 0 0 "[ . 1 . 2]" 1
44 1 12 VAL MG2 1 87 PHE QD . . 4.710 3.455 3.020 4.215 . 0 0 "[ . 1 . 2]" 1
45 1 13 ALA H 1 13 ALA MB . . 3.220 2.468 2.236 2.836 . 0 0 "[ . 1 . 2]" 1
46 1 13 ALA H 1 90 GLY H . . 4.760 4.403 3.557 4.760 . 13 0 "[ . 1 . 2]" 1
47 1 13 ALA HA 1 14 THR H . . 2.850 2.351 2.162 2.617 . 0 0 "[ . 1 . 2]" 1
48 1 13 ALA MB 1 14 THR H . . 3.490 2.589 1.978 3.073 . 0 0 "[ . 1 . 2]" 1
49 1 13 ALA MB 1 14 THR HA . . 4.760 4.069 3.813 4.254 . 0 0 "[ . 1 . 2]" 1
50 1 13 ALA MB 1 19 CYS HA . . 4.470 4.235 3.950 4.467 . 0 0 "[ . 1 . 2]" 1
51 1 13 ALA MB 1 19 CYS HB2 . . 4.260 3.174 2.700 3.491 . 0 0 "[ . 1 . 2]" 1
52 1 13 ALA MB 1 19 CYS QB . . 3.690 3.075 2.644 3.341 . 0 0 "[ . 1 . 2]" 1
53 1 13 ALA MB 1 19 CYS HB3 . . 4.260 4.142 3.776 4.262 0.002 13 0 "[ . 1 . 2]" 1
54 1 13 ALA MB 1 63 PRO HB2 . . 4.590 4.188 3.916 4.547 . 0 0 "[ . 1 . 2]" 1
55 1 13 ALA MB 1 63 PRO HB3 . . 4.580 3.913 3.482 4.415 . 0 0 "[ . 1 . 2]" 1
56 1 13 ALA MB 1 63 PRO HG2 . . 4.390 4.160 3.937 4.362 . 0 0 "[ . 1 . 2]" 1
57 1 13 ALA MB 1 87 PHE QD . . 3.770 2.645 2.287 3.108 . 0 0 "[ . 1 . 2]" 1
58 1 13 ALA MB 1 87 PHE QE . . 3.570 3.058 2.590 3.480 . 0 0 "[ . 1 . 2]" 1
59 1 13 ALA MB 1 87 PHE HZ . . 4.900 4.448 3.862 4.819 . 0 0 "[ . 1 . 2]" 1
60 1 13 ALA MB 1 89 VAL HA . . 3.550 2.904 2.430 3.299 . 0 0 "[ . 1 . 2]" 1
61 1 13 ALA MB 1 89 VAL MG1 . . 3.930 3.127 2.656 3.433 . 0 0 "[ . 1 . 2]" 1
62 1 13 ALA MB 1 89 VAL MG2 . . 3.370 2.567 2.002 3.258 . 0 0 "[ . 1 . 2]" 1
63 1 13 ALA MB 1 90 GLY H . . 4.500 4.138 3.576 4.496 . 0 0 "[ . 1 . 2]" 1
64 1 14 THR H 1 14 THR HB . . 3.700 2.728 2.497 3.568 . 0 0 "[ . 1 . 2]" 1
65 1 14 THR H 1 14 THR MG . . 3.950 3.834 3.296 3.941 . 0 0 "[ . 1 . 2]" 1
66 1 14 THR H 1 15 VAL H . . 4.760 4.501 4.391 4.565 . 0 0 "[ . 1 . 2]" 1
67 1 14 THR H 1 17 SER QB . . 4.210 3.959 3.268 4.217 0.007 14 0 "[ . 1 . 2]" 1
68 1 14 THR H 1 63 PRO HG2 . . 5.010 4.562 4.147 4.917 . 0 0 "[ . 1 . 2]" 1
69 1 14 THR H 1 63 PRO HG3 . . 4.880 3.865 3.345 4.287 . 0 0 "[ . 1 . 2]" 1
70 1 14 THR H 1 89 VAL MG1 . . 4.220 3.929 3.593 4.210 . 0 0 "[ . 1 . 2]" 1
71 1 14 THR HA 1 14 THR MG . . 3.430 2.298 2.048 2.490 . 0 0 "[ . 1 . 2]" 1
72 1 14 THR HA 1 15 VAL H . . 2.910 2.293 2.212 2.440 . 0 0 "[ . 1 . 2]" 1
73 1 14 THR HA 1 15 VAL HA . . 5.230 4.337 4.325 4.376 . 0 0 "[ . 1 . 2]" 1
74 1 14 THR HA 1 89 VAL HA . . 4.890 4.382 3.971 4.752 . 0 0 "[ . 1 . 2]" 1
75 1 14 THR HA 1 89 VAL MG1 . . 4.040 3.025 2.677 3.470 . 0 0 "[ . 1 . 2]" 1
76 1 14 THR HA 1 90 GLY H . . 3.540 3.207 2.729 3.351 . 0 0 "[ . 1 . 2]" 1
77 1 14 THR HB 1 15 VAL H . . 3.930 3.682 2.382 3.897 . 0 0 "[ . 1 . 2]" 1
78 1 14 THR HB 1 15 VAL MG1 . . 5.230 4.729 3.711 4.938 . 0 0 "[ . 1 . 2]" 1
79 1 14 THR HB 1 17 SER H . . 4.750 3.577 3.047 3.851 . 0 0 "[ . 1 . 2]" 1
80 1 14 THR HB 1 89 VAL MG1 . . 5.500 4.820 4.622 5.113 . 0 0 "[ . 1 . 2]" 1
81 1 14 THR HB 1 92 LEU HA . . 4.790 4.413 2.599 4.706 . 0 0 "[ . 1 . 2]" 1
82 1 14 THR MG 1 15 VAL H . . 3.600 2.079 1.798 3.062 . 0 0 "[ . 1 . 2]" 1
83 1 14 THR MG 1 17 SER H . . 4.530 3.047 2.383 4.534 0.004 14 0 "[ . 1 . 2]" 1
84 1 14 THR MG 1 17 SER HB2 . . 4.600 2.765 2.251 4.213 . 0 0 "[ . 1 . 2]" 1
85 1 14 THR MG 1 17 SER QB . . 4.050 2.624 2.216 3.237 . 0 0 "[ . 1 . 2]" 1
86 1 14 THR MG 1 17 SER HB3 . . 4.600 3.656 2.556 4.153 . 0 0 "[ . 1 . 2]" 1
87 1 14 THR MG 1 90 GLY H . . 4.860 4.657 4.392 4.857 . 0 0 "[ . 1 . 2]" 1
88 1 14 THR MG 1 92 LEU H . . 4.470 4.005 3.848 4.381 . 0 0 "[ . 1 . 2]" 1
89 1 14 THR MG 1 92 LEU HA . . 3.650 1.938 1.818 2.670 . 0 0 "[ . 1 . 2]" 1
90 1 14 THR MG 1 93 GLY H . . 4.620 4.223 3.553 4.500 . 0 0 "[ . 1 . 2]" 1
91 1 15 VAL H 1 15 VAL HB . . 3.130 2.729 2.564 3.000 . 0 0 "[ . 1 . 2]" 1
92 1 15 VAL H 1 15 VAL MG1 . . 3.520 2.028 1.877 2.199 . 0 0 "[ . 1 . 2]" 1
93 1 15 VAL H 1 16 GLY H . . 4.680 4.556 4.337 4.618 . 0 0 "[ . 1 . 2]" 1
94 1 15 VAL H 1 66 MET ME . . 5.500 5.018 4.414 5.455 . 0 0 "[ . 1 . 2]" 1
95 1 15 VAL H 1 90 GLY H . . 4.630 4.012 3.791 4.351 . 0 0 "[ . 1 . 2]" 1
96 1 15 VAL H 1 91 PRO HA . . 4.830 4.665 4.205 4.818 . 0 0 "[ . 1 . 2]" 1
97 1 15 VAL H 1 92 LEU H . . 4.290 4.145 3.521 4.290 . 0 0 "[ . 1 . 2]" 1
98 1 15 VAL H 1 92 LEU HA . . 4.850 2.740 2.105 3.150 . 0 0 "[ . 1 . 2]" 1
99 1 15 VAL HA 1 15 VAL MG2 . . 3.180 2.386 2.227 2.462 . 0 0 "[ . 1 . 2]" 1
100 1 15 VAL HA 1 16 GLY H . . 2.960 2.184 2.145 2.239 . 0 0 "[ . 1 . 2]" 1
101 1 15 VAL HA 1 16 GLY HA2 . . 4.710 4.428 4.378 4.467 . 0 0 "[ . 1 . 2]" 1
102 1 15 VAL HA 1 16 GLY QA . . 4.120 3.950 3.905 3.985 . 0 0 "[ . 1 . 2]" 1
103 1 15 VAL HA 1 16 GLY HA3 . . 4.710 4.440 4.387 4.479 . 0 0 "[ . 1 . 2]" 1
104 1 15 VAL HA 1 17 SER H . . 3.950 3.823 3.672 3.931 . 0 0 "[ . 1 . 2]" 1
105 1 15 VAL HA 1 63 PRO HB2 . . 3.820 3.578 3.229 3.763 . 0 0 "[ . 1 . 2]" 1
106 1 15 VAL HA 1 63 PRO HB3 . . 5.120 4.993 4.678 5.121 0.001 4 0 "[ . 1 . 2]" 1
107 1 15 VAL HA 1 63 PRO HG2 . . 3.560 2.474 2.225 2.664 . 0 0 "[ . 1 . 2]" 1
108 1 15 VAL HA 1 63 PRO HG3 . . 4.580 3.967 3.745 4.171 . 0 0 "[ . 1 . 2]" 1
109 1 15 VAL HA 1 65 GLU HA . . 5.500 4.170 3.824 4.547 . 0 0 "[ . 1 . 2]" 1
110 1 15 VAL HA 1 89 VAL MG1 . . 3.880 2.215 1.986 2.371 . 0 0 "[ . 1 . 2]" 1
111 1 15 VAL HB 1 16 GLY H . . 4.300 4.109 4.010 4.283 . 0 0 "[ . 1 . 2]" 1
112 1 15 VAL HB 1 65 GLU HA . . 4.440 2.480 2.071 2.928 . 0 0 "[ . 1 . 2]" 1
113 1 15 VAL HB 1 89 VAL MG1 . . 4.700 2.113 1.922 2.284 . 0 0 "[ . 1 . 2]" 1
114 1 15 VAL HB 1 91 PRO HA . . 4.760 4.385 4.047 4.721 . 0 0 "[ . 1 . 2]" 1
115 1 15 VAL HB 1 92 LEU H . . 4.520 4.446 4.266 4.522 0.002 4 0 "[ . 1 . 2]" 1
116 1 15 VAL HB 1 92 LEU HA . . 4.660 4.562 4.436 4.652 . 0 0 "[ . 1 . 2]" 1
117 1 15 VAL MG1 1 16 GLY H . . 5.240 3.940 3.784 4.150 . 0 0 "[ . 1 . 2]" 1
118 1 15 VAL MG1 1 17 SER H . . 4.800 3.961 3.820 4.068 . 0 0 "[ . 1 . 2]" 1
119 1 15 VAL MG1 1 65 GLU HB3 . . 3.890 3.591 3.168 3.882 . 0 0 "[ . 1 . 2]" 1
120 1 15 VAL MG1 1 66 MET ME . . 3.800 2.997 2.754 3.265 . 0 0 "[ . 1 . 2]" 1
121 1 15 VAL MG1 1 91 PRO HA . . 4.540 2.633 2.171 2.860 . 0 0 "[ . 1 . 2]" 1
122 1 15 VAL MG1 1 92 LEU H . . 4.060 2.093 1.951 2.154 . 0 0 "[ . 1 . 2]" 1
123 1 15 VAL MG1 1 92 LEU HA . . 3.260 2.029 1.949 2.186 . 0 0 "[ . 1 . 2]" 1
124 1 15 VAL MG1 1 92 LEU QB . . 3.280 1.995 1.797 2.202 . 0 0 "[ . 1 . 2]" 1
125 1 15 VAL MG2 1 16 GLY H . . 3.320 2.332 1.977 2.918 . 0 0 "[ . 1 . 2]" 1
126 1 15 VAL MG2 1 16 GLY HA2 . . 4.390 3.473 3.339 3.812 . 0 0 "[ . 1 . 2]" 1
127 1 15 VAL MG2 1 16 GLY HA3 . . 4.390 3.275 3.114 3.521 . 0 0 "[ . 1 . 2]" 1
128 1 15 VAL MG2 1 17 SER H . . 4.420 4.300 4.190 4.420 0.000 6 0 "[ . 1 . 2]" 1
129 1 15 VAL MG2 1 63 PRO HG2 . . 4.300 4.053 3.758 4.244 . 0 0 "[ . 1 . 2]" 1
130 1 15 VAL MG2 1 64 GLN H . . 4.670 4.424 4.182 4.664 . 0 0 "[ . 1 . 2]" 1
131 1 15 VAL MG2 1 64 GLN HA . . 3.820 3.043 2.791 3.392 . 0 0 "[ . 1 . 2]" 1
132 1 15 VAL MG2 1 64 GLN HB3 . . 5.020 4.356 4.205 4.622 . 0 0 "[ . 1 . 2]" 1
133 1 15 VAL MG2 1 65 GLU H . . 3.210 2.782 2.606 3.088 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL MG2 1 65 GLU HA . . 3.580 2.027 1.787 2.208 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL MG2 1 65 GLU HB3 . . 3.770 2.015 1.862 2.989 . 0 0 "[ . 1 . 2]" 1
136 1 15 VAL MG2 1 65 GLU QG . . 4.450 3.471 1.723 3.845 . 0 0 "[ . 1 . 2]" 1
137 1 15 VAL MG2 1 66 MET H . . 3.990 3.851 3.388 3.999 0.009 13 0 "[ . 1 . 2]" 1
138 1 15 VAL MG2 1 66 MET ME . . 3.760 3.408 2.928 3.721 . 0 0 "[ . 1 . 2]" 1
139 1 15 VAL MG2 1 92 LEU H . . 4.480 4.364 4.138 4.481 0.001 15 0 "[ . 1 . 2]" 1
140 1 16 GLY H 1 17 SER H . . 3.440 3.245 3.063 3.408 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLY H 1 62 VAL HA . . 4.990 4.800 4.669 4.963 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLY H 1 62 VAL MG1 . . 3.700 3.177 2.979 3.586 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLY H 1 63 PRO HD3 . . 5.170 5.082 4.660 5.172 0.002 11 0 "[ . 1 . 2]" 1
144 1 16 GLY H 1 63 PRO HG2 . . 3.850 2.848 2.227 3.096 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLY H 1 63 PRO HG3 . . 4.970 4.576 3.971 4.798 . 0 0 "[ . 1 . 2]" 1
146 1 16 GLY H 1 64 GLN HA . . 4.370 4.149 3.871 4.342 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLY H 1 89 VAL MG1 . . 5.500 3.904 3.419 4.097 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLY QA 1 62 VAL MG1 . . 3.220 2.440 2.228 2.628 . 0 0 "[ . 1 . 2]" 1
149 1 16 GLY HA2 1 62 VAL MG1 . . 3.970 2.469 2.249 2.667 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLY HA3 1 62 VAL MG1 . . 3.970 3.828 3.617 3.970 . 0 0 "[ . 1 . 2]" 1
151 1 17 SER H 1 17 SER HB2 . . 3.750 2.444 2.184 3.508 . 0 0 "[ . 1 . 2]" 1
152 1 17 SER H 1 17 SER QB . . 3.040 2.328 2.163 2.703 . 0 0 "[ . 1 . 2]" 1
153 1 17 SER H 1 17 SER HB3 . . 3.750 3.353 2.203 3.607 . 0 0 "[ . 1 . 2]" 1
154 1 17 SER H 1 18 ILE H . . 4.850 4.597 4.487 4.631 . 0 0 "[ . 1 . 2]" 1
155 1 17 SER H 1 62 VAL MG1 . . 4.430 4.372 4.189 4.435 0.005 13 0 "[ . 1 . 2]" 1
156 1 17 SER H 1 63 PRO HD2 . . 4.610 4.437 4.246 4.525 . 0 0 "[ . 1 . 2]" 1
157 1 17 SER H 1 63 PRO HG2 . . 4.420 4.355 4.040 4.425 0.005 12 0 "[ . 1 . 2]" 1
158 1 17 SER H 1 92 LEU QB . . 4.880 4.530 4.130 4.815 . 0 0 "[ . 1 . 2]" 1
159 1 17 SER HA 1 18 ILE H . . 2.910 2.230 2.139 2.360 . 0 0 "[ . 1 . 2]" 1
160 1 17 SER HA 1 18 ILE HB . . 4.920 4.804 4.599 4.916 . 0 0 "[ . 1 . 2]" 1
161 1 17 SER QB 1 18 ILE H . . 3.360 3.027 2.627 3.368 0.008 9 0 "[ . 1 . 2]" 1
162 1 17 SER QB 1 18 ILE HG12 . . 5.160 4.814 4.475 5.120 . 0 0 "[ . 1 . 2]" 1
163 1 17 SER QB 1 63 PRO HG2 . . 5.330 5.094 4.775 5.284 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE H 1 18 ILE HB . . 2.880 2.601 2.516 2.662 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE H 1 18 ILE MD . . 3.550 3.188 2.674 3.530 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE H 1 18 ILE HG12 . . 3.740 1.999 1.899 2.140 . 0 0 "[ . 1 . 2]" 1
167 1 18 ILE H 1 18 ILE HG13 . . 3.570 3.479 3.303 3.564 . 0 0 "[ . 1 . 2]" 1
168 1 18 ILE H 1 18 ILE MG . . 3.920 3.765 3.760 3.782 . 0 0 "[ . 1 . 2]" 1
169 1 18 ILE H 1 19 CYS H . . 4.740 4.543 4.439 4.624 . 0 0 "[ . 1 . 2]" 1
170 1 18 ILE H 1 62 VAL MG2 . . 4.590 4.480 4.240 4.592 0.002 11 0 "[ . 1 . 2]" 1
171 1 18 ILE HA 1 18 ILE MD . . 3.170 2.088 1.972 2.294 . 0 0 "[ . 1 . 2]" 1
172 1 18 ILE HA 1 18 ILE HG12 . . 3.790 3.026 2.782 3.273 . 0 0 "[ . 1 . 2]" 1
173 1 18 ILE HA 1 18 ILE HG13 . . 3.890 3.749 3.692 3.794 . 0 0 "[ . 1 . 2]" 1
174 1 18 ILE HA 1 18 ILE MG . . 3.350 2.330 2.250 2.444 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE HA 1 19 CYS H . . 2.820 2.162 2.139 2.240 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE HA 1 19 CYS HB2 . . 5.030 4.408 4.268 4.546 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE HA 1 19 CYS QB . . 4.400 4.046 4.000 4.099 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE HA 1 19 CYS HB3 . . 5.030 4.728 4.519 4.965 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE HA 1 61 PHE H . . 4.700 3.978 3.554 4.340 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE HA 1 62 VAL HA . . 4.340 3.228 2.917 3.566 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE HA 1 62 VAL MG2 . . 3.220 3.104 2.701 3.221 0.001 13 0 "[ . 1 . 2]" 1
182 1 18 ILE HA 1 63 PRO HD3 . . 4.780 4.116 3.715 4.555 . 0 0 "[ . 1 . 2]" 1
183 1 18 ILE HB 1 18 ILE MD . . 3.250 3.219 3.195 3.230 . 0 0 "[ . 1 . 2]" 1
184 1 18 ILE HB 1 19 CYS H . . 4.350 4.138 3.901 4.323 . 0 0 "[ . 1 . 2]" 1
185 1 18 ILE MD 1 19 CYS H . . 3.720 3.598 3.333 3.719 . 0 0 "[ . 1 . 2]" 1
186 1 18 ILE HG12 1 18 ILE MG . . 3.310 3.191 3.168 3.203 . 0 0 "[ . 1 . 2]" 1
187 1 18 ILE HG12 1 19 CYS H . . 5.390 5.039 4.832 5.255 . 0 0 "[ . 1 . 2]" 1
188 1 18 ILE HG13 1 18 ILE MG . . 3.590 2.379 2.263 2.525 . 0 0 "[ . 1 . 2]" 1
189 1 18 ILE MG 1 19 CYS H . . 3.520 2.492 1.935 2.962 . 0 0 "[ . 1 . 2]" 1
190 1 18 ILE MG 1 19 CYS HA . . 4.630 3.877 3.600 4.092 . 0 0 "[ . 1 . 2]" 1
191 1 18 ILE MG 1 20 ASP H . . 4.940 4.081 3.478 4.552 . 0 0 "[ . 1 . 2]" 1
192 1 18 ILE MG 1 60 ARG HA . . 4.550 2.911 2.438 3.490 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE MG 1 60 ARG HB2 . . 4.490 3.418 2.957 4.087 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE MG 1 60 ARG QB . . 3.800 2.738 2.157 3.575 . 0 0 "[ . 1 . 2]" 1
195 1 18 ILE MG 1 60 ARG HB3 . . 4.490 3.275 2.178 4.280 . 0 0 "[ . 1 . 2]" 1
196 1 18 ILE MG 1 60 ARG HD2 . . 4.100 2.824 1.973 3.776 . 0 0 "[ . 1 . 2]" 1
197 1 18 ILE MG 1 60 ARG QD . . 3.420 2.382 1.952 3.388 . 0 0 "[ . 1 . 2]" 1
198 1 18 ILE MG 1 60 ARG HD3 . . 4.100 3.120 2.086 4.025 . 0 0 "[ . 1 . 2]" 1
199 1 18 ILE MG 1 60 ARG HE . . 4.290 3.046 1.885 4.279 . 0 0 "[ . 1 . 2]" 1
200 1 18 ILE MG 1 60 ARG HG2 . . 3.490 2.510 1.830 3.376 . 0 0 "[ . 1 . 2]" 1
201 1 18 ILE MG 1 60 ARG QG . . 2.920 1.870 1.772 1.973 . 0 0 "[ . 1 . 2]" 1
202 1 18 ILE MG 1 60 ARG HG3 . . 3.490 2.571 1.836 3.387 . 0 0 "[ . 1 . 2]" 1
203 1 18 ILE MG 1 61 PHE H . . 4.160 2.678 2.139 3.465 . 0 0 "[ . 1 . 2]" 1
204 1 19 CYS H 1 19 CYS HB2 . . 3.670 2.730 2.388 3.007 . 0 0 "[ . 1 . 2]" 1
205 1 19 CYS H 1 19 CYS HB3 . . 3.670 2.638 2.450 2.827 . 0 0 "[ . 1 . 2]" 1
206 1 19 CYS H 1 20 ASP H . . 4.690 4.350 4.016 4.532 . 0 0 "[ . 1 . 2]" 1
207 1 19 CYS H 1 60 ARG HA . . 4.760 4.105 3.484 4.727 . 0 0 "[ . 1 . 2]" 1
208 1 19 CYS H 1 60 ARG QG . . 4.650 4.302 3.848 4.636 . 0 0 "[ . 1 . 2]" 1
209 1 19 CYS H 1 61 PHE QD . . 4.350 4.025 3.617 4.325 . 0 0 "[ . 1 . 2]" 1
210 1 19 CYS H 1 62 VAL HA . . 4.250 3.568 3.061 4.148 . 0 0 "[ . 1 . 2]" 1
211 1 19 CYS H 1 63 PRO HD2 . . 4.280 3.736 3.397 4.220 . 0 0 "[ . 1 . 2]" 1
212 1 19 CYS H 1 63 PRO HD3 . . 4.450 3.162 2.832 3.531 . 0 0 "[ . 1 . 2]" 1
213 1 19 CYS HA 1 20 ASP H . . 2.930 2.158 2.138 2.207 . 0 0 "[ . 1 . 2]" 1
214 1 19 CYS QB 1 61 PHE H . . 4.080 3.329 3.182 3.498 . 0 0 "[ . 1 . 2]" 1
215 1 19 CYS QB 1 63 PRO HD2 . . 4.090 3.483 3.052 3.837 . 0 0 "[ . 1 . 2]" 1
216 1 19 CYS QB 1 63 PRO HD3 . . 4.380 2.447 2.064 2.901 . 0 0 "[ . 1 . 2]" 1
217 1 19 CYS QB 1 63 PRO HG3 . . 4.120 2.630 2.362 2.863 . 0 0 "[ . 1 . 2]" 1
218 1 19 CYS HB2 1 20 ASP H . . 4.510 4.383 4.136 4.510 . 0 0 "[ . 1 . 2]" 1
219 1 19 CYS HB2 1 61 PHE H . . 4.840 4.628 4.343 4.760 . 0 0 "[ . 1 . 2]" 1
220 1 19 CYS HB2 1 61 PHE QD . . 4.730 4.022 3.584 4.320 . 0 0 "[ . 1 . 2]" 1
221 1 19 CYS HB2 1 61 PHE QE . . 5.070 3.139 2.747 3.530 . 0 0 "[ . 1 . 2]" 1
222 1 19 CYS HB2 1 63 PRO HD3 . . 5.040 2.595 2.126 3.116 . 0 0 "[ . 1 . 2]" 1
223 1 19 CYS HB2 1 63 PRO HG3 . . 4.720 2.672 2.396 2.907 . 0 0 "[ . 1 . 2]" 1
224 1 19 CYS HB2 1 87 PHE QE . . 5.500 4.893 4.386 5.350 . 0 0 "[ . 1 . 2]" 1
225 1 19 CYS HB2 1 87 PHE HZ . . 5.500 5.128 4.511 5.386 . 0 0 "[ . 1 . 2]" 1
226 1 19 CYS HB3 1 20 ASP H . . 4.510 4.194 3.902 4.452 . 0 0 "[ . 1 . 2]" 1
227 1 19 CYS HB3 1 61 PHE H . . 4.840 3.416 3.258 3.605 . 0 0 "[ . 1 . 2]" 1
228 1 19 CYS HB3 1 61 PHE QD . . 4.730 3.304 3.105 3.673 . 0 0 "[ . 1 . 2]" 1
229 1 19 CYS HB3 1 61 PHE QE . . 5.070 2.770 2.382 3.025 . 0 0 "[ . 1 . 2]" 1
230 1 19 CYS HB3 1 63 PRO HD3 . . 5.040 3.052 2.523 3.496 . 0 0 "[ . 1 . 2]" 1
231 1 19 CYS HB3 1 63 PRO HG3 . . 4.720 3.947 3.581 4.293 . 0 0 "[ . 1 . 2]" 1
232 1 19 CYS HB3 1 87 PHE QE . . 5.500 4.926 4.659 5.173 . 0 0 "[ . 1 . 2]" 1
233 1 19 CYS HB3 1 87 PHE HZ . . 5.500 4.738 4.328 5.040 . 0 0 "[ . 1 . 2]" 1
234 1 20 ASP H 1 20 ASP HB2 . . 3.930 2.842 2.318 3.809 . 0 0 "[ . 1 . 2]" 1
235 1 20 ASP H 1 20 ASP QB . . 3.210 2.602 2.291 3.072 . 0 0 "[ . 1 . 2]" 1
236 1 20 ASP H 1 20 ASP HB3 . . 3.930 3.501 2.729 3.760 . 0 0 "[ . 1 . 2]" 1
237 1 20 ASP H 1 21 LEU H . . 4.760 4.455 4.295 4.554 . 0 0 "[ . 1 . 2]" 1
238 1 20 ASP HA 1 21 LEU H . . 2.830 2.172 2.139 2.245 . 0 0 "[ . 1 . 2]" 1
239 1 20 ASP HA 1 21 LEU QB . . 4.770 3.982 3.917 4.040 . 0 0 "[ . 1 . 2]" 1
240 1 20 ASP HA 1 59 VAL HB . . 5.290 4.537 4.263 4.839 . 0 0 "[ . 1 . 2]" 1
241 1 20 ASP HA 1 60 ARG HA . . 3.670 3.029 2.670 3.294 . 0 0 "[ . 1 . 2]" 1
242 1 20 ASP HA 1 60 ARG QB . . 5.270 4.395 3.698 4.931 . 0 0 "[ . 1 . 2]" 1
243 1 20 ASP HA 1 60 ARG QG . . 5.080 4.057 2.810 5.081 0.001 19 0 "[ . 1 . 2]" 1
244 1 20 ASP HA 1 61 PHE H . . 4.760 4.409 3.995 4.764 0.004 15 0 "[ . 1 . 2]" 1
245 1 20 ASP QB 1 21 LEU H . . 3.740 3.124 2.855 3.353 . 0 0 "[ . 1 . 2]" 1
246 1 20 ASP QB 1 22 ASN QD . . 4.240 3.789 2.820 4.148 . 0 0 "[ . 1 . 2]" 1
247 1 20 ASP HB2 1 21 LEU H . . 4.570 3.888 2.938 4.330 . 0 0 "[ . 1 . 2]" 1
248 1 20 ASP HB3 1 21 LEU H . . 4.570 3.475 2.911 4.274 . 0 0 "[ . 1 . 2]" 1
249 1 21 LEU H 1 21 LEU HB2 . . 3.620 2.573 2.421 2.838 . 0 0 "[ . 1 . 2]" 1
250 1 21 LEU H 1 21 LEU HB3 . . 3.620 2.805 2.747 2.862 . 0 0 "[ . 1 . 2]" 1
251 1 21 LEU H 1 21 LEU MD1 . . 4.700 3.981 3.808 4.232 . 0 0 "[ . 1 . 2]" 1
252 1 21 LEU H 1 21 LEU MD2 . . 4.620 4.386 4.263 4.482 . 0 0 "[ . 1 . 2]" 1
253 1 21 LEU H 1 21 LEU HG . . 4.680 4.622 4.581 4.665 . 0 0 "[ . 1 . 2]" 1
254 1 21 LEU H 1 22 ASN H . . 4.630 4.379 4.153 4.589 . 0 0 "[ . 1 . 2]" 1
255 1 21 LEU H 1 58 CYS HA . . 3.820 3.599 3.320 3.823 0.003 20 0 "[ . 1 . 2]" 1
256 1 21 LEU H 1 59 VAL HB . . 3.970 3.048 2.764 3.420 . 0 0 "[ . 1 . 2]" 1
257 1 21 LEU H 1 60 ARG HA . . 4.500 4.319 3.956 4.496 . 0 0 "[ . 1 . 2]" 1
258 1 21 LEU HA 1 21 LEU MD1 . . 3.760 2.142 1.975 2.485 . 0 0 "[ . 1 . 2]" 1
259 1 21 LEU HA 1 21 LEU MD2 . . 4.040 3.830 3.803 3.870 . 0 0 "[ . 1 . 2]" 1
260 1 21 LEU HA 1 21 LEU HG . . 4.220 2.787 2.591 2.922 . 0 0 "[ . 1 . 2]" 1
261 1 21 LEU HA 1 22 ASN H . . 2.880 2.175 2.139 2.287 . 0 0 "[ . 1 . 2]" 1
262 1 21 LEU HA 1 59 VAL HB . . 4.730 4.508 4.296 4.672 . 0 0 "[ . 1 . 2]" 1
263 1 21 LEU QB 1 21 LEU MD2 . . 3.240 2.051 1.967 2.099 . 0 0 "[ . 1 . 2]" 1
264 1 21 LEU QB 1 22 ASN H . . 3.880 3.690 3.348 3.887 0.007 13 0 "[ . 1 . 2]" 1
265 1 21 LEU QB 1 23 LEU MD1 . . 4.550 3.113 2.538 3.651 . 0 0 "[ . 1 . 2]" 1
266 1 21 LEU QB 1 58 CYS HA . . 5.340 3.831 3.290 4.175 . 0 0 "[ . 1 . 2]" 1
267 1 21 LEU QB 1 59 VAL HB . . 3.240 1.948 1.794 2.069 . 0 0 "[ . 1 . 2]" 1
268 1 21 LEU QB 1 59 VAL MG1 . . 3.520 3.194 2.870 3.403 . 0 0 "[ . 1 . 2]" 1
269 1 21 LEU QB 1 59 VAL MG2 . . 3.510 2.477 2.141 2.907 . 0 0 "[ . 1 . 2]" 1
270 1 21 LEU HB2 1 59 VAL H . . 4.700 3.418 2.971 3.772 . 0 0 "[ . 1 . 2]" 1
271 1 21 LEU HB2 1 59 VAL HB . . 3.750 2.158 2.003 2.409 . 0 0 "[ . 1 . 2]" 1
272 1 21 LEU HB2 1 59 VAL MG1 . . 4.200 3.407 3.019 3.604 . 0 0 "[ . 1 . 2]" 1
273 1 21 LEU HB2 1 59 VAL MG2 . . 4.060 3.396 3.158 3.850 . 0 0 "[ . 1 . 2]" 1
274 1 21 LEU HB3 1 59 VAL H . . 4.700 2.505 2.100 2.767 . 0 0 "[ . 1 . 2]" 1
275 1 21 LEU HB3 1 59 VAL HB . . 3.750 2.268 2.004 2.564 . 0 0 "[ . 1 . 2]" 1
276 1 21 LEU HB3 1 59 VAL MG1 . . 4.200 3.877 3.587 4.179 . 0 0 "[ . 1 . 2]" 1
277 1 21 LEU HB3 1 59 VAL MG2 . . 4.060 2.549 2.177 3.008 . 0 0 "[ . 1 . 2]" 1
278 1 21 LEU MD1 1 22 ASN H . . 4.040 3.235 2.577 3.959 . 0 0 "[ . 1 . 2]" 1
279 1 21 LEU MD1 1 59 VAL HB . . 4.260 3.978 3.783 4.260 . 0 0 "[ . 1 . 2]" 1
280 1 21 LEU MD1 1 71 VAL HB . . 4.260 4.135 3.741 4.262 0.002 10 0 "[ . 1 . 2]" 1
281 1 21 LEU MD1 1 85 PHE HB3 . . 4.680 3.843 3.315 4.289 . 0 0 "[ . 1 . 2]" 1
282 1 21 LEU MD1 1 85 PHE QD . . 4.600 4.347 3.881 4.561 . 0 0 "[ . 1 . 2]" 1
283 1 21 LEU MD1 1 87 PHE QD . . 4.280 3.922 3.643 4.201 . 0 0 "[ . 1 . 2]" 1
284 1 21 LEU MD1 1 87 PHE QE . . 4.760 4.369 4.073 4.743 . 0 0 "[ . 1 . 2]" 1
285 1 21 LEU MD2 1 59 VAL HB . . 4.110 2.775 2.343 3.009 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU MD2 1 59 VAL MG1 . . 4.430 3.230 2.897 3.491 . 0 0 "[ . 1 . 2]" 1
287 1 21 LEU MD2 1 59 VAL MG2 . . 3.890 2.310 1.993 2.636 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU MD2 1 71 VAL HB . . 4.450 3.258 2.689 3.562 . 0 0 "[ . 1 . 2]" 1
289 1 21 LEU MD2 1 71 VAL MG1 . . 3.570 2.212 1.944 2.470 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU MD2 1 71 VAL MG2 . . 3.930 2.683 2.136 3.034 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU MD2 1 85 PHE HB2 . . 4.380 3.386 2.851 3.743 . 0 0 "[ . 1 . 2]" 1
292 1 21 LEU MD2 1 85 PHE HB3 . . 4.590 4.163 3.693 4.544 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU MD2 1 85 PHE QD . . 4.200 3.266 2.672 3.529 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU MD2 1 87 PHE QD . . 5.200 4.917 4.383 5.137 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU MD2 1 87 PHE QE . . 5.100 4.916 4.442 5.089 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU HG 1 22 ASN H . . 4.330 3.048 2.316 3.606 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU HG 1 59 VAL HB . . 4.890 4.465 4.052 4.679 . 0 0 "[ . 1 . 2]" 1
298 1 22 ASN H 1 22 ASN HB2 . . 3.720 2.620 2.204 3.534 . 0 0 "[ . 1 . 2]" 1
299 1 22 ASN H 1 22 ASN QB . . 3.040 2.509 2.182 2.884 . 0 0 "[ . 1 . 2]" 1
300 1 22 ASN H 1 22 ASN HB3 . . 3.720 3.553 2.970 3.696 . 0 0 "[ . 1 . 2]" 1
301 1 22 ASN H 1 22 ASN HD21 . . 4.800 2.942 1.811 4.207 . 0 0 "[ . 1 . 2]" 1
302 1 22 ASN H 1 22 ASN QD . . 4.130 2.787 1.803 3.773 . 0 0 "[ . 1 . 2]" 1
303 1 22 ASN H 1 22 ASN HD22 . . 4.800 3.825 2.663 4.382 . 0 0 "[ . 1 . 2]" 1
304 1 22 ASN H 1 23 LEU H . . 4.750 4.293 4.141 4.486 . 0 0 "[ . 1 . 2]" 1
305 1 22 ASN HA 1 22 ASN QD . . 4.350 2.984 2.110 3.750 . 0 0 "[ . 1 . 2]" 1
306 1 22 ASN HA 1 22 ASN HD22 . . 5.110 4.069 3.628 4.922 . 0 0 "[ . 1 . 2]" 1
307 1 22 ASN HA 1 23 LEU H . . 3.520 2.166 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
308 1 22 ASN HA 1 58 CYS HA . . 4.350 3.945 3.119 4.340 . 0 0 "[ . 1 . 2]" 1
309 1 22 ASN QB 1 22 ASN QD . . 3.060 2.314 2.076 2.501 . 0 0 "[ . 1 . 2]" 1
310 1 22 ASN QB 1 23 LEU H . . 4.200 3.534 3.241 3.662 . 0 0 "[ . 1 . 2]" 1
311 1 22 ASN HB2 1 23 LEU H . . 4.780 4.310 3.536 4.574 . 0 0 "[ . 1 . 2]" 1
312 1 22 ASN HB3 1 23 LEU H . . 4.780 3.790 3.398 4.261 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU H 1 23 LEU MD1 . . 4.590 4.130 3.876 4.318 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU H 1 23 LEU HG . . 4.580 3.541 2.979 3.724 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU H 1 24 LYS H . . 5.100 4.317 4.127 4.451 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU H 1 57 HIS H . . 3.650 3.379 2.606 3.630 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU H 1 58 CYS HA . . 4.530 3.931 3.478 4.239 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU HA 1 23 LEU MD1 . . 4.480 3.839 3.803 3.920 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU HA 1 23 LEU MD2 . . 3.610 2.204 1.981 2.462 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU HA 1 24 LYS H . . 2.990 2.191 2.139 2.349 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU QB 1 23 LEU MD2 . . 3.200 2.193 2.044 2.303 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU QB 1 24 LYS H . . 3.810 3.089 2.531 3.455 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU QB 1 57 HIS H . . 3.880 3.391 2.834 3.825 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU QB 1 57 HIS QB . . 3.790 2.419 2.025 3.078 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU QB 1 58 CYS HA . . 5.340 4.461 3.866 5.119 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU HB2 1 23 LEU MD1 . . 3.260 2.239 2.034 2.383 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU HB2 1 57 HIS H . . 4.430 3.617 2.889 4.194 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU HB3 1 23 LEU MD1 . . 3.260 2.464 2.286 2.661 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU HB3 1 57 HIS H . . 4.430 4.164 3.717 4.414 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU MD1 1 57 HIS QB . . 4.520 3.153 2.528 3.675 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU MD1 1 58 CYS HA . . 5.170 4.893 4.356 5.137 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU MD1 1 59 VAL H . . 5.060 4.291 3.707 4.704 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU MD1 1 73 VAL HB . . 4.500 4.202 3.811 4.476 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU MD1 1 73 VAL MG2 . . 3.420 2.761 2.353 3.095 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU MD1 1 85 PHE QE . . 4.180 3.406 2.477 4.083 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU MD2 1 85 PHE QD . . 5.190 4.222 3.868 4.653 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU MD2 1 85 PHE QE . . 4.420 3.017 2.557 3.527 . 0 0 "[ . 1 . 2]" 1
338 1 24 LYS H 1 24 LYS HB2 . . 3.960 3.762 3.208 3.959 . 0 0 "[ . 1 . 2]" 1
339 1 24 LYS H 1 24 LYS QB . . 3.300 2.998 2.219 3.281 . 0 0 "[ . 1 . 2]" 1
340 1 24 LYS H 1 24 LYS HB3 . . 3.960 3.161 2.262 3.513 . 0 0 "[ . 1 . 2]" 1
341 1 24 LYS H 1 24 LYS HG2 . . 4.370 2.525 1.898 4.051 . 0 0 "[ . 1 . 2]" 1
342 1 24 LYS H 1 24 LYS QG . . 3.810 2.430 1.881 3.736 . 0 0 "[ . 1 . 2]" 1
343 1 24 LYS H 1 24 LYS HG3 . . 4.370 3.411 2.572 4.381 0.011 17 0 "[ . 1 . 2]" 1
344 1 24 LYS H 1 25 ILE H . . 5.020 3.886 3.535 4.237 . 0 0 "[ . 1 . 2]" 1
345 1 24 LYS H 1 57 HIS HD2 . . 4.950 4.352 3.512 4.894 . 0 0 "[ . 1 . 2]" 1
346 1 24 LYS HA 1 24 LYS QD . . 4.710 4.284 3.726 4.482 . 0 0 "[ . 1 . 2]" 1
347 1 24 LYS QB 1 24 LYS QE . . 4.580 2.676 1.980 3.649 . 0 0 "[ . 1 . 2]" 1
348 1 24 LYS QD 1 26 PRO HD3 . . 5.500 5.132 3.874 5.503 0.003 20 0 "[ . 1 . 2]" 1
349 1 24 LYS QG 1 25 ILE HA . . 4.650 4.086 3.439 4.360 . 0 0 "[ . 1 . 2]" 1
350 1 24 LYS QG 1 26 PRO HD2 . . 5.070 4.736 3.669 5.045 . 0 0 "[ . 1 . 2]" 1
351 1 24 LYS QG 1 26 PRO HD3 . . 4.510 4.031 2.532 4.492 . 0 0 "[ . 1 . 2]" 1
352 1 25 ILE H 1 25 ILE QG . . 4.500 2.640 2.280 3.582 . 0 0 "[ . 1 . 2]" 1
353 1 25 ILE H 1 55 ASN QB . . 5.340 3.519 2.997 4.332 . 0 0 "[ . 1 . 2]" 1
354 1 25 ILE H 1 57 HIS H . . 5.500 4.489 4.117 4.847 . 0 0 "[ . 1 . 2]" 1
355 1 25 ILE H 1 57 HIS HD2 . . 4.360 2.899 1.971 3.710 . 0 0 "[ . 1 . 2]" 1
356 1 25 ILE HA 1 25 ILE MD . . 4.070 3.889 3.362 3.971 . 0 0 "[ . 1 . 2]" 1
357 1 25 ILE HA 1 25 ILE HG12 . . 4.160 2.806 2.664 3.562 . 0 0 "[ . 1 . 2]" 1
358 1 25 ILE HA 1 25 ILE QG . . 3.650 2.586 2.351 2.698 . 0 0 "[ . 1 . 2]" 1
359 1 25 ILE HA 1 25 ILE HG13 . . 4.160 3.148 2.385 3.466 . 0 0 "[ . 1 . 2]" 1
360 1 25 ILE HA 1 25 ILE MG . . 3.180 2.200 2.057 2.425 . 0 0 "[ . 1 . 2]" 1
361 1 25 ILE HA 1 26 PRO HD2 . . 3.150 1.923 1.913 1.989 . 0 0 "[ . 1 . 2]" 1
362 1 25 ILE HA 1 26 PRO HD3 . . 3.200 2.529 2.313 2.603 . 0 0 "[ . 1 . 2]" 1
363 1 25 ILE HA 1 26 PRO QG . . 4.190 3.782 3.765 3.793 . 0 0 "[ . 1 . 2]" 1
364 1 25 ILE HA 1 27 GLU H . . 4.480 3.568 3.242 4.137 . 0 0 "[ . 1 . 2]" 1
365 1 25 ILE HB 1 25 ILE MD . . 3.060 2.347 2.107 2.473 . 0 0 "[ . 1 . 2]" 1
366 1 25 ILE HB 1 26 PRO HD2 . . 4.700 4.521 4.178 4.645 . 0 0 "[ . 1 . 2]" 1
367 1 25 ILE HB 1 26 PRO HD3 . . 5.380 5.059 4.972 5.103 . 0 0 "[ . 1 . 2]" 1
368 1 25 ILE HB 1 28 ILE H . . 5.060 3.309 2.877 3.810 . 0 0 "[ . 1 . 2]" 1
369 1 25 ILE HB 1 28 ILE MD . . 4.500 3.588 3.156 4.319 . 0 0 "[ . 1 . 2]" 1
370 1 25 ILE HB 1 57 HIS HD2 . . 4.040 3.722 3.273 4.028 . 0 0 "[ . 1 . 2]" 1
371 1 25 ILE MD 1 28 ILE MD . . 3.880 2.714 1.998 3.795 . 0 0 "[ . 1 . 2]" 1
372 1 25 ILE MD 1 57 HIS HD2 . . 4.280 3.418 1.955 4.217 . 0 0 "[ . 1 . 2]" 1
373 1 25 ILE MD 1 80 VAL HB . . 3.760 3.283 2.864 3.571 . 0 0 "[ . 1 . 2]" 1
374 1 25 ILE MD 1 80 VAL MG1 . . 3.590 2.949 2.196 3.461 . 0 0 "[ . 1 . 2]" 1
375 1 25 ILE MD 1 80 VAL MG2 . . 3.460 3.148 2.957 3.461 0.001 11 0 "[ . 1 . 2]" 1
376 1 25 ILE MD 1 81 THR H . . 4.850 4.619 3.782 4.843 . 0 0 "[ . 1 . 2]" 1
377 1 25 ILE QG 1 26 PRO HD2 . . 4.980 4.171 3.862 4.345 . 0 0 "[ . 1 . 2]" 1
378 1 25 ILE QG 1 57 HIS HD2 . . 4.510 3.134 2.470 3.956 . 0 0 "[ . 1 . 2]" 1
379 1 25 ILE HG12 1 25 ILE MG . . 3.370 2.281 2.053 2.526 . 0 0 "[ . 1 . 2]" 1
380 1 25 ILE HG13 1 25 ILE MG . . 3.370 3.150 2.591 3.203 . 0 0 "[ . 1 . 2]" 1
381 1 25 ILE MG 1 26 PRO HD2 . . 3.580 2.771 2.282 2.939 . 0 0 "[ . 1 . 2]" 1
382 1 25 ILE MG 1 26 PRO HD3 . . 4.070 4.001 3.576 4.103 0.033 16 0 "[ . 1 . 2]" 1
383 1 25 ILE MG 1 27 GLU H . . 5.100 2.528 1.920 3.323 . 0 0 "[ . 1 . 2]" 1
384 1 25 ILE MG 1 27 GLU QB . . 4.480 2.554 2.162 2.847 . 0 0 "[ . 1 . 2]" 1
385 1 25 ILE MG 1 28 ILE H . . 3.960 2.407 1.823 3.090 . 0 0 "[ . 1 . 2]" 1
386 1 25 ILE MG 1 28 ILE HB . . 3.260 2.517 2.015 3.200 . 0 0 "[ . 1 . 2]" 1
387 1 25 ILE MG 1 28 ILE MD . . 3.280 2.291 1.865 3.283 0.003 20 0 "[ . 1 . 2]" 1
388 1 25 ILE MG 1 28 ILE QG . . 3.600 2.375 1.865 2.950 . 0 0 "[ . 1 . 2]" 1
389 1 26 PRO HA 1 27 GLU HA . . 5.050 4.770 4.609 4.924 . 0 0 "[ . 1 . 2]" 1
390 1 26 PRO HA 1 28 ILE H . . 4.570 3.990 3.432 4.570 . 0 0 "[ . 1 . 2]" 1
391 1 26 PRO HA 1 55 ASN HA . . 4.580 3.581 3.034 4.515 . 0 0 "[ . 1 . 2]" 1
392 1 26 PRO HA 1 55 ASN HB2 . . 4.320 2.378 2.026 2.960 . 0 0 "[ . 1 . 2]" 1
393 1 26 PRO HA 1 55 ASN QB . . 3.540 1.934 1.798 2.041 . 0 0 "[ . 1 . 2]" 1
394 1 26 PRO HA 1 55 ASN HB3 . . 4.320 2.087 1.996 2.310 . 0 0 "[ . 1 . 2]" 1
395 1 26 PRO HA 1 55 ASN HD21 . . 5.200 3.634 2.846 4.264 . 0 0 "[ . 1 . 2]" 1
396 1 26 PRO HA 1 55 ASN QD . . 4.420 3.515 2.669 4.079 . 0 0 "[ . 1 . 2]" 1
397 1 26 PRO HA 1 55 ASN HD22 . . 5.200 4.752 3.226 5.201 0.001 20 0 "[ . 1 . 2]" 1
398 1 26 PRO QB 1 27 GLU H . . 3.660 3.248 2.803 3.625 . 0 0 "[ . 1 . 2]" 1
399 1 26 PRO QB 1 55 ASN QB . . 3.970 2.393 2.000 3.202 . 0 0 "[ . 1 . 2]" 1
400 1 26 PRO QB 1 55 ASN QD . . 4.240 2.677 1.917 3.872 . 0 0 "[ . 1 . 2]" 1
401 1 26 PRO HB2 1 27 GLU H . . 4.440 3.394 2.876 3.844 . 0 0 "[ . 1 . 2]" 1
402 1 26 PRO HB3 1 27 GLU H . . 4.440 4.176 3.877 4.437 . 0 0 "[ . 1 . 2]" 1
403 1 26 PRO HD2 1 27 GLU H . . 4.990 2.742 2.648 2.885 . 0 0 "[ . 1 . 2]" 1
404 1 26 PRO HD3 1 27 GLU H . . 5.120 3.885 3.836 3.969 . 0 0 "[ . 1 . 2]" 1
405 1 26 PRO HG2 1 27 GLU H . . 4.750 2.500 1.901 3.124 . 0 0 "[ . 1 . 2]" 1
406 1 26 PRO HG3 1 27 GLU H . . 4.750 3.979 3.530 4.448 . 0 0 "[ . 1 . 2]" 1
407 1 27 GLU H 1 27 GLU HA . . 2.900 2.827 2.699 2.930 0.030 19 0 "[ . 1 . 2]" 1
408 1 27 GLU H 1 27 GLU QB . . 3.440 2.243 2.111 2.480 . 0 0 "[ . 1 . 2]" 1
409 1 27 GLU H 1 27 GLU HG2 . . 4.620 3.806 2.623 4.625 0.005 18 0 "[ . 1 . 2]" 1
410 1 27 GLU H 1 27 GLU QG . . 3.860 3.185 2.126 3.989 0.129 18 0 "[ . 1 . 2]" 1
411 1 27 GLU H 1 27 GLU HG3 . . 4.620 3.653 2.142 4.493 . 0 0 "[ . 1 . 2]" 1
412 1 27 GLU H 1 28 ILE H . . 3.580 2.570 2.238 2.905 . 0 0 "[ . 1 . 2]" 1
413 1 27 GLU H 1 28 ILE HA . . 5.500 5.205 4.855 5.468 . 0 0 "[ . 1 . 2]" 1
414 1 27 GLU H 1 55 ASN HB2 . . 5.500 5.107 4.662 5.487 . 0 0 "[ . 1 . 2]" 1
415 1 27 GLU H 1 55 ASN QB . . 4.720 4.607 4.270 4.724 0.004 11 0 "[ . 1 . 2]" 1
416 1 27 GLU H 1 55 ASN HB3 . . 5.500 5.295 4.453 5.505 0.005 20 0 "[ . 1 . 2]" 1
417 1 27 GLU HA 1 27 GLU HG2 . . 3.690 2.938 2.176 3.659 . 0 0 "[ . 1 . 2]" 1
418 1 27 GLU HA 1 27 GLU QG . . 2.970 2.443 2.139 2.885 . 0 0 "[ . 1 . 2]" 1
419 1 27 GLU HA 1 27 GLU HG3 . . 3.690 2.894 2.381 3.665 . 0 0 "[ . 1 . 2]" 1
420 1 27 GLU QB 1 28 ILE H . . 3.530 2.925 2.400 3.340 . 0 0 "[ . 1 . 2]" 1
421 1 27 GLU QB 1 28 ILE MD . . 4.600 3.733 3.267 4.272 . 0 0 "[ . 1 . 2]" 1
422 1 27 GLU QB 1 28 ILE QG . . 4.490 2.841 2.430 3.418 . 0 0 "[ . 1 . 2]" 1
423 1 28 ILE H 1 28 ILE HB . . 3.230 2.631 2.451 2.789 . 0 0 "[ . 1 . 2]" 1
424 1 28 ILE H 1 28 ILE MD . . 4.080 3.758 3.325 4.057 . 0 0 "[ . 1 . 2]" 1
425 1 28 ILE H 1 28 ILE QG . . 3.180 2.649 2.020 3.094 . 0 0 "[ . 1 . 2]" 1
426 1 28 ILE H 1 28 ILE MG . . 3.890 3.832 3.739 3.893 0.003 6 0 "[ . 1 . 2]" 1
427 1 28 ILE HA 1 28 ILE MD . . 3.960 3.637 2.232 3.934 . 0 0 "[ . 1 . 2]" 1
428 1 28 ILE HA 1 28 ILE HG12 . . 4.090 2.717 2.532 3.019 . 0 0 "[ . 1 . 2]" 1
429 1 28 ILE HA 1 28 ILE HG13 . . 4.090 3.000 2.655 3.797 . 0 0 "[ . 1 . 2]" 1
430 1 28 ILE HA 1 28 ILE MG . . 3.360 2.357 2.225 2.524 . 0 0 "[ . 1 . 2]" 1
431 1 28 ILE HA 1 29 ASN QB . . 4.970 4.215 3.957 4.542 . 0 0 "[ . 1 . 2]" 1
432 1 28 ILE HB 1 28 ILE MD . . 3.490 2.429 2.168 3.217 . 0 0 "[ . 1 . 2]" 1
433 1 28 ILE HB 1 75 TYR QE . . 5.110 5.015 4.849 5.105 . 0 0 "[ . 1 . 2]" 1
434 1 28 ILE MD 1 33 MET HG2 . . 4.870 3.734 3.289 4.269 . 0 0 "[ . 1 . 2]" 1
435 1 28 ILE MD 1 33 MET HG3 . . 4.540 4.119 3.669 4.517 . 0 0 "[ . 1 . 2]" 1
436 1 28 ILE MD 1 75 TYR HB2 . . 4.180 2.599 2.214 3.159 . 0 0 "[ . 1 . 2]" 1
437 1 28 ILE MD 1 75 TYR HB3 . . 4.280 2.939 2.554 3.331 . 0 0 "[ . 1 . 2]" 1
438 1 28 ILE MD 1 75 TYR QD . . 3.910 2.756 2.192 3.347 . 0 0 "[ . 1 . 2]" 1
439 1 28 ILE MD 1 75 TYR QE . . 4.250 3.606 3.058 4.170 . 0 0 "[ . 1 . 2]" 1
440 1 28 ILE MD 1 80 VAL HB . . 4.850 3.840 3.089 4.249 . 0 0 "[ . 1 . 2]" 1
441 1 28 ILE MD 1 80 VAL MG1 . . 3.480 2.348 1.788 2.893 . 0 0 "[ . 1 . 2]" 1
442 1 28 ILE MG 1 32 ASP H . . 4.920 4.046 3.795 4.534 . 0 0 "[ . 1 . 2]" 1
443 1 28 ILE MG 1 32 ASP HB2 . . 4.540 3.443 2.716 4.205 . 0 0 "[ . 1 . 2]" 1
444 1 28 ILE MG 1 32 ASP QB . . 3.690 3.083 2.281 3.687 . 0 0 "[ . 1 . 2]" 1
445 1 28 ILE MG 1 32 ASP HB3 . . 4.540 3.701 2.313 4.523 . 0 0 "[ . 1 . 2]" 1
446 1 28 ILE MG 1 33 MET H . . 4.820 4.089 3.116 4.671 . 0 0 "[ . 1 . 2]" 1
447 1 28 ILE MG 1 33 MET HG2 . . 3.770 2.445 2.057 3.074 . 0 0 "[ . 1 . 2]" 1
448 1 28 ILE MG 1 33 MET HG3 . . 3.570 1.987 1.825 2.397 . 0 0 "[ . 1 . 2]" 1
449 1 28 ILE MG 1 75 TYR HB2 . . 4.470 3.034 2.448 3.600 . 0 0 "[ . 1 . 2]" 1
450 1 28 ILE MG 1 75 TYR HB3 . . 5.090 4.209 3.520 4.754 . 0 0 "[ . 1 . 2]" 1
451 1 28 ILE MG 1 75 TYR QD . . 3.660 2.247 1.960 2.572 . 0 0 "[ . 1 . 2]" 1
452 1 28 ILE MG 1 75 TYR QE . . 3.580 2.409 2.142 3.046 . 0 0 "[ . 1 . 2]" 1
453 1 29 ASN H 1 30 SER H . . 4.840 4.497 4.412 4.601 . 0 0 "[ . 1 . 2]" 1
454 1 29 ASN H 1 32 ASP H . . 4.130 3.972 3.794 4.125 . 0 0 "[ . 1 . 2]" 1
455 1 29 ASN QB 1 29 ASN QD . . 3.050 2.179 2.065 2.519 . 0 0 "[ . 1 . 2]" 1
456 1 29 ASN QB 1 30 SER H . . 4.370 2.824 1.952 3.671 . 0 0 "[ . 1 . 2]" 1
457 1 29 ASN QB 1 31 SER QB . . 4.580 3.099 2.727 3.866 . 0 0 "[ . 1 . 2]" 1
458 1 29 ASN QB 1 32 ASP H . . 3.290 2.667 1.955 3.270 . 0 0 "[ . 1 . 2]" 1
459 1 29 ASN HB2 1 30 SER H . . 5.210 3.978 3.288 4.406 . 0 0 "[ . 1 . 2]" 1
460 1 29 ASN HB2 1 32 ASP H . . 3.760 3.230 2.334 3.760 . 0 0 "[ . 1 . 2]" 1
461 1 29 ASN HB3 1 30 SER H . . 5.210 2.911 1.963 3.929 . 0 0 "[ . 1 . 2]" 1
462 1 29 ASN HB3 1 32 ASP H . . 3.760 3.117 1.962 3.754 . 0 0 "[ . 1 . 2]" 1
463 1 30 SER H 1 57 HIS HE1 . . 4.630 2.940 2.353 4.368 . 0 0 "[ . 1 . 2]" 1
464 1 30 SER HA 1 32 ASP H . . 4.940 4.128 3.589 4.650 . 0 0 "[ . 1 . 2]" 1
465 1 30 SER HA 1 33 MET H . . 4.180 3.585 3.165 4.169 . 0 0 "[ . 1 . 2]" 1
466 1 30 SER HA 1 33 MET HB2 . . 4.780 2.450 2.011 3.080 . 0 0 "[ . 1 . 2]" 1
467 1 30 SER HA 1 33 MET HB3 . . 5.200 3.939 3.451 4.580 . 0 0 "[ . 1 . 2]" 1
468 1 30 SER HA 1 33 MET ME . . 3.790 3.077 1.886 3.779 . 0 0 "[ . 1 . 2]" 1
469 1 30 SER HA 1 33 MET HG3 . . 4.790 3.286 2.717 3.885 . 0 0 "[ . 1 . 2]" 1
470 1 30 SER HA 1 49 ILE HB . . 5.500 4.787 3.908 5.300 . 0 0 "[ . 1 . 2]" 1
471 1 30 SER HA 1 49 ILE MD . . 4.570 3.352 2.529 3.958 . 0 0 "[ . 1 . 2]" 1
472 1 30 SER HA 1 49 ILE MG . . 3.950 3.154 2.520 3.497 . 0 0 "[ . 1 . 2]" 1
473 1 30 SER HA 1 57 HIS HE1 . . 4.900 3.478 2.013 4.575 . 0 0 "[ . 1 . 2]" 1
474 1 30 SER QB 1 49 ILE HB . . 4.780 3.706 2.289 4.742 . 0 0 "[ . 1 . 2]" 1
475 1 30 SER QB 1 49 ILE MG . . 3.390 2.502 1.819 3.385 . 0 0 "[ . 1 . 2]" 1
476 1 30 SER HB2 1 49 ILE MG . . 4.030 2.851 1.923 3.937 . 0 0 "[ . 1 . 2]" 1
477 1 30 SER HB3 1 49 ILE MG . . 4.030 3.147 2.151 4.010 . 0 0 "[ . 1 . 2]" 1
478 1 31 SER HA 1 33 MET H . . 4.150 3.804 3.544 4.076 . 0 0 "[ . 1 . 2]" 1
479 1 31 SER QB 1 32 ASP H . . 3.810 2.941 2.524 3.511 . 0 0 "[ . 1 . 2]" 1
480 1 31 SER HB2 1 32 ASP H . . 4.580 3.505 2.580 4.189 . 0 0 "[ . 1 . 2]" 1
481 1 31 SER HB3 1 32 ASP H . . 4.580 3.458 2.667 4.229 . 0 0 "[ . 1 . 2]" 1
482 1 32 ASP H 1 32 ASP HB2 . . 3.690 2.569 2.215 3.592 . 0 0 "[ . 1 . 2]" 1
483 1 32 ASP H 1 32 ASP QB . . 3.000 2.418 2.192 2.979 . 0 0 "[ . 1 . 2]" 1
484 1 32 ASP H 1 32 ASP HB3 . . 3.690 3.388 2.671 3.688 . 0 0 "[ . 1 . 2]" 1
485 1 32 ASP H 1 33 MET H . . 2.950 2.494 2.155 2.889 . 0 0 "[ . 1 . 2]" 1
486 1 32 ASP H 1 33 MET HA . . 5.340 4.848 4.497 5.233 . 0 0 "[ . 1 . 2]" 1
487 1 32 ASP H 1 33 MET HB2 . . 4.650 4.200 3.801 4.616 . 0 0 "[ . 1 . 2]" 1
488 1 32 ASP H 1 33 MET HG3 . . 4.850 4.126 3.562 4.848 . 0 0 "[ . 1 . 2]" 1
489 1 32 ASP HA 1 33 MET HA . . 5.500 4.598 4.465 4.837 . 0 0 "[ . 1 . 2]" 1
490 1 32 ASP QB 1 33 MET H . . 3.750 3.556 2.813 3.747 . 0 0 "[ . 1 . 2]" 1
491 1 32 ASP QB 1 75 TYR QD . . 3.750 3.016 2.258 3.466 . 0 0 "[ . 1 . 2]" 1
492 1 32 ASP QB 1 75 TYR QE . . 3.320 2.421 1.858 3.026 . 0 0 "[ . 1 . 2]" 1
493 1 32 ASP HB2 1 33 MET H . . 4.540 3.925 2.912 4.239 . 0 0 "[ . 1 . 2]" 1
494 1 32 ASP HB2 1 75 TYR QD . . 4.370 3.840 2.271 4.364 . 0 0 "[ . 1 . 2]" 1
495 1 32 ASP HB2 1 75 TYR QE . . 3.820 2.885 2.009 3.806 . 0 0 "[ . 1 . 2]" 1
496 1 32 ASP HB3 1 33 MET H . . 4.540 4.148 3.178 4.464 . 0 0 "[ . 1 . 2]" 1
497 1 32 ASP HB3 1 75 TYR QD . . 4.370 3.394 2.606 4.318 . 0 0 "[ . 1 . 2]" 1
498 1 32 ASP HB3 1 75 TYR QE . . 3.820 2.771 2.002 3.314 . 0 0 "[ . 1 . 2]" 1
499 1 33 MET H 1 33 MET HB2 . . 3.160 2.326 2.207 2.459 . 0 0 "[ . 1 . 2]" 1
500 1 33 MET H 1 33 MET HB3 . . 3.610 3.563 3.497 3.613 0.003 11 0 "[ . 1 . 2]" 1
501 1 33 MET H 1 33 MET ME . . 4.800 4.555 3.756 4.776 . 0 0 "[ . 1 . 2]" 1
502 1 33 MET H 1 33 MET HG2 . . 4.310 4.110 3.759 4.301 . 0 0 "[ . 1 . 2]" 1
503 1 33 MET H 1 33 MET HG3 . . 3.620 3.168 2.570 3.621 0.001 11 0 "[ . 1 . 2]" 1
504 1 33 MET H 1 34 SER H . . 4.700 4.552 4.468 4.619 . 0 0 "[ . 1 . 2]" 1
505 1 33 MET H 1 49 ILE MD . . 4.020 3.874 3.484 4.024 0.004 6 0 "[ . 1 . 2]" 1
506 1 33 MET H 1 49 ILE MG . . 5.500 5.384 5.192 5.501 0.001 6 0 "[ . 1 . 2]" 1
507 1 33 MET HA 1 33 MET HG2 . . 3.900 2.413 2.168 2.595 . 0 0 "[ . 1 . 2]" 1
508 1 33 MET HA 1 33 MET HG3 . . 4.220 2.855 2.625 3.160 . 0 0 "[ . 1 . 2]" 1
509 1 33 MET HA 1 34 SER H . . 2.900 2.372 2.238 2.525 . 0 0 "[ . 1 . 2]" 1
510 1 33 MET HA 1 49 ILE MD . . 4.680 4.226 3.938 4.410 . 0 0 "[ . 1 . 2]" 1
511 1 33 MET HA 1 75 TYR HA . . 5.500 3.736 3.183 4.413 . 0 0 "[ . 1 . 2]" 1
512 1 33 MET HA 1 75 TYR QD . . 4.440 3.507 2.878 4.189 . 0 0 "[ . 1 . 2]" 1
513 1 33 MET HB2 1 33 MET ME . . 4.010 2.645 2.013 3.118 . 0 0 "[ . 1 . 2]" 1
514 1 33 MET HB2 1 34 SER H . . 4.150 3.895 3.640 4.120 . 0 0 "[ . 1 . 2]" 1
515 1 33 MET HB2 1 49 ILE MD . . 3.230 2.456 2.160 2.775 . 0 0 "[ . 1 . 2]" 1
516 1 33 MET HB2 1 49 ILE MG . . 4.010 3.749 3.438 4.002 . 0 0 "[ . 1 . 2]" 1
517 1 33 MET HB3 1 33 MET ME . . 4.180 2.284 1.988 3.612 . 0 0 "[ . 1 . 2]" 1
518 1 33 MET HB3 1 34 SER H . . 3.440 2.562 2.194 2.925 . 0 0 "[ . 1 . 2]" 1
519 1 33 MET HB3 1 49 ILE MD . . 3.310 2.308 2.089 2.560 . 0 0 "[ . 1 . 2]" 1
520 1 33 MET HB3 1 73 VAL MG1 . . 3.960 3.568 2.995 3.933 . 0 0 "[ . 1 . 2]" 1
521 1 33 MET ME 1 49 ILE MD . . 3.530 2.279 1.932 3.528 . 0 0 "[ . 1 . 2]" 1
522 1 33 MET ME 1 57 HIS HB2 . . 4.880 2.697 2.148 3.436 . 0 0 "[ . 1 . 2]" 1
523 1 33 MET ME 1 57 HIS QB . . 4.270 2.341 1.918 3.146 . 0 0 "[ . 1 . 2]" 1
524 1 33 MET ME 1 57 HIS HB3 . . 4.880 2.609 2.000 3.648 . 0 0 "[ . 1 . 2]" 1
525 1 33 MET ME 1 57 HIS HE1 . . 4.480 4.029 3.021 4.473 . 0 0 "[ . 1 . 2]" 1
526 1 33 MET HG2 1 34 SER H . . 4.170 3.577 3.401 3.799 . 0 0 "[ . 1 . 2]" 1
527 1 33 MET HG2 1 49 ILE MD . . 4.380 4.290 4.008 4.375 . 0 0 "[ . 1 . 2]" 1
528 1 33 MET HG2 1 75 TYR QD . . 4.360 3.847 3.069 4.358 . 0 0 "[ . 1 . 2]" 1
529 1 33 MET HG3 1 34 SER H . . 4.860 4.614 4.417 4.832 . 0 0 "[ . 1 . 2]" 1
530 1 33 MET HG3 1 49 ILE MD . . 4.680 4.334 3.995 4.657 . 0 0 "[ . 1 . 2]" 1
531 1 33 MET HG3 1 75 TYR QD . . 4.240 3.858 3.151 4.230 . 0 0 "[ . 1 . 2]" 1
532 1 34 SER H 1 34 SER HB2 . . 4.080 3.258 2.794 3.972 . 0 0 "[ . 1 . 2]" 1
533 1 34 SER H 1 34 SER QB . . 3.420 2.969 2.733 3.264 . 0 0 "[ . 1 . 2]" 1
534 1 34 SER H 1 34 SER HB3 . . 4.080 3.745 3.181 3.988 . 0 0 "[ . 1 . 2]" 1
535 1 34 SER H 1 35 ALA H . . 4.370 4.016 3.849 4.255 . 0 0 "[ . 1 . 2]" 1
536 1 34 SER H 1 35 ALA HA . . 5.250 4.591 4.477 4.773 . 0 0 "[ . 1 . 2]" 1
537 1 34 SER H 1 49 ILE MD . . 4.140 3.599 3.291 3.816 . 0 0 "[ . 1 . 2]" 1
538 1 34 SER H 1 73 VAL MG1 . . 4.140 3.129 2.734 3.590 . 0 0 "[ . 1 . 2]" 1
539 1 34 SER H 1 75 TYR HA . . 5.160 4.723 4.332 5.134 . 0 0 "[ . 1 . 2]" 1
540 1 34 SER HA 1 35 ALA H . . 3.010 2.149 2.138 2.201 . 0 0 "[ . 1 . 2]" 1
541 1 34 SER HA 1 35 ALA MB . . 4.850 3.981 3.877 4.051 . 0 0 "[ . 1 . 2]" 1
542 1 34 SER HA 1 49 ILE MD . . 4.040 2.998 2.773 3.165 . 0 0 "[ . 1 . 2]" 1
543 1 34 SER HA 1 49 ILE QG . . 5.340 4.565 4.093 4.880 . 0 0 "[ . 1 . 2]" 1
544 1 34 SER QB 1 35 ALA H . . 3.580 3.363 2.940 3.555 . 0 0 "[ . 1 . 2]" 1
545 1 34 SER HB2 1 35 ALA H . . 4.380 4.038 3.023 4.364 . 0 0 "[ . 1 . 2]" 1
546 1 34 SER HB2 1 36 HIS HE1 . . 4.340 3.094 2.307 4.300 . 0 0 "[ . 1 . 2]" 1
547 1 34 SER HB3 1 35 ALA H . . 4.380 3.775 3.352 4.381 0.001 11 0 "[ . 1 . 2]" 1
548 1 34 SER HB3 1 36 HIS HE1 . . 4.340 2.959 2.133 4.108 . 0 0 "[ . 1 . 2]" 1
549 1 35 ALA H 1 35 ALA MB . . 3.260 2.385 2.229 2.610 . 0 0 "[ . 1 . 2]" 1
550 1 35 ALA H 1 47 ALA H . . 4.990 4.084 3.824 4.399 . 0 0 "[ . 1 . 2]" 1
551 1 35 ALA H 1 49 ILE MD . . 3.860 3.078 2.618 3.579 . 0 0 "[ . 1 . 2]" 1
552 1 35 ALA H 1 49 ILE QG . . 4.540 3.916 3.584 4.423 . 0 0 "[ . 1 . 2]" 1
553 1 35 ALA H 1 73 VAL MG1 . . 5.500 4.931 4.535 5.265 . 0 0 "[ . 1 . 2]" 1
554 1 35 ALA HA 1 36 HIS H . . 2.650 2.230 2.160 2.310 . 0 0 "[ . 1 . 2]" 1
555 1 35 ALA HA 1 36 HIS HA . . 4.870 4.441 4.401 4.487 . 0 0 "[ . 1 . 2]" 1
556 1 35 ALA HA 1 49 ILE MD . . 5.000 4.835 4.560 4.972 . 0 0 "[ . 1 . 2]" 1
557 1 35 ALA HA 1 71 VAL MG1 . . 4.270 3.683 3.330 3.951 . 0 0 "[ . 1 . 2]" 1
558 1 35 ALA HA 1 73 VAL HA . . 4.010 2.813 2.512 3.056 . 0 0 "[ . 1 . 2]" 1
559 1 35 ALA HA 1 73 VAL MG1 . . 4.270 3.855 3.516 4.164 . 0 0 "[ . 1 . 2]" 1
560 1 35 ALA HA 1 73 VAL MG2 . . 4.000 2.870 2.206 3.260 . 0 0 "[ . 1 . 2]" 1
561 1 35 ALA HA 1 74 LYS H . . 4.530 4.281 3.896 4.515 . 0 0 "[ . 1 . 2]" 1
562 1 35 ALA MB 1 36 HIS H . . 3.280 2.837 2.617 3.102 . 0 0 "[ . 1 . 2]" 1
563 1 35 ALA MB 1 36 HIS HA . . 4.920 3.942 3.809 4.070 . 0 0 "[ . 1 . 2]" 1
564 1 35 ALA MB 1 47 ALA H . . 4.300 3.435 3.216 3.758 . 0 0 "[ . 1 . 2]" 1
565 1 35 ALA MB 1 49 ILE H . . 5.500 5.373 5.042 5.497 . 0 0 "[ . 1 . 2]" 1
566 1 35 ALA MB 1 49 ILE MD . . 3.410 3.108 2.833 3.290 . 0 0 "[ . 1 . 2]" 1
567 1 35 ALA MB 1 49 ILE HG12 . . 3.930 3.392 3.137 3.895 . 0 0 "[ . 1 . 2]" 1
568 1 35 ALA MB 1 49 ILE QG . . 3.400 3.023 2.834 3.305 . 0 0 "[ . 1 . 2]" 1
569 1 35 ALA MB 1 49 ILE HG13 . . 3.930 3.413 3.156 3.727 . 0 0 "[ . 1 . 2]" 1
570 1 35 ALA MB 1 59 VAL HA . . 5.450 4.559 4.071 4.859 . 0 0 "[ . 1 . 2]" 1
571 1 35 ALA MB 1 59 VAL MG1 . . 3.030 2.582 2.244 2.937 . 0 0 "[ . 1 . 2]" 1
572 1 35 ALA MB 1 59 VAL MG2 . . 3.120 2.516 2.154 2.827 . 0 0 "[ . 1 . 2]" 1
573 1 35 ALA MB 1 71 VAL MG1 . . 3.460 2.699 2.211 3.103 . 0 0 "[ . 1 . 2]" 1
574 1 35 ALA MB 1 72 SER H . . 4.870 4.660 4.175 4.864 . 0 0 "[ . 1 . 2]" 1
575 1 35 ALA MB 1 73 VAL MG1 . . 4.250 3.447 2.995 3.782 . 0 0 "[ . 1 . 2]" 1
576 1 35 ALA MB 1 73 VAL MG2 . . 3.100 2.421 1.911 2.739 . 0 0 "[ . 1 . 2]" 1
577 1 36 HIS H 1 36 HIS HB2 . . 3.430 2.833 2.705 2.947 . 0 0 "[ . 1 . 2]" 1
578 1 36 HIS H 1 36 HIS HB3 . . 4.060 3.885 3.805 3.949 . 0 0 "[ . 1 . 2]" 1
579 1 36 HIS H 1 37 VAL H . . 4.370 4.194 4.042 4.334 . 0 0 "[ . 1 . 2]" 1
580 1 36 HIS H 1 37 VAL HA . . 4.820 4.649 4.518 4.818 . 0 0 "[ . 1 . 2]" 1
581 1 36 HIS H 1 37 VAL MG2 . . 4.850 4.468 4.287 4.797 . 0 0 "[ . 1 . 2]" 1
582 1 36 HIS H 1 44 VAL MG2 . . 4.920 4.801 4.613 4.919 . 0 0 "[ . 1 . 2]" 1
583 1 36 HIS H 1 47 ALA H . . 5.090 4.576 4.041 4.913 . 0 0 "[ . 1 . 2]" 1
584 1 36 HIS H 1 71 VAL HA . . 4.480 3.938 3.555 4.446 . 0 0 "[ . 1 . 2]" 1
585 1 36 HIS H 1 71 VAL MG1 . . 3.920 3.244 2.873 3.764 . 0 0 "[ . 1 . 2]" 1
586 1 36 HIS H 1 72 SER H . . 3.450 2.893 2.527 3.096 . 0 0 "[ . 1 . 2]" 1
587 1 36 HIS H 1 72 SER QB . . 3.830 3.506 3.079 3.828 . 0 0 "[ . 1 . 2]" 1
588 1 36 HIS H 1 73 VAL HA . . 4.420 4.264 4.005 4.410 . 0 0 "[ . 1 . 2]" 1
589 1 36 HIS H 1 73 VAL MG2 . . 4.220 3.748 3.433 4.098 . 0 0 "[ . 1 . 2]" 1
590 1 36 HIS HA 1 36 HIS HD2 . . 4.640 3.145 2.935 3.414 . 0 0 "[ . 1 . 2]" 1
591 1 36 HIS HA 1 37 VAL H . . 2.830 2.154 2.140 2.242 . 0 0 "[ . 1 . 2]" 1
592 1 36 HIS HA 1 37 VAL HB . . 4.610 4.574 4.538 4.607 . 0 0 "[ . 1 . 2]" 1
593 1 36 HIS HA 1 37 VAL MG2 . . 4.280 3.737 3.537 3.847 . 0 0 "[ . 1 . 2]" 1
594 1 36 HIS HA 1 46 GLU HA . . 3.440 2.580 2.293 2.811 . 0 0 "[ . 1 . 2]" 1
595 1 36 HIS HA 1 46 GLU QB . . 5.340 4.630 4.344 4.830 . 0 0 "[ . 1 . 2]" 1
596 1 36 HIS HA 1 47 ALA H . . 3.400 2.753 2.266 3.293 . 0 0 "[ . 1 . 2]" 1
597 1 36 HIS HA 1 47 ALA MB . . 5.040 3.289 2.799 3.674 . 0 0 "[ . 1 . 2]" 1
598 1 36 HIS HB2 1 37 VAL H . . 4.330 4.188 3.893 4.306 . 0 0 "[ . 1 . 2]" 1
599 1 36 HIS HB2 1 44 VAL MG2 . . 3.650 2.885 2.686 3.076 . 0 0 "[ . 1 . 2]" 1
600 1 36 HIS HB2 1 45 THR H . . 5.500 5.428 5.243 5.498 . 0 0 "[ . 1 . 2]" 1
601 1 36 HIS HB2 1 72 SER H . . 5.030 3.584 3.299 3.974 . 0 0 "[ . 1 . 2]" 1
602 1 36 HIS HB2 1 72 SER HB2 . . 4.700 3.104 2.142 4.284 . 0 0 "[ . 1 . 2]" 1
603 1 36 HIS HB2 1 72 SER QB . . 4.050 2.726 2.131 3.518 . 0 0 "[ . 1 . 2]" 1
604 1 36 HIS HB2 1 72 SER HB3 . . 4.700 3.824 2.330 4.580 . 0 0 "[ . 1 . 2]" 1
605 1 36 HIS HB3 1 37 VAL H . . 3.680 3.346 2.881 3.560 . 0 0 "[ . 1 . 2]" 1
606 1 36 HIS HB3 1 44 VAL MG2 . . 3.430 2.021 1.898 2.146 . 0 0 "[ . 1 . 2]" 1
607 1 36 HIS HB3 1 45 THR H . . 4.830 3.957 3.748 4.080 . 0 0 "[ . 1 . 2]" 1
608 1 36 HIS HB3 1 46 GLU HA . . 4.710 3.856 3.473 4.125 . 0 0 "[ . 1 . 2]" 1
609 1 36 HIS HB3 1 72 SER H . . 5.280 4.915 4.601 5.173 . 0 0 "[ . 1 . 2]" 1
610 1 36 HIS HD2 1 37 VAL H . . 4.850 4.739 4.468 4.848 . 0 0 "[ . 1 . 2]" 1
611 1 36 HIS HD2 1 44 VAL MG2 . . 3.830 3.697 3.489 3.826 . 0 0 "[ . 1 . 2]" 1
612 1 36 HIS HD2 1 46 GLU HA . . 4.230 2.332 2.025 2.542 . 0 0 "[ . 1 . 2]" 1
613 1 36 HIS HD2 1 46 GLU HB2 . . 5.040 3.013 2.552 3.460 . 0 0 "[ . 1 . 2]" 1
614 1 36 HIS HD2 1 46 GLU QB . . 4.260 2.966 2.530 3.377 . 0 0 "[ . 1 . 2]" 1
615 1 36 HIS HD2 1 46 GLU HB3 . . 5.040 4.452 4.129 4.727 . 0 0 "[ . 1 . 2]" 1
616 1 36 HIS HD2 1 47 ALA H . . 5.110 4.049 3.814 4.388 . 0 0 "[ . 1 . 2]" 1
617 1 37 VAL H 1 37 VAL HB . . 3.240 2.461 2.418 2.523 . 0 0 "[ . 1 . 2]" 1
618 1 37 VAL H 1 37 VAL MG1 . . 4.000 3.768 3.751 3.795 . 0 0 "[ . 1 . 2]" 1
619 1 37 VAL H 1 37 VAL MG2 . . 3.480 2.490 2.325 2.649 . 0 0 "[ . 1 . 2]" 1
620 1 37 VAL H 1 44 VAL MG2 . . 4.130 3.215 3.019 3.412 . 0 0 "[ . 1 . 2]" 1
621 1 37 VAL H 1 45 THR HB . . 4.970 4.698 4.479 4.968 . 0 0 "[ . 1 . 2]" 1
622 1 37 VAL H 1 46 GLU H . . 5.260 4.844 4.502 5.008 . 0 0 "[ . 1 . 2]" 1
623 1 37 VAL H 1 46 GLU HA . . 3.990 3.747 3.492 3.935 . 0 0 "[ . 1 . 2]" 1
624 1 37 VAL H 1 47 ALA H . . 4.260 3.879 3.638 4.260 . 0 0 "[ . 1 . 2]" 1
625 1 37 VAL H 1 47 ALA MB . . 4.410 3.435 3.177 3.664 . 0 0 "[ . 1 . 2]" 1
626 1 37 VAL HA 1 38 THR H . . 3.070 2.186 2.152 2.215 . 0 0 "[ . 1 . 2]" 1
627 1 37 VAL HA 1 71 VAL MG2 . . 4.380 3.525 3.300 3.713 . 0 0 "[ . 1 . 2]" 1
628 1 37 VAL HB 1 38 THR H . . 4.490 4.447 4.384 4.485 . 0 0 "[ . 1 . 2]" 1
629 1 37 VAL HB 1 45 THR H . . 3.970 3.315 3.180 3.492 . 0 0 "[ . 1 . 2]" 1
630 1 37 VAL HB 1 45 THR HB . . 4.640 4.539 4.421 4.642 0.002 19 0 "[ . 1 . 2]" 1
631 1 37 VAL HB 1 47 ALA MB . . 4.340 4.192 4.046 4.341 0.001 19 0 "[ . 1 . 2]" 1
632 1 37 VAL MG1 1 38 THR H . . 3.390 3.143 2.876 3.358 . 0 0 "[ . 1 . 2]" 1
633 1 37 VAL MG1 1 38 THR HA . . 4.730 3.992 3.879 4.158 . 0 0 "[ . 1 . 2]" 1
634 1 37 VAL MG1 1 39 SER HA . . 4.580 4.161 3.988 4.328 . 0 0 "[ . 1 . 2]" 1
635 1 37 VAL MG1 1 45 THR H . . 4.720 4.041 3.913 4.239 . 0 0 "[ . 1 . 2]" 1
636 1 37 VAL MG1 1 47 ALA MB . . 4.770 4.643 4.515 4.759 . 0 0 "[ . 1 . 2]" 1
637 1 37 VAL MG1 1 61 PHE QD . . 4.170 3.491 3.129 3.820 . 0 0 "[ . 1 . 2]" 1
638 1 37 VAL MG1 1 61 PHE QE . . 4.070 3.814 3.321 4.029 . 0 0 "[ . 1 . 2]" 1
639 1 37 VAL MG1 1 69 HIS HB2 . . 3.750 3.223 2.794 3.559 . 0 0 "[ . 1 . 2]" 1
640 1 37 VAL MG1 1 69 HIS HB3 . . 4.100 2.390 1.969 2.768 . 0 0 "[ . 1 . 2]" 1
641 1 37 VAL MG1 1 69 HIS HD2 . . 3.220 2.487 2.190 2.785 . 0 0 "[ . 1 . 2]" 1
642 1 37 VAL MG1 1 70 THR H . . 4.230 3.705 3.334 4.109 . 0 0 "[ . 1 . 2]" 1
643 1 37 VAL MG1 1 87 PHE QE . . 4.980 3.782 3.294 4.188 . 0 0 "[ . 1 . 2]" 1
644 1 37 VAL MG1 1 87 PHE HZ . . 4.320 3.258 2.680 3.654 . 0 0 "[ . 1 . 2]" 1
645 1 37 VAL MG2 1 38 THR H . . 4.320 4.164 4.091 4.217 . 0 0 "[ . 1 . 2]" 1
646 1 37 VAL MG2 1 45 THR H . . 4.680 4.575 4.464 4.673 . 0 0 "[ . 1 . 2]" 1
647 1 37 VAL MG2 1 47 ALA H . . 4.570 4.193 3.804 4.472 . 0 0 "[ . 1 . 2]" 1
648 1 37 VAL MG2 1 47 ALA MB . . 3.070 2.280 2.113 2.535 . 0 0 "[ . 1 . 2]" 1
649 1 37 VAL MG2 1 59 VAL MG1 . . 4.000 3.302 3.067 3.501 . 0 0 "[ . 1 . 2]" 1
650 1 37 VAL MG2 1 61 PHE QB . . 3.840 2.262 1.931 2.635 . 0 0 "[ . 1 . 2]" 1
651 1 37 VAL MG2 1 61 PHE QD . . 4.000 2.717 2.413 2.963 . 0 0 "[ . 1 . 2]" 1
652 1 37 VAL MG2 1 61 PHE QE . . 4.530 3.376 2.613 3.756 . 0 0 "[ . 1 . 2]" 1
653 1 37 VAL MG2 1 69 HIS HD2 . . 5.390 4.980 4.726 5.245 . 0 0 "[ . 1 . 2]" 1
654 1 37 VAL MG2 1 71 VAL HA . . 4.270 3.791 3.533 4.006 . 0 0 "[ . 1 . 2]" 1
655 1 37 VAL MG2 1 71 VAL MG2 . . 3.310 3.059 2.682 3.282 . 0 0 "[ . 1 . 2]" 1
656 1 37 VAL MG2 1 72 SER H . . 5.180 4.930 4.701 5.087 . 0 0 "[ . 1 . 2]" 1
657 1 37 VAL MG2 1 87 PHE QE . . 5.070 3.871 3.358 4.302 . 0 0 "[ . 1 . 2]" 1
658 1 37 VAL MG2 1 87 PHE HZ . . 5.390 3.999 3.522 4.435 . 0 0 "[ . 1 . 2]" 1
659 1 38 THR H 1 38 THR HB . . 3.250 2.618 2.437 2.765 . 0 0 "[ . 1 . 2]" 1
660 1 38 THR H 1 38 THR MG . . 3.980 3.800 3.763 3.837 . 0 0 "[ . 1 . 2]" 1
661 1 38 THR H 1 39 SER H . . 4.680 4.545 4.431 4.609 . 0 0 "[ . 1 . 2]" 1
662 1 38 THR H 1 69 HIS HB2 . . 5.500 5.277 4.881 5.500 . 0 0 "[ . 1 . 2]" 1
663 1 38 THR H 1 70 THR H . . 3.650 2.987 2.579 3.202 . 0 0 "[ . 1 . 2]" 1
664 1 38 THR H 1 70 THR HB . . 4.010 3.845 3.630 4.011 0.001 20 0 "[ . 1 . 2]" 1
665 1 38 THR H 1 71 VAL HA . . 3.990 3.686 3.340 3.925 . 0 0 "[ . 1 . 2]" 1
666 1 38 THR H 1 71 VAL MG2 . . 4.670 4.559 4.384 4.669 . 0 0 "[ . 1 . 2]" 1
667 1 38 THR H 1 72 SER H . . 4.740 4.016 3.652 4.601 . 0 0 "[ . 1 . 2]" 1
668 1 38 THR HA 1 38 THR MG . . 3.320 2.305 2.185 2.434 . 0 0 "[ . 1 . 2]" 1
669 1 38 THR HA 1 39 SER H . . 2.710 2.196 2.142 2.280 . 0 0 "[ . 1 . 2]" 1
670 1 38 THR HA 1 43 ARG H . . 5.090 4.985 4.754 5.094 0.004 10 0 "[ . 1 . 2]" 1
671 1 38 THR HA 1 44 VAL MG1 . . 4.080 3.877 3.757 3.993 . 0 0 "[ . 1 . 2]" 1
672 1 38 THR HB 1 39 SER H . . 4.140 3.960 3.699 4.124 . 0 0 "[ . 1 . 2]" 1
673 1 38 THR HB 1 44 VAL MG1 . . 5.500 5.449 5.332 5.497 . 0 0 "[ . 1 . 2]" 1
674 1 38 THR HB 1 70 THR H . . 3.650 2.975 2.708 3.289 . 0 0 "[ . 1 . 2]" 1
675 1 38 THR MG 1 39 SER H . . 3.360 2.329 2.027 2.737 . 0 0 "[ . 1 . 2]" 1
676 1 38 THR MG 1 42 GLY H . . 4.090 4.024 3.920 4.081 . 0 0 "[ . 1 . 2]" 1
677 1 38 THR MG 1 42 GLY HA2 . . 4.010 3.744 3.482 3.954 . 0 0 "[ . 1 . 2]" 1
678 1 38 THR MG 1 43 ARG H . . 4.100 3.923 3.715 4.088 . 0 0 "[ . 1 . 2]" 1
679 1 38 THR MG 1 70 THR H . . 4.600 4.190 3.926 4.512 . 0 0 "[ . 1 . 2]" 1
680 1 39 SER H 1 39 SER QB . . 3.270 2.360 2.199 2.635 . 0 0 "[ . 1 . 2]" 1
681 1 39 SER H 1 40 PRO HD3 . . 5.150 5.057 5.008 5.091 . 0 0 "[ . 1 . 2]" 1
682 1 39 SER H 1 41 SER H . . 5.480 4.559 4.387 4.713 . 0 0 "[ . 1 . 2]" 1
683 1 39 SER H 1 42 GLY H . . 4.280 3.938 3.737 4.097 . 0 0 "[ . 1 . 2]" 1
684 1 39 SER H 1 42 GLY HA2 . . 5.180 4.772 4.462 5.004 . 0 0 "[ . 1 . 2]" 1
685 1 39 SER H 1 43 ARG H . . 3.740 3.113 2.821 3.265 . 0 0 "[ . 1 . 2]" 1
686 1 39 SER H 1 44 VAL H . . 5.190 4.384 4.263 4.512 . 0 0 "[ . 1 . 2]" 1
687 1 39 SER H 1 44 VAL HB . . 4.480 3.568 3.232 3.820 . 0 0 "[ . 1 . 2]" 1
688 1 39 SER H 1 44 VAL MG1 . . 4.840 4.633 4.451 4.800 . 0 0 "[ . 1 . 2]" 1
689 1 39 SER HA 1 40 PRO HD2 . . 3.240 2.431 2.372 2.493 . 0 0 "[ . 1 . 2]" 1
690 1 39 SER HA 1 40 PRO HD3 . . 3.590 2.311 2.287 2.338 . 0 0 "[ . 1 . 2]" 1
691 1 39 SER HA 1 40 PRO QG . . 4.600 4.020 3.983 4.060 . 0 0 "[ . 1 . 2]" 1
692 1 39 SER HA 1 69 HIS HA . . 4.670 2.959 2.758 3.159 . 0 0 "[ . 1 . 2]" 1
693 1 39 SER HA 1 69 HIS HB3 . . 3.830 3.534 3.179 3.767 . 0 0 "[ . 1 . 2]" 1
694 1 39 SER HA 1 69 HIS HD2 . . 4.070 3.019 2.699 3.297 . 0 0 "[ . 1 . 2]" 1
695 1 39 SER HA 1 70 THR H . . 4.570 4.202 3.948 4.569 . 0 0 "[ . 1 . 2]" 1
696 1 39 SER QB 1 40 PRO HD2 . . 3.510 2.037 1.987 2.184 . 0 0 "[ . 1 . 2]" 1
697 1 39 SER QB 1 40 PRO HD3 . . 3.610 3.390 3.281 3.514 . 0 0 "[ . 1 . 2]" 1
698 1 39 SER QB 1 41 SER H . . 3.480 2.401 2.202 3.007 . 0 0 "[ . 1 . 2]" 1
699 1 39 SER QB 1 42 GLY H . . 4.040 3.166 2.840 3.949 . 0 0 "[ . 1 . 2]" 1
700 1 39 SER QB 1 43 ARG QB . . 3.870 2.416 1.995 2.899 . 0 0 "[ . 1 . 2]" 1
701 1 39 SER QB 1 43 ARG QD . . 5.340 3.982 3.392 4.963 . 0 0 "[ . 1 . 2]" 1
702 1 39 SER QB 1 69 HIS HD2 . . 4.400 3.888 3.263 4.274 . 0 0 "[ . 1 . 2]" 1
703 1 39 SER HB2 1 40 PRO HD2 . . 4.050 3.320 1.997 3.735 . 0 0 "[ . 1 . 2]" 1
704 1 39 SER HB2 1 41 SER H . . 4.340 3.188 2.806 3.392 . 0 0 "[ . 1 . 2]" 1
705 1 39 SER HB2 1 42 GLY H . . 4.690 3.453 3.038 4.369 . 0 0 "[ . 1 . 2]" 1
706 1 39 SER HB2 1 43 ARG H . . 4.360 2.567 1.959 3.949 . 0 0 "[ . 1 . 2]" 1
707 1 39 SER HB2 1 43 ARG HB2 . . 5.500 4.086 3.407 5.267 . 0 0 "[ . 1 . 2]" 1
708 1 39 SER HB2 1 43 ARG HB3 . . 5.500 2.672 2.032 3.890 . 0 0 "[ . 1 . 2]" 1
709 1 39 SER HB2 1 69 HIS HD2 . . 5.020 4.513 3.789 4.989 . 0 0 "[ . 1 . 2]" 1
710 1 39 SER HB3 1 40 PRO HD2 . . 4.050 2.363 1.999 3.637 . 0 0 "[ . 1 . 2]" 1
711 1 39 SER HB3 1 41 SER H . . 4.340 2.671 2.235 4.111 . 0 0 "[ . 1 . 2]" 1
712 1 39 SER HB3 1 42 GLY H . . 4.690 3.706 3.237 4.655 . 0 0 "[ . 1 . 2]" 1
713 1 39 SER HB3 1 43 ARG H . . 4.360 3.384 3.075 3.647 . 0 0 "[ . 1 . 2]" 1
714 1 39 SER HB3 1 43 ARG HB2 . . 5.500 4.828 4.202 5.247 . 0 0 "[ . 1 . 2]" 1
715 1 39 SER HB3 1 43 ARG HB3 . . 5.500 3.447 2.684 3.887 . 0 0 "[ . 1 . 2]" 1
716 1 39 SER HB3 1 69 HIS HD2 . . 5.020 4.258 3.559 4.750 . 0 0 "[ . 1 . 2]" 1
717 1 40 PRO HA 1 42 GLY H . . 4.600 3.994 3.858 4.161 . 0 0 "[ . 1 . 2]" 1
718 1 40 PRO QB 1 41 SER H . . 3.860 3.613 3.542 3.696 . 0 0 "[ . 1 . 2]" 1
719 1 40 PRO QB 1 67 GLY HA2 . . 5.340 4.304 3.856 4.745 . 0 0 "[ . 1 . 2]" 1
720 1 40 PRO QB 1 68 VAL H . . 4.320 3.219 2.857 3.727 . 0 0 "[ . 1 . 2]" 1
721 1 40 PRO HB2 1 41 SER H . . 4.530 3.830 3.742 3.934 . 0 0 "[ . 1 . 2]" 1
722 1 40 PRO HB3 1 41 SER H . . 4.530 4.428 4.378 4.487 . 0 0 "[ . 1 . 2]" 1
723 1 40 PRO HD2 1 41 SER H . . 3.480 2.874 2.795 2.987 . 0 0 "[ . 1 . 2]" 1
724 1 40 PRO HD2 1 42 GLY H . . 4.930 4.691 4.580 4.767 . 0 0 "[ . 1 . 2]" 1
725 1 40 PRO HD2 1 43 ARG H . . 5.500 5.167 5.020 5.256 . 0 0 "[ . 1 . 2]" 1
726 1 40 PRO HD2 1 67 GLY HA2 . . 5.500 4.979 4.621 5.168 . 0 0 "[ . 1 . 2]" 1
727 1 40 PRO HD2 1 69 HIS HA . . 4.750 4.288 4.007 4.626 . 0 0 "[ . 1 . 2]" 1
728 1 40 PRO HD2 1 69 HIS HD1 . . 5.500 5.137 4.887 5.394 . 0 0 "[ . 1 . 2]" 1
729 1 40 PRO HD2 1 69 HIS HD2 . . 4.940 4.238 3.741 4.518 . 0 0 "[ . 1 . 2]" 1
730 1 40 PRO HD3 1 41 SER H . . 4.030 3.962 3.921 4.022 . 0 0 "[ . 1 . 2]" 1
731 1 40 PRO HD3 1 42 GLY H . . 5.500 5.482 5.439 5.506 0.006 10 0 "[ . 1 . 2]" 1
732 1 40 PRO HD3 1 69 HIS HB3 . . 5.060 4.375 4.078 4.751 . 0 0 "[ . 1 . 2]" 1
733 1 40 PRO QG 1 41 SER H . . 3.770 3.044 2.905 3.217 . 0 0 "[ . 1 . 2]" 1
734 1 40 PRO QG 1 67 GLY HA2 . . 4.240 2.810 2.404 3.178 . 0 0 "[ . 1 . 2]" 1
735 1 40 PRO HG2 1 67 GLY HA2 . . 5.050 3.966 3.641 4.203 . 0 0 "[ . 1 . 2]" 1
736 1 40 PRO HG2 1 68 VAL H . . 4.220 4.001 3.728 4.217 . 0 0 "[ . 1 . 2]" 1
737 1 40 PRO HG3 1 67 GLY HA2 . . 5.050 2.877 2.439 3.290 . 0 0 "[ . 1 . 2]" 1
738 1 40 PRO HG3 1 68 VAL H . . 4.220 2.328 2.050 2.569 . 0 0 "[ . 1 . 2]" 1
739 1 41 SER H 1 41 SER QB . . 3.880 2.663 2.477 2.793 . 0 0 "[ . 1 . 2]" 1
740 1 41 SER H 1 41 SER HG . . 3.640 2.852 2.126 3.540 . 0 0 "[ . 1 . 2]" 1
741 1 41 SER H 1 42 GLY HA2 . . 4.790 4.597 4.458 4.701 . 0 0 "[ . 1 . 2]" 1
742 1 41 SER H 1 43 ARG H . . 3.510 3.340 3.201 3.489 . 0 0 "[ . 1 . 2]" 1
743 1 41 SER QB 1 42 GLY H . . 4.640 3.679 3.609 3.747 . 0 0 "[ . 1 . 2]" 1
744 1 41 SER QB 1 43 ARG H . . 4.930 4.301 4.168 4.498 . 0 0 "[ . 1 . 2]" 1
745 1 41 SER QB 1 43 ARG HB2 . . 5.500 4.732 4.496 4.866 . 0 0 "[ . 1 . 2]" 1
746 1 41 SER QB 1 43 ARG HB3 . . 5.500 4.865 4.632 5.180 . 0 0 "[ . 1 . 2]" 1
747 1 41 SER HG 1 42 GLY H . . 4.400 3.116 2.375 4.003 . 0 0 "[ . 1 . 2]" 1
748 1 41 SER HG 1 43 ARG H . . 3.750 2.950 2.262 3.755 0.005 10 0 "[ . 1 . 2]" 1
749 1 42 GLY H 1 42 GLY HA2 . . 2.840 2.448 2.422 2.474 . 0 0 "[ . 1 . 2]" 1
750 1 42 GLY H 1 43 ARG H . . 2.960 1.987 1.927 2.052 . 0 0 "[ . 1 . 2]" 1
751 1 42 GLY H 1 43 ARG HB2 . . 4.760 4.605 4.340 4.760 . 0 0 "[ . 1 . 2]" 1
752 1 42 GLY H 1 43 ARG QB . . 4.110 3.987 3.877 4.100 . 0 0 "[ . 1 . 2]" 1
753 1 42 GLY H 1 43 ARG HB3 . . 4.760 4.380 4.140 4.587 . 0 0 "[ . 1 . 2]" 1
754 1 42 GLY HA3 1 43 ARG H . . 3.480 3.435 3.402 3.474 . 0 0 "[ . 1 . 2]" 1
755 1 43 ARG H 1 43 ARG HB2 . . 3.150 2.959 2.846 3.122 . 0 0 "[ . 1 . 2]" 1
756 1 43 ARG H 1 43 ARG QB . . 2.680 2.458 2.376 2.526 . 0 0 "[ . 1 . 2]" 1
757 1 43 ARG H 1 43 ARG HB3 . . 3.150 2.636 2.482 2.825 . 0 0 "[ . 1 . 2]" 1
758 1 43 ARG H 1 43 ARG QD . . 4.850 4.675 4.424 4.834 . 0 0 "[ . 1 . 2]" 1
759 1 43 ARG H 1 43 ARG HG2 . . 4.780 4.459 4.335 4.574 . 0 0 "[ . 1 . 2]" 1
760 1 43 ARG H 1 43 ARG HG3 . . 4.780 4.702 4.542 4.785 0.005 11 0 "[ . 1 . 2]" 1
761 1 43 ARG H 1 44 VAL H . . 4.360 4.297 4.229 4.346 . 0 0 "[ . 1 . 2]" 1
762 1 43 ARG H 1 44 VAL HB . . 5.500 5.253 5.078 5.424 . 0 0 "[ . 1 . 2]" 1
763 1 43 ARG H 1 44 VAL MG1 . . 5.350 5.092 4.903 5.256 . 0 0 "[ . 1 . 2]" 1
764 1 43 ARG HA 1 43 ARG QD . . 4.250 4.082 3.718 4.236 . 0 0 "[ . 1 . 2]" 1
765 1 43 ARG HA 1 43 ARG HG2 . . 3.920 2.936 2.567 3.540 . 0 0 "[ . 1 . 2]" 1
766 1 43 ARG HA 1 43 ARG QG . . 3.370 2.458 2.319 2.557 . 0 0 "[ . 1 . 2]" 1
767 1 43 ARG HA 1 43 ARG HG3 . . 3.920 2.683 2.373 2.881 . 0 0 "[ . 1 . 2]" 1
768 1 43 ARG HA 1 44 VAL H . . 2.620 2.142 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
769 1 43 ARG HA 1 44 VAL HA . . 4.870 4.396 4.394 4.404 . 0 0 "[ . 1 . 2]" 1
770 1 43 ARG HA 1 44 VAL MG1 . . 3.650 3.538 3.400 3.650 0.000 17 0 "[ . 1 . 2]" 1
771 1 43 ARG QB 1 43 ARG QD . . 3.170 2.132 2.042 2.321 . 0 0 "[ . 1 . 2]" 1
772 1 43 ARG HB2 1 43 ARG QD . . 3.740 2.738 2.123 3.094 . 0 0 "[ . 1 . 2]" 1
773 1 43 ARG HB2 1 44 VAL H . . 4.390 4.345 4.238 4.393 0.003 20 0 "[ . 1 . 2]" 1
774 1 43 ARG HB3 1 43 ARG QD . . 3.740 2.337 2.081 2.887 . 0 0 "[ . 1 . 2]" 1
775 1 43 ARG HB3 1 44 VAL H . . 4.390 4.247 4.016 4.370 . 0 0 "[ . 1 . 2]" 1
776 1 43 ARG QD 1 44 VAL H . . 4.910 4.793 4.388 4.908 . 0 0 "[ . 1 . 2]" 1
777 1 43 ARG QD 1 45 THR MG . . 4.350 3.585 3.111 4.351 0.001 19 0 "[ . 1 . 2]" 1
778 1 43 ARG QG 1 44 VAL H . . 3.450 2.906 2.630 3.022 . 0 0 "[ . 1 . 2]" 1
779 1 43 ARG QG 1 44 VAL MG1 . . 4.570 4.268 4.178 4.392 . 0 0 "[ . 1 . 2]" 1
780 1 43 ARG HG2 1 44 VAL H . . 3.990 3.155 2.676 3.905 . 0 0 "[ . 1 . 2]" 1
781 1 43 ARG HG3 1 44 VAL H . . 3.990 3.619 2.940 3.959 . 0 0 "[ . 1 . 2]" 1
782 1 44 VAL H 1 44 VAL HB . . 3.310 3.188 3.078 3.316 0.006 19 0 "[ . 1 . 2]" 1
783 1 44 VAL H 1 44 VAL MG1 . . 3.160 1.971 1.880 2.166 . 0 0 "[ . 1 . 2]" 1
784 1 44 VAL H 1 44 VAL MG2 . . 4.080 3.827 3.777 3.864 . 0 0 "[ . 1 . 2]" 1
785 1 44 VAL H 1 45 THR H . . 4.520 4.442 4.354 4.490 . 0 0 "[ . 1 . 2]" 1
786 1 44 VAL HA 1 44 VAL MG1 . . 3.200 3.194 3.179 3.201 0.001 17 0 "[ . 1 . 2]" 1
787 1 44 VAL HA 1 44 VAL MG2 . . 3.190 2.411 2.325 2.484 . 0 0 "[ . 1 . 2]" 1
788 1 44 VAL HA 1 45 THR H . . 2.710 2.214 2.174 2.275 . 0 0 "[ . 1 . 2]" 1
789 1 44 VAL HA 1 45 THR MG . . 5.000 4.035 3.706 4.222 . 0 0 "[ . 1 . 2]" 1
790 1 44 VAL HB 1 45 THR H . . 4.280 3.966 3.833 4.090 . 0 0 "[ . 1 . 2]" 1
791 1 44 VAL MG1 1 45 THR H . . 4.120 3.919 3.778 4.023 . 0 0 "[ . 1 . 2]" 1
792 1 44 VAL MG2 1 45 THR H . . 3.240 2.164 1.941 2.454 . 0 0 "[ . 1 . 2]" 1
793 1 45 THR H 1 45 THR HB . . 3.850 3.679 3.183 3.795 . 0 0 "[ . 1 . 2]" 1
794 1 45 THR H 1 45 THR MG . . 3.850 3.228 2.141 3.462 . 0 0 "[ . 1 . 2]" 1
795 1 45 THR H 1 46 GLU H . . 4.620 4.433 4.396 4.468 . 0 0 "[ . 1 . 2]" 1
796 1 45 THR HA 1 45 THR MG . . 3.750 2.244 2.050 3.193 . 0 0 "[ . 1 . 2]" 1
797 1 45 THR HA 1 46 GLU H . . 3.080 2.544 2.453 2.653 . 0 0 "[ . 1 . 2]" 1
798 1 45 THR HB 1 46 GLU H . . 3.390 2.182 1.928 3.449 0.059 19 0 "[ . 1 . 2]" 1
799 1 45 THR MG 1 46 GLU H . . 3.580 3.221 3.022 3.446 . 0 0 "[ . 1 . 2]" 1
800 1 46 GLU H 1 46 GLU HB2 . . 3.310 2.748 2.535 2.950 . 0 0 "[ . 1 . 2]" 1
801 1 46 GLU H 1 46 GLU QB . . 2.890 2.337 2.223 2.409 . 0 0 "[ . 1 . 2]" 1
802 1 46 GLU H 1 46 GLU HB3 . . 3.310 2.559 2.324 2.718 . 0 0 "[ . 1 . 2]" 1
803 1 46 GLU H 1 46 GLU HG2 . . 4.670 4.472 4.295 4.657 . 0 0 "[ . 1 . 2]" 1
804 1 46 GLU H 1 46 GLU HG3 . . 4.670 4.559 4.390 4.670 0.000 20 0 "[ . 1 . 2]" 1
805 1 46 GLU H 1 47 ALA H . . 4.710 4.494 4.421 4.600 . 0 0 "[ . 1 . 2]" 1
806 1 46 GLU HA 1 46 GLU HG2 . . 3.810 3.031 2.577 3.813 0.003 4 0 "[ . 1 . 2]" 1
807 1 46 GLU HA 1 46 GLU HG3 . . 3.810 2.686 2.337 3.635 . 0 0 "[ . 1 . 2]" 1
808 1 46 GLU HA 1 47 ALA H . . 2.740 2.173 2.148 2.267 . 0 0 "[ . 1 . 2]" 1
809 1 46 GLU HA 1 47 ALA MB . . 4.170 3.929 3.848 3.980 . 0 0 "[ . 1 . 2]" 1
810 1 46 GLU QB 1 47 ALA H . . 3.740 3.681 3.494 3.742 0.002 19 0 "[ . 1 . 2]" 1
811 1 46 GLU HB2 1 47 ALA H . . 4.370 4.204 3.898 4.350 . 0 0 "[ . 1 . 2]" 1
812 1 46 GLU HB3 1 47 ALA H . . 4.370 4.078 3.859 4.231 . 0 0 "[ . 1 . 2]" 1
813 1 46 GLU HG2 1 47 ALA H . . 3.870 2.969 2.138 3.837 . 0 0 "[ . 1 . 2]" 1
814 1 46 GLU HG3 1 47 ALA H . . 3.870 3.206 2.104 3.870 . 20 0 "[ . 1 . 2]" 1
815 1 47 ALA H 1 47 ALA MB . . 2.990 2.256 2.142 2.417 . 0 0 "[ . 1 . 2]" 1
816 1 47 ALA HA 1 48 GLU H . . 3.040 2.354 2.200 2.404 . 0 0 "[ . 1 . 2]" 1
817 1 47 ALA MB 1 48 GLU H . . 3.000 2.545 2.399 2.945 . 0 0 "[ . 1 . 2]" 1
818 1 47 ALA MB 1 49 ILE H . . 5.500 5.100 4.946 5.287 . 0 0 "[ . 1 . 2]" 1
819 1 47 ALA MB 1 59 VAL HA . . 4.010 3.787 3.427 4.002 . 0 0 "[ . 1 . 2]" 1
820 1 47 ALA MB 1 59 VAL MG1 . . 2.730 1.931 1.768 2.478 . 0 0 "[ . 1 . 2]" 1
821 1 47 ALA MB 1 60 ARG H . . 4.400 4.042 3.671 4.351 . 0 0 "[ . 1 . 2]" 1
822 1 47 ALA MB 1 61 PHE QB . . 3.380 2.829 2.258 3.259 . 0 0 "[ . 1 . 2]" 1
823 1 47 ALA MB 1 61 PHE QD . . 3.910 3.021 2.395 3.610 . 0 0 "[ . 1 . 2]" 1
824 1 48 GLU H 1 48 GLU HB2 . . 3.160 2.959 2.731 3.086 . 0 0 "[ . 1 . 2]" 1
825 1 48 GLU H 1 48 GLU HB3 . . 3.030 2.449 2.264 2.582 . 0 0 "[ . 1 . 2]" 1
826 1 48 GLU H 1 48 GLU HG2 . . 4.800 4.412 4.198 4.745 . 0 0 "[ . 1 . 2]" 1
827 1 48 GLU H 1 48 GLU QG . . 4.120 3.974 3.845 4.129 0.009 17 0 "[ . 1 . 2]" 1
828 1 48 GLU H 1 48 GLU HG3 . . 4.800 4.541 4.355 4.789 . 0 0 "[ . 1 . 2]" 1
829 1 48 GLU H 1 49 ILE H . . 4.690 4.509 4.456 4.583 . 0 0 "[ . 1 . 2]" 1
830 1 48 GLU H 1 49 ILE QG . . 5.340 4.723 4.561 4.939 . 0 0 "[ . 1 . 2]" 1
831 1 48 GLU H 1 59 VAL HA . . 4.560 4.363 4.178 4.513 . 0 0 "[ . 1 . 2]" 1
832 1 48 GLU H 1 60 ARG H . . 3.790 3.607 3.263 3.789 . 0 0 "[ . 1 . 2]" 1
833 1 48 GLU H 1 60 ARG QB . . 5.340 4.381 3.809 4.712 . 0 0 "[ . 1 . 2]" 1
834 1 48 GLU H 1 61 PHE QB . . 4.350 4.082 3.772 4.351 0.001 11 0 "[ . 1 . 2]" 1
835 1 48 GLU HA 1 48 GLU HG2 . . 4.080 3.439 2.564 3.841 . 0 0 "[ . 1 . 2]" 1
836 1 48 GLU HA 1 48 GLU QG . . 3.580 2.595 2.417 2.926 . 0 0 "[ . 1 . 2]" 1
837 1 48 GLU HA 1 48 GLU HG3 . . 4.080 2.735 2.496 3.629 . 0 0 "[ . 1 . 2]" 1
838 1 48 GLU HA 1 49 ILE H . . 2.620 2.201 2.151 2.253 . 0 0 "[ . 1 . 2]" 1
839 1 48 GLU HA 1 49 ILE HA . . 4.610 4.383 4.372 4.397 . 0 0 "[ . 1 . 2]" 1
840 1 48 GLU HA 1 49 ILE HB . . 4.720 4.628 4.477 4.714 . 0 0 "[ . 1 . 2]" 1
841 1 48 GLU HA 1 49 ILE QG . . 4.450 3.507 3.330 3.849 . 0 0 "[ . 1 . 2]" 1
842 1 48 GLU HB2 1 49 ILE H . . 4.070 4.032 3.942 4.072 0.002 20 0 "[ . 1 . 2]" 1
843 1 48 GLU HB3 1 49 ILE H . . 4.380 4.099 3.867 4.342 . 0 0 "[ . 1 . 2]" 1
844 1 48 GLU HB3 1 60 ARG H . . 4.130 3.665 3.278 3.964 . 0 0 "[ . 1 . 2]" 1
845 1 48 GLU QG 1 49 ILE H . . 3.560 2.433 2.254 2.685 . 0 0 "[ . 1 . 2]" 1
846 1 48 GLU QG 1 50 VAL MG2 . . 3.590 2.430 2.019 3.514 . 0 0 "[ . 1 . 2]" 1
847 1 48 GLU HG2 1 49 ILE H . . 4.100 3.324 2.345 4.104 0.004 20 0 "[ . 1 . 2]" 1
848 1 48 GLU HG2 1 50 VAL MG2 . . 4.200 2.583 2.073 3.856 . 0 0 "[ . 1 . 2]" 1
849 1 48 GLU HG3 1 49 ILE H . . 4.100 2.627 2.268 4.063 . 0 0 "[ . 1 . 2]" 1
850 1 48 GLU HG3 1 50 VAL MG2 . . 4.200 3.433 2.274 4.050 . 0 0 "[ . 1 . 2]" 1
851 1 49 ILE H 1 49 ILE HB . . 3.170 2.590 2.414 2.694 . 0 0 "[ . 1 . 2]" 1
852 1 49 ILE H 1 49 ILE MD . . 3.950 3.677 3.433 3.886 . 0 0 "[ . 1 . 2]" 1
853 1 49 ILE H 1 49 ILE QG . . 3.330 2.592 2.415 2.761 . 0 0 "[ . 1 . 2]" 1
854 1 49 ILE H 1 49 ILE MG . . 4.080 3.827 3.738 3.873 . 0 0 "[ . 1 . 2]" 1
855 1 49 ILE H 1 50 VAL H . . 4.630 4.032 3.759 4.454 . 0 0 "[ . 1 . 2]" 1
856 1 49 ILE HA 1 49 ILE MD . . 4.410 3.881 3.813 3.929 . 0 0 "[ . 1 . 2]" 1
857 1 49 ILE HA 1 50 VAL H . . 3.280 2.225 2.140 2.319 . 0 0 "[ . 1 . 2]" 1
858 1 49 ILE HA 1 50 VAL MG2 . . 4.400 3.916 3.381 4.258 . 0 0 "[ . 1 . 2]" 1
859 1 49 ILE HA 1 58 CYS H . . 4.660 3.702 3.298 4.069 . 0 0 "[ . 1 . 2]" 1
860 1 49 ILE HA 1 59 VAL MG2 . . 4.770 3.375 3.066 3.949 . 0 0 "[ . 1 . 2]" 1
861 1 49 ILE HA 1 60 ARG H . . 4.360 4.087 3.690 4.313 . 0 0 "[ . 1 . 2]" 1
862 1 49 ILE HB 1 49 ILE MD . . 3.440 2.275 2.104 2.421 . 0 0 "[ . 1 . 2]" 1
863 1 49 ILE HB 1 50 VAL H . . 4.840 4.417 4.179 4.520 . 0 0 "[ . 1 . 2]" 1
864 1 49 ILE MD 1 57 HIS QB . . 4.340 3.796 3.212 4.201 . 0 0 "[ . 1 . 2]" 1
865 1 49 ILE QG 1 50 VAL H . . 5.340 4.357 4.121 4.461 . 0 0 "[ . 1 . 2]" 1
866 1 49 ILE QG 1 59 VAL HA . . 4.550 3.789 3.320 4.063 . 0 0 "[ . 1 . 2]" 1
867 1 49 ILE QG 1 59 VAL MG2 . . 4.050 2.660 2.173 3.149 . 0 0 "[ . 1 . 2]" 1
868 1 49 ILE HG12 1 59 VAL HA . . 5.360 4.084 3.567 4.385 . 0 0 "[ . 1 . 2]" 1
869 1 49 ILE HG13 1 59 VAL HA . . 5.360 4.511 3.956 5.010 . 0 0 "[ . 1 . 2]" 1
870 1 49 ILE MG 1 50 VAL H . . 3.820 3.265 2.548 3.562 . 0 0 "[ . 1 . 2]" 1
871 1 49 ILE MG 1 57 HIS HA . . 4.300 2.930 2.503 3.486 . 0 0 "[ . 1 . 2]" 1
872 1 49 ILE MG 1 57 HIS HB2 . . 3.860 3.283 3.032 3.468 . 0 0 "[ . 1 . 2]" 1
873 1 49 ILE MG 1 57 HIS QB . . 3.230 1.941 1.784 2.148 . 0 0 "[ . 1 . 2]" 1
874 1 49 ILE MG 1 57 HIS HB3 . . 3.860 1.956 1.795 2.169 . 0 0 "[ . 1 . 2]" 1
875 1 49 ILE MG 1 58 CYS H . . 4.050 2.737 2.080 3.179 . 0 0 "[ . 1 . 2]" 1
876 1 50 VAL H 1 50 VAL HB . . 3.630 2.532 2.365 2.731 . 0 0 "[ . 1 . 2]" 1
877 1 50 VAL H 1 50 VAL MG1 . . 4.450 3.778 3.724 3.877 . 0 0 "[ . 1 . 2]" 1
878 1 50 VAL H 1 50 VAL MG2 . . 3.360 2.318 1.871 2.519 . 0 0 "[ . 1 . 2]" 1
879 1 50 VAL H 1 51 PRO QD . . 4.910 4.284 4.212 4.343 . 0 0 "[ . 1 . 2]" 1
880 1 50 VAL H 1 58 CYS H . . 3.950 3.270 2.503 3.763 . 0 0 "[ . 1 . 2]" 1
881 1 50 VAL H 1 58 CYS HB2 . . 5.050 4.848 4.402 5.046 . 0 0 "[ . 1 . 2]" 1
882 1 50 VAL H 1 58 CYS QB . . 4.200 3.302 2.785 3.549 . 0 0 "[ . 1 . 2]" 1
883 1 50 VAL H 1 58 CYS HB3 . . 5.050 3.362 2.816 3.626 . 0 0 "[ . 1 . 2]" 1
884 1 50 VAL H 1 60 ARG H . . 4.820 4.056 3.529 4.522 . 0 0 "[ . 1 . 2]" 1
885 1 50 VAL H 1 60 ARG QB . . 5.340 4.497 4.037 5.063 . 0 0 "[ . 1 . 2]" 1
886 1 50 VAL HA 1 50 VAL MG1 . . 3.590 2.414 2.202 2.477 . 0 0 "[ . 1 . 2]" 1
887 1 50 VAL HA 1 50 VAL MG2 . . 3.600 2.368 2.239 2.531 . 0 0 "[ . 1 . 2]" 1
888 1 50 VAL HA 1 51 PRO QD . . 3.320 1.931 1.890 1.973 . 0 0 "[ . 1 . 2]" 1
889 1 50 VAL HA 1 51 PRO HG2 . . 4.770 4.269 4.202 4.337 . 0 0 "[ . 1 . 2]" 1
890 1 50 VAL HA 1 51 PRO HG3 . . 4.770 4.334 4.316 4.360 . 0 0 "[ . 1 . 2]" 1
891 1 50 VAL HB 1 51 PRO QD . . 4.130 3.895 3.745 4.112 . 0 0 "[ . 1 . 2]" 1
892 1 50 VAL HB 1 58 CYS H . . 4.360 3.835 3.322 4.325 . 0 0 "[ . 1 . 2]" 1
893 1 50 VAL HB 1 58 CYS HB2 . . 3.920 3.803 3.617 3.921 0.001 17 0 "[ . 1 . 2]" 1
894 1 50 VAL HB 1 58 CYS QB . . 3.260 2.288 2.026 2.650 . 0 0 "[ . 1 . 2]" 1
895 1 50 VAL HB 1 58 CYS HB3 . . 3.920 2.308 2.037 2.699 . 0 0 "[ . 1 . 2]" 1
896 1 50 VAL MG1 1 51 PRO QD . . 3.300 1.943 1.801 2.150 . 0 0 "[ . 1 . 2]" 1
897 1 50 VAL MG2 1 51 PRO QD . . 3.980 3.315 3.167 3.552 . 0 0 "[ . 1 . 2]" 1
898 1 50 VAL MG2 1 58 CYS QB . . 3.860 3.537 3.295 3.804 . 0 0 "[ . 1 . 2]" 1
899 1 50 VAL MG2 1 60 ARG H . . 4.550 3.796 3.305 4.193 . 0 0 "[ . 1 . 2]" 1
900 1 50 VAL MG2 1 60 ARG HB2 . . 4.280 3.271 2.872 4.186 . 0 0 "[ . 1 . 2]" 1
901 1 50 VAL MG2 1 60 ARG QB . . 3.580 2.932 2.568 3.223 . 0 0 "[ . 1 . 2]" 1
902 1 50 VAL MG2 1 60 ARG HB3 . . 4.280 3.722 2.792 4.283 0.003 6 0 "[ . 1 . 2]" 1
903 1 50 VAL MG2 1 60 ARG QD . . 3.570 3.084 2.155 3.568 . 0 0 "[ . 1 . 2]" 1
904 1 51 PRO HA 1 52 MET H . . 3.020 2.247 2.153 2.340 . 0 0 "[ . 1 . 2]" 1
905 1 51 PRO HA 1 53 GLY H . . 4.930 3.834 3.123 4.628 . 0 0 "[ . 1 . 2]" 1
906 1 51 PRO QB 1 52 MET H . . 4.090 3.710 3.436 3.851 . 0 0 "[ . 1 . 2]" 1
907 1 51 PRO HB2 1 52 MET H . . 4.650 4.020 3.686 4.190 . 0 0 "[ . 1 . 2]" 1
908 1 51 PRO HB3 1 52 MET H . . 4.650 4.357 4.106 4.493 . 0 0 "[ . 1 . 2]" 1
909 1 52 MET H 1 52 MET HB2 . . 3.560 2.323 2.179 2.575 . 0 0 "[ . 1 . 2]" 1
910 1 52 MET H 1 52 MET HB3 . . 3.610 3.554 3.487 3.616 0.006 4 0 "[ . 1 . 2]" 1
911 1 52 MET H 1 52 MET HG2 . . 3.910 3.073 2.547 3.855 . 0 0 "[ . 1 . 2]" 1
912 1 52 MET H 1 52 MET HG3 . . 3.910 3.324 2.253 3.915 0.005 18 0 "[ . 1 . 2]" 1
913 1 52 MET H 1 56 SER HB2 . . 5.220 3.924 2.796 5.141 . 0 0 "[ . 1 . 2]" 1
914 1 52 MET H 1 56 SER HB3 . . 5.220 4.146 3.377 4.833 . 0 0 "[ . 1 . 2]" 1
915 1 52 MET H 1 57 HIS HA . . 3.870 3.325 2.736 3.870 0.000 4 0 "[ . 1 . 2]" 1
916 1 52 MET H 1 58 CYS H . . 4.500 3.989 3.396 4.453 . 0 0 "[ . 1 . 2]" 1
917 1 52 MET H 1 58 CYS QB . . 5.080 4.117 3.625 4.864 . 0 0 "[ . 1 . 2]" 1
918 1 52 MET HA 1 52 MET ME . . 4.790 3.523 2.106 4.715 . 0 0 "[ . 1 . 2]" 1
919 1 52 MET HB2 1 52 MET ME . . 4.210 3.842 2.236 4.218 0.008 8 0 "[ . 1 . 2]" 1
920 1 52 MET HB2 1 53 GLY H . . 4.700 2.644 2.021 3.547 . 0 0 "[ . 1 . 2]" 1
921 1 52 MET HB2 1 56 SER HB2 . . 4.260 2.494 1.999 3.607 . 0 0 "[ . 1 . 2]" 1
922 1 52 MET HB2 1 56 SER QB . . 3.590 2.061 1.807 2.544 . 0 0 "[ . 1 . 2]" 1
923 1 52 MET HB2 1 56 SER HB3 . . 4.260 2.300 2.015 2.984 . 0 0 "[ . 1 . 2]" 1
924 1 52 MET HB2 1 57 HIS H . . 4.540 4.142 3.404 4.497 . 0 0 "[ . 1 . 2]" 1
925 1 52 MET HB3 1 52 MET QG . . 2.570 2.426 2.342 2.474 . 0 0 "[ . 1 . 2]" 1
926 1 52 MET HB3 1 53 GLY H . . 4.370 3.365 2.748 4.162 . 0 0 "[ . 1 . 2]" 1
927 1 52 MET HB3 1 56 SER HB2 . . 4.440 3.165 2.349 4.337 . 0 0 "[ . 1 . 2]" 1
928 1 52 MET HB3 1 56 SER QB . . 3.800 2.705 2.141 3.254 . 0 0 "[ . 1 . 2]" 1
929 1 52 MET HB3 1 56 SER HB3 . . 4.440 3.000 2.440 3.615 . 0 0 "[ . 1 . 2]" 1
930 1 52 MET ME 1 52 MET QG . . 3.450 2.129 1.972 2.484 . 0 0 "[ . 1 . 2]" 1
931 1 52 MET ME 1 58 CYS HB2 . . 4.150 2.765 2.179 3.515 . 0 0 "[ . 1 . 2]" 1
932 1 52 MET ME 1 58 CYS HB3 . . 4.150 3.555 2.016 4.028 . 0 0 "[ . 1 . 2]" 1
933 1 52 MET QG 1 58 CYS H . . 4.000 3.296 2.777 3.762 . 0 0 "[ . 1 . 2]" 1
934 1 52 MET QG 1 58 CYS QB . . 3.250 1.938 1.774 2.394 . 0 0 "[ . 1 . 2]" 1
935 1 52 MET HG2 1 58 CYS H . . 4.700 3.996 2.977 4.678 . 0 0 "[ . 1 . 2]" 1
936 1 52 MET HG2 1 58 CYS HB2 . . 4.160 2.351 2.002 3.197 . 0 0 "[ . 1 . 2]" 1
937 1 52 MET HG2 1 58 CYS HB3 . . 4.160 3.092 2.608 4.065 . 0 0 "[ . 1 . 2]" 1
938 1 52 MET HG3 1 58 CYS H . . 4.700 3.756 2.834 4.407 . 0 0 "[ . 1 . 2]" 1
939 1 52 MET HG3 1 58 CYS HB2 . . 4.160 2.242 1.999 2.820 . 0 0 "[ . 1 . 2]" 1
940 1 52 MET HG3 1 58 CYS HB3 . . 4.160 3.457 2.229 3.928 . 0 0 "[ . 1 . 2]" 1
941 1 53 GLY H 1 56 SER H . . 4.420 3.224 2.708 4.111 . 0 0 "[ . 1 . 2]" 1
942 1 53 GLY H 1 56 SER HB2 . . 5.480 2.552 1.903 3.912 . 0 0 "[ . 1 . 2]" 1
943 1 53 GLY H 1 56 SER QB . . 4.700 2.379 1.894 3.346 . 0 0 "[ . 1 . 2]" 1
944 1 53 GLY H 1 56 SER HB3 . . 5.480 3.659 1.921 4.948 . 0 0 "[ . 1 . 2]" 1
945 1 54 LYS HA 1 54 LYS QD . . 3.870 3.057 2.022 3.923 0.053 8 0 "[ . 1 . 2]" 1
946 1 54 LYS HA 1 54 LYS HG2 . . 3.730 2.898 2.175 3.724 . 0 0 "[ . 1 . 2]" 1
947 1 54 LYS HA 1 54 LYS HG3 . . 3.730 3.002 2.204 3.715 . 0 0 "[ . 1 . 2]" 1
948 1 54 LYS HA 1 56 SER H . . 4.390 4.181 3.834 4.368 . 0 0 "[ . 1 . 2]" 1
949 1 54 LYS QB 1 54 LYS QE . . 4.560 3.134 2.021 3.779 . 0 0 "[ . 1 . 2]" 1
950 1 54 LYS QB 1 55 ASN H . . 5.140 2.955 1.894 4.004 . 0 0 "[ . 1 . 2]" 1
951 1 54 LYS QE 1 54 LYS HG2 . . 3.690 2.692 2.086 3.449 . 0 0 "[ . 1 . 2]" 1
952 1 54 LYS QE 1 54 LYS HG3 . . 3.690 2.606 2.137 3.410 . 0 0 "[ . 1 . 2]" 1
953 1 55 ASN H 1 56 SER H . . 3.770 2.865 2.509 3.124 . 0 0 "[ . 1 . 2]" 1
954 1 55 ASN HA 1 56 SER H . . 3.460 2.826 2.624 2.985 . 0 0 "[ . 1 . 2]" 1
955 1 55 ASN QB 1 55 ASN QD . . 3.050 2.132 2.065 2.358 . 0 0 "[ . 1 . 2]" 1
956 1 55 ASN HB2 1 56 SER H . . 4.820 4.324 4.042 4.468 . 0 0 "[ . 1 . 2]" 1
957 1 55 ASN HB3 1 56 SER H . . 4.820 4.629 4.493 4.668 . 0 0 "[ . 1 . 2]" 1
958 1 56 SER H 1 56 SER HB2 . . 3.830 2.563 2.289 2.839 . 0 0 "[ . 1 . 2]" 1
959 1 56 SER H 1 56 SER QB . . 3.080 2.490 2.263 2.679 . 0 0 "[ . 1 . 2]" 1
960 1 56 SER H 1 56 SER HB3 . . 3.830 3.605 2.573 3.797 . 0 0 "[ . 1 . 2]" 1
961 1 56 SER H 1 57 HIS H . . 4.650 4.441 4.299 4.591 . 0 0 "[ . 1 . 2]" 1
962 1 56 SER HA 1 57 HIS H . . 2.780 2.213 2.142 2.311 . 0 0 "[ . 1 . 2]" 1
963 1 56 SER HA 1 57 HIS HD2 . . 4.840 4.112 3.465 4.825 . 0 0 "[ . 1 . 2]" 1
964 1 56 SER QB 1 57 HIS H . . 3.550 3.024 2.642 3.520 . 0 0 "[ . 1 . 2]" 1
965 1 56 SER HB2 1 57 HIS H . . 4.380 4.112 3.655 4.326 . 0 0 "[ . 1 . 2]" 1
966 1 56 SER HB3 1 57 HIS H . . 4.380 3.126 2.688 3.856 . 0 0 "[ . 1 . 2]" 1
967 1 57 HIS H 1 57 HIS HB2 . . 3.980 2.936 2.787 3.144 . 0 0 "[ . 1 . 2]" 1
968 1 57 HIS H 1 57 HIS QB . . 3.320 2.849 2.718 3.029 . 0 0 "[ . 1 . 2]" 1
969 1 57 HIS H 1 57 HIS HB3 . . 3.980 3.852 3.771 3.962 . 0 0 "[ . 1 . 2]" 1
970 1 57 HIS H 1 57 HIS HD2 . . 3.700 3.320 2.615 3.686 . 0 0 "[ . 1 . 2]" 1
971 1 57 HIS H 1 58 CYS H . . 4.640 4.376 4.291 4.456 . 0 0 "[ . 1 . 2]" 1
972 1 57 HIS H 1 58 CYS HA . . 5.010 4.854 4.728 4.977 . 0 0 "[ . 1 . 2]" 1
973 1 57 HIS HA 1 58 CYS H . . 3.270 2.198 2.147 2.279 . 0 0 "[ . 1 . 2]" 1
974 1 57 HIS QB 1 58 CYS H . . 3.850 2.999 2.722 3.234 . 0 0 "[ . 1 . 2]" 1
975 1 57 HIS HB2 1 58 CYS H . . 4.420 3.811 3.563 4.003 . 0 0 "[ . 1 . 2]" 1
976 1 57 HIS HB3 1 58 CYS H . . 4.420 3.140 2.801 3.423 . 0 0 "[ . 1 . 2]" 1
977 1 58 CYS H 1 58 CYS HB2 . . 3.700 3.011 2.751 3.433 . 0 0 "[ . 1 . 2]" 1
978 1 58 CYS H 1 58 CYS QB . . 3.140 2.527 2.348 2.612 . 0 0 "[ . 1 . 2]" 1
979 1 58 CYS H 1 58 CYS HB3 . . 3.700 2.761 2.408 2.986 . 0 0 "[ . 1 . 2]" 1
980 1 58 CYS H 1 59 VAL H . . 4.980 4.165 3.978 4.379 . 0 0 "[ . 1 . 2]" 1
981 1 58 CYS H 1 59 VAL MG2 . . 4.740 4.323 4.207 4.511 . 0 0 "[ . 1 . 2]" 1
982 1 58 CYS HA 1 59 VAL H . . 3.150 2.153 2.139 2.194 . 0 0 "[ . 1 . 2]" 1
983 1 58 CYS HA 1 59 VAL HB . . 4.680 4.626 4.495 4.678 . 0 0 "[ . 1 . 2]" 1
984 1 58 CYS HA 1 59 VAL MG2 . . 4.340 3.786 3.457 4.161 . 0 0 "[ . 1 . 2]" 1
985 1 58 CYS HB2 1 59 VAL H . . 4.650 4.410 4.200 4.540 . 0 0 "[ . 1 . 2]" 1
986 1 58 CYS HB3 1 59 VAL H . . 4.650 4.251 3.787 4.537 . 0 0 "[ . 1 . 2]" 1
987 1 59 VAL H 1 59 VAL HB . . 3.690 2.506 2.365 2.639 . 0 0 "[ . 1 . 2]" 1
988 1 59 VAL H 1 59 VAL MG2 . . 3.480 2.479 2.219 2.781 . 0 0 "[ . 1 . 2]" 1
989 1 59 VAL HA 1 59 VAL MG1 . . 3.690 2.416 2.336 2.463 . 0 0 "[ . 1 . 2]" 1
990 1 59 VAL HA 1 59 VAL MG2 . . 3.640 2.347 2.181 2.457 . 0 0 "[ . 1 . 2]" 1
991 1 59 VAL HA 1 60 ARG H . . 2.940 2.165 2.141 2.234 . 0 0 "[ . 1 . 2]" 1
992 1 59 VAL MG1 1 60 ARG H . . 3.580 2.932 2.466 3.328 . 0 0 "[ . 1 . 2]" 1
993 1 59 VAL MG1 1 60 ARG HA . . 4.680 3.827 3.548 4.073 . 0 0 "[ . 1 . 2]" 1
994 1 59 VAL MG1 1 61 PHE QB . . 4.470 3.150 2.875 3.341 . 0 0 "[ . 1 . 2]" 1
995 1 59 VAL MG1 1 61 PHE QD . . 3.760 1.974 1.828 2.248 . 0 0 "[ . 1 . 2]" 1
996 1 59 VAL MG1 1 61 PHE QE . . 4.130 2.758 2.033 3.719 . 0 0 "[ . 1 . 2]" 1
997 1 59 VAL MG2 1 60 ARG H . . 4.280 4.131 3.878 4.275 . 0 0 "[ . 1 . 2]" 1
998 1 60 ARG H 1 60 ARG HB2 . . 3.590 2.712 2.287 3.290 . 0 0 "[ . 1 . 2]" 1
999 1 60 ARG H 1 60 ARG QB . . 3.100 2.280 2.183 2.404 . 0 0 "[ . 1 . 2]" 1
1000 1 60 ARG H 1 60 ARG HB3 . . 3.590 2.918 2.239 3.584 . 0 0 "[ . 1 . 2]" 1
1001 1 60 ARG H 1 60 ARG HG2 . . 4.600 4.217 4.000 4.530 . 0 0 "[ . 1 . 2]" 1
1002 1 60 ARG H 1 60 ARG QG . . 3.830 3.584 3.215 3.914 0.084 7 0 "[ . 1 . 2]" 1
1003 1 60 ARG H 1 60 ARG HG3 . . 4.600 4.012 3.324 4.595 . 0 0 "[ . 1 . 2]" 1
1004 1 60 ARG H 1 61 PHE H . . 4.560 4.412 4.310 4.495 . 0 0 "[ . 1 . 2]" 1
1005 1 60 ARG HA 1 60 ARG QD . . 5.100 4.001 3.847 4.312 . 0 0 "[ . 1 . 2]" 1
1006 1 60 ARG HA 1 60 ARG HG2 . . 3.870 2.921 2.274 3.647 . 0 0 "[ . 1 . 2]" 1
1007 1 60 ARG HA 1 60 ARG QG . . 3.400 2.450 2.204 2.722 . 0 0 "[ . 1 . 2]" 1
1008 1 60 ARG HA 1 60 ARG HG3 . . 3.870 2.784 2.588 2.956 . 0 0 "[ . 1 . 2]" 1
1009 1 60 ARG HA 1 61 PHE H . . 2.810 2.146 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
1010 1 60 ARG HA 1 61 PHE QB . . 5.500 4.380 4.272 4.488 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ARG HA 1 61 PHE QD . . 4.580 4.217 3.746 4.389 . 0 0 "[ . 1 . 2]" 1
1012 1 60 ARG QB 1 60 ARG QD . . 3.170 2.200 2.066 2.525 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ARG QB 1 61 PHE H . . 3.810 3.542 3.225 3.775 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ARG HB2 1 61 PHE H . . 4.430 4.253 4.000 4.444 0.014 20 0 "[ . 1 . 2]" 1
1015 1 60 ARG HB3 1 61 PHE H . . 4.430 3.915 3.322 4.443 0.013 13 0 "[ . 1 . 2]" 1
1016 1 60 ARG QG 1 61 PHE H . . 3.730 3.234 2.673 3.737 0.007 11 0 "[ . 1 . 2]" 1
1017 1 61 PHE H 1 61 PHE QB . . 3.800 3.206 3.143 3.263 . 0 0 "[ . 1 . 2]" 1
1018 1 61 PHE H 1 61 PHE QD . . 3.620 3.386 3.196 3.462 . 0 0 "[ . 1 . 2]" 1
1019 1 61 PHE H 1 62 VAL H . . 4.580 4.371 4.333 4.390 . 0 0 "[ . 1 . 2]" 1
1020 1 61 PHE HA 1 62 VAL H . . 3.150 2.384 2.293 2.459 . 0 0 "[ . 1 . 2]" 1
1021 1 61 PHE HA 1 62 VAL MG2 . . 4.680 3.362 3.222 3.584 . 0 0 "[ . 1 . 2]" 1
1022 1 61 PHE QB 1 62 VAL H . . 3.120 2.474 2.300 2.684 . 0 0 "[ . 1 . 2]" 1
1023 1 61 PHE QD 1 62 VAL H . . 3.940 3.116 2.648 3.436 . 0 0 "[ . 1 . 2]" 1
1024 1 61 PHE QD 1 63 PRO HD2 . . 4.830 3.781 3.465 4.197 . 0 0 "[ . 1 . 2]" 1
1025 1 61 PHE QD 1 63 PRO HG3 . . 4.540 4.206 3.901 4.543 0.003 18 0 "[ . 1 . 2]" 1
1026 1 61 PHE QD 1 71 VAL MG2 . . 5.070 4.083 3.726 4.454 . 0 0 "[ . 1 . 2]" 1
1027 1 61 PHE QE 1 63 PRO HA . . 4.440 3.651 3.162 4.298 . 0 0 "[ . 1 . 2]" 1
1028 1 61 PHE QE 1 63 PRO HB2 . . 5.150 4.020 3.644 4.757 . 0 0 "[ . 1 . 2]" 1
1029 1 61 PHE QE 1 63 PRO HB3 . . 4.180 2.313 1.997 3.028 . 0 0 "[ . 1 . 2]" 1
1030 1 61 PHE QE 1 63 PRO HG2 . . 5.500 4.436 3.935 5.225 . 0 0 "[ . 1 . 2]" 1
1031 1 61 PHE QE 1 63 PRO HG3 . . 4.410 3.090 2.540 3.801 . 0 0 "[ . 1 . 2]" 1
1032 1 61 PHE QE 1 71 VAL MG2 . . 4.170 2.691 2.359 3.294 . 0 0 "[ . 1 . 2]" 1
1033 1 61 PHE QE 1 87 PHE QE . . 4.370 2.894 2.585 3.183 . 0 0 "[ . 1 . 2]" 1
1034 1 61 PHE QE 1 87 PHE HZ . . 4.720 2.249 2.000 2.651 . 0 0 "[ . 1 . 2]" 1
1035 1 61 PHE HZ 1 71 VAL MG2 . . 4.630 3.345 2.767 4.062 . 0 0 "[ . 1 . 2]" 1
1036 1 61 PHE HZ 1 87 PHE QD . . 4.670 3.869 3.630 4.038 . 0 0 "[ . 1 . 2]" 1
1037 1 61 PHE HZ 1 87 PHE QE . . 4.680 2.549 2.055 2.980 . 0 0 "[ . 1 . 2]" 1
1038 1 61 PHE HZ 1 87 PHE HZ . . 4.760 2.571 2.149 3.479 . 0 0 "[ . 1 . 2]" 1
1039 1 62 VAL H 1 62 VAL HB . . 3.120 2.621 2.467 2.727 . 0 0 "[ . 1 . 2]" 1
1040 1 62 VAL H 1 62 VAL MG1 . . 3.930 3.841 3.762 3.890 . 0 0 "[ . 1 . 2]" 1
1041 1 62 VAL H 1 62 VAL MG2 . . 3.330 2.568 2.368 2.773 . 0 0 "[ . 1 . 2]" 1
1042 1 62 VAL H 1 63 PRO HD2 . . 4.840 4.628 4.544 4.715 . 0 0 "[ . 1 . 2]" 1
1043 1 62 VAL H 1 63 PRO HD3 . . 5.080 4.247 4.082 4.421 . 0 0 "[ . 1 . 2]" 1
1044 1 62 VAL HA 1 62 VAL MG1 . . 3.680 2.317 2.193 2.445 . 0 0 "[ . 1 . 2]" 1
1045 1 62 VAL HA 1 62 VAL MG2 . . 3.630 2.408 2.308 2.499 . 0 0 "[ . 1 . 2]" 1
1046 1 62 VAL HA 1 63 PRO HD3 . . 3.830 2.465 2.373 2.535 . 0 0 "[ . 1 . 2]" 1
1047 1 62 VAL HA 1 63 PRO HG3 . . 5.230 4.366 4.328 4.400 . 0 0 "[ . 1 . 2]" 1
1048 1 62 VAL HB 1 63 PRO HD2 . . 4.570 4.544 4.441 4.604 0.034 12 0 "[ . 1 . 2]" 1
1049 1 62 VAL HB 1 64 GLN HE22 . . 5.500 5.305 5.018 5.499 . 0 0 "[ . 1 . 2]" 1
1050 1 62 VAL MG1 1 63 PRO HD2 . . 4.250 2.745 2.384 2.933 . 0 0 "[ . 1 . 2]" 1
1051 1 62 VAL MG1 1 63 PRO HD3 . . 4.080 3.979 3.744 4.084 0.004 5 0 "[ . 1 . 2]" 1
1052 1 62 VAL MG1 1 64 GLN HE21 . . 4.090 3.426 2.946 3.874 . 0 0 "[ . 1 . 2]" 1
1053 1 62 VAL MG1 1 64 GLN HE22 . . 4.540 3.744 3.289 4.133 . 0 0 "[ . 1 . 2]" 1
1054 1 62 VAL MG2 1 63 PRO HD2 . . 4.770 3.853 3.652 4.003 . 0 0 "[ . 1 . 2]" 1
1055 1 62 VAL MG2 1 63 PRO HD3 . . 4.570 4.421 4.316 4.477 . 0 0 "[ . 1 . 2]" 1
1056 1 63 PRO HA 1 64 GLN H . . 3.030 2.527 2.390 2.635 . 0 0 "[ . 1 . 2]" 1
1057 1 63 PRO HA 1 89 VAL MG2 . . 4.070 3.803 3.417 4.069 . 0 0 "[ . 1 . 2]" 1
1058 1 63 PRO HB2 1 69 HIS HE1 . . 4.370 3.576 3.319 3.853 . 0 0 "[ . 1 . 2]" 1
1059 1 63 PRO HB2 1 87 PHE QE . . 4.700 3.379 3.140 3.582 . 0 0 "[ . 1 . 2]" 1
1060 1 63 PRO HB2 1 89 VAL MG1 . . 3.490 2.546 1.981 2.944 . 0 0 "[ . 1 . 2]" 1
1061 1 63 PRO HB2 1 89 VAL MG2 . . 3.500 1.928 1.812 2.061 . 0 0 "[ . 1 . 2]" 1
1062 1 63 PRO HB3 1 64 GLN H . . 4.300 3.314 3.211 3.468 . 0 0 "[ . 1 . 2]" 1
1063 1 63 PRO HB3 1 69 HIS HE1 . . 4.650 4.439 4.255 4.614 . 0 0 "[ . 1 . 2]" 1
1064 1 63 PRO HB3 1 89 VAL MG2 . . 3.690 2.546 2.223 2.752 . 0 0 "[ . 1 . 2]" 1
1065 1 63 PRO HG2 1 89 VAL MG1 . . 3.740 2.889 2.690 3.152 . 0 0 "[ . 1 . 2]" 1
1066 1 63 PRO HG2 1 89 VAL MG2 . . 3.950 3.330 2.830 3.640 . 0 0 "[ . 1 . 2]" 1
1067 1 63 PRO HG3 1 89 VAL MG1 . . 3.740 3.376 2.941 3.740 0.000 8 0 "[ . 1 . 2]" 1
1068 1 63 PRO HG3 1 89 VAL MG2 . . 3.580 3.022 2.627 3.294 . 0 0 "[ . 1 . 2]" 1
1069 1 64 GLN H 1 64 GLN HB2 . . 3.590 2.447 2.334 2.529 . 0 0 "[ . 1 . 2]" 1
1070 1 64 GLN H 1 64 GLN QG . . 3.770 2.986 2.744 3.138 . 0 0 "[ . 1 . 2]" 1
1071 1 64 GLN HA 1 64 GLN HE21 . . 5.310 2.261 2.090 2.500 . 0 0 "[ . 1 . 2]" 1
1072 1 64 GLN HA 1 64 GLN QG . . 3.600 2.846 2.801 2.902 . 0 0 "[ . 1 . 2]" 1
1073 1 64 GLN HA 1 65 GLU H . . 3.450 2.502 2.468 2.509 . 0 0 "[ . 1 . 2]" 1
1074 1 64 GLN HB2 1 64 GLN HE21 . . 4.370 3.977 3.852 4.095 . 0 0 "[ . 1 . 2]" 1
1075 1 64 GLN HB2 1 65 GLU H . . 3.610 3.558 3.464 3.609 . 0 0 "[ . 1 . 2]" 1
1076 1 64 GLN HB2 1 69 HIS HD1 . . 5.500 4.659 4.440 4.919 . 0 0 "[ . 1 . 2]" 1
1077 1 64 GLN HB2 1 69 HIS HD2 . . 5.500 4.615 4.453 4.763 . 0 0 "[ . 1 . 2]" 1
1078 1 64 GLN HB2 1 69 HIS HE1 . . 4.090 2.283 2.042 2.571 . 0 0 "[ . 1 . 2]" 1
1079 1 64 GLN HB3 1 64 GLN HE21 . . 4.040 3.868 3.725 4.018 . 0 0 "[ . 1 . 2]" 1
1080 1 64 GLN HB3 1 64 GLN HE22 . . 4.520 4.380 4.259 4.505 . 0 0 "[ . 1 . 2]" 1
1081 1 64 GLN HB3 1 65 GLU H . . 4.060 2.211 2.196 2.280 . 0 0 "[ . 1 . 2]" 1
1082 1 64 GLN HB3 1 69 HIS HE1 . . 3.880 3.809 3.570 3.882 0.002 11 0 "[ . 1 . 2]" 1
1083 1 65 GLU H 1 65 GLU HB2 . . 4.090 3.568 2.734 3.665 . 0 0 "[ . 1 . 2]" 1
1084 1 65 GLU H 1 65 GLU HB3 . . 3.850 2.714 2.344 3.618 . 0 0 "[ . 1 . 2]" 1
1085 1 65 GLU H 1 65 GLU HG2 . . 4.300 2.473 1.900 3.721 . 0 0 "[ . 1 . 2]" 1
1086 1 65 GLU H 1 65 GLU HG3 . . 4.300 3.287 1.898 3.875 . 0 0 "[ . 1 . 2]" 1
1087 1 65 GLU H 1 66 MET H . . 4.620 4.542 4.462 4.606 . 0 0 "[ . 1 . 2]" 1
1088 1 65 GLU H 1 66 MET ME . . 5.000 4.868 4.532 4.987 . 0 0 "[ . 1 . 2]" 1
1089 1 65 GLU H 1 89 VAL MG1 . . 4.980 4.684 4.453 4.840 . 0 0 "[ . 1 . 2]" 1
1090 1 65 GLU HA 1 66 MET H . . 2.850 2.180 2.141 2.282 . 0 0 "[ . 1 . 2]" 1
1091 1 65 GLU HA 1 67 GLY H . . 4.070 3.909 3.663 4.064 . 0 0 "[ . 1 . 2]" 1
1092 1 65 GLU HA 1 89 VAL HB . . 5.460 3.969 3.547 4.323 . 0 0 "[ . 1 . 2]" 1
1093 1 65 GLU HA 1 89 VAL MG1 . . 4.470 2.987 2.517 3.251 . 0 0 "[ . 1 . 2]" 1
1094 1 65 GLU HB2 1 66 MET H . . 3.600 3.220 2.839 3.608 0.008 13 0 "[ . 1 . 2]" 1
1095 1 65 GLU HB3 1 66 MET H . . 4.410 4.108 2.817 4.351 . 0 0 "[ . 1 . 2]" 1
1096 1 65 GLU QG 1 66 MET H . . 4.800 4.013 3.391 4.504 . 0 0 "[ . 1 . 2]" 1
1097 1 66 MET H 1 66 MET HB2 . . 4.130 3.522 3.155 3.770 . 0 0 "[ . 1 . 2]" 1
1098 1 66 MET H 1 66 MET QB . . 3.510 3.279 3.039 3.417 . 0 0 "[ . 1 . 2]" 1
1099 1 66 MET H 1 66 MET HB3 . . 4.130 3.942 3.747 4.043 . 0 0 "[ . 1 . 2]" 1
1100 1 66 MET H 1 66 MET ME . . 4.560 2.064 1.847 2.538 . 0 0 "[ . 1 . 2]" 1
1101 1 66 MET H 1 66 MET QG . . 3.510 2.880 2.439 3.551 0.041 4 0 "[ . 1 . 2]" 1
1102 1 66 MET H 1 67 GLY H . . 4.460 2.958 2.775 3.145 . 0 0 "[ . 1 . 2]" 1
1103 1 66 MET H 1 89 VAL HB . . 3.750 3.589 3.361 3.745 . 0 0 "[ . 1 . 2]" 1
1104 1 66 MET HA 1 66 MET HG2 . . 4.040 3.505 3.336 3.675 . 0 0 "[ . 1 . 2]" 1
1105 1 66 MET HA 1 66 MET HG3 . . 4.040 2.934 2.321 3.962 . 0 0 "[ . 1 . 2]" 1
1106 1 66 MET HA 1 67 GLY H . . 2.990 2.704 2.636 2.869 . 0 0 "[ . 1 . 2]" 1
1107 1 66 MET HA 1 89 VAL HB . . 4.270 4.113 3.813 4.266 . 0 0 "[ . 1 . 2]" 1
1108 1 66 MET HA 1 89 VAL MG2 . . 5.500 5.379 5.200 5.496 . 0 0 "[ . 1 . 2]" 1
1109 1 66 MET QB 1 67 GLY H . . 4.020 3.895 3.842 3.914 . 0 0 "[ . 1 . 2]" 1
1110 1 66 MET QB 1 67 GLY HA2 . . 5.050 4.306 4.255 4.365 . 0 0 "[ . 1 . 2]" 1
1111 1 66 MET HB2 1 67 GLY H . . 4.750 4.304 4.148 4.423 . 0 0 "[ . 1 . 2]" 1
1112 1 66 MET HB3 1 67 GLY H . . 4.750 4.454 4.350 4.570 . 0 0 "[ . 1 . 2]" 1
1113 1 66 MET ME 1 89 VAL MG1 . . 4.240 3.769 3.416 4.238 . 0 0 "[ . 1 . 2]" 1
1114 1 67 GLY H 1 68 VAL H . . 4.670 4.277 4.108 4.382 . 0 0 "[ . 1 . 2]" 1
1115 1 67 GLY H 1 68 VAL HA . . 5.080 4.732 4.600 4.898 . 0 0 "[ . 1 . 2]" 1
1116 1 67 GLY H 1 69 HIS HD1 . . 5.090 4.653 4.465 4.823 . 0 0 "[ . 1 . 2]" 1
1117 1 67 GLY H 1 69 HIS HE1 . . 4.450 3.476 3.280 3.829 . 0 0 "[ . 1 . 2]" 1
1118 1 67 GLY H 1 88 THR MG . . 4.570 4.182 3.993 4.470 . 0 0 "[ . 1 . 2]" 1
1119 1 67 GLY H 1 89 VAL HB . . 3.300 2.474 2.163 2.630 . 0 0 "[ . 1 . 2]" 1
1120 1 67 GLY HA2 1 68 VAL H . . 3.290 2.154 2.139 2.201 . 0 0 "[ . 1 . 2]" 1
1121 1 67 GLY HA2 1 68 VAL HB . . 5.500 4.679 4.611 4.840 . 0 0 "[ . 1 . 2]" 1
1122 1 67 GLY HA2 1 88 THR MG . . 4.920 4.775 4.623 4.911 . 0 0 "[ . 1 . 2]" 1
1123 1 68 VAL H 1 68 VAL HB . . 2.990 2.557 2.485 2.709 . 0 0 "[ . 1 . 2]" 1
1124 1 68 VAL H 1 68 VAL MG1 . . 3.890 3.797 3.776 3.828 . 0 0 "[ . 1 . 2]" 1
1125 1 68 VAL H 1 68 VAL MG2 . . 3.060 2.369 2.107 2.631 . 0 0 "[ . 1 . 2]" 1
1126 1 68 VAL H 1 69 HIS H . . 4.410 4.378 4.315 4.410 . 0 0 "[ . 1 . 2]" 1
1127 1 68 VAL HA 1 68 VAL MG1 . . 3.410 2.355 2.191 2.456 . 0 0 "[ . 1 . 2]" 1
1128 1 68 VAL HA 1 68 VAL MG2 . . 3.300 2.387 2.280 2.508 . 0 0 "[ . 1 . 2]" 1
1129 1 68 VAL HA 1 69 HIS H . . 2.870 2.144 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
1130 1 68 VAL HA 1 69 HIS HD1 . . 4.940 2.898 2.709 3.089 . 0 0 "[ . 1 . 2]" 1
1131 1 68 VAL HA 1 87 PHE H . . 4.870 4.806 4.601 4.873 0.003 11 0 "[ . 1 . 2]" 1
1132 1 68 VAL HA 1 88 THR HA . . 3.530 2.320 2.124 2.478 . 0 0 "[ . 1 . 2]" 1
1133 1 68 VAL HA 1 89 VAL H . . 3.810 3.090 2.826 3.262 . 0 0 "[ . 1 . 2]" 1
1134 1 68 VAL HA 1 89 VAL HB . . 4.970 4.865 4.634 4.967 . 0 0 "[ . 1 . 2]" 1
1135 1 68 VAL HA 1 89 VAL MG2 . . 4.440 3.656 3.087 4.165 . 0 0 "[ . 1 . 2]" 1
1136 1 68 VAL HB 1 69 HIS H . . 4.390 4.289 4.159 4.391 0.001 13 0 "[ . 1 . 2]" 1
1137 1 68 VAL MG1 1 69 HIS H . . 3.550 2.816 2.649 3.036 . 0 0 "[ . 1 . 2]" 1
1138 1 68 VAL MG1 1 86 GLN HA . . 4.430 4.186 3.969 4.370 . 0 0 "[ . 1 . 2]" 1
1139 1 68 VAL MG1 1 86 GLN HE21 . . 4.460 3.861 2.832 4.280 . 0 0 "[ . 1 . 2]" 1
1140 1 68 VAL MG1 1 86 GLN QE . . 3.890 3.417 2.635 3.722 . 0 0 "[ . 1 . 2]" 1
1141 1 68 VAL MG1 1 86 GLN HE22 . . 4.460 3.827 3.136 4.143 . 0 0 "[ . 1 . 2]" 1
1142 1 68 VAL MG1 1 86 GLN HG2 . . 3.850 2.379 2.106 2.545 . 0 0 "[ . 1 . 2]" 1
1143 1 68 VAL MG1 1 86 GLN HG3 . . 3.850 3.168 2.901 3.366 . 0 0 "[ . 1 . 2]" 1
1144 1 68 VAL MG1 1 87 PHE H . . 3.830 3.172 2.922 3.483 . 0 0 "[ . 1 . 2]" 1
1145 1 68 VAL MG1 1 88 THR HA . . 4.690 2.817 2.210 3.129 . 0 0 "[ . 1 . 2]" 1
1146 1 68 VAL MG2 1 69 HIS H . . 4.270 4.154 4.076 4.255 . 0 0 "[ . 1 . 2]" 1
1147 1 68 VAL MG2 1 88 THR HA . . 3.980 2.594 2.191 2.981 . 0 0 "[ . 1 . 2]" 1
1148 1 68 VAL MG2 1 89 VAL H . . 5.020 3.458 3.250 3.697 . 0 0 "[ . 1 . 2]" 1
1149 1 69 HIS H 1 69 HIS HB2 . . 3.880 2.652 2.594 2.717 . 0 0 "[ . 1 . 2]" 1
1150 1 69 HIS H 1 69 HIS HB3 . . 3.770 3.718 3.680 3.739 . 0 0 "[ . 1 . 2]" 1
1151 1 69 HIS H 1 69 HIS HD1 . . 3.830 1.948 1.831 2.133 . 0 0 "[ . 1 . 2]" 1
1152 1 69 HIS H 1 70 THR H . . 4.750 4.521 4.483 4.569 . 0 0 "[ . 1 . 2]" 1
1153 1 69 HIS H 1 87 PHE H . . 3.890 3.823 3.653 3.885 . 0 0 "[ . 1 . 2]" 1
1154 1 69 HIS H 1 88 THR HA . . 3.750 3.562 3.325 3.729 . 0 0 "[ . 1 . 2]" 1
1155 1 69 HIS H 1 89 VAL H . . 4.710 4.265 3.859 4.450 . 0 0 "[ . 1 . 2]" 1
1156 1 69 HIS H 1 89 VAL MG2 . . 4.760 3.504 3.145 3.894 . 0 0 "[ . 1 . 2]" 1
1157 1 69 HIS HA 1 69 HIS HD1 . . 5.240 3.674 3.525 3.815 . 0 0 "[ . 1 . 2]" 1
1158 1 69 HIS HA 1 70 THR H . . 3.050 2.445 2.317 2.568 . 0 0 "[ . 1 . 2]" 1
1159 1 69 HIS HA 1 70 THR HB . . 5.250 4.855 4.691 4.977 . 0 0 "[ . 1 . 2]" 1
1160 1 69 HIS HB2 1 70 THR H . . 3.650 3.381 3.121 3.651 0.001 13 0 "[ . 1 . 2]" 1
1161 1 69 HIS HB3 1 70 THR H . . 4.030 2.413 2.184 2.679 . 0 0 "[ . 1 . 2]" 1
1162 1 69 HIS HD1 1 89 VAL H . . 4.250 3.923 3.621 4.095 . 0 0 "[ . 1 . 2]" 1
1163 1 69 HIS HD1 1 89 VAL HB . . 4.720 4.205 3.868 4.565 . 0 0 "[ . 1 . 2]" 1
1164 1 69 HIS HD1 1 89 VAL MG2 . . 4.300 2.488 2.127 2.809 . 0 0 "[ . 1 . 2]" 1
1165 1 69 HIS HE1 1 89 VAL H . . 4.820 4.680 4.405 4.812 . 0 0 "[ . 1 . 2]" 1
1166 1 69 HIS HE1 1 89 VAL HB . . 3.960 3.545 3.278 3.727 . 0 0 "[ . 1 . 2]" 1
1167 1 69 HIS HE1 1 89 VAL MG1 . . 4.430 4.136 3.945 4.375 . 0 0 "[ . 1 . 2]" 1
1168 1 69 HIS HE1 1 89 VAL MG2 . . 3.980 2.523 2.165 3.049 . 0 0 "[ . 1 . 2]" 1
1169 1 70 THR H 1 70 THR HB . . 3.450 2.938 2.773 3.087 . 0 0 "[ . 1 . 2]" 1
1170 1 70 THR H 1 70 THR MG . . 4.470 3.957 3.907 4.002 . 0 0 "[ . 1 . 2]" 1
1171 1 70 THR H 1 71 VAL H . . 4.760 4.272 4.138 4.363 . 0 0 "[ . 1 . 2]" 1
1172 1 70 THR H 1 86 GLN HA . . 5.310 5.008 4.887 5.117 . 0 0 "[ . 1 . 2]" 1
1173 1 70 THR HA 1 70 THR MG . . 3.330 2.262 2.167 2.372 . 0 0 "[ . 1 . 2]" 1
1174 1 70 THR HA 1 71 VAL H . . 2.830 2.155 2.141 2.187 . 0 0 "[ . 1 . 2]" 1
1175 1 70 THR HA 1 71 VAL HB . . 5.050 4.700 4.615 4.803 . 0 0 "[ . 1 . 2]" 1
1176 1 70 THR HA 1 71 VAL MG2 . . 4.380 3.625 3.371 3.769 . 0 0 "[ . 1 . 2]" 1
1177 1 70 THR HA 1 86 GLN HA . . 3.460 2.302 2.172 2.470 . 0 0 "[ . 1 . 2]" 1
1178 1 70 THR HA 1 86 GLN QB . . 5.140 4.058 3.660 4.239 . 0 0 "[ . 1 . 2]" 1
1179 1 70 THR HA 1 86 GLN HG2 . . 4.530 3.971 3.510 4.397 . 0 0 "[ . 1 . 2]" 1
1180 1 70 THR HA 1 86 GLN QG . . 3.960 3.258 2.724 3.550 . 0 0 "[ . 1 . 2]" 1
1181 1 70 THR HA 1 86 GLN HG3 . . 4.530 3.486 2.791 3.909 . 0 0 "[ . 1 . 2]" 1
1182 1 70 THR HA 1 87 PHE H . . 3.800 3.404 3.146 3.644 . 0 0 "[ . 1 . 2]" 1
1183 1 70 THR HB 1 71 VAL H . . 4.130 4.004 3.852 4.129 . 0 0 "[ . 1 . 2]" 1
1184 1 70 THR HB 1 71 VAL HA . . 5.500 4.787 4.689 4.912 . 0 0 "[ . 1 . 2]" 1
1185 1 70 THR HB 1 84 PRO HB2 . . 4.440 4.220 3.978 4.390 . 0 0 "[ . 1 . 2]" 1
1186 1 70 THR MG 1 71 VAL H . . 3.610 2.534 2.262 2.807 . 0 0 "[ . 1 . 2]" 1
1187 1 70 THR MG 1 72 SER H . . 5.160 4.372 3.983 4.663 . 0 0 "[ . 1 . 2]" 1
1188 1 70 THR MG 1 84 PRO HB2 . . 3.070 1.971 1.848 2.043 . 0 0 "[ . 1 . 2]" 1
1189 1 70 THR MG 1 84 PRO HB3 . . 3.530 3.067 2.931 3.237 . 0 0 "[ . 1 . 2]" 1
1190 1 70 THR MG 1 84 PRO QG . . 3.920 2.921 2.747 3.173 . 0 0 "[ . 1 . 2]" 1
1191 1 70 THR MG 1 85 PHE H . . 4.410 3.392 2.884 3.835 . 0 0 "[ . 1 . 2]" 1
1192 1 70 THR MG 1 86 GLN HA . . 4.220 2.754 2.101 3.136 . 0 0 "[ . 1 . 2]" 1
1193 1 70 THR MG 1 86 GLN HB2 . . 4.420 2.771 2.437 3.030 . 0 0 "[ . 1 . 2]" 1
1194 1 70 THR MG 1 86 GLN QB . . 3.810 2.732 2.410 2.973 . 0 0 "[ . 1 . 2]" 1
1195 1 70 THR MG 1 86 GLN HB3 . . 4.420 4.166 3.793 4.394 . 0 0 "[ . 1 . 2]" 1
1196 1 70 THR MG 1 86 GLN QE . . 4.130 3.637 3.201 4.107 . 0 0 "[ . 1 . 2]" 1
1197 1 70 THR MG 1 86 GLN HG2 . . 4.160 3.909 3.575 4.142 . 0 0 "[ . 1 . 2]" 1
1198 1 70 THR MG 1 86 GLN HG3 . . 4.160 2.658 2.354 2.989 . 0 0 "[ . 1 . 2]" 1
1199 1 71 VAL H 1 71 VAL HB . . 3.540 2.579 2.497 2.671 . 0 0 "[ . 1 . 2]" 1
1200 1 71 VAL H 1 71 VAL MG1 . . 4.160 3.806 3.786 3.844 . 0 0 "[ . 1 . 2]" 1
1201 1 71 VAL H 1 71 VAL MG2 . . 3.360 2.418 2.263 2.591 . 0 0 "[ . 1 . 2]" 1
1202 1 71 VAL H 1 72 SER H . . 4.490 4.283 4.227 4.351 . 0 0 "[ . 1 . 2]" 1
1203 1 71 VAL H 1 84 PRO HB2 . . 4.360 4.082 3.590 4.335 . 0 0 "[ . 1 . 2]" 1
1204 1 71 VAL H 1 84 PRO HB3 . . 5.380 5.138 4.757 5.338 . 0 0 "[ . 1 . 2]" 1
1205 1 71 VAL H 1 85 PHE H . . 3.630 3.256 2.978 3.631 0.001 11 0 "[ . 1 . 2]" 1
1206 1 71 VAL H 1 85 PHE HB2 . . 4.380 3.549 3.342 3.834 . 0 0 "[ . 1 . 2]" 1
1207 1 71 VAL H 1 85 PHE HB3 . . 5.060 4.655 4.458 4.869 . 0 0 "[ . 1 . 2]" 1
1208 1 71 VAL H 1 85 PHE QD . . 5.050 4.851 4.527 5.035 . 0 0 "[ . 1 . 2]" 1
1209 1 71 VAL H 1 86 GLN H . . 5.000 4.715 4.424 4.844 . 0 0 "[ . 1 . 2]" 1
1210 1 71 VAL H 1 86 GLN HA . . 4.040 3.314 2.987 3.496 . 0 0 "[ . 1 . 2]" 1
1211 1 71 VAL H 1 87 PHE H . . 5.010 4.606 4.427 4.724 . 0 0 "[ . 1 . 2]" 1
1212 1 71 VAL HA 1 72 SER H . . 3.040 2.161 2.144 2.171 . 0 0 "[ . 1 . 2]" 1
1213 1 71 VAL HB 1 72 SER H . . 4.670 4.346 4.290 4.395 . 0 0 "[ . 1 . 2]" 1
1214 1 71 VAL HB 1 85 PHE H . . 4.170 2.859 2.643 3.163 . 0 0 "[ . 1 . 2]" 1
1215 1 71 VAL HB 1 85 PHE HB2 . . 3.910 2.183 2.035 2.360 . 0 0 "[ . 1 . 2]" 1
1216 1 71 VAL HB 1 85 PHE HB3 . . 4.140 3.856 3.645 4.015 . 0 0 "[ . 1 . 2]" 1
1217 1 71 VAL HB 1 85 PHE QD . . 4.110 2.949 2.637 3.277 . 0 0 "[ . 1 . 2]" 1
1218 1 71 VAL HB 1 87 PHE QD . . 4.850 4.344 4.126 4.606 . 0 0 "[ . 1 . 2]" 1
1219 1 71 VAL MG1 1 72 SER H . . 3.410 3.025 2.730 3.173 . 0 0 "[ . 1 . 2]" 1
1220 1 71 VAL MG1 1 73 VAL MG2 . . 3.050 1.999 1.866 2.142 . 0 0 "[ . 1 . 2]" 1
1221 1 71 VAL MG1 1 85 PHE H . . 4.140 3.861 3.562 4.140 . 0 0 "[ . 1 . 2]" 1
1222 1 71 VAL MG1 1 85 PHE HB2 . . 4.160 3.511 3.266 3.654 . 0 0 "[ . 1 . 2]" 1
1223 1 71 VAL MG1 1 85 PHE HB3 . . 5.120 4.913 4.675 5.078 . 0 0 "[ . 1 . 2]" 1
1224 1 71 VAL MG1 1 85 PHE QD . . 3.790 3.045 2.669 3.367 . 0 0 "[ . 1 . 2]" 1
1225 1 71 VAL MG2 1 85 PHE H . . 5.060 4.207 3.902 4.562 . 0 0 "[ . 1 . 2]" 1
1226 1 71 VAL MG2 1 85 PHE HB2 . . 4.190 3.108 2.849 3.422 . 0 0 "[ . 1 . 2]" 1
1227 1 71 VAL MG2 1 85 PHE HB3 . . 4.470 4.055 3.702 4.348 . 0 0 "[ . 1 . 2]" 1
1228 1 71 VAL MG2 1 87 PHE HB2 . . 5.500 5.450 5.330 5.497 . 0 0 "[ . 1 . 2]" 1
1229 1 71 VAL MG2 1 87 PHE HB3 . . 4.600 4.348 4.203 4.418 . 0 0 "[ . 1 . 2]" 1
1230 1 71 VAL MG2 1 87 PHE QD . . 3.690 2.385 2.230 2.550 . 0 0 "[ . 1 . 2]" 1
1231 1 71 VAL MG2 1 87 PHE QE . . 3.570 1.935 1.840 2.104 . 0 0 "[ . 1 . 2]" 1
1232 1 71 VAL MG2 1 87 PHE HZ . . 4.430 3.803 3.665 4.014 . 0 0 "[ . 1 . 2]" 1
1233 1 72 SER H 1 72 SER HB2 . . 3.750 2.752 2.359 3.648 . 0 0 "[ . 1 . 2]" 1
1234 1 72 SER H 1 72 SER QB . . 3.190 2.479 2.221 2.925 . 0 0 "[ . 1 . 2]" 1
1235 1 72 SER H 1 72 SER HB3 . . 3.750 3.282 2.281 3.704 . 0 0 "[ . 1 . 2]" 1
1236 1 72 SER H 1 73 VAL H . . 4.750 4.292 4.079 4.432 . 0 0 "[ . 1 . 2]" 1
1237 1 72 SER H 1 73 VAL MG2 . . 4.790 3.990 3.893 4.123 . 0 0 "[ . 1 . 2]" 1
1238 1 72 SER HA 1 73 VAL H . . 3.010 2.160 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
1239 1 72 SER HA 1 73 VAL MG2 . . 4.970 3.767 3.553 4.088 . 0 0 "[ . 1 . 2]" 1
1240 1 72 SER HA 1 79 HIS HE1 . . 4.470 3.319 2.922 3.927 . 0 0 "[ . 1 . 2]" 1
1241 1 72 SER HA 1 83 SER HG . . 4.660 3.945 3.468 4.494 . 0 0 "[ . 1 . 2]" 1
1242 1 72 SER HA 1 84 PRO HA . . 3.870 2.840 2.503 3.085 . 0 0 "[ . 1 . 2]" 1
1243 1 72 SER HA 1 84 PRO HB2 . . 4.840 3.661 3.505 3.850 . 0 0 "[ . 1 . 2]" 1
1244 1 72 SER HA 1 84 PRO HB3 . . 4.600 2.453 2.196 2.671 . 0 0 "[ . 1 . 2]" 1
1245 1 72 SER HA 1 85 PHE H . . 4.210 3.908 3.709 4.106 . 0 0 "[ . 1 . 2]" 1
1246 1 72 SER QB 1 73 VAL H . . 4.010 3.598 3.338 3.931 . 0 0 "[ . 1 . 2]" 1
1247 1 72 SER QB 1 73 VAL MG2 . . 4.620 4.500 4.327 4.618 . 0 0 "[ . 1 . 2]" 1
1248 1 72 SER QB 1 79 HIS HE1 . . 3.660 2.756 2.005 3.651 . 0 0 "[ . 1 . 2]" 1
1249 1 72 SER QB 1 84 PRO HB3 . . 3.930 3.576 3.226 3.920 . 0 0 "[ . 1 . 2]" 1
1250 1 72 SER HB2 1 73 VAL H . . 4.760 4.261 3.529 4.587 . 0 0 "[ . 1 . 2]" 1
1251 1 72 SER HB2 1 73 VAL MG2 . . 5.390 5.025 4.752 5.365 . 0 0 "[ . 1 . 2]" 1
1252 1 72 SER HB2 1 79 HIS HE1 . . 4.490 3.895 2.756 4.486 . 0 0 "[ . 1 . 2]" 1
1253 1 72 SER HB3 1 73 VAL H . . 4.760 3.967 3.483 4.538 . 0 0 "[ . 1 . 2]" 1
1254 1 72 SER HB3 1 73 VAL MG2 . . 5.390 5.114 4.765 5.332 . 0 0 "[ . 1 . 2]" 1
1255 1 72 SER HB3 1 79 HIS HE1 . . 4.490 3.109 2.013 4.486 . 0 0 "[ . 1 . 2]" 1
1256 1 73 VAL H 1 73 VAL HB . . 3.720 2.645 2.490 2.758 . 0 0 "[ . 1 . 2]" 1
1257 1 73 VAL H 1 73 VAL MG1 . . 4.480 3.850 3.767 3.900 . 0 0 "[ . 1 . 2]" 1
1258 1 73 VAL H 1 73 VAL MG2 . . 3.600 2.684 2.413 2.881 . 0 0 "[ . 1 . 2]" 1
1259 1 73 VAL H 1 74 LYS H . . 4.820 4.060 3.918 4.222 . 0 0 "[ . 1 . 2]" 1
1260 1 73 VAL H 1 79 HIS HE1 . . 4.830 3.851 3.179 4.668 . 0 0 "[ . 1 . 2]" 1
1261 1 73 VAL H 1 80 VAL H . . 5.210 4.953 4.668 5.190 . 0 0 "[ . 1 . 2]" 1
1262 1 73 VAL H 1 83 SER HA . . 4.810 4.497 4.199 4.753 . 0 0 "[ . 1 . 2]" 1
1263 1 73 VAL H 1 83 SER HB2 . . 4.220 3.001 2.197 3.753 . 0 0 "[ . 1 . 2]" 1
1264 1 73 VAL H 1 83 SER QB . . 3.610 2.880 2.176 3.439 . 0 0 "[ . 1 . 2]" 1
1265 1 73 VAL H 1 83 SER HB3 . . 4.220 3.857 3.518 4.214 . 0 0 "[ . 1 . 2]" 1
1266 1 73 VAL H 1 83 SER HG . . 3.390 2.742 2.243 3.358 . 0 0 "[ . 1 . 2]" 1
1267 1 73 VAL H 1 84 PRO HA . . 4.320 3.025 2.866 3.306 . 0 0 "[ . 1 . 2]" 1
1268 1 73 VAL H 1 85 PHE H . . 5.370 4.277 3.993 4.648 . 0 0 "[ . 1 . 2]" 1
1269 1 73 VAL HA 1 74 LYS H . . 3.050 2.184 2.156 2.202 . 0 0 "[ . 1 . 2]" 1
1270 1 73 VAL HB 1 74 LYS H . . 4.510 4.406 4.349 4.492 . 0 0 "[ . 1 . 2]" 1
1271 1 73 VAL HB 1 80 VAL H . . 4.470 4.179 3.768 4.466 . 0 0 "[ . 1 . 2]" 1
1272 1 73 VAL HB 1 80 VAL MG2 . . 3.200 2.459 2.076 2.817 . 0 0 "[ . 1 . 2]" 1
1273 1 73 VAL HB 1 83 SER HB2 . . 4.220 2.676 2.190 3.236 . 0 0 "[ . 1 . 2]" 1
1274 1 73 VAL HB 1 83 SER HB3 . . 4.220 3.182 2.544 3.979 . 0 0 "[ . 1 . 2]" 1
1275 1 73 VAL HB 1 85 PHE QD . . 4.460 3.871 3.628 4.198 . 0 0 "[ . 1 . 2]" 1
1276 1 73 VAL HB 1 85 PHE QE . . 3.870 3.065 2.466 3.548 . 0 0 "[ . 1 . 2]" 1
1277 1 73 VAL MG1 1 74 LYS H . . 3.420 3.166 2.878 3.322 . 0 0 "[ . 1 . 2]" 1
1278 1 73 VAL MG1 1 80 VAL H . . 4.280 3.977 3.657 4.262 . 0 0 "[ . 1 . 2]" 1
1279 1 73 VAL MG1 1 80 VAL MG2 . . 3.090 2.480 1.947 2.867 . 0 0 "[ . 1 . 2]" 1
1280 1 73 VAL MG2 1 85 PHE QD . . 3.560 2.772 2.320 3.217 . 0 0 "[ . 1 . 2]" 1
1281 1 73 VAL MG2 1 85 PHE QE . . 3.640 2.964 2.154 3.575 . 0 0 "[ . 1 . 2]" 1
1282 1 74 LYS H 1 74 LYS HB2 . . 3.460 2.332 2.276 2.442 . 0 0 "[ . 1 . 2]" 1
1283 1 74 LYS H 1 74 LYS HB3 . . 3.840 3.546 3.511 3.588 . 0 0 "[ . 1 . 2]" 1
1284 1 74 LYS H 1 74 LYS HG2 . . 4.320 4.043 3.890 4.156 . 0 0 "[ . 1 . 2]" 1
1285 1 74 LYS H 1 74 LYS HG3 . . 3.680 3.470 3.328 3.654 . 0 0 "[ . 1 . 2]" 1
1286 1 74 LYS H 1 75 TYR H . . 4.750 4.532 4.477 4.556 . 0 0 "[ . 1 . 2]" 1
1287 1 74 LYS H 1 79 HIS HA . . 5.080 4.900 4.673 5.084 0.004 13 0 "[ . 1 . 2]" 1
1288 1 74 LYS HA 1 74 LYS HD2 . . 5.100 4.354 3.908 4.686 . 0 0 "[ . 1 . 2]" 1
1289 1 74 LYS HA 1 74 LYS HD3 . . 5.100 4.208 3.907 4.625 . 0 0 "[ . 1 . 2]" 1
1290 1 74 LYS HA 1 74 LYS HG2 . . 3.920 2.189 2.167 2.249 . 0 0 "[ . 1 . 2]" 1
1291 1 74 LYS HA 1 74 LYS HG3 . . 4.140 3.115 3.013 3.192 . 0 0 "[ . 1 . 2]" 1
1292 1 74 LYS HA 1 75 TYR H . . 2.800 2.315 2.259 2.386 . 0 0 "[ . 1 . 2]" 1
1293 1 74 LYS HA 1 75 TYR HB3 . . 4.810 4.345 4.179 4.607 . 0 0 "[ . 1 . 2]" 1
1294 1 74 LYS HA 1 78 GLN H . . 4.280 3.910 3.774 4.099 . 0 0 "[ . 1 . 2]" 1
1295 1 74 LYS HA 1 79 HIS H . . 4.800 4.402 4.133 4.609 . 0 0 "[ . 1 . 2]" 1
1296 1 74 LYS HA 1 79 HIS HA . . 4.040 2.305 2.044 2.545 . 0 0 "[ . 1 . 2]" 1
1297 1 74 LYS HA 1 80 VAL H . . 3.570 3.119 2.911 3.437 . 0 0 "[ . 1 . 2]" 1
1298 1 74 LYS HA 1 80 VAL MG1 . . 3.800 3.400 3.047 3.741 . 0 0 "[ . 1 . 2]" 1
1299 1 74 LYS HB2 1 74 LYS HD2 . . 4.020 3.124 2.825 3.590 . 0 0 "[ . 1 . 2]" 1
1300 1 74 LYS HB2 1 74 LYS HD3 . . 4.020 3.433 2.954 3.940 . 0 0 "[ . 1 . 2]" 1
1301 1 74 LYS HB2 1 75 TYR H . . 4.150 4.029 3.892 4.144 . 0 0 "[ . 1 . 2]" 1
1302 1 74 LYS HB2 1 77 GLY H . . 5.020 4.701 4.482 4.954 . 0 0 "[ . 1 . 2]" 1
1303 1 74 LYS HB2 1 77 GLY HA2 . . 5.340 4.912 4.696 5.141 . 0 0 "[ . 1 . 2]" 1
1304 1 74 LYS HB2 1 78 GLN H . . 4.850 4.687 4.331 4.849 . 0 0 "[ . 1 . 2]" 1
1305 1 74 LYS HB3 1 74 LYS HD2 . . 3.940 2.742 2.172 3.183 . 0 0 "[ . 1 . 2]" 1
1306 1 74 LYS HB3 1 74 LYS QD . . 3.290 2.219 2.063 2.539 . 0 0 "[ . 1 . 2]" 1
1307 1 74 LYS HB3 1 74 LYS HD3 . . 3.940 2.737 2.094 3.616 . 0 0 "[ . 1 . 2]" 1
1308 1 74 LYS HB3 1 74 LYS HE2 . . 4.910 3.773 2.329 4.487 . 0 0 "[ . 1 . 2]" 1
1309 1 74 LYS HB3 1 74 LYS QE . . 4.270 3.219 2.063 3.935 . 0 0 "[ . 1 . 2]" 1
1310 1 74 LYS HB3 1 74 LYS HE3 . . 4.910 3.673 2.123 4.620 . 0 0 "[ . 1 . 2]" 1
1311 1 74 LYS HB3 1 75 TYR H . . 3.450 2.733 2.530 2.912 . 0 0 "[ . 1 . 2]" 1
1312 1 74 LYS HB3 1 77 GLY H . . 4.180 3.177 2.951 3.416 . 0 0 "[ . 1 . 2]" 1
1313 1 74 LYS HB3 1 77 GLY HA2 . . 4.860 3.498 3.343 3.618 . 0 0 "[ . 1 . 2]" 1
1314 1 74 LYS HB3 1 77 GLY HA3 . . 5.230 5.057 4.914 5.199 . 0 0 "[ . 1 . 2]" 1
1315 1 74 LYS HB3 1 78 GLN H . . 3.540 2.950 2.582 3.138 . 0 0 "[ . 1 . 2]" 1
1316 1 74 LYS QD 1 75 TYR H . . 4.270 3.980 3.747 4.267 . 0 0 "[ . 1 . 2]" 1
1317 1 74 LYS QD 1 77 GLY H . . 4.330 3.814 3.326 4.270 . 0 0 "[ . 1 . 2]" 1
1318 1 74 LYS QD 1 77 GLY HA2 . . 4.040 2.707 2.392 3.080 . 0 0 "[ . 1 . 2]" 1
1319 1 74 LYS QD 1 77 GLY HA3 . . 4.620 4.215 4.023 4.512 . 0 0 "[ . 1 . 2]" 1
1320 1 74 LYS QD 1 78 GLN H . . 3.940 3.105 2.629 3.623 . 0 0 "[ . 1 . 2]" 1
1321 1 74 LYS QD 1 79 HIS H . . 5.340 3.882 3.187 4.856 . 0 0 "[ . 1 . 2]" 1
1322 1 74 LYS HD2 1 77 GLY HA2 . . 4.600 3.549 2.601 4.562 . 0 0 "[ . 1 . 2]" 1
1323 1 74 LYS HD3 1 77 GLY HA2 . . 4.600 3.353 2.414 4.587 . 0 0 "[ . 1 . 2]" 1
1324 1 74 LYS QE 1 74 LYS HG2 . . 3.540 2.665 2.085 3.372 . 0 0 "[ . 1 . 2]" 1
1325 1 74 LYS QE 1 74 LYS HG3 . . 3.440 2.623 2.175 2.855 . 0 0 "[ . 1 . 2]" 1
1326 1 74 LYS QE 1 75 TYR H . . 5.180 4.853 4.455 5.172 . 0 0 "[ . 1 . 2]" 1
1327 1 74 LYS QE 1 78 GLN H . . 4.400 4.174 3.584 4.396 . 0 0 "[ . 1 . 2]" 1
1328 1 74 LYS HE2 1 74 LYS HG2 . . 4.120 3.197 2.121 3.768 . 0 0 "[ . 1 . 2]" 1
1329 1 74 LYS HE3 1 74 LYS HG2 . . 4.120 3.138 2.207 4.180 0.060 16 0 "[ . 1 . 2]" 1
1330 1 74 LYS HG2 1 75 TYR H . . 4.050 3.556 3.476 3.707 . 0 0 "[ . 1 . 2]" 1
1331 1 74 LYS HG2 1 78 GLN H . . 5.040 3.895 3.645 4.140 . 0 0 "[ . 1 . 2]" 1
1332 1 74 LYS HG2 1 79 HIS H . . 4.760 3.340 2.984 3.792 . 0 0 "[ . 1 . 2]" 1
1333 1 74 LYS HG2 1 79 HIS HA . . 3.730 2.304 2.028 2.750 . 0 0 "[ . 1 . 2]" 1
1334 1 74 LYS HG2 1 80 VAL H . . 4.680 4.229 3.951 4.615 . 0 0 "[ . 1 . 2]" 1
1335 1 74 LYS HG3 1 75 TYR H . . 5.070 4.793 4.698 4.915 . 0 0 "[ . 1 . 2]" 1
1336 1 74 LYS HG3 1 79 HIS H . . 5.450 4.955 4.587 5.429 . 0 0 "[ . 1 . 2]" 1
1337 1 74 LYS HG3 1 79 HIS HA . . 4.310 3.740 3.465 4.161 . 0 0 "[ . 1 . 2]" 1
1338 1 75 TYR H 1 75 TYR HB2 . . 3.700 3.350 3.141 3.472 . 0 0 "[ . 1 . 2]" 1
1339 1 75 TYR H 1 75 TYR HB3 . . 3.410 2.664 2.536 2.809 . 0 0 "[ . 1 . 2]" 1
1340 1 75 TYR H 1 75 TYR QD . . 4.410 4.220 3.983 4.366 . 0 0 "[ . 1 . 2]" 1
1341 1 75 TYR H 1 77 GLY H . . 4.670 3.547 3.342 3.899 . 0 0 "[ . 1 . 2]" 1
1342 1 75 TYR H 1 78 GLN H . . 3.220 2.275 2.076 2.502 . 0 0 "[ . 1 . 2]" 1
1343 1 75 TYR H 1 79 HIS HA . . 3.820 3.612 3.270 3.819 . 0 0 "[ . 1 . 2]" 1
1344 1 75 TYR H 1 80 VAL H . . 4.490 4.257 3.951 4.425 . 0 0 "[ . 1 . 2]" 1
1345 1 75 TYR H 1 80 VAL MG1 . . 3.880 3.542 3.289 3.786 . 0 0 "[ . 1 . 2]" 1
1346 1 75 TYR HA 1 75 TYR QD . . 3.960 2.748 2.402 3.081 . 0 0 "[ . 1 . 2]" 1
1347 1 75 TYR HA 1 76 ARG H . . 3.530 2.156 2.138 2.206 . 0 0 "[ . 1 . 2]" 1
1348 1 75 TYR HA 1 76 ARG HA . . 4.800 4.372 4.356 4.399 . 0 0 "[ . 1 . 2]" 1
1349 1 75 TYR HB2 1 76 ARG H . . 4.810 4.311 4.084 4.473 . 0 0 "[ . 1 . 2]" 1
1350 1 75 TYR HB2 1 80 VAL MG1 . . 3.460 2.852 2.496 3.293 . 0 0 "[ . 1 . 2]" 1
1351 1 75 TYR HB3 1 76 ARG H . . 4.750 4.446 4.321 4.552 . 0 0 "[ . 1 . 2]" 1
1352 1 75 TYR HB3 1 78 GLN H . . 4.520 4.202 3.876 4.440 . 0 0 "[ . 1 . 2]" 1
1353 1 75 TYR HB3 1 80 VAL MG1 . . 3.460 2.729 2.302 3.104 . 0 0 "[ . 1 . 2]" 1
1354 1 75 TYR QD 1 76 ARG H . . 4.310 3.611 2.521 4.019 . 0 0 "[ . 1 . 2]" 1
1355 1 75 TYR QD 1 76 ARG QG . . 3.880 3.508 2.943 3.874 . 0 0 "[ . 1 . 2]" 1
1356 1 75 TYR QD 1 80 VAL MG1 . . 4.270 3.873 3.618 4.214 . 0 0 "[ . 1 . 2]" 1
1357 1 75 TYR QE 1 76 ARG HD2 . . 4.660 3.988 2.156 4.654 . 0 0 "[ . 1 . 2]" 1
1358 1 75 TYR QE 1 76 ARG QD . . 4.010 3.320 2.144 4.005 . 0 0 "[ . 1 . 2]" 1
1359 1 75 TYR QE 1 76 ARG HD3 . . 4.660 3.802 2.885 4.560 . 0 0 "[ . 1 . 2]" 1
1360 1 75 TYR QE 1 76 ARG HG2 . . 4.980 4.471 3.013 4.970 . 0 0 "[ . 1 . 2]" 1
1361 1 75 TYR QE 1 76 ARG QG . . 4.190 3.102 2.115 3.665 . 0 0 "[ . 1 . 2]" 1
1362 1 75 TYR QE 1 76 ARG HG3 . . 4.980 3.184 2.140 3.801 . 0 0 "[ . 1 . 2]" 1
1363 1 76 ARG H 1 76 ARG HG2 . . 4.140 3.533 2.599 4.126 . 0 0 "[ . 1 . 2]" 1
1364 1 76 ARG H 1 76 ARG QG . . 3.620 3.004 2.573 3.191 . 0 0 "[ . 1 . 2]" 1
1365 1 76 ARG H 1 76 ARG HG3 . . 4.140 3.450 2.960 4.137 . 0 0 "[ . 1 . 2]" 1
1366 1 76 ARG H 1 77 GLY H . . 3.810 2.687 2.609 2.895 . 0 0 "[ . 1 . 2]" 1
1367 1 76 ARG H 1 78 GLN H . . 4.750 4.216 4.055 4.361 . 0 0 "[ . 1 . 2]" 1
1368 1 76 ARG HA 1 76 ARG HD2 . . 4.620 4.313 2.604 4.639 0.019 13 0 "[ . 1 . 2]" 1
1369 1 76 ARG HA 1 76 ARG HD3 . . 4.620 4.391 3.297 4.572 . 0 0 "[ . 1 . 2]" 1
1370 1 76 ARG HA 1 76 ARG HG2 . . 3.880 2.343 2.165 2.760 . 0 0 "[ . 1 . 2]" 1
1371 1 76 ARG HA 1 76 ARG QG . . 3.230 2.265 2.128 2.698 . 0 0 "[ . 1 . 2]" 1
1372 1 76 ARG HA 1 76 ARG HG3 . . 3.880 3.124 2.619 3.805 . 0 0 "[ . 1 . 2]" 1
1373 1 76 ARG HA 1 77 GLY H . . 3.300 2.927 2.751 2.987 . 0 0 "[ . 1 . 2]" 1
1374 1 76 ARG HA 1 78 GLN H . . 5.120 4.845 4.605 5.002 . 0 0 "[ . 1 . 2]" 1
1375 1 76 ARG QB 1 76 ARG QD . . 2.970 2.313 2.065 2.696 . 0 0 "[ . 1 . 2]" 1
1376 1 76 ARG QB 1 77 GLY H . . 4.190 3.774 3.729 3.874 . 0 0 "[ . 1 . 2]" 1
1377 1 76 ARG QB 1 78 GLN H . . 4.440 4.297 4.022 4.415 . 0 0 "[ . 1 . 2]" 1
1378 1 76 ARG HB2 1 76 ARG HD2 . . 4.100 3.538 2.216 4.103 0.003 17 0 "[ . 1 . 2]" 1
1379 1 76 ARG HB2 1 76 ARG HD3 . . 4.100 3.021 2.574 4.135 0.035 14 0 "[ . 1 . 2]" 1
1380 1 76 ARG HB2 1 77 GLY H . . 4.810 4.152 4.035 4.349 . 0 0 "[ . 1 . 2]" 1
1381 1 76 ARG HB2 1 78 GLN H . . 5.300 4.589 4.181 4.748 . 0 0 "[ . 1 . 2]" 1
1382 1 76 ARG HB3 1 76 ARG HD2 . . 4.100 3.348 2.198 3.657 . 0 0 "[ . 1 . 2]" 1
1383 1 76 ARG HB3 1 76 ARG HD3 . . 4.100 2.776 2.127 3.507 . 0 0 "[ . 1 . 2]" 1
1384 1 76 ARG HB3 1 77 GLY H . . 4.810 4.336 4.282 4.465 . 0 0 "[ . 1 . 2]" 1
1385 1 76 ARG HB3 1 78 GLN H . . 5.300 5.194 4.944 5.303 0.003 11 0 "[ . 1 . 2]" 1
1386 1 77 GLY H 1 78 GLN H . . 3.300 2.417 2.282 2.541 . 0 0 "[ . 1 . 2]" 1
1387 1 78 GLN H 1 78 GLN QB . . 2.970 2.865 2.683 3.000 0.030 13 0 "[ . 1 . 2]" 1
1388 1 78 GLN H 1 78 GLN QG . . 3.420 3.129 2.714 3.418 . 0 0 "[ . 1 . 2]" 1
1389 1 78 GLN H 1 79 HIS H . . 4.300 4.032 3.828 4.177 . 0 0 "[ . 1 . 2]" 1
1390 1 78 GLN HA 1 79 HIS H . . 3.200 2.147 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
1391 1 78 GLN QB 1 78 GLN QG . . 2.320 2.075 2.014 2.086 . 0 0 "[ . 1 . 2]" 1
1392 1 78 GLN QB 1 79 HIS H . . 3.560 3.377 3.205 3.559 . 0 0 "[ . 1 . 2]" 1
1393 1 78 GLN QG 1 79 HIS H . . 4.420 3.992 3.450 4.426 0.006 14 0 "[ . 1 . 2]" 1
1394 1 79 HIS H 1 79 HIS HB2 . . 3.280 2.242 2.204 2.340 . 0 0 "[ . 1 . 2]" 1
1395 1 79 HIS H 1 79 HIS HB3 . . 3.640 3.528 3.507 3.566 . 0 0 "[ . 1 . 2]" 1
1396 1 79 HIS H 1 79 HIS HD2 . . 3.640 3.363 2.484 3.642 0.002 8 0 "[ . 1 . 2]" 1
1397 1 79 HIS H 1 80 VAL H . . 4.690 4.550 4.441 4.623 . 0 0 "[ . 1 . 2]" 1
1398 1 79 HIS HA 1 79 HIS HD2 . . 4.920 4.288 3.823 4.503 . 0 0 "[ . 1 . 2]" 1
1399 1 79 HIS HA 1 80 VAL H . . 2.700 2.166 2.140 2.226 . 0 0 "[ . 1 . 2]" 1
1400 1 79 HIS HA 1 80 VAL MG1 . . 4.200 3.674 3.431 3.841 . 0 0 "[ . 1 . 2]" 1
1401 1 79 HIS HA 1 80 VAL MG2 . . 4.600 3.865 3.694 4.106 . 0 0 "[ . 1 . 2]" 1
1402 1 79 HIS HB2 1 79 HIS HD2 . . 3.820 2.726 2.689 2.896 . 0 0 "[ . 1 . 2]" 1
1403 1 79 HIS HB2 1 80 VAL H . . 4.550 4.345 4.194 4.478 . 0 0 "[ . 1 . 2]" 1
1404 1 79 HIS HB2 1 83 SER HG . . 5.330 4.698 4.167 5.134 . 0 0 "[ . 1 . 2]" 1
1405 1 79 HIS HB3 1 79 HIS HE1 . . 5.190 4.850 4.735 4.919 . 0 0 "[ . 1 . 2]" 1
1406 1 79 HIS HB3 1 80 VAL H . . 3.910 3.305 3.004 3.591 . 0 0 "[ . 1 . 2]" 1
1407 1 79 HIS HB3 1 83 SER H . . 5.000 4.855 4.687 4.998 . 0 0 "[ . 1 . 2]" 1
1408 1 79 HIS HB3 1 83 SER QB . . 4.340 3.834 3.233 4.339 . 0 0 "[ . 1 . 2]" 1
1409 1 79 HIS HB3 1 83 SER HG . . 4.570 3.167 2.548 3.689 . 0 0 "[ . 1 . 2]" 1
1410 1 79 HIS HE1 1 83 SER HG . . 4.210 3.894 3.358 4.208 . 0 0 "[ . 1 . 2]" 1
1411 1 79 HIS HE1 1 84 PRO HA . . 5.140 4.558 4.055 4.857 . 0 0 "[ . 1 . 2]" 1
1412 1 79 HIS HE1 1 84 PRO HB2 . . 5.500 5.271 4.784 5.500 . 0 0 "[ . 1 . 2]" 1
1413 1 79 HIS HE1 1 84 PRO HB3 . . 3.820 3.513 3.058 3.743 . 0 0 "[ . 1 . 2]" 1
1414 1 79 HIS HE1 1 84 PRO HD3 . . 4.440 3.724 3.084 4.125 . 0 0 "[ . 1 . 2]" 1
1415 1 79 HIS HE1 1 84 PRO QG . . 4.520 4.267 3.566 4.521 0.001 10 0 "[ . 1 . 2]" 1
1416 1 80 VAL H 1 80 VAL HB . . 3.970 3.627 3.613 3.654 . 0 0 "[ . 1 . 2]" 1
1417 1 80 VAL H 1 80 VAL MG1 . . 3.090 2.267 2.077 2.416 . 0 0 "[ . 1 . 2]" 1
1418 1 80 VAL H 1 80 VAL MG2 . . 3.240 2.118 1.883 2.341 . 0 0 "[ . 1 . 2]" 1
1419 1 80 VAL H 1 83 SER H . . 4.820 4.631 4.338 4.834 0.014 11 0 "[ . 1 . 2]" 1
1420 1 80 VAL H 1 83 SER QB . . 4.190 3.109 2.437 3.813 . 0 0 "[ . 1 . 2]" 1
1421 1 80 VAL H 1 83 SER HG . . 4.540 3.250 2.461 4.035 . 0 0 "[ . 1 . 2]" 1
1422 1 80 VAL HA 1 80 VAL MG1 . . 3.120 2.350 2.227 2.473 . 0 0 "[ . 1 . 2]" 1
1423 1 80 VAL HA 1 81 THR H . . 2.810 2.479 2.354 2.619 . 0 0 "[ . 1 . 2]" 1
1424 1 80 VAL HA 1 81 THR HA . . 4.470 4.303 4.296 4.315 . 0 0 "[ . 1 . 2]" 1
1425 1 80 VAL HB 1 81 THR H . . 2.900 2.242 1.976 2.523 . 0 0 "[ . 1 . 2]" 1
1426 1 80 VAL HB 1 81 THR HB . . 4.380 4.245 4.116 4.381 0.001 3 0 "[ . 1 . 2]" 1
1427 1 80 VAL MG1 1 81 THR H . . 3.930 3.657 3.487 3.830 . 0 0 "[ . 1 . 2]" 1
1428 1 80 VAL MG2 1 81 THR H . . 3.370 3.200 2.918 3.375 0.005 7 0 "[ . 1 . 2]" 1
1429 1 80 VAL MG2 1 83 SER H . . 3.670 2.469 2.165 2.911 . 0 0 "[ . 1 . 2]" 1
1430 1 80 VAL MG2 1 83 SER HB2 . . 3.580 2.706 2.038 3.181 . 0 0 "[ . 1 . 2]" 1
1431 1 80 VAL MG2 1 83 SER QB . . 3.100 1.891 1.745 2.045 . 0 0 "[ . 1 . 2]" 1
1432 1 80 VAL MG2 1 83 SER HB3 . . 3.580 1.945 1.807 2.117 . 0 0 "[ . 1 . 2]" 1
1433 1 80 VAL MG2 1 85 PHE QE . . 3.680 2.710 2.394 2.952 . 0 0 "[ . 1 . 2]" 1
1434 1 80 VAL MG2 1 85 PHE HZ . . 3.940 3.104 2.476 3.598 . 0 0 "[ . 1 . 2]" 1
1435 1 81 THR H 1 81 THR HB . . 2.980 2.552 2.340 2.706 . 0 0 "[ . 1 . 2]" 1
1436 1 81 THR H 1 81 THR MG . . 3.800 3.504 2.404 3.770 . 0 0 "[ . 1 . 2]" 1
1437 1 81 THR H 1 83 SER H . . 5.120 4.486 4.349 4.639 . 0 0 "[ . 1 . 2]" 1
1438 1 81 THR HA 1 81 THR MG . . 3.230 2.526 2.218 3.183 . 0 0 "[ . 1 . 2]" 1
1439 1 81 THR HA 1 82 GLY H . . 2.760 2.159 2.146 2.194 . 0 0 "[ . 1 . 2]" 1
1440 1 81 THR HA 1 83 SER H . . 4.160 3.909 3.527 4.159 . 0 0 "[ . 1 . 2]" 1
1441 1 81 THR HB 1 82 GLY H . . 4.470 4.230 4.126 4.354 . 0 0 "[ . 1 . 2]" 1
1442 1 81 THR MG 1 82 GLY H . . 3.610 2.846 2.274 3.601 . 0 0 "[ . 1 . 2]" 1
1443 1 81 THR MG 1 82 GLY HA2 . . 4.440 3.722 3.410 4.293 . 0 0 "[ . 1 . 2]" 1
1444 1 81 THR MG 1 82 GLY QA . . 3.830 3.184 2.981 3.315 . 0 0 "[ . 1 . 2]" 1
1445 1 81 THR MG 1 82 GLY HA3 . . 4.440 3.495 3.274 3.758 . 0 0 "[ . 1 . 2]" 1
1446 1 81 THR MG 1 83 SER H . . 4.820 4.508 4.065 4.813 . 0 0 "[ . 1 . 2]" 1
1447 1 82 GLY H 1 83 SER H . . 3.340 3.113 2.888 3.316 . 0 0 "[ . 1 . 2]" 1
1448 1 82 GLY QA 1 85 PHE QD . . 4.050 3.838 3.567 4.050 0.000 4 0 "[ . 1 . 2]" 1
1449 1 82 GLY QA 1 85 PHE QE . . 3.740 2.295 2.027 2.650 . 0 0 "[ . 1 . 2]" 1
1450 1 82 GLY QA 1 85 PHE HZ . . 4.300 2.926 2.307 3.334 . 0 0 "[ . 1 . 2]" 1
1451 1 82 GLY HA2 1 85 PHE QE . . 4.460 3.646 3.237 4.079 . 0 0 "[ . 1 . 2]" 1
1452 1 82 GLY HA2 1 85 PHE HZ . . 5.040 4.651 4.045 5.033 . 0 0 "[ . 1 . 2]" 1
1453 1 82 GLY HA3 1 85 PHE QE . . 4.460 2.321 2.040 2.685 . 0 0 "[ . 1 . 2]" 1
1454 1 82 GLY HA3 1 85 PHE HZ . . 5.040 2.958 2.321 3.384 . 0 0 "[ . 1 . 2]" 1
1455 1 83 SER H 1 83 SER HB2 . . 3.730 3.091 2.536 3.593 . 0 0 "[ . 1 . 2]" 1
1456 1 83 SER H 1 83 SER QB . . 2.970 2.226 2.126 2.377 . 0 0 "[ . 1 . 2]" 1
1457 1 83 SER H 1 83 SER HB3 . . 3.730 2.301 2.170 2.536 . 0 0 "[ . 1 . 2]" 1
1458 1 83 SER H 1 83 SER HG . . 4.480 4.034 3.726 4.360 . 0 0 "[ . 1 . 2]" 1
1459 1 83 SER H 1 84 PRO HA . . 4.760 4.748 4.723 4.787 0.027 5 0 "[ . 1 . 2]" 1
1460 1 83 SER H 1 85 PHE QD . . 5.440 4.536 4.277 4.783 . 0 0 "[ . 1 . 2]" 1
1461 1 83 SER H 1 85 PHE QE . . 4.410 3.393 2.976 3.716 . 0 0 "[ . 1 . 2]" 1
1462 1 83 SER H 1 85 PHE HZ . . 4.740 3.096 2.610 3.617 . 0 0 "[ . 1 . 2]" 1
1463 1 83 SER HA 1 84 PRO HA . . 3.350 2.321 2.213 2.382 . 0 0 "[ . 1 . 2]" 1
1464 1 83 SER HA 1 84 PRO HB2 . . 5.120 4.361 4.307 4.395 . 0 0 "[ . 1 . 2]" 1
1465 1 83 SER HA 1 84 PRO HB3 . . 4.830 4.439 4.353 4.488 . 0 0 "[ . 1 . 2]" 1
1466 1 83 SER HA 1 84 PRO QG . . 5.500 4.493 4.477 4.504 . 0 0 "[ . 1 . 2]" 1
1467 1 83 SER HA 1 85 PHE H . . 3.700 2.906 2.453 3.267 . 0 0 "[ . 1 . 2]" 1
1468 1 83 SER HA 1 85 PHE QD . . 4.080 3.223 2.997 3.413 . 0 0 "[ . 1 . 2]" 1
1469 1 83 SER HA 1 85 PHE QE . . 4.550 3.553 3.373 3.823 . 0 0 "[ . 1 . 2]" 1
1470 1 83 SER QB 1 84 PRO HA . . 4.160 2.645 1.976 3.213 . 0 0 "[ . 1 . 2]" 1
1471 1 83 SER QB 1 85 PHE H . . 5.290 3.630 2.984 4.354 . 0 0 "[ . 1 . 2]" 1
1472 1 83 SER QB 1 85 PHE QD . . 4.390 2.897 2.460 3.278 . 0 0 "[ . 1 . 2]" 1
1473 1 83 SER QB 1 85 PHE QE . . 3.830 2.192 2.034 2.552 . 0 0 "[ . 1 . 2]" 1
1474 1 83 SER HB2 1 84 PRO HA . . 4.800 2.736 1.986 3.462 . 0 0 "[ . 1 . 2]" 1
1475 1 83 SER HB3 1 84 PRO HA . . 4.800 3.721 3.519 3.826 . 0 0 "[ . 1 . 2]" 1
1476 1 83 SER HG 1 84 PRO HA . . 4.190 2.966 2.384 3.585 . 0 0 "[ . 1 . 2]" 1
1477 1 83 SER HG 1 84 PRO HB3 . . 5.160 4.151 3.529 4.872 . 0 0 "[ . 1 . 2]" 1
1478 1 84 PRO HA 1 85 PHE H . . 2.990 2.258 2.164 2.390 . 0 0 "[ . 1 . 2]" 1
1479 1 84 PRO HA 1 85 PHE QD . . 4.330 3.728 3.592 3.976 . 0 0 "[ . 1 . 2]" 1
1480 1 84 PRO HB2 1 85 PHE H . . 3.730 3.039 2.639 3.429 . 0 0 "[ . 1 . 2]" 1
1481 1 84 PRO HB3 1 85 PHE H . . 4.000 3.692 3.467 3.932 . 0 0 "[ . 1 . 2]" 1
1482 1 85 PHE H 1 85 PHE HB2 . . 3.580 2.532 2.446 2.682 . 0 0 "[ . 1 . 2]" 1
1483 1 85 PHE H 1 85 PHE HB3 . . 3.880 3.687 3.629 3.780 . 0 0 "[ . 1 . 2]" 1
1484 1 85 PHE H 1 85 PHE QD . . 3.310 2.672 2.341 2.892 . 0 0 "[ . 1 . 2]" 1
1485 1 85 PHE H 1 85 PHE QE . . 4.750 4.568 4.271 4.702 . 0 0 "[ . 1 . 2]" 1
1486 1 85 PHE H 1 86 GLN H . . 4.740 4.302 4.188 4.408 . 0 0 "[ . 1 . 2]" 1
1487 1 85 PHE HA 1 85 PHE QD . . 4.170 2.801 2.645 2.895 . 0 0 "[ . 1 . 2]" 1
1488 1 85 PHE HA 1 86 GLN H . . 2.910 2.145 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
1489 1 85 PHE HB2 1 86 GLN H . . 4.470 4.346 4.282 4.401 . 0 0 "[ . 1 . 2]" 1
1490 1 85 PHE HB3 1 86 GLN H . . 3.700 3.608 3.453 3.692 . 0 0 "[ . 1 . 2]" 1
1491 1 85 PHE QD 1 86 GLN H . . 4.490 4.355 4.147 4.454 . 0 0 "[ . 1 . 2]" 1
1492 1 86 GLN H 1 86 GLN HB2 . . 3.330 2.494 2.435 2.608 . 0 0 "[ . 1 . 2]" 1
1493 1 86 GLN H 1 86 GLN QB . . 2.850 2.324 2.299 2.368 . 0 0 "[ . 1 . 2]" 1
1494 1 86 GLN H 1 86 GLN HB3 . . 3.330 2.782 2.638 2.830 . 0 0 "[ . 1 . 2]" 1
1495 1 86 GLN H 1 86 GLN HG2 . . 4.730 4.524 4.467 4.656 . 0 0 "[ . 1 . 2]" 1
1496 1 86 GLN H 1 86 GLN QG . . 4.080 3.993 3.963 4.029 . 0 0 "[ . 1 . 2]" 1
1497 1 86 GLN H 1 86 GLN HG3 . . 4.730 4.444 4.357 4.552 . 0 0 "[ . 1 . 2]" 1
1498 1 86 GLN HA 1 86 GLN HG2 . . 4.100 2.587 2.422 3.126 . 0 0 "[ . 1 . 2]" 1
1499 1 86 GLN HA 1 86 GLN HG3 . . 4.100 2.673 2.207 2.823 . 0 0 "[ . 1 . 2]" 1
1500 1 86 GLN HA 1 87 PHE H . . 2.810 2.194 2.162 2.239 . 0 0 "[ . 1 . 2]" 1
1501 1 86 GLN QB 1 87 PHE H . . 3.640 3.555 3.441 3.645 0.005 14 0 "[ . 1 . 2]" 1
1502 1 86 GLN HB2 1 87 PHE H . . 4.360 4.277 4.176 4.353 . 0 0 "[ . 1 . 2]" 1
1503 1 86 GLN HB3 1 87 PHE H . . 4.360 3.802 3.654 3.944 . 0 0 "[ . 1 . 2]" 1
1504 1 86 GLN HG2 1 87 PHE H . . 4.270 2.467 2.213 2.946 . 0 0 "[ . 1 . 2]" 1
1505 1 86 GLN HG3 1 87 PHE H . . 4.270 3.632 2.875 3.905 . 0 0 "[ . 1 . 2]" 1
1506 1 87 PHE H 1 87 PHE HB2 . . 4.150 3.938 3.896 3.976 . 0 0 "[ . 1 . 2]" 1
1507 1 87 PHE H 1 87 PHE HB3 . . 3.870 3.244 3.163 3.310 . 0 0 "[ . 1 . 2]" 1
1508 1 87 PHE H 1 87 PHE QD . . 3.910 3.192 2.795 3.365 . 0 0 "[ . 1 . 2]" 1
1509 1 87 PHE HA 1 88 THR H . . 3.030 2.225 2.183 2.323 . 0 0 "[ . 1 . 2]" 1
1510 1 87 PHE HA 1 88 THR HB . . 4.830 4.689 4.531 4.822 . 0 0 "[ . 1 . 2]" 1
1511 1 87 PHE HB2 1 88 THR H . . 3.600 2.959 2.677 3.109 . 0 0 "[ . 1 . 2]" 1
1512 1 87 PHE HB3 1 88 THR H . . 4.210 4.112 3.959 4.185 . 0 0 "[ . 1 . 2]" 1
1513 1 87 PHE QD 1 88 THR H . . 4.380 3.473 2.952 3.754 . 0 0 "[ . 1 . 2]" 1
1514 1 87 PHE QD 1 89 VAL MG2 . . 3.570 2.676 2.259 3.124 . 0 0 "[ . 1 . 2]" 1
1515 1 87 PHE QE 1 89 VAL MG2 . . 3.490 2.036 1.831 2.269 . 0 0 "[ . 1 . 2]" 1
1516 1 87 PHE HZ 1 89 VAL MG2 . . 4.540 3.883 3.645 4.104 . 0 0 "[ . 1 . 2]" 1
1517 1 88 THR H 1 88 THR HB . . 3.180 2.593 2.482 2.705 . 0 0 "[ . 1 . 2]" 1
1518 1 88 THR H 1 88 THR MG . . 3.870 3.826 3.779 3.874 0.004 11 0 "[ . 1 . 2]" 1
1519 1 88 THR HA 1 88 THR MG . . 3.340 2.316 2.181 2.462 . 0 0 "[ . 1 . 2]" 1
1520 1 88 THR HA 1 89 VAL H . . 2.860 2.197 2.151 2.245 . 0 0 "[ . 1 . 2]" 1
1521 1 88 THR HA 1 89 VAL HB . . 4.960 4.705 4.522 4.842 . 0 0 "[ . 1 . 2]" 1
1522 1 88 THR HA 1 89 VAL MG2 . . 4.260 3.426 3.234 3.801 . 0 0 "[ . 1 . 2]" 1
1523 1 88 THR HB 1 89 VAL H . . 4.250 3.999 3.833 4.111 . 0 0 "[ . 1 . 2]" 1
1524 1 88 THR MG 1 89 VAL H . . 3.420 2.228 2.043 2.398 . 0 0 "[ . 1 . 2]" 1
1525 1 89 VAL H 1 89 VAL HB . . 3.220 2.594 2.460 2.692 . 0 0 "[ . 1 . 2]" 1
1526 1 89 VAL H 1 89 VAL MG1 . . 4.080 3.813 3.765 3.857 . 0 0 "[ . 1 . 2]" 1
1527 1 89 VAL H 1 89 VAL MG2 . . 3.400 2.359 2.024 2.807 . 0 0 "[ . 1 . 2]" 1
1528 1 89 VAL H 1 90 GLY H . . 4.560 4.532 4.440 4.588 0.028 3 0 "[ . 1 . 2]" 1
1529 1 89 VAL HA 1 89 VAL MG1 . . 3.180 2.335 2.241 2.418 . 0 0 "[ . 1 . 2]" 1
1530 1 89 VAL HA 1 89 VAL MG2 . . 3.370 2.460 2.244 2.564 . 0 0 "[ . 1 . 2]" 1
1531 1 89 VAL HA 1 90 GLY H . . 2.790 2.205 2.159 2.257 . 0 0 "[ . 1 . 2]" 1
1532 1 89 VAL HB 1 90 GLY H . . 4.560 3.964 3.776 4.168 . 0 0 "[ . 1 . 2]" 1
1533 1 89 VAL MG1 1 90 GLY H . . 3.400 2.227 1.989 2.501 . 0 0 "[ . 1 . 2]" 1
1534 1 89 VAL MG1 1 90 GLY HA2 . . 4.690 3.767 3.535 3.919 . 0 0 "[ . 1 . 2]" 1
1535 1 89 VAL MG1 1 90 GLY HA3 . . 4.630 4.030 3.881 4.153 . 0 0 "[ . 1 . 2]" 1
1536 1 89 VAL MG2 1 90 GLY H . . 4.100 4.008 3.771 4.101 0.001 7 0 "[ . 1 . 2]" 1
1537 1 90 GLY H 1 91 PRO QD . . 4.080 4.001 3.976 4.030 . 0 0 "[ . 1 . 2]" 1
1538 1 90 GLY HA2 1 91 PRO QD . . 3.170 2.656 2.638 2.665 . 0 0 "[ . 1 . 2]" 1
1539 1 90 GLY HA2 1 91 PRO QG . . 4.990 4.561 4.545 4.570 . 0 0 "[ . 1 . 2]" 1
1540 1 90 GLY HA3 1 91 PRO HB2 . . 5.500 5.523 5.520 5.530 0.030 4 0 "[ . 1 . 2]" 1
1541 1 90 GLY HA3 1 91 PRO QD . . 2.950 1.951 1.946 1.962 . 0 0 "[ . 1 . 2]" 1
1542 1 90 GLY HA3 1 91 PRO HG2 . . 4.770 4.155 4.153 4.161 . 0 0 "[ . 1 . 2]" 1
1543 1 90 GLY HA3 1 91 PRO HG3 . . 4.770 4.554 4.547 4.568 . 0 0 "[ . 1 . 2]" 1
1544 1 91 PRO HA 1 92 LEU H . . 2.780 2.197 2.172 2.232 . 0 0 "[ . 1 . 2]" 1
1545 1 91 PRO HA 1 92 LEU HA . . 4.660 4.338 4.326 4.350 . 0 0 "[ . 1 . 2]" 1
1546 1 91 PRO HA 1 93 GLY H . . 5.220 4.020 3.708 4.826 . 0 0 "[ . 1 . 2]" 1
1547 1 91 PRO HB2 1 92 LEU H . . 3.390 3.257 3.115 3.386 . 0 0 "[ . 1 . 2]" 1
1548 1 91 PRO HB2 1 92 LEU HA . . 5.210 4.947 4.829 5.075 . 0 0 "[ . 1 . 2]" 1
1549 1 91 PRO HB2 1 93 GLY H . . 4.810 2.669 2.230 3.610 . 0 0 "[ . 1 . 2]" 1
1550 1 91 PRO HB3 1 92 LEU H . . 3.910 3.821 3.733 3.903 . 0 0 "[ . 1 . 2]" 1
1551 1 92 LEU H 1 92 LEU QB . . 2.820 2.306 2.135 2.644 . 0 0 "[ . 1 . 2]" 1
1552 1 92 LEU H 1 92 LEU MD1 . . 4.660 4.038 3.787 4.303 . 0 0 "[ . 1 . 2]" 1
1553 1 92 LEU H 1 92 LEU MD2 . . 4.660 2.799 1.806 4.155 . 0 0 "[ . 1 . 2]" 1
1554 1 92 LEU H 1 92 LEU HG . . 4.570 3.511 2.558 4.508 . 0 0 "[ . 1 . 2]" 1
1555 1 92 LEU HA 1 92 LEU MD1 . . 4.250 3.621 2.550 4.100 . 0 0 "[ . 1 . 2]" 1
1556 1 92 LEU HA 1 92 LEU QD . . 3.480 3.170 2.523 3.405 . 0 0 "[ . 1 . 2]" 1
1557 1 92 LEU HA 1 92 LEU MD2 . . 4.250 3.761 3.460 4.130 . 0 0 "[ . 1 . 2]" 1
1558 1 92 LEU HA 1 92 LEU HG . . 3.830 3.499 2.747 3.733 . 0 0 "[ . 1 . 2]" 1
1559 1 92 LEU HA 1 93 GLY QA . . 4.720 4.217 4.183 4.309 . 0 0 "[ . 1 . 2]" 1
1560 1 92 LEU QB 1 92 LEU MD1 . . 2.980 2.057 1.950 2.137 . 0 0 "[ . 1 . 2]" 1
1561 1 92 LEU QB 1 92 LEU MD2 . . 2.980 2.059 1.939 2.276 . 0 0 "[ . 1 . 2]" 1
1562 1 92 LEU QB 1 93 GLY H . . 3.730 3.222 2.139 3.683 . 0 0 "[ . 1 . 2]" 1
1563 1 92 LEU QD 1 93 GLY H . . 4.230 2.689 1.882 3.374 . 0 0 "[ . 1 . 2]" 1
1564 1 92 LEU HG 1 93 GLY H . . 3.920 2.718 2.018 3.888 . 0 0 "[ . 1 . 2]" 1
1565 1 92 LEU HG 1 93 GLY QA . . 4.220 3.473 2.980 3.946 . 0 0 "[ . 1 . 2]" 1
1566 1 93 GLY HA2 1 94 GLU H . . 3.560 2.575 2.144 3.341 . 0 0 "[ . 1 . 2]" 1
1567 1 93 GLY HA3 1 94 GLU H . . 3.560 2.798 2.138 3.569 0.009 9 0 "[ . 1 . 2]" 1
1568 1 94 GLU H 1 94 GLU QB . . 3.480 2.446 2.211 2.911 . 0 0 "[ . 1 . 2]" 1
1569 1 94 GLU H 1 94 GLU QG . . 4.350 3.195 1.868 4.249 . 0 0 "[ . 1 . 2]" 1
1570 1 94 GLU HA 1 94 GLU QG . . 3.710 2.658 2.229 3.339 . 0 0 "[ . 1 . 2]" 1
1571 1 94 GLU QB 1 94 GLU QG . . 2.430 2.055 2.001 2.086 . 0 0 "[ . 1 . 2]" 1
1572 1 100 SER H 1 100 SER QB . . 2.870 2.444 2.259 2.861 . 0 0 "[ . 1 . 2]" 1
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