NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463546 |
2yr3   |
11236 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yr3
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 1732
_Distance_constraint_stats_list.Viol_count 323
_Distance_constraint_stats_list.Viol_total 68.721
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0106
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 MET 0.001 0.001 18 0 "[ . 1 . 2]"
1 9 GLU 0.104 0.030 15 0 "[ . 1 . 2]"
1 10 VAL 0.908 0.099 19 0 "[ . 1 . 2]"
1 11 ALA 0.134 0.036 11 0 "[ . 1 . 2]"
1 12 PRO 0.207 0.026 4 0 "[ . 1 . 2]"
1 13 SER 0.008 0.007 15 0 "[ . 1 . 2]"
1 14 PHE 0.120 0.054 15 0 "[ . 1 . 2]"
1 15 SER 0.006 0.006 9 0 "[ . 1 . 2]"
1 16 SER 0.172 0.050 1 0 "[ . 1 . 2]"
1 17 VAL 0.172 0.050 1 0 "[ . 1 . 2]"
1 18 LEU 0.039 0.022 4 0 "[ . 1 . 2]"
1 19 LYS 0.008 0.006 9 0 "[ . 1 . 2]"
1 21 CYS 0.029 0.020 16 0 "[ . 1 . 2]"
1 22 ALA 0.002 0.002 4 0 "[ . 1 . 2]"
1 23 VAL 0.298 0.026 5 0 "[ . 1 . 2]"
1 24 ILE 0.307 0.072 18 0 "[ . 1 . 2]"
1 25 GLU 0.385 0.066 18 0 "[ . 1 . 2]"
1 26 GLY 0.192 0.030 4 0 "[ . 1 . 2]"
1 27 GLN 0.183 0.072 18 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.011 0.007 6 0 "[ . 1 . 2]"
1 30 VAL 0.016 0.007 6 0 "[ . 1 . 2]"
1 31 LEU 0.001 0.001 14 0 "[ . 1 . 2]"
1 32 GLN 0.003 0.001 16 0 "[ . 1 . 2]"
1 33 CYS 0.012 0.004 7 0 "[ . 1 . 2]"
1 34 SER 0.027 0.015 15 0 "[ . 1 . 2]"
1 35 VAL 0.081 0.054 15 0 "[ . 1 . 2]"
1 36 ARG 0.202 0.099 16 0 "[ . 1 . 2]"
1 37 GLY 0.273 0.099 16 0 "[ . 1 . 2]"
1 38 THR 0.728 0.099 19 0 "[ . 1 . 2]"
1 39 PRO 0.022 0.007 19 0 "[ . 1 . 2]"
1 40 VAL 0.096 0.036 11 0 "[ . 1 . 2]"
1 41 PRO 0.115 0.036 11 0 "[ . 1 . 2]"
1 42 ARG 0.012 0.005 17 0 "[ . 1 . 2]"
1 43 ILE 0.045 0.012 4 0 "[ . 1 . 2]"
1 44 THR 0.041 0.012 4 0 "[ . 1 . 2]"
1 45 TRP 0.021 0.009 14 0 "[ . 1 . 2]"
1 46 LEU 0.063 0.015 4 0 "[ . 1 . 2]"
1 47 LEU 0.036 0.029 14 0 "[ . 1 . 2]"
1 48 ASN 0.001 0.001 14 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.021 0.012 6 0 "[ . 1 . 2]"
1 51 PRO 0.044 0.029 14 0 "[ . 1 . 2]"
1 52 ILE 0.005 0.003 18 0 "[ . 1 . 2]"
1 53 GLN 0.003 0.003 18 0 "[ . 1 . 2]"
1 54 TYR 0.002 0.002 9 0 "[ . 1 . 2]"
1 55 ALA 0.096 0.090 12 0 "[ . 1 . 2]"
1 56 ARG 0.109 0.090 12 0 "[ . 1 . 2]"
1 57 SER 0.012 0.012 18 0 "[ . 1 . 2]"
1 58 THR 0.015 0.015 15 0 "[ . 1 . 2]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.165 0.103 20 0 "[ . 1 . 2]"
1 61 ALA 0.151 0.103 20 0 "[ . 1 . 2]"
1 62 GLY 0.001 0.001 18 0 "[ . 1 . 2]"
1 63 VAL 0.001 0.001 15 0 "[ . 1 . 2]"
1 64 ALA 0.006 0.003 15 0 "[ . 1 . 2]"
1 65 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 66 LEU 0.012 0.012 18 0 "[ . 1 . 2]"
1 67 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.003 0.002 5 0 "[ . 1 . 2]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 0.024 0.011 14 0 "[ . 1 . 2]"
1 72 LEU 0.030 0.011 14 0 "[ . 1 . 2]"
1 73 PRO 0.004 0.004 4 0 "[ . 1 . 2]"
1 74 GLU 0.002 0.002 10 0 "[ . 1 . 2]"
1 75 ASP 0.001 0.001 2 0 "[ . 1 . 2]"
1 76 HIS 0.052 0.020 14 0 "[ . 1 . 2]"
1 77 GLY 0.053 0.020 14 0 "[ . 1 . 2]"
1 78 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TYR 0.011 0.005 4 0 "[ . 1 . 2]"
1 80 THR 0.008 0.003 4 0 "[ . 1 . 2]"
1 81 CYS 0.004 0.002 13 0 "[ . 1 . 2]"
1 82 LEU 0.003 0.003 6 0 "[ . 1 . 2]"
1 83 ALA 0.019 0.008 19 0 "[ . 1 . 2]"
1 84 GLU 0.003 0.003 3 0 "[ . 1 . 2]"
1 85 ASN 0.075 0.010 17 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.055 0.017 2 0 "[ . 1 . 2]"
1 88 GLY 0.123 0.026 4 0 "[ . 1 . 2]"
1 89 GLN 0.003 0.003 6 0 "[ . 1 . 2]"
1 90 VAL 0.085 0.017 4 0 "[ . 1 . 2]"
1 91 SER 0.005 0.005 11 0 "[ . 1 . 2]"
1 92 CYS 0.024 0.012 7 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.031 0.022 4 0 "[ . 1 . 2]"
1 95 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 VAL 0.032 0.020 16 0 "[ . 1 . 2]"
1 97 THR 0.030 0.016 15 0 "[ . 1 . 2]"
1 98 VAL 0.009 0.003 4 0 "[ . 1 . 2]"
1 99 HIS 0.179 0.026 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 MET H 1 8 MET QB . . 3.490 2.653 2.168 3.257 . 0 0 "[ . 1 . 2]" 1
2 1 8 MET H 1 8 MET QG . . 4.370 2.787 1.989 4.112 . 0 0 "[ . 1 . 2]" 1
3 1 8 MET HA 1 8 MET HG2 . . 4.220 3.688 3.058 3.878 . 0 0 "[ . 1 . 2]" 1
4 1 8 MET HA 1 8 MET HG3 . . 4.220 3.548 2.661 4.206 . 0 0 "[ . 1 . 2]" 1
5 1 8 MET HA 1 9 GLU H . . 2.860 2.276 2.182 2.378 . 0 0 "[ . 1 . 2]" 1
6 1 8 MET HA 1 9 GLU HA . . 4.620 4.329 4.293 4.402 . 0 0 "[ . 1 . 2]" 1
7 1 8 MET HA 1 9 GLU QG . . 4.690 4.213 3.654 4.691 0.001 18 0 "[ . 1 . 2]" 1
8 1 8 MET QB 1 9 GLU H . . 3.610 2.926 2.513 3.584 . 0 0 "[ . 1 . 2]" 1
9 1 8 MET HB2 1 9 GLU H . . 4.170 3.097 2.544 4.154 . 0 0 "[ . 1 . 2]" 1
10 1 8 MET HB3 1 9 GLU H . . 4.170 3.957 3.592 4.163 . 0 0 "[ . 1 . 2]" 1
11 1 8 MET QG 1 10 VAL QG . . 3.950 3.399 2.936 3.813 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLU H 1 9 GLU HB2 . . 3.250 2.404 2.271 2.524 . 0 0 "[ . 1 . 2]" 1
13 1 9 GLU H 1 9 GLU HB3 . . 3.850 3.591 3.540 3.667 . 0 0 "[ . 1 . 2]" 1
14 1 9 GLU H 1 9 GLU QG . . 3.200 2.838 2.291 3.156 . 0 0 "[ . 1 . 2]" 1
15 1 9 GLU H 1 10 VAL H . . 4.730 4.570 4.413 4.640 . 0 0 "[ . 1 . 2]" 1
16 1 9 GLU H 1 10 VAL QG . . 5.000 4.612 4.193 4.961 . 0 0 "[ . 1 . 2]" 1
17 1 9 GLU H 1 38 THR MG . . 4.570 4.406 3.899 4.562 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLU H 1 87 LEU MD1 . . 5.230 4.698 4.278 5.097 . 0 0 "[ . 1 . 2]" 1
19 1 9 GLU H 1 87 LEU QD . . 4.420 4.071 3.738 4.414 . 0 0 "[ . 1 . 2]" 1
20 1 9 GLU H 1 87 LEU MD2 . . 5.230 4.500 3.907 5.060 . 0 0 "[ . 1 . 2]" 1
21 1 9 GLU HA 1 9 GLU HG2 . . 3.820 3.070 2.574 3.629 . 0 0 "[ . 1 . 2]" 1
22 1 9 GLU HA 1 9 GLU HG3 . . 3.820 2.505 2.297 2.852 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLU HA 1 10 VAL H . . 2.860 2.523 2.360 2.645 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLU HA 1 10 VAL QG . . 4.170 3.319 2.949 3.808 . 0 0 "[ . 1 . 2]" 1
25 1 9 GLU HA 1 38 THR H . . 5.260 5.219 5.083 5.290 0.030 15 0 "[ . 1 . 2]" 1
26 1 9 GLU HA 1 38 THR MG . . 3.660 2.067 1.957 2.263 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLU HA 1 87 LEU MD1 . . 5.050 4.619 3.991 5.052 0.002 11 0 "[ . 1 . 2]" 1
28 1 9 GLU HA 1 87 LEU QD . . 4.360 3.915 3.514 4.328 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLU HA 1 87 LEU MD2 . . 5.050 4.239 3.824 4.770 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLU HB2 1 10 VAL H . . 4.040 3.505 3.317 3.828 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLU HB2 1 87 LEU MD1 . . 3.610 2.838 2.439 3.137 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLU HB2 1 87 LEU QD . . 3.120 2.373 2.037 2.679 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLU HB2 1 87 LEU MD2 . . 3.610 2.574 2.148 2.915 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLU HB3 1 10 VAL H . . 3.590 2.173 1.930 2.535 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLU HB3 1 38 THR HB . . 4.290 3.813 3.201 4.295 0.005 14 0 "[ . 1 . 2]" 1
36 1 9 GLU HB3 1 38 THR MG . . 3.930 3.179 2.202 3.556 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLU HB3 1 39 PRO HD2 . . 4.350 4.026 3.730 4.304 . 0 0 "[ . 1 . 2]" 1
38 1 9 GLU HB3 1 39 PRO HD3 . . 4.100 3.574 3.206 3.855 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLU HB3 1 87 LEU QD . . 3.080 2.065 1.778 2.515 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLU QG 1 10 VAL H . . 4.100 3.565 3.310 3.710 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLU QG 1 38 THR MG . . 3.440 2.391 1.914 2.822 . 0 0 "[ . 1 . 2]" 1
42 1 9 GLU QG 1 39 PRO HD3 . . 3.780 2.606 2.232 3.288 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLU QG 1 87 LEU QD . . 3.630 2.873 2.256 3.364 . 0 0 "[ . 1 . 2]" 1
44 1 9 GLU HG2 1 10 VAL H . . 4.700 3.909 3.452 4.399 . 0 0 "[ . 1 . 2]" 1
45 1 9 GLU HG2 1 38 THR MG . . 4.080 2.829 2.002 3.725 . 0 0 "[ . 1 . 2]" 1
46 1 9 GLU HG2 1 39 PRO HD3 . . 4.380 2.656 2.246 3.445 . 0 0 "[ . 1 . 2]" 1
47 1 9 GLU HG3 1 10 VAL H . . 4.700 4.245 3.884 4.622 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLU HG3 1 38 THR MG . . 4.080 2.908 1.976 3.569 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLU HG3 1 39 PRO HD3 . . 4.380 4.000 3.359 4.382 0.002 4 0 "[ . 1 . 2]" 1
50 1 10 VAL H 1 10 VAL HB . . 3.980 3.428 2.712 3.904 . 0 0 "[ . 1 . 2]" 1
51 1 10 VAL H 1 10 VAL MG1 . . 3.740 3.535 3.220 3.758 0.018 2 0 "[ . 1 . 2]" 1
52 1 10 VAL H 1 10 VAL QG . . 3.180 2.555 2.117 3.172 . 0 0 "[ . 1 . 2]" 1
53 1 10 VAL H 1 10 VAL MG2 . . 3.740 2.654 2.140 3.430 . 0 0 "[ . 1 . 2]" 1
54 1 10 VAL H 1 11 ALA H . . 4.510 4.403 4.370 4.450 . 0 0 "[ . 1 . 2]" 1
55 1 10 VAL H 1 38 THR H . . 3.460 3.152 2.983 3.341 . 0 0 "[ . 1 . 2]" 1
56 1 10 VAL H 1 38 THR HB . . 3.420 2.186 1.889 2.783 . 0 0 "[ . 1 . 2]" 1
57 1 10 VAL H 1 38 THR MG . . 3.660 2.938 2.520 3.268 . 0 0 "[ . 1 . 2]" 1
58 1 10 VAL H 1 85 ASN HD22 . . 4.810 4.306 4.015 4.590 . 0 0 "[ . 1 . 2]" 1
59 1 10 VAL H 1 87 LEU MD1 . . 4.470 3.555 2.741 4.142 . 0 0 "[ . 1 . 2]" 1
60 1 10 VAL H 1 87 LEU QD . . 3.820 2.928 2.162 3.620 . 0 0 "[ . 1 . 2]" 1
61 1 10 VAL H 1 87 LEU MD2 . . 4.470 3.165 2.203 4.097 . 0 0 "[ . 1 . 2]" 1
62 1 10 VAL HA 1 10 VAL MG1 . . 3.450 2.308 2.044 2.591 . 0 0 "[ . 1 . 2]" 1
63 1 10 VAL HA 1 10 VAL QG . . 2.830 2.106 2.004 2.249 . 0 0 "[ . 1 . 2]" 1
64 1 10 VAL HA 1 10 VAL MG2 . . 3.450 2.813 2.095 3.183 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL HA 1 11 ALA H . . 2.720 2.389 2.262 2.490 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL HA 1 11 ALA MB . . 4.200 3.973 3.898 4.062 . 0 0 "[ . 1 . 2]" 1
67 1 10 VAL HA 1 87 LEU QD . . 3.300 2.934 2.434 3.304 0.004 13 0 "[ . 1 . 2]" 1
68 1 10 VAL HB 1 11 ALA H . . 4.160 2.902 2.180 4.037 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL HB 1 37 GLY HA2 . . 4.490 3.457 3.129 3.938 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL HB 1 37 GLY HA3 . . 5.500 5.068 4.627 5.509 0.009 8 0 "[ . 1 . 2]" 1
71 1 10 VAL HB 1 38 THR H . . 4.510 3.487 2.220 4.298 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL HB 1 38 THR HB . . 4.460 3.537 2.000 4.475 0.015 6 0 "[ . 1 . 2]" 1
73 1 10 VAL HB 1 38 THR MG . . 5.500 4.941 3.714 5.599 0.099 19 0 "[ . 1 . 2]" 1
74 1 10 VAL HB 1 85 ASN HD22 . . 5.500 5.264 5.021 5.481 . 0 0 "[ . 1 . 2]" 1
75 1 10 VAL HB 1 87 LEU QD . . 5.260 4.545 3.942 4.946 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL QG 1 11 ALA H . . 3.080 2.658 1.873 3.087 0.007 8 0 "[ . 1 . 2]" 1
77 1 10 VAL QG 1 11 ALA MB . . 4.150 3.844 3.233 4.186 0.036 11 0 "[ . 1 . 2]" 1
78 1 10 VAL QG 1 37 GLY H . . 4.430 3.624 3.248 4.154 . 0 0 "[ . 1 . 2]" 1
79 1 10 VAL QG 1 37 GLY HA2 . . 3.340 2.336 1.960 2.627 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL QG 1 37 GLY HA3 . . 3.770 3.607 3.228 3.788 0.018 9 0 "[ . 1 . 2]" 1
81 1 10 VAL QG 1 38 THR H . . 3.200 2.280 1.855 2.644 . 0 0 "[ . 1 . 2]" 1
82 1 10 VAL QG 1 38 THR HB . . 3.300 2.206 1.753 3.139 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL QG 1 85 ASN HD21 . . 4.460 4.418 4.217 4.470 0.010 17 0 "[ . 1 . 2]" 1
84 1 10 VAL QG 1 85 ASN HD22 . . 4.730 4.092 3.889 4.318 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL MG1 1 38 THR HB . . 3.850 3.741 3.530 3.859 0.009 14 0 "[ . 1 . 2]" 1
86 1 10 VAL MG2 1 38 THR HB . . 3.850 2.264 1.756 3.326 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA H 1 11 ALA MB . . 2.750 2.165 2.095 2.284 . 0 0 "[ . 1 . 2]" 1
88 1 11 ALA H 1 12 PRO HD2 . . 4.880 4.768 4.722 4.805 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA H 1 12 PRO HD3 . . 5.120 5.078 5.032 5.110 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA H 1 87 LEU HB2 . . 5.090 4.831 4.531 5.088 . 0 0 "[ . 1 . 2]" 1
91 1 11 ALA H 1 87 LEU HB3 . . 4.530 4.190 3.856 4.530 . 7 0 "[ . 1 . 2]" 1
92 1 11 ALA H 1 87 LEU QD . . 3.800 3.482 2.982 3.797 . 0 0 "[ . 1 . 2]" 1
93 1 11 ALA HA 1 12 PRO HB3 . . 5.170 4.859 4.839 4.883 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA HA 1 12 PRO HD2 . . 3.340 2.459 2.344 2.560 . 0 0 "[ . 1 . 2]" 1
95 1 11 ALA HA 1 12 PRO HD3 . . 3.230 2.326 2.280 2.375 . 0 0 "[ . 1 . 2]" 1
96 1 11 ALA HA 1 12 PRO HG3 . . 4.590 4.509 4.439 4.576 . 0 0 "[ . 1 . 2]" 1
97 1 11 ALA HA 1 85 ASN HD21 . . 4.400 3.924 3.532 4.280 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA HA 1 85 ASN HD22 . . 4.160 2.258 1.900 2.598 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA HA 1 87 LEU HB2 . . 3.770 2.512 2.187 2.780 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA HA 1 87 LEU HB3 . . 3.950 2.389 2.083 2.803 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA HA 1 87 LEU QD . . 4.240 3.219 2.702 3.561 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA MB 1 12 PRO HA . . 4.840 4.384 4.335 4.461 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA MB 1 12 PRO HD2 . . 3.100 2.080 2.000 2.165 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA MB 1 12 PRO HD3 . . 3.300 3.199 3.082 3.310 0.010 12 0 "[ . 1 . 2]" 1
105 1 11 ALA MB 1 85 ASN HD22 . . 4.660 3.919 3.622 4.216 . 0 0 "[ . 1 . 2]" 1
106 1 11 ALA MB 1 87 LEU H . . 5.450 5.191 4.895 5.400 . 0 0 "[ . 1 . 2]" 1
107 1 11 ALA MB 1 87 LEU HB2 . . 3.870 3.682 3.350 3.875 0.005 17 0 "[ . 1 . 2]" 1
108 1 11 ALA MB 1 87 LEU HB3 . . 3.210 2.663 2.318 2.949 . 0 0 "[ . 1 . 2]" 1
109 1 11 ALA MB 1 87 LEU QD . . 3.450 3.191 2.913 3.432 . 0 0 "[ . 1 . 2]" 1
110 1 11 ALA MB 1 87 LEU HG . . 5.140 4.512 3.978 5.059 . 0 0 "[ . 1 . 2]" 1
111 1 11 ALA MB 1 88 GLY H . . 4.140 3.092 2.802 3.339 . 0 0 "[ . 1 . 2]" 1
112 1 11 ALA MB 1 88 GLY HA2 . . 4.130 3.813 3.613 4.011 . 0 0 "[ . 1 . 2]" 1
113 1 11 ALA MB 1 88 GLY HA3 . . 4.020 2.535 2.379 2.751 . 0 0 "[ . 1 . 2]" 1
114 1 11 ALA MB 1 89 GLN H . . 4.390 4.227 4.072 4.377 . 0 0 "[ . 1 . 2]" 1
115 1 11 ALA MB 1 90 VAL MG1 . . 4.170 4.109 4.003 4.170 . 0 0 "[ . 1 . 2]" 1
116 1 12 PRO HA 1 13 SER H . . 2.900 2.209 2.153 2.319 . 0 0 "[ . 1 . 2]" 1
117 1 12 PRO HA 1 37 GLY HA2 . . 4.080 3.253 2.773 3.860 . 0 0 "[ . 1 . 2]" 1
118 1 12 PRO HA 1 37 GLY HA3 . . 3.800 2.501 2.146 2.867 . 0 0 "[ . 1 . 2]" 1
119 1 12 PRO HA 1 38 THR H . . 5.010 4.511 4.073 4.999 . 0 0 "[ . 1 . 2]" 1
120 1 12 PRO HA 1 90 VAL MG1 . . 4.940 4.514 4.258 4.752 . 0 0 "[ . 1 . 2]" 1
121 1 12 PRO HB2 1 13 SER H . . 3.680 3.239 2.830 3.554 . 0 0 "[ . 1 . 2]" 1
122 1 12 PRO HB2 1 37 GLY HA3 . . 5.500 4.924 4.497 5.373 . 0 0 "[ . 1 . 2]" 1
123 1 12 PRO HB2 1 83 ALA MB . . 3.150 3.047 2.776 3.152 0.002 3 0 "[ . 1 . 2]" 1
124 1 12 PRO HB2 1 84 GLU HA . . 4.840 3.587 3.187 3.918 . 0 0 "[ . 1 . 2]" 1
125 1 12 PRO HB2 1 88 GLY HA3 . . 5.500 5.504 5.483 5.526 0.026 4 0 "[ . 1 . 2]" 1
126 1 12 PRO HB2 1 90 VAL H . . 5.010 3.333 3.090 3.523 . 0 0 "[ . 1 . 2]" 1
127 1 12 PRO HB2 1 90 VAL MG1 . . 3.890 2.973 2.686 3.235 . 0 0 "[ . 1 . 2]" 1
128 1 12 PRO HB2 1 90 VAL MG2 . . 3.760 1.990 1.916 2.165 . 0 0 "[ . 1 . 2]" 1
129 1 12 PRO HB3 1 13 SER H . . 4.100 3.813 3.568 4.015 . 0 0 "[ . 1 . 2]" 1
130 1 12 PRO HB3 1 83 ALA MB . . 3.520 3.391 3.111 3.523 0.003 7 0 "[ . 1 . 2]" 1
131 1 12 PRO HB3 1 84 GLU HA . . 4.630 3.306 2.893 3.789 . 0 0 "[ . 1 . 2]" 1
132 1 12 PRO HB3 1 85 ASN H . . 4.840 3.845 3.428 4.234 . 0 0 "[ . 1 . 2]" 1
133 1 12 PRO HB3 1 90 VAL H . . 4.830 4.425 4.166 4.681 . 0 0 "[ . 1 . 2]" 1
134 1 12 PRO HB3 1 90 VAL MG2 . . 3.740 3.501 3.348 3.668 . 0 0 "[ . 1 . 2]" 1
135 1 12 PRO HD2 1 85 ASN H . . 4.730 4.381 4.162 4.542 . 0 0 "[ . 1 . 2]" 1
136 1 12 PRO HD2 1 85 ASN HD22 . . 4.510 3.682 3.381 3.916 . 0 0 "[ . 1 . 2]" 1
137 1 12 PRO HD2 1 87 LEU H . . 5.500 5.022 4.832 5.163 . 0 0 "[ . 1 . 2]" 1
138 1 12 PRO HD2 1 88 GLY H . . 4.290 2.370 2.260 2.585 . 0 0 "[ . 1 . 2]" 1
139 1 12 PRO HD2 1 89 GLN HA . . 4.790 4.310 4.175 4.466 . 0 0 "[ . 1 . 2]" 1
140 1 12 PRO HD2 1 90 VAL H . . 5.500 5.485 5.387 5.517 0.017 4 0 "[ . 1 . 2]" 1
141 1 12 PRO HD2 1 90 VAL MG1 . . 4.280 3.916 3.769 4.059 . 0 0 "[ . 1 . 2]" 1
142 1 12 PRO HD2 1 90 VAL MG2 . . 5.180 4.917 4.744 5.133 . 0 0 "[ . 1 . 2]" 1
143 1 12 PRO HD3 1 85 ASN H . . 4.330 3.354 3.052 3.634 . 0 0 "[ . 1 . 2]" 1
144 1 12 PRO HD3 1 85 ASN HD21 . . 4.460 3.321 3.055 3.558 . 0 0 "[ . 1 . 2]" 1
145 1 12 PRO HD3 1 85 ASN HD22 . . 4.290 2.270 1.903 2.445 . 0 0 "[ . 1 . 2]" 1
146 1 12 PRO HD3 1 87 LEU HB2 . . 4.780 3.052 2.816 3.308 . 0 0 "[ . 1 . 2]" 1
147 1 12 PRO HD3 1 87 LEU HB3 . . 4.660 3.691 3.473 4.073 . 0 0 "[ . 1 . 2]" 1
148 1 12 PRO HD3 1 87 LEU MD1 . . 5.500 4.928 4.332 5.300 . 0 0 "[ . 1 . 2]" 1
149 1 12 PRO HD3 1 87 LEU QD . . 4.830 4.341 3.968 4.578 . 0 0 "[ . 1 . 2]" 1
150 1 12 PRO HD3 1 87 LEU MD2 . . 5.500 4.829 4.520 5.100 . 0 0 "[ . 1 . 2]" 1
151 1 12 PRO HD3 1 88 GLY H . . 4.040 2.012 1.900 2.198 . 0 0 "[ . 1 . 2]" 1
152 1 12 PRO HD3 1 90 VAL MG1 . . 5.500 4.849 4.674 5.045 . 0 0 "[ . 1 . 2]" 1
153 1 12 PRO HG2 1 83 ALA MB . . 5.040 4.906 4.558 5.037 . 0 0 "[ . 1 . 2]" 1
154 1 12 PRO HG2 1 84 GLU HA . . 3.720 3.567 3.197 3.723 0.003 3 0 "[ . 1 . 2]" 1
155 1 12 PRO HG2 1 85 ASN H . . 4.460 4.165 3.822 4.361 . 0 0 "[ . 1 . 2]" 1
156 1 12 PRO HG2 1 85 ASN HD22 . . 5.360 5.181 4.863 5.330 . 0 0 "[ . 1 . 2]" 1
157 1 12 PRO HG2 1 88 GLY HA3 . . 4.710 3.290 3.257 3.320 . 0 0 "[ . 1 . 2]" 1
158 1 12 PRO HG2 1 89 GLN HA . . 4.070 2.747 2.498 2.905 . 0 0 "[ . 1 . 2]" 1
159 1 12 PRO HG2 1 90 VAL H . . 4.270 3.286 3.206 3.332 . 0 0 "[ . 1 . 2]" 1
160 1 12 PRO HG2 1 90 VAL MG1 . . 3.810 2.246 2.007 2.541 . 0 0 "[ . 1 . 2]" 1
161 1 12 PRO HG2 1 90 VAL MG2 . . 3.970 3.084 2.944 3.250 . 0 0 "[ . 1 . 2]" 1
162 1 12 PRO HG3 1 83 ALA MB . . 4.860 4.647 4.285 4.810 . 0 0 "[ . 1 . 2]" 1
163 1 12 PRO HG3 1 84 GLU HA . . 4.160 2.262 2.061 2.404 . 0 0 "[ . 1 . 2]" 1
164 1 12 PRO HG3 1 85 ASN H . . 3.820 2.463 2.144 2.677 . 0 0 "[ . 1 . 2]" 1
165 1 12 PRO HG3 1 85 ASN HD21 . . 5.010 4.848 4.515 5.014 0.004 20 0 "[ . 1 . 2]" 1
166 1 12 PRO HG3 1 85 ASN HD22 . . 4.520 4.376 4.003 4.513 . 0 0 "[ . 1 . 2]" 1
167 1 12 PRO HG3 1 88 GLY H . . 4.190 3.392 3.251 3.559 . 0 0 "[ . 1 . 2]" 1
168 1 12 PRO HG3 1 88 GLY HA3 . . 5.310 3.658 3.527 3.806 . 0 0 "[ . 1 . 2]" 1
169 1 12 PRO HG3 1 89 GLN HA . . 4.440 2.301 2.001 2.621 . 0 0 "[ . 1 . 2]" 1
170 1 12 PRO HG3 1 90 VAL H . . 4.480 3.525 3.289 3.725 . 0 0 "[ . 1 . 2]" 1
171 1 12 PRO HG3 1 90 VAL MG1 . . 4.220 3.730 3.459 4.076 . 0 0 "[ . 1 . 2]" 1
172 1 12 PRO HG3 1 90 VAL MG2 . . 4.410 3.842 3.668 3.946 . 0 0 "[ . 1 . 2]" 1
173 1 13 SER H 1 14 PHE H . . 4.650 4.309 4.200 4.395 . 0 0 "[ . 1 . 2]" 1
174 1 13 SER H 1 14 PHE HA . . 4.980 4.609 4.547 4.700 . 0 0 "[ . 1 . 2]" 1
175 1 13 SER H 1 35 VAL QG . . 3.910 2.958 2.540 3.349 . 0 0 "[ . 1 . 2]" 1
176 1 13 SER H 1 36 ARG H . . 3.530 3.262 2.836 3.501 . 0 0 "[ . 1 . 2]" 1
177 1 13 SER H 1 37 GLY HA2 . . 4.840 4.420 4.185 4.847 0.007 15 0 "[ . 1 . 2]" 1
178 1 13 SER H 1 37 GLY HA3 . . 4.240 3.895 3.672 4.144 . 0 0 "[ . 1 . 2]" 1
179 1 13 SER H 1 90 VAL MG2 . . 4.260 3.275 2.813 3.668 . 0 0 "[ . 1 . 2]" 1
180 1 13 SER HA 1 14 PHE H . . 3.050 2.311 2.159 2.538 . 0 0 "[ . 1 . 2]" 1
181 1 13 SER HA 1 14 PHE QD . . 4.880 4.112 3.687 4.511 . 0 0 "[ . 1 . 2]" 1
182 1 13 SER HA 1 90 VAL MG1 . . 3.460 2.537 2.013 2.920 . 0 0 "[ . 1 . 2]" 1
183 1 13 SER HA 1 90 VAL MG2 . . 3.590 2.489 2.064 2.851 . 0 0 "[ . 1 . 2]" 1
184 1 13 SER QB 1 14 PHE H . . 3.220 2.864 2.167 3.221 0.001 15 0 "[ . 1 . 2]" 1
185 1 13 SER QB 1 90 VAL MG1 . . 4.410 3.867 3.284 4.388 . 0 0 "[ . 1 . 2]" 1
186 1 13 SER QB 1 90 VAL MG2 . . 5.340 4.138 3.824 4.504 . 0 0 "[ . 1 . 2]" 1
187 1 13 SER HB2 1 14 PHE H . . 4.070 3.651 2.628 4.066 . 0 0 "[ . 1 . 2]" 1
188 1 13 SER HB3 1 14 PHE H . . 4.070 3.262 2.184 4.064 . 0 0 "[ . 1 . 2]" 1
189 1 14 PHE H 1 14 PHE HB2 . . 3.390 2.427 2.299 2.621 . 0 0 "[ . 1 . 2]" 1
190 1 14 PHE H 1 14 PHE HB3 . . 3.760 3.643 3.565 3.764 0.004 17 0 "[ . 1 . 2]" 1
191 1 14 PHE H 1 14 PHE QD . . 3.710 3.216 2.794 3.608 . 0 0 "[ . 1 . 2]" 1
192 1 14 PHE H 1 17 VAL MG1 . . 5.160 4.463 4.046 4.793 . 0 0 "[ . 1 . 2]" 1
193 1 14 PHE H 1 35 VAL HA . . 5.080 4.915 4.703 5.066 . 0 0 "[ . 1 . 2]" 1
194 1 14 PHE H 1 90 VAL MG1 . . 4.340 4.047 3.772 4.321 . 0 0 "[ . 1 . 2]" 1
195 1 14 PHE H 1 90 VAL MG2 . . 4.490 3.475 2.989 3.938 . 0 0 "[ . 1 . 2]" 1
196 1 14 PHE HA 1 14 PHE QD . . 3.950 2.522 2.300 2.679 . 0 0 "[ . 1 . 2]" 1
197 1 14 PHE HA 1 15 SER H . . 3.100 2.176 2.138 2.247 . 0 0 "[ . 1 . 2]" 1
198 1 14 PHE HA 1 16 SER H . . 3.880 3.689 3.318 3.867 . 0 0 "[ . 1 . 2]" 1
199 1 14 PHE HA 1 17 VAL MG1 . . 5.100 4.421 3.870 4.772 . 0 0 "[ . 1 . 2]" 1
200 1 14 PHE HA 1 35 VAL HA . . 3.840 2.322 2.135 2.506 . 0 0 "[ . 1 . 2]" 1
201 1 14 PHE HA 1 35 VAL QG . . 3.810 3.163 2.576 3.526 . 0 0 "[ . 1 . 2]" 1
202 1 14 PHE HA 1 36 ARG H . . 3.880 3.442 2.952 3.797 . 0 0 "[ . 1 . 2]" 1
203 1 14 PHE HA 1 90 VAL MG2 . . 5.360 4.467 4.326 4.719 . 0 0 "[ . 1 . 2]" 1
204 1 14 PHE HB2 1 15 SER H . . 4.610 4.484 4.320 4.575 . 0 0 "[ . 1 . 2]" 1
205 1 14 PHE HB2 1 17 VAL MG1 . . 3.300 2.582 2.077 2.929 . 0 0 "[ . 1 . 2]" 1
206 1 14 PHE HB3 1 15 SER H . . 4.020 3.768 3.386 4.016 . 0 0 "[ . 1 . 2]" 1
207 1 14 PHE HB3 1 16 SER H . . 3.870 3.589 3.151 3.809 . 0 0 "[ . 1 . 2]" 1
208 1 14 PHE HB3 1 16 SER QB . . 5.500 5.365 5.137 5.503 0.003 16 0 "[ . 1 . 2]" 1
209 1 14 PHE HB3 1 17 VAL H . . 5.070 3.671 2.993 4.057 . 0 0 "[ . 1 . 2]" 1
210 1 14 PHE HB3 1 17 VAL MG1 . . 3.400 2.272 1.900 2.583 . 0 0 "[ . 1 . 2]" 1
211 1 14 PHE HB3 1 90 VAL MG2 . . 5.440 5.045 4.815 5.340 . 0 0 "[ . 1 . 2]" 1
212 1 14 PHE QD 1 15 SER H . . 4.280 4.055 3.829 4.286 0.006 9 0 "[ . 1 . 2]" 1
213 1 14 PHE QD 1 16 SER H . . 4.680 4.254 3.862 4.682 0.002 9 0 "[ . 1 . 2]" 1
214 1 14 PHE QD 1 17 VAL MG1 . . 3.870 3.526 3.131 3.841 . 0 0 "[ . 1 . 2]" 1
215 1 14 PHE QD 1 33 CYS HB2 . . 5.150 3.852 3.573 4.139 . 0 0 "[ . 1 . 2]" 1
216 1 14 PHE QD 1 33 CYS HB3 . . 5.500 5.348 5.074 5.504 0.004 7 0 "[ . 1 . 2]" 1
217 1 14 PHE QD 1 34 SER H . . 4.680 4.291 3.757 4.695 0.015 15 0 "[ . 1 . 2]" 1
218 1 14 PHE QD 1 35 VAL HB . . 4.550 2.672 2.087 4.567 0.017 15 0 "[ . 1 . 2]" 1
219 1 14 PHE QD 1 35 VAL MG1 . . 4.080 3.713 2.824 4.048 . 0 0 "[ . 1 . 2]" 1
220 1 14 PHE QD 1 35 VAL QG . . 3.450 2.952 1.858 3.320 . 0 0 "[ . 1 . 2]" 1
221 1 14 PHE QD 1 35 VAL MG2 . . 4.080 3.133 1.868 3.619 . 0 0 "[ . 1 . 2]" 1
222 1 14 PHE QD 1 36 ARG H . . 5.280 4.947 4.391 5.218 . 0 0 "[ . 1 . 2]" 1
223 1 14 PHE QD 1 83 ALA MB . . 4.470 4.165 3.804 4.347 . 0 0 "[ . 1 . 2]" 1
224 1 14 PHE QD 1 90 VAL HB . . 4.720 3.128 2.853 3.252 . 0 0 "[ . 1 . 2]" 1
225 1 14 PHE QD 1 90 VAL MG1 . . 4.230 4.166 3.977 4.235 0.005 6 0 "[ . 1 . 2]" 1
226 1 14 PHE QD 1 90 VAL MG2 . . 3.890 2.554 2.147 2.893 . 0 0 "[ . 1 . 2]" 1
227 1 14 PHE QD 1 91 SER HA . . 4.800 4.525 4.307 4.760 . 0 0 "[ . 1 . 2]" 1
228 1 14 PHE QD 1 92 CYS QB . . 5.180 3.058 2.701 3.850 . 0 0 "[ . 1 . 2]" 1
229 1 14 PHE QE 1 17 VAL MG1 . . 5.370 4.909 4.553 5.237 . 0 0 "[ . 1 . 2]" 1
230 1 14 PHE QE 1 35 VAL HB . . 4.540 2.726 2.094 4.594 0.054 15 0 "[ . 1 . 2]" 1
231 1 14 PHE QE 1 35 VAL MG1 . . 4.030 3.110 1.980 3.499 . 0 0 "[ . 1 . 2]" 1
232 1 14 PHE QE 1 35 VAL QG . . 3.400 2.622 1.780 2.998 . 0 0 "[ . 1 . 2]" 1
233 1 14 PHE QE 1 35 VAL MG2 . . 4.030 2.881 1.945 3.299 . 0 0 "[ . 1 . 2]" 1
234 1 14 PHE QE 1 83 ALA MB . . 4.660 2.881 2.303 3.148 . 0 0 "[ . 1 . 2]" 1
235 1 14 PHE QE 1 90 VAL HB . . 4.270 3.294 2.635 3.616 . 0 0 "[ . 1 . 2]" 1
236 1 14 PHE QE 1 90 VAL MG1 . . 4.720 4.502 4.114 4.666 . 0 0 "[ . 1 . 2]" 1
237 1 14 PHE QE 1 90 VAL MG2 . . 3.600 2.182 1.983 2.460 . 0 0 "[ . 1 . 2]" 1
238 1 14 PHE QE 1 91 SER H . . 4.080 3.391 2.680 3.718 . 0 0 "[ . 1 . 2]" 1
239 1 14 PHE QE 1 91 SER HA . . 4.070 2.415 2.179 2.679 . 0 0 "[ . 1 . 2]" 1
240 1 14 PHE QE 1 92 CYS H . . 4.430 3.204 2.796 3.564 . 0 0 "[ . 1 . 2]" 1
241 1 14 PHE HZ 1 81 CYS HB3 . . 4.590 3.394 2.842 4.051 . 0 0 "[ . 1 . 2]" 1
242 1 14 PHE HZ 1 83 ALA H . . 4.350 3.163 2.255 3.768 . 0 0 "[ . 1 . 2]" 1
243 1 14 PHE HZ 1 83 ALA MB . . 3.810 2.211 1.978 2.677 . 0 0 "[ . 1 . 2]" 1
244 1 14 PHE HZ 1 90 VAL MG2 . . 4.400 3.458 2.789 3.786 . 0 0 "[ . 1 . 2]" 1
245 1 14 PHE HZ 1 91 SER HA . . 4.020 3.483 2.488 4.007 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE HZ 1 92 CYS H . . 4.050 3.788 3.044 4.010 . 0 0 "[ . 1 . 2]" 1
247 1 15 SER H 1 15 SER HB2 . . 3.970 2.620 2.190 3.611 . 0 0 "[ . 1 . 2]" 1
248 1 15 SER H 1 15 SER QB . . 3.470 2.317 2.168 2.606 . 0 0 "[ . 1 . 2]" 1
249 1 15 SER H 1 15 SER HB3 . . 3.970 2.872 2.300 3.598 . 0 0 "[ . 1 . 2]" 1
250 1 15 SER H 1 16 SER H . . 3.020 2.588 2.193 2.783 . 0 0 "[ . 1 . 2]" 1
251 1 15 SER H 1 17 VAL MG1 . . 5.500 5.064 4.402 5.469 . 0 0 "[ . 1 . 2]" 1
252 1 15 SER H 1 35 VAL HA . . 3.720 2.754 2.172 3.161 . 0 0 "[ . 1 . 2]" 1
253 1 15 SER H 1 35 VAL QG . . 4.580 4.188 3.681 4.556 . 0 0 "[ . 1 . 2]" 1
254 1 15 SER H 1 36 ARG QG . . 4.810 3.716 2.501 4.589 . 0 0 "[ . 1 . 2]" 1
255 1 15 SER QB 1 16 SER H . . 3.570 2.737 2.506 3.431 . 0 0 "[ . 1 . 2]" 1
256 1 15 SER QB 1 36 ARG QD . . 4.330 3.587 2.536 4.273 . 0 0 "[ . 1 . 2]" 1
257 1 15 SER QB 1 36 ARG QG . . 3.770 3.020 2.442 3.555 . 0 0 "[ . 1 . 2]" 1
258 1 15 SER HB2 1 16 SER H . . 4.350 3.538 2.581 4.071 . 0 0 "[ . 1 . 2]" 1
259 1 15 SER HB2 1 36 ARG QG . . 4.610 3.290 2.477 4.334 . 0 0 "[ . 1 . 2]" 1
260 1 15 SER HB3 1 16 SER H . . 4.350 3.109 2.546 3.926 . 0 0 "[ . 1 . 2]" 1
261 1 15 SER HB3 1 36 ARG QG . . 4.610 3.907 2.666 4.509 . 0 0 "[ . 1 . 2]" 1
262 1 16 SER H 1 16 SER QB . . 3.810 2.635 2.507 2.809 . 0 0 "[ . 1 . 2]" 1
263 1 16 SER H 1 17 VAL MG1 . . 4.410 4.266 4.041 4.406 . 0 0 "[ . 1 . 2]" 1
264 1 16 SER H 1 34 SER H . . 3.610 3.079 2.751 3.265 . 0 0 "[ . 1 . 2]" 1
265 1 16 SER H 1 34 SER QB . . 3.970 2.203 1.917 2.743 . 0 0 "[ . 1 . 2]" 1
266 1 16 SER H 1 35 VAL HA . . 4.730 4.378 3.966 4.633 . 0 0 "[ . 1 . 2]" 1
267 1 16 SER QB 1 17 VAL H . . 3.930 3.875 3.681 3.980 0.050 1 0 "[ . 1 . 2]" 1
268 1 16 SER QB 1 17 VAL MG2 . . 4.910 4.775 4.543 4.921 0.011 19 0 "[ . 1 . 2]" 1
269 1 16 SER QB 1 34 SER H . . 3.690 2.443 2.055 2.924 . 0 0 "[ . 1 . 2]" 1
270 1 17 VAL H 1 17 VAL MG1 . . 3.570 2.202 2.004 2.451 . 0 0 "[ . 1 . 2]" 1
271 1 17 VAL H 1 17 VAL MG2 . . 2.910 2.162 1.939 2.487 . 0 0 "[ . 1 . 2]" 1
272 1 17 VAL H 1 18 LEU H . . 4.890 4.633 4.611 4.647 . 0 0 "[ . 1 . 2]" 1
273 1 17 VAL H 1 33 CYS HB2 . . 5.500 5.341 4.979 5.503 0.003 15 0 "[ . 1 . 2]" 1
274 1 17 VAL HA 1 17 VAL MG1 . . 3.550 2.353 2.254 2.441 . 0 0 "[ . 1 . 2]" 1
275 1 17 VAL HA 1 18 LEU H . . 3.440 2.369 2.259 2.480 . 0 0 "[ . 1 . 2]" 1
276 1 17 VAL HA 1 18 LEU MD2 . . 5.130 4.905 4.688 5.123 . 0 0 "[ . 1 . 2]" 1
277 1 17 VAL HA 1 18 LEU HG . . 4.760 3.803 3.630 3.997 . 0 0 "[ . 1 . 2]" 1
278 1 17 VAL HA 1 33 CYS HB2 . . 4.510 3.545 3.230 3.732 . 0 0 "[ . 1 . 2]" 1
279 1 17 VAL HA 1 33 CYS HB3 . . 4.680 4.447 4.215 4.655 . 0 0 "[ . 1 . 2]" 1
280 1 17 VAL HB 1 18 LEU H . . 3.260 2.475 2.219 2.773 . 0 0 "[ . 1 . 2]" 1
281 1 17 VAL HB 1 18 LEU HG . . 4.910 4.679 4.427 4.911 0.001 1 0 "[ . 1 . 2]" 1
282 1 17 VAL HB 1 92 CYS HB2 . . 4.580 3.315 2.546 4.515 . 0 0 "[ . 1 . 2]" 1
283 1 17 VAL HB 1 92 CYS QB . . 4.010 3.132 2.487 3.639 . 0 0 "[ . 1 . 2]" 1
284 1 17 VAL HB 1 92 CYS HB3 . . 4.580 4.163 3.484 4.572 . 0 0 "[ . 1 . 2]" 1
285 1 17 VAL MG1 1 18 LEU H . . 4.020 3.706 3.569 3.862 . 0 0 "[ . 1 . 2]" 1
286 1 17 VAL MG1 1 92 CYS HB2 . . 4.430 2.968 2.353 4.255 . 0 0 "[ . 1 . 2]" 1
287 1 17 VAL MG1 1 92 CYS QB . . 3.780 2.675 2.266 3.488 . 0 0 "[ . 1 . 2]" 1
288 1 17 VAL MG1 1 92 CYS HB3 . . 4.430 3.138 2.654 3.838 . 0 0 "[ . 1 . 2]" 1
289 1 17 VAL MG2 1 18 LEU H . . 3.730 3.482 3.257 3.660 . 0 0 "[ . 1 . 2]" 1
290 1 17 VAL MG2 1 18 LEU HA . . 4.550 4.385 4.223 4.549 . 0 0 "[ . 1 . 2]" 1
291 1 17 VAL MG2 1 19 LYS QE . . 4.210 3.331 2.071 4.191 . 0 0 "[ . 1 . 2]" 1
292 1 18 LEU H 1 18 LEU QB . . 3.360 2.456 2.345 2.538 . 0 0 "[ . 1 . 2]" 1
293 1 18 LEU H 1 18 LEU MD1 . . 4.320 3.216 3.125 3.401 . 0 0 "[ . 1 . 2]" 1
294 1 18 LEU H 1 18 LEU MD2 . . 3.940 3.680 3.485 3.851 . 0 0 "[ . 1 . 2]" 1
295 1 18 LEU H 1 18 LEU HG . . 3.470 2.266 2.051 2.510 . 0 0 "[ . 1 . 2]" 1
296 1 18 LEU H 1 19 LYS H . . 5.110 4.627 4.605 4.643 . 0 0 "[ . 1 . 2]" 1
297 1 18 LEU H 1 33 CYS HB2 . . 4.360 4.126 3.733 4.362 0.002 7 0 "[ . 1 . 2]" 1
298 1 18 LEU H 1 33 CYS HB3 . . 4.340 4.058 3.690 4.295 . 0 0 "[ . 1 . 2]" 1
299 1 18 LEU H 1 92 CYS QB . . 5.040 3.731 3.275 4.130 . 0 0 "[ . 1 . 2]" 1
300 1 18 LEU H 1 92 CYS HG . . 4.920 3.696 2.200 4.837 . 0 0 "[ . 1 . 2]" 1
301 1 18 LEU H 1 94 ALA MB . . 4.210 4.033 3.798 4.232 0.022 4 0 "[ . 1 . 2]" 1
302 1 18 LEU HA 1 18 LEU MD1 . . 4.260 3.930 3.889 3.961 . 0 0 "[ . 1 . 2]" 1
303 1 18 LEU HA 1 18 LEU MD2 . . 3.090 2.387 2.201 2.489 . 0 0 "[ . 1 . 2]" 1
304 1 18 LEU HA 1 18 LEU HG . . 4.160 2.870 2.754 2.986 . 0 0 "[ . 1 . 2]" 1
305 1 18 LEU HA 1 19 LYS H . . 3.280 2.323 2.244 2.442 . 0 0 "[ . 1 . 2]" 1
306 1 18 LEU HA 1 19 LYS QB . . 4.450 4.292 4.058 4.456 0.006 9 0 "[ . 1 . 2]" 1
307 1 18 LEU HA 1 19 LYS QG . . 4.770 3.823 3.223 4.763 . 0 0 "[ . 1 . 2]" 1
308 1 18 LEU HA 1 33 CYS HB3 . . 4.640 3.452 3.012 3.811 . 0 0 "[ . 1 . 2]" 1
309 1 18 LEU HA 1 94 ALA MB . . 4.520 4.142 3.843 4.520 . 0 0 "[ . 1 . 2]" 1
310 1 18 LEU QB 1 18 LEU MD1 . . 3.180 2.002 1.937 2.082 . 0 0 "[ . 1 . 2]" 1
311 1 18 LEU QB 1 19 LYS H . . 4.080 2.570 2.297 2.786 . 0 0 "[ . 1 . 2]" 1
312 1 18 LEU QB 1 94 ALA MB . . 3.150 1.858 1.749 1.989 . 0 0 "[ . 1 . 2]" 1
313 1 18 LEU HB2 1 19 LYS H . . 4.680 3.740 3.504 3.996 . 0 0 "[ . 1 . 2]" 1
314 1 18 LEU HB2 1 94 ALA MB . . 3.610 1.961 1.868 2.086 . 0 0 "[ . 1 . 2]" 1
315 1 18 LEU HB3 1 19 LYS H . . 4.680 2.619 2.329 2.844 . 0 0 "[ . 1 . 2]" 1
316 1 18 LEU HB3 1 94 ALA MB . . 3.610 2.351 2.008 2.690 . 0 0 "[ . 1 . 2]" 1
317 1 18 LEU MD1 1 31 LEU QD . . 3.810 2.985 2.571 3.213 . 0 0 "[ . 1 . 2]" 1
318 1 18 LEU MD1 1 33 CYS HB3 . . 4.620 3.814 3.623 4.049 . 0 0 "[ . 1 . 2]" 1
319 1 18 LEU MD1 1 45 TRP HE3 . . 4.720 3.906 3.445 4.164 . 0 0 "[ . 1 . 2]" 1
320 1 18 LEU MD1 1 45 TRP HH2 . . 4.460 3.229 2.823 3.690 . 0 0 "[ . 1 . 2]" 1
321 1 18 LEU MD1 1 45 TRP HZ3 . . 3.610 2.380 2.039 2.694 . 0 0 "[ . 1 . 2]" 1
322 1 18 LEU MD1 1 79 TYR HB2 . . 4.700 3.507 3.140 4.100 . 0 0 "[ . 1 . 2]" 1
323 1 18 LEU MD1 1 79 TYR QB . . 4.130 3.141 2.862 3.578 . 0 0 "[ . 1 . 2]" 1
324 1 18 LEU MD1 1 79 TYR HB3 . . 4.700 3.561 3.227 3.943 . 0 0 "[ . 1 . 2]" 1
325 1 18 LEU MD1 1 80 THR HA . . 4.160 3.873 3.225 4.163 0.003 4 0 "[ . 1 . 2]" 1
326 1 18 LEU MD1 1 81 CYS H . . 4.030 3.195 2.477 3.512 . 0 0 "[ . 1 . 2]" 1
327 1 18 LEU MD1 1 81 CYS HB3 . . 3.860 3.110 2.557 3.575 . 0 0 "[ . 1 . 2]" 1
328 1 18 LEU MD1 1 93 SER HA . . 4.090 3.723 3.283 3.959 . 0 0 "[ . 1 . 2]" 1
329 1 18 LEU MD1 1 93 SER QB . . 5.150 5.009 4.642 5.141 . 0 0 "[ . 1 . 2]" 1
330 1 18 LEU MD1 1 94 ALA H . . 4.260 3.828 3.456 4.058 . 0 0 "[ . 1 . 2]" 1
331 1 18 LEU MD1 1 94 ALA MB . . 3.340 2.046 1.795 2.361 . 0 0 "[ . 1 . 2]" 1
332 1 18 LEU MD2 1 19 LYS H . . 4.260 3.466 3.239 3.707 . 0 0 "[ . 1 . 2]" 1
333 1 18 LEU MD2 1 31 LEU HA . . 4.300 3.584 3.339 3.907 . 0 0 "[ . 1 . 2]" 1
334 1 18 LEU MD2 1 31 LEU QB . . 2.860 1.960 1.852 2.083 . 0 0 "[ . 1 . 2]" 1
335 1 18 LEU MD2 1 31 LEU MD1 . . 3.490 3.161 2.917 3.434 . 0 0 "[ . 1 . 2]" 1
336 1 18 LEU MD2 1 31 LEU QD . . 2.970 2.488 2.041 2.820 . 0 0 "[ . 1 . 2]" 1
337 1 18 LEU MD2 1 31 LEU MD2 . . 3.490 2.632 2.079 3.248 . 0 0 "[ . 1 . 2]" 1
338 1 18 LEU MD2 1 31 LEU HG . . 4.490 4.368 4.093 4.490 . 0 0 "[ . 1 . 2]" 1
339 1 18 LEU MD2 1 32 GLN H . . 3.770 3.642 3.214 3.757 . 0 0 "[ . 1 . 2]" 1
340 1 18 LEU MD2 1 32 GLN HA . . 4.320 4.104 3.947 4.250 . 0 0 "[ . 1 . 2]" 1
341 1 18 LEU MD2 1 33 CYS H . . 4.250 3.952 3.694 4.233 . 0 0 "[ . 1 . 2]" 1
342 1 18 LEU MD2 1 33 CYS HB2 . . 4.000 3.462 3.169 3.896 . 0 0 "[ . 1 . 2]" 1
343 1 18 LEU MD2 1 33 CYS HB3 . . 3.470 2.043 1.839 2.423 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU MD2 1 33 CYS HG . . 3.960 3.012 2.086 3.884 . 0 0 "[ . 1 . 2]" 1
345 1 18 LEU MD2 1 45 TRP HE3 . . 5.500 4.885 4.577 5.377 . 0 0 "[ . 1 . 2]" 1
346 1 18 LEU MD2 1 45 TRP HH2 . . 2.970 2.309 2.045 2.516 . 0 0 "[ . 1 . 2]" 1
347 1 18 LEU MD2 1 45 TRP HZ2 . . 4.530 4.325 4.028 4.535 0.005 6 0 "[ . 1 . 2]" 1
348 1 18 LEU MD2 1 45 TRP HZ3 . . 4.160 2.805 2.403 3.278 . 0 0 "[ . 1 . 2]" 1
349 1 18 LEU MD2 1 81 CYS HB3 . . 5.300 4.841 4.266 5.192 . 0 0 "[ . 1 . 2]" 1
350 1 18 LEU MD2 1 94 ALA MB . . 3.710 3.364 2.877 3.704 . 0 0 "[ . 1 . 2]" 1
351 1 18 LEU HG 1 33 CYS HB2 . . 4.600 3.363 3.151 3.671 . 0 0 "[ . 1 . 2]" 1
352 1 18 LEU HG 1 33 CYS HB3 . . 4.290 2.588 2.348 3.018 . 0 0 "[ . 1 . 2]" 1
353 1 19 LYS H 1 19 LYS HB2 . . 4.170 2.888 2.516 3.825 . 0 0 "[ . 1 . 2]" 1
354 1 19 LYS H 1 19 LYS QB . . 3.570 2.709 2.471 3.185 . 0 0 "[ . 1 . 2]" 1
355 1 19 LYS H 1 19 LYS HB3 . . 4.170 3.680 3.212 3.852 . 0 0 "[ . 1 . 2]" 1
356 1 19 LYS H 1 19 LYS QD . . 4.860 3.916 1.948 4.862 0.002 16 0 "[ . 1 . 2]" 1
357 1 19 LYS H 1 19 LYS QG . . 4.070 3.012 1.975 3.875 . 0 0 "[ . 1 . 2]" 1
358 1 19 LYS H 1 94 ALA MB . . 4.230 3.798 3.545 4.176 . 0 0 "[ . 1 . 2]" 1
359 1 19 LYS HB2 1 19 LYS QE . . 4.850 4.005 3.251 4.463 . 0 0 "[ . 1 . 2]" 1
360 1 19 LYS HB3 1 19 LYS QE . . 4.850 3.483 2.000 4.527 . 0 0 "[ . 1 . 2]" 1
361 1 21 CYS H 1 21 CYS QB . . 3.650 2.771 2.454 3.325 . 0 0 "[ . 1 . 2]" 1
362 1 21 CYS HA 1 22 ALA H . . 3.300 2.309 2.223 2.550 . 0 0 "[ . 1 . 2]" 1
363 1 21 CYS HA 1 22 ALA MB . . 4.780 3.838 3.783 3.918 . 0 0 "[ . 1 . 2]" 1
364 1 21 CYS QB 1 22 ALA H . . 3.480 2.946 2.150 3.449 . 0 0 "[ . 1 . 2]" 1
365 1 21 CYS QB 1 22 ALA MB . . 4.930 4.520 4.167 4.753 . 0 0 "[ . 1 . 2]" 1
366 1 21 CYS QB 1 23 VAL MG1 . . 5.340 5.232 5.006 5.347 0.007 16 0 "[ . 1 . 2]" 1
367 1 21 CYS QB 1 96 VAL QG . . 3.510 2.830 2.158 3.432 . 0 0 "[ . 1 . 2]" 1
368 1 21 CYS HB2 1 22 ALA H . . 4.180 3.865 2.864 4.174 . 0 0 "[ . 1 . 2]" 1
369 1 21 CYS HB2 1 96 VAL MG1 . . 4.570 3.998 2.856 4.571 0.001 2 0 "[ . 1 . 2]" 1
370 1 21 CYS HB2 1 96 VAL MG2 . . 4.570 3.605 2.539 4.590 0.020 16 0 "[ . 1 . 2]" 1
371 1 21 CYS HB3 1 22 ALA H . . 4.180 3.205 2.165 4.095 . 0 0 "[ . 1 . 2]" 1
372 1 21 CYS HB3 1 96 VAL MG1 . . 4.570 3.696 2.683 4.570 . 0 0 "[ . 1 . 2]" 1
373 1 21 CYS HB3 1 96 VAL MG2 . . 4.570 3.838 2.302 4.555 . 0 0 "[ . 1 . 2]" 1
374 1 22 ALA H 1 22 ALA MB . . 3.500 2.456 2.249 2.691 . 0 0 "[ . 1 . 2]" 1
375 1 22 ALA HA 1 23 VAL H . . 2.920 2.225 2.146 2.292 . 0 0 "[ . 1 . 2]" 1
376 1 22 ALA HA 1 23 VAL MG1 . . 4.280 4.013 3.788 4.217 . 0 0 "[ . 1 . 2]" 1
377 1 22 ALA HA 1 96 VAL QG . . 4.480 3.829 3.537 4.129 . 0 0 "[ . 1 . 2]" 1
378 1 22 ALA HA 1 97 THR H . . 3.640 3.170 2.848 3.413 . 0 0 "[ . 1 . 2]" 1
379 1 22 ALA HA 1 97 THR HB . . 3.870 3.422 3.083 3.803 . 0 0 "[ . 1 . 2]" 1
380 1 22 ALA MB 1 23 VAL H . . 3.530 2.877 2.645 3.192 . 0 0 "[ . 1 . 2]" 1
381 1 22 ALA MB 1 23 VAL MG1 . . 4.890 4.583 4.358 4.767 . 0 0 "[ . 1 . 2]" 1
382 1 22 ALA MB 1 97 THR H . . 4.650 4.300 3.876 4.574 . 0 0 "[ . 1 . 2]" 1
383 1 22 ALA MB 1 97 THR HB . . 3.950 3.411 2.804 3.952 0.002 4 0 "[ . 1 . 2]" 1
384 1 22 ALA MB 1 99 HIS HD2 . . 3.740 3.273 2.766 3.647 . 0 0 "[ . 1 . 2]" 1
385 1 22 ALA MB 1 99 HIS HE1 . . 4.860 3.219 2.265 3.834 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL H 1 23 VAL HB . . 3.900 3.127 2.936 3.333 . 0 0 "[ . 1 . 2]" 1
387 1 23 VAL H 1 23 VAL MG1 . . 3.230 2.482 2.209 2.621 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL H 1 23 VAL MG2 . . 4.260 3.994 3.914 4.023 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL H 1 96 VAL QG . . 4.360 4.288 4.116 4.363 0.003 5 0 "[ . 1 . 2]" 1
390 1 23 VAL H 1 97 THR H . . 4.670 4.484 4.227 4.627 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL H 1 97 THR HB . . 4.720 4.438 4.184 4.722 0.002 5 0 "[ . 1 . 2]" 1
392 1 23 VAL H 1 97 THR MG . . 5.470 4.848 4.009 5.486 0.016 15 0 "[ . 1 . 2]" 1
393 1 23 VAL H 1 98 VAL HA . . 3.790 2.796 2.626 3.283 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL H 1 98 VAL MG1 . . 5.090 4.257 3.965 4.885 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL H 1 98 VAL MG2 . . 4.550 4.085 3.883 4.402 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL H 1 99 HIS HD2 . . 4.320 3.389 3.161 3.945 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL HA 1 23 VAL MG1 . . 3.710 3.177 3.158 3.191 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL HA 1 23 VAL MG2 . . 3.360 2.175 2.034 2.263 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL HA 1 24 ILE H . . 2.910 2.317 2.244 2.403 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL HB 1 24 ILE H . . 4.080 4.012 3.851 4.100 0.020 3 0 "[ . 1 . 2]" 1
401 1 23 VAL HB 1 27 GLN HB2 . . 5.010 4.922 4.696 5.006 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL HB 1 27 GLN HB3 . . 5.370 5.227 4.888 5.389 0.019 18 0 "[ . 1 . 2]" 1
403 1 23 VAL HB 1 29 PHE QB . . 4.430 2.843 2.563 3.252 . 0 0 "[ . 1 . 2]" 1
404 1 23 VAL HB 1 29 PHE QD . . 4.460 3.319 2.691 4.093 . 0 0 "[ . 1 . 2]" 1
405 1 23 VAL HB 1 96 VAL QG . . 4.340 4.121 3.848 4.335 . 0 0 "[ . 1 . 2]" 1
406 1 23 VAL HB 1 99 HIS H . . 5.500 5.503 5.475 5.526 0.026 5 0 "[ . 1 . 2]" 1
407 1 23 VAL MG1 1 24 ILE H . . 3.780 3.280 3.024 3.536 . 0 0 "[ . 1 . 2]" 1
408 1 23 VAL MG1 1 25 GLU H . . 5.070 4.613 4.362 4.841 . 0 0 "[ . 1 . 2]" 1
409 1 23 VAL MG1 1 27 GLN H . . 5.490 4.291 3.895 4.805 . 0 0 "[ . 1 . 2]" 1
410 1 23 VAL MG1 1 27 GLN HB2 . . 4.150 3.608 3.197 4.019 . 0 0 "[ . 1 . 2]" 1
411 1 23 VAL MG1 1 27 GLN HB3 . . 4.670 4.521 4.209 4.678 0.008 6 0 "[ . 1 . 2]" 1
412 1 23 VAL MG1 1 27 GLN QG . . 5.240 4.855 4.416 5.217 . 0 0 "[ . 1 . 2]" 1
413 1 23 VAL MG1 1 29 PHE QB . . 4.070 3.344 2.973 3.830 . 0 0 "[ . 1 . 2]" 1
414 1 23 VAL MG1 1 29 PHE QD . . 3.580 2.331 1.967 2.900 . 0 0 "[ . 1 . 2]" 1
415 1 23 VAL MG1 1 71 ALA H . . 5.500 4.551 4.280 4.789 . 0 0 "[ . 1 . 2]" 1
416 1 23 VAL MG1 1 71 ALA MB . . 3.250 2.029 1.817 2.265 . 0 0 "[ . 1 . 2]" 1
417 1 23 VAL MG1 1 97 THR H . . 5.500 4.794 4.237 5.089 . 0 0 "[ . 1 . 2]" 1
418 1 23 VAL MG1 1 98 VAL HA . . 3.650 2.138 1.965 2.474 . 0 0 "[ . 1 . 2]" 1
419 1 23 VAL MG1 1 98 VAL MG1 . . 3.330 2.217 1.965 2.565 . 0 0 "[ . 1 . 2]" 1
420 1 23 VAL MG1 1 98 VAL MG2 . . 2.950 2.149 1.795 2.364 . 0 0 "[ . 1 . 2]" 1
421 1 23 VAL MG1 1 99 HIS H . . 4.160 3.293 3.042 3.589 . 0 0 "[ . 1 . 2]" 1
422 1 23 VAL MG1 1 99 HIS HD2 . . 4.540 4.422 4.300 4.547 0.007 16 0 "[ . 1 . 2]" 1
423 1 23 VAL MG2 1 24 ILE H . . 3.670 1.987 1.848 2.196 . 0 0 "[ . 1 . 2]" 1
424 1 23 VAL MG2 1 27 GLN H . . 4.280 3.563 3.070 3.971 . 0 0 "[ . 1 . 2]" 1
425 1 23 VAL MG2 1 27 GLN HB2 . . 4.390 2.007 1.921 2.177 . 0 0 "[ . 1 . 2]" 1
426 1 23 VAL MG2 1 27 GLN HB3 . . 4.410 2.448 2.255 2.625 . 0 0 "[ . 1 . 2]" 1
427 1 23 VAL MG2 1 27 GLN QG . . 4.680 3.203 2.903 3.668 . 0 0 "[ . 1 . 2]" 1
428 1 23 VAL MG2 1 29 PHE QB . . 3.600 2.189 1.973 2.377 . 0 0 "[ . 1 . 2]" 1
429 1 23 VAL MG2 1 29 PHE QD . . 3.450 2.588 1.983 3.217 . 0 0 "[ . 1 . 2]" 1
430 1 23 VAL MG2 1 71 ALA H . . 4.950 4.493 4.084 4.948 . 0 0 "[ . 1 . 2]" 1
431 1 23 VAL MG2 1 71 ALA MB . . 3.340 2.713 2.411 3.131 . 0 0 "[ . 1 . 2]" 1
432 1 23 VAL MG2 1 99 HIS HD2 . . 5.310 4.756 4.340 5.079 . 0 0 "[ . 1 . 2]" 1
433 1 24 ILE H 1 24 ILE HB . . 3.250 2.435 2.343 2.618 . 0 0 "[ . 1 . 2]" 1
434 1 24 ILE H 1 24 ILE MD . . 3.910 3.339 2.068 3.907 . 0 0 "[ . 1 . 2]" 1
435 1 24 ILE H 1 24 ILE HG12 . . 4.260 3.535 2.043 4.214 . 0 0 "[ . 1 . 2]" 1
436 1 24 ILE H 1 24 ILE QG . . 3.570 2.795 2.031 3.524 . 0 0 "[ . 1 . 2]" 1
437 1 24 ILE H 1 24 ILE HG13 . . 4.260 3.266 2.413 4.045 . 0 0 "[ . 1 . 2]" 1
438 1 24 ILE H 1 24 ILE MG . . 3.830 3.743 3.689 3.834 0.004 4 0 "[ . 1 . 2]" 1
439 1 24 ILE H 1 25 GLU H . . 4.760 4.569 4.523 4.612 . 0 0 "[ . 1 . 2]" 1
440 1 24 ILE H 1 27 GLN HB2 . . 4.210 2.629 2.265 3.101 . 0 0 "[ . 1 . 2]" 1
441 1 24 ILE H 1 27 GLN HB3 . . 4.650 3.641 3.253 3.956 . 0 0 "[ . 1 . 2]" 1
442 1 24 ILE H 1 27 GLN HG2 . . 4.790 3.967 3.240 4.728 . 0 0 "[ . 1 . 2]" 1
443 1 24 ILE H 1 27 GLN QG . . 4.100 2.986 2.614 3.571 . 0 0 "[ . 1 . 2]" 1
444 1 24 ILE H 1 27 GLN HG3 . . 4.790 3.164 2.664 4.749 . 0 0 "[ . 1 . 2]" 1
445 1 24 ILE HA 1 24 ILE MD . . 3.860 3.065 1.973 3.873 0.013 4 0 "[ . 1 . 2]" 1
446 1 24 ILE HA 1 24 ILE HG12 . . 4.010 2.897 2.442 3.587 . 0 0 "[ . 1 . 2]" 1
447 1 24 ILE HA 1 24 ILE QG . . 3.480 2.463 2.217 2.956 . 0 0 "[ . 1 . 2]" 1
448 1 24 ILE HA 1 24 ILE HG13 . . 4.010 2.971 2.240 3.804 . 0 0 "[ . 1 . 2]" 1
449 1 24 ILE HA 1 24 ILE MG . . 3.210 2.437 2.248 2.545 . 0 0 "[ . 1 . 2]" 1
450 1 24 ILE HA 1 25 GLU H . . 2.920 2.255 2.178 2.356 . 0 0 "[ . 1 . 2]" 1
451 1 24 ILE HA 1 25 GLU HA . . 4.790 4.309 4.297 4.327 . 0 0 "[ . 1 . 2]" 1
452 1 24 ILE HA 1 25 GLU QB . . 4.280 4.156 4.107 4.230 . 0 0 "[ . 1 . 2]" 1
453 1 24 ILE HA 1 98 VAL MG1 . . 4.140 3.628 3.049 4.032 . 0 0 "[ . 1 . 2]" 1
454 1 24 ILE HA 1 99 HIS H . . 3.440 3.142 2.050 3.442 0.002 18 0 "[ . 1 . 2]" 1
455 1 24 ILE HA 1 99 HIS HB2 . . 4.590 2.023 1.995 2.125 . 0 0 "[ . 1 . 2]" 1
456 1 24 ILE HA 1 99 HIS QB . . 3.890 2.015 1.987 2.115 . 0 0 "[ . 1 . 2]" 1
457 1 24 ILE HA 1 99 HIS HB3 . . 4.590 3.710 3.599 3.863 . 0 0 "[ . 1 . 2]" 1
458 1 24 ILE HA 1 99 HIS HD2 . . 4.670 3.055 2.508 3.344 . 0 0 "[ . 1 . 2]" 1
459 1 24 ILE HB 1 25 GLU H . . 4.040 3.960 3.572 4.106 0.066 18 0 "[ . 1 . 2]" 1
460 1 24 ILE HB 1 27 GLN HB2 . . 4.180 3.087 2.573 3.509 . 0 0 "[ . 1 . 2]" 1
461 1 24 ILE HB 1 27 GLN HB3 . . 4.390 4.177 3.661 4.402 0.012 5 0 "[ . 1 . 2]" 1
462 1 24 ILE HB 1 27 GLN HG2 . . 4.240 2.666 1.974 3.941 . 0 0 "[ . 1 . 2]" 1
463 1 24 ILE HB 1 27 GLN QG . . 3.570 2.095 1.882 2.417 . 0 0 "[ . 1 . 2]" 1
464 1 24 ILE HB 1 27 GLN HG3 . . 4.240 2.363 2.002 3.706 . 0 0 "[ . 1 . 2]" 1
465 1 24 ILE MD 1 25 GLU H . . 4.740 4.298 2.939 4.758 0.018 17 0 "[ . 1 . 2]" 1
466 1 24 ILE MD 1 99 HIS QB . . 4.130 3.280 1.980 4.127 . 0 0 "[ . 1 . 2]" 1
467 1 24 ILE MD 1 99 HIS HD2 . . 4.190 3.124 2.049 4.187 . 0 0 "[ . 1 . 2]" 1
468 1 24 ILE QG 1 25 GLU H . . 4.840 3.971 3.633 4.533 . 0 0 "[ . 1 . 2]" 1
469 1 24 ILE QG 1 27 GLN QG . . 4.380 3.643 2.990 4.280 . 0 0 "[ . 1 . 2]" 1
470 1 24 ILE HG12 1 24 ILE MG . . 3.310 2.557 2.102 3.197 . 0 0 "[ . 1 . 2]" 1
471 1 24 ILE HG13 1 24 ILE MG . . 3.310 2.810 2.297 3.201 . 0 0 "[ . 1 . 2]" 1
472 1 24 ILE MG 1 25 GLU H . . 3.270 2.041 1.815 2.467 . 0 0 "[ . 1 . 2]" 1
473 1 24 ILE MG 1 25 GLU HA . . 4.380 3.898 3.755 4.172 . 0 0 "[ . 1 . 2]" 1
474 1 24 ILE MG 1 25 GLU QB . . 3.770 3.055 2.892 3.221 . 0 0 "[ . 1 . 2]" 1
475 1 24 ILE MG 1 26 GLY H . . 5.260 4.588 4.125 5.072 . 0 0 "[ . 1 . 2]" 1
476 1 24 ILE MG 1 27 GLN H . . 4.390 3.680 3.315 4.242 . 0 0 "[ . 1 . 2]" 1
477 1 24 ILE MG 1 27 GLN HB2 . . 4.500 3.975 3.472 4.423 . 0 0 "[ . 1 . 2]" 1
478 1 24 ILE MG 1 27 GLN HB3 . . 5.410 5.145 4.659 5.416 0.006 10 0 "[ . 1 . 2]" 1
479 1 24 ILE MG 1 27 GLN QE . . 4.510 3.939 2.006 4.506 . 0 0 "[ . 1 . 2]" 1
480 1 24 ILE MG 1 27 GLN HG2 . . 4.180 3.258 2.431 4.182 0.002 17 0 "[ . 1 . 2]" 1
481 1 24 ILE MG 1 27 GLN QG . . 3.600 2.911 2.390 3.166 . 0 0 "[ . 1 . 2]" 1
482 1 24 ILE MG 1 27 GLN HG3 . . 4.180 3.610 2.731 4.252 0.072 18 0 "[ . 1 . 2]" 1
483 1 24 ILE MG 1 99 HIS HB2 . . 4.550 3.297 2.454 3.614 . 0 0 "[ . 1 . 2]" 1
484 1 24 ILE MG 1 99 HIS HB3 . . 4.550 4.188 3.514 4.524 . 0 0 "[ . 1 . 2]" 1
485 1 24 ILE MG 1 99 HIS HD2 . . 4.770 4.583 4.251 4.771 0.001 10 0 "[ . 1 . 2]" 1
486 1 25 GLU H 1 25 GLU QB . . 2.980 2.228 2.156 2.266 . 0 0 "[ . 1 . 2]" 1
487 1 25 GLU H 1 25 GLU HG2 . . 4.610 4.482 4.400 4.601 . 0 0 "[ . 1 . 2]" 1
488 1 25 GLU H 1 25 GLU HG3 . . 4.610 4.426 4.184 4.621 0.011 15 0 "[ . 1 . 2]" 1
489 1 25 GLU H 1 26 GLY H . . 4.570 4.484 4.323 4.600 0.030 4 0 "[ . 1 . 2]" 1
490 1 25 GLU H 1 98 VAL MG1 . . 3.790 3.373 2.867 3.684 . 0 0 "[ . 1 . 2]" 1
491 1 25 GLU H 1 99 HIS H . . 4.480 4.259 3.418 4.490 0.010 5 0 "[ . 1 . 2]" 1
492 1 25 GLU HA 1 25 GLU HG2 . . 3.920 2.856 2.447 3.339 . 0 0 "[ . 1 . 2]" 1
493 1 25 GLU HA 1 25 GLU QG . . 3.410 2.407 2.209 2.533 . 0 0 "[ . 1 . 2]" 1
494 1 25 GLU HA 1 25 GLU HG3 . . 3.920 2.850 2.264 3.622 . 0 0 "[ . 1 . 2]" 1
495 1 25 GLU HA 1 26 GLY H . . 3.100 2.162 2.142 2.188 . 0 0 "[ . 1 . 2]" 1
496 1 25 GLU HA 1 26 GLY QA . . 4.380 3.918 3.892 3.954 . 0 0 "[ . 1 . 2]" 1
497 1 25 GLU HA 1 27 GLN H . . 3.890 3.573 3.276 3.781 . 0 0 "[ . 1 . 2]" 1
498 1 25 GLU HA 1 71 ALA MB . . 3.900 3.468 3.080 3.831 . 0 0 "[ . 1 . 2]" 1
499 1 25 GLU HA 1 98 VAL MG1 . . 3.230 2.626 2.420 2.868 . 0 0 "[ . 1 . 2]" 1
500 1 25 GLU QB 1 26 GLY H . . 4.040 3.804 3.660 3.961 . 0 0 "[ . 1 . 2]" 1
501 1 25 GLU QB 1 98 VAL MG1 . . 3.480 3.189 2.769 3.478 . 0 0 "[ . 1 . 2]" 1
502 1 25 GLU QG 1 72 LEU HA . . 4.770 2.994 2.382 3.355 . 0 0 "[ . 1 . 2]" 1
503 1 25 GLU QG 1 72 LEU MD2 . . 3.460 3.145 2.417 3.459 . 0 0 "[ . 1 . 2]" 1
504 1 25 GLU QG 1 73 PRO HD3 . . 4.350 2.147 1.871 2.501 . 0 0 "[ . 1 . 2]" 1
505 1 25 GLU QG 1 98 VAL MG1 . . 3.670 3.483 2.988 3.673 0.003 4 0 "[ . 1 . 2]" 1
506 1 25 GLU HG2 1 26 GLY H . . 4.150 3.138 2.443 3.898 . 0 0 "[ . 1 . 2]" 1
507 1 25 GLU HG2 1 72 LEU MD2 . . 3.950 3.589 2.563 3.943 . 0 0 "[ . 1 . 2]" 1
508 1 25 GLU HG3 1 26 GLY H . . 4.150 3.781 3.132 4.163 0.013 5 0 "[ . 1 . 2]" 1
509 1 25 GLU HG3 1 72 LEU MD2 . . 3.950 3.582 2.867 3.953 0.003 15 0 "[ . 1 . 2]" 1
510 1 26 GLY H 1 27 GLN H . . 3.410 2.566 2.003 3.114 . 0 0 "[ . 1 . 2]" 1
511 1 26 GLY H 1 70 ASP HA . . 4.920 4.093 3.700 4.383 . 0 0 "[ . 1 . 2]" 1
512 1 26 GLY H 1 71 ALA H . . 4.170 3.812 3.456 4.165 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLY H 1 71 ALA MB . . 3.580 3.198 2.684 3.563 . 0 0 "[ . 1 . 2]" 1
514 1 26 GLY H 1 72 LEU MD2 . . 4.910 4.350 3.827 4.909 . 0 0 "[ . 1 . 2]" 1
515 1 26 GLY H 1 98 VAL MG1 . . 4.110 3.854 3.492 4.099 . 0 0 "[ . 1 . 2]" 1
516 1 26 GLY QA 1 70 ASP HA . . 4.460 2.860 2.373 3.383 . 0 0 "[ . 1 . 2]" 1
517 1 26 GLY QA 1 71 ALA H . . 4.840 4.065 3.745 4.538 . 0 0 "[ . 1 . 2]" 1
518 1 27 GLN H 1 27 GLN HB2 . . 3.280 2.296 2.200 2.428 . 0 0 "[ . 1 . 2]" 1
519 1 27 GLN H 1 27 GLN HB3 . . 3.640 3.548 3.496 3.597 . 0 0 "[ . 1 . 2]" 1
520 1 27 GLN H 1 27 GLN HG2 . . 4.330 3.020 2.297 3.875 . 0 0 "[ . 1 . 2]" 1
521 1 27 GLN H 1 27 GLN QG . . 3.540 2.819 2.271 3.558 0.018 18 0 "[ . 1 . 2]" 1
522 1 27 GLN H 1 27 GLN HG3 . . 4.330 3.814 2.687 4.276 . 0 0 "[ . 1 . 2]" 1
523 1 27 GLN H 1 70 ASP HA . . 4.910 4.789 4.433 4.908 . 0 0 "[ . 1 . 2]" 1
524 1 27 GLN H 1 71 ALA MB . . 3.890 3.411 2.936 3.791 . 0 0 "[ . 1 . 2]" 1
525 1 27 GLN H 1 98 VAL MG1 . . 4.980 4.670 4.225 4.900 . 0 0 "[ . 1 . 2]" 1
526 1 27 GLN HA 1 27 GLN HG2 . . 3.770 2.794 2.215 3.687 . 0 0 "[ . 1 . 2]" 1
527 1 27 GLN HA 1 27 GLN HG3 . . 3.770 3.529 2.719 3.750 . 0 0 "[ . 1 . 2]" 1
528 1 27 GLN HA 1 28 ASP H . . 2.960 2.533 2.433 2.637 . 0 0 "[ . 1 . 2]" 1
529 1 27 GLN HB2 1 28 ASP H . . 3.780 3.574 3.356 3.757 . 0 0 "[ . 1 . 2]" 1
530 1 27 GLN HB2 1 71 ALA MB . . 4.620 3.678 3.317 3.939 . 0 0 "[ . 1 . 2]" 1
531 1 27 GLN HB3 1 28 ASP H . . 3.480 2.166 1.945 2.365 . 0 0 "[ . 1 . 2]" 1
532 1 27 GLN HB3 1 71 ALA MB . . 4.550 4.406 4.215 4.551 0.001 4 0 "[ . 1 . 2]" 1
533 1 27 GLN QG 1 28 ASP H . . 4.140 3.861 3.368 4.132 . 0 0 "[ . 1 . 2]" 1
534 1 27 GLN QG 1 71 ALA MB . . 5.340 4.981 4.605 5.216 . 0 0 "[ . 1 . 2]" 1
535 1 27 GLN HG2 1 28 ASP H . . 4.730 4.390 3.475 4.698 . 0 0 "[ . 1 . 2]" 1
536 1 27 GLN HG3 1 28 ASP H . . 4.730 4.370 3.526 4.651 . 0 0 "[ . 1 . 2]" 1
537 1 28 ASP H 1 28 ASP HB2 . . 4.010 3.446 2.655 3.799 . 0 0 "[ . 1 . 2]" 1
538 1 28 ASP H 1 28 ASP QB . . 3.270 2.841 2.304 3.182 . 0 0 "[ . 1 . 2]" 1
539 1 28 ASP H 1 28 ASP HB3 . . 4.010 3.186 2.361 3.837 . 0 0 "[ . 1 . 2]" 1
540 1 28 ASP HA 1 29 PHE H . . 3.000 2.242 2.139 2.345 . 0 0 "[ . 1 . 2]" 1
541 1 28 ASP HA 1 29 PHE QD . . 4.640 3.919 3.656 4.343 . 0 0 "[ . 1 . 2]" 1
542 1 28 ASP HA 1 69 GLN HA . . 3.690 2.621 2.308 2.962 . 0 0 "[ . 1 . 2]" 1
543 1 28 ASP HA 1 70 ASP H . . 3.860 3.472 3.230 3.672 . 0 0 "[ . 1 . 2]" 1
544 1 28 ASP HA 1 71 ALA H . . 4.300 3.320 2.902 3.650 . 0 0 "[ . 1 . 2]" 1
545 1 28 ASP QB 1 29 PHE H . . 3.460 2.987 2.531 3.427 . 0 0 "[ . 1 . 2]" 1
546 1 28 ASP QB 1 69 GLN HA . . 3.930 2.533 1.970 3.160 . 0 0 "[ . 1 . 2]" 1
547 1 28 ASP QB 1 69 GLN HB2 . . 4.710 3.537 2.776 4.158 . 0 0 "[ . 1 . 2]" 1
548 1 28 ASP QB 1 69 GLN HB3 . . 4.550 3.538 2.856 4.075 . 0 0 "[ . 1 . 2]" 1
549 1 28 ASP QB 1 70 ASP H . . 4.650 3.425 2.755 4.260 . 0 0 "[ . 1 . 2]" 1
550 1 28 ASP HB2 1 29 PHE H . . 4.250 3.298 2.572 3.932 . 0 0 "[ . 1 . 2]" 1
551 1 28 ASP HB2 1 69 GLN HA . . 4.710 3.185 2.167 4.455 . 0 0 "[ . 1 . 2]" 1
552 1 28 ASP HB3 1 29 PHE H . . 4.250 3.769 2.758 4.246 . 0 0 "[ . 1 . 2]" 1
553 1 28 ASP HB3 1 69 GLN HA . . 4.710 2.911 2.110 4.496 . 0 0 "[ . 1 . 2]" 1
554 1 29 PHE H 1 29 PHE QB . . 3.870 3.027 2.812 3.174 . 0 0 "[ . 1 . 2]" 1
555 1 29 PHE H 1 29 PHE QD . . 3.670 3.169 2.709 3.534 . 0 0 "[ . 1 . 2]" 1
556 1 29 PHE H 1 30 VAL H . . 4.510 4.239 4.060 4.494 . 0 0 "[ . 1 . 2]" 1
557 1 29 PHE H 1 30 VAL QG . . 4.770 4.601 4.078 4.777 0.007 6 0 "[ . 1 . 2]" 1
558 1 29 PHE H 1 68 ILE H . . 3.990 3.509 3.140 3.911 . 0 0 "[ . 1 . 2]" 1
559 1 29 PHE H 1 68 ILE HB . . 4.140 3.522 3.228 3.764 . 0 0 "[ . 1 . 2]" 1
560 1 29 PHE H 1 68 ILE MG . . 4.520 4.105 3.727 4.467 . 0 0 "[ . 1 . 2]" 1
561 1 29 PHE H 1 69 GLN HA . . 4.160 3.634 3.401 3.971 . 0 0 "[ . 1 . 2]" 1
562 1 29 PHE H 1 70 ASP H . . 5.500 5.303 5.142 5.447 . 0 0 "[ . 1 . 2]" 1
563 1 29 PHE HA 1 29 PHE QD . . 4.110 3.650 3.547 3.710 . 0 0 "[ . 1 . 2]" 1
564 1 29 PHE HA 1 30 VAL H . . 2.890 2.179 2.148 2.255 . 0 0 "[ . 1 . 2]" 1
565 1 29 PHE HA 1 30 VAL QG . . 4.360 3.429 3.248 3.616 . 0 0 "[ . 1 . 2]" 1
566 1 29 PHE QB 1 30 VAL H . . 3.300 3.103 2.799 3.275 . 0 0 "[ . 1 . 2]" 1
567 1 29 PHE QB 1 30 VAL QG . . 5.170 4.367 4.227 4.461 . 0 0 "[ . 1 . 2]" 1
568 1 29 PHE QD 1 30 VAL H . . 3.840 3.502 3.227 3.690 . 0 0 "[ . 1 . 2]" 1
569 1 29 PHE QD 1 30 VAL HB . . 5.500 5.344 5.059 5.496 . 0 0 "[ . 1 . 2]" 1
570 1 29 PHE QD 1 31 LEU H . . 4.650 3.104 2.658 3.671 . 0 0 "[ . 1 . 2]" 1
571 1 29 PHE QD 1 31 LEU QD . . 3.380 3.016 2.651 3.364 . 0 0 "[ . 1 . 2]" 1
572 1 29 PHE QD 1 31 LEU HG . . 4.300 2.551 2.166 2.898 . 0 0 "[ . 1 . 2]" 1
573 1 29 PHE QD 1 68 ILE H . . 4.820 4.512 4.011 4.822 0.002 5 0 "[ . 1 . 2]" 1
574 1 29 PHE QD 1 68 ILE HB . . 4.410 3.592 3.355 3.836 . 0 0 "[ . 1 . 2]" 1
575 1 29 PHE QD 1 68 ILE MG . . 4.430 3.771 3.262 4.095 . 0 0 "[ . 1 . 2]" 1
576 1 29 PHE QD 1 71 ALA MB . . 3.240 2.218 1.933 2.545 . 0 0 "[ . 1 . 2]" 1
577 1 29 PHE QE 1 31 LEU MD1 . . 4.310 2.216 1.956 2.529 . 0 0 "[ . 1 . 2]" 1
578 1 29 PHE QE 1 31 LEU QD . . 3.380 2.130 1.935 2.325 . 0 0 "[ . 1 . 2]" 1
579 1 29 PHE QE 1 31 LEU MD2 . . 4.310 3.034 2.099 3.590 . 0 0 "[ . 1 . 2]" 1
580 1 29 PHE QE 1 31 LEU HG . . 4.250 2.204 2.001 2.494 . 0 0 "[ . 1 . 2]" 1
581 1 29 PHE QE 1 68 ILE QG . . 4.590 3.038 2.326 3.555 . 0 0 "[ . 1 . 2]" 1
582 1 29 PHE QE 1 68 ILE MG . . 3.390 2.712 2.156 3.087 . 0 0 "[ . 1 . 2]" 1
583 1 29 PHE QE 1 71 ALA MB . . 3.260 2.212 2.012 2.420 . 0 0 "[ . 1 . 2]" 1
584 1 29 PHE QE 1 96 VAL QG . . 4.220 2.854 2.463 3.239 . 0 0 "[ . 1 . 2]" 1
585 1 29 PHE HZ 1 31 LEU MD1 . . 5.100 3.678 3.305 4.114 . 0 0 "[ . 1 . 2]" 1
586 1 29 PHE HZ 1 31 LEU QD . . 4.410 3.543 3.264 3.741 . 0 0 "[ . 1 . 2]" 1
587 1 29 PHE HZ 1 31 LEU MD2 . . 5.100 4.743 4.063 5.090 . 0 0 "[ . 1 . 2]" 1
588 1 29 PHE HZ 1 68 ILE MD . . 4.990 4.362 3.772 4.845 . 0 0 "[ . 1 . 2]" 1
589 1 29 PHE HZ 1 68 ILE HG12 . . 4.740 4.489 4.025 4.739 . 0 0 "[ . 1 . 2]" 1
590 1 29 PHE HZ 1 68 ILE HG13 . . 4.740 3.063 2.536 3.479 . 0 0 "[ . 1 . 2]" 1
591 1 29 PHE HZ 1 68 ILE MG . . 4.030 2.939 2.423 3.445 . 0 0 "[ . 1 . 2]" 1
592 1 29 PHE HZ 1 71 ALA MB . . 4.530 4.376 4.187 4.524 . 0 0 "[ . 1 . 2]" 1
593 1 29 PHE HZ 1 96 VAL QG . . 3.810 2.929 2.253 3.453 . 0 0 "[ . 1 . 2]" 1
594 1 30 VAL H 1 30 VAL HB . . 3.310 3.109 2.609 3.316 0.006 6 0 "[ . 1 . 2]" 1
595 1 30 VAL H 1 30 VAL MG1 . . 4.250 2.304 1.877 3.906 . 0 0 "[ . 1 . 2]" 1
596 1 30 VAL H 1 30 VAL QG . . 3.290 2.079 1.873 2.851 . 0 0 "[ . 1 . 2]" 1
597 1 30 VAL H 1 30 VAL MG2 . . 4.250 3.614 2.643 3.864 . 0 0 "[ . 1 . 2]" 1
598 1 30 VAL HB 1 31 LEU H . . 4.610 4.331 4.156 4.461 . 0 0 "[ . 1 . 2]" 1
599 1 30 VAL HB 1 67 HIS HD2 . . 5.500 4.805 4.310 5.450 . 0 0 "[ . 1 . 2]" 1
600 1 30 VAL QG 1 31 LEU H . . 3.280 2.914 2.481 3.241 . 0 0 "[ . 1 . 2]" 1
601 1 30 VAL QG 1 32 GLN H . . 4.580 3.888 3.604 4.429 . 0 0 "[ . 1 . 2]" 1
602 1 30 VAL QG 1 32 GLN HA . . 4.470 3.759 3.593 4.094 . 0 0 "[ . 1 . 2]" 1
603 1 30 VAL QG 1 32 GLN HB2 . . 3.580 3.107 2.801 3.465 . 0 0 "[ . 1 . 2]" 1
604 1 30 VAL QG 1 32 GLN HB3 . . 4.770 4.318 3.907 4.771 0.001 16 0 "[ . 1 . 2]" 1
605 1 30 VAL QG 1 32 GLN QG . . 4.290 4.107 3.950 4.286 . 0 0 "[ . 1 . 2]" 1
606 1 30 VAL QG 1 65 GLU HA . . 4.040 3.385 3.111 3.720 . 0 0 "[ . 1 . 2]" 1
607 1 30 VAL QG 1 65 GLU QB . . 2.970 2.158 1.945 2.473 . 0 0 "[ . 1 . 2]" 1
608 1 30 VAL QG 1 65 GLU HG2 . . 4.220 3.926 3.619 4.212 . 0 0 "[ . 1 . 2]" 1
609 1 30 VAL QG 1 65 GLU HG3 . . 4.750 4.403 3.860 4.694 . 0 0 "[ . 1 . 2]" 1
610 1 30 VAL QG 1 66 LEU H . . 3.720 2.357 1.925 2.729 . 0 0 "[ . 1 . 2]" 1
611 1 30 VAL QG 1 67 HIS HA . . 3.670 2.379 1.924 2.761 . 0 0 "[ . 1 . 2]" 1
612 1 30 VAL QG 1 67 HIS QB . . 3.920 3.350 2.678 3.754 . 0 0 "[ . 1 . 2]" 1
613 1 30 VAL QG 1 67 HIS HD2 . . 3.860 2.887 2.443 3.260 . 0 0 "[ . 1 . 2]" 1
614 1 30 VAL QG 1 68 ILE H . . 4.320 3.593 2.518 3.993 . 0 0 "[ . 1 . 2]" 1
615 1 30 VAL MG1 1 31 LEU H . . 4.380 4.009 3.001 4.298 . 0 0 "[ . 1 . 2]" 1
616 1 30 VAL MG1 1 67 HIS HA . . 4.470 3.551 2.251 3.912 . 0 0 "[ . 1 . 2]" 1
617 1 30 VAL MG1 1 67 HIS QB . . 4.730 4.397 3.570 4.698 . 0 0 "[ . 1 . 2]" 1
618 1 30 VAL MG1 1 67 HIS HD2 . . 5.360 4.610 2.462 5.342 . 0 0 "[ . 1 . 2]" 1
619 1 30 VAL MG1 1 67 HIS HE1 . . 4.090 3.557 2.947 4.052 . 0 0 "[ . 1 . 2]" 1
620 1 30 VAL MG2 1 31 LEU H . . 4.380 3.180 2.500 4.297 . 0 0 "[ . 1 . 2]" 1
621 1 30 VAL MG2 1 67 HIS HA . . 4.470 2.434 1.949 2.843 . 0 0 "[ . 1 . 2]" 1
622 1 30 VAL MG2 1 67 HIS QB . . 4.730 3.485 2.735 3.949 . 0 0 "[ . 1 . 2]" 1
623 1 30 VAL MG2 1 67 HIS HD2 . . 5.360 3.134 2.645 4.102 . 0 0 "[ . 1 . 2]" 1
624 1 30 VAL MG2 1 67 HIS HE1 . . 4.090 3.527 2.899 4.052 . 0 0 "[ . 1 . 2]" 1
625 1 31 LEU H 1 31 LEU QB . . 3.640 2.457 2.285 2.618 . 0 0 "[ . 1 . 2]" 1
626 1 31 LEU H 1 31 LEU MD1 . . 4.210 3.276 3.130 3.566 . 0 0 "[ . 1 . 2]" 1
627 1 31 LEU H 1 31 LEU MD2 . . 4.210 3.648 3.433 3.860 . 0 0 "[ . 1 . 2]" 1
628 1 31 LEU H 1 31 LEU HG . . 3.850 2.257 1.941 2.664 . 0 0 "[ . 1 . 2]" 1
629 1 31 LEU H 1 65 GLU HA . . 5.240 5.051 4.858 5.241 0.001 14 0 "[ . 1 . 2]" 1
630 1 31 LEU H 1 66 LEU H . . 3.610 3.274 2.988 3.455 . 0 0 "[ . 1 . 2]" 1
631 1 31 LEU H 1 66 LEU QB . . 4.710 3.159 2.905 3.391 . 0 0 "[ . 1 . 2]" 1
632 1 31 LEU HA 1 31 LEU MD1 . . 4.470 3.930 3.869 3.996 . 0 0 "[ . 1 . 2]" 1
633 1 31 LEU HA 1 31 LEU QD . . 3.230 2.325 1.976 2.515 . 0 0 "[ . 1 . 2]" 1
634 1 31 LEU HA 1 31 LEU MD2 . . 4.470 2.344 1.982 2.544 . 0 0 "[ . 1 . 2]" 1
635 1 31 LEU HA 1 32 GLN H . . 2.960 2.157 2.141 2.245 . 0 0 "[ . 1 . 2]" 1
636 1 31 LEU QB 1 32 GLN H . . 3.680 3.430 2.793 3.603 . 0 0 "[ . 1 . 2]" 1
637 1 31 LEU QB 1 45 TRP HH2 . . 4.090 2.743 2.415 2.944 . 0 0 "[ . 1 . 2]" 1
638 1 31 LEU QB 1 45 TRP HZ3 . . 4.690 2.781 2.492 2.994 . 0 0 "[ . 1 . 2]" 1
639 1 31 LEU QB 1 66 LEU H . . 4.050 3.251 3.017 3.502 . 0 0 "[ . 1 . 2]" 1
640 1 31 LEU QB 1 66 LEU HB2 . . 4.260 3.824 3.241 4.250 . 0 0 "[ . 1 . 2]" 1
641 1 31 LEU QB 1 66 LEU HB3 . . 4.260 2.589 2.072 2.997 . 0 0 "[ . 1 . 2]" 1
642 1 31 LEU QB 1 79 TYR QB . . 5.340 4.366 4.136 4.690 . 0 0 "[ . 1 . 2]" 1
643 1 31 LEU QD 1 32 GLN H . . 4.040 3.778 3.422 4.025 . 0 0 "[ . 1 . 2]" 1
644 1 31 LEU QD 1 45 TRP HE3 . . 4.580 3.319 2.952 3.669 . 0 0 "[ . 1 . 2]" 1
645 1 31 LEU QD 1 45 TRP HH2 . . 4.760 3.631 3.300 3.890 . 0 0 "[ . 1 . 2]" 1
646 1 31 LEU QD 1 45 TRP HZ3 . . 4.520 2.315 2.101 2.761 . 0 0 "[ . 1 . 2]" 1
647 1 31 LEU QD 1 66 LEU H . . 4.890 4.405 3.879 4.696 . 0 0 "[ . 1 . 2]" 1
648 1 31 LEU QD 1 79 TYR HA . . 5.010 4.661 4.199 4.945 . 0 0 "[ . 1 . 2]" 1
649 1 31 LEU QD 1 79 TYR QB . . 3.240 2.502 2.100 2.865 . 0 0 "[ . 1 . 2]" 1
650 1 31 LEU QD 1 79 TYR QD . . 3.900 2.810 2.105 3.031 . 0 0 "[ . 1 . 2]" 1
651 1 31 LEU QD 1 94 ALA MB . . 3.270 3.050 2.773 3.256 . 0 0 "[ . 1 . 2]" 1
652 1 31 LEU QD 1 96 VAL HB . . 4.360 3.951 3.598 4.288 . 0 0 "[ . 1 . 2]" 1
653 1 31 LEU QD 1 96 VAL QG . . 3.320 1.980 1.748 2.141 . 0 0 "[ . 1 . 2]" 1
654 1 31 LEU MD1 1 79 TYR HB2 . . 4.940 2.763 2.388 3.293 . 0 0 "[ . 1 . 2]" 1
655 1 31 LEU MD1 1 79 TYR HB3 . . 4.940 2.984 2.360 3.334 . 0 0 "[ . 1 . 2]" 1
656 1 31 LEU MD1 1 94 ALA MB . . 4.080 3.668 3.311 3.901 . 0 0 "[ . 1 . 2]" 1
657 1 31 LEU MD2 1 79 TYR HB2 . . 4.940 3.950 3.477 4.195 . 0 0 "[ . 1 . 2]" 1
658 1 31 LEU MD2 1 79 TYR HB3 . . 4.940 4.753 4.177 4.915 . 0 0 "[ . 1 . 2]" 1
659 1 31 LEU MD2 1 94 ALA MB . . 4.080 3.269 2.929 3.487 . 0 0 "[ . 1 . 2]" 1
660 1 32 GLN H 1 32 GLN HB2 . . 3.820 2.876 2.736 3.100 . 0 0 "[ . 1 . 2]" 1
661 1 32 GLN H 1 32 GLN HB3 . . 3.710 2.589 2.485 2.835 . 0 0 "[ . 1 . 2]" 1
662 1 32 GLN H 1 33 CYS H . . 4.520 4.453 4.270 4.506 . 0 0 "[ . 1 . 2]" 1
663 1 32 GLN HA 1 33 CYS H . . 2.830 2.170 2.150 2.196 . 0 0 "[ . 1 . 2]" 1
664 1 32 GLN HA 1 45 TRP HH2 . . 4.530 4.444 4.280 4.527 . 0 0 "[ . 1 . 2]" 1
665 1 32 GLN HA 1 63 VAL QG . . 4.380 3.902 3.697 4.015 . 0 0 "[ . 1 . 2]" 1
666 1 32 GLN HA 1 64 ALA MB . . 5.380 4.885 4.655 5.242 . 0 0 "[ . 1 . 2]" 1
667 1 32 GLN HA 1 65 GLU HA . . 3.640 2.548 2.376 2.804 . 0 0 "[ . 1 . 2]" 1
668 1 32 GLN HA 1 65 GLU HG2 . . 4.760 2.483 2.110 3.340 . 0 0 "[ . 1 . 2]" 1
669 1 32 GLN HA 1 66 LEU H . . 4.140 3.965 3.788 4.139 . 0 0 "[ . 1 . 2]" 1
670 1 32 GLN HB2 1 32 GLN HE21 . . 4.660 4.067 3.299 4.609 . 0 0 "[ . 1 . 2]" 1
671 1 32 GLN HB2 1 33 CYS H . . 4.450 4.200 4.073 4.354 . 0 0 "[ . 1 . 2]" 1
672 1 32 GLN HB2 1 63 VAL QG . . 4.580 4.352 4.168 4.523 . 0 0 "[ . 1 . 2]" 1
673 1 32 GLN HB3 1 32 GLN HE21 . . 4.630 4.295 3.963 4.478 . 0 0 "[ . 1 . 2]" 1
674 1 32 GLN HB3 1 32 GLN HE22 . . 4.810 4.510 4.270 4.734 . 0 0 "[ . 1 . 2]" 1
675 1 32 GLN HB3 1 33 CYS H . . 4.150 4.087 4.028 4.139 . 0 0 "[ . 1 . 2]" 1
676 1 32 GLN HB3 1 63 VAL QG . . 4.710 4.577 4.332 4.711 0.001 15 0 "[ . 1 . 2]" 1
677 1 32 GLN HE21 1 63 VAL QG . . 3.670 2.139 1.734 2.953 . 0 0 "[ . 1 . 2]" 1
678 1 32 GLN HE21 1 65 GLU HG2 . . 4.810 3.997 3.537 4.520 . 0 0 "[ . 1 . 2]" 1
679 1 32 GLN HE21 1 65 GLU HG3 . . 5.030 4.527 3.726 5.007 . 0 0 "[ . 1 . 2]" 1
680 1 32 GLN HE22 1 63 VAL QG . . 3.780 3.260 2.762 3.705 . 0 0 "[ . 1 . 2]" 1
681 1 32 GLN QG 1 33 CYS H . . 3.600 2.561 2.403 2.835 . 0 0 "[ . 1 . 2]" 1
682 1 32 GLN QG 1 63 VAL QG . . 3.170 2.297 2.143 2.423 . 0 0 "[ . 1 . 2]" 1
683 1 32 GLN HG2 1 33 CYS H . . 4.130 2.682 2.423 3.099 . 0 0 "[ . 1 . 2]" 1
684 1 32 GLN HG3 1 33 CYS H . . 4.130 3.418 2.953 4.124 . 0 0 "[ . 1 . 2]" 1
685 1 33 CYS H 1 33 CYS HG . . 3.650 2.758 2.205 3.507 . 0 0 "[ . 1 . 2]" 1
686 1 33 CYS H 1 34 SER H . . 4.590 4.397 4.377 4.423 . 0 0 "[ . 1 . 2]" 1
687 1 33 CYS H 1 45 TRP HH2 . . 4.770 4.548 4.368 4.720 . 0 0 "[ . 1 . 2]" 1
688 1 33 CYS H 1 45 TRP HZ2 . . 4.920 4.875 4.754 4.922 0.002 5 0 "[ . 1 . 2]" 1
689 1 33 CYS H 1 63 VAL HA . . 4.680 4.543 4.351 4.678 . 0 0 "[ . 1 . 2]" 1
690 1 33 CYS H 1 63 VAL QG . . 3.520 3.186 2.771 3.417 . 0 0 "[ . 1 . 2]" 1
691 1 33 CYS H 1 64 ALA MB . . 4.380 3.845 3.557 4.308 . 0 0 "[ . 1 . 2]" 1
692 1 33 CYS H 1 65 GLU HA . . 4.030 3.614 3.425 3.805 . 0 0 "[ . 1 . 2]" 1
693 1 33 CYS HA 1 34 SER H . . 3.130 2.449 2.284 2.646 . 0 0 "[ . 1 . 2]" 1
694 1 33 CYS HB2 1 34 SER H . . 3.390 2.373 1.982 2.781 . 0 0 "[ . 1 . 2]" 1
695 1 33 CYS HB3 1 34 SER H . . 4.060 3.729 3.419 4.037 . 0 0 "[ . 1 . 2]" 1
696 1 33 CYS HG 1 45 TRP HH2 . . 4.410 2.824 2.042 3.928 . 0 0 "[ . 1 . 2]" 1
697 1 33 CYS HG 1 45 TRP HZ2 . . 4.860 3.154 2.753 3.570 . 0 0 "[ . 1 . 2]" 1
698 1 33 CYS HG 1 64 ALA MB . . 3.430 2.544 2.082 3.285 . 0 0 "[ . 1 . 2]" 1
699 1 34 SER H 1 34 SER QB . . 3.530 2.516 2.390 2.715 . 0 0 "[ . 1 . 2]" 1
700 1 34 SER H 1 35 VAL H . . 4.560 4.349 4.164 4.485 . 0 0 "[ . 1 . 2]" 1
701 1 34 SER H 1 35 VAL QG . . 4.860 4.545 3.640 4.861 0.001 16 0 "[ . 1 . 2]" 1
702 1 34 SER HA 1 35 VAL H . . 2.860 2.149 2.138 2.191 . 0 0 "[ . 1 . 2]" 1
703 1 34 SER HA 1 35 VAL HB . . 5.070 4.711 4.527 4.899 . 0 0 "[ . 1 . 2]" 1
704 1 34 SER HA 1 35 VAL QG . . 3.870 3.499 3.287 3.682 . 0 0 "[ . 1 . 2]" 1
705 1 34 SER HA 1 63 VAL H . . 5.500 5.219 4.392 5.454 . 0 0 "[ . 1 . 2]" 1
706 1 34 SER HA 1 63 VAL HA . . 3.610 2.637 2.001 2.918 . 0 0 "[ . 1 . 2]" 1
707 1 34 SER HA 1 63 VAL MG1 . . 4.550 3.814 3.435 4.540 . 0 0 "[ . 1 . 2]" 1
708 1 34 SER HA 1 63 VAL QG . . 3.730 3.181 2.770 3.522 . 0 0 "[ . 1 . 2]" 1
709 1 34 SER HA 1 63 VAL MG2 . . 4.550 3.434 2.795 3.875 . 0 0 "[ . 1 . 2]" 1
710 1 34 SER HA 1 64 ALA H . . 3.810 3.536 2.950 3.636 . 0 0 "[ . 1 . 2]" 1
711 1 34 SER HA 1 64 ALA MB . . 5.330 4.668 4.134 4.932 . 0 0 "[ . 1 . 2]" 1
712 1 34 SER QB 1 35 VAL H . . 3.880 3.553 3.118 3.857 . 0 0 "[ . 1 . 2]" 1
713 1 34 SER QB 1 63 VAL HA . . 4.660 4.416 3.697 4.624 . 0 0 "[ . 1 . 2]" 1
714 1 34 SER QB 1 63 VAL QG . . 4.240 3.736 3.112 4.047 . 0 0 "[ . 1 . 2]" 1
715 1 34 SER QB 1 64 ALA H . . 5.500 5.441 4.943 5.503 0.003 4 0 "[ . 1 . 2]" 1
716 1 35 VAL H 1 35 VAL HB . . 3.750 3.281 2.724 3.467 . 0 0 "[ . 1 . 2]" 1
717 1 35 VAL H 1 35 VAL QG . . 3.290 2.229 1.921 2.745 . 0 0 "[ . 1 . 2]" 1
718 1 35 VAL H 1 36 ARG H . . 4.540 4.250 4.044 4.429 . 0 0 "[ . 1 . 2]" 1
719 1 35 VAL H 1 62 GLY HA2 . . 4.480 4.209 3.868 4.472 . 0 0 "[ . 1 . 2]" 1
720 1 35 VAL H 1 62 GLY QA . . 3.840 3.655 3.442 3.836 . 0 0 "[ . 1 . 2]" 1
721 1 35 VAL H 1 62 GLY HA3 . . 4.480 4.019 3.729 4.236 . 0 0 "[ . 1 . 2]" 1
722 1 35 VAL H 1 63 VAL HA . . 3.930 3.229 2.447 3.798 . 0 0 "[ . 1 . 2]" 1
723 1 35 VAL H 1 63 VAL QG . . 4.680 4.025 3.727 4.406 . 0 0 "[ . 1 . 2]" 1
724 1 35 VAL HA 1 36 ARG H . . 2.890 2.161 2.140 2.206 . 0 0 "[ . 1 . 2]" 1
725 1 35 VAL HB 1 36 ARG H . . 4.240 4.115 3.913 4.241 0.001 14 0 "[ . 1 . 2]" 1
726 1 35 VAL QG 1 36 ARG H . . 3.400 2.485 2.243 2.772 . 0 0 "[ . 1 . 2]" 1
727 1 35 VAL QG 1 36 ARG HA . . 4.630 3.478 3.116 4.111 . 0 0 "[ . 1 . 2]" 1
728 1 35 VAL QG 1 41 PRO HB2 . . 3.940 3.735 3.429 3.942 0.002 15 0 "[ . 1 . 2]" 1
729 1 35 VAL QG 1 41 PRO HB3 . . 4.500 4.191 3.737 4.394 . 0 0 "[ . 1 . 2]" 1
730 1 35 VAL QG 1 41 PRO HD2 . . 3.970 3.602 3.224 3.872 . 0 0 "[ . 1 . 2]" 1
731 1 35 VAL QG 1 41 PRO HD3 . . 4.620 4.048 3.677 4.280 . 0 0 "[ . 1 . 2]" 1
732 1 35 VAL QG 1 41 PRO HG2 . . 3.390 2.557 2.211 2.818 . 0 0 "[ . 1 . 2]" 1
733 1 35 VAL QG 1 41 PRO HG3 . . 3.680 2.570 2.048 2.809 . 0 0 "[ . 1 . 2]" 1
734 1 35 VAL QG 1 62 GLY QA . . 3.960 3.131 2.676 3.961 0.001 18 0 "[ . 1 . 2]" 1
735 1 35 VAL QG 1 63 VAL HA . . 4.420 3.640 3.251 4.032 . 0 0 "[ . 1 . 2]" 1
736 1 35 VAL QG 1 64 ALA H . . 4.040 2.585 2.129 3.026 . 0 0 "[ . 1 . 2]" 1
737 1 35 VAL QG 1 64 ALA HA . . 4.760 4.170 3.721 4.763 0.003 15 0 "[ . 1 . 2]" 1
738 1 35 VAL QG 1 83 ALA MB . . 2.870 2.208 1.800 2.561 . 0 0 "[ . 1 . 2]" 1
739 1 36 ARG H 1 36 ARG QB . . 3.550 2.604 2.345 3.122 . 0 0 "[ . 1 . 2]" 1
740 1 36 ARG H 1 36 ARG QG . . 3.710 2.684 1.875 3.235 . 0 0 "[ . 1 . 2]" 1
741 1 36 ARG H 1 37 GLY H . . 4.860 4.492 4.433 4.575 . 0 0 "[ . 1 . 2]" 1
742 1 36 ARG HA 1 36 ARG QG . . 3.730 2.560 2.319 3.247 . 0 0 "[ . 1 . 2]" 1
743 1 36 ARG HA 1 37 GLY H . . 3.520 2.453 2.325 2.604 . 0 0 "[ . 1 . 2]" 1
744 1 36 ARG QB 1 36 ARG QD . . 3.250 2.269 2.068 2.598 . 0 0 "[ . 1 . 2]" 1
745 1 36 ARG QB 1 37 GLY H . . 3.160 2.326 2.004 2.593 . 0 0 "[ . 1 . 2]" 1
746 1 36 ARG QB 1 37 GLY HA2 . . 4.670 3.772 3.630 3.853 . 0 0 "[ . 1 . 2]" 1
747 1 36 ARG HB2 1 37 GLY H . . 3.740 3.396 2.073 3.735 . 0 0 "[ . 1 . 2]" 1
748 1 36 ARG HB2 1 37 GLY HA3 . . 5.500 4.920 4.278 5.180 . 0 0 "[ . 1 . 2]" 1
749 1 36 ARG HB3 1 37 GLY H . . 3.740 2.474 2.019 3.191 . 0 0 "[ . 1 . 2]" 1
750 1 36 ARG HB3 1 37 GLY HA3 . . 5.500 4.809 4.405 5.599 0.099 16 0 "[ . 1 . 2]" 1
751 1 36 ARG QG 1 37 GLY H . . 4.030 3.925 3.316 4.032 0.002 19 0 "[ . 1 . 2]" 1
752 1 37 GLY HA2 1 38 THR H . . 3.190 2.341 2.201 2.438 . 0 0 "[ . 1 . 2]" 1
753 1 37 GLY HA2 1 41 PRO HG3 . . 5.140 5.002 4.635 5.149 0.009 11 0 "[ . 1 . 2]" 1
754 1 37 GLY HA3 1 38 THR H . . 3.420 2.823 2.694 3.028 . 0 0 "[ . 1 . 2]" 1
755 1 37 GLY HA3 1 41 PRO HB3 . . 5.500 4.275 3.987 4.508 . 0 0 "[ . 1 . 2]" 1
756 1 37 GLY HA3 1 41 PRO HG2 . . 5.500 4.818 4.426 4.982 . 0 0 "[ . 1 . 2]" 1
757 1 37 GLY HA3 1 41 PRO HG3 . . 4.300 3.308 2.940 3.493 . 0 0 "[ . 1 . 2]" 1
758 1 38 THR H 1 38 THR HB . . 3.560 2.876 2.534 3.132 . 0 0 "[ . 1 . 2]" 1
759 1 38 THR H 1 38 THR MG . . 4.130 3.891 3.742 4.040 . 0 0 "[ . 1 . 2]" 1
760 1 38 THR H 1 41 PRO HD3 . . 4.700 4.291 4.064 4.700 0.000 3 0 "[ . 1 . 2]" 1
761 1 38 THR H 1 85 ASN HD21 . . 3.900 2.790 2.276 3.382 . 0 0 "[ . 1 . 2]" 1
762 1 38 THR H 1 85 ASN HD22 . . 3.750 2.993 2.353 3.655 . 0 0 "[ . 1 . 2]" 1
763 1 38 THR HA 1 38 THR MG . . 3.040 2.440 2.251 2.540 . 0 0 "[ . 1 . 2]" 1
764 1 38 THR HA 1 39 PRO HA . . 3.530 1.986 1.958 2.032 . 0 0 "[ . 1 . 2]" 1
765 1 38 THR HA 1 39 PRO HB2 . . 4.690 4.247 4.246 4.251 . 0 0 "[ . 1 . 2]" 1
766 1 38 THR HA 1 39 PRO HG2 . . 4.970 4.790 4.773 4.805 . 0 0 "[ . 1 . 2]" 1
767 1 38 THR HA 1 40 VAL H . . 3.750 3.284 2.863 3.606 . 0 0 "[ . 1 . 2]" 1
768 1 38 THR HA 1 41 PRO HD3 . . 5.500 4.277 4.028 4.486 . 0 0 "[ . 1 . 2]" 1
769 1 38 THR HA 1 85 ASN HD21 . . 4.770 3.903 3.576 4.200 . 0 0 "[ . 1 . 2]" 1
770 1 38 THR MG 1 39 PRO HA . . 3.300 2.127 1.991 2.214 . 0 0 "[ . 1 . 2]" 1
771 1 38 THR MG 1 39 PRO HB2 . . 4.790 4.350 4.195 4.443 . 0 0 "[ . 1 . 2]" 1
772 1 38 THR MG 1 39 PRO HB3 . . 4.520 3.375 3.199 3.570 . 0 0 "[ . 1 . 2]" 1
773 1 38 THR MG 1 39 PRO HD2 . . 4.410 4.106 3.961 4.379 . 0 0 "[ . 1 . 2]" 1
774 1 38 THR MG 1 39 PRO HD3 . . 4.550 3.249 3.093 3.516 . 0 0 "[ . 1 . 2]" 1
775 1 39 PRO HA 1 40 VAL H . . 2.990 2.445 2.272 2.614 . 0 0 "[ . 1 . 2]" 1
776 1 39 PRO HB2 1 40 VAL H . . 3.590 2.514 2.120 2.973 . 0 0 "[ . 1 . 2]" 1
777 1 39 PRO HB2 1 40 VAL QG . . 4.130 3.924 3.379 4.126 . 0 0 "[ . 1 . 2]" 1
778 1 39 PRO HB3 1 40 VAL H . . 4.160 3.409 3.227 3.650 . 0 0 "[ . 1 . 2]" 1
779 1 39 PRO HD2 1 85 ASN HD21 . . 4.290 3.338 3.122 3.545 . 0 0 "[ . 1 . 2]" 1
780 1 39 PRO HD2 1 85 ASN HD22 . . 4.410 3.968 3.833 4.076 . 0 0 "[ . 1 . 2]" 1
781 1 39 PRO HD2 1 86 ALA MB . . 4.220 3.154 2.664 3.569 . 0 0 "[ . 1 . 2]" 1
782 1 39 PRO HD2 1 87 LEU QD . . 3.620 2.415 1.925 2.916 . 0 0 "[ . 1 . 2]" 1
783 1 39 PRO HD3 1 85 ASN HD21 . . 5.060 4.765 4.535 4.976 . 0 0 "[ . 1 . 2]" 1
784 1 39 PRO HD3 1 85 ASN HD22 . . 5.500 5.372 5.188 5.494 . 0 0 "[ . 1 . 2]" 1
785 1 39 PRO HD3 1 86 ALA MB . . 4.690 3.804 3.363 4.305 . 0 0 "[ . 1 . 2]" 1
786 1 39 PRO HD3 1 87 LEU QD . . 3.770 2.947 2.541 3.427 . 0 0 "[ . 1 . 2]" 1
787 1 39 PRO HG2 1 85 ASN HD22 . . 5.500 5.423 5.298 5.507 0.007 19 0 "[ . 1 . 2]" 1
788 1 40 VAL H 1 40 VAL HB . . 2.980 2.513 2.212 2.630 . 0 0 "[ . 1 . 2]" 1
789 1 40 VAL H 1 40 VAL MG1 . . 3.780 3.625 2.805 3.769 . 0 0 "[ . 1 . 2]" 1
790 1 40 VAL H 1 40 VAL QG . . 2.840 2.241 2.016 2.751 . 0 0 "[ . 1 . 2]" 1
791 1 40 VAL H 1 40 VAL MG2 . . 3.780 2.382 2.024 3.593 . 0 0 "[ . 1 . 2]" 1
792 1 40 VAL H 1 41 PRO HD2 . . 4.790 4.719 4.686 4.765 . 0 0 "[ . 1 . 2]" 1
793 1 40 VAL H 1 41 PRO HD3 . . 4.950 4.644 4.573 4.702 . 0 0 "[ . 1 . 2]" 1
794 1 40 VAL HA 1 40 VAL MG1 . . 3.250 2.500 2.322 3.158 . 0 0 "[ . 1 . 2]" 1
795 1 40 VAL HA 1 40 VAL MG2 . . 3.250 2.286 2.201 2.415 . 0 0 "[ . 1 . 2]" 1
796 1 40 VAL HA 1 41 PRO HB2 . . 5.500 5.450 5.443 5.464 . 0 0 "[ . 1 . 2]" 1
797 1 40 VAL HA 1 41 PRO HD2 . . 3.060 2.003 1.964 2.060 . 0 0 "[ . 1 . 2]" 1
798 1 40 VAL HA 1 41 PRO HD3 . . 3.050 2.305 2.272 2.339 . 0 0 "[ . 1 . 2]" 1
799 1 40 VAL HA 1 41 PRO HG2 . . 4.370 4.196 4.165 4.242 . 0 0 "[ . 1 . 2]" 1
800 1 40 VAL HA 1 41 PRO HG3 . . 4.360 4.317 4.315 4.323 . 0 0 "[ . 1 . 2]" 1
801 1 40 VAL HB 1 41 PRO HD2 . . 4.550 4.275 4.057 4.409 . 0 0 "[ . 1 . 2]" 1
802 1 40 VAL HB 1 41 PRO HD3 . . 5.250 5.026 4.866 5.092 . 0 0 "[ . 1 . 2]" 1
803 1 40 VAL QG 1 41 PRO HD2 . . 3.080 2.142 1.979 2.385 . 0 0 "[ . 1 . 2]" 1
804 1 40 VAL QG 1 41 PRO HD3 . . 3.620 3.360 3.264 3.458 . 0 0 "[ . 1 . 2]" 1
805 1 40 VAL QG 1 41 PRO HG2 . . 4.610 3.372 3.264 3.507 . 0 0 "[ . 1 . 2]" 1
806 1 40 VAL MG1 1 41 PRO HD2 . . 3.760 2.409 1.990 3.684 . 0 0 "[ . 1 . 2]" 1
807 1 40 VAL MG1 1 41 PRO HD3 . . 4.440 3.690 3.418 4.476 0.036 11 0 "[ . 1 . 2]" 1
808 1 40 VAL MG2 1 41 PRO HD2 . . 3.760 3.305 2.013 3.646 . 0 0 "[ . 1 . 2]" 1
809 1 40 VAL MG2 1 41 PRO HD3 . . 4.440 4.094 3.353 4.272 . 0 0 "[ . 1 . 2]" 1
810 1 41 PRO HA 1 42 ARG H . . 2.920 2.316 2.236 2.513 . 0 0 "[ . 1 . 2]" 1
811 1 41 PRO HA 1 42 ARG QB . . 4.560 4.317 4.276 4.368 . 0 0 "[ . 1 . 2]" 1
812 1 41 PRO HA 1 42 ARG QD . . 4.490 3.224 2.938 3.501 . 0 0 "[ . 1 . 2]" 1
813 1 41 PRO HA 1 83 ALA MB . . 4.960 4.606 4.379 4.876 . 0 0 "[ . 1 . 2]" 1
814 1 41 PRO HA 1 84 GLU H . . 4.340 4.075 3.806 4.338 . 0 0 "[ . 1 . 2]" 1
815 1 41 PRO HA 1 85 ASN HB2 . . 4.330 3.614 3.373 3.879 . 0 0 "[ . 1 . 2]" 1
816 1 41 PRO HA 1 85 ASN HB3 . . 3.850 2.394 2.203 2.527 . 0 0 "[ . 1 . 2]" 1
817 1 41 PRO HA 1 85 ASN HD21 . . 4.630 4.435 4.245 4.550 . 0 0 "[ . 1 . 2]" 1
818 1 41 PRO HB2 1 42 ARG H . . 3.750 2.853 2.347 3.096 . 0 0 "[ . 1 . 2]" 1
819 1 41 PRO HB2 1 43 ILE MD . . 3.960 3.322 3.193 3.543 . 0 0 "[ . 1 . 2]" 1
820 1 41 PRO HB2 1 83 ALA HA . . 4.510 2.715 2.508 3.016 . 0 0 "[ . 1 . 2]" 1
821 1 41 PRO HB2 1 83 ALA MB . . 3.280 2.311 2.070 2.603 . 0 0 "[ . 1 . 2]" 1
822 1 41 PRO HB2 1 84 GLU H . . 4.100 2.959 2.685 3.288 . 0 0 "[ . 1 . 2]" 1
823 1 41 PRO HB2 1 85 ASN HB3 . . 4.890 4.144 3.870 4.399 . 0 0 "[ . 1 . 2]" 1
824 1 41 PRO HB3 1 42 ARG H . . 3.910 3.585 3.325 3.722 . 0 0 "[ . 1 . 2]" 1
825 1 41 PRO HB3 1 43 ILE MD . . 5.010 4.692 4.572 4.916 . 0 0 "[ . 1 . 2]" 1
826 1 41 PRO HB3 1 83 ALA HA . . 4.510 4.224 4.042 4.386 . 0 0 "[ . 1 . 2]" 1
827 1 41 PRO HB3 1 83 ALA MB . . 3.660 3.209 2.899 3.499 . 0 0 "[ . 1 . 2]" 1
828 1 41 PRO HB3 1 84 GLU H . . 4.060 3.805 3.562 4.025 . 0 0 "[ . 1 . 2]" 1
829 1 41 PRO HB3 1 84 GLU HA . . 5.160 3.641 3.385 3.967 . 0 0 "[ . 1 . 2]" 1
830 1 41 PRO HB3 1 85 ASN HB2 . . 4.830 4.430 4.187 4.823 . 0 0 "[ . 1 . 2]" 1
831 1 41 PRO HB3 1 85 ASN HB3 . . 4.730 2.683 2.431 3.065 . 0 0 "[ . 1 . 2]" 1
832 1 41 PRO HD3 1 85 ASN HD21 . . 4.680 3.729 3.403 4.083 . 0 0 "[ . 1 . 2]" 1
833 1 41 PRO HG2 1 43 ILE MD . . 3.420 2.725 2.469 3.073 . 0 0 "[ . 1 . 2]" 1
834 1 41 PRO HG2 1 83 ALA MB . . 3.980 2.770 2.509 3.056 . 0 0 "[ . 1 . 2]" 1
835 1 41 PRO HG3 1 42 ARG H . . 5.420 5.253 4.888 5.415 . 0 0 "[ . 1 . 2]" 1
836 1 42 ARG H 1 42 ARG QB . . 3.190 2.206 2.163 2.266 . 0 0 "[ . 1 . 2]" 1
837 1 42 ARG H 1 42 ARG QD . . 4.440 2.306 2.120 2.541 . 0 0 "[ . 1 . 2]" 1
838 1 42 ARG H 1 42 ARG HG2 . . 4.290 4.145 4.013 4.280 . 0 0 "[ . 1 . 2]" 1
839 1 42 ARG H 1 42 ARG HG3 . . 4.290 3.840 3.568 4.063 . 0 0 "[ . 1 . 2]" 1
840 1 42 ARG H 1 43 ILE MD . . 4.460 4.358 4.181 4.452 . 0 0 "[ . 1 . 2]" 1
841 1 42 ARG H 1 83 ALA HA . . 4.400 3.676 3.336 4.097 . 0 0 "[ . 1 . 2]" 1
842 1 42 ARG H 1 84 GLU H . . 3.520 2.698 2.438 3.157 . 0 0 "[ . 1 . 2]" 1
843 1 42 ARG H 1 85 ASN HA . . 4.460 3.955 3.520 4.224 . 0 0 "[ . 1 . 2]" 1
844 1 42 ARG H 1 85 ASN HB3 . . 4.340 4.275 4.039 4.345 0.005 17 0 "[ . 1 . 2]" 1
845 1 42 ARG HA 1 42 ARG QD . . 4.490 2.845 2.545 3.237 . 0 0 "[ . 1 . 2]" 1
846 1 42 ARG HA 1 42 ARG HG2 . . 4.030 3.572 3.479 3.625 . 0 0 "[ . 1 . 2]" 1
847 1 42 ARG HA 1 42 ARG HG3 . . 4.030 2.303 2.186 2.404 . 0 0 "[ . 1 . 2]" 1
848 1 42 ARG HA 1 43 ILE H . . 2.790 2.156 2.140 2.248 . 0 0 "[ . 1 . 2]" 1
849 1 42 ARG HA 1 43 ILE HB . . 4.900 4.724 4.640 4.857 . 0 0 "[ . 1 . 2]" 1
850 1 42 ARG HA 1 43 ILE HG12 . . 4.180 3.694 3.513 3.779 . 0 0 "[ . 1 . 2]" 1
851 1 42 ARG HA 1 43 ILE HG13 . . 5.500 5.426 5.233 5.504 0.004 20 0 "[ . 1 . 2]" 1
852 1 42 ARG QB 1 42 ARG QD . . 3.490 2.275 2.113 2.700 . 0 0 "[ . 1 . 2]" 1
853 1 42 ARG QB 1 43 ILE H . . 3.400 3.255 2.869 3.400 . 0 0 "[ . 1 . 2]" 1
854 1 42 ARG QB 1 44 THR H . . 5.010 4.529 4.415 4.631 . 0 0 "[ . 1 . 2]" 1
855 1 42 ARG QB 1 84 GLU H . . 4.150 3.126 2.809 3.431 . 0 0 "[ . 1 . 2]" 1
856 1 42 ARG QD 1 43 ILE H . . 5.260 4.776 4.479 5.105 . 0 0 "[ . 1 . 2]" 1
857 1 42 ARG QD 1 84 GLU H . . 5.470 4.260 3.918 4.764 . 0 0 "[ . 1 . 2]" 1
858 1 42 ARG QG 1 43 ILE H . . 3.900 3.777 3.506 3.900 0.000 6 0 "[ . 1 . 2]" 1
859 1 43 ILE H 1 43 ILE HB . . 3.360 2.616 2.551 2.739 . 0 0 "[ . 1 . 2]" 1
860 1 43 ILE H 1 43 ILE MD . . 3.560 3.187 2.996 3.399 . 0 0 "[ . 1 . 2]" 1
861 1 43 ILE H 1 43 ILE HG12 . . 3.650 2.396 2.212 2.736 . 0 0 "[ . 1 . 2]" 1
862 1 43 ILE H 1 43 ILE HG13 . . 4.280 3.867 3.730 4.136 . 0 0 "[ . 1 . 2]" 1
863 1 43 ILE H 1 43 ILE MG . . 4.010 3.822 3.809 3.844 . 0 0 "[ . 1 . 2]" 1
864 1 43 ILE H 1 44 THR H . . 4.290 4.285 4.246 4.302 0.012 4 0 "[ . 1 . 2]" 1
865 1 43 ILE HA 1 43 ILE MD . . 3.320 2.087 1.931 2.196 . 0 0 "[ . 1 . 2]" 1
866 1 43 ILE HA 1 43 ILE MG . . 3.480 2.273 2.187 2.356 . 0 0 "[ . 1 . 2]" 1
867 1 43 ILE HA 1 44 THR H . . 2.910 2.152 2.141 2.166 . 0 0 "[ . 1 . 2]" 1
868 1 43 ILE HA 1 83 ALA HA . . 4.020 3.639 3.467 3.763 . 0 0 "[ . 1 . 2]" 1
869 1 43 ILE HA 1 83 ALA MB . . 4.600 3.696 3.507 3.886 . 0 0 "[ . 1 . 2]" 1
870 1 43 ILE HB 1 43 ILE MD . . 3.460 3.218 3.202 3.225 . 0 0 "[ . 1 . 2]" 1
871 1 43 ILE HB 1 44 THR H . . 5.310 4.308 4.217 4.355 . 0 0 "[ . 1 . 2]" 1
872 1 43 ILE HB 1 45 TRP HE1 . . 4.980 4.227 3.841 4.607 . 0 0 "[ . 1 . 2]" 1
873 1 43 ILE MD 1 43 ILE MG . . 2.810 2.098 1.992 2.247 . 0 0 "[ . 1 . 2]" 1
874 1 43 ILE MD 1 44 THR H . . 3.880 3.798 3.597 3.881 0.001 18 0 "[ . 1 . 2]" 1
875 1 43 ILE MD 1 59 CYS HB2 . . 5.040 4.026 3.502 4.970 . 0 0 "[ . 1 . 2]" 1
876 1 43 ILE MD 1 59 CYS QB . . 4.390 3.577 3.057 4.245 . 0 0 "[ . 1 . 2]" 1
877 1 43 ILE MD 1 59 CYS HB3 . . 5.040 4.113 3.312 4.709 . 0 0 "[ . 1 . 2]" 1
878 1 43 ILE MD 1 64 ALA MB . . 3.010 2.722 2.328 2.958 . 0 0 "[ . 1 . 2]" 1
879 1 43 ILE MD 1 81 CYS HG . . 4.010 3.465 2.882 3.965 . 0 0 "[ . 1 . 2]" 1
880 1 43 ILE MD 1 83 ALA HA . . 3.530 3.314 3.056 3.503 . 0 0 "[ . 1 . 2]" 1
881 1 43 ILE MD 1 83 ALA MB . . 2.900 2.443 2.215 2.795 . 0 0 "[ . 1 . 2]" 1
882 1 43 ILE MD 1 84 GLU H . . 5.000 4.760 4.537 4.908 . 0 0 "[ . 1 . 2]" 1
883 1 43 ILE HG12 1 43 ILE MG . . 3.390 3.182 3.166 3.193 . 0 0 "[ . 1 . 2]" 1
884 1 43 ILE HG12 1 59 CYS HG . . 5.020 3.785 2.692 4.860 . 0 0 "[ . 1 . 2]" 1
885 1 43 ILE HG12 1 64 ALA MB . . 5.320 4.286 3.696 4.862 . 0 0 "[ . 1 . 2]" 1
886 1 43 ILE HG13 1 43 ILE MG . . 3.260 2.248 2.160 2.328 . 0 0 "[ . 1 . 2]" 1
887 1 43 ILE HG13 1 59 CYS HB2 . . 5.080 3.067 2.029 4.435 . 0 0 "[ . 1 . 2]" 1
888 1 43 ILE HG13 1 59 CYS QB . . 4.420 2.430 1.972 4.017 . 0 0 "[ . 1 . 2]" 1
889 1 43 ILE HG13 1 59 CYS HB3 . . 5.080 2.854 2.003 4.593 . 0 0 "[ . 1 . 2]" 1
890 1 43 ILE HG13 1 64 ALA MB . . 3.860 2.818 2.138 3.470 . 0 0 "[ . 1 . 2]" 1
891 1 43 ILE MG 1 44 THR H . . 3.420 2.922 2.775 3.066 . 0 0 "[ . 1 . 2]" 1
892 1 43 ILE MG 1 44 THR HA . . 4.340 3.765 3.546 3.919 . 0 0 "[ . 1 . 2]" 1
893 1 43 ILE MG 1 45 TRP H . . 4.530 4.172 3.924 4.514 . 0 0 "[ . 1 . 2]" 1
894 1 43 ILE MG 1 45 TRP HA . . 5.360 4.807 4.590 5.063 . 0 0 "[ . 1 . 2]" 1
895 1 43 ILE MG 1 45 TRP HD1 . . 3.700 2.938 2.504 3.218 . 0 0 "[ . 1 . 2]" 1
896 1 43 ILE MG 1 45 TRP HE1 . . 3.400 2.016 1.777 2.306 . 0 0 "[ . 1 . 2]" 1
897 1 43 ILE MG 1 45 TRP HZ2 . . 4.220 3.547 3.270 3.845 . 0 0 "[ . 1 . 2]" 1
898 1 43 ILE MG 1 57 SER QB . . 4.570 3.127 2.425 3.497 . 0 0 "[ . 1 . 2]" 1
899 1 43 ILE MG 1 59 CYS HA . . 5.480 4.926 4.424 5.443 . 0 0 "[ . 1 . 2]" 1
900 1 43 ILE MG 1 59 CYS QB . . 4.560 3.380 2.914 4.479 . 0 0 "[ . 1 . 2]" 1
901 1 43 ILE MG 1 64 ALA MB . . 3.170 2.143 1.921 2.601 . 0 0 "[ . 1 . 2]" 1
902 1 43 ILE MG 1 81 CYS HA . . 4.440 4.241 4.093 4.441 0.001 14 0 "[ . 1 . 2]" 1
903 1 43 ILE MG 1 81 CYS HG . . 3.150 2.180 1.968 2.562 . 0 0 "[ . 1 . 2]" 1
904 1 43 ILE MG 1 82 LEU H . . 4.700 4.627 4.365 4.700 . 0 0 "[ . 1 . 2]" 1
905 1 43 ILE MG 1 83 ALA HA . . 5.500 5.117 4.916 5.370 . 0 0 "[ . 1 . 2]" 1
906 1 43 ILE MG 1 83 ALA MB . . 4.650 4.280 4.098 4.506 . 0 0 "[ . 1 . 2]" 1
907 1 44 THR H 1 44 THR HB . . 3.680 2.745 2.692 2.819 . 0 0 "[ . 1 . 2]" 1
908 1 44 THR H 1 44 THR MG . . 3.930 3.892 3.865 3.927 . 0 0 "[ . 1 . 2]" 1
909 1 44 THR H 1 82 LEU H . . 3.750 3.124 2.884 3.409 . 0 0 "[ . 1 . 2]" 1
910 1 44 THR H 1 82 LEU QB . . 4.030 3.581 3.398 3.769 . 0 0 "[ . 1 . 2]" 1
911 1 44 THR H 1 82 LEU QD . . 5.110 4.554 4.192 4.724 . 0 0 "[ . 1 . 2]" 1
912 1 44 THR H 1 82 LEU HG . . 5.010 4.438 3.869 4.708 . 0 0 "[ . 1 . 2]" 1
913 1 44 THR H 1 83 ALA HA . . 4.580 4.358 4.163 4.581 0.001 4 0 "[ . 1 . 2]" 1
914 1 44 THR HA 1 44 THR MG . . 3.300 2.373 2.266 2.463 . 0 0 "[ . 1 . 2]" 1
915 1 44 THR HA 1 45 TRP H . . 2.870 2.144 2.141 2.162 . 0 0 "[ . 1 . 2]" 1
916 1 44 THR HA 1 45 TRP HD1 . . 4.610 3.301 3.016 3.547 . 0 0 "[ . 1 . 2]" 1
917 1 44 THR HB 1 45 TRP H . . 4.390 4.279 4.149 4.362 . 0 0 "[ . 1 . 2]" 1
918 1 44 THR HB 1 46 LEU QD . . 4.280 3.498 2.866 4.043 . 0 0 "[ . 1 . 2]" 1
919 1 44 THR HB 1 82 LEU H . . 4.390 3.659 3.379 4.286 . 0 0 "[ . 1 . 2]" 1
920 1 44 THR HB 1 82 LEU QB . . 3.480 2.734 2.307 3.172 . 0 0 "[ . 1 . 2]" 1
921 1 44 THR HB 1 82 LEU QD . . 3.630 3.383 2.927 3.619 . 0 0 "[ . 1 . 2]" 1
922 1 44 THR HB 1 82 LEU HG . . 4.350 3.912 3.365 4.242 . 0 0 "[ . 1 . 2]" 1
923 1 44 THR MG 1 45 TRP H . . 3.320 2.716 2.415 3.006 . 0 0 "[ . 1 . 2]" 1
924 1 44 THR MG 1 45 TRP HA . . 4.620 3.922 3.673 4.065 . 0 0 "[ . 1 . 2]" 1
925 1 44 THR MG 1 46 LEU MD1 . . 3.750 2.896 2.017 3.480 . 0 0 "[ . 1 . 2]" 1
926 1 44 THR MG 1 46 LEU QD . . 2.910 2.358 2.001 2.852 . 0 0 "[ . 1 . 2]" 1
927 1 44 THR MG 1 46 LEU MD2 . . 3.750 2.693 2.088 3.323 . 0 0 "[ . 1 . 2]" 1
928 1 44 THR MG 1 51 PRO HA . . 4.410 3.646 3.283 3.953 . 0 0 "[ . 1 . 2]" 1
929 1 44 THR MG 1 51 PRO HB2 . . 4.190 3.736 2.622 4.190 . 0 0 "[ . 1 . 2]" 1
930 1 44 THR MG 1 51 PRO QB . . 3.440 2.967 2.010 3.396 . 0 0 "[ . 1 . 2]" 1
931 1 44 THR MG 1 51 PRO HB3 . . 4.190 3.118 2.088 3.602 . 0 0 "[ . 1 . 2]" 1
932 1 44 THR MG 1 51 PRO QG . . 5.050 4.438 3.259 5.021 . 0 0 "[ . 1 . 2]" 1
933 1 45 TRP H 1 45 TRP HB2 . . 3.780 2.503 2.431 2.569 . 0 0 "[ . 1 . 2]" 1
934 1 45 TRP H 1 45 TRP QB . . 3.190 2.463 2.396 2.522 . 0 0 "[ . 1 . 2]" 1
935 1 45 TRP H 1 45 TRP HB3 . . 3.780 3.661 3.630 3.705 . 0 0 "[ . 1 . 2]" 1
936 1 45 TRP H 1 45 TRP HD1 . . 3.800 2.313 2.059 2.623 . 0 0 "[ . 1 . 2]" 1
937 1 45 TRP H 1 46 LEU H . . 4.670 4.510 4.445 4.574 . 0 0 "[ . 1 . 2]" 1
938 1 45 TRP H 1 52 ILE HB . . 5.500 4.624 4.103 5.147 . 0 0 "[ . 1 . 2]" 1
939 1 45 TRP H 1 52 ILE HG13 . . 5.500 5.206 4.796 5.496 . 0 0 "[ . 1 . 2]" 1
940 1 45 TRP HA 1 45 TRP HD1 . . 4.960 3.898 3.672 4.059 . 0 0 "[ . 1 . 2]" 1
941 1 45 TRP HA 1 45 TRP HE3 . . 4.270 3.644 3.371 3.975 . 0 0 "[ . 1 . 2]" 1
942 1 45 TRP HA 1 46 LEU H . . 3.120 2.187 2.144 2.283 . 0 0 "[ . 1 . 2]" 1
943 1 45 TRP HA 1 46 LEU QD . . 4.630 3.446 2.389 4.409 . 0 0 "[ . 1 . 2]" 1
944 1 45 TRP HA 1 46 LEU HG . . 5.500 3.982 3.489 5.509 0.009 14 0 "[ . 1 . 2]" 1
945 1 45 TRP HA 1 52 ILE MD . . 4.720 4.249 3.803 4.669 . 0 0 "[ . 1 . 2]" 1
946 1 45 TRP HA 1 66 LEU MD2 . . 5.500 4.930 4.595 5.318 . 0 0 "[ . 1 . 2]" 1
947 1 45 TRP HA 1 81 CYS HA . . 4.020 2.711 2.245 3.118 . 0 0 "[ . 1 . 2]" 1
948 1 45 TRP HA 1 82 LEU H . . 4.040 3.713 3.200 3.968 . 0 0 "[ . 1 . 2]" 1
949 1 45 TRP QB 1 46 LEU H . . 3.950 3.032 2.693 3.276 . 0 0 "[ . 1 . 2]" 1
950 1 45 TRP QB 1 52 ILE HB . . 4.040 3.276 3.112 3.472 . 0 0 "[ . 1 . 2]" 1
951 1 45 TRP QB 1 52 ILE MD . . 3.100 2.196 1.863 2.699 . 0 0 "[ . 1 . 2]" 1
952 1 45 TRP QB 1 52 ILE HG13 . . 5.300 3.526 3.162 4.134 . 0 0 "[ . 1 . 2]" 1
953 1 45 TRP QB 1 52 ILE MG . . 4.780 4.169 3.909 4.410 . 0 0 "[ . 1 . 2]" 1
954 1 45 TRP QB 1 55 ALA MB . . 3.810 2.998 2.634 3.334 . 0 0 "[ . 1 . 2]" 1
955 1 45 TRP QB 1 66 LEU MD2 . . 3.540 2.764 2.482 3.104 . 0 0 "[ . 1 . 2]" 1
956 1 45 TRP HB2 1 46 LEU H . . 4.670 4.090 3.830 4.275 . 0 0 "[ . 1 . 2]" 1
957 1 45 TRP HB2 1 52 ILE HB . . 4.800 3.364 3.176 3.575 . 0 0 "[ . 1 . 2]" 1
958 1 45 TRP HB2 1 52 ILE MD . . 3.550 2.493 2.062 3.229 . 0 0 "[ . 1 . 2]" 1
959 1 45 TRP HB2 1 55 ALA MB . . 4.540 3.069 2.702 3.439 . 0 0 "[ . 1 . 2]" 1
960 1 45 TRP HB2 1 66 LEU MD1 . . 3.980 3.018 2.441 3.298 . 0 0 "[ . 1 . 2]" 1
961 1 45 TRP HB2 1 66 LEU MD2 . . 4.130 3.405 2.967 3.740 . 0 0 "[ . 1 . 2]" 1
962 1 45 TRP HB3 1 46 LEU H . . 4.670 3.126 2.751 3.402 . 0 0 "[ . 1 . 2]" 1
963 1 45 TRP HB3 1 52 ILE HB . . 4.800 4.528 4.073 4.800 0.000 14 0 "[ . 1 . 2]" 1
964 1 45 TRP HB3 1 52 ILE MD . . 3.550 2.475 2.042 2.920 . 0 0 "[ . 1 . 2]" 1
965 1 45 TRP HB3 1 55 ALA MB . . 4.540 4.220 3.649 4.484 . 0 0 "[ . 1 . 2]" 1
966 1 45 TRP HB3 1 66 LEU MD1 . . 3.980 3.551 3.180 3.931 . 0 0 "[ . 1 . 2]" 1
967 1 45 TRP HB3 1 66 LEU MD2 . . 4.130 2.931 2.644 3.316 . 0 0 "[ . 1 . 2]" 1
968 1 45 TRP HD1 1 55 ALA MB . . 4.020 3.735 3.341 4.021 0.001 17 0 "[ . 1 . 2]" 1
969 1 45 TRP HD1 1 57 SER HB2 . . 4.200 3.555 2.885 3.836 . 0 0 "[ . 1 . 2]" 1
970 1 45 TRP HD1 1 57 SER QB . . 3.670 2.932 2.075 3.369 . 0 0 "[ . 1 . 2]" 1
971 1 45 TRP HD1 1 57 SER HB3 . . 4.200 3.151 2.128 3.753 . 0 0 "[ . 1 . 2]" 1
972 1 45 TRP HD1 1 66 LEU MD1 . . 3.990 3.345 2.927 3.676 . 0 0 "[ . 1 . 2]" 1
973 1 45 TRP HE1 1 55 ALA MB . . 5.500 5.194 4.758 5.441 . 0 0 "[ . 1 . 2]" 1
974 1 45 TRP HE1 1 57 SER HA . . 5.130 4.531 3.433 4.912 . 0 0 "[ . 1 . 2]" 1
975 1 45 TRP HE1 1 57 SER HB2 . . 4.240 2.509 2.135 3.884 . 0 0 "[ . 1 . 2]" 1
976 1 45 TRP HE1 1 57 SER QB . . 3.510 2.358 2.058 2.936 . 0 0 "[ . 1 . 2]" 1
977 1 45 TRP HE1 1 57 SER HB3 . . 4.240 3.052 2.587 3.565 . 0 0 "[ . 1 . 2]" 1
978 1 45 TRP HE1 1 58 THR H . . 5.110 4.795 3.870 5.105 . 0 0 "[ . 1 . 2]" 1
979 1 45 TRP HE1 1 64 ALA MB . . 3.930 3.341 3.008 3.800 . 0 0 "[ . 1 . 2]" 1
980 1 45 TRP HE1 1 65 GLU H . . 5.140 4.297 3.957 4.664 . 0 0 "[ . 1 . 2]" 1
981 1 45 TRP HE1 1 66 LEU QB . . 5.050 3.663 3.196 4.018 . 0 0 "[ . 1 . 2]" 1
982 1 45 TRP HE1 1 66 LEU MD1 . . 4.440 3.712 3.032 4.140 . 0 0 "[ . 1 . 2]" 1
983 1 45 TRP HE1 1 81 CYS HG . . 4.800 3.654 2.796 4.447 . 0 0 "[ . 1 . 2]" 1
984 1 45 TRP HE3 1 46 LEU H . . 4.630 4.252 4.041 4.571 . 0 0 "[ . 1 . 2]" 1
985 1 45 TRP HE3 1 52 ILE MD . . 4.460 4.034 3.707 4.462 0.002 14 0 "[ . 1 . 2]" 1
986 1 45 TRP HE3 1 66 LEU MD1 . . 4.850 4.217 3.888 4.712 . 0 0 "[ . 1 . 2]" 1
987 1 45 TRP HE3 1 66 LEU MD2 . . 3.850 2.682 2.245 3.110 . 0 0 "[ . 1 . 2]" 1
988 1 45 TRP HE3 1 81 CYS HA . . 4.900 4.438 4.188 4.650 . 0 0 "[ . 1 . 2]" 1
989 1 45 TRP HH2 1 64 ALA MB . . 4.140 3.894 3.566 4.136 . 0 0 "[ . 1 . 2]" 1
990 1 45 TRP HH2 1 65 GLU HA . . 4.760 3.849 3.472 4.233 . 0 0 "[ . 1 . 2]" 1
991 1 45 TRP HH2 1 66 LEU H . . 4.530 4.101 3.440 4.459 . 0 0 "[ . 1 . 2]" 1
992 1 45 TRP HH2 1 66 LEU HB2 . . 5.440 3.996 3.465 4.346 . 0 0 "[ . 1 . 2]" 1
993 1 45 TRP HH2 1 66 LEU QB . . 4.800 3.550 3.176 3.770 . 0 0 "[ . 1 . 2]" 1
994 1 45 TRP HH2 1 66 LEU HB3 . . 5.440 4.006 3.690 4.233 . 0 0 "[ . 1 . 2]" 1
995 1 45 TRP HH2 1 81 CYS HB2 . . 4.910 3.968 3.668 4.252 . 0 0 "[ . 1 . 2]" 1
996 1 45 TRP HH2 1 81 CYS HB3 . . 5.500 5.135 4.801 5.401 . 0 0 "[ . 1 . 2]" 1
997 1 45 TRP HZ2 1 64 ALA MB . . 3.150 2.298 2.049 2.762 . 0 0 "[ . 1 . 2]" 1
998 1 45 TRP HZ2 1 65 GLU H . . 4.360 3.579 3.330 3.949 . 0 0 "[ . 1 . 2]" 1
999 1 45 TRP HZ2 1 65 GLU HA . . 4.310 3.330 2.888 3.639 . 0 0 "[ . 1 . 2]" 1
1000 1 45 TRP HZ2 1 66 LEU H . . 4.520 4.039 3.419 4.334 . 0 0 "[ . 1 . 2]" 1
1001 1 45 TRP HZ2 1 66 LEU QB . . 4.840 3.305 2.946 3.574 . 0 0 "[ . 1 . 2]" 1
1002 1 45 TRP HZ2 1 66 LEU MD1 . . 4.970 4.663 4.021 4.962 . 0 0 "[ . 1 . 2]" 1
1003 1 45 TRP HZ3 1 81 CYS HB2 . . 4.540 3.654 3.302 3.851 . 0 0 "[ . 1 . 2]" 1
1004 1 45 TRP HZ3 1 81 CYS HB3 . . 5.500 5.130 4.743 5.464 . 0 0 "[ . 1 . 2]" 1
1005 1 46 LEU H 1 46 LEU MD1 . . 4.350 3.033 2.112 3.790 . 0 0 "[ . 1 . 2]" 1
1006 1 46 LEU H 1 46 LEU QD . . 3.760 2.817 2.050 3.547 . 0 0 "[ . 1 . 2]" 1
1007 1 46 LEU H 1 46 LEU MD2 . . 4.350 4.084 2.061 4.365 0.015 4 0 "[ . 1 . 2]" 1
1008 1 46 LEU H 1 46 LEU HG . . 4.300 3.183 2.519 4.311 0.011 14 0 "[ . 1 . 2]" 1
1009 1 46 LEU H 1 47 LEU H . . 5.050 4.368 4.222 4.489 . 0 0 "[ . 1 . 2]" 1
1010 1 46 LEU H 1 52 ILE MD . . 4.450 3.978 3.657 4.309 . 0 0 "[ . 1 . 2]" 1
1011 1 46 LEU H 1 79 TYR HA . . 5.010 4.009 3.700 4.275 . 0 0 "[ . 1 . 2]" 1
1012 1 46 LEU H 1 80 THR H . . 3.980 2.507 2.206 2.945 . 0 0 "[ . 1 . 2]" 1
1013 1 46 LEU H 1 80 THR HB . . 4.590 3.314 2.999 3.799 . 0 0 "[ . 1 . 2]" 1
1014 1 46 LEU HA 1 46 LEU QD . . 3.620 2.767 2.024 3.227 . 0 0 "[ . 1 . 2]" 1
1015 1 46 LEU HA 1 46 LEU HG . . 4.260 2.876 2.496 3.735 . 0 0 "[ . 1 . 2]" 1
1016 1 46 LEU HA 1 47 LEU H . . 3.150 2.197 2.141 2.303 . 0 0 "[ . 1 . 2]" 1
1017 1 46 LEU HA 1 51 PRO HA . . 4.030 2.400 1.997 2.862 . 0 0 "[ . 1 . 2]" 1
1018 1 46 LEU HA 1 52 ILE H . . 3.750 2.940 2.163 3.570 . 0 0 "[ . 1 . 2]" 1
1019 1 46 LEU HA 1 52 ILE HG12 . . 5.470 4.211 3.675 4.568 . 0 0 "[ . 1 . 2]" 1
1020 1 46 LEU HA 1 52 ILE HG13 . . 4.140 2.761 2.250 3.327 . 0 0 "[ . 1 . 2]" 1
1021 1 46 LEU QB 1 46 LEU QD . . 2.750 1.827 1.760 1.986 . 0 0 "[ . 1 . 2]" 1
1022 1 46 LEU QB 1 47 LEU H . . 3.560 3.003 2.681 3.274 . 0 0 "[ . 1 . 2]" 1
1023 1 46 LEU QB 1 49 GLY H . . 4.450 3.434 2.956 4.348 . 0 0 "[ . 1 . 2]" 1
1024 1 46 LEU QB 1 50 GLN H . . 4.730 3.483 2.503 4.147 . 0 0 "[ . 1 . 2]" 1
1025 1 46 LEU QB 1 80 THR HB . . 4.040 2.484 2.094 2.911 . 0 0 "[ . 1 . 2]" 1
1026 1 46 LEU HB2 1 50 GLN H . . 5.500 4.926 3.849 5.487 . 0 0 "[ . 1 . 2]" 1
1027 1 46 LEU HB2 1 80 THR HB . . 4.670 2.504 2.103 2.941 . 0 0 "[ . 1 . 2]" 1
1028 1 46 LEU HB3 1 50 GLN H . . 5.500 3.571 2.536 4.293 . 0 0 "[ . 1 . 2]" 1
1029 1 46 LEU HB3 1 80 THR HB . . 4.670 4.178 3.520 4.673 0.003 20 0 "[ . 1 . 2]" 1
1030 1 46 LEU QD 1 49 GLY H . . 5.440 4.404 3.913 5.258 . 0 0 "[ . 1 . 2]" 1
1031 1 46 LEU QD 1 50 GLN H . . 4.610 4.061 3.160 4.606 . 0 0 "[ . 1 . 2]" 1
1032 1 46 LEU QD 1 51 PRO HA . . 3.560 2.411 1.831 3.043 . 0 0 "[ . 1 . 2]" 1
1033 1 46 LEU QD 1 51 PRO QB . . 3.500 2.433 2.114 2.853 . 0 0 "[ . 1 . 2]" 1
1034 1 46 LEU QD 1 51 PRO HD2 . . 4.190 3.913 3.404 4.187 . 0 0 "[ . 1 . 2]" 1
1035 1 46 LEU QD 1 51 PRO HD3 . . 3.600 2.688 2.033 3.199 . 0 0 "[ . 1 . 2]" 1
1036 1 46 LEU QD 1 51 PRO QG . . 3.880 3.492 2.956 3.786 . 0 0 "[ . 1 . 2]" 1
1037 1 46 LEU QD 1 52 ILE H . . 4.340 3.898 3.029 4.328 . 0 0 "[ . 1 . 2]" 1
1038 1 46 LEU QD 1 80 THR H . . 4.700 3.983 3.347 4.674 . 0 0 "[ . 1 . 2]" 1
1039 1 46 LEU QD 1 80 THR HB . . 3.930 2.539 1.967 3.270 . 0 0 "[ . 1 . 2]" 1
1040 1 46 LEU QD 1 80 THR MG . . 3.110 2.703 2.398 3.065 . 0 0 "[ . 1 . 2]" 1
1041 1 46 LEU QD 1 82 LEU H . . 4.550 3.515 2.916 4.065 . 0 0 "[ . 1 . 2]" 1
1042 1 46 LEU QD 1 82 LEU QB . . 3.480 2.826 2.563 3.087 . 0 0 "[ . 1 . 2]" 1
1043 1 46 LEU HG 1 47 LEU H . . 5.370 4.835 4.492 5.100 . 0 0 "[ . 1 . 2]" 1
1044 1 46 LEU HG 1 51 PRO HA . . 4.510 3.135 2.000 4.523 0.013 14 0 "[ . 1 . 2]" 1
1045 1 46 LEU HG 1 80 THR HB . . 4.930 4.506 3.527 4.932 0.002 19 0 "[ . 1 . 2]" 1
1046 1 47 LEU H 1 47 LEU QB . . 3.280 2.411 2.331 2.565 . 0 0 "[ . 1 . 2]" 1
1047 1 47 LEU H 1 47 LEU MD1 . . 4.580 4.268 3.947 4.542 . 0 0 "[ . 1 . 2]" 1
1048 1 47 LEU H 1 47 LEU MD2 . . 4.580 4.352 4.208 4.528 . 0 0 "[ . 1 . 2]" 1
1049 1 47 LEU H 1 47 LEU HG . . 4.930 4.494 4.274 4.758 . 0 0 "[ . 1 . 2]" 1
1050 1 47 LEU H 1 48 ASN H . . 4.870 4.240 3.943 4.514 . 0 0 "[ . 1 . 2]" 1
1051 1 47 LEU H 1 50 GLN H . . 4.280 3.398 2.224 4.262 . 0 0 "[ . 1 . 2]" 1
1052 1 47 LEU H 1 51 PRO HA . . 4.070 3.760 3.256 4.099 0.029 14 0 "[ . 1 . 2]" 1
1053 1 47 LEU HA 1 47 LEU QD . . 3.600 2.202 1.925 2.578 . 0 0 "[ . 1 . 2]" 1
1054 1 47 LEU HA 1 48 ASN H . . 3.290 2.191 2.140 2.267 . 0 0 "[ . 1 . 2]" 1
1055 1 47 LEU HA 1 79 TYR HA . . 4.830 3.040 2.686 3.547 . 0 0 "[ . 1 . 2]" 1
1056 1 47 LEU QB 1 47 LEU QD . . 2.830 1.887 1.753 1.979 . 0 0 "[ . 1 . 2]" 1
1057 1 47 LEU QB 1 50 GLN H . . 5.340 4.372 3.818 4.901 . 0 0 "[ . 1 . 2]" 1
1058 1 47 LEU QD 1 48 ASN H . . 3.390 2.996 2.412 3.348 . 0 0 "[ . 1 . 2]" 1
1059 1 47 LEU QD 1 48 ASN QB . . 4.350 3.666 3.120 4.070 . 0 0 "[ . 1 . 2]" 1
1060 1 47 LEU QD 1 48 ASN QD . . 3.580 2.503 1.910 3.342 . 0 0 "[ . 1 . 2]" 1
1061 1 47 LEU QD 1 52 ILE MD . . 4.110 3.060 2.259 3.621 . 0 0 "[ . 1 . 2]" 1
1062 1 47 LEU QD 1 77 GLY H . . 4.440 3.321 2.910 3.766 . 0 0 "[ . 1 . 2]" 1
1063 1 47 LEU QD 1 77 GLY QA . . 3.470 2.412 1.979 3.031 . 0 0 "[ . 1 . 2]" 1
1064 1 47 LEU QD 1 78 THR H . . 3.650 2.428 1.921 3.018 . 0 0 "[ . 1 . 2]" 1
1065 1 47 LEU QD 1 79 TYR HA . . 4.090 3.185 2.596 3.694 . 0 0 "[ . 1 . 2]" 1
1066 1 47 LEU QD 1 79 TYR QB . . 5.280 4.043 3.527 4.704 . 0 0 "[ . 1 . 2]" 1
1067 1 47 LEU QD 1 79 TYR QD . . 3.730 3.145 2.657 3.705 . 0 0 "[ . 1 . 2]" 1
1068 1 47 LEU QD 1 79 TYR QE . . 3.490 2.781 2.323 3.457 . 0 0 "[ . 1 . 2]" 1
1069 1 47 LEU MD1 1 48 ASN HD21 . . 5.040 3.525 2.034 4.947 . 0 0 "[ . 1 . 2]" 1
1070 1 47 LEU MD1 1 48 ASN HD22 . . 5.040 3.515 2.086 4.822 . 0 0 "[ . 1 . 2]" 1
1071 1 47 LEU MD1 1 77 GLY H . . 5.450 3.379 2.960 3.839 . 0 0 "[ . 1 . 2]" 1
1072 1 47 LEU MD1 1 79 TYR QE . . 4.270 2.874 2.373 3.685 . 0 0 "[ . 1 . 2]" 1
1073 1 47 LEU MD2 1 48 ASN HD21 . . 5.040 3.515 2.293 4.869 . 0 0 "[ . 1 . 2]" 1
1074 1 47 LEU MD2 1 48 ASN HD22 . . 5.040 3.393 2.057 4.497 . 0 0 "[ . 1 . 2]" 1
1075 1 47 LEU MD2 1 77 GLY H . . 5.450 4.917 4.286 5.454 0.004 4 0 "[ . 1 . 2]" 1
1076 1 47 LEU MD2 1 79 TYR QE . . 4.270 3.779 3.036 4.259 . 0 0 "[ . 1 . 2]" 1
1077 1 47 LEU HG 1 48 ASN H . . 4.310 3.334 2.306 4.308 . 0 0 "[ . 1 . 2]" 1
1078 1 47 LEU HG 1 48 ASN QB . . 4.650 3.422 2.426 4.447 . 0 0 "[ . 1 . 2]" 1
1079 1 47 LEU HG 1 48 ASN HD21 . . 4.750 2.721 1.940 3.788 . 0 0 "[ . 1 . 2]" 1
1080 1 47 LEU HG 1 48 ASN QD . . 3.990 2.340 1.900 3.119 . 0 0 "[ . 1 . 2]" 1
1081 1 47 LEU HG 1 48 ASN HD22 . . 4.750 2.921 1.959 3.990 . 0 0 "[ . 1 . 2]" 1
1082 1 48 ASN H 1 49 GLY H . . 3.870 2.788 2.502 3.077 . 0 0 "[ . 1 . 2]" 1
1083 1 48 ASN H 1 78 THR H . . 3.930 2.920 1.938 3.921 . 0 0 "[ . 1 . 2]" 1
1084 1 48 ASN H 1 78 THR HB . . 4.120 3.385 2.875 4.059 . 0 0 "[ . 1 . 2]" 1
1085 1 48 ASN H 1 79 TYR HA . . 4.730 4.256 3.330 4.731 0.001 14 0 "[ . 1 . 2]" 1
1086 1 48 ASN QB 1 48 ASN QD . . 3.050 2.202 2.064 2.656 . 0 0 "[ . 1 . 2]" 1
1087 1 48 ASN QB 1 78 THR H . . 5.340 4.135 2.415 5.059 . 0 0 "[ . 1 . 2]" 1
1088 1 48 ASN QD 1 77 GLY QA . . 4.570 2.830 1.941 4.074 . 0 0 "[ . 1 . 2]" 1
1089 1 48 ASN QD 1 78 THR H . . 4.660 3.443 1.793 4.655 . 0 0 "[ . 1 . 2]" 1
1090 1 49 GLY H 1 50 GLN H . . 3.920 2.900 2.366 3.730 . 0 0 "[ . 1 . 2]" 1
1091 1 50 GLN H 1 50 GLN HB2 . . 3.940 3.136 2.216 3.952 0.012 6 0 "[ . 1 . 2]" 1
1092 1 50 GLN H 1 50 GLN HB3 . . 3.940 3.380 2.656 3.905 . 0 0 "[ . 1 . 2]" 1
1093 1 50 GLN H 1 50 GLN HG2 . . 4.330 3.084 1.904 4.302 . 0 0 "[ . 1 . 2]" 1
1094 1 50 GLN H 1 50 GLN QG . . 3.720 2.749 1.893 3.390 . 0 0 "[ . 1 . 2]" 1
1095 1 50 GLN H 1 50 GLN HG3 . . 4.330 3.583 2.689 4.261 . 0 0 "[ . 1 . 2]" 1
1096 1 50 GLN HA 1 50 GLN HG2 . . 4.240 3.108 2.326 3.920 . 0 0 "[ . 1 . 2]" 1
1097 1 50 GLN HA 1 50 GLN QG . . 3.580 2.877 2.277 3.452 . 0 0 "[ . 1 . 2]" 1
1098 1 50 GLN HA 1 50 GLN HG3 . . 4.240 3.547 2.810 4.232 . 0 0 "[ . 1 . 2]" 1
1099 1 50 GLN HA 1 51 PRO HD2 . . 3.420 2.272 2.070 2.518 . 0 0 "[ . 1 . 2]" 1
1100 1 50 GLN HA 1 51 PRO HD3 . . 3.250 2.276 2.252 2.351 . 0 0 "[ . 1 . 2]" 1
1101 1 50 GLN HA 1 51 PRO QG . . 4.510 3.928 3.818 4.077 . 0 0 "[ . 1 . 2]" 1
1102 1 50 GLN QB 1 51 PRO HD3 . . 4.170 3.586 3.187 3.946 . 0 0 "[ . 1 . 2]" 1
1103 1 50 GLN HB2 1 51 PRO HD2 . . 4.330 3.151 2.000 4.181 . 0 0 "[ . 1 . 2]" 1
1104 1 50 GLN HB3 1 51 PRO HD2 . . 4.330 2.935 2.010 3.875 . 0 0 "[ . 1 . 2]" 1
1105 1 50 GLN QG 1 51 PRO HD2 . . 4.180 3.563 2.588 4.107 . 0 0 "[ . 1 . 2]" 1
1106 1 50 GLN QG 1 51 PRO HD3 . . 5.100 4.422 3.411 4.897 . 0 0 "[ . 1 . 2]" 1
1107 1 50 GLN HG2 1 51 PRO HD2 . . 5.040 4.132 2.622 4.948 . 0 0 "[ . 1 . 2]" 1
1108 1 50 GLN HG3 1 51 PRO HD2 . . 5.040 4.176 3.417 4.934 . 0 0 "[ . 1 . 2]" 1
1109 1 51 PRO HA 1 52 ILE H . . 3.020 2.207 2.151 2.425 . 0 0 "[ . 1 . 2]" 1
1110 1 51 PRO HA 1 52 ILE HG12 . . 5.330 4.931 4.463 5.329 . 0 0 "[ . 1 . 2]" 1
1111 1 51 PRO HA 1 52 ILE HG13 . . 4.360 3.568 3.346 3.808 . 0 0 "[ . 1 . 2]" 1
1112 1 51 PRO QB 1 52 ILE H . . 3.660 3.133 2.487 3.593 . 0 0 "[ . 1 . 2]" 1
1113 1 51 PRO HB2 1 52 ILE H . . 4.330 3.318 2.554 3.878 . 0 0 "[ . 1 . 2]" 1
1114 1 51 PRO HB3 1 52 ILE H . . 4.330 3.869 3.424 4.245 . 0 0 "[ . 1 . 2]" 1
1115 1 51 PRO QG 1 52 ILE H . . 5.030 4.550 4.126 4.748 . 0 0 "[ . 1 . 2]" 1
1116 1 52 ILE H 1 52 ILE HB . . 3.520 2.609 2.473 2.756 . 0 0 "[ . 1 . 2]" 1
1117 1 52 ILE H 1 52 ILE MD . . 4.020 3.518 3.346 3.828 . 0 0 "[ . 1 . 2]" 1
1118 1 52 ILE H 1 52 ILE HG12 . . 3.820 3.444 3.208 3.780 . 0 0 "[ . 1 . 2]" 1
1119 1 52 ILE H 1 52 ILE HG13 . . 3.630 2.117 1.915 2.490 . 0 0 "[ . 1 . 2]" 1
1120 1 52 ILE H 1 52 ILE MG . . 3.970 3.788 3.757 3.830 . 0 0 "[ . 1 . 2]" 1
1121 1 52 ILE H 1 55 ALA MB . . 4.350 4.023 3.701 4.246 . 0 0 "[ . 1 . 2]" 1
1122 1 52 ILE HA 1 52 ILE MD . . 4.130 3.889 3.788 3.956 . 0 0 "[ . 1 . 2]" 1
1123 1 52 ILE HA 1 52 ILE HG12 . . 3.820 2.670 2.494 2.843 . 0 0 "[ . 1 . 2]" 1
1124 1 52 ILE HA 1 52 ILE HG13 . . 3.590 3.036 2.852 3.236 . 0 0 "[ . 1 . 2]" 1
1125 1 52 ILE HA 1 52 ILE MG . . 3.350 2.322 2.141 2.444 . 0 0 "[ . 1 . 2]" 1
1126 1 52 ILE HA 1 53 GLN H . . 3.310 2.177 2.140 2.271 . 0 0 "[ . 1 . 2]" 1
1127 1 52 ILE HA 1 53 GLN QB . . 4.640 4.356 4.062 4.643 0.003 18 0 "[ . 1 . 2]" 1
1128 1 52 ILE HB 1 52 ILE MD . . 3.460 2.349 2.225 2.447 . 0 0 "[ . 1 . 2]" 1
1129 1 52 ILE HB 1 55 ALA HA . . 4.860 4.239 3.847 4.707 . 0 0 "[ . 1 . 2]" 1
1130 1 52 ILE HB 1 55 ALA MB . . 3.340 1.980 1.791 2.174 . 0 0 "[ . 1 . 2]" 1
1131 1 52 ILE MD 1 52 ILE MG . . 2.740 2.074 1.906 2.258 . 0 0 "[ . 1 . 2]" 1
1132 1 52 ILE MD 1 55 ALA MB . . 3.690 2.501 2.066 3.024 . 0 0 "[ . 1 . 2]" 1
1133 1 52 ILE MD 1 66 LEU MD1 . . 3.420 2.813 2.276 3.342 . 0 0 "[ . 1 . 2]" 1
1134 1 52 ILE MD 1 66 LEU MD2 . . 2.990 2.499 2.187 2.979 . 0 0 "[ . 1 . 2]" 1
1135 1 52 ILE MD 1 79 TYR QD . . 3.480 2.708 2.310 3.391 . 0 0 "[ . 1 . 2]" 1
1136 1 52 ILE MD 1 79 TYR QE . . 3.500 2.257 1.962 3.103 . 0 0 "[ . 1 . 2]" 1
1137 1 52 ILE HG12 1 52 ILE MG . . 3.130 2.300 2.172 2.509 . 0 0 "[ . 1 . 2]" 1
1138 1 52 ILE HG13 1 52 ILE MG . . 3.720 3.190 3.171 3.202 . 0 0 "[ . 1 . 2]" 1
1139 1 52 ILE MG 1 53 GLN H . . 4.010 2.523 2.073 3.240 . 0 0 "[ . 1 . 2]" 1
1140 1 52 ILE MG 1 53 GLN QB . . 4.770 4.166 3.853 4.506 . 0 0 "[ . 1 . 2]" 1
1141 1 52 ILE MG 1 54 TYR H . . 3.910 2.438 2.022 2.854 . 0 0 "[ . 1 . 2]" 1
1142 1 52 ILE MG 1 54 TYR QB . . 4.120 3.969 3.793 4.120 . 0 0 "[ . 1 . 2]" 1
1143 1 52 ILE MG 1 54 TYR QD . . 5.030 3.094 2.615 3.384 . 0 0 "[ . 1 . 2]" 1
1144 1 52 ILE MG 1 54 TYR QE . . 4.180 3.079 2.448 3.371 . 0 0 "[ . 1 . 2]" 1
1145 1 52 ILE MG 1 55 ALA H . . 3.940 2.546 2.012 3.271 . 0 0 "[ . 1 . 2]" 1
1146 1 52 ILE MG 1 55 ALA HA . . 3.780 2.770 2.394 3.164 . 0 0 "[ . 1 . 2]" 1
1147 1 52 ILE MG 1 55 ALA MB . . 3.120 2.002 1.725 2.210 . 0 0 "[ . 1 . 2]" 1
1148 1 52 ILE MG 1 56 ARG H . . 5.140 4.621 4.337 5.038 . 0 0 "[ . 1 . 2]" 1
1149 1 52 ILE MG 1 66 LEU MD1 . . 3.740 3.484 3.062 3.736 . 0 0 "[ . 1 . 2]" 1
1150 1 52 ILE MG 1 66 LEU MD2 . . 4.330 3.990 3.621 4.295 . 0 0 "[ . 1 . 2]" 1
1151 1 52 ILE MG 1 68 ILE MD . . 4.460 3.627 3.139 4.166 . 0 0 "[ . 1 . 2]" 1
1152 1 53 GLN H 1 53 GLN QB . . 3.520 2.549 2.251 2.882 . 0 0 "[ . 1 . 2]" 1
1153 1 53 GLN H 1 53 GLN HG2 . . 4.710 2.920 1.909 4.638 . 0 0 "[ . 1 . 2]" 1
1154 1 53 GLN H 1 53 GLN QG . . 4.130 2.473 1.899 4.002 . 0 0 "[ . 1 . 2]" 1
1155 1 53 GLN H 1 53 GLN HG3 . . 4.710 3.224 2.085 4.399 . 0 0 "[ . 1 . 2]" 1
1156 1 53 GLN H 1 54 TYR H . . 4.230 2.355 1.987 2.634 . 0 0 "[ . 1 . 2]" 1
1157 1 53 GLN HA 1 53 GLN HG2 . . 4.070 3.318 2.480 3.869 . 0 0 "[ . 1 . 2]" 1
1158 1 53 GLN HA 1 53 GLN QG . . 3.490 2.939 2.420 3.339 . 0 0 "[ . 1 . 2]" 1
1159 1 53 GLN HA 1 53 GLN HG3 . . 4.070 3.472 2.477 3.935 . 0 0 "[ . 1 . 2]" 1
1160 1 53 GLN QB 1 54 TYR H . . 3.780 2.876 2.205 3.564 . 0 0 "[ . 1 . 2]" 1
1161 1 53 GLN QB 1 54 TYR QD . . 4.220 3.501 2.719 4.218 . 0 0 "[ . 1 . 2]" 1
1162 1 53 GLN QB 1 54 TYR QE . . 5.430 4.872 3.871 5.430 . 0 0 "[ . 1 . 2]" 1
1163 1 53 GLN QG 1 54 TYR QD . . 4.730 3.445 1.911 4.700 . 0 0 "[ . 1 . 2]" 1
1164 1 54 TYR H 1 54 TYR QB . . 3.660 2.761 2.439 3.020 . 0 0 "[ . 1 . 2]" 1
1165 1 54 TYR H 1 54 TYR QD . . 3.970 2.270 1.903 2.901 . 0 0 "[ . 1 . 2]" 1
1166 1 54 TYR H 1 55 ALA H . . 3.870 3.017 2.560 3.302 . 0 0 "[ . 1 . 2]" 1
1167 1 54 TYR HA 1 54 TYR QD . . 3.860 3.719 3.677 3.740 . 0 0 "[ . 1 . 2]" 1
1168 1 54 TYR HA 1 55 ALA H . . 3.540 2.853 2.696 3.255 . 0 0 "[ . 1 . 2]" 1
1169 1 54 TYR QB 1 55 ALA H . . 4.170 4.014 3.843 4.058 . 0 0 "[ . 1 . 2]" 1
1170 1 54 TYR QD 1 55 ALA H . . 4.570 4.353 3.738 4.572 0.002 9 0 "[ . 1 . 2]" 1
1171 1 54 TYR QD 1 55 ALA HA . . 4.750 4.038 3.359 4.455 . 0 0 "[ . 1 . 2]" 1
1172 1 54 TYR QD 1 55 ALA MB . . 5.000 4.641 4.135 4.879 . 0 0 "[ . 1 . 2]" 1
1173 1 54 TYR QE 1 55 ALA MB . . 5.500 5.254 4.676 5.475 . 0 0 "[ . 1 . 2]" 1
1174 1 54 TYR QE 1 68 ILE MD . . 4.120 3.733 3.300 4.118 . 0 0 "[ . 1 . 2]" 1
1175 1 54 TYR QE 1 68 ILE MG . . 4.980 4.266 3.532 4.921 . 0 0 "[ . 1 . 2]" 1
1176 1 55 ALA H 1 55 ALA MB . . 3.110 2.175 2.030 2.420 . 0 0 "[ . 1 . 2]" 1
1177 1 55 ALA H 1 56 ARG H . . 4.700 4.232 4.099 4.626 . 0 0 "[ . 1 . 2]" 1
1178 1 55 ALA HA 1 56 ARG QB . . 4.610 4.323 3.940 4.468 . 0 0 "[ . 1 . 2]" 1
1179 1 55 ALA HA 1 56 ARG QG . . 5.340 4.322 3.948 5.430 0.090 12 0 "[ . 1 . 2]" 1
1180 1 55 ALA HA 1 57 SER H . . 4.840 4.036 3.234 4.718 . 0 0 "[ . 1 . 2]" 1
1181 1 55 ALA HA 1 66 LEU MD1 . . 4.390 2.806 2.421 3.219 . 0 0 "[ . 1 . 2]" 1
1182 1 55 ALA MB 1 56 ARG H . . 3.540 3.445 2.868 3.541 0.001 20 0 "[ . 1 . 2]" 1
1183 1 55 ALA MB 1 56 ARG HA . . 4.390 4.325 4.087 4.390 . 0 0 "[ . 1 . 2]" 1
1184 1 55 ALA MB 1 57 SER H . . 4.850 2.977 2.464 3.740 . 0 0 "[ . 1 . 2]" 1
1185 1 55 ALA MB 1 57 SER HB2 . . 4.690 4.396 3.233 4.690 0.000 20 0 "[ . 1 . 2]" 1
1186 1 55 ALA MB 1 57 SER QB . . 3.970 3.171 2.906 3.550 . 0 0 "[ . 1 . 2]" 1
1187 1 55 ALA MB 1 57 SER HB3 . . 4.690 3.361 2.942 4.619 . 0 0 "[ . 1 . 2]" 1
1188 1 55 ALA MB 1 66 LEU MD1 . . 3.020 2.032 1.866 2.300 . 0 0 "[ . 1 . 2]" 1
1189 1 55 ALA MB 1 68 ILE MD . . 4.060 3.747 3.022 4.054 . 0 0 "[ . 1 . 2]" 1
1190 1 55 ALA MB 1 79 TYR QD . . 5.500 5.399 5.257 5.502 0.002 20 0 "[ . 1 . 2]" 1
1191 1 56 ARG H 1 56 ARG QB . . 3.420 2.317 2.175 2.447 . 0 0 "[ . 1 . 2]" 1
1192 1 56 ARG H 1 56 ARG QD . . 4.880 4.037 3.262 4.899 0.019 12 0 "[ . 1 . 2]" 1
1193 1 56 ARG H 1 56 ARG HG2 . . 4.610 3.810 2.362 4.544 . 0 0 "[ . 1 . 2]" 1
1194 1 56 ARG H 1 56 ARG HG3 . . 4.610 2.886 2.332 4.479 . 0 0 "[ . 1 . 2]" 1
1195 1 56 ARG H 1 57 SER H . . 4.760 3.358 2.668 3.913 . 0 0 "[ . 1 . 2]" 1
1196 1 56 ARG H 1 66 LEU MD1 . . 4.150 3.262 2.090 3.792 . 0 0 "[ . 1 . 2]" 1
1197 1 56 ARG HA 1 56 ARG QD . . 4.520 3.939 2.483 4.220 . 0 0 "[ . 1 . 2]" 1
1198 1 56 ARG HA 1 56 ARG HG2 . . 3.950 2.520 2.197 2.847 . 0 0 "[ . 1 . 2]" 1
1199 1 56 ARG HA 1 56 ARG QG . . 3.410 2.360 2.161 2.699 . 0 0 "[ . 1 . 2]" 1
1200 1 56 ARG HA 1 56 ARG HG3 . . 3.950 2.962 2.540 3.805 . 0 0 "[ . 1 . 2]" 1
1201 1 56 ARG HA 1 57 SER H . . 3.220 2.679 2.353 3.166 . 0 0 "[ . 1 . 2]" 1
1202 1 56 ARG QB 1 57 SER H . . 4.220 3.864 3.535 3.909 . 0 0 "[ . 1 . 2]" 1
1203 1 56 ARG QB 1 67 HIS H . . 4.470 4.013 2.936 4.428 . 0 0 "[ . 1 . 2]" 1
1204 1 56 ARG QB 1 67 HIS QB . . 3.790 3.133 2.453 3.772 . 0 0 "[ . 1 . 2]" 1
1205 1 56 ARG QB 1 67 HIS HD2 . . 5.010 4.582 3.646 4.980 . 0 0 "[ . 1 . 2]" 1
1206 1 56 ARG QG 1 57 SER H . . 4.700 4.496 4.305 4.553 . 0 0 "[ . 1 . 2]" 1
1207 1 56 ARG HG2 1 57 SER H . . 5.500 5.043 4.541 5.409 . 0 0 "[ . 1 . 2]" 1
1208 1 56 ARG HG3 1 57 SER H . . 5.500 5.127 4.856 5.500 . 0 0 "[ . 1 . 2]" 1
1209 1 57 SER H 1 58 THR H . . 4.750 4.608 4.538 4.643 . 0 0 "[ . 1 . 2]" 1
1210 1 57 SER H 1 58 THR MG . . 5.040 4.569 4.034 4.838 . 0 0 "[ . 1 . 2]" 1
1211 1 57 SER H 1 66 LEU MD1 . . 4.230 3.014 2.336 3.441 . 0 0 "[ . 1 . 2]" 1
1212 1 57 SER HA 1 58 THR H . . 3.030 2.255 2.148 2.399 . 0 0 "[ . 1 . 2]" 1
1213 1 57 SER HA 1 66 LEU HA . . 3.720 2.239 2.013 2.359 . 0 0 "[ . 1 . 2]" 1
1214 1 57 SER HA 1 66 LEU MD1 . . 4.010 2.967 2.447 3.611 . 0 0 "[ . 1 . 2]" 1
1215 1 57 SER HA 1 67 HIS H . . 4.140 3.180 2.679 3.919 . 0 0 "[ . 1 . 2]" 1
1216 1 57 SER HA 1 67 HIS HD2 . . 5.080 3.722 3.177 4.359 . 0 0 "[ . 1 . 2]" 1
1217 1 57 SER QB 1 58 THR H . . 3.450 2.952 2.620 3.447 . 0 0 "[ . 1 . 2]" 1
1218 1 57 SER QB 1 66 LEU HA . . 4.490 3.031 2.174 4.098 . 0 0 "[ . 1 . 2]" 1
1219 1 57 SER QB 1 66 LEU QB . . 4.760 3.100 2.346 4.094 . 0 0 "[ . 1 . 2]" 1
1220 1 57 SER QB 1 66 LEU MD2 . . 5.340 4.249 3.855 5.071 . 0 0 "[ . 1 . 2]" 1
1221 1 57 SER HB2 1 58 THR H . . 4.130 3.128 2.664 4.094 . 0 0 "[ . 1 . 2]" 1
1222 1 57 SER HB2 1 66 LEU MD1 . . 3.570 3.109 1.961 3.543 . 0 0 "[ . 1 . 2]" 1
1223 1 57 SER HB3 1 58 THR H . . 4.130 3.951 2.836 4.109 . 0 0 "[ . 1 . 2]" 1
1224 1 57 SER HB3 1 66 LEU MD1 . . 3.570 2.407 1.853 3.582 0.012 18 0 "[ . 1 . 2]" 1
1225 1 58 THR H 1 58 THR MG . . 3.870 3.184 2.910 3.342 . 0 0 "[ . 1 . 2]" 1
1226 1 58 THR H 1 65 GLU QB . . 4.200 3.172 2.812 3.606 . 0 0 "[ . 1 . 2]" 1
1227 1 58 THR H 1 66 LEU HA . . 4.240 3.688 3.444 3.821 . 0 0 "[ . 1 . 2]" 1
1228 1 58 THR H 1 66 LEU MD1 . . 5.360 4.732 4.346 5.354 . 0 0 "[ . 1 . 2]" 1
1229 1 58 THR H 1 67 HIS HD2 . . 5.100 3.846 3.307 4.381 . 0 0 "[ . 1 . 2]" 1
1230 1 58 THR HB 1 59 CYS H . . 4.350 3.485 3.218 3.600 . 0 0 "[ . 1 . 2]" 1
1231 1 58 THR HB 1 60 GLU QG . . 4.280 3.893 3.571 4.295 0.015 15 0 "[ . 1 . 2]" 1
1232 1 58 THR MG 1 59 CYS H . . 4.760 3.962 3.764 4.071 . 0 0 "[ . 1 . 2]" 1
1233 1 58 THR MG 1 60 GLU QG . . 5.230 5.003 4.679 5.226 . 0 0 "[ . 1 . 2]" 1
1234 1 58 THR MG 1 67 HIS HD2 . . 4.500 3.715 3.109 4.376 . 0 0 "[ . 1 . 2]" 1
1235 1 59 CYS H 1 60 GLU H . . 4.940 4.344 4.079 4.537 . 0 0 "[ . 1 . 2]" 1
1236 1 59 CYS HA 1 60 GLU H . . 3.020 2.151 2.139 2.208 . 0 0 "[ . 1 . 2]" 1
1237 1 59 CYS HA 1 60 GLU QB . . 4.790 4.267 4.070 4.572 . 0 0 "[ . 1 . 2]" 1
1238 1 59 CYS HA 1 63 VAL H . . 5.090 3.977 3.620 4.885 . 0 0 "[ . 1 . 2]" 1
1239 1 59 CYS HA 1 64 ALA HA . . 3.540 2.260 2.042 2.490 . 0 0 "[ . 1 . 2]" 1
1240 1 59 CYS HA 1 64 ALA MB . . 3.980 3.768 3.497 3.972 . 0 0 "[ . 1 . 2]" 1
1241 1 59 CYS HA 1 65 GLU H . . 3.800 3.317 3.104 3.569 . 0 0 "[ . 1 . 2]" 1
1242 1 59 CYS HA 1 65 GLU HG2 . . 5.500 5.292 4.886 5.500 . 0 0 "[ . 1 . 2]" 1
1243 1 59 CYS HA 1 65 GLU HG3 . . 5.350 4.085 3.693 5.338 . 0 0 "[ . 1 . 2]" 1
1244 1 59 CYS QB 1 60 GLU H . . 4.070 3.528 2.935 3.948 . 0 0 "[ . 1 . 2]" 1
1245 1 59 CYS QB 1 64 ALA MB . . 3.800 3.004 2.342 3.562 . 0 0 "[ . 1 . 2]" 1
1246 1 59 CYS HB2 1 60 GLU H . . 4.730 3.831 3.005 4.550 . 0 0 "[ . 1 . 2]" 1
1247 1 59 CYS HB2 1 64 ALA HA . . 4.500 3.217 2.429 3.860 . 0 0 "[ . 1 . 2]" 1
1248 1 59 CYS HB2 1 64 ALA MB . . 4.430 3.534 2.360 4.339 . 0 0 "[ . 1 . 2]" 1
1249 1 59 CYS HB3 1 60 GLU H . . 4.730 4.270 3.475 4.497 . 0 0 "[ . 1 . 2]" 1
1250 1 59 CYS HB3 1 64 ALA HA . . 4.500 3.411 2.533 4.230 . 0 0 "[ . 1 . 2]" 1
1251 1 59 CYS HB3 1 64 ALA MB . . 4.430 3.693 2.937 4.421 . 0 0 "[ . 1 . 2]" 1
1252 1 60 GLU H 1 60 GLU QB . . 3.410 2.598 2.281 3.095 . 0 0 "[ . 1 . 2]" 1
1253 1 60 GLU H 1 60 GLU QG . . 3.910 3.193 1.919 3.907 . 0 0 "[ . 1 . 2]" 1
1254 1 60 GLU H 1 63 VAL H . . 3.900 2.801 2.448 3.476 . 0 0 "[ . 1 . 2]" 1
1255 1 60 GLU H 1 63 VAL HB . . 4.670 2.963 2.653 4.648 . 0 0 "[ . 1 . 2]" 1
1256 1 60 GLU H 1 64 ALA HA . . 4.030 3.904 3.650 4.025 . 0 0 "[ . 1 . 2]" 1
1257 1 60 GLU HA 1 60 GLU QG . . 3.690 2.585 2.154 3.431 . 0 0 "[ . 1 . 2]" 1
1258 1 60 GLU QB 1 61 ALA HA . . 5.320 4.832 4.483 5.082 . 0 0 "[ . 1 . 2]" 1
1259 1 60 GLU QB 1 61 ALA MB . . 3.750 3.244 2.949 3.408 . 0 0 "[ . 1 . 2]" 1
1260 1 60 GLU QB 1 63 VAL H . . 4.970 4.230 3.805 4.838 . 0 0 "[ . 1 . 2]" 1
1261 1 60 GLU QG 1 61 ALA MB . . 4.520 4.334 3.555 4.623 0.103 20 0 "[ . 1 . 2]" 1
1262 1 61 ALA H 1 62 GLY H . . 4.610 2.810 2.491 3.035 . 0 0 "[ . 1 . 2]" 1
1263 1 61 ALA HA 1 62 GLY H . . 3.410 2.819 2.704 2.979 . 0 0 "[ . 1 . 2]" 1
1264 1 61 ALA MB 1 62 GLY H . . 3.890 3.678 3.604 3.713 . 0 0 "[ . 1 . 2]" 1
1265 1 61 ALA MB 1 63 VAL H . . 4.240 3.861 3.367 4.163 . 0 0 "[ . 1 . 2]" 1
1266 1 61 ALA MB 1 63 VAL QG . . 3.520 2.855 2.425 3.306 . 0 0 "[ . 1 . 2]" 1
1267 1 62 GLY H 1 63 VAL H . . 3.340 2.585 2.457 2.786 . 0 0 "[ . 1 . 2]" 1
1268 1 62 GLY H 1 63 VAL HB . . 5.460 4.915 4.759 5.289 . 0 0 "[ . 1 . 2]" 1
1269 1 62 GLY H 1 63 VAL QG . . 4.550 4.103 3.658 4.406 . 0 0 "[ . 1 . 2]" 1
1270 1 62 GLY QA 1 63 VAL QG . . 4.810 3.589 3.414 4.103 . 0 0 "[ . 1 . 2]" 1
1271 1 63 VAL H 1 63 VAL HB . . 3.030 2.642 2.483 2.723 . 0 0 "[ . 1 . 2]" 1
1272 1 63 VAL H 1 63 VAL MG1 . . 3.980 3.764 2.174 3.889 . 0 0 "[ . 1 . 2]" 1
1273 1 63 VAL H 1 63 VAL QG . . 2.950 2.606 2.131 2.839 . 0 0 "[ . 1 . 2]" 1
1274 1 63 VAL H 1 63 VAL MG2 . . 3.980 2.737 2.142 3.772 . 0 0 "[ . 1 . 2]" 1
1275 1 63 VAL H 1 64 ALA H . . 4.470 3.913 3.734 4.163 . 0 0 "[ . 1 . 2]" 1
1276 1 63 VAL HA 1 63 VAL MG1 . . 3.210 2.428 2.297 3.188 . 0 0 "[ . 1 . 2]" 1
1277 1 63 VAL HA 1 63 VAL MG2 . . 3.210 2.376 2.285 2.471 . 0 0 "[ . 1 . 2]" 1
1278 1 63 VAL HA 1 64 ALA H . . 2.870 2.244 2.177 2.278 . 0 0 "[ . 1 . 2]" 1
1279 1 63 VAL HA 1 64 ALA MB . . 4.260 4.058 4.013 4.106 . 0 0 "[ . 1 . 2]" 1
1280 1 63 VAL HB 1 64 ALA H . . 4.890 4.462 4.390 4.550 . 0 0 "[ . 1 . 2]" 1
1281 1 63 VAL QG 1 64 ALA H . . 3.300 3.186 2.950 3.298 . 0 0 "[ . 1 . 2]" 1
1282 1 63 VAL QG 1 64 ALA HA . . 4.230 4.095 3.762 4.209 . 0 0 "[ . 1 . 2]" 1
1283 1 63 VAL QG 1 65 GLU H . . 5.440 4.542 4.297 4.758 . 0 0 "[ . 1 . 2]" 1
1284 1 63 VAL QG 1 65 GLU HG2 . . 3.860 2.613 2.307 2.875 . 0 0 "[ . 1 . 2]" 1
1285 1 63 VAL QG 1 65 GLU HG3 . . 3.310 2.664 2.476 3.020 . 0 0 "[ . 1 . 2]" 1
1286 1 63 VAL MG1 1 64 ALA H . . 4.320 3.331 3.009 4.114 . 0 0 "[ . 1 . 2]" 1
1287 1 63 VAL MG2 1 64 ALA H . . 4.320 4.216 3.345 4.295 . 0 0 "[ . 1 . 2]" 1
1288 1 64 ALA H 1 64 ALA MB . . 3.060 2.108 2.037 2.249 . 0 0 "[ . 1 . 2]" 1
1289 1 64 ALA H 1 65 GLU H . . 4.640 4.561 4.498 4.628 . 0 0 "[ . 1 . 2]" 1
1290 1 64 ALA H 1 65 GLU HG2 . . 5.310 4.781 4.513 5.211 . 0 0 "[ . 1 . 2]" 1
1291 1 64 ALA HA 1 65 GLU H . . 2.920 2.174 2.145 2.249 . 0 0 "[ . 1 . 2]" 1
1292 1 64 ALA MB 1 65 GLU H . . 3.550 3.046 2.787 3.217 . 0 0 "[ . 1 . 2]" 1
1293 1 64 ALA MB 1 65 GLU HA . . 4.550 3.943 3.857 4.069 . 0 0 "[ . 1 . 2]" 1
1294 1 64 ALA MB 1 65 GLU HG2 . . 4.860 4.620 4.381 4.772 . 0 0 "[ . 1 . 2]" 1
1295 1 64 ALA MB 1 81 CYS HG . . 4.100 3.689 3.350 3.991 . 0 0 "[ . 1 . 2]" 1
1296 1 65 GLU H 1 65 GLU QB . . 3.440 2.801 2.581 2.944 . 0 0 "[ . 1 . 2]" 1
1297 1 65 GLU H 1 65 GLU HG2 . . 4.220 3.626 3.297 3.910 . 0 0 "[ . 1 . 2]" 1
1298 1 65 GLU H 1 65 GLU HG3 . . 4.930 3.164 2.857 4.163 . 0 0 "[ . 1 . 2]" 1
1299 1 65 GLU H 1 66 LEU H . . 4.640 4.368 4.219 4.436 . 0 0 "[ . 1 . 2]" 1
1300 1 65 GLU HA 1 65 GLU HG2 . . 4.140 2.547 2.359 2.718 . 0 0 "[ . 1 . 2]" 1
1301 1 65 GLU HA 1 65 GLU HG3 . . 4.230 3.475 3.352 3.727 . 0 0 "[ . 1 . 2]" 1
1302 1 65 GLU HA 1 66 LEU H . . 3.010 2.244 2.159 2.307 . 0 0 "[ . 1 . 2]" 1
1303 1 65 GLU HA 1 66 LEU QB . . 5.030 3.955 3.911 4.017 . 0 0 "[ . 1 . 2]" 1
1304 1 65 GLU QB 1 67 HIS HD2 . . 4.290 3.284 2.710 3.700 . 0 0 "[ . 1 . 2]" 1
1305 1 65 GLU QB 1 67 HIS HE1 . . 5.340 4.877 4.258 5.278 . 0 0 "[ . 1 . 2]" 1
1306 1 65 GLU HB2 1 66 LEU H . . 4.010 3.829 3.564 4.002 . 0 0 "[ . 1 . 2]" 1
1307 1 65 GLU HB2 1 67 HIS HD2 . . 4.950 3.582 3.158 3.872 . 0 0 "[ . 1 . 2]" 1
1308 1 65 GLU HB3 1 66 LEU H . . 4.010 2.892 2.691 3.263 . 0 0 "[ . 1 . 2]" 1
1309 1 65 GLU HB3 1 67 HIS HD2 . . 4.950 3.897 2.787 4.742 . 0 0 "[ . 1 . 2]" 1
1310 1 65 GLU HG2 1 66 LEU H . . 4.850 4.460 4.170 4.662 . 0 0 "[ . 1 . 2]" 1
1311 1 66 LEU H 1 66 LEU HB2 . . 3.890 3.133 3.013 3.267 . 0 0 "[ . 1 . 2]" 1
1312 1 66 LEU H 1 66 LEU QB . . 3.270 2.517 2.341 2.597 . 0 0 "[ . 1 . 2]" 1
1313 1 66 LEU H 1 66 LEU HB3 . . 3.890 2.656 2.416 2.807 . 0 0 "[ . 1 . 2]" 1
1314 1 66 LEU H 1 66 LEU MD1 . . 4.720 4.451 4.332 4.544 . 0 0 "[ . 1 . 2]" 1
1315 1 66 LEU HA 1 66 LEU MD1 . . 3.160 2.400 2.049 2.709 . 0 0 "[ . 1 . 2]" 1
1316 1 66 LEU HA 1 66 LEU MD2 . . 4.310 3.938 3.889 3.997 . 0 0 "[ . 1 . 2]" 1
1317 1 66 LEU HA 1 67 HIS H . . 3.000 2.190 2.150 2.211 . 0 0 "[ . 1 . 2]" 1
1318 1 66 LEU HA 1 67 HIS QB . . 4.590 4.414 4.309 4.529 . 0 0 "[ . 1 . 2]" 1
1319 1 66 LEU QB 1 66 LEU MD1 . . 3.190 2.122 2.000 2.288 . 0 0 "[ . 1 . 2]" 1
1320 1 66 LEU HB2 1 67 HIS H . . 4.630 4.470 4.351 4.534 . 0 0 "[ . 1 . 2]" 1
1321 1 66 LEU HB3 1 67 HIS H . . 4.630 4.431 4.352 4.493 . 0 0 "[ . 1 . 2]" 1
1322 1 66 LEU MD1 1 67 HIS H . . 3.670 3.502 3.252 3.653 . 0 0 "[ . 1 . 2]" 1
1323 1 66 LEU MD1 1 68 ILE MD . . 3.260 2.711 2.455 3.018 . 0 0 "[ . 1 . 2]" 1
1324 1 66 LEU MD1 1 79 TYR QD . . 4.970 4.387 4.047 4.845 . 0 0 "[ . 1 . 2]" 1
1325 1 66 LEU MD1 1 79 TYR QE . . 4.730 4.056 3.486 4.533 . 0 0 "[ . 1 . 2]" 1
1326 1 66 LEU MD2 1 79 TYR HA . . 5.500 5.043 4.556 5.467 . 0 0 "[ . 1 . 2]" 1
1327 1 66 LEU MD2 1 79 TYR QD . . 3.470 2.530 2.080 3.073 . 0 0 "[ . 1 . 2]" 1
1328 1 66 LEU MD2 1 79 TYR QE . . 3.670 2.268 1.934 2.758 . 0 0 "[ . 1 . 2]" 1
1329 1 66 LEU HG 1 67 HIS H . . 3.980 3.649 3.314 3.833 . 0 0 "[ . 1 . 2]" 1
1330 1 67 HIS H 1 67 HIS QB . . 3.250 2.411 2.286 2.540 . 0 0 "[ . 1 . 2]" 1
1331 1 67 HIS H 1 67 HIS HD2 . . 3.990 2.246 2.000 2.831 . 0 0 "[ . 1 . 2]" 1
1332 1 67 HIS H 1 68 ILE MD . . 4.610 4.429 4.220 4.594 . 0 0 "[ . 1 . 2]" 1
1333 1 67 HIS HA 1 67 HIS HD2 . . 4.500 3.807 3.321 4.128 . 0 0 "[ . 1 . 2]" 1
1334 1 67 HIS HA 1 68 ILE H . . 3.010 2.144 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
1335 1 67 HIS QB 1 68 ILE H . . 3.970 3.369 3.186 3.574 . 0 0 "[ . 1 . 2]" 1
1336 1 67 HIS QB 1 68 ILE MD . . 5.340 4.475 4.265 4.709 . 0 0 "[ . 1 . 2]" 1
1337 1 68 ILE H 1 68 ILE HB . . 3.480 2.671 2.548 2.729 . 0 0 "[ . 1 . 2]" 1
1338 1 68 ILE H 1 68 ILE MD . . 4.150 3.772 3.622 3.945 . 0 0 "[ . 1 . 2]" 1
1339 1 68 ILE H 1 68 ILE HG12 . . 4.270 2.862 2.749 2.973 . 0 0 "[ . 1 . 2]" 1
1340 1 68 ILE H 1 68 ILE QG . . 3.660 2.814 2.702 2.920 . 0 0 "[ . 1 . 2]" 1
1341 1 68 ILE H 1 68 ILE HG13 . . 4.270 4.166 3.983 4.270 0.000 20 0 "[ . 1 . 2]" 1
1342 1 68 ILE H 1 68 ILE MG . . 3.970 3.859 3.794 3.892 . 0 0 "[ . 1 . 2]" 1
1343 1 68 ILE HA 1 68 ILE MD . . 3.160 2.077 1.976 2.213 . 0 0 "[ . 1 . 2]" 1
1344 1 68 ILE HA 1 68 ILE HG12 . . 4.190 3.023 2.919 3.095 . 0 0 "[ . 1 . 2]" 1
1345 1 68 ILE HA 1 68 ILE QG . . 3.670 2.899 2.830 2.953 . 0 0 "[ . 1 . 2]" 1
1346 1 68 ILE HA 1 68 ILE HG13 . . 4.190 3.731 3.673 3.799 . 0 0 "[ . 1 . 2]" 1
1347 1 68 ILE HA 1 68 ILE MG . . 3.120 2.357 2.257 2.460 . 0 0 "[ . 1 . 2]" 1
1348 1 68 ILE HA 1 69 GLN H . . 2.810 2.182 2.140 2.218 . 0 0 "[ . 1 . 2]" 1
1349 1 68 ILE HA 1 69 GLN HB3 . . 5.040 4.679 4.507 4.777 . 0 0 "[ . 1 . 2]" 1
1350 1 68 ILE HA 1 69 GLN QG . . 4.530 4.020 3.786 4.528 . 0 0 "[ . 1 . 2]" 1
1351 1 68 ILE HB 1 69 GLN H . . 4.590 4.398 4.292 4.464 . 0 0 "[ . 1 . 2]" 1
1352 1 68 ILE MD 1 69 GLN H . . 4.000 3.807 3.526 3.992 . 0 0 "[ . 1 . 2]" 1
1353 1 68 ILE MD 1 79 TYR QE . . 3.910 3.082 2.724 3.643 . 0 0 "[ . 1 . 2]" 1
1354 1 68 ILE QG 1 68 ILE MG . . 2.920 2.303 2.226 2.395 . 0 0 "[ . 1 . 2]" 1
1355 1 68 ILE QG 1 79 TYR QE . . 4.320 3.390 2.679 3.735 . 0 0 "[ . 1 . 2]" 1
1356 1 68 ILE HG12 1 68 ILE MG . . 3.540 3.190 3.174 3.200 . 0 0 "[ . 1 . 2]" 1
1357 1 68 ILE HG13 1 68 ILE MG . . 3.540 2.363 2.272 2.476 . 0 0 "[ . 1 . 2]" 1
1358 1 68 ILE MG 1 69 GLN H . . 3.330 3.069 2.669 3.320 . 0 0 "[ . 1 . 2]" 1
1359 1 68 ILE MG 1 69 GLN QG . . 4.490 4.230 4.035 4.488 . 0 0 "[ . 1 . 2]" 1
1360 1 68 ILE MG 1 71 ALA H . . 4.480 4.091 3.796 4.364 . 0 0 "[ . 1 . 2]" 1
1361 1 68 ILE MG 1 71 ALA HA . . 3.820 2.959 2.693 3.178 . 0 0 "[ . 1 . 2]" 1
1362 1 68 ILE MG 1 71 ALA MB . . 3.750 3.260 2.993 3.539 . 0 0 "[ . 1 . 2]" 1
1363 1 68 ILE MG 1 72 LEU H . . 4.590 4.241 3.942 4.430 . 0 0 "[ . 1 . 2]" 1
1364 1 68 ILE MG 1 75 ASP HB2 . . 4.660 4.451 4.221 4.651 . 0 0 "[ . 1 . 2]" 1
1365 1 68 ILE MG 1 75 ASP QB . . 3.980 3.739 3.439 3.981 0.001 2 0 "[ . 1 . 2]" 1
1366 1 68 ILE MG 1 75 ASP HB3 . . 4.660 4.036 3.611 4.493 . 0 0 "[ . 1 . 2]" 1
1367 1 69 GLN H 1 69 GLN HB2 . . 3.780 3.658 3.624 3.746 . 0 0 "[ . 1 . 2]" 1
1368 1 69 GLN H 1 69 GLN HB3 . . 3.420 2.749 2.593 2.964 . 0 0 "[ . 1 . 2]" 1
1369 1 69 GLN H 1 69 GLN QG . . 3.680 2.169 1.907 2.630 . 0 0 "[ . 1 . 2]" 1
1370 1 69 GLN H 1 70 ASP H . . 4.610 4.575 4.514 4.607 . 0 0 "[ . 1 . 2]" 1
1371 1 69 GLN HA 1 69 GLN QG . . 3.560 3.356 3.331 3.458 . 0 0 "[ . 1 . 2]" 1
1372 1 69 GLN HA 1 70 ASP H . . 3.040 2.361 2.292 2.428 . 0 0 "[ . 1 . 2]" 1
1373 1 69 GLN HA 1 70 ASP HA . . 4.580 4.486 4.453 4.518 . 0 0 "[ . 1 . 2]" 1
1374 1 69 GLN HA 1 71 ALA H . . 4.220 3.738 3.535 3.867 . 0 0 "[ . 1 . 2]" 1
1375 1 69 GLN HB2 1 70 ASP HB2 . . 4.690 3.915 3.650 4.210 . 0 0 "[ . 1 . 2]" 1
1376 1 69 GLN HB2 1 70 ASP HB3 . . 5.500 5.176 4.520 5.495 . 0 0 "[ . 1 . 2]" 1
1377 1 69 GLN QG 1 70 ASP H . . 4.120 3.600 3.348 4.098 . 0 0 "[ . 1 . 2]" 1
1378 1 69 GLN QG 1 70 ASP HB2 . . 4.460 2.944 2.610 3.917 . 0 0 "[ . 1 . 2]" 1
1379 1 69 GLN QG 1 70 ASP HB3 . . 4.710 4.079 3.229 4.598 . 0 0 "[ . 1 . 2]" 1
1380 1 70 ASP H 1 70 ASP HB2 . . 3.960 3.212 2.948 3.476 . 0 0 "[ . 1 . 2]" 1
1381 1 70 ASP H 1 71 ALA H . . 3.570 2.817 2.685 2.934 . 0 0 "[ . 1 . 2]" 1
1382 1 70 ASP HA 1 71 ALA H . . 3.120 2.692 2.636 2.788 . 0 0 "[ . 1 . 2]" 1
1383 1 70 ASP HA 1 71 ALA HA . . 5.010 4.732 4.688 4.788 . 0 0 "[ . 1 . 2]" 1
1384 1 70 ASP HA 1 71 ALA MB . . 4.460 4.308 4.251 4.345 . 0 0 "[ . 1 . 2]" 1
1385 1 70 ASP HA 1 72 LEU H . . 5.500 5.278 5.107 5.451 . 0 0 "[ . 1 . 2]" 1
1386 1 70 ASP HB2 1 71 ALA H . . 4.670 4.470 4.262 4.644 . 0 0 "[ . 1 . 2]" 1
1387 1 70 ASP HB3 1 71 ALA H . . 4.430 4.335 4.234 4.416 . 0 0 "[ . 1 . 2]" 1
1388 1 70 ASP HB3 1 71 ALA HA . . 5.400 4.960 4.775 5.190 . 0 0 "[ . 1 . 2]" 1
1389 1 71 ALA H 1 71 ALA MB . . 2.870 2.122 2.038 2.231 . 0 0 "[ . 1 . 2]" 1
1390 1 71 ALA H 1 72 LEU H . . 4.480 4.267 4.204 4.348 . 0 0 "[ . 1 . 2]" 1
1391 1 71 ALA H 1 98 VAL MG1 . . 5.500 4.989 4.628 5.304 . 0 0 "[ . 1 . 2]" 1
1392 1 71 ALA HA 1 72 LEU H . . 3.080 2.201 2.167 2.232 . 0 0 "[ . 1 . 2]" 1
1393 1 71 ALA HA 1 72 LEU HB2 . . 4.780 4.480 4.377 4.613 . 0 0 "[ . 1 . 2]" 1
1394 1 71 ALA HA 1 72 LEU HG . . 4.700 4.552 4.332 4.700 . 0 0 "[ . 1 . 2]" 1
1395 1 71 ALA HA 1 75 ASP QB . . 4.570 3.733 3.535 3.860 . 0 0 "[ . 1 . 2]" 1
1396 1 71 ALA MB 1 72 LEU H . . 3.550 3.504 3.421 3.561 0.011 14 0 "[ . 1 . 2]" 1
1397 1 71 ALA MB 1 75 ASP QB . . 4.320 4.211 3.954 4.316 . 0 0 "[ . 1 . 2]" 1
1398 1 71 ALA MB 1 96 VAL QG . . 4.590 4.369 4.145 4.544 . 0 0 "[ . 1 . 2]" 1
1399 1 71 ALA MB 1 98 VAL MG1 . . 3.070 2.312 1.955 2.834 . 0 0 "[ . 1 . 2]" 1
1400 1 71 ALA MB 1 98 VAL MG2 . . 3.390 2.595 2.349 2.982 . 0 0 "[ . 1 . 2]" 1
1401 1 72 LEU H 1 72 LEU HB2 . . 4.150 2.301 2.222 2.428 . 0 0 "[ . 1 . 2]" 1
1402 1 72 LEU H 1 72 LEU HB3 . . 3.780 3.566 3.519 3.611 . 0 0 "[ . 1 . 2]" 1
1403 1 72 LEU H 1 72 LEU MD1 . . 4.190 3.724 3.505 4.034 . 0 0 "[ . 1 . 2]" 1
1404 1 72 LEU H 1 72 LEU MD2 . . 4.150 3.861 3.272 4.083 . 0 0 "[ . 1 . 2]" 1
1405 1 72 LEU H 1 72 LEU HG . . 3.970 2.877 2.579 3.036 . 0 0 "[ . 1 . 2]" 1
1406 1 72 LEU H 1 73 PRO HD2 . . 5.000 4.780 4.763 4.795 . 0 0 "[ . 1 . 2]" 1
1407 1 72 LEU H 1 73 PRO HD3 . . 5.500 5.069 5.056 5.080 . 0 0 "[ . 1 . 2]" 1
1408 1 72 LEU H 1 75 ASP H . . 4.450 4.143 3.925 4.447 . 0 0 "[ . 1 . 2]" 1
1409 1 72 LEU H 1 75 ASP HB2 . . 4.510 3.084 2.678 3.805 . 0 0 "[ . 1 . 2]" 1
1410 1 72 LEU H 1 75 ASP QB . . 3.860 2.863 2.623 3.333 . 0 0 "[ . 1 . 2]" 1
1411 1 72 LEU H 1 75 ASP HB3 . . 4.510 3.795 2.751 4.476 . 0 0 "[ . 1 . 2]" 1
1412 1 72 LEU H 1 98 VAL MG1 . . 4.610 4.210 3.566 4.565 . 0 0 "[ . 1 . 2]" 1
1413 1 72 LEU HA 1 72 LEU MD2 . . 3.450 2.085 1.942 2.247 . 0 0 "[ . 1 . 2]" 1
1414 1 72 LEU HB2 1 72 LEU MD1 . . 3.300 2.260 2.067 2.535 . 0 0 "[ . 1 . 2]" 1
1415 1 72 LEU HB2 1 72 LEU MD2 . . 3.270 3.179 3.167 3.189 . 0 0 "[ . 1 . 2]" 1
1416 1 72 LEU HB2 1 73 PRO HD2 . . 3.870 3.637 3.589 3.711 . 0 0 "[ . 1 . 2]" 1
1417 1 72 LEU HB2 1 73 PRO HD3 . . 4.900 4.706 4.669 4.754 . 0 0 "[ . 1 . 2]" 1
1418 1 72 LEU HB2 1 74 GLU H . . 3.940 3.198 2.875 3.611 . 0 0 "[ . 1 . 2]" 1
1419 1 72 LEU HB2 1 74 GLU HG2 . . 4.670 3.068 2.407 4.257 . 0 0 "[ . 1 . 2]" 1
1420 1 72 LEU HB2 1 74 GLU QG . . 4.080 2.835 2.376 3.938 . 0 0 "[ . 1 . 2]" 1
1421 1 72 LEU HB2 1 74 GLU HG3 . . 4.670 3.499 2.919 4.640 . 0 0 "[ . 1 . 2]" 1
1422 1 72 LEU HB3 1 72 LEU MD1 . . 3.210 2.422 2.133 2.566 . 0 0 "[ . 1 . 2]" 1
1423 1 72 LEU HB3 1 72 LEU MD2 . . 3.420 2.305 2.190 2.478 . 0 0 "[ . 1 . 2]" 1
1424 1 72 LEU HB3 1 73 PRO HD2 . . 4.280 2.030 1.997 2.144 . 0 0 "[ . 1 . 2]" 1
1425 1 72 LEU HB3 1 73 PRO HD3 . . 3.900 3.470 3.444 3.565 . 0 0 "[ . 1 . 2]" 1
1426 1 72 LEU HB3 1 74 GLU H . . 4.160 2.342 2.271 2.548 . 0 0 "[ . 1 . 2]" 1
1427 1 72 LEU HB3 1 74 GLU QB . . 4.440 3.938 3.504 4.194 . 0 0 "[ . 1 . 2]" 1
1428 1 72 LEU HB3 1 74 GLU HG2 . . 4.510 2.324 2.072 2.946 . 0 0 "[ . 1 . 2]" 1
1429 1 72 LEU HB3 1 74 GLU QG . . 3.960 2.283 2.059 2.824 . 0 0 "[ . 1 . 2]" 1
1430 1 72 LEU HB3 1 74 GLU HG3 . . 4.510 3.521 2.809 4.233 . 0 0 "[ . 1 . 2]" 1
1431 1 72 LEU HB3 1 75 ASP H . . 4.430 3.617 2.846 4.299 . 0 0 "[ . 1 . 2]" 1
1432 1 72 LEU MD1 1 73 PRO HD3 . . 5.040 4.957 4.585 5.044 0.004 4 0 "[ . 1 . 2]" 1
1433 1 72 LEU MD1 1 74 GLU H . . 4.430 4.096 3.829 4.264 . 0 0 "[ . 1 . 2]" 1
1434 1 72 LEU MD1 1 74 GLU HG2 . . 4.090 2.883 2.547 3.978 . 0 0 "[ . 1 . 2]" 1
1435 1 72 LEU MD1 1 74 GLU QG . . 3.590 2.724 2.470 3.315 . 0 0 "[ . 1 . 2]" 1
1436 1 72 LEU MD1 1 74 GLU HG3 . . 4.090 3.477 3.109 3.967 . 0 0 "[ . 1 . 2]" 1
1437 1 72 LEU MD2 1 73 PRO HD2 . . 3.550 2.121 1.970 2.619 . 0 0 "[ . 1 . 2]" 1
1438 1 72 LEU MD2 1 73 PRO HD3 . . 3.570 2.799 2.613 3.204 . 0 0 "[ . 1 . 2]" 1
1439 1 73 PRO HA 1 75 ASP H . . 4.610 3.864 3.623 4.157 . 0 0 "[ . 1 . 2]" 1
1440 1 73 PRO HA 1 76 HIS H . . 4.520 3.830 3.600 4.073 . 0 0 "[ . 1 . 2]" 1
1441 1 73 PRO HA 1 98 VAL HB . . 3.630 2.521 2.207 2.800 . 0 0 "[ . 1 . 2]" 1
1442 1 73 PRO HA 1 98 VAL MG1 . . 3.440 2.782 2.292 3.093 . 0 0 "[ . 1 . 2]" 1
1443 1 73 PRO HA 1 98 VAL MG2 . . 3.990 3.546 3.119 3.974 . 0 0 "[ . 1 . 2]" 1
1444 1 73 PRO HB2 1 74 GLU H . . 4.150 3.800 3.555 3.968 . 0 0 "[ . 1 . 2]" 1
1445 1 73 PRO HB3 1 74 GLU H . . 4.620 4.411 4.270 4.506 . 0 0 "[ . 1 . 2]" 1
1446 1 73 PRO HB3 1 98 VAL MG1 . . 3.820 3.570 3.166 3.789 . 0 0 "[ . 1 . 2]" 1
1447 1 73 PRO HD2 1 74 GLU H . . 4.610 2.857 2.689 3.030 . 0 0 "[ . 1 . 2]" 1
1448 1 73 PRO HD3 1 74 GLU H . . 4.320 3.954 3.865 4.045 . 0 0 "[ . 1 . 2]" 1
1449 1 73 PRO QG 1 74 GLU H . . 4.150 3.000 2.633 3.277 . 0 0 "[ . 1 . 2]" 1
1450 1 73 PRO HG2 1 74 GLU H . . 4.940 3.055 2.665 3.352 . 0 0 "[ . 1 . 2]" 1
1451 1 73 PRO HG3 1 74 GLU H . . 4.940 4.396 4.101 4.621 . 0 0 "[ . 1 . 2]" 1
1452 1 74 GLU H 1 74 GLU QB . . 3.430 2.728 2.577 2.905 . 0 0 "[ . 1 . 2]" 1
1453 1 74 GLU H 1 74 GLU HG2 . . 4.220 2.217 1.961 2.573 . 0 0 "[ . 1 . 2]" 1
1454 1 74 GLU H 1 74 GLU QG . . 3.540 2.155 1.946 2.454 . 0 0 "[ . 1 . 2]" 1
1455 1 74 GLU H 1 74 GLU HG3 . . 4.220 3.046 2.509 3.619 . 0 0 "[ . 1 . 2]" 1
1456 1 74 GLU H 1 75 ASP H . . 3.840 2.226 2.090 2.385 . 0 0 "[ . 1 . 2]" 1
1457 1 74 GLU H 1 98 VAL MG1 . . 5.500 4.925 4.554 5.299 . 0 0 "[ . 1 . 2]" 1
1458 1 74 GLU HA 1 74 GLU HG2 . . 3.920 3.777 3.063 3.916 . 0 0 "[ . 1 . 2]" 1
1459 1 74 GLU HA 1 74 GLU QG . . 3.420 3.315 2.960 3.340 . 0 0 "[ . 1 . 2]" 1
1460 1 74 GLU HA 1 74 GLU HG3 . . 3.920 3.694 3.590 3.922 0.002 10 0 "[ . 1 . 2]" 1
1461 1 74 GLU HA 1 76 HIS H . . 4.230 4.091 3.821 4.227 . 0 0 "[ . 1 . 2]" 1
1462 1 74 GLU QB 1 75 ASP H . . 4.400 3.752 2.926 3.991 . 0 0 "[ . 1 . 2]" 1
1463 1 75 ASP H 1 75 ASP HB2 . . 3.890 2.473 2.200 3.057 . 0 0 "[ . 1 . 2]" 1
1464 1 75 ASP H 1 75 ASP QB . . 3.280 2.263 2.178 2.511 . 0 0 "[ . 1 . 2]" 1
1465 1 75 ASP H 1 75 ASP HB3 . . 3.890 3.082 2.295 3.613 . 0 0 "[ . 1 . 2]" 1
1466 1 75 ASP H 1 76 HIS H . . 3.380 2.295 1.885 2.635 . 0 0 "[ . 1 . 2]" 1
1467 1 75 ASP H 1 98 VAL MG2 . . 4.300 4.075 3.509 4.271 . 0 0 "[ . 1 . 2]" 1
1468 1 75 ASP QB 1 98 VAL MG2 . . 3.680 3.350 2.654 3.670 . 0 0 "[ . 1 . 2]" 1
1469 1 76 HIS H 1 76 HIS HB2 . . 3.900 3.265 2.784 3.557 . 0 0 "[ . 1 . 2]" 1
1470 1 76 HIS H 1 76 HIS QB . . 3.210 2.194 2.161 2.276 . 0 0 "[ . 1 . 2]" 1
1471 1 76 HIS H 1 76 HIS HB3 . . 3.900 2.243 2.182 2.348 . 0 0 "[ . 1 . 2]" 1
1472 1 76 HIS H 1 77 GLY H . . 4.930 4.520 4.248 4.647 . 0 0 "[ . 1 . 2]" 1
1473 1 76 HIS H 1 98 VAL HB . . 4.880 4.021 3.566 4.525 . 0 0 "[ . 1 . 2]" 1
1474 1 76 HIS H 1 98 VAL MG2 . . 4.000 2.998 2.659 3.394 . 0 0 "[ . 1 . 2]" 1
1475 1 76 HIS HA 1 77 GLY H . . 3.290 2.207 2.145 2.300 . 0 0 "[ . 1 . 2]" 1
1476 1 76 HIS HA 1 96 VAL QG . . 3.880 3.552 3.057 3.842 . 0 0 "[ . 1 . 2]" 1
1477 1 76 HIS HA 1 98 VAL MG2 . . 3.560 2.964 2.751 3.381 . 0 0 "[ . 1 . 2]" 1
1478 1 76 HIS QB 1 77 GLY H . . 3.970 3.327 2.809 3.972 0.002 14 0 "[ . 1 . 2]" 1
1479 1 76 HIS QB 1 97 THR HA . . 4.090 2.866 2.457 3.047 . 0 0 "[ . 1 . 2]" 1
1480 1 76 HIS QB 1 98 VAL HB . . 3.950 2.788 2.232 3.069 . 0 0 "[ . 1 . 2]" 1
1481 1 76 HIS QB 1 98 VAL MG1 . . 4.320 4.045 3.579 4.321 0.001 10 0 "[ . 1 . 2]" 1
1482 1 76 HIS QB 1 98 VAL MG2 . . 3.360 2.259 1.895 2.796 . 0 0 "[ . 1 . 2]" 1
1483 1 76 HIS HB2 1 77 GLY H . . 4.570 3.493 2.858 4.349 . 0 0 "[ . 1 . 2]" 1
1484 1 76 HIS HB2 1 97 THR HA . . 4.670 2.914 2.497 3.089 . 0 0 "[ . 1 . 2]" 1
1485 1 76 HIS HB2 1 98 VAL HB . . 4.500 3.604 2.762 4.308 . 0 0 "[ . 1 . 2]" 1
1486 1 76 HIS HB2 1 98 VAL MG2 . . 3.940 2.639 2.249 2.939 . 0 0 "[ . 1 . 2]" 1
1487 1 76 HIS HB3 1 77 GLY H . . 4.570 4.356 4.123 4.590 0.020 14 0 "[ . 1 . 2]" 1
1488 1 76 HIS HB3 1 97 THR HA . . 4.670 4.257 3.653 4.673 0.003 4 0 "[ . 1 . 2]" 1
1489 1 76 HIS HB3 1 98 VAL HB . . 4.500 3.173 2.263 3.977 . 0 0 "[ . 1 . 2]" 1
1490 1 76 HIS HB3 1 98 VAL MG2 . . 3.940 2.735 1.964 3.910 . 0 0 "[ . 1 . 2]" 1
1491 1 76 HIS HD2 1 77 GLY H . . 4.650 4.102 2.580 4.642 . 0 0 "[ . 1 . 2]" 1
1492 1 76 HIS HD2 1 77 GLY QA . . 4.810 4.197 3.248 4.680 . 0 0 "[ . 1 . 2]" 1
1493 1 76 HIS HD2 1 95 TRP HZ2 . . 4.930 4.468 3.697 4.922 . 0 0 "[ . 1 . 2]" 1
1494 1 76 HIS HD2 1 98 VAL MG2 . . 4.820 4.636 4.038 4.821 0.001 6 0 "[ . 1 . 2]" 1
1495 1 77 GLY H 1 78 THR H . . 5.060 4.023 3.830 4.204 . 0 0 "[ . 1 . 2]" 1
1496 1 77 GLY H 1 79 TYR QE . . 4.680 3.555 3.032 4.314 . 0 0 "[ . 1 . 2]" 1
1497 1 77 GLY H 1 96 VAL H . . 4.280 3.820 3.282 4.282 0.002 10 0 "[ . 1 . 2]" 1
1498 1 77 GLY H 1 96 VAL HB . . 4.180 3.269 2.834 3.776 . 0 0 "[ . 1 . 2]" 1
1499 1 77 GLY H 1 96 VAL MG1 . . 5.500 4.134 3.696 4.417 . 0 0 "[ . 1 . 2]" 1
1500 1 77 GLY H 1 96 VAL QG . . 4.350 3.842 3.534 4.154 . 0 0 "[ . 1 . 2]" 1
1501 1 77 GLY H 1 96 VAL MG2 . . 5.500 4.597 4.106 5.053 . 0 0 "[ . 1 . 2]" 1
1502 1 77 GLY H 1 98 VAL MG2 . . 5.030 4.588 4.361 4.816 . 0 0 "[ . 1 . 2]" 1
1503 1 77 GLY QA 1 78 THR H . . 2.980 2.125 2.108 2.177 . 0 0 "[ . 1 . 2]" 1
1504 1 78 THR H 1 78 THR HB . . 3.350 2.785 2.680 2.961 . 0 0 "[ . 1 . 2]" 1
1505 1 78 THR H 1 78 THR MG . . 4.030 3.908 3.834 3.947 . 0 0 "[ . 1 . 2]" 1
1506 1 78 THR MG 1 79 TYR H . . 3.900 3.167 2.923 3.336 . 0 0 "[ . 1 . 2]" 1
1507 1 78 THR MG 1 94 ALA H . . 3.990 2.723 1.968 3.261 . 0 0 "[ . 1 . 2]" 1
1508 1 79 TYR H 1 79 TYR QD . . 4.170 2.395 2.059 2.772 . 0 0 "[ . 1 . 2]" 1
1509 1 79 TYR H 1 94 ALA H . . 4.090 3.596 3.277 3.962 . 0 0 "[ . 1 . 2]" 1
1510 1 79 TYR HA 1 79 TYR QD . . 4.380 2.969 2.667 3.103 . 0 0 "[ . 1 . 2]" 1
1511 1 79 TYR HA 1 80 THR H . . 3.330 2.176 2.137 2.293 . 0 0 "[ . 1 . 2]" 1
1512 1 79 TYR QB 1 80 THR H . . 4.370 3.170 2.664 3.523 . 0 0 "[ . 1 . 2]" 1
1513 1 79 TYR QB 1 94 ALA H . . 4.660 3.899 3.597 4.226 . 0 0 "[ . 1 . 2]" 1
1514 1 79 TYR QB 1 96 VAL QG . . 4.310 3.216 2.847 3.536 . 0 0 "[ . 1 . 2]" 1
1515 1 79 TYR QD 1 80 THR H . . 4.910 4.018 3.536 4.585 . 0 0 "[ . 1 . 2]" 1
1516 1 79 TYR QD 1 94 ALA H . . 5.500 5.390 5.040 5.505 0.005 4 0 "[ . 1 . 2]" 1
1517 1 79 TYR QD 1 94 ALA MB . . 4.770 4.205 3.639 4.731 . 0 0 "[ . 1 . 2]" 1
1518 1 79 TYR QD 1 96 VAL HB . . 3.900 2.964 2.448 3.296 . 0 0 "[ . 1 . 2]" 1
1519 1 79 TYR QD 1 96 VAL MG1 . . 4.190 4.026 3.807 4.183 . 0 0 "[ . 1 . 2]" 1
1520 1 79 TYR QD 1 96 VAL QG . . 3.280 2.328 2.026 2.687 . 0 0 "[ . 1 . 2]" 1
1521 1 79 TYR QD 1 96 VAL MG2 . . 4.190 2.346 2.033 2.723 . 0 0 "[ . 1 . 2]" 1
1522 1 79 TYR QE 1 96 VAL HB . . 3.730 2.865 2.318 3.589 . 0 0 "[ . 1 . 2]" 1
1523 1 79 TYR QE 1 96 VAL MG1 . . 3.640 3.223 2.582 3.588 . 0 0 "[ . 1 . 2]" 1
1524 1 79 TYR QE 1 96 VAL QG . . 3.160 2.836 2.313 3.105 . 0 0 "[ . 1 . 2]" 1
1525 1 79 TYR QE 1 96 VAL MG2 . . 3.640 3.173 2.481 3.567 . 0 0 "[ . 1 . 2]" 1
1526 1 80 THR H 1 80 THR MG . . 4.500 3.869 3.804 3.963 . 0 0 "[ . 1 . 2]" 1
1527 1 80 THR HA 1 80 THR MG . . 3.610 2.393 2.284 2.480 . 0 0 "[ . 1 . 2]" 1
1528 1 80 THR HA 1 81 CYS H . . 3.520 2.150 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
1529 1 80 THR HA 1 92 CYS H . . 4.860 4.526 4.247 4.828 . 0 0 "[ . 1 . 2]" 1
1530 1 80 THR HA 1 93 SER HA . . 3.720 2.194 1.999 2.649 . 0 0 "[ . 1 . 2]" 1
1531 1 80 THR HA 1 93 SER QB . . 4.700 3.522 2.880 4.012 . 0 0 "[ . 1 . 2]" 1
1532 1 80 THR HA 1 94 ALA H . . 4.250 3.729 3.332 4.035 . 0 0 "[ . 1 . 2]" 1
1533 1 80 THR MG 1 81 CYS H . . 3.640 2.819 2.514 3.170 . 0 0 "[ . 1 . 2]" 1
1534 1 80 THR MG 1 81 CYS HB3 . . 5.500 4.670 4.459 4.897 . 0 0 "[ . 1 . 2]" 1
1535 1 80 THR MG 1 82 LEU H . . 4.460 3.792 3.469 4.151 . 0 0 "[ . 1 . 2]" 1
1536 1 80 THR MG 1 91 SER HA . . 4.480 4.085 3.545 4.476 . 0 0 "[ . 1 . 2]" 1
1537 1 80 THR MG 1 91 SER QB . . 3.320 2.871 2.364 3.311 . 0 0 "[ . 1 . 2]" 1
1538 1 80 THR MG 1 92 CYS H . . 3.650 3.084 2.604 3.650 0.000 4 0 "[ . 1 . 2]" 1
1539 1 80 THR MG 1 93 SER HA . . 4.010 3.233 2.670 3.635 . 0 0 "[ . 1 . 2]" 1
1540 1 81 CYS H 1 81 CYS HB2 . . 4.100 2.702 2.454 2.874 . 0 0 "[ . 1 . 2]" 1
1541 1 81 CYS H 1 81 CYS HB3 . . 3.960 2.597 2.336 2.772 . 0 0 "[ . 1 . 2]" 1
1542 1 81 CYS H 1 92 CYS H . . 3.690 3.484 3.248 3.690 0.000 16 0 "[ . 1 . 2]" 1
1543 1 81 CYS H 1 93 SER HA . . 4.390 3.509 3.164 3.990 . 0 0 "[ . 1 . 2]" 1
1544 1 81 CYS HA 1 81 CYS HG . . 3.970 2.716 2.516 3.029 . 0 0 "[ . 1 . 2]" 1
1545 1 81 CYS HA 1 82 LEU H . . 3.020 2.167 2.140 2.203 . 0 0 "[ . 1 . 2]" 1
1546 1 81 CYS HB2 1 92 CYS H . . 5.500 5.279 5.034 5.502 0.002 13 0 "[ . 1 . 2]" 1
1547 1 81 CYS HB3 1 82 LEU H . . 4.760 4.346 4.235 4.453 . 0 0 "[ . 1 . 2]" 1
1548 1 81 CYS HB3 1 92 CYS H . . 4.670 3.931 3.613 4.324 . 0 0 "[ . 1 . 2]" 1
1549 1 81 CYS HG 1 82 LEU H . . 4.210 3.709 3.311 4.066 . 0 0 "[ . 1 . 2]" 1
1550 1 82 LEU H 1 82 LEU HB2 . . 3.640 2.996 2.832 3.220 . 0 0 "[ . 1 . 2]" 1
1551 1 82 LEU H 1 82 LEU QB . . 3.160 2.213 2.151 2.276 . 0 0 "[ . 1 . 2]" 1
1552 1 82 LEU H 1 82 LEU HB3 . . 3.640 2.281 2.204 2.348 . 0 0 "[ . 1 . 2]" 1
1553 1 82 LEU H 1 82 LEU MD1 . . 5.210 4.236 4.170 4.305 . 0 0 "[ . 1 . 2]" 1
1554 1 82 LEU H 1 82 LEU QD . . 4.160 3.781 3.745 3.829 . 0 0 "[ . 1 . 2]" 1
1555 1 82 LEU H 1 82 LEU MD2 . . 5.210 4.254 4.208 4.333 . 0 0 "[ . 1 . 2]" 1
1556 1 82 LEU H 1 82 LEU HG . . 4.400 4.196 4.057 4.327 . 0 0 "[ . 1 . 2]" 1
1557 1 82 LEU HA 1 82 LEU QD . . 3.630 2.109 1.977 2.390 . 0 0 "[ . 1 . 2]" 1
1558 1 82 LEU HA 1 83 ALA H . . 2.990 2.161 2.140 2.211 . 0 0 "[ . 1 . 2]" 1
1559 1 82 LEU HA 1 90 VAL MG2 . . 4.780 4.557 4.358 4.746 . 0 0 "[ . 1 . 2]" 1
1560 1 82 LEU HA 1 91 SER HA . . 3.980 2.379 2.207 2.577 . 0 0 "[ . 1 . 2]" 1
1561 1 82 LEU HA 1 91 SER QB . . 4.090 2.838 2.451 3.146 . 0 0 "[ . 1 . 2]" 1
1562 1 82 LEU QB 1 82 LEU QD . . 2.700 1.934 1.911 1.959 . 0 0 "[ . 1 . 2]" 1
1563 1 82 LEU QB 1 83 ALA H . . 4.000 3.710 3.582 3.899 . 0 0 "[ . 1 . 2]" 1
1564 1 82 LEU HB2 1 83 ALA H . . 4.620 4.046 3.926 4.294 . 0 0 "[ . 1 . 2]" 1
1565 1 82 LEU HB3 1 83 ALA H . . 4.620 4.317 4.121 4.473 . 0 0 "[ . 1 . 2]" 1
1566 1 82 LEU QD 1 83 ALA H . . 3.320 2.128 1.877 2.498 . 0 0 "[ . 1 . 2]" 1
1567 1 82 LEU QD 1 84 GLU QB . . 4.020 2.373 2.116 2.560 . 0 0 "[ . 1 . 2]" 1
1568 1 82 LEU QD 1 84 GLU QG . . 3.310 2.909 2.412 3.157 . 0 0 "[ . 1 . 2]" 1
1569 1 82 LEU QD 1 89 GLN HA . . 4.330 4.130 3.899 4.315 . 0 0 "[ . 1 . 2]" 1
1570 1 82 LEU QD 1 89 GLN QB . . 3.460 3.252 2.937 3.373 . 0 0 "[ . 1 . 2]" 1
1571 1 82 LEU QD 1 89 GLN QE . . 3.560 3.167 2.525 3.563 0.003 6 0 "[ . 1 . 2]" 1
1572 1 82 LEU QD 1 89 GLN QG . . 4.690 4.542 4.253 4.684 . 0 0 "[ . 1 . 2]" 1
1573 1 82 LEU QD 1 90 VAL H . . 3.770 3.298 3.163 3.473 . 0 0 "[ . 1 . 2]" 1
1574 1 82 LEU QD 1 91 SER H . . 4.510 4.243 3.948 4.495 . 0 0 "[ . 1 . 2]" 1
1575 1 82 LEU QD 1 91 SER HA . . 4.030 3.005 2.579 3.407 . 0 0 "[ . 1 . 2]" 1
1576 1 82 LEU QD 1 91 SER QB . . 3.340 2.215 1.951 2.528 . 0 0 "[ . 1 . 2]" 1
1577 1 82 LEU MD1 1 89 GLN HE21 . . 5.050 3.459 2.843 4.218 . 0 0 "[ . 1 . 2]" 1
1578 1 82 LEU MD1 1 89 GLN HE22 . . 5.050 4.267 2.909 4.823 . 0 0 "[ . 1 . 2]" 1
1579 1 82 LEU MD1 1 91 SER HA . . 5.500 3.023 2.586 3.440 . 0 0 "[ . 1 . 2]" 1
1580 1 82 LEU MD1 1 91 SER QB . . 4.450 2.230 1.958 2.553 . 0 0 "[ . 1 . 2]" 1
1581 1 82 LEU MD2 1 89 GLN HE21 . . 5.050 4.531 4.189 5.047 . 0 0 "[ . 1 . 2]" 1
1582 1 82 LEU MD2 1 89 GLN HE22 . . 5.050 4.904 4.390 5.048 . 0 0 "[ . 1 . 2]" 1
1583 1 82 LEU MD2 1 91 SER HA . . 5.500 5.328 5.118 5.498 . 0 0 "[ . 1 . 2]" 1
1584 1 82 LEU MD2 1 91 SER QB . . 4.450 3.885 3.673 4.134 . 0 0 "[ . 1 . 2]" 1
1585 1 82 LEU HG 1 83 ALA H . . 4.340 3.456 2.994 3.887 . 0 0 "[ . 1 . 2]" 1
1586 1 82 LEU HG 1 84 GLU QB . . 4.650 3.859 3.508 4.202 . 0 0 "[ . 1 . 2]" 1
1587 1 82 LEU HG 1 84 GLU QG . . 3.860 3.270 2.793 3.527 . 0 0 "[ . 1 . 2]" 1
1588 1 83 ALA H 1 83 ALA MB . . 3.390 2.498 2.319 2.600 . 0 0 "[ . 1 . 2]" 1
1589 1 83 ALA H 1 84 GLU H . . 4.280 3.987 3.916 4.119 . 0 0 "[ . 1 . 2]" 1
1590 1 83 ALA H 1 84 GLU QG . . 5.340 5.022 4.738 5.331 . 0 0 "[ . 1 . 2]" 1
1591 1 83 ALA H 1 90 VAL H . . 3.830 3.603 3.455 3.761 . 0 0 "[ . 1 . 2]" 1
1592 1 83 ALA H 1 90 VAL HB . . 5.500 5.252 5.123 5.366 . 0 0 "[ . 1 . 2]" 1
1593 1 83 ALA H 1 90 VAL MG1 . . 5.500 5.379 5.281 5.508 0.008 19 0 "[ . 1 . 2]" 1
1594 1 83 ALA H 1 90 VAL MG2 . . 4.410 3.113 2.869 3.439 . 0 0 "[ . 1 . 2]" 1
1595 1 83 ALA H 1 91 SER HA . . 4.050 2.974 2.776 3.219 . 0 0 "[ . 1 . 2]" 1
1596 1 83 ALA H 1 91 SER QB . . 4.500 3.793 3.406 4.047 . 0 0 "[ . 1 . 2]" 1
1597 1 83 ALA H 1 92 CYS H . . 4.920 4.720 4.514 4.888 . 0 0 "[ . 1 . 2]" 1
1598 1 83 ALA HA 1 84 GLU H . . 2.830 2.172 2.147 2.187 . 0 0 "[ . 1 . 2]" 1
1599 1 83 ALA HA 1 84 GLU QB . . 4.690 4.460 4.370 4.540 . 0 0 "[ . 1 . 2]" 1
1600 1 83 ALA HA 1 84 GLU QG . . 4.920 4.091 3.947 4.219 . 0 0 "[ . 1 . 2]" 1
1601 1 83 ALA HA 1 90 VAL MG2 . . 5.500 4.491 4.302 4.643 . 0 0 "[ . 1 . 2]" 1
1602 1 83 ALA MB 1 84 GLU H . . 3.520 3.445 3.334 3.490 . 0 0 "[ . 1 . 2]" 1
1603 1 83 ALA MB 1 90 VAL H . . 4.090 3.905 3.625 4.061 . 0 0 "[ . 1 . 2]" 1
1604 1 83 ALA MB 1 91 SER HA . . 4.550 4.271 3.934 4.549 . 0 0 "[ . 1 . 2]" 1
1605 1 84 GLU H 1 84 GLU QB . . 3.380 2.977 2.890 3.058 . 0 0 "[ . 1 . 2]" 1
1606 1 84 GLU H 1 84 GLU HG2 . . 4.650 2.415 2.223 2.618 . 0 0 "[ . 1 . 2]" 1
1607 1 84 GLU H 1 84 GLU QG . . 4.030 2.348 2.198 2.494 . 0 0 "[ . 1 . 2]" 1
1608 1 84 GLU H 1 84 GLU HG3 . . 4.650 3.262 2.903 3.473 . 0 0 "[ . 1 . 2]" 1
1609 1 84 GLU H 1 85 ASN H . . 4.740 4.420 4.345 4.456 . 0 0 "[ . 1 . 2]" 1
1610 1 84 GLU HA 1 84 GLU HG2 . . 4.110 3.791 3.689 3.905 . 0 0 "[ . 1 . 2]" 1
1611 1 84 GLU HA 1 84 GLU HG3 . . 4.110 3.701 3.609 3.808 . 0 0 "[ . 1 . 2]" 1
1612 1 84 GLU HA 1 85 ASN H . . 2.820 2.262 2.203 2.353 . 0 0 "[ . 1 . 2]" 1
1613 1 84 GLU HA 1 88 GLY H . . 5.200 5.092 4.957 5.198 . 0 0 "[ . 1 . 2]" 1
1614 1 84 GLU HA 1 89 GLN HA . . 3.430 2.005 1.994 2.027 . 0 0 "[ . 1 . 2]" 1
1615 1 84 GLU HA 1 89 GLN HB2 . . 4.520 3.634 3.396 3.907 . 0 0 "[ . 1 . 2]" 1
1616 1 84 GLU HA 1 89 GLN HB3 . . 4.520 3.656 3.308 4.037 . 0 0 "[ . 1 . 2]" 1
1617 1 84 GLU HA 1 89 GLN QG . . 5.170 4.961 4.810 5.138 . 0 0 "[ . 1 . 2]" 1
1618 1 84 GLU HA 1 90 VAL H . . 3.780 2.967 2.773 3.182 . 0 0 "[ . 1 . 2]" 1
1619 1 84 GLU HA 1 90 VAL MG2 . . 5.500 4.035 3.843 4.268 . 0 0 "[ . 1 . 2]" 1
1620 1 84 GLU QB 1 85 ASN H . . 3.500 2.781 2.542 2.974 . 0 0 "[ . 1 . 2]" 1
1621 1 84 GLU QB 1 89 GLN HA . . 4.210 2.461 2.182 2.771 . 0 0 "[ . 1 . 2]" 1
1622 1 84 GLU QB 1 89 GLN QE . . 4.530 3.305 2.857 3.677 . 0 0 "[ . 1 . 2]" 1
1623 1 84 GLU QB 1 90 VAL H . . 4.540 3.173 2.813 3.528 . 0 0 "[ . 1 . 2]" 1
1624 1 84 GLU QG 1 85 ASN H . . 3.810 3.685 3.513 3.807 . 0 0 "[ . 1 . 2]" 1
1625 1 85 ASN H 1 87 LEU H . . 4.430 3.868 3.595 4.119 . 0 0 "[ . 1 . 2]" 1
1626 1 85 ASN H 1 88 GLY H . . 3.570 3.524 3.407 3.575 0.005 6 0 "[ . 1 . 2]" 1
1627 1 85 ASN H 1 89 GLN HA . . 3.740 3.186 3.083 3.305 . 0 0 "[ . 1 . 2]" 1
1628 1 85 ASN HB2 1 86 ALA H . . 3.910 2.049 1.961 2.092 . 0 0 "[ . 1 . 2]" 1
1629 1 85 ASN HB2 1 86 ALA MB . . 4.610 3.707 3.606 3.771 . 0 0 "[ . 1 . 2]" 1
1630 1 85 ASN HB2 1 87 LEU H . . 4.540 3.141 3.099 3.185 . 0 0 "[ . 1 . 2]" 1
1631 1 85 ASN HB3 1 86 ALA H . . 4.100 3.582 3.515 3.613 . 0 0 "[ . 1 . 2]" 1
1632 1 85 ASN HD21 1 87 LEU QD . . 4.640 3.745 2.932 4.344 . 0 0 "[ . 1 . 2]" 1
1633 1 85 ASN HD22 1 87 LEU H . . 4.970 3.392 3.292 3.586 . 0 0 "[ . 1 . 2]" 1
1634 1 85 ASN HD22 1 87 LEU QD . . 4.090 3.211 2.514 3.633 . 0 0 "[ . 1 . 2]" 1
1635 1 86 ALA H 1 86 ALA MB . . 3.450 2.146 2.029 2.241 . 0 0 "[ . 1 . 2]" 1
1636 1 86 ALA H 1 87 LEU H . . 4.280 2.650 2.608 2.685 . 0 0 "[ . 1 . 2]" 1
1637 1 86 ALA H 1 87 LEU HB2 . . 5.500 4.525 4.428 4.687 . 0 0 "[ . 1 . 2]" 1
1638 1 86 ALA H 1 87 LEU QD . . 4.350 3.662 3.401 3.877 . 0 0 "[ . 1 . 2]" 1
1639 1 86 ALA H 1 88 GLY H . . 5.350 5.123 5.069 5.164 . 0 0 "[ . 1 . 2]" 1
1640 1 86 ALA MB 1 87 LEU H . . 3.520 3.129 2.980 3.329 . 0 0 "[ . 1 . 2]" 1
1641 1 86 ALA MB 1 87 LEU HA . . 4.550 3.971 3.840 4.107 . 0 0 "[ . 1 . 2]" 1
1642 1 86 ALA MB 1 87 LEU QD . . 3.150 2.617 2.441 2.783 . 0 0 "[ . 1 . 2]" 1
1643 1 87 LEU H 1 87 LEU HB2 . . 3.240 2.244 2.175 2.354 . 0 0 "[ . 1 . 2]" 1
1644 1 87 LEU H 1 87 LEU HB3 . . 3.550 3.511 3.475 3.567 0.017 2 0 "[ . 1 . 2]" 1
1645 1 87 LEU H 1 87 LEU QD . . 3.270 2.555 2.303 2.841 . 0 0 "[ . 1 . 2]" 1
1646 1 87 LEU H 1 87 LEU HG . . 4.150 4.005 3.777 4.117 . 0 0 "[ . 1 . 2]" 1
1647 1 87 LEU H 1 88 GLY H . . 2.920 2.785 2.673 2.872 . 0 0 "[ . 1 . 2]" 1
1648 1 87 LEU HA 1 87 LEU MD1 . . 3.670 2.616 2.157 3.091 . 0 0 "[ . 1 . 2]" 1
1649 1 87 LEU HA 1 87 LEU QD . . 3.170 2.326 1.917 2.923 . 0 0 "[ . 1 . 2]" 1
1650 1 87 LEU HA 1 87 LEU MD2 . . 3.670 2.710 2.005 3.677 0.007 2 0 "[ . 1 . 2]" 1
1651 1 87 LEU HA 1 87 LEU HG . . 3.710 3.129 2.244 3.709 . 0 0 "[ . 1 . 2]" 1
1652 1 87 LEU HB2 1 88 GLY H . . 3.870 2.255 2.086 2.301 . 0 0 "[ . 1 . 2]" 1
1653 1 87 LEU HB3 1 87 LEU HG . . 2.990 2.593 2.520 2.658 . 0 0 "[ . 1 . 2]" 1
1654 1 87 LEU HB3 1 88 GLY H . . 4.030 2.474 2.403 2.658 . 0 0 "[ . 1 . 2]" 1
1655 1 87 LEU QD 1 88 GLY H . . 4.200 3.655 3.494 3.735 . 0 0 "[ . 1 . 2]" 1
1656 1 87 LEU MD1 1 88 GLY H . . 4.870 4.120 3.818 4.263 . 0 0 "[ . 1 . 2]" 1
1657 1 87 LEU MD2 1 88 GLY H . . 4.870 4.088 3.960 4.180 . 0 0 "[ . 1 . 2]" 1
1658 1 88 GLY H 1 89 GLN H . . 4.560 4.307 4.245 4.391 . 0 0 "[ . 1 . 2]" 1
1659 1 88 GLY HA2 1 89 GLN H . . 2.960 2.770 2.656 2.842 . 0 0 "[ . 1 . 2]" 1
1660 1 88 GLY HA2 1 89 GLN QG . . 4.790 3.787 3.526 4.319 . 0 0 "[ . 1 . 2]" 1
1661 1 88 GLY HA3 1 89 GLN H . . 2.990 2.376 2.319 2.474 . 0 0 "[ . 1 . 2]" 1
1662 1 89 GLN H 1 89 GLN HB2 . . 4.150 3.977 3.926 4.018 . 0 0 "[ . 1 . 2]" 1
1663 1 89 GLN H 1 89 GLN QB . . 3.640 3.199 3.069 3.269 . 0 0 "[ . 1 . 2]" 1
1664 1 89 GLN H 1 89 GLN HB3 . . 4.150 3.375 3.185 3.473 . 0 0 "[ . 1 . 2]" 1
1665 1 89 GLN H 1 89 GLN QG . . 3.540 2.629 2.498 2.790 . 0 0 "[ . 1 . 2]" 1
1666 1 89 GLN H 1 90 VAL H . . 4.370 4.152 4.074 4.215 . 0 0 "[ . 1 . 2]" 1
1667 1 89 GLN H 1 90 VAL MG1 . . 4.500 3.260 3.124 3.476 . 0 0 "[ . 1 . 2]" 1
1668 1 89 GLN HA 1 89 GLN QG . . 3.860 3.354 3.316 3.481 . 0 0 "[ . 1 . 2]" 1
1669 1 89 GLN HA 1 90 VAL H . . 2.860 2.164 2.147 2.189 . 0 0 "[ . 1 . 2]" 1
1670 1 89 GLN HA 1 90 VAL MG1 . . 4.210 3.588 3.448 3.776 . 0 0 "[ . 1 . 2]" 1
1671 1 89 GLN HA 1 90 VAL MG2 . . 4.390 3.821 3.569 3.999 . 0 0 "[ . 1 . 2]" 1
1672 1 89 GLN QB 1 90 VAL H . . 3.510 3.122 2.988 3.277 . 0 0 "[ . 1 . 2]" 1
1673 1 89 GLN QG 1 90 VAL H . . 4.310 4.084 3.779 4.303 . 0 0 "[ . 1 . 2]" 1
1674 1 90 VAL H 1 90 VAL MG1 . . 3.390 2.949 2.788 3.113 . 0 0 "[ . 1 . 2]" 1
1675 1 90 VAL H 1 90 VAL MG2 . . 3.230 2.306 2.032 2.501 . 0 0 "[ . 1 . 2]" 1
1676 1 90 VAL H 1 91 SER H . . 4.700 4.409 4.368 4.454 . 0 0 "[ . 1 . 2]" 1
1677 1 90 VAL HA 1 90 VAL MG1 . . 3.170 2.372 2.245 2.454 . 0 0 "[ . 1 . 2]" 1
1678 1 90 VAL HA 1 91 SER H . . 2.930 2.324 2.253 2.388 . 0 0 "[ . 1 . 2]" 1
1679 1 90 VAL HB 1 91 SER H . . 3.420 2.597 2.412 2.809 . 0 0 "[ . 1 . 2]" 1
1680 1 90 VAL MG1 1 91 SER H . . 3.940 3.801 3.612 3.945 0.005 11 0 "[ . 1 . 2]" 1
1681 1 90 VAL MG2 1 91 SER H . . 3.710 3.485 3.317 3.697 . 0 0 "[ . 1 . 2]" 1
1682 1 90 VAL MG2 1 91 SER HA . . 4.670 3.608 3.388 3.816 . 0 0 "[ . 1 . 2]" 1
1683 1 91 SER H 1 91 SER QB . . 3.720 3.064 2.676 3.275 . 0 0 "[ . 1 . 2]" 1
1684 1 91 SER HA 1 92 CYS H . . 3.070 2.231 2.152 2.342 . 0 0 "[ . 1 . 2]" 1
1685 1 91 SER QB 1 92 CYS H . . 3.910 2.952 2.596 3.637 . 0 0 "[ . 1 . 2]" 1
1686 1 92 CYS H 1 92 CYS HG . . 4.350 3.879 2.501 4.362 0.012 7 0 "[ . 1 . 2]" 1
1687 1 93 SER HA 1 94 ALA H . . 3.300 2.372 2.273 2.487 . 0 0 "[ . 1 . 2]" 1
1688 1 93 SER HA 1 94 ALA MB . . 4.550 3.781 3.700 3.850 . 0 0 "[ . 1 . 2]" 1
1689 1 93 SER QB 1 94 ALA H . . 4.530 2.575 2.231 3.450 . 0 0 "[ . 1 . 2]" 1
1690 1 94 ALA H 1 94 ALA MB . . 3.660 2.666 2.558 2.756 . 0 0 "[ . 1 . 2]" 1
1691 1 94 ALA HA 1 95 TRP H . . 3.370 2.320 2.163 2.466 . 0 0 "[ . 1 . 2]" 1
1692 1 94 ALA MB 1 95 TRP H . . 3.640 2.658 2.286 3.076 . 0 0 "[ . 1 . 2]" 1
1693 1 95 TRP H 1 95 TRP HB2 . . 3.960 2.970 2.779 3.127 . 0 0 "[ . 1 . 2]" 1
1694 1 95 TRP H 1 95 TRP QB . . 3.380 2.424 2.204 2.617 . 0 0 "[ . 1 . 2]" 1
1695 1 95 TRP H 1 95 TRP HB3 . . 3.960 2.578 2.268 2.808 . 0 0 "[ . 1 . 2]" 1
1696 1 95 TRP HA 1 95 TRP HD1 . . 5.000 4.134 3.659 4.571 . 0 0 "[ . 1 . 2]" 1
1697 1 95 TRP HE1 1 97 THR HA . . 4.750 4.348 3.921 4.748 . 0 0 "[ . 1 . 2]" 1
1698 1 95 TRP HE1 1 97 THR MG . . 3.940 3.273 2.011 3.797 . 0 0 "[ . 1 . 2]" 1
1699 1 96 VAL H 1 96 VAL HB . . 4.210 2.591 2.449 2.732 . 0 0 "[ . 1 . 2]" 1
1700 1 96 VAL H 1 96 VAL MG1 . . 4.610 3.821 3.756 3.890 . 0 0 "[ . 1 . 2]" 1
1701 1 96 VAL H 1 96 VAL QG . . 3.880 2.671 2.468 2.969 . 0 0 "[ . 1 . 2]" 1
1702 1 96 VAL H 1 96 VAL MG2 . . 4.610 2.732 2.498 3.105 . 0 0 "[ . 1 . 2]" 1
1703 1 96 VAL H 1 97 THR H . . 5.400 4.433 4.245 4.555 . 0 0 "[ . 1 . 2]" 1
1704 1 96 VAL HA 1 96 VAL MG1 . . 3.650 2.413 2.300 2.476 . 0 0 "[ . 1 . 2]" 1
1705 1 96 VAL HA 1 96 VAL MG2 . . 3.650 2.346 2.194 2.465 . 0 0 "[ . 1 . 2]" 1
1706 1 96 VAL HA 1 97 THR H . . 3.050 2.188 2.139 2.270 . 0 0 "[ . 1 . 2]" 1
1707 1 96 VAL QG 1 97 THR H . . 3.480 2.350 2.061 2.747 . 0 0 "[ . 1 . 2]" 1
1708 1 96 VAL QG 1 97 THR HA . . 4.830 3.510 3.329 3.706 . 0 0 "[ . 1 . 2]" 1
1709 1 96 VAL QG 1 97 THR HB . . 4.950 4.505 4.216 4.901 . 0 0 "[ . 1 . 2]" 1
1710 1 96 VAL MG1 1 97 THR H . . 4.320 2.370 2.070 2.794 . 0 0 "[ . 1 . 2]" 1
1711 1 96 VAL MG2 1 97 THR H . . 4.320 3.926 3.735 4.067 . 0 0 "[ . 1 . 2]" 1
1712 1 97 THR H 1 97 THR HB . . 3.730 2.912 2.631 3.636 . 0 0 "[ . 1 . 2]" 1
1713 1 97 THR H 1 97 THR MG . . 4.210 3.776 3.222 3.933 . 0 0 "[ . 1 . 2]" 1
1714 1 97 THR H 1 98 VAL MG2 . . 4.620 4.278 4.056 4.570 . 0 0 "[ . 1 . 2]" 1
1715 1 97 THR HA 1 97 THR MG . . 3.750 2.280 2.035 2.415 . 0 0 "[ . 1 . 2]" 1
1716 1 97 THR HA 1 98 VAL MG2 . . 4.430 3.462 3.336 3.724 . 0 0 "[ . 1 . 2]" 1
1717 1 97 THR HB 1 98 VAL H . . 4.410 3.807 3.019 4.208 . 0 0 "[ . 1 . 2]" 1
1718 1 97 THR MG 1 98 VAL H . . 4.120 2.493 1.966 3.468 . 0 0 "[ . 1 . 2]" 1
1719 1 98 VAL H 1 98 VAL HB . . 4.170 2.661 2.563 2.738 . 0 0 "[ . 1 . 2]" 1
1720 1 98 VAL H 1 98 VAL MG2 . . 3.920 2.599 2.431 2.778 . 0 0 "[ . 1 . 2]" 1
1721 1 98 VAL HA 1 98 VAL MG1 . . 3.260 2.316 2.221 2.461 . 0 0 "[ . 1 . 2]" 1
1722 1 98 VAL HA 1 98 VAL MG2 . . 3.690 2.421 2.300 2.493 . 0 0 "[ . 1 . 2]" 1
1723 1 98 VAL HA 1 99 HIS H . . 2.820 2.154 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
1724 1 98 VAL HB 1 99 HIS H . . 4.490 4.303 4.095 4.404 . 0 0 "[ . 1 . 2]" 1
1725 1 98 VAL MG1 1 99 HIS H . . 3.410 2.846 2.191 3.196 . 0 0 "[ . 1 . 2]" 1
1726 1 98 VAL MG1 1 99 HIS HA . . 4.430 4.318 3.734 4.429 . 0 0 "[ . 1 . 2]" 1
1727 1 98 VAL MG1 1 99 HIS QB . . 4.530 3.955 3.706 4.184 . 0 0 "[ . 1 . 2]" 1
1728 1 98 VAL MG2 1 99 HIS H . . 4.360 4.184 3.960 4.252 . 0 0 "[ . 1 . 2]" 1
1729 1 99 HIS H 1 99 HIS HB2 . . 3.940 2.567 2.463 2.731 . 0 0 "[ . 1 . 2]" 1
1730 1 99 HIS H 1 99 HIS QB . . 3.390 2.514 2.423 2.666 . 0 0 "[ . 1 . 2]" 1
1731 1 99 HIS H 1 99 HIS HB3 . . 3.940 3.599 3.575 3.724 . 0 0 "[ . 1 . 2]" 1
1732 1 99 HIS H 1 99 HIS HD2 . . 4.080 3.088 2.782 3.471 . 0 0 "[ . 1 . 2]" 1
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