NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419608 |
2ed1   |
11153 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ed1
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 1437
_Distance_constraint_stats_list.Viol_count 463
_Distance_constraint_stats_list.Viol_total 67.811
_Distance_constraint_stats_list.Viol_max 0.137
_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 0.0073
_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 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.910 0.081 17 0 "[ . 1 . 2]"
1 11 ARG 1.444 0.091 16 0 "[ . 1 . 2]"
1 12 ARG 0.231 0.019 18 0 "[ . 1 . 2]"
1 13 VAL 0.182 0.038 14 0 "[ . 1 . 2]"
1 14 LYS 0.065 0.030 20 0 "[ . 1 . 2]"
1 15 THR 0.016 0.005 13 0 "[ . 1 . 2]"
1 16 ILE 0.168 0.137 19 0 "[ . 1 . 2]"
1 17 TYR 0.004 0.002 20 0 "[ . 1 . 2]"
1 18 ASP 0.009 0.004 11 0 "[ . 1 . 2]"
1 19 CYS 0.005 0.003 19 0 "[ . 1 . 2]"
1 20 GLN 0.072 0.022 19 0 "[ . 1 . 2]"
1 21 ALA 0.071 0.022 19 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASN 0.002 0.002 13 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.009 0.003 12 0 "[ . 1 . 2]"
1 27 LEU 0.090 0.036 13 0 "[ . 1 . 2]"
1 28 THR 0.016 0.012 13 0 "[ . 1 . 2]"
1 29 PHE 0.031 0.012 13 0 "[ . 1 . 2]"
1 30 ILE 0.006 0.004 11 0 "[ . 1 . 2]"
1 31 GLU 0.001 0.001 9 0 "[ . 1 . 2]"
1 32 GLY 0.020 0.007 6 0 "[ . 1 . 2]"
1 33 GLU 0.009 0.004 9 0 "[ . 1 . 2]"
1 34 VAL 0.005 0.003 12 0 "[ . 1 . 2]"
1 35 ILE 0.001 0.001 3 0 "[ . 1 . 2]"
1 36 ILE 0.030 0.009 12 0 "[ . 1 . 2]"
1 37 VAL 0.261 0.018 14 0 "[ . 1 . 2]"
1 38 THR 0.005 0.004 15 0 "[ . 1 . 2]"
1 39 GLY 0.100 0.019 12 0 "[ . 1 . 2]"
1 40 GLU 0.197 0.031 10 0 "[ . 1 . 2]"
1 41 GLU 0.024 0.004 3 0 "[ . 1 . 2]"
1 42 ASP 0.002 0.002 17 0 "[ . 1 . 2]"
1 43 GLN 0.122 0.027 19 0 "[ . 1 . 2]"
1 44 GLU 0.173 0.025 6 0 "[ . 1 . 2]"
1 45 TRP 0.028 0.010 9 0 "[ . 1 . 2]"
1 46 TRP 0.140 0.031 10 0 "[ . 1 . 2]"
1 47 ILE 0.061 0.011 15 0 "[ . 1 . 2]"
1 48 GLY 0.036 0.011 15 0 "[ . 1 . 2]"
1 49 HIS 0.049 0.006 2 0 "[ . 1 . 2]"
1 50 ILE 0.178 0.024 15 0 "[ . 1 . 2]"
1 51 GLU 0.002 0.001 6 0 "[ . 1 . 2]"
1 53 GLN 0.046 0.015 11 0 "[ . 1 . 2]"
1 54 PRO 0.087 0.030 10 0 "[ . 1 . 2]"
1 55 GLU 0.198 0.072 15 0 "[ . 1 . 2]"
1 56 ARG 0.117 0.024 15 0 "[ . 1 . 2]"
1 57 LYS 0.097 0.009 10 0 "[ . 1 . 2]"
1 58 GLY 0.010 0.004 11 0 "[ . 1 . 2]"
1 59 VAL 0.037 0.010 9 0 "[ . 1 . 2]"
1 60 PHE 0.010 0.006 11 0 "[ . 1 . 2]"
1 61 PRO 0.006 0.003 6 0 "[ . 1 . 2]"
1 62 VAL 0.022 0.006 11 0 "[ . 1 . 2]"
1 63 SER 0.026 0.016 6 0 "[ . 1 . 2]"
1 64 PHE 0.004 0.002 14 0 "[ . 1 . 2]"
1 65 VAL 0.026 0.009 14 0 "[ . 1 . 2]"
1 66 HIS 0.147 0.030 20 0 "[ . 1 . 2]"
1 67 ILE 0.138 0.038 14 0 "[ . 1 . 2]"
1 68 LEU 0.080 0.031 14 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LYS H 1 9 LYS QG . . 5.140 3.288 2.482 4.171 . 0 0 "[ . 1 . 2]" 1
2 1 9 LYS HA 1 9 LYS QD . . 4.510 2.729 1.982 4.332 . 0 0 "[ . 1 . 2]" 1
3 1 9 LYS HA 1 9 LYS QG . . 3.650 2.638 2.184 3.411 . 0 0 "[ . 1 . 2]" 1
4 1 9 LYS HA 1 10 VAL H . . 2.790 2.224 2.140 2.478 . 0 0 "[ . 1 . 2]" 1
5 1 9 LYS HA 1 10 VAL MG1 . . 4.120 3.559 3.279 4.023 . 0 0 "[ . 1 . 2]" 1
6 1 9 LYS HA 1 10 VAL MG2 . . 4.320 3.998 3.750 4.259 . 0 0 "[ . 1 . 2]" 1
7 1 9 LYS QD 1 10 VAL H . . 4.790 3.640 2.085 4.788 . 0 0 "[ . 1 . 2]" 1
8 1 9 LYS QG 1 10 VAL H . . 4.720 3.717 1.943 4.571 . 0 0 "[ . 1 . 2]" 1
9 1 10 VAL H 1 10 VAL HB . . 3.760 3.715 3.643 3.765 0.005 8 0 "[ . 1 . 2]" 1
10 1 10 VAL H 1 10 VAL MG1 . . 3.300 2.466 2.220 2.679 . 0 0 "[ . 1 . 2]" 1
11 1 10 VAL H 1 10 VAL MG2 . . 3.220 2.149 1.926 2.289 . 0 0 "[ . 1 . 2]" 1
12 1 10 VAL H 1 11 ARG H . . 4.590 4.544 4.505 4.588 . 0 0 "[ . 1 . 2]" 1
13 1 10 VAL HA 1 10 VAL MG1 . . 3.010 2.412 2.250 2.489 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL HA 1 10 VAL MG2 . . 3.230 3.189 3.178 3.203 . 0 0 "[ . 1 . 2]" 1
15 1 10 VAL HA 1 11 ARG H . . 2.690 2.372 2.264 2.546 . 0 0 "[ . 1 . 2]" 1
16 1 10 VAL HA 1 11 ARG HB2 . . 5.500 4.201 4.065 4.850 . 0 0 "[ . 1 . 2]" 1
17 1 10 VAL HA 1 11 ARG HB3 . . 5.500 5.412 4.638 5.581 0.081 17 0 "[ . 1 . 2]" 1
18 1 10 VAL HA 1 36 ILE MG . . 5.350 4.874 4.223 5.345 . 0 0 "[ . 1 . 2]" 1
19 1 10 VAL HB 1 11 ARG H . . 3.590 2.518 2.093 2.804 . 0 0 "[ . 1 . 2]" 1
20 1 10 VAL HB 1 36 ILE MG . . 3.950 3.474 2.608 3.951 0.001 14 0 "[ . 1 . 2]" 1
21 1 10 VAL MG1 1 11 ARG H . . 4.000 3.846 3.582 4.013 0.013 17 0 "[ . 1 . 2]" 1
22 1 10 VAL MG1 1 11 ARG HA . . 5.500 5.475 5.404 5.526 0.026 17 0 "[ . 1 . 2]" 1
23 1 10 VAL MG2 1 11 ARG H . . 3.440 3.265 2.810 3.412 . 0 0 "[ . 1 . 2]" 1
24 1 10 VAL MG2 1 11 ARG HA . . 4.420 3.577 3.207 3.972 . 0 0 "[ . 1 . 2]" 1
25 1 10 VAL MG2 1 12 ARG H . . 4.230 4.045 3.724 4.237 0.007 3 0 "[ . 1 . 2]" 1
26 1 10 VAL MG2 1 12 ARG QD . . 5.340 4.850 4.292 5.345 0.005 4 0 "[ . 1 . 2]" 1
27 1 11 ARG H 1 11 ARG QB . . 3.100 2.512 2.280 2.972 . 0 0 "[ . 1 . 2]" 1
28 1 11 ARG H 1 11 ARG HD2 . . 5.500 5.235 4.355 5.511 0.011 13 0 "[ . 1 . 2]" 1
29 1 11 ARG H 1 11 ARG HD3 . . 5.500 5.336 5.133 5.591 0.091 16 0 "[ . 1 . 2]" 1
30 1 11 ARG H 1 11 ARG HG2 . . 4.830 4.024 3.312 4.687 . 0 0 "[ . 1 . 2]" 1
31 1 11 ARG H 1 11 ARG QG . . 4.200 3.627 2.827 4.090 . 0 0 "[ . 1 . 2]" 1
32 1 11 ARG H 1 11 ARG HG3 . . 4.830 4.234 3.066 4.730 . 0 0 "[ . 1 . 2]" 1
33 1 11 ARG H 1 36 ILE HA . . 5.500 5.054 4.568 5.375 . 0 0 "[ . 1 . 2]" 1
34 1 11 ARG H 1 36 ILE MG . . 4.490 4.033 3.768 4.482 . 0 0 "[ . 1 . 2]" 1
35 1 11 ARG H 1 37 VAL HA . . 5.500 5.286 4.835 5.518 0.018 14 0 "[ . 1 . 2]" 1
36 1 11 ARG H 1 37 VAL MG2 . . 4.910 4.298 3.547 4.696 . 0 0 "[ . 1 . 2]" 1
37 1 11 ARG HA 1 11 ARG HD2 . . 4.990 3.978 3.516 4.564 . 0 0 "[ . 1 . 2]" 1
38 1 11 ARG HA 1 11 ARG HD3 . . 4.990 3.419 2.545 4.979 . 0 0 "[ . 1 . 2]" 1
39 1 11 ARG HA 1 11 ARG HG2 . . 4.050 2.457 2.155 3.159 . 0 0 "[ . 1 . 2]" 1
40 1 11 ARG HA 1 11 ARG HG3 . . 4.050 3.269 2.252 3.663 . 0 0 "[ . 1 . 2]" 1
41 1 11 ARG HA 1 12 ARG H . . 2.730 2.160 2.140 2.196 . 0 0 "[ . 1 . 2]" 1
42 1 11 ARG HA 1 67 ILE MG . . 4.680 4.301 3.395 4.663 . 0 0 "[ . 1 . 2]" 1
43 1 11 ARG QB 1 11 ARG QD . . 3.240 2.100 2.008 2.132 . 0 0 "[ . 1 . 2]" 1
44 1 11 ARG QB 1 12 ARG H . . 4.060 3.465 2.984 3.811 . 0 0 "[ . 1 . 2]" 1
45 1 11 ARG QB 1 13 VAL MG1 . . 4.520 3.374 3.013 3.992 . 0 0 "[ . 1 . 2]" 1
46 1 11 ARG QB 1 37 VAL H . . 4.030 3.747 3.624 4.024 . 0 0 "[ . 1 . 2]" 1
47 1 11 ARG QB 1 37 VAL MG1 . . 3.800 2.562 2.120 3.025 . 0 0 "[ . 1 . 2]" 1
48 1 11 ARG HB2 1 12 ARG H . . 4.640 4.402 3.791 4.553 . 0 0 "[ . 1 . 2]" 1
49 1 11 ARG HB2 1 37 VAL MG1 . . 4.330 2.826 2.180 4.324 . 0 0 "[ . 1 . 2]" 1
50 1 11 ARG HB2 1 37 VAL MG2 . . 4.360 3.317 1.916 4.311 . 0 0 "[ . 1 . 2]" 1
51 1 11 ARG HB3 1 12 ARG H . . 4.640 3.650 3.122 4.381 . 0 0 "[ . 1 . 2]" 1
52 1 11 ARG HB3 1 37 VAL MG1 . . 4.330 3.221 2.892 4.330 . 0 0 "[ . 1 . 2]" 1
53 1 11 ARG HB3 1 37 VAL MG2 . . 4.360 2.555 2.295 3.256 . 0 0 "[ . 1 . 2]" 1
54 1 11 ARG QD 1 13 VAL MG1 . . 4.280 3.389 2.112 4.145 . 0 0 "[ . 1 . 2]" 1
55 1 11 ARG QD 1 37 VAL HB . . 4.220 3.956 2.537 4.195 . 0 0 "[ . 1 . 2]" 1
56 1 11 ARG QD 1 37 VAL MG1 . . 3.850 3.660 2.630 3.859 0.009 14 0 "[ . 1 . 2]" 1
57 1 11 ARG QD 1 37 VAL MG2 . . 4.030 3.370 2.061 3.651 . 0 0 "[ . 1 . 2]" 1
58 1 11 ARG QD 1 46 TRP HH2 . . 4.720 3.006 2.246 3.826 . 0 0 "[ . 1 . 2]" 1
59 1 11 ARG QD 1 67 ILE MD . . 4.390 2.824 2.100 4.353 . 0 0 "[ . 1 . 2]" 1
60 1 11 ARG QD 1 67 ILE MG . . 4.220 3.099 1.993 4.219 . 0 0 "[ . 1 . 2]" 1
61 1 11 ARG HD2 1 12 ARG H . . 5.500 5.069 4.529 5.511 0.011 18 0 "[ . 1 . 2]" 1
62 1 11 ARG HD2 1 37 VAL MG2 . . 4.640 3.658 2.211 4.639 . 0 0 "[ . 1 . 2]" 1
63 1 11 ARG HD2 1 46 TRP HH2 . . 5.500 3.358 2.267 4.403 . 0 0 "[ . 1 . 2]" 1
64 1 11 ARG HD2 1 46 TRP HZ3 . . 4.780 3.457 2.383 4.672 . 0 0 "[ . 1 . 2]" 1
65 1 11 ARG HD3 1 12 ARG H . . 5.500 4.322 3.667 5.503 0.003 2 0 "[ . 1 . 2]" 1
66 1 11 ARG HD3 1 37 VAL MG2 . . 4.640 4.225 2.461 4.651 0.011 6 0 "[ . 1 . 2]" 1
67 1 11 ARG HD3 1 46 TRP HH2 . . 5.500 3.857 2.634 5.033 . 0 0 "[ . 1 . 2]" 1
68 1 11 ARG HD3 1 46 TRP HZ3 . . 4.780 3.879 2.225 4.781 0.001 2 0 "[ . 1 . 2]" 1
69 1 11 ARG QG 1 12 ARG H . . 4.670 3.814 2.698 4.443 . 0 0 "[ . 1 . 2]" 1
70 1 11 ARG QG 1 37 VAL HB . . 3.970 3.737 2.505 3.979 0.009 17 0 "[ . 1 . 2]" 1
71 1 11 ARG QG 1 37 VAL MG1 . . 5.180 3.587 2.296 4.468 . 0 0 "[ . 1 . 2]" 1
72 1 11 ARG QG 1 37 VAL MG2 . . 4.280 3.917 2.775 4.280 . 0 0 "[ . 1 . 2]" 1
73 1 11 ARG QG 1 67 ILE MD . . 5.340 4.269 3.034 5.339 . 0 0 "[ . 1 . 2]" 1
74 1 11 ARG QG 1 67 ILE MG . . 5.340 4.023 2.092 5.082 . 0 0 "[ . 1 . 2]" 1
75 1 11 ARG HG2 1 12 ARG H . . 5.500 3.996 2.849 4.739 . 0 0 "[ . 1 . 2]" 1
76 1 11 ARG HG3 1 12 ARG H . . 5.500 4.925 3.079 5.509 0.009 15 0 "[ . 1 . 2]" 1
77 1 12 ARG H 1 12 ARG HB2 . . 3.880 2.473 2.261 2.645 . 0 0 "[ . 1 . 2]" 1
78 1 12 ARG H 1 12 ARG QB . . 3.090 2.358 2.235 2.450 . 0 0 "[ . 1 . 2]" 1
79 1 12 ARG H 1 12 ARG HB3 . . 3.880 3.166 2.765 3.646 . 0 0 "[ . 1 . 2]" 1
80 1 12 ARG H 1 12 ARG QD . . 4.790 4.609 4.352 4.803 0.013 15 0 "[ . 1 . 2]" 1
81 1 12 ARG H 1 12 ARG HG2 . . 4.630 4.395 3.893 4.649 0.019 4 0 "[ . 1 . 2]" 1
82 1 12 ARG H 1 12 ARG QG . . 4.050 3.688 3.128 4.069 0.019 18 0 "[ . 1 . 2]" 1
83 1 12 ARG H 1 12 ARG HG3 . . 4.630 3.990 3.296 4.501 . 0 0 "[ . 1 . 2]" 1
84 1 12 ARG H 1 13 VAL H . . 4.540 4.431 4.301 4.543 0.003 9 0 "[ . 1 . 2]" 1
85 1 12 ARG H 1 13 VAL MG1 . . 4.450 3.973 3.811 4.173 . 0 0 "[ . 1 . 2]" 1
86 1 12 ARG H 1 67 ILE MG . . 4.890 3.631 3.091 4.072 . 0 0 "[ . 1 . 2]" 1
87 1 12 ARG HA 1 12 ARG QD . . 4.630 3.964 3.691 4.110 . 0 0 "[ . 1 . 2]" 1
88 1 12 ARG HA 1 12 ARG HG2 . . 3.880 2.547 2.198 2.928 . 0 0 "[ . 1 . 2]" 1
89 1 12 ARG HA 1 12 ARG QG . . 3.380 2.247 2.152 2.326 . 0 0 "[ . 1 . 2]" 1
90 1 12 ARG HA 1 12 ARG HG3 . . 3.880 2.704 2.361 3.229 . 0 0 "[ . 1 . 2]" 1
91 1 12 ARG HA 1 13 VAL H . . 2.810 2.169 2.140 2.252 . 0 0 "[ . 1 . 2]" 1
92 1 12 ARG HA 1 13 VAL MG1 . . 4.260 3.793 3.576 3.995 . 0 0 "[ . 1 . 2]" 1
93 1 12 ARG HA 1 13 VAL MG2 . . 4.350 3.662 3.458 3.941 . 0 0 "[ . 1 . 2]" 1
94 1 12 ARG HA 1 34 VAL MG1 . . 4.340 4.078 3.599 4.319 . 0 0 "[ . 1 . 2]" 1
95 1 12 ARG HA 1 36 ILE HA . . 3.690 3.074 2.751 3.444 . 0 0 "[ . 1 . 2]" 1
96 1 12 ARG HA 1 36 ILE MD . . 3.960 3.176 2.825 3.609 . 0 0 "[ . 1 . 2]" 1
97 1 12 ARG HA 1 37 VAL H . . 3.840 3.228 2.712 3.798 . 0 0 "[ . 1 . 2]" 1
98 1 12 ARG HA 1 37 VAL MG2 . . 4.140 3.707 3.143 4.027 . 0 0 "[ . 1 . 2]" 1
99 1 12 ARG HA 1 68 LEU MD1 . . 4.740 4.334 4.023 4.739 . 0 0 "[ . 1 . 2]" 1
100 1 12 ARG QB 1 13 VAL H . . 4.060 3.438 2.864 3.766 . 0 0 "[ . 1 . 2]" 1
101 1 12 ARG QB 1 68 LEU MD1 . . 3.880 2.732 2.233 3.130 . 0 0 "[ . 1 . 2]" 1
102 1 12 ARG HB2 1 12 ARG QD . . 3.360 2.581 2.262 2.940 . 0 0 "[ . 1 . 2]" 1
103 1 12 ARG HB2 1 13 VAL H . . 4.720 4.360 4.100 4.485 . 0 0 "[ . 1 . 2]" 1
104 1 12 ARG HB2 1 68 LEU MD1 . . 4.470 4.046 3.442 4.437 . 0 0 "[ . 1 . 2]" 1
105 1 12 ARG HB3 1 12 ARG QD . . 3.360 2.360 2.078 2.780 . 0 0 "[ . 1 . 2]" 1
106 1 12 ARG HB3 1 13 VAL H . . 4.720 3.622 2.924 4.047 . 0 0 "[ . 1 . 2]" 1
107 1 12 ARG HB3 1 68 LEU MD1 . . 4.470 2.780 2.255 3.203 . 0 0 "[ . 1 . 2]" 1
108 1 12 ARG QD 1 34 VAL MG1 . . 3.570 3.050 2.222 3.572 0.002 20 0 "[ . 1 . 2]" 1
109 1 12 ARG QD 1 34 VAL MG2 . . 5.500 4.431 3.505 5.112 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG QD 1 36 ILE MD . . 3.770 3.189 2.314 3.744 . 0 0 "[ . 1 . 2]" 1
111 1 12 ARG QD 1 68 LEU MD1 . . 4.500 3.016 2.143 4.215 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG HE 1 34 VAL MG1 . . 4.620 3.532 1.849 4.623 0.003 12 0 "[ . 1 . 2]" 1
113 1 12 ARG HE 1 36 ILE MD . . 4.330 3.049 2.032 4.334 0.004 15 0 "[ . 1 . 2]" 1
114 1 12 ARG QG 1 13 VAL H . . 4.010 3.200 2.307 3.793 . 0 0 "[ . 1 . 2]" 1
115 1 12 ARG QG 1 34 VAL MG1 . . 3.640 2.860 2.008 3.615 . 0 0 "[ . 1 . 2]" 1
116 1 12 ARG QG 1 36 ILE HA . . 4.130 3.308 2.294 3.714 . 0 0 "[ . 1 . 2]" 1
117 1 12 ARG QG 1 36 ILE MD . . 3.550 2.099 1.788 2.552 . 0 0 "[ . 1 . 2]" 1
118 1 12 ARG QG 1 37 VAL H . . 5.340 4.447 3.523 4.976 . 0 0 "[ . 1 . 2]" 1
119 1 12 ARG HG2 1 36 ILE HA . . 4.850 3.995 2.310 4.844 . 0 0 "[ . 1 . 2]" 1
120 1 12 ARG HG3 1 36 ILE HA . . 4.850 3.930 3.132 4.844 . 0 0 "[ . 1 . 2]" 1
121 1 12 ARG QH1 1 68 LEU MD1 . . 4.830 3.907 2.676 4.721 . 0 0 "[ . 1 . 2]" 1
122 1 13 VAL H 1 13 VAL MG1 . . 3.580 3.052 2.916 3.211 . 0 0 "[ . 1 . 2]" 1
123 1 13 VAL H 1 13 VAL MG2 . . 3.130 2.150 1.882 2.544 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL H 1 34 VAL MG1 . . 3.730 3.377 2.940 3.692 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL H 1 35 ILE MG . . 4.880 4.715 4.488 4.867 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL H 1 36 ILE HA . . 4.260 3.938 3.569 4.237 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL H 1 36 ILE MD . . 4.570 4.079 3.325 4.574 0.004 5 0 "[ . 1 . 2]" 1
128 1 13 VAL H 1 37 VAL H . . 4.670 4.021 3.578 4.450 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL H 1 37 VAL MG2 . . 4.110 3.626 3.135 4.089 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL H 1 68 LEU MD1 . . 4.120 3.660 3.167 4.116 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL HA 1 13 VAL MG1 . . 3.100 2.290 2.211 2.411 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL HA 1 14 LYS H . . 3.000 2.487 2.300 2.630 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL HA 1 14 LYS HB3 . . 5.090 4.494 4.303 4.691 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL HA 1 65 VAL HB . . 5.000 4.596 4.378 4.752 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL HA 1 65 VAL MG2 . . 4.820 4.383 4.040 4.691 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL HA 1 67 ILE HA . . 3.360 2.243 2.011 2.423 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL HA 1 67 ILE MD . . 5.500 5.294 3.078 5.510 0.010 12 0 "[ . 1 . 2]" 1
138 1 13 VAL HA 1 67 ILE HG12 . . 5.500 4.478 4.080 5.510 0.010 7 0 "[ . 1 . 2]" 1
139 1 13 VAL HA 1 67 ILE HG13 . . 5.500 4.775 3.999 5.538 0.038 14 0 "[ . 1 . 2]" 1
140 1 13 VAL HA 1 67 ILE MG . . 4.280 3.801 3.639 3.979 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL HA 1 68 LEU H . . 3.180 2.354 2.147 2.501 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL HA 1 68 LEU HB2 . . 4.590 4.234 3.970 4.489 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL HA 1 68 LEU HB3 . . 5.340 5.335 5.257 5.345 0.005 20 0 "[ . 1 . 2]" 1
144 1 13 VAL HA 1 68 LEU MD1 . . 4.530 3.307 3.036 3.827 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL HA 1 68 LEU MD2 . . 4.610 4.184 3.669 4.551 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL HA 1 68 LEU HG . . 3.720 2.721 2.430 3.076 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL HB 1 14 LYS H . . 3.280 2.216 1.955 2.648 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL HB 1 14 LYS HA . . 4.840 4.383 4.263 4.566 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL HB 1 35 ILE HB . . 5.110 4.727 4.498 5.088 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL HB 1 65 VAL HA . . 5.290 4.497 4.237 4.695 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL HB 1 65 VAL HB . . 3.200 2.424 2.256 2.570 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL HB 1 65 VAL MG1 . . 3.810 3.791 3.704 3.819 0.009 14 0 "[ . 1 . 2]" 1
153 1 13 VAL HB 1 65 VAL MG2 . . 3.180 2.263 1.973 2.577 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL HB 1 66 HIS H . . 3.900 3.158 2.617 3.446 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL HB 1 67 ILE HA . . 4.290 3.357 3.229 3.568 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL HB 1 68 LEU H . . 4.720 4.542 4.351 4.709 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL MG1 1 14 LYS H . . 4.020 3.614 3.518 3.827 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL MG1 1 35 ILE HB . . 4.810 4.631 4.330 4.803 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL MG1 1 46 TRP HB2 . . 5.500 4.870 4.587 5.135 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL MG1 1 46 TRP HE3 . . 3.860 2.698 2.376 3.062 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL MG1 1 46 TRP HH2 . . 4.450 4.000 3.680 4.429 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL MG1 1 46 TRP HZ3 . . 3.250 2.120 1.854 2.564 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL MG1 1 65 VAL HB . . 4.190 3.825 3.599 4.041 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL MG1 1 66 HIS H . . 4.810 4.276 3.722 4.638 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL MG1 1 66 HIS HA . . 5.390 4.150 3.513 4.561 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL MG1 1 67 ILE HA . . 2.890 2.030 1.925 2.378 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL MG1 1 68 LEU H . . 3.650 3.424 3.217 3.681 0.031 14 0 "[ . 1 . 2]" 1
168 1 13 VAL MG2 1 14 LYS H . . 4.090 3.254 2.924 3.533 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL MG2 1 14 LYS HA . . 4.660 3.689 3.453 3.902 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL MG2 1 15 THR H . . 4.940 4.598 4.168 4.863 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL MG2 1 35 ILE H . . 3.610 2.907 2.543 3.413 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL MG2 1 35 ILE HA . . 5.150 4.352 4.091 4.615 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL MG2 1 35 ILE HB . . 3.080 2.170 2.006 2.343 . 0 0 "[ . 1 . 2]" 1
174 1 13 VAL MG2 1 35 ILE MD . . 3.480 2.966 2.691 3.181 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL MG2 1 35 ILE MG . . 3.600 3.105 2.822 3.360 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL MG2 1 36 ILE HA . . 5.500 4.326 3.967 4.671 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL MG2 1 37 VAL MG2 . . 3.170 2.360 2.133 2.822 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL MG2 1 46 TRP HE3 . . 5.160 3.150 2.795 3.570 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL MG2 1 60 PHE QE . . 4.000 2.226 1.956 2.746 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL MG2 1 60 PHE HZ . . 3.780 2.660 2.255 3.004 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL MG2 1 65 VAL HB . . 3.520 2.650 1.983 3.190 . 0 0 "[ . 1 . 2]" 1
182 1 13 VAL MG2 1 67 ILE HA . . 4.840 4.351 4.240 4.520 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS H 1 14 LYS HB2 . . 3.630 3.255 3.018 3.439 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS H 1 14 LYS HB3 . . 3.290 2.746 2.485 2.933 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS H 1 14 LYS HG2 . . 5.120 4.400 4.133 4.533 . 0 0 "[ . 1 . 2]" 1
186 1 14 LYS H 1 14 LYS HG3 . . 5.120 4.876 4.740 4.958 . 0 0 "[ . 1 . 2]" 1
187 1 14 LYS H 1 15 THR H . . 5.050 4.319 4.121 4.459 . 0 0 "[ . 1 . 2]" 1
188 1 14 LYS H 1 15 THR MG . . 5.500 5.038 4.852 5.219 . 0 0 "[ . 1 . 2]" 1
189 1 14 LYS H 1 65 VAL HB . . 3.850 2.915 2.580 3.297 . 0 0 "[ . 1 . 2]" 1
190 1 14 LYS H 1 65 VAL MG1 . . 4.760 4.312 3.984 4.639 . 0 0 "[ . 1 . 2]" 1
191 1 14 LYS H 1 65 VAL MG2 . . 4.550 3.795 3.284 4.195 . 0 0 "[ . 1 . 2]" 1
192 1 14 LYS H 1 67 ILE HA . . 4.280 3.857 3.692 4.044 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS H 1 68 LEU H . . 4.540 4.115 3.843 4.362 . 0 0 "[ . 1 . 2]" 1
194 1 14 LYS H 1 68 LEU MD1 . . 4.460 4.045 3.702 4.461 0.001 14 0 "[ . 1 . 2]" 1
195 1 14 LYS H 1 68 LEU MD2 . . 4.740 3.868 3.288 4.593 . 0 0 "[ . 1 . 2]" 1
196 1 14 LYS H 1 68 LEU HG . . 4.280 3.371 2.969 3.748 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS HA 1 14 LYS QE . . 5.100 4.566 4.170 4.802 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS HA 1 14 LYS HG2 . . 4.040 2.881 2.670 3.240 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS HA 1 14 LYS QG . . 3.340 2.545 2.443 2.685 . 0 0 "[ . 1 . 2]" 1
200 1 14 LYS HA 1 14 LYS HG3 . . 4.040 2.848 2.727 2.952 . 0 0 "[ . 1 . 2]" 1
201 1 14 LYS HA 1 15 THR H . . 2.820 2.193 2.141 2.246 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS HA 1 15 THR HA . . 4.720 4.346 4.333 4.376 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS HA 1 15 THR MG . . 4.170 3.618 3.399 3.821 . 0 0 "[ . 1 . 2]" 1
204 1 14 LYS HA 1 34 VAL HA . . 4.390 2.358 2.074 2.692 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS HA 1 34 VAL MG1 . . 4.690 3.788 3.502 4.194 . 0 0 "[ . 1 . 2]" 1
206 1 14 LYS HA 1 34 VAL MG2 . . 3.700 3.491 3.243 3.698 . 0 0 "[ . 1 . 2]" 1
207 1 14 LYS HA 1 35 ILE H . . 3.900 3.219 2.680 3.652 . 0 0 "[ . 1 . 2]" 1
208 1 14 LYS HA 1 68 LEU MD1 . . 4.970 3.884 3.545 4.227 . 0 0 "[ . 1 . 2]" 1
209 1 14 LYS HA 1 68 LEU MD2 . . 5.000 4.217 3.900 4.787 . 0 0 "[ . 1 . 2]" 1
210 1 14 LYS HB2 1 14 LYS QE . . 4.640 3.321 2.421 4.113 . 0 0 "[ . 1 . 2]" 1
211 1 14 LYS HB2 1 15 THR H . . 4.830 4.095 3.867 4.291 . 0 0 "[ . 1 . 2]" 1
212 1 14 LYS HB2 1 68 LEU MD1 . . 3.290 2.483 1.994 3.053 . 0 0 "[ . 1 . 2]" 1
213 1 14 LYS HB2 1 68 LEU MD2 . . 3.520 2.131 1.932 2.706 . 0 0 "[ . 1 . 2]" 1
214 1 14 LYS HB3 1 14 LYS QE . . 4.650 3.691 3.036 4.039 . 0 0 "[ . 1 . 2]" 1
215 1 14 LYS HB3 1 15 THR H . . 4.470 4.090 3.874 4.288 . 0 0 "[ . 1 . 2]" 1
216 1 14 LYS HB3 1 16 ILE MG . . 4.730 3.633 3.407 3.928 . 0 0 "[ . 1 . 2]" 1
217 1 14 LYS HB3 1 66 HIS H . . 4.460 3.748 3.529 4.074 . 0 0 "[ . 1 . 2]" 1
218 1 14 LYS HB3 1 66 HIS QB . . 5.300 4.808 4.529 5.091 . 0 0 "[ . 1 . 2]" 1
219 1 14 LYS HB3 1 66 HIS HD2 . . 5.500 3.064 1.995 5.509 0.009 20 0 "[ . 1 . 2]" 1
220 1 14 LYS HB3 1 66 HIS HE1 . . 5.340 3.940 2.001 5.096 . 0 0 "[ . 1 . 2]" 1
221 1 14 LYS HB3 1 68 LEU MD2 . . 3.640 2.394 1.978 2.914 . 0 0 "[ . 1 . 2]" 1
222 1 14 LYS QD 1 15 THR H . . 4.950 4.375 4.075 4.709 . 0 0 "[ . 1 . 2]" 1
223 1 14 LYS QD 1 16 ILE MG . . 4.950 3.061 2.858 3.416 . 0 0 "[ . 1 . 2]" 1
224 1 14 LYS QD 1 32 GLY HA2 . . 4.400 3.539 2.713 3.933 . 0 0 "[ . 1 . 2]" 1
225 1 14 LYS QD 1 32 GLY HA3 . . 5.500 5.146 4.389 5.501 0.001 14 0 "[ . 1 . 2]" 1
226 1 14 LYS QD 1 33 GLU H . . 4.990 4.456 3.929 4.992 0.002 2 0 "[ . 1 . 2]" 1
227 1 14 LYS QD 1 66 HIS QB . . 5.340 5.239 4.872 5.370 0.030 20 0 "[ . 1 . 2]" 1
228 1 14 LYS QD 1 66 HIS HE1 . . 5.500 3.473 1.898 4.372 . 0 0 "[ . 1 . 2]" 1
229 1 14 LYS QD 1 68 LEU MD2 . . 3.750 2.469 1.978 2.907 . 0 0 "[ . 1 . 2]" 1
230 1 14 LYS QE 1 14 LYS HG2 . . 3.890 2.946 2.609 3.385 . 0 0 "[ . 1 . 2]" 1
231 1 14 LYS QE 1 14 LYS HG3 . . 3.890 2.238 2.086 2.361 . 0 0 "[ . 1 . 2]" 1
232 1 14 LYS QE 1 16 ILE MG . . 5.180 4.783 4.353 5.186 0.006 7 0 "[ . 1 . 2]" 1
233 1 14 LYS QE 1 32 GLY H . . 5.050 4.346 3.548 5.047 . 0 0 "[ . 1 . 2]" 1
234 1 14 LYS QE 1 32 GLY HA2 . . 3.820 2.774 2.011 3.479 . 0 0 "[ . 1 . 2]" 1
235 1 14 LYS QE 1 32 GLY HA3 . . 4.800 4.251 3.534 4.802 0.002 8 0 "[ . 1 . 2]" 1
236 1 14 LYS QE 1 34 VAL MG2 . . 4.130 3.352 2.481 4.053 . 0 0 "[ . 1 . 2]" 1
237 1 14 LYS QE 1 68 LEU MD1 . . 4.640 4.139 3.256 4.635 . 0 0 "[ . 1 . 2]" 1
238 1 14 LYS QE 1 68 LEU MD2 . . 4.140 3.220 2.094 3.858 . 0 0 "[ . 1 . 2]" 1
239 1 14 LYS QG 1 15 THR MG . . 5.340 4.165 3.984 4.366 . 0 0 "[ . 1 . 2]" 1
240 1 14 LYS QG 1 32 GLY H . . 4.920 3.506 3.218 3.724 . 0 0 "[ . 1 . 2]" 1
241 1 14 LYS QG 1 32 GLY HA3 . . 5.100 4.803 4.289 5.091 . 0 0 "[ . 1 . 2]" 1
242 1 14 LYS QG 1 33 GLU H . . 4.530 2.953 2.637 3.424 . 0 0 "[ . 1 . 2]" 1
243 1 14 LYS HG2 1 15 THR H . . 3.790 2.532 2.133 2.879 . 0 0 "[ . 1 . 2]" 1
244 1 14 LYS HG2 1 32 GLY HA2 . . 4.370 3.780 3.530 4.182 . 0 0 "[ . 1 . 2]" 1
245 1 14 LYS HG3 1 15 THR H . . 3.790 3.292 2.753 3.774 . 0 0 "[ . 1 . 2]" 1
246 1 14 LYS HG3 1 32 GLY HA2 . . 4.370 3.897 2.805 4.377 0.007 6 0 "[ . 1 . 2]" 1
247 1 15 THR H 1 15 THR HG1 . . 4.290 3.292 2.946 3.630 . 0 0 "[ . 1 . 2]" 1
248 1 15 THR H 1 15 THR MG . . 3.030 2.247 1.980 2.481 . 0 0 "[ . 1 . 2]" 1
249 1 15 THR H 1 16 ILE H . . 5.010 4.277 4.183 4.488 . 0 0 "[ . 1 . 2]" 1
250 1 15 THR H 1 31 GLU HA . . 5.500 5.206 4.951 5.397 . 0 0 "[ . 1 . 2]" 1
251 1 15 THR H 1 32 GLY H . . 4.500 4.114 3.718 4.403 . 0 0 "[ . 1 . 2]" 1
252 1 15 THR H 1 32 GLY HA2 . . 5.500 5.126 4.466 5.502 0.002 16 0 "[ . 1 . 2]" 1
253 1 15 THR H 1 33 GLU H . . 3.920 2.934 2.515 3.399 . 0 0 "[ . 1 . 2]" 1
254 1 15 THR H 1 33 GLU HB2 . . 4.590 3.617 3.496 3.833 . 0 0 "[ . 1 . 2]" 1
255 1 15 THR H 1 34 VAL MG2 . . 4.750 4.522 4.208 4.744 . 0 0 "[ . 1 . 2]" 1
256 1 15 THR H 1 35 ILE MD . . 4.830 3.991 3.667 4.284 . 0 0 "[ . 1 . 2]" 1
257 1 15 THR H 1 35 ILE HG13 . . 5.170 4.043 3.482 4.597 . 0 0 "[ . 1 . 2]" 1
258 1 15 THR H 1 65 VAL MG1 . . 4.640 3.710 3.387 3.964 . 0 0 "[ . 1 . 2]" 1
259 1 15 THR HA 1 15 THR MG . . 3.170 2.409 2.342 2.502 . 0 0 "[ . 1 . 2]" 1
260 1 15 THR HA 1 16 ILE H . . 2.900 2.191 2.143 2.227 . 0 0 "[ . 1 . 2]" 1
261 1 15 THR HA 1 16 ILE MG . . 4.620 4.243 3.763 4.433 . 0 0 "[ . 1 . 2]" 1
262 1 15 THR HA 1 17 TYR H . . 3.700 3.256 3.173 3.430 . 0 0 "[ . 1 . 2]" 1
263 1 15 THR HA 1 35 ILE MD . . 5.030 4.106 3.788 4.387 . 0 0 "[ . 1 . 2]" 1
264 1 15 THR HA 1 65 VAL HA . . 3.300 2.412 2.235 2.600 . 0 0 "[ . 1 . 2]" 1
265 1 15 THR HA 1 65 VAL HB . . 4.350 3.308 3.026 3.520 . 0 0 "[ . 1 . 2]" 1
266 1 15 THR HA 1 65 VAL MG1 . . 3.230 2.079 1.965 2.454 . 0 0 "[ . 1 . 2]" 1
267 1 15 THR HA 1 66 HIS H . . 4.170 4.022 3.898 4.171 0.001 2 0 "[ . 1 . 2]" 1
268 1 15 THR HB 1 16 ILE H . . 4.300 3.799 3.394 3.928 . 0 0 "[ . 1 . 2]" 1
269 1 15 THR HB 1 17 TYR H . . 3.930 3.072 2.934 3.250 . 0 0 "[ . 1 . 2]" 1
270 1 15 THR HB 1 29 PHE QD . . 4.150 2.374 2.038 2.763 . 0 0 "[ . 1 . 2]" 1
271 1 15 THR HB 1 29 PHE QE . . 3.980 2.645 2.358 2.953 . 0 0 "[ . 1 . 2]" 1
272 1 15 THR HB 1 31 GLU HA . . 4.120 3.347 3.120 3.626 . 0 0 "[ . 1 . 2]" 1
273 1 15 THR HB 1 32 GLY H . . 4.220 4.032 3.761 4.225 0.005 13 0 "[ . 1 . 2]" 1
274 1 15 THR HB 1 33 GLU H . . 4.920 4.141 3.915 4.299 . 0 0 "[ . 1 . 2]" 1
275 1 15 THR HB 1 35 ILE MD . . 5.470 4.304 4.099 4.504 . 0 0 "[ . 1 . 2]" 1
276 1 15 THR HB 1 65 VAL MG1 . . 4.890 3.537 3.345 3.861 . 0 0 "[ . 1 . 2]" 1
277 1 15 THR HG1 1 15 THR MG . . 3.370 2.986 2.897 3.040 . 0 0 "[ . 1 . 2]" 1
278 1 15 THR HG1 1 17 TYR H . . 4.840 4.141 3.664 4.410 . 0 0 "[ . 1 . 2]" 1
279 1 15 THR HG1 1 29 PHE QD . . 4.210 3.392 2.972 3.739 . 0 0 "[ . 1 . 2]" 1
280 1 15 THR HG1 1 31 GLU HA . . 3.450 2.260 2.034 2.671 . 0 0 "[ . 1 . 2]" 1
281 1 15 THR HG1 1 31 GLU HB2 . . 5.180 4.668 4.428 5.106 . 0 0 "[ . 1 . 2]" 1
282 1 15 THR HG1 1 32 GLY H . . 3.530 2.139 1.907 2.358 . 0 0 "[ . 1 . 2]" 1
283 1 15 THR HG1 1 33 GLU H . . 3.140 2.233 1.902 2.553 . 0 0 "[ . 1 . 2]" 1
284 1 15 THR HG1 1 33 GLU HB2 . . 4.690 2.931 2.721 3.129 . 0 0 "[ . 1 . 2]" 1
285 1 15 THR HG1 1 33 GLU HB3 . . 4.940 4.641 4.438 4.859 . 0 0 "[ . 1 . 2]" 1
286 1 15 THR HG1 1 33 GLU HG3 . . 5.020 4.412 3.513 4.792 . 0 0 "[ . 1 . 2]" 1
287 1 15 THR MG 1 16 ILE H . . 4.340 4.195 4.143 4.265 . 0 0 "[ . 1 . 2]" 1
288 1 15 THR MG 1 17 TYR H . . 4.530 4.340 4.194 4.522 . 0 0 "[ . 1 . 2]" 1
289 1 15 THR MG 1 27 LEU HG . . 5.500 5.460 5.359 5.504 0.004 9 0 "[ . 1 . 2]" 1
290 1 15 THR MG 1 29 PHE HB2 . . 3.710 2.231 2.041 2.476 . 0 0 "[ . 1 . 2]" 1
291 1 15 THR MG 1 29 PHE HB3 . . 4.270 3.141 2.899 3.359 . 0 0 "[ . 1 . 2]" 1
292 1 15 THR MG 1 29 PHE QD . . 3.520 2.218 1.958 2.454 . 0 0 "[ . 1 . 2]" 1
293 1 15 THR MG 1 29 PHE QE . . 3.910 2.705 2.519 2.958 . 0 0 "[ . 1 . 2]" 1
294 1 15 THR MG 1 29 PHE HZ . . 4.460 3.562 3.256 3.903 . 0 0 "[ . 1 . 2]" 1
295 1 15 THR MG 1 30 ILE H . . 5.240 3.600 3.320 3.835 . 0 0 "[ . 1 . 2]" 1
296 1 15 THR MG 1 30 ILE HG13 . . 5.500 5.368 5.216 5.478 . 0 0 "[ . 1 . 2]" 1
297 1 15 THR MG 1 31 GLU HA . . 4.780 4.597 4.443 4.773 . 0 0 "[ . 1 . 2]" 1
298 1 15 THR MG 1 32 GLY H . . 4.810 4.588 4.321 4.749 . 0 0 "[ . 1 . 2]" 1
299 1 15 THR MG 1 33 GLU H . . 4.080 3.716 3.439 3.990 . 0 0 "[ . 1 . 2]" 1
300 1 15 THR MG 1 33 GLU HB2 . . 3.670 2.588 2.181 2.852 . 0 0 "[ . 1 . 2]" 1
301 1 15 THR MG 1 33 GLU HB3 . . 4.580 3.561 3.178 3.940 . 0 0 "[ . 1 . 2]" 1
302 1 15 THR MG 1 33 GLU HG2 . . 4.940 4.646 4.252 4.944 0.004 9 0 "[ . 1 . 2]" 1
303 1 15 THR MG 1 33 GLU HG3 . . 4.980 4.159 3.809 4.529 . 0 0 "[ . 1 . 2]" 1
304 1 15 THR MG 1 34 VAL H . . 5.300 4.885 4.565 5.196 . 0 0 "[ . 1 . 2]" 1
305 1 15 THR MG 1 34 VAL HA . . 4.760 4.312 4.066 4.586 . 0 0 "[ . 1 . 2]" 1
306 1 15 THR MG 1 35 ILE H . . 4.910 4.383 3.891 4.876 . 0 0 "[ . 1 . 2]" 1
307 1 15 THR MG 1 35 ILE MD . . 2.900 1.914 1.827 2.106 . 0 0 "[ . 1 . 2]" 1
308 1 15 THR MG 1 65 VAL HA . . 4.620 4.069 3.879 4.260 . 0 0 "[ . 1 . 2]" 1
309 1 15 THR MG 1 65 VAL MG1 . . 3.210 2.142 1.872 2.331 . 0 0 "[ . 1 . 2]" 1
310 1 15 THR MG 1 66 HIS H . . 5.500 5.201 5.080 5.347 . 0 0 "[ . 1 . 2]" 1
311 1 16 ILE H 1 16 ILE HB . . 4.070 3.601 3.572 3.701 . 0 0 "[ . 1 . 2]" 1
312 1 16 ILE H 1 16 ILE MD . . 3.770 3.522 1.800 3.716 . 0 0 "[ . 1 . 2]" 1
313 1 16 ILE H 1 16 ILE HG12 . . 3.920 1.981 1.898 2.635 . 0 0 "[ . 1 . 2]" 1
314 1 16 ILE H 1 16 ILE QG . . 3.420 1.924 1.839 2.582 . 0 0 "[ . 1 . 2]" 1
315 1 16 ILE H 1 16 ILE HG13 . . 3.920 2.619 2.370 3.701 . 0 0 "[ . 1 . 2]" 1
316 1 16 ILE H 1 16 ILE MG . . 3.360 2.689 2.386 2.977 . 0 0 "[ . 1 . 2]" 1
317 1 16 ILE H 1 17 TYR H . . 2.960 2.465 2.244 2.596 . 0 0 "[ . 1 . 2]" 1
318 1 16 ILE H 1 17 TYR HA . . 5.500 5.123 4.885 5.233 . 0 0 "[ . 1 . 2]" 1
319 1 16 ILE H 1 17 TYR QD . . 5.080 4.775 4.318 4.962 . 0 0 "[ . 1 . 2]" 1
320 1 16 ILE H 1 64 PHE HA . . 5.500 4.851 4.431 5.125 . 0 0 "[ . 1 . 2]" 1
321 1 16 ILE H 1 64 PHE HB3 . . 4.900 4.757 4.388 4.902 0.002 14 0 "[ . 1 . 2]" 1
322 1 16 ILE H 1 65 VAL HA . . 3.470 2.218 1.918 2.577 . 0 0 "[ . 1 . 2]" 1
323 1 16 ILE H 1 65 VAL HB . . 4.980 4.219 3.909 4.588 . 0 0 "[ . 1 . 2]" 1
324 1 16 ILE H 1 65 VAL MG1 . . 4.130 3.608 3.358 3.975 . 0 0 "[ . 1 . 2]" 1
325 1 16 ILE HA 1 16 ILE MD . . 4.200 4.140 3.520 4.181 . 0 0 "[ . 1 . 2]" 1
326 1 16 ILE HA 1 16 ILE MG . . 3.100 2.168 2.056 2.380 . 0 0 "[ . 1 . 2]" 1
327 1 16 ILE HA 1 31 GLU HA . . 4.620 4.042 3.478 4.344 . 0 0 "[ . 1 . 2]" 1
328 1 16 ILE HA 1 31 GLU HG2 . . 4.030 3.869 3.229 4.025 . 0 0 "[ . 1 . 2]" 1
329 1 16 ILE HA 1 31 GLU HG3 . . 3.830 3.300 2.775 3.705 . 0 0 "[ . 1 . 2]" 1
330 1 16 ILE HA 1 32 GLY H . . 4.500 3.849 3.517 4.211 . 0 0 "[ . 1 . 2]" 1
331 1 16 ILE HB 1 16 ILE MD . . 3.050 2.384 2.194 3.187 0.137 19 0 "[ . 1 . 2]" 1
332 1 16 ILE HB 1 17 TYR H . . 4.320 4.060 3.927 4.282 . 0 0 "[ . 1 . 2]" 1
333 1 16 ILE HB 1 17 TYR QD . . 4.790 4.092 3.878 4.364 . 0 0 "[ . 1 . 2]" 1
334 1 16 ILE HB 1 17 TYR QE . . 4.790 3.961 3.633 4.300 . 0 0 "[ . 1 . 2]" 1
335 1 16 ILE MD 1 17 TYR H . . 4.420 4.301 3.360 4.422 0.002 20 0 "[ . 1 . 2]" 1
336 1 16 ILE MD 1 17 TYR QD . . 3.750 3.190 2.782 3.523 . 0 0 "[ . 1 . 2]" 1
337 1 16 ILE MD 1 17 TYR QE . . 3.530 2.462 2.048 3.468 . 0 0 "[ . 1 . 2]" 1
338 1 16 ILE MD 1 64 PHE HA . . 3.870 3.641 3.135 3.871 0.001 17 0 "[ . 1 . 2]" 1
339 1 16 ILE MD 1 65 VAL H . . 4.540 4.241 2.874 4.541 0.001 7 0 "[ . 1 . 2]" 1
340 1 16 ILE MD 1 65 VAL HA . . 4.340 3.733 1.816 4.068 . 0 0 "[ . 1 . 2]" 1
341 1 16 ILE MD 1 66 HIS H . . 4.590 4.189 2.755 4.528 . 0 0 "[ . 1 . 2]" 1
342 1 16 ILE MD 1 66 HIS QB . . 4.150 2.500 2.260 2.795 . 0 0 "[ . 1 . 2]" 1
343 1 16 ILE MD 1 66 HIS HD2 . . 5.500 4.781 3.236 5.505 0.005 6 0 "[ . 1 . 2]" 1
344 1 16 ILE QG 1 17 TYR H . . 3.690 2.695 2.560 2.985 . 0 0 "[ . 1 . 2]" 1
345 1 16 ILE QG 1 17 TYR HA . . 5.100 4.205 4.031 4.363 . 0 0 "[ . 1 . 2]" 1
346 1 16 ILE QG 1 17 TYR QD . . 4.240 2.849 2.441 3.171 . 0 0 "[ . 1 . 2]" 1
347 1 16 ILE QG 1 17 TYR QE . . 4.720 3.419 2.832 3.727 . 0 0 "[ . 1 . 2]" 1
348 1 16 ILE QG 1 64 PHE HA . . 4.220 3.385 3.081 3.911 . 0 0 "[ . 1 . 2]" 1
349 1 16 ILE QG 1 65 VAL HA . . 3.930 2.475 2.162 3.796 . 0 0 "[ . 1 . 2]" 1
350 1 16 ILE HG12 1 17 TYR QD . . 4.920 4.202 2.783 4.675 . 0 0 "[ . 1 . 2]" 1
351 1 16 ILE HG12 1 17 TYR QE . . 5.500 4.589 3.193 5.033 . 0 0 "[ . 1 . 2]" 1
352 1 16 ILE HG12 1 65 VAL HA . . 4.530 2.522 2.194 4.077 . 0 0 "[ . 1 . 2]" 1
353 1 16 ILE HG13 1 17 TYR QD . . 4.920 2.947 2.476 3.842 . 0 0 "[ . 1 . 2]" 1
354 1 16 ILE HG13 1 17 TYR QE . . 5.500 3.535 3.166 3.844 . 0 0 "[ . 1 . 2]" 1
355 1 16 ILE HG13 1 65 VAL HA . . 4.530 3.709 3.266 4.526 . 0 0 "[ . 1 . 2]" 1
356 1 16 ILE MG 1 17 TYR H . . 4.680 4.251 4.181 4.313 . 0 0 "[ . 1 . 2]" 1
357 1 16 ILE MG 1 17 TYR QD . . 5.340 4.966 4.901 5.046 . 0 0 "[ . 1 . 2]" 1
358 1 16 ILE MG 1 17 TYR QE . . 5.500 4.832 4.636 5.074 . 0 0 "[ . 1 . 2]" 1
359 1 16 ILE MG 1 65 VAL HA . . 3.780 3.538 2.951 3.778 . 0 0 "[ . 1 . 2]" 1
360 1 16 ILE MG 1 66 HIS H . . 3.780 3.152 2.537 3.560 . 0 0 "[ . 1 . 2]" 1
361 1 16 ILE MG 1 66 HIS HA . . 4.690 4.309 3.797 4.658 . 0 0 "[ . 1 . 2]" 1
362 1 16 ILE MG 1 66 HIS HB2 . . 3.800 3.482 3.123 3.799 . 0 0 "[ . 1 . 2]" 1
363 1 16 ILE MG 1 66 HIS QB . . 3.260 2.123 1.800 2.483 . 0 0 "[ . 1 . 2]" 1
364 1 16 ILE MG 1 66 HIS HB3 . . 3.800 2.142 1.811 2.518 . 0 0 "[ . 1 . 2]" 1
365 1 16 ILE MG 1 66 HIS HD2 . . 4.420 2.930 1.983 4.426 0.006 7 0 "[ . 1 . 2]" 1
366 1 16 ILE MG 1 66 HIS HE1 . . 5.090 3.955 2.950 4.557 . 0 0 "[ . 1 . 2]" 1
367 1 17 TYR H 1 17 TYR HB2 . . 4.020 2.758 2.708 2.811 . 0 0 "[ . 1 . 2]" 1
368 1 17 TYR H 1 17 TYR QB . . 3.360 2.700 2.655 2.748 . 0 0 "[ . 1 . 2]" 1
369 1 17 TYR H 1 17 TYR HB3 . . 4.020 3.845 3.817 3.875 . 0 0 "[ . 1 . 2]" 1
370 1 17 TYR H 1 17 TYR QD . . 4.160 3.726 3.631 3.820 . 0 0 "[ . 1 . 2]" 1
371 1 17 TYR H 1 18 ASP H . . 4.580 4.428 4.385 4.454 . 0 0 "[ . 1 . 2]" 1
372 1 17 TYR H 1 29 PHE QE . . 4.170 3.906 3.592 4.095 . 0 0 "[ . 1 . 2]" 1
373 1 17 TYR H 1 31 GLU HA . . 4.270 3.616 3.308 3.808 . 0 0 "[ . 1 . 2]" 1
374 1 17 TYR H 1 31 GLU HB2 . . 4.790 4.459 4.231 4.754 . 0 0 "[ . 1 . 2]" 1
375 1 17 TYR H 1 31 GLU HG2 . . 5.500 5.235 4.784 5.459 . 0 0 "[ . 1 . 2]" 1
376 1 17 TYR H 1 31 GLU HG3 . . 4.720 4.079 3.768 4.285 . 0 0 "[ . 1 . 2]" 1
377 1 17 TYR H 1 64 PHE HB3 . . 4.550 3.939 3.631 4.352 . 0 0 "[ . 1 . 2]" 1
378 1 17 TYR H 1 65 VAL HA . . 4.550 4.156 3.951 4.491 . 0 0 "[ . 1 . 2]" 1
379 1 17 TYR HA 1 17 TYR QD . . 3.440 2.168 2.041 2.333 . 0 0 "[ . 1 . 2]" 1
380 1 17 TYR HA 1 18 ASP H . . 3.100 2.348 2.255 2.462 . 0 0 "[ . 1 . 2]" 1
381 1 17 TYR HA 1 31 GLU HB2 . . 4.110 2.891 2.568 3.281 . 0 0 "[ . 1 . 2]" 1
382 1 17 TYR HA 1 31 GLU HB3 . . 5.080 4.576 4.302 4.978 . 0 0 "[ . 1 . 2]" 1
383 1 17 TYR HA 1 31 GLU HG3 . . 4.720 2.984 2.631 3.263 . 0 0 "[ . 1 . 2]" 1
384 1 17 TYR QB 1 18 ASP H . . 3.180 2.525 2.267 2.756 . 0 0 "[ . 1 . 2]" 1
385 1 17 TYR QB 1 64 PHE HA . . 4.240 3.203 2.908 3.476 . 0 0 "[ . 1 . 2]" 1
386 1 17 TYR QB 1 64 PHE HB3 . . 4.840 3.125 2.628 3.569 . 0 0 "[ . 1 . 2]" 1
387 1 17 TYR QB 1 64 PHE QD . . 3.680 2.878 2.589 3.193 . 0 0 "[ . 1 . 2]" 1
388 1 17 TYR HB2 1 18 ASP H . . 3.880 3.701 3.516 3.881 0.001 19 0 "[ . 1 . 2]" 1
389 1 17 TYR HB2 1 64 PHE QD . . 4.360 2.978 2.653 3.297 . 0 0 "[ . 1 . 2]" 1
390 1 17 TYR HB2 1 64 PHE QE . . 4.810 4.337 4.010 4.632 . 0 0 "[ . 1 . 2]" 1
391 1 17 TYR HB3 1 18 ASP H . . 3.880 2.571 2.294 2.819 . 0 0 "[ . 1 . 2]" 1
392 1 17 TYR HB3 1 64 PHE QD . . 4.360 3.833 3.325 4.361 0.001 6 0 "[ . 1 . 2]" 1
393 1 17 TYR HB3 1 64 PHE QE . . 4.810 4.384 3.850 4.763 . 0 0 "[ . 1 . 2]" 1
394 1 17 TYR QD 1 18 ASP H . . 4.440 3.748 3.553 3.919 . 0 0 "[ . 1 . 2]" 1
395 1 17 TYR QD 1 64 PHE H . . 5.040 4.969 4.886 5.040 0.000 2 0 "[ . 1 . 2]" 1
396 1 17 TYR QD 1 64 PHE HA . . 3.640 2.107 1.999 2.262 . 0 0 "[ . 1 . 2]" 1
397 1 17 TYR QD 1 64 PHE HB2 . . 5.250 4.788 4.573 4.996 . 0 0 "[ . 1 . 2]" 1
398 1 17 TYR QD 1 64 PHE HB3 . . 4.550 3.827 3.487 4.183 . 0 0 "[ . 1 . 2]" 1
399 1 17 TYR QD 1 64 PHE QD . . 4.310 3.841 3.657 3.986 . 0 0 "[ . 1 . 2]" 1
400 1 17 TYR QD 1 64 PHE QE . . 4.990 4.752 4.529 4.959 . 0 0 "[ . 1 . 2]" 1
401 1 17 TYR QE 1 64 PHE HA . . 4.050 3.716 3.322 4.037 . 0 0 "[ . 1 . 2]" 1
402 1 17 TYR QE 1 64 PHE QD . . 5.500 5.322 4.931 5.489 . 0 0 "[ . 1 . 2]" 1
403 1 18 ASP H 1 18 ASP HB2 . . 3.820 3.265 2.612 3.655 . 0 0 "[ . 1 . 2]" 1
404 1 18 ASP H 1 18 ASP QB . . 3.150 2.672 2.193 2.924 . 0 0 "[ . 1 . 2]" 1
405 1 18 ASP H 1 18 ASP HB3 . . 3.820 3.063 2.235 3.638 . 0 0 "[ . 1 . 2]" 1
406 1 18 ASP H 1 31 GLU H . . 4.590 3.924 3.603 4.364 . 0 0 "[ . 1 . 2]" 1
407 1 18 ASP H 1 31 GLU HB2 . . 4.060 3.042 2.652 3.295 . 0 0 "[ . 1 . 2]" 1
408 1 18 ASP H 1 31 GLU HB3 . . 4.870 4.611 4.170 4.862 . 0 0 "[ . 1 . 2]" 1
409 1 18 ASP HA 1 19 CYS H . . 2.970 2.204 2.141 2.297 . 0 0 "[ . 1 . 2]" 1
410 1 18 ASP HA 1 30 ILE HA . . 3.400 2.217 1.999 2.419 . 0 0 "[ . 1 . 2]" 1
411 1 18 ASP HA 1 31 GLU H . . 3.700 2.295 2.015 2.739 . 0 0 "[ . 1 . 2]" 1
412 1 18 ASP QB 1 19 CYS H . . 3.400 3.057 2.721 3.403 0.003 19 0 "[ . 1 . 2]" 1
413 1 18 ASP QB 1 30 ILE HA . . 3.850 3.038 2.817 3.317 . 0 0 "[ . 1 . 2]" 1
414 1 18 ASP QB 1 30 ILE MG . . 4.170 3.224 2.841 3.535 . 0 0 "[ . 1 . 2]" 1
415 1 18 ASP HB2 1 19 CYS H . . 4.220 3.428 2.777 4.117 . 0 0 "[ . 1 . 2]" 1
416 1 18 ASP HB2 1 30 ILE HA . . 4.510 3.766 3.022 4.514 0.004 11 0 "[ . 1 . 2]" 1
417 1 18 ASP HB2 1 31 GLU H . . 4.720 3.601 2.089 4.282 . 0 0 "[ . 1 . 2]" 1
418 1 18 ASP HB3 1 19 CYS H . . 4.220 3.729 2.926 4.198 . 0 0 "[ . 1 . 2]" 1
419 1 18 ASP HB3 1 30 ILE HA . . 4.510 3.449 2.856 4.454 . 0 0 "[ . 1 . 2]" 1
420 1 18 ASP HB3 1 31 GLU H . . 4.720 2.784 2.088 3.595 . 0 0 "[ . 1 . 2]" 1
421 1 19 CYS H 1 19 CYS HB2 . . 3.800 3.014 2.738 3.202 . 0 0 "[ . 1 . 2]" 1
422 1 19 CYS H 1 19 CYS HB3 . . 3.490 3.033 2.789 3.223 . 0 0 "[ . 1 . 2]" 1
423 1 19 CYS H 1 28 THR MG . . 5.320 4.999 4.761 5.314 . 0 0 "[ . 1 . 2]" 1
424 1 19 CYS H 1 29 PHE QD . . 4.010 3.540 2.884 3.971 . 0 0 "[ . 1 . 2]" 1
425 1 19 CYS H 1 29 PHE QE . . 4.630 3.845 2.877 4.369 . 0 0 "[ . 1 . 2]" 1
426 1 19 CYS H 1 30 ILE HA . . 3.690 2.606 2.422 2.835 . 0 0 "[ . 1 . 2]" 1
427 1 19 CYS H 1 31 GLU H . . 4.690 4.131 3.834 4.484 . 0 0 "[ . 1 . 2]" 1
428 1 19 CYS HA 1 20 GLN H . . 2.750 2.213 2.138 2.489 . 0 0 "[ . 1 . 2]" 1
429 1 19 CYS HA 1 64 PHE QD . . 5.010 4.232 3.902 4.788 . 0 0 "[ . 1 . 2]" 1
430 1 19 CYS HA 1 64 PHE QE . . 4.280 3.739 3.110 4.258 . 0 0 "[ . 1 . 2]" 1
431 1 19 CYS HB2 1 29 PHE H . . 4.950 4.841 4.717 4.952 0.002 13 0 "[ . 1 . 2]" 1
432 1 19 CYS HB2 1 29 PHE QE . . 3.990 2.695 2.322 3.225 . 0 0 "[ . 1 . 2]" 1
433 1 19 CYS HB2 1 29 PHE HZ . . 4.190 2.983 2.469 3.487 . 0 0 "[ . 1 . 2]" 1
434 1 19 CYS HB2 1 64 PHE QD . . 3.690 2.440 2.000 2.787 . 0 0 "[ . 1 . 2]" 1
435 1 19 CYS HB2 1 64 PHE QE . . 4.150 3.498 2.797 4.148 . 0 0 "[ . 1 . 2]" 1
436 1 19 CYS HB3 1 20 GLN H . . 4.660 3.846 3.057 4.239 . 0 0 "[ . 1 . 2]" 1
437 1 19 CYS HB3 1 29 PHE H . . 3.760 3.288 3.039 3.491 . 0 0 "[ . 1 . 2]" 1
438 1 19 CYS HB3 1 29 PHE QD . . 4.670 3.707 3.470 4.056 . 0 0 "[ . 1 . 2]" 1
439 1 19 CYS HB3 1 29 PHE QE . . 4.200 3.150 2.842 3.621 . 0 0 "[ . 1 . 2]" 1
440 1 19 CYS HB3 1 29 PHE HZ . . 4.500 3.221 2.766 3.795 . 0 0 "[ . 1 . 2]" 1
441 1 19 CYS HB3 1 64 PHE QD . . 4.380 4.073 3.560 4.379 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLN H 1 20 GLN HB2 . . 3.720 2.885 2.380 3.607 . 0 0 "[ . 1 . 2]" 1
443 1 20 GLN H 1 20 GLN QB . . 3.210 2.504 2.321 3.131 . 0 0 "[ . 1 . 2]" 1
444 1 20 GLN H 1 20 GLN HB3 . . 3.720 2.962 2.451 3.677 . 0 0 "[ . 1 . 2]" 1
445 1 20 GLN H 1 20 GLN HG2 . . 5.420 4.328 1.983 4.977 . 0 0 "[ . 1 . 2]" 1
446 1 20 GLN H 1 20 GLN QG . . 4.660 3.734 1.973 4.318 . 0 0 "[ . 1 . 2]" 1
447 1 20 GLN H 1 20 GLN HG3 . . 5.420 4.192 2.774 5.082 . 0 0 "[ . 1 . 2]" 1
448 1 20 GLN H 1 21 ALA H . . 4.270 3.825 3.490 4.274 0.004 13 0 "[ . 1 . 2]" 1
449 1 20 GLN H 1 21 ALA MB . . 5.490 5.085 4.779 5.488 . 0 0 "[ . 1 . 2]" 1
450 1 20 GLN H 1 28 THR MG . . 5.500 4.745 4.400 5.025 . 0 0 "[ . 1 . 2]" 1
451 1 20 GLN HA 1 21 ALA H . . 2.730 2.280 2.138 2.396 . 0 0 "[ . 1 . 2]" 1
452 1 20 GLN HA 1 21 ALA MB . . 4.120 4.054 3.920 4.126 0.006 7 0 "[ . 1 . 2]" 1
453 1 20 GLN HA 1 28 THR MG . . 3.050 2.281 1.942 2.577 . 0 0 "[ . 1 . 2]" 1
454 1 20 GLN HA 1 29 PHE H . . 4.570 3.966 3.367 4.357 . 0 0 "[ . 1 . 2]" 1
455 1 20 GLN QB 1 28 THR MG . . 4.270 3.767 2.626 4.101 . 0 0 "[ . 1 . 2]" 1
456 1 20 GLN HB2 1 21 ALA H . . 4.590 4.515 3.512 4.612 0.022 19 0 "[ . 1 . 2]" 1
457 1 20 GLN HB2 1 28 THR MG . . 4.960 4.252 3.402 4.943 . 0 0 "[ . 1 . 2]" 1
458 1 20 GLN HB3 1 21 ALA H . . 4.590 4.329 4.026 4.512 . 0 0 "[ . 1 . 2]" 1
459 1 20 GLN HB3 1 28 THR MG . . 4.960 4.409 2.732 4.949 . 0 0 "[ . 1 . 2]" 1
460 1 20 GLN QE 1 28 THR MG . . 4.400 3.561 2.136 4.380 . 0 0 "[ . 1 . 2]" 1
461 1 20 GLN HE21 1 28 THR MG . . 5.160 4.011 2.789 5.106 . 0 0 "[ . 1 . 2]" 1
462 1 20 GLN HE22 1 28 THR MG . . 5.160 4.363 2.218 5.160 0.000 13 0 "[ . 1 . 2]" 1
463 1 20 GLN QG 1 28 THR MG . . 4.390 3.309 2.859 4.394 0.004 13 0 "[ . 1 . 2]" 1
464 1 20 GLN HG2 1 21 ALA H . . 5.500 4.762 3.686 5.492 . 0 0 "[ . 1 . 2]" 1
465 1 20 GLN HG2 1 28 THR MG . . 5.130 3.951 2.904 4.926 . 0 0 "[ . 1 . 2]" 1
466 1 20 GLN HG3 1 21 ALA H . . 5.500 4.611 3.686 5.508 0.008 13 0 "[ . 1 . 2]" 1
467 1 20 GLN HG3 1 28 THR MG . . 5.130 4.028 2.955 4.937 . 0 0 "[ . 1 . 2]" 1
468 1 21 ALA H 1 21 ALA MB . . 2.960 2.204 2.030 2.295 . 0 0 "[ . 1 . 2]" 1
469 1 21 ALA H 1 22 ASP H . . 4.710 4.570 4.434 4.630 . 0 0 "[ . 1 . 2]" 1
470 1 21 ALA H 1 28 THR HG1 . . 4.690 3.276 1.897 4.587 . 0 0 "[ . 1 . 2]" 1
471 1 21 ALA H 1 28 THR MG . . 3.220 2.581 2.163 3.037 . 0 0 "[ . 1 . 2]" 1
472 1 21 ALA HA 1 22 ASP H . . 2.880 2.183 2.144 2.244 . 0 0 "[ . 1 . 2]" 1
473 1 21 ALA HA 1 22 ASP QB . . 4.470 4.105 3.964 4.318 . 0 0 "[ . 1 . 2]" 1
474 1 21 ALA HA 1 23 ASN H . . 4.050 3.916 3.352 4.047 . 0 0 "[ . 1 . 2]" 1
475 1 21 ALA HA 1 26 GLU HB2 . . 4.130 3.724 2.911 4.082 . 0 0 "[ . 1 . 2]" 1
476 1 21 ALA HA 1 26 GLU HB3 . . 3.960 3.271 2.781 3.539 . 0 0 "[ . 1 . 2]" 1
477 1 21 ALA HA 1 26 GLU QG . . 5.230 4.376 3.944 4.856 . 0 0 "[ . 1 . 2]" 1
478 1 21 ALA MB 1 22 ASP H . . 3.630 2.977 2.738 3.346 . 0 0 "[ . 1 . 2]" 1
479 1 21 ALA MB 1 22 ASP QB . . 4.770 4.562 4.398 4.766 . 0 0 "[ . 1 . 2]" 1
480 1 21 ALA MB 1 23 ASN H . . 3.510 3.178 2.542 3.501 . 0 0 "[ . 1 . 2]" 1
481 1 21 ALA MB 1 23 ASN QB . . 5.290 4.183 3.761 4.399 . 0 0 "[ . 1 . 2]" 1
482 1 21 ALA MB 1 26 GLU H . . 3.930 3.765 3.419 3.933 0.003 12 0 "[ . 1 . 2]" 1
483 1 21 ALA MB 1 26 GLU HB2 . . 3.250 2.148 1.974 2.429 . 0 0 "[ . 1 . 2]" 1
484 1 21 ALA MB 1 26 GLU HB3 . . 3.070 1.906 1.801 2.060 . 0 0 "[ . 1 . 2]" 1
485 1 21 ALA MB 1 26 GLU HG2 . . 4.740 4.048 3.725 4.378 . 0 0 "[ . 1 . 2]" 1
486 1 21 ALA MB 1 26 GLU QG . . 3.940 3.491 3.329 3.649 . 0 0 "[ . 1 . 2]" 1
487 1 21 ALA MB 1 26 GLU HG3 . . 4.740 3.891 3.496 4.250 . 0 0 "[ . 1 . 2]" 1
488 1 21 ALA MB 1 27 LEU H . . 4.540 3.536 2.751 3.849 . 0 0 "[ . 1 . 2]" 1
489 1 21 ALA MB 1 27 LEU HA . . 4.700 3.627 2.970 3.949 . 0 0 "[ . 1 . 2]" 1
490 1 21 ALA MB 1 28 THR H . . 3.870 3.365 3.095 3.592 . 0 0 "[ . 1 . 2]" 1
491 1 22 ASP H 1 22 ASP QB . . 3.250 2.329 2.200 2.553 . 0 0 "[ . 1 . 2]" 1
492 1 22 ASP H 1 23 ASN H . . 3.100 2.302 2.035 2.582 . 0 0 "[ . 1 . 2]" 1
493 1 22 ASP H 1 26 GLU HB2 . . 4.480 3.669 3.505 3.897 . 0 0 "[ . 1 . 2]" 1
494 1 22 ASP H 1 26 GLU HB3 . . 4.270 4.174 3.934 4.267 . 0 0 "[ . 1 . 2]" 1
495 1 22 ASP QB 1 23 ASN H . . 3.750 2.889 2.547 3.746 . 0 0 "[ . 1 . 2]" 1
496 1 22 ASP QB 1 23 ASN HD21 . . 4.500 3.485 2.322 4.468 . 0 0 "[ . 1 . 2]" 1
497 1 22 ASP QB 1 23 ASN HD22 . . 4.500 3.925 3.279 4.420 . 0 0 "[ . 1 . 2]" 1
498 1 23 ASN H 1 23 ASN HB2 . . 4.200 2.430 2.191 2.928 . 0 0 "[ . 1 . 2]" 1
499 1 23 ASN H 1 23 ASN QB . . 3.590 2.393 2.170 2.852 . 0 0 "[ . 1 . 2]" 1
500 1 23 ASN H 1 23 ASN HB3 . . 4.200 3.617 3.490 3.927 . 0 0 "[ . 1 . 2]" 1
501 1 23 ASN H 1 26 GLU HB2 . . 4.110 2.978 2.599 3.268 . 0 0 "[ . 1 . 2]" 1
502 1 23 ASN H 1 26 GLU HB3 . . 4.980 4.324 4.110 4.571 . 0 0 "[ . 1 . 2]" 1
503 1 23 ASN H 1 26 GLU QG . . 5.180 4.102 3.401 4.796 . 0 0 "[ . 1 . 2]" 1
504 1 23 ASN QB 1 23 ASN QD . . 3.020 2.259 2.066 2.541 . 0 0 "[ . 1 . 2]" 1
505 1 23 ASN QB 1 24 ASP H . . 3.660 2.438 1.948 3.091 . 0 0 "[ . 1 . 2]" 1
506 1 23 ASN QB 1 25 ASP H . . 4.560 2.743 2.354 3.128 . 0 0 "[ . 1 . 2]" 1
507 1 23 ASN QB 1 26 GLU HB2 . . 3.900 2.971 2.615 3.278 . 0 0 "[ . 1 . 2]" 1
508 1 23 ASN QB 1 26 GLU QG . . 3.920 3.204 2.499 3.722 . 0 0 "[ . 1 . 2]" 1
509 1 23 ASN HB2 1 24 ASP H . . 4.320 3.757 3.431 4.232 . 0 0 "[ . 1 . 2]" 1
510 1 23 ASN HB2 1 26 GLU HB2 . . 4.440 3.040 2.638 3.404 . 0 0 "[ . 1 . 2]" 1
511 1 23 ASN HB3 1 24 ASP H . . 4.320 2.473 1.959 3.180 . 0 0 "[ . 1 . 2]" 1
512 1 23 ASN HB3 1 26 GLU HB2 . . 4.440 4.256 3.896 4.442 0.002 13 0 "[ . 1 . 2]" 1
513 1 24 ASP H 1 25 ASP H . . 4.250 2.628 2.285 2.901 . 0 0 "[ . 1 . 2]" 1
514 1 24 ASP HA 1 26 GLU H . . 4.510 4.321 3.988 4.468 . 0 0 "[ . 1 . 2]" 1
515 1 24 ASP QB 1 25 ASP H . . 4.210 2.728 2.217 3.523 . 0 0 "[ . 1 . 2]" 1
516 1 25 ASP H 1 25 ASP QB . . 3.210 2.452 2.128 2.741 . 0 0 "[ . 1 . 2]" 1
517 1 25 ASP H 1 26 GLU H . . 3.040 2.810 2.465 3.025 . 0 0 "[ . 1 . 2]" 1
518 1 25 ASP H 1 26 GLU HB2 . . 5.000 4.829 4.565 4.996 . 0 0 "[ . 1 . 2]" 1
519 1 25 ASP H 1 26 GLU QG . . 5.170 4.959 4.212 5.166 . 0 0 "[ . 1 . 2]" 1
520 1 25 ASP QB 1 26 GLU H . . 3.710 2.743 2.427 3.482 . 0 0 "[ . 1 . 2]" 1
521 1 25 ASP QB 1 26 GLU QG . . 5.060 3.561 3.106 4.372 . 0 0 "[ . 1 . 2]" 1
522 1 25 ASP QB 1 59 VAL MG1 . . 4.040 3.184 2.574 3.986 . 0 0 "[ . 1 . 2]" 1
523 1 25 ASP HB2 1 59 VAL MG1 . . 4.610 3.911 2.602 4.579 . 0 0 "[ . 1 . 2]" 1
524 1 25 ASP HB3 1 59 VAL MG1 . . 4.610 3.680 2.627 4.578 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLU H 1 26 GLU HB2 . . 3.130 2.272 2.184 2.382 . 0 0 "[ . 1 . 2]" 1
526 1 26 GLU H 1 26 GLU HB3 . . 3.720 3.542 3.489 3.606 . 0 0 "[ . 1 . 2]" 1
527 1 26 GLU H 1 26 GLU QG . . 2.930 2.727 2.537 2.929 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLU H 1 27 LEU H . . 5.200 4.558 4.468 4.639 . 0 0 "[ . 1 . 2]" 1
529 1 26 GLU HB2 1 27 LEU H . . 4.350 4.241 3.604 4.352 0.002 18 0 "[ . 1 . 2]" 1
530 1 26 GLU HB3 1 27 LEU H . . 4.710 3.165 2.320 3.393 . 0 0 "[ . 1 . 2]" 1
531 1 26 GLU HB3 1 45 TRP HZ3 . . 5.500 5.022 4.520 5.495 . 0 0 "[ . 1 . 2]" 1
532 1 26 GLU QG 1 27 LEU H . . 4.770 4.048 3.764 4.619 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLU QG 1 45 TRP HZ3 . . 4.430 3.586 2.498 4.253 . 0 0 "[ . 1 . 2]" 1
534 1 26 GLU HG2 1 45 TRP HZ3 . . 5.030 3.897 2.529 5.009 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLU HG2 1 59 VAL MG1 . . 4.150 3.116 2.707 3.713 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLU HG3 1 45 TRP HZ3 . . 5.030 4.567 3.895 4.900 . 0 0 "[ . 1 . 2]" 1
537 1 26 GLU HG3 1 59 VAL MG1 . . 4.150 3.808 2.779 4.152 0.002 20 0 "[ . 1 . 2]" 1
538 1 27 LEU H 1 27 LEU HB2 . . 3.330 2.676 2.566 2.819 . 0 0 "[ . 1 . 2]" 1
539 1 27 LEU H 1 27 LEU HB3 . . 3.300 2.451 2.404 2.580 . 0 0 "[ . 1 . 2]" 1
540 1 27 LEU H 1 27 LEU MD1 . . 4.150 4.144 4.085 4.186 0.036 13 0 "[ . 1 . 2]" 1
541 1 27 LEU H 1 27 LEU MD2 . . 4.450 4.229 4.181 4.344 . 0 0 "[ . 1 . 2]" 1
542 1 27 LEU H 1 27 LEU HG . . 4.770 4.440 4.411 4.506 . 0 0 "[ . 1 . 2]" 1
543 1 27 LEU H 1 28 THR H . . 5.110 4.545 4.500 4.621 . 0 0 "[ . 1 . 2]" 1
544 1 27 LEU H 1 29 PHE QE . . 5.500 4.666 4.340 4.931 . 0 0 "[ . 1 . 2]" 1
545 1 27 LEU H 1 58 GLY HA2 . . 5.250 4.562 4.131 4.900 . 0 0 "[ . 1 . 2]" 1
546 1 27 LEU H 1 58 GLY HA3 . . 4.110 3.155 2.775 3.534 . 0 0 "[ . 1 . 2]" 1
547 1 27 LEU H 1 60 PHE HA . . 4.700 4.081 3.615 4.292 . 0 0 "[ . 1 . 2]" 1
548 1 27 LEU H 1 60 PHE QB . . 4.510 3.696 3.490 3.917 . 0 0 "[ . 1 . 2]" 1
549 1 27 LEU HA 1 27 LEU MD1 . . 3.000 2.017 1.969 2.062 . 0 0 "[ . 1 . 2]" 1
550 1 27 LEU HA 1 27 LEU MD2 . . 4.260 3.913 3.888 3.929 . 0 0 "[ . 1 . 2]" 1
551 1 27 LEU HA 1 27 LEU HG . . 4.140 3.098 3.028 3.164 . 0 0 "[ . 1 . 2]" 1
552 1 27 LEU HA 1 28 THR H . . 2.830 2.182 2.150 2.318 . 0 0 "[ . 1 . 2]" 1
553 1 27 LEU HA 1 28 THR HB . . 5.090 4.718 4.495 4.922 . 0 0 "[ . 1 . 2]" 1
554 1 27 LEU HB2 1 27 LEU MD2 . . 3.400 2.455 2.364 2.527 . 0 0 "[ . 1 . 2]" 1
555 1 27 LEU HB2 1 28 THR H . . 4.490 4.136 3.954 4.224 . 0 0 "[ . 1 . 2]" 1
556 1 27 LEU HB2 1 29 PHE QD . . 4.880 4.655 4.481 4.849 . 0 0 "[ . 1 . 2]" 1
557 1 27 LEU HB2 1 58 GLY H . . 4.380 2.506 2.028 2.789 . 0 0 "[ . 1 . 2]" 1
558 1 27 LEU HB2 1 58 GLY HA2 . . 4.640 3.613 3.466 3.788 . 0 0 "[ . 1 . 2]" 1
559 1 27 LEU HB2 1 58 GLY HA3 . . 4.010 2.191 2.019 2.351 . 0 0 "[ . 1 . 2]" 1
560 1 27 LEU HB2 1 60 PHE QB . . 4.230 4.033 3.694 4.225 . 0 0 "[ . 1 . 2]" 1
561 1 27 LEU HB3 1 27 LEU MD2 . . 3.310 2.208 2.136 2.340 . 0 0 "[ . 1 . 2]" 1
562 1 27 LEU HB3 1 28 THR H . . 4.590 4.095 3.693 4.201 . 0 0 "[ . 1 . 2]" 1
563 1 27 LEU HB3 1 29 PHE QD . . 4.320 3.136 2.932 3.313 . 0 0 "[ . 1 . 2]" 1
564 1 27 LEU HB3 1 29 PHE QE . . 4.830 3.614 3.338 4.024 . 0 0 "[ . 1 . 2]" 1
565 1 27 LEU HB3 1 35 ILE MD . . 4.930 4.112 3.838 4.375 . 0 0 "[ . 1 . 2]" 1
566 1 27 LEU HB3 1 58 GLY H . . 4.460 3.950 3.502 4.324 . 0 0 "[ . 1 . 2]" 1
567 1 27 LEU HB3 1 60 PHE QB . . 3.890 2.675 2.441 2.814 . 0 0 "[ . 1 . 2]" 1
568 1 27 LEU HB3 1 60 PHE QD . . 4.840 3.504 3.130 3.850 . 0 0 "[ . 1 . 2]" 1
569 1 27 LEU MD1 1 28 THR H . . 3.400 2.573 2.229 2.738 . 0 0 "[ . 1 . 2]" 1
570 1 27 LEU MD1 1 29 PHE HB3 . . 4.850 4.409 4.252 4.652 . 0 0 "[ . 1 . 2]" 1
571 1 27 LEU MD1 1 29 PHE QD . . 4.900 4.277 4.143 4.432 . 0 0 "[ . 1 . 2]" 1
572 1 27 LEU MD1 1 35 ILE MD . . 4.900 4.662 4.219 4.896 . 0 0 "[ . 1 . 2]" 1
573 1 27 LEU MD1 1 49 HIS HA . . 4.000 3.428 3.072 3.687 . 0 0 "[ . 1 . 2]" 1
574 1 27 LEU MD1 1 49 HIS HB3 . . 5.500 5.000 4.638 5.207 . 0 0 "[ . 1 . 2]" 1
575 1 27 LEU MD1 1 50 ILE H . . 3.990 3.471 3.278 3.659 . 0 0 "[ . 1 . 2]" 1
576 1 27 LEU MD1 1 50 ILE HB . . 4.570 4.500 4.270 4.575 0.005 12 0 "[ . 1 . 2]" 1
577 1 27 LEU MD1 1 50 ILE HG12 . . 3.990 2.782 2.466 2.971 . 0 0 "[ . 1 . 2]" 1
578 1 27 LEU MD1 1 50 ILE HG13 . . 4.320 3.518 3.203 3.886 . 0 0 "[ . 1 . 2]" 1
579 1 27 LEU MD1 1 56 ARG QB . . 3.270 2.133 1.892 2.298 . 0 0 "[ . 1 . 2]" 1
580 1 27 LEU MD1 1 56 ARG HD3 . . 4.120 4.026 3.838 4.117 . 0 0 "[ . 1 . 2]" 1
581 1 27 LEU MD1 1 56 ARG HE . . 4.130 3.077 2.522 3.630 . 0 0 "[ . 1 . 2]" 1
582 1 27 LEU MD1 1 57 LYS H . . 3.930 3.252 3.135 3.374 . 0 0 "[ . 1 . 2]" 1
583 1 27 LEU MD1 1 57 LYS HA . . 3.500 2.669 2.507 2.780 . 0 0 "[ . 1 . 2]" 1
584 1 27 LEU MD1 1 57 LYS HB2 . . 4.820 4.773 4.596 4.823 0.003 12 0 "[ . 1 . 2]" 1
585 1 27 LEU MD1 1 58 GLY H . . 3.790 2.623 2.361 2.775 . 0 0 "[ . 1 . 2]" 1
586 1 27 LEU MD1 1 58 GLY HA3 . . 4.630 3.253 2.986 3.451 . 0 0 "[ . 1 . 2]" 1
587 1 27 LEU MD2 1 28 THR H . . 4.510 4.350 3.844 4.510 . 0 0 "[ . 1 . 2]" 1
588 1 27 LEU MD2 1 29 PHE HB3 . . 4.460 3.328 3.134 3.462 . 0 0 "[ . 1 . 2]" 1
589 1 27 LEU MD2 1 29 PHE QD . . 3.790 2.934 2.400 3.208 . 0 0 "[ . 1 . 2]" 1
590 1 27 LEU MD2 1 29 PHE QE . . 4.500 4.051 3.706 4.425 . 0 0 "[ . 1 . 2]" 1
591 1 27 LEU MD2 1 35 ILE MD . . 3.100 2.395 1.985 2.770 . 0 0 "[ . 1 . 2]" 1
592 1 27 LEU MD2 1 35 ILE HG12 . . 3.750 2.727 2.281 3.270 . 0 0 "[ . 1 . 2]" 1
593 1 27 LEU MD2 1 35 ILE MG . . 3.710 2.591 2.351 2.912 . 0 0 "[ . 1 . 2]" 1
594 1 27 LEU MD2 1 49 HIS H . . 4.970 4.696 4.230 4.896 . 0 0 "[ . 1 . 2]" 1
595 1 27 LEU MD2 1 49 HIS HA . . 4.260 3.049 2.599 3.294 . 0 0 "[ . 1 . 2]" 1
596 1 27 LEU MD2 1 50 ILE H . . 4.530 3.264 3.051 3.554 . 0 0 "[ . 1 . 2]" 1
597 1 27 LEU MD2 1 56 ARG QB . . 4.290 3.852 3.660 4.078 . 0 0 "[ . 1 . 2]" 1
598 1 27 LEU MD2 1 57 LYS H . . 5.100 4.972 4.787 5.101 0.001 12 0 "[ . 1 . 2]" 1
599 1 27 LEU MD2 1 57 LYS HA . . 4.130 3.217 3.008 3.475 . 0 0 "[ . 1 . 2]" 1
600 1 27 LEU MD2 1 58 GLY H . . 4.180 2.601 2.309 2.842 . 0 0 "[ . 1 . 2]" 1
601 1 27 LEU MD2 1 58 GLY HA3 . . 4.630 4.064 3.746 4.243 . 0 0 "[ . 1 . 2]" 1
602 1 27 LEU MD2 1 60 PHE QB . . 3.930 3.175 2.739 3.422 . 0 0 "[ . 1 . 2]" 1
603 1 27 LEU MD2 1 60 PHE QD . . 4.070 2.981 2.739 3.326 . 0 0 "[ . 1 . 2]" 1
604 1 27 LEU HG 1 28 THR H . . 4.050 2.854 2.165 3.082 . 0 0 "[ . 1 . 2]" 1
605 1 27 LEU HG 1 29 PHE HB2 . . 5.290 5.061 4.911 5.300 0.010 13 0 "[ . 1 . 2]" 1
606 1 27 LEU HG 1 29 PHE HB3 . . 4.500 3.309 3.160 3.552 . 0 0 "[ . 1 . 2]" 1
607 1 27 LEU HG 1 29 PHE QD . . 3.380 2.697 2.537 2.898 . 0 0 "[ . 1 . 2]" 1
608 1 27 LEU HG 1 29 PHE QE . . 4.900 4.625 4.423 4.903 0.003 12 0 "[ . 1 . 2]" 1
609 1 27 LEU HG 1 58 GLY H . . 4.840 4.673 4.473 4.835 . 0 0 "[ . 1 . 2]" 1
610 1 28 THR H 1 28 THR HB . . 3.100 2.610 2.465 2.780 . 0 0 "[ . 1 . 2]" 1
611 1 28 THR H 1 28 THR MG . . 4.410 3.813 3.777 3.848 . 0 0 "[ . 1 . 2]" 1
612 1 28 THR H 1 29 PHE H . . 4.670 4.396 4.216 4.459 . 0 0 "[ . 1 . 2]" 1
613 1 28 THR HB 1 29 PHE H . . 4.360 4.222 4.070 4.372 0.012 13 0 "[ . 1 . 2]" 1
614 1 28 THR MG 1 29 PHE H . . 3.310 2.773 2.548 3.015 . 0 0 "[ . 1 . 2]" 1
615 1 29 PHE H 1 29 PHE QD . . 4.220 3.041 2.767 3.226 . 0 0 "[ . 1 . 2]" 1
616 1 29 PHE H 1 30 ILE H . . 5.080 4.398 4.375 4.418 . 0 0 "[ . 1 . 2]" 1
617 1 29 PHE HB2 1 30 ILE H . . 3.250 2.109 1.956 2.327 . 0 0 "[ . 1 . 2]" 1
618 1 29 PHE HB2 1 30 ILE HG12 . . 4.910 4.722 4.532 4.903 . 0 0 "[ . 1 . 2]" 1
619 1 29 PHE HB2 1 30 ILE MG . . 4.760 4.532 4.439 4.638 . 0 0 "[ . 1 . 2]" 1
620 1 29 PHE HB2 1 33 GLU HB2 . . 4.500 2.821 2.641 3.021 . 0 0 "[ . 1 . 2]" 1
621 1 29 PHE HB2 1 33 GLU HB3 . . 4.990 3.557 3.321 3.901 . 0 0 "[ . 1 . 2]" 1
622 1 29 PHE HB2 1 33 GLU HG2 . . 5.100 4.303 4.008 4.806 . 0 0 "[ . 1 . 2]" 1
623 1 29 PHE HB2 1 33 GLU HG3 . . 4.910 3.104 2.681 3.422 . 0 0 "[ . 1 . 2]" 1
624 1 29 PHE HB2 1 50 ILE MD . . 3.810 3.226 3.041 3.414 . 0 0 "[ . 1 . 2]" 1
625 1 29 PHE HB2 1 50 ILE MG . . 5.500 5.291 4.827 5.501 0.001 14 0 "[ . 1 . 2]" 1
626 1 29 PHE HB3 1 30 ILE H . . 3.680 3.554 3.445 3.668 . 0 0 "[ . 1 . 2]" 1
627 1 29 PHE HB3 1 33 GLU HB2 . . 4.870 4.242 4.012 4.455 . 0 0 "[ . 1 . 2]" 1
628 1 29 PHE HB3 1 33 GLU HG3 . . 5.300 4.337 3.957 4.877 . 0 0 "[ . 1 . 2]" 1
629 1 29 PHE HB3 1 50 ILE MD . . 3.560 2.478 2.148 2.769 . 0 0 "[ . 1 . 2]" 1
630 1 29 PHE QD 1 30 ILE H . . 4.220 2.986 2.715 3.276 . 0 0 "[ . 1 . 2]" 1
631 1 29 PHE QD 1 30 ILE HA . . 4.860 3.277 3.027 3.581 . 0 0 "[ . 1 . 2]" 1
632 1 29 PHE QD 1 30 ILE MG . . 5.290 4.525 4.333 4.720 . 0 0 "[ . 1 . 2]" 1
633 1 29 PHE QD 1 33 GLU H . . 5.430 5.142 4.705 5.384 . 0 0 "[ . 1 . 2]" 1
634 1 29 PHE QD 1 35 ILE MD . . 4.100 3.053 2.693 3.334 . 0 0 "[ . 1 . 2]" 1
635 1 29 PHE QD 1 50 ILE MD . . 4.250 3.836 3.447 4.131 . 0 0 "[ . 1 . 2]" 1
636 1 29 PHE QE 1 35 ILE MD . . 4.430 3.540 3.217 3.842 . 0 0 "[ . 1 . 2]" 1
637 1 29 PHE QE 1 60 PHE HA . . 5.110 3.561 3.164 3.905 . 0 0 "[ . 1 . 2]" 1
638 1 29 PHE QE 1 60 PHE QB . . 3.550 2.061 1.833 2.244 . 0 0 "[ . 1 . 2]" 1
639 1 29 PHE QE 1 61 PRO HD2 . . 4.250 2.850 2.301 3.254 . 0 0 "[ . 1 . 2]" 1
640 1 29 PHE QE 1 61 PRO HD3 . . 4.690 4.256 3.762 4.660 . 0 0 "[ . 1 . 2]" 1
641 1 29 PHE QE 1 64 PHE HB2 . . 4.670 3.953 3.716 4.212 . 0 0 "[ . 1 . 2]" 1
642 1 29 PHE QE 1 64 PHE HB3 . . 4.240 2.905 2.663 3.208 . 0 0 "[ . 1 . 2]" 1
643 1 29 PHE HZ 1 35 ILE MD . . 5.110 4.404 3.998 4.812 . 0 0 "[ . 1 . 2]" 1
644 1 29 PHE HZ 1 60 PHE QB . . 3.800 3.117 2.872 3.406 . 0 0 "[ . 1 . 2]" 1
645 1 29 PHE HZ 1 61 PRO HD2 . . 3.840 2.866 2.565 3.153 . 0 0 "[ . 1 . 2]" 1
646 1 29 PHE HZ 1 61 PRO HD3 . . 4.730 4.481 4.150 4.733 0.003 6 0 "[ . 1 . 2]" 1
647 1 29 PHE HZ 1 61 PRO HG2 . . 4.460 3.137 2.775 3.392 . 0 0 "[ . 1 . 2]" 1
648 1 29 PHE HZ 1 64 PHE HB2 . . 3.840 3.013 2.627 3.393 . 0 0 "[ . 1 . 2]" 1
649 1 29 PHE HZ 1 64 PHE HB3 . . 3.800 2.952 2.525 3.567 . 0 0 "[ . 1 . 2]" 1
650 1 29 PHE HZ 1 64 PHE QD . . 3.740 3.344 2.581 3.723 . 0 0 "[ . 1 . 2]" 1
651 1 29 PHE HZ 1 65 VAL MG1 . . 4.130 3.570 3.331 3.745 . 0 0 "[ . 1 . 2]" 1
652 1 30 ILE H 1 30 ILE MD . . 4.220 4.072 3.964 4.133 . 0 0 "[ . 1 . 2]" 1
653 1 30 ILE H 1 30 ILE HG12 . . 3.420 2.769 2.575 2.899 . 0 0 "[ . 1 . 2]" 1
654 1 30 ILE H 1 30 ILE HG13 . . 3.710 2.653 2.551 2.771 . 0 0 "[ . 1 . 2]" 1
655 1 30 ILE H 1 30 ILE MG . . 3.520 3.060 2.912 3.168 . 0 0 "[ . 1 . 2]" 1
656 1 30 ILE H 1 31 GLU H . . 5.080 4.410 4.370 4.458 . 0 0 "[ . 1 . 2]" 1
657 1 30 ILE H 1 33 GLU H . . 5.280 4.872 4.500 5.189 . 0 0 "[ . 1 . 2]" 1
658 1 30 ILE H 1 33 GLU HB2 . . 4.910 3.057 2.792 3.274 . 0 0 "[ . 1 . 2]" 1
659 1 30 ILE H 1 33 GLU HG2 . . 3.850 3.158 2.723 3.728 . 0 0 "[ . 1 . 2]" 1
660 1 30 ILE H 1 33 GLU HG3 . . 4.090 2.172 1.939 2.589 . 0 0 "[ . 1 . 2]" 1
661 1 30 ILE H 1 50 ILE MD . . 4.600 4.417 4.132 4.596 . 0 0 "[ . 1 . 2]" 1
662 1 30 ILE HA 1 30 ILE MD . . 4.250 4.126 4.104 4.146 . 0 0 "[ . 1 . 2]" 1
663 1 30 ILE HA 1 30 ILE MG . . 3.060 2.334 2.288 2.399 . 0 0 "[ . 1 . 2]" 1
664 1 30 ILE HA 1 31 GLU H . . 3.130 2.340 2.290 2.434 . 0 0 "[ . 1 . 2]" 1
665 1 30 ILE HB 1 30 ILE MD . . 3.040 2.235 2.101 2.321 . 0 0 "[ . 1 . 2]" 1
666 1 30 ILE HB 1 31 GLU H . . 3.070 2.538 2.312 2.671 . 0 0 "[ . 1 . 2]" 1
667 1 30 ILE MD 1 31 GLU H . . 4.330 4.037 3.852 4.219 . 0 0 "[ . 1 . 2]" 1
668 1 30 ILE MD 1 31 GLU HA . . 5.430 5.338 5.219 5.429 . 0 0 "[ . 1 . 2]" 1
669 1 30 ILE MD 1 33 GLU HG2 . . 3.880 3.474 3.328 3.757 . 0 0 "[ . 1 . 2]" 1
670 1 30 ILE MD 1 33 GLU HG3 . . 4.220 3.862 3.507 4.140 . 0 0 "[ . 1 . 2]" 1
671 1 30 ILE HG12 1 30 ILE MG . . 3.130 2.230 2.180 2.275 . 0 0 "[ . 1 . 2]" 1
672 1 30 ILE HG12 1 33 GLU HB2 . . 5.500 4.968 4.788 5.237 . 0 0 "[ . 1 . 2]" 1
673 1 30 ILE HG12 1 33 GLU HG2 . . 4.000 3.428 3.003 3.707 . 0 0 "[ . 1 . 2]" 1
674 1 30 ILE HG12 1 33 GLU HG3 . . 4.290 2.950 2.677 3.232 . 0 0 "[ . 1 . 2]" 1
675 1 30 ILE HG13 1 31 GLU H . . 4.430 3.907 3.656 4.055 . 0 0 "[ . 1 . 2]" 1
676 1 30 ILE HG13 1 32 GLY H . . 5.500 5.011 4.640 5.221 . 0 0 "[ . 1 . 2]" 1
677 1 30 ILE HG13 1 32 GLY HA3 . . 4.950 4.818 4.483 4.952 0.002 12 0 "[ . 1 . 2]" 1
678 1 30 ILE HG13 1 33 GLU HB2 . . 4.730 4.062 3.899 4.330 . 0 0 "[ . 1 . 2]" 1
679 1 30 ILE HG13 1 33 GLU HG2 . . 3.650 2.309 2.003 3.114 . 0 0 "[ . 1 . 2]" 1
680 1 30 ILE HG13 1 33 GLU HG3 . . 4.020 2.588 2.020 3.052 . 0 0 "[ . 1 . 2]" 1
681 1 30 ILE MG 1 31 GLU H . . 3.710 3.678 3.588 3.710 0.000 12 0 "[ . 1 . 2]" 1
682 1 30 ILE MG 1 33 GLU HG2 . . 5.500 4.819 4.478 5.260 . 0 0 "[ . 1 . 2]" 1
683 1 30 ILE MG 1 33 GLU HG3 . . 4.910 4.250 4.011 4.471 . 0 0 "[ . 1 . 2]" 1
684 1 31 GLU H 1 31 GLU HB2 . . 3.260 2.438 2.311 2.522 . 0 0 "[ . 1 . 2]" 1
685 1 31 GLU H 1 31 GLU HB3 . . 3.230 2.629 2.523 2.790 . 0 0 "[ . 1 . 2]" 1
686 1 31 GLU H 1 31 GLU HG2 . . 4.560 4.450 4.419 4.488 . 0 0 "[ . 1 . 2]" 1
687 1 31 GLU H 1 31 GLU HG3 . . 4.680 4.427 4.291 4.499 . 0 0 "[ . 1 . 2]" 1
688 1 31 GLU H 1 32 GLY H . . 4.730 4.492 4.408 4.559 . 0 0 "[ . 1 . 2]" 1
689 1 31 GLU HA 1 31 GLU HG2 . . 3.890 2.789 2.600 2.908 . 0 0 "[ . 1 . 2]" 1
690 1 31 GLU HA 1 31 GLU HG3 . . 3.810 2.816 2.694 2.874 . 0 0 "[ . 1 . 2]" 1
691 1 31 GLU HA 1 32 GLY H . . 2.760 2.147 2.143 2.160 . 0 0 "[ . 1 . 2]" 1
692 1 31 GLU HA 1 32 GLY HA3 . . 4.440 4.398 4.389 4.414 . 0 0 "[ . 1 . 2]" 1
693 1 31 GLU HA 1 33 GLU H . . 4.120 3.809 3.483 4.031 . 0 0 "[ . 1 . 2]" 1
694 1 31 GLU HB2 1 32 GLY H . . 4.400 4.324 4.221 4.401 0.001 9 0 "[ . 1 . 2]" 1
695 1 31 GLU HB3 1 32 GLY H . . 5.400 4.253 4.107 4.375 . 0 0 "[ . 1 . 2]" 1
696 1 31 GLU HG2 1 32 GLY H . . 3.680 2.925 2.697 3.192 . 0 0 "[ . 1 . 2]" 1
697 1 31 GLU HG2 1 32 GLY HA2 . . 4.710 3.782 3.658 3.962 . 0 0 "[ . 1 . 2]" 1
698 1 31 GLU HG2 1 32 GLY HA3 . . 4.630 3.746 3.513 4.014 . 0 0 "[ . 1 . 2]" 1
699 1 31 GLU HG3 1 32 GLY H . . 4.150 3.785 3.401 4.052 . 0 0 "[ . 1 . 2]" 1
700 1 32 GLY H 1 33 GLU H . . 3.350 2.181 1.896 2.329 . 0 0 "[ . 1 . 2]" 1
701 1 32 GLY HA2 1 33 GLU H . . 3.530 2.883 2.750 3.113 . 0 0 "[ . 1 . 2]" 1
702 1 33 GLU H 1 33 GLU HB2 . . 3.270 2.601 2.469 2.739 . 0 0 "[ . 1 . 2]" 1
703 1 33 GLU H 1 33 GLU HB3 . . 3.950 3.747 3.675 3.834 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLU H 1 33 GLU HG2 . . 3.600 3.286 2.961 3.598 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLU H 1 33 GLU HG3 . . 4.610 4.203 3.055 4.533 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLU H 1 34 VAL H . . 4.790 4.455 4.387 4.527 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLU H 1 34 VAL MG2 . . 4.810 4.616 4.504 4.808 . 0 0 "[ . 1 . 2]" 1
708 1 33 GLU HA 1 33 GLU HG2 . . 3.950 2.823 2.326 3.170 . 0 0 "[ . 1 . 2]" 1
709 1 33 GLU HA 1 33 GLU HG3 . . 3.760 3.676 3.365 3.762 0.002 6 0 "[ . 1 . 2]" 1
710 1 33 GLU HA 1 34 VAL H . . 2.900 2.333 2.220 2.492 . 0 0 "[ . 1 . 2]" 1
711 1 33 GLU HA 1 34 VAL HB . . 4.710 4.635 4.585 4.703 . 0 0 "[ . 1 . 2]" 1
712 1 33 GLU HA 1 34 VAL MG2 . . 4.040 3.484 3.315 3.664 . 0 0 "[ . 1 . 2]" 1
713 1 33 GLU HA 1 50 ILE MD . . 5.010 4.753 4.296 4.982 . 0 0 "[ . 1 . 2]" 1
714 1 33 GLU HB2 1 34 VAL H . . 4.110 3.843 3.510 4.103 . 0 0 "[ . 1 . 2]" 1
715 1 33 GLU HB2 1 35 ILE MD . . 5.330 4.336 4.027 4.537 . 0 0 "[ . 1 . 2]" 1
716 1 33 GLU HB2 1 35 ILE HG13 . . 4.870 4.342 4.196 4.536 . 0 0 "[ . 1 . 2]" 1
717 1 33 GLU HB2 1 50 ILE MD . . 3.990 3.770 3.400 3.967 . 0 0 "[ . 1 . 2]" 1
718 1 33 GLU HB2 1 50 ILE MG . . 5.500 4.945 4.403 5.326 . 0 0 "[ . 1 . 2]" 1
719 1 33 GLU HB3 1 34 VAL H . . 3.760 2.616 2.229 2.954 . 0 0 "[ . 1 . 2]" 1
720 1 33 GLU HB3 1 34 VAL MG2 . . 5.500 4.738 4.541 4.958 . 0 0 "[ . 1 . 2]" 1
721 1 33 GLU HB3 1 35 ILE HG13 . . 5.500 4.048 3.700 4.458 . 0 0 "[ . 1 . 2]" 1
722 1 33 GLU HB3 1 50 ILE MD . . 3.250 2.777 2.487 3.012 . 0 0 "[ . 1 . 2]" 1
723 1 33 GLU HB3 1 50 ILE MG . . 4.180 3.520 2.970 3.879 . 0 0 "[ . 1 . 2]" 1
724 1 33 GLU HG2 1 34 VAL H . . 5.050 4.679 4.014 5.007 . 0 0 "[ . 1 . 2]" 1
725 1 33 GLU HG3 1 34 VAL H . . 5.040 4.869 4.612 5.035 . 0 0 "[ . 1 . 2]" 1
726 1 33 GLU HG3 1 50 ILE MD . . 4.520 3.837 3.313 4.520 0.000 2 0 "[ . 1 . 2]" 1
727 1 34 VAL H 1 34 VAL HB . . 2.880 2.600 2.523 2.739 . 0 0 "[ . 1 . 2]" 1
728 1 34 VAL H 1 34 VAL MG1 . . 4.140 3.834 3.801 3.880 . 0 0 "[ . 1 . 2]" 1
729 1 34 VAL H 1 34 VAL MG2 . . 3.180 2.718 2.576 2.975 . 0 0 "[ . 1 . 2]" 1
730 1 34 VAL H 1 35 ILE H . . 4.610 4.433 4.164 4.545 . 0 0 "[ . 1 . 2]" 1
731 1 34 VAL H 1 50 ILE MD . . 4.320 3.787 3.534 4.308 . 0 0 "[ . 1 . 2]" 1
732 1 34 VAL H 1 50 ILE MG . . 4.180 3.672 3.148 3.981 . 0 0 "[ . 1 . 2]" 1
733 1 34 VAL H 1 51 GLU H . . 4.960 4.467 4.006 4.813 . 0 0 "[ . 1 . 2]" 1
734 1 34 VAL HB 1 35 ILE H . . 4.470 4.077 3.859 4.299 . 0 0 "[ . 1 . 2]" 1
735 1 34 VAL HB 1 51 GLU H . . 4.590 3.691 3.314 3.996 . 0 0 "[ . 1 . 2]" 1
736 1 34 VAL MG1 1 35 ILE H . . 3.160 2.310 1.873 2.779 . 0 0 "[ . 1 . 2]" 1
737 1 34 VAL MG1 1 35 ILE HA . . 4.230 3.624 3.364 3.884 . 0 0 "[ . 1 . 2]" 1
738 1 34 VAL MG1 1 51 GLU H . . 4.280 3.614 3.282 3.993 . 0 0 "[ . 1 . 2]" 1
739 1 34 VAL MG1 1 51 GLU HB2 . . 3.550 2.474 2.045 2.811 . 0 0 "[ . 1 . 2]" 1
740 1 34 VAL MG1 1 51 GLU HB3 . . 4.160 3.587 2.973 3.894 . 0 0 "[ . 1 . 2]" 1
741 1 34 VAL MG1 1 51 GLU HG2 . . 5.190 4.282 3.670 5.033 . 0 0 "[ . 1 . 2]" 1
742 1 34 VAL MG1 1 51 GLU QG . . 4.330 3.279 2.478 3.990 . 0 0 "[ . 1 . 2]" 1
743 1 34 VAL MG1 1 51 GLU HG3 . . 5.190 3.413 2.520 4.184 . 0 0 "[ . 1 . 2]" 1
744 1 34 VAL MG2 1 35 ILE H . . 4.240 3.963 3.807 4.101 . 0 0 "[ . 1 . 2]" 1
745 1 35 ILE H 1 35 ILE HB . . 3.180 2.690 2.509 2.858 . 0 0 "[ . 1 . 2]" 1
746 1 35 ILE H 1 35 ILE MD . . 4.330 3.923 3.547 4.281 . 0 0 "[ . 1 . 2]" 1
747 1 35 ILE H 1 35 ILE HG12 . . 4.360 4.019 3.696 4.216 . 0 0 "[ . 1 . 2]" 1
748 1 35 ILE H 1 35 ILE HG13 . . 4.050 2.803 2.486 3.023 . 0 0 "[ . 1 . 2]" 1
749 1 35 ILE H 1 35 ILE MG . . 4.310 3.870 3.785 3.935 . 0 0 "[ . 1 . 2]" 1
750 1 35 ILE HA 1 35 ILE MD . . 4.060 3.868 3.812 3.896 . 0 0 "[ . 1 . 2]" 1
751 1 35 ILE HA 1 35 ILE HG12 . . 3.720 2.640 2.531 2.720 . 0 0 "[ . 1 . 2]" 1
752 1 35 ILE HA 1 35 ILE HG13 . . 3.670 2.944 2.745 3.230 . 0 0 "[ . 1 . 2]" 1
753 1 35 ILE HA 1 35 ILE MG . . 3.140 2.319 2.204 2.415 . 0 0 "[ . 1 . 2]" 1
754 1 35 ILE HA 1 36 ILE H . . 2.930 2.193 2.140 2.294 . 0 0 "[ . 1 . 2]" 1
755 1 35 ILE HB 1 35 ILE MD . . 3.420 2.296 2.163 2.424 . 0 0 "[ . 1 . 2]" 1
756 1 35 ILE HB 1 37 VAL MG2 . . 4.590 3.832 3.587 4.089 . 0 0 "[ . 1 . 2]" 1
757 1 35 ILE HB 1 60 PHE QE . . 4.900 3.550 3.174 3.870 . 0 0 "[ . 1 . 2]" 1
758 1 35 ILE HB 1 60 PHE HZ . . 4.200 3.281 2.850 3.626 . 0 0 "[ . 1 . 2]" 1
759 1 35 ILE MD 1 35 ILE MG . . 2.880 2.138 1.930 2.349 . 0 0 "[ . 1 . 2]" 1
760 1 35 ILE MD 1 50 ILE MD . . 3.660 3.045 2.571 3.412 . 0 0 "[ . 1 . 2]" 1
761 1 35 ILE MD 1 60 PHE QB . . 4.230 3.174 2.761 3.601 . 0 0 "[ . 1 . 2]" 1
762 1 35 ILE MD 1 60 PHE QD . . 4.550 2.967 2.555 3.424 . 0 0 "[ . 1 . 2]" 1
763 1 35 ILE MD 1 60 PHE HZ . . 5.500 3.519 3.259 3.901 . 0 0 "[ . 1 . 2]" 1
764 1 35 ILE MD 1 65 VAL MG1 . . 3.400 2.338 2.039 2.677 . 0 0 "[ . 1 . 2]" 1
765 1 35 ILE HG12 1 50 ILE MD . . 3.240 2.063 1.942 2.338 . 0 0 "[ . 1 . 2]" 1
766 1 35 ILE HG13 1 50 ILE MD . . 3.670 3.026 2.549 3.489 . 0 0 "[ . 1 . 2]" 1
767 1 35 ILE MG 1 36 ILE H . . 3.210 2.241 1.914 2.745 . 0 0 "[ . 1 . 2]" 1
768 1 35 ILE MG 1 36 ILE HA . . 4.920 3.882 3.664 4.087 . 0 0 "[ . 1 . 2]" 1
769 1 35 ILE MG 1 37 VAL H . . 4.470 3.811 3.481 4.026 . 0 0 "[ . 1 . 2]" 1
770 1 35 ILE MG 1 37 VAL HA . . 4.210 3.571 3.379 3.728 . 0 0 "[ . 1 . 2]" 1
771 1 35 ILE MG 1 37 VAL HB . . 5.500 5.313 4.813 5.501 0.001 3 0 "[ . 1 . 2]" 1
772 1 35 ILE MG 1 37 VAL MG2 . . 3.410 3.102 2.617 3.387 . 0 0 "[ . 1 . 2]" 1
773 1 35 ILE MG 1 38 THR H . . 5.080 4.877 4.698 4.991 . 0 0 "[ . 1 . 2]" 1
774 1 35 ILE MG 1 48 GLY H . . 4.470 3.475 3.058 3.831 . 0 0 "[ . 1 . 2]" 1
775 1 35 ILE MG 1 48 GLY HA3 . . 3.360 2.276 1.999 2.551 . 0 0 "[ . 1 . 2]" 1
776 1 35 ILE MG 1 49 HIS H . . 3.330 3.067 2.607 3.330 . 10 0 "[ . 1 . 2]" 1
777 1 35 ILE MG 1 49 HIS HA . . 4.810 3.661 3.155 3.949 . 0 0 "[ . 1 . 2]" 1
778 1 35 ILE MG 1 60 PHE QE . . 4.010 2.327 2.089 2.509 . 0 0 "[ . 1 . 2]" 1
779 1 35 ILE MG 1 60 PHE HZ . . 3.400 2.319 2.014 2.837 . 0 0 "[ . 1 . 2]" 1
780 1 36 ILE H 1 36 ILE HB . . 3.240 2.504 2.367 2.659 . 0 0 "[ . 1 . 2]" 1
781 1 36 ILE H 1 36 ILE MD . . 4.720 3.429 1.987 3.916 . 0 0 "[ . 1 . 2]" 1
782 1 36 ILE H 1 36 ILE HG12 . . 4.030 2.701 2.308 3.656 . 0 0 "[ . 1 . 2]" 1
783 1 36 ILE H 1 36 ILE QG . . 3.440 2.644 2.285 3.397 . 0 0 "[ . 1 . 2]" 1
784 1 36 ILE H 1 36 ILE HG13 . . 4.030 3.942 3.665 4.033 0.003 15 0 "[ . 1 . 2]" 1
785 1 36 ILE H 1 36 ILE MG . . 4.040 3.787 3.723 3.860 . 0 0 "[ . 1 . 2]" 1
786 1 36 ILE H 1 37 VAL H . . 4.930 4.199 4.001 4.323 . 0 0 "[ . 1 . 2]" 1
787 1 36 ILE H 1 49 HIS H . . 3.720 2.842 2.418 3.374 . 0 0 "[ . 1 . 2]" 1
788 1 36 ILE H 1 50 ILE MD . . 5.020 4.669 4.359 5.015 . 0 0 "[ . 1 . 2]" 1
789 1 36 ILE HA 1 36 ILE MD . . 3.180 2.012 1.936 2.125 . 0 0 "[ . 1 . 2]" 1
790 1 36 ILE HA 1 36 ILE QG . . 3.740 2.873 2.631 3.007 . 0 0 "[ . 1 . 2]" 1
791 1 36 ILE HA 1 36 ILE MG . . 3.140 2.418 2.329 2.488 . 0 0 "[ . 1 . 2]" 1
792 1 36 ILE HA 1 37 VAL H . . 2.690 2.178 2.151 2.208 . 0 0 "[ . 1 . 2]" 1
793 1 36 ILE HA 1 49 HIS H . . 5.420 4.706 4.334 5.259 . 0 0 "[ . 1 . 2]" 1
794 1 36 ILE HB 1 49 HIS H . . 3.820 2.733 2.531 3.220 . 0 0 "[ . 1 . 2]" 1
795 1 36 ILE HB 1 49 HIS HE1 . . 4.580 2.846 2.550 3.183 . 0 0 "[ . 1 . 2]" 1
796 1 36 ILE MD 1 37 VAL H . . 4.200 3.744 3.463 3.989 . 0 0 "[ . 1 . 2]" 1
797 1 36 ILE MD 1 49 HIS HE1 . . 4.950 4.058 3.707 4.808 . 0 0 "[ . 1 . 2]" 1
798 1 36 ILE MD 1 51 GLU H . . 4.700 4.194 2.302 4.700 . 0 0 "[ . 1 . 2]" 1
799 1 36 ILE MD 1 51 GLU HA . . 4.200 3.774 2.191 4.142 . 0 0 "[ . 1 . 2]" 1
800 1 36 ILE MD 1 51 GLU HB2 . . 3.420 3.190 2.003 3.421 0.001 6 0 "[ . 1 . 2]" 1
801 1 36 ILE MD 1 51 GLU QG . . 3.260 2.999 2.221 3.261 0.001 16 0 "[ . 1 . 2]" 1
802 1 36 ILE QG 1 36 ILE MG . . 3.080 2.289 2.107 2.440 . 0 0 "[ . 1 . 2]" 1
803 1 36 ILE QG 1 49 HIS HE1 . . 3.790 2.443 2.023 3.207 . 0 0 "[ . 1 . 2]" 1
804 1 36 ILE QG 1 51 GLU HA . . 3.600 2.794 2.565 2.984 . 0 0 "[ . 1 . 2]" 1
805 1 36 ILE QG 1 51 GLU HB2 . . 3.960 3.129 2.779 3.886 . 0 0 "[ . 1 . 2]" 1
806 1 36 ILE QG 1 51 GLU QG . . 3.780 3.171 2.816 3.464 . 0 0 "[ . 1 . 2]" 1
807 1 36 ILE HG12 1 51 GLU HA . . 4.160 3.019 2.642 3.452 . 0 0 "[ . 1 . 2]" 1
808 1 36 ILE HG13 1 51 GLU HA . . 4.160 3.399 2.944 4.159 . 0 0 "[ . 1 . 2]" 1
809 1 36 ILE MG 1 37 VAL H . . 3.470 3.196 3.057 3.334 . 0 0 "[ . 1 . 2]" 1
810 1 36 ILE MG 1 38 THR MG . . 3.370 2.080 1.890 2.566 . 0 0 "[ . 1 . 2]" 1
811 1 36 ILE MG 1 48 GLY HA3 . . 4.510 4.474 4.233 4.519 0.009 12 0 "[ . 1 . 2]" 1
812 1 36 ILE MG 1 49 HIS H . . 4.610 3.834 3.360 4.106 . 0 0 "[ . 1 . 2]" 1
813 1 36 ILE MG 1 49 HIS HD2 . . 5.170 4.559 3.674 4.999 . 0 0 "[ . 1 . 2]" 1
814 1 36 ILE MG 1 49 HIS HE1 . . 4.110 2.810 2.358 3.325 . 0 0 "[ . 1 . 2]" 1
815 1 37 VAL H 1 37 VAL HB . . 3.120 2.572 2.444 2.692 . 0 0 "[ . 1 . 2]" 1
816 1 37 VAL H 1 37 VAL MG1 . . 3.940 3.764 3.755 3.772 . 0 0 "[ . 1 . 2]" 1
817 1 37 VAL H 1 37 VAL MG2 . . 3.080 2.064 1.880 2.328 . 0 0 "[ . 1 . 2]" 1
818 1 37 VAL H 1 38 THR H . . 4.720 4.428 4.294 4.539 . 0 0 "[ . 1 . 2]" 1
819 1 37 VAL HA 1 37 VAL MG1 . . 3.230 2.315 2.215 2.420 . 0 0 "[ . 1 . 2]" 1
820 1 37 VAL HA 1 37 VAL MG2 . . 3.170 2.445 2.387 2.514 . 0 0 "[ . 1 . 2]" 1
821 1 37 VAL HA 1 38 THR H . . 2.930 2.147 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
822 1 37 VAL HA 1 38 THR MG . . 4.020 3.867 3.769 4.018 . 0 0 "[ . 1 . 2]" 1
823 1 37 VAL HA 1 39 GLY H . . 4.080 3.781 3.390 4.066 . 0 0 "[ . 1 . 2]" 1
824 1 37 VAL HA 1 47 ILE H . . 4.820 4.087 3.754 4.336 . 0 0 "[ . 1 . 2]" 1
825 1 37 VAL HA 1 47 ILE MG . . 5.500 5.021 4.768 5.344 . 0 0 "[ . 1 . 2]" 1
826 1 37 VAL HA 1 48 GLY H . . 4.650 4.443 4.278 4.616 . 0 0 "[ . 1 . 2]" 1
827 1 37 VAL HA 1 48 GLY HA3 . . 3.680 2.627 2.337 2.839 . 0 0 "[ . 1 . 2]" 1
828 1 37 VAL HA 1 49 HIS H . . 5.440 4.647 4.127 4.979 . 0 0 "[ . 1 . 2]" 1
829 1 37 VAL HB 1 38 THR H . . 4.890 4.296 4.118 4.448 . 0 0 "[ . 1 . 2]" 1
830 1 37 VAL MG1 1 38 THR H . . 3.560 2.772 2.420 3.060 . 0 0 "[ . 1 . 2]" 1
831 1 37 VAL MG1 1 39 GLY H . . 3.310 3.206 2.556 3.316 0.006 12 0 "[ . 1 . 2]" 1
832 1 37 VAL MG1 1 39 GLY HA2 . . 4.630 4.388 3.918 4.627 . 0 0 "[ . 1 . 2]" 1
833 1 37 VAL MG1 1 39 GLY HA3 . . 5.020 4.868 4.439 4.972 . 0 0 "[ . 1 . 2]" 1
834 1 37 VAL MG1 1 40 GLU H . . 3.810 3.132 2.399 3.823 0.013 6 0 "[ . 1 . 2]" 1
835 1 37 VAL MG1 1 40 GLU HA . . 4.060 3.142 2.749 3.499 . 0 0 "[ . 1 . 2]" 1
836 1 37 VAL MG1 1 40 GLU QB . . 4.910 2.845 1.843 3.802 . 0 0 "[ . 1 . 2]" 1
837 1 37 VAL MG1 1 40 GLU QG . . 4.070 2.948 1.746 4.072 0.002 17 0 "[ . 1 . 2]" 1
838 1 37 VAL MG1 1 46 TRP HA . . 5.120 3.856 3.632 4.152 . 0 0 "[ . 1 . 2]" 1
839 1 37 VAL MG1 1 46 TRP HB2 . . 3.790 3.498 3.302 3.764 . 0 0 "[ . 1 . 2]" 1
840 1 37 VAL MG1 1 46 TRP HB3 . . 3.410 2.150 1.983 2.324 . 0 0 "[ . 1 . 2]" 1
841 1 37 VAL MG1 1 46 TRP HE3 . . 3.470 3.230 2.900 3.471 0.001 16 0 "[ . 1 . 2]" 1
842 1 37 VAL MG1 1 47 ILE H . . 4.020 2.878 2.538 3.098 . 0 0 "[ . 1 . 2]" 1
843 1 37 VAL MG1 1 60 PHE HZ . . 4.940 3.870 3.512 4.172 . 0 0 "[ . 1 . 2]" 1
844 1 37 VAL MG2 1 38 THR H . . 4.440 4.169 4.043 4.263 . 0 0 "[ . 1 . 2]" 1
845 1 37 VAL MG2 1 46 TRP HB2 . . 4.480 3.178 2.811 3.699 . 0 0 "[ . 1 . 2]" 1
846 1 37 VAL MG2 1 46 TRP HB3 . . 4.460 2.577 2.144 3.070 . 0 0 "[ . 1 . 2]" 1
847 1 37 VAL MG2 1 46 TRP HE3 . . 3.790 2.227 1.876 2.615 . 0 0 "[ . 1 . 2]" 1
848 1 37 VAL MG2 1 46 TRP HZ3 . . 3.830 3.305 2.580 3.824 . 0 0 "[ . 1 . 2]" 1
849 1 37 VAL MG2 1 48 GLY HA3 . . 4.500 3.790 3.349 4.156 . 0 0 "[ . 1 . 2]" 1
850 1 37 VAL MG2 1 60 PHE QE . . 3.480 3.222 2.873 3.446 . 0 0 "[ . 1 . 2]" 1
851 1 37 VAL MG2 1 60 PHE HZ . . 3.730 2.178 1.904 2.499 . 0 0 "[ . 1 . 2]" 1
852 1 38 THR H 1 38 THR MG . . 3.540 2.815 2.494 3.036 . 0 0 "[ . 1 . 2]" 1
853 1 38 THR H 1 39 GLY H . . 2.930 2.029 1.826 2.339 . 0 0 "[ . 1 . 2]" 1
854 1 38 THR H 1 47 ILE H . . 4.820 4.204 4.058 4.679 . 0 0 "[ . 1 . 2]" 1
855 1 38 THR H 1 47 ILE MG . . 4.540 4.208 3.727 4.499 . 0 0 "[ . 1 . 2]" 1
856 1 38 THR H 1 48 GLY H . . 4.860 4.556 4.263 4.817 . 0 0 "[ . 1 . 2]" 1
857 1 38 THR H 1 48 GLY HA3 . . 3.850 3.371 2.877 3.690 . 0 0 "[ . 1 . 2]" 1
858 1 38 THR H 1 49 HIS H . . 4.850 4.693 4.112 4.854 0.004 15 0 "[ . 1 . 2]" 1
859 1 38 THR HA 1 38 THR MG . . 2.990 2.366 2.271 2.433 . 0 0 "[ . 1 . 2]" 1
860 1 38 THR MG 1 49 HIS H . . 4.080 3.628 3.306 3.895 . 0 0 "[ . 1 . 2]" 1
861 1 38 THR MG 1 49 HIS HD2 . . 3.630 2.945 1.974 3.589 . 0 0 "[ . 1 . 2]" 1
862 1 38 THR MG 1 49 HIS HE1 . . 4.400 4.269 3.946 4.400 . 2 0 "[ . 1 . 2]" 1
863 1 39 GLY H 1 40 GLU H . . 4.130 3.530 2.702 4.098 . 0 0 "[ . 1 . 2]" 1
864 1 39 GLY H 1 47 ILE H . . 4.450 3.632 3.327 3.849 . 0 0 "[ . 1 . 2]" 1
865 1 39 GLY H 1 47 ILE HB . . 3.390 2.651 2.362 3.131 . 0 0 "[ . 1 . 2]" 1
866 1 39 GLY H 1 47 ILE MD . . 4.610 4.140 3.791 4.487 . 0 0 "[ . 1 . 2]" 1
867 1 39 GLY H 1 47 ILE MG . . 4.060 3.548 2.986 4.001 . 0 0 "[ . 1 . 2]" 1
868 1 39 GLY HA2 1 40 GLU H . . 3.180 2.398 2.139 2.848 . 0 0 "[ . 1 . 2]" 1
869 1 39 GLY HA2 1 47 ILE HB . . 4.460 4.206 3.845 4.450 . 0 0 "[ . 1 . 2]" 1
870 1 39 GLY HA2 1 47 ILE MD . . 4.430 4.269 3.658 4.437 0.007 15 0 "[ . 1 . 2]" 1
871 1 39 GLY HA3 1 40 GLU H . . 3.550 3.496 3.251 3.569 0.019 12 0 "[ . 1 . 2]" 1
872 1 39 GLY HA3 1 47 ILE HB . . 4.000 2.954 2.448 3.442 . 0 0 "[ . 1 . 2]" 1
873 1 39 GLY HA3 1 47 ILE MD . . 3.640 3.070 2.374 3.638 . 0 0 "[ . 1 . 2]" 1
874 1 39 GLY HA3 1 47 ILE MG . . 4.070 3.795 3.193 4.072 0.002 10 0 "[ . 1 . 2]" 1
875 1 40 GLU H 1 40 GLU HB2 . . 4.200 3.080 2.301 3.593 . 0 0 "[ . 1 . 2]" 1
876 1 40 GLU H 1 40 GLU QB . . 3.390 2.396 2.166 2.730 . 0 0 "[ . 1 . 2]" 1
877 1 40 GLU H 1 40 GLU HB3 . . 4.200 2.903 2.187 3.694 . 0 0 "[ . 1 . 2]" 1
878 1 40 GLU H 1 40 GLU HG2 . . 4.830 3.687 1.898 4.265 . 0 0 "[ . 1 . 2]" 1
879 1 40 GLU H 1 40 GLU QG . . 4.120 3.050 1.849 3.927 . 0 0 "[ . 1 . 2]" 1
880 1 40 GLU H 1 40 GLU HG3 . . 4.830 3.364 2.551 4.593 . 0 0 "[ . 1 . 2]" 1
881 1 40 GLU HA 1 40 GLU QG . . 3.680 2.993 2.218 3.563 . 0 0 "[ . 1 . 2]" 1
882 1 40 GLU HA 1 41 GLU H . . 3.080 2.169 2.142 2.251 . 0 0 "[ . 1 . 2]" 1
883 1 40 GLU HA 1 46 TRP HA . . 3.250 2.187 2.005 2.540 . 0 0 "[ . 1 . 2]" 1
884 1 40 GLU HA 1 46 TRP HB2 . . 4.980 4.432 4.226 4.790 . 0 0 "[ . 1 . 2]" 1
885 1 40 GLU HA 1 46 TRP HB3 . . 4.790 3.127 2.837 3.466 . 0 0 "[ . 1 . 2]" 1
886 1 40 GLU HA 1 46 TRP HD1 . . 3.660 2.793 2.249 3.078 . 0 0 "[ . 1 . 2]" 1
887 1 40 GLU HA 1 46 TRP HE1 . . 5.500 4.737 4.137 5.121 . 0 0 "[ . 1 . 2]" 1
888 1 40 GLU HA 1 47 ILE H . . 3.810 2.261 1.896 2.764 . 0 0 "[ . 1 . 2]" 1
889 1 40 GLU HA 1 47 ILE MD . . 4.420 4.030 2.061 4.418 . 0 0 "[ . 1 . 2]" 1
890 1 40 GLU HA 1 47 ILE QG . . 4.490 3.528 2.680 4.497 0.007 6 0 "[ . 1 . 2]" 1
891 1 40 GLU QB 1 41 GLU H . . 3.880 3.501 3.160 3.884 0.004 17 0 "[ . 1 . 2]" 1
892 1 40 GLU QB 1 42 ASP H . . 4.480 3.933 3.024 4.482 0.002 17 0 "[ . 1 . 2]" 1
893 1 40 GLU QB 1 46 TRP HA . . 4.600 3.397 2.773 4.224 . 0 0 "[ . 1 . 2]" 1
894 1 40 GLU QB 1 46 TRP HD1 . . 3.700 2.368 1.927 3.605 . 0 0 "[ . 1 . 2]" 1
895 1 40 GLU QB 1 46 TRP HE1 . . 3.980 2.869 2.232 3.973 . 0 0 "[ . 1 . 2]" 1
896 1 40 GLU HB2 1 41 GLU H . . 4.530 3.926 3.278 4.534 0.004 3 0 "[ . 1 . 2]" 1
897 1 40 GLU HB3 1 41 GLU H . . 4.530 4.152 3.615 4.457 . 0 0 "[ . 1 . 2]" 1
898 1 40 GLU QG 1 46 TRP HA . . 4.740 4.249 3.428 4.745 0.005 20 0 "[ . 1 . 2]" 1
899 1 40 GLU QG 1 46 TRP HD1 . . 4.060 3.498 2.100 4.091 0.031 10 0 "[ . 1 . 2]" 1
900 1 40 GLU QG 1 46 TRP HE1 . . 3.970 3.518 2.252 3.982 0.012 15 0 "[ . 1 . 2]" 1
901 1 40 GLU HG2 1 46 TRP HE1 . . 4.530 3.928 2.789 4.519 . 0 0 "[ . 1 . 2]" 1
902 1 40 GLU HG3 1 46 TRP HE1 . . 4.530 4.192 2.270 4.535 0.005 5 0 "[ . 1 . 2]" 1
903 1 41 GLU H 1 41 GLU HB2 . . 3.560 2.258 2.173 2.440 . 0 0 "[ . 1 . 2]" 1
904 1 41 GLU H 1 41 GLU QB . . 3.080 2.184 2.122 2.283 . 0 0 "[ . 1 . 2]" 1
905 1 41 GLU H 1 41 GLU HB3 . . 3.560 3.008 2.635 3.525 . 0 0 "[ . 1 . 2]" 1
906 1 41 GLU H 1 41 GLU HG2 . . 5.040 4.196 2.816 4.659 . 0 0 "[ . 1 . 2]" 1
907 1 41 GLU H 1 41 GLU HG3 . . 5.040 4.127 2.814 4.602 . 0 0 "[ . 1 . 2]" 1
908 1 41 GLU H 1 45 TRP HB2 . . 5.330 4.941 4.449 5.310 . 0 0 "[ . 1 . 2]" 1
909 1 41 GLU H 1 46 TRP H . . 5.240 4.730 4.491 5.020 . 0 0 "[ . 1 . 2]" 1
910 1 41 GLU H 1 46 TRP HA . . 3.340 2.205 1.933 2.499 . 0 0 "[ . 1 . 2]" 1
911 1 41 GLU H 1 46 TRP HB3 . . 4.840 4.429 4.163 4.807 . 0 0 "[ . 1 . 2]" 1
912 1 41 GLU H 1 46 TRP HD1 . . 3.910 3.118 2.649 3.513 . 0 0 "[ . 1 . 2]" 1
913 1 41 GLU H 1 47 ILE H . . 4.470 3.170 2.749 3.670 . 0 0 "[ . 1 . 2]" 1
914 1 41 GLU H 1 47 ILE MD . . 4.460 3.100 1.889 3.767 . 0 0 "[ . 1 . 2]" 1
915 1 41 GLU H 1 47 ILE HG12 . . 4.750 4.171 3.493 4.754 0.004 6 0 "[ . 1 . 2]" 1
916 1 41 GLU H 1 47 ILE QG . . 4.120 2.605 1.894 3.937 . 0 0 "[ . 1 . 2]" 1
917 1 41 GLU H 1 47 ILE HG13 . . 4.750 2.651 1.903 4.275 . 0 0 "[ . 1 . 2]" 1
918 1 41 GLU H 1 59 VAL MG2 . . 5.040 4.025 3.593 4.555 . 0 0 "[ . 1 . 2]" 1
919 1 41 GLU HA 1 41 GLU HG2 . . 3.860 2.865 2.162 3.770 . 0 0 "[ . 1 . 2]" 1
920 1 41 GLU HA 1 41 GLU QG . . 3.250 2.370 2.126 2.926 . 0 0 "[ . 1 . 2]" 1
921 1 41 GLU HA 1 41 GLU HG3 . . 3.860 2.889 2.209 3.636 . 0 0 "[ . 1 . 2]" 1
922 1 41 GLU HA 1 47 ILE MD . . 4.050 3.219 2.875 3.730 . 0 0 "[ . 1 . 2]" 1
923 1 41 GLU QB 1 42 ASP H . . 3.310 2.342 1.917 2.749 . 0 0 "[ . 1 . 2]" 1
924 1 41 GLU QB 1 45 TRP H . . 4.830 4.273 4.001 4.595 . 0 0 "[ . 1 . 2]" 1
925 1 41 GLU QB 1 45 TRP HB2 . . 3.650 2.971 2.801 3.192 . 0 0 "[ . 1 . 2]" 1
926 1 41 GLU QB 1 45 TRP HB3 . . 3.650 3.459 3.232 3.607 . 0 0 "[ . 1 . 2]" 1
927 1 41 GLU QB 1 47 ILE MD . . 3.650 2.458 1.796 3.559 . 0 0 "[ . 1 . 2]" 1
928 1 41 GLU QB 1 47 ILE QG . . 4.020 2.608 2.074 3.466 . 0 0 "[ . 1 . 2]" 1
929 1 41 GLU QB 1 59 VAL MG2 . . 4.170 2.788 2.321 3.274 . 0 0 "[ . 1 . 2]" 1
930 1 41 GLU HB2 1 42 ASP H . . 3.900 3.245 2.317 3.741 . 0 0 "[ . 1 . 2]" 1
931 1 41 GLU HB2 1 45 TRP HB3 . . 4.420 4.160 3.338 4.421 0.001 9 0 "[ . 1 . 2]" 1
932 1 41 GLU HB2 1 47 ILE MD . . 4.500 2.516 1.811 3.763 . 0 0 "[ . 1 . 2]" 1
933 1 41 GLU HB2 1 59 VAL MG2 . . 5.020 2.965 2.479 3.504 . 0 0 "[ . 1 . 2]" 1
934 1 41 GLU HB3 1 42 ASP H . . 3.900 2.500 1.931 3.280 . 0 0 "[ . 1 . 2]" 1
935 1 41 GLU HB3 1 45 TRP HB3 . . 4.420 3.866 3.413 4.419 . 0 0 "[ . 1 . 2]" 1
936 1 41 GLU HB3 1 47 ILE MD . . 4.500 3.810 2.956 4.389 . 0 0 "[ . 1 . 2]" 1
937 1 41 GLU HB3 1 59 VAL MG2 . . 5.020 3.456 2.797 4.208 . 0 0 "[ . 1 . 2]" 1
938 1 41 GLU QG 1 47 ILE MD . . 3.670 2.639 1.683 3.658 . 0 0 "[ . 1 . 2]" 1
939 1 41 GLU QG 1 47 ILE QG . . 4.590 3.572 2.007 4.587 . 0 0 "[ . 1 . 2]" 1
940 1 41 GLU QG 1 59 VAL MG2 . . 4.800 3.470 2.697 4.669 . 0 0 "[ . 1 . 2]" 1
941 1 41 GLU HG2 1 42 ASP H . . 5.460 4.497 3.743 5.101 . 0 0 "[ . 1 . 2]" 1
942 1 41 GLU HG2 1 47 ILE MD . . 4.230 3.274 1.805 4.232 0.002 6 0 "[ . 1 . 2]" 1
943 1 41 GLU HG2 1 59 VAL MG2 . . 5.500 4.192 3.182 5.504 0.004 6 0 "[ . 1 . 2]" 1
944 1 41 GLU HG3 1 42 ASP H . . 5.460 4.612 3.867 4.991 . 0 0 "[ . 1 . 2]" 1
945 1 41 GLU HG3 1 47 ILE MD . . 4.230 2.993 1.850 4.229 . 0 0 "[ . 1 . 2]" 1
946 1 41 GLU HG3 1 59 VAL MG2 . . 5.500 3.980 2.733 5.049 . 0 0 "[ . 1 . 2]" 1
947 1 42 ASP H 1 45 TRP H . . 3.890 3.255 2.949 3.586 . 0 0 "[ . 1 . 2]" 1
948 1 42 ASP H 1 45 TRP HB2 . . 4.330 3.505 2.963 4.009 . 0 0 "[ . 1 . 2]" 1
949 1 42 ASP H 1 45 TRP HB3 . . 4.760 4.469 3.935 4.760 . 0 0 "[ . 1 . 2]" 1
950 1 42 ASP H 1 46 TRP H . . 5.500 4.891 4.759 4.976 . 0 0 "[ . 1 . 2]" 1
951 1 42 ASP H 1 46 TRP HA . . 4.710 3.406 3.152 3.762 . 0 0 "[ . 1 . 2]" 1
952 1 42 ASP H 1 46 TRP HD1 . . 4.250 2.831 2.362 3.242 . 0 0 "[ . 1 . 2]" 1
953 1 42 ASP H 1 46 TRP HE1 . . 5.230 4.483 3.888 4.961 . 0 0 "[ . 1 . 2]" 1
954 1 42 ASP HA 1 43 GLN H . . 3.280 2.605 2.533 2.651 . 0 0 "[ . 1 . 2]" 1
955 1 42 ASP HA 1 44 GLU H . . 4.920 4.105 3.979 4.335 . 0 0 "[ . 1 . 2]" 1
956 1 42 ASP HA 1 45 TRP H . . 4.920 4.549 4.340 4.790 . 0 0 "[ . 1 . 2]" 1
957 1 42 ASP HA 1 46 TRP HE1 . . 5.500 5.017 4.384 5.380 . 0 0 "[ . 1 . 2]" 1
958 1 42 ASP QB 1 43 GLN H . . 2.750 2.049 1.918 2.272 . 0 0 "[ . 1 . 2]" 1
959 1 42 ASP QB 1 43 GLN QB . . 4.410 3.835 3.620 4.318 . 0 0 "[ . 1 . 2]" 1
960 1 42 ASP QB 1 44 GLU H . . 4.270 2.390 2.240 2.604 . 0 0 "[ . 1 . 2]" 1
961 1 42 ASP QB 1 45 TRP H . . 4.310 2.558 2.191 3.388 . 0 0 "[ . 1 . 2]" 1
962 1 42 ASP HB2 1 43 GLN H . . 3.400 2.867 1.929 3.399 . 0 0 "[ . 1 . 2]" 1
963 1 42 ASP HB3 1 43 GLN H . . 3.400 2.413 1.971 3.398 . 0 0 "[ . 1 . 2]" 1
964 1 43 GLN H 1 43 GLN HB2 . . 3.590 2.562 2.203 3.598 0.008 13 0 "[ . 1 . 2]" 1
965 1 43 GLN H 1 43 GLN QB . . 2.970 2.342 2.182 2.605 . 0 0 "[ . 1 . 2]" 1
966 1 43 GLN H 1 43 GLN HB3 . . 3.590 3.206 2.432 3.603 0.013 18 0 "[ . 1 . 2]" 1
967 1 43 GLN H 1 43 GLN QG . . 4.050 3.012 1.892 4.077 0.027 19 0 "[ . 1 . 2]" 1
968 1 43 GLN H 1 44 GLU H . . 3.390 2.546 2.467 2.631 . 0 0 "[ . 1 . 2]" 1
969 1 43 GLN H 1 44 GLU QG . . 5.210 4.151 3.734 4.623 . 0 0 "[ . 1 . 2]" 1
970 1 43 GLN HA 1 43 GLN QG . . 3.700 2.538 2.199 3.338 . 0 0 "[ . 1 . 2]" 1
971 1 43 GLN HA 1 46 TRP HD1 . . 5.000 4.424 4.224 4.601 . 0 0 "[ . 1 . 2]" 1
972 1 43 GLN HA 1 46 TRP HE1 . . 3.550 2.637 2.286 3.005 . 0 0 "[ . 1 . 2]" 1
973 1 43 GLN QB 1 44 GLU H . . 3.600 3.329 3.036 3.604 0.004 15 0 "[ . 1 . 2]" 1
974 1 43 GLN QB 1 46 TRP HE1 . . 4.980 4.625 4.326 4.984 0.004 10 0 "[ . 1 . 2]" 1
975 1 43 GLN HB2 1 44 GLU H . . 4.470 3.702 3.154 4.256 . 0 0 "[ . 1 . 2]" 1
976 1 43 GLN HB3 1 44 GLU H . . 4.470 3.955 3.412 4.292 . 0 0 "[ . 1 . 2]" 1
977 1 43 GLN QG 1 44 GLU H . . 4.660 4.210 2.441 4.684 0.024 7 0 "[ . 1 . 2]" 1
978 1 44 GLU H 1 44 GLU HB2 . . 3.720 2.552 2.339 2.757 . 0 0 "[ . 1 . 2]" 1
979 1 44 GLU H 1 44 GLU HB3 . . 3.730 3.705 3.593 3.755 0.025 6 0 "[ . 1 . 2]" 1
980 1 44 GLU H 1 44 GLU QG . . 3.040 2.903 2.655 3.044 0.004 20 0 "[ . 1 . 2]" 1
981 1 44 GLU H 1 45 TRP H . . 2.810 2.019 1.837 2.307 . 0 0 "[ . 1 . 2]" 1
982 1 44 GLU H 1 45 TRP HB2 . . 4.760 4.400 4.176 4.682 . 0 0 "[ . 1 . 2]" 1
983 1 44 GLU H 1 45 TRP HD1 . . 4.300 3.813 3.593 4.276 . 0 0 "[ . 1 . 2]" 1
984 1 44 GLU H 1 62 VAL MG2 . . 5.120 4.119 3.680 4.363 . 0 0 "[ . 1 . 2]" 1
985 1 44 GLU HA 1 44 GLU HG2 . . 3.800 2.922 2.331 3.648 . 0 0 "[ . 1 . 2]" 1
986 1 44 GLU HA 1 44 GLU HG3 . . 3.800 3.244 2.543 3.743 . 0 0 "[ . 1 . 2]" 1
987 1 44 GLU HA 1 62 VAL H . . 4.570 4.086 3.723 4.384 . 0 0 "[ . 1 . 2]" 1
988 1 44 GLU HA 1 62 VAL HB . . 3.650 3.025 2.701 3.260 . 0 0 "[ . 1 . 2]" 1
989 1 44 GLU HA 1 62 VAL MG1 . . 4.300 4.190 3.966 4.298 . 0 0 "[ . 1 . 2]" 1
990 1 44 GLU HA 1 62 VAL MG2 . . 3.620 3.271 2.797 3.519 . 0 0 "[ . 1 . 2]" 1
991 1 44 GLU HB2 1 45 TRP H . . 4.030 2.855 2.567 3.307 . 0 0 "[ . 1 . 2]" 1
992 1 44 GLU HB2 1 45 TRP HD1 . . 3.770 2.135 1.996 2.392 . 0 0 "[ . 1 . 2]" 1
993 1 44 GLU HB2 1 45 TRP HE1 . . 4.260 3.853 3.551 4.258 . 0 0 "[ . 1 . 2]" 1
994 1 44 GLU HB3 1 45 TRP H . . 4.030 3.817 3.405 4.030 0.000 2 0 "[ . 1 . 2]" 1
995 1 44 GLU HB3 1 45 TRP HD1 . . 3.300 2.867 2.270 3.303 0.003 12 0 "[ . 1 . 2]" 1
996 1 44 GLU HB3 1 45 TRP HE1 . . 4.000 3.618 3.299 3.999 . 0 0 "[ . 1 . 2]" 1
997 1 44 GLU HB3 1 62 VAL HB . . 4.910 4.745 4.495 4.903 . 0 0 "[ . 1 . 2]" 1
998 1 44 GLU HB3 1 62 VAL MG2 . . 4.800 4.715 4.431 4.803 0.003 12 0 "[ . 1 . 2]" 1
999 1 44 GLU QG 1 45 TRP H . . 4.740 4.206 4.005 4.377 . 0 0 "[ . 1 . 2]" 1
1000 1 44 GLU QG 1 45 TRP HD1 . . 4.300 4.058 3.779 4.275 . 0 0 "[ . 1 . 2]" 1
1001 1 44 GLU HG2 1 45 TRP H . . 5.500 4.823 4.341 5.223 . 0 0 "[ . 1 . 2]" 1
1002 1 44 GLU HG2 1 45 TRP HD1 . . 5.020 4.675 4.372 5.020 . 0 0 "[ . 1 . 2]" 1
1003 1 44 GLU HG3 1 45 TRP H . . 5.500 4.752 4.202 5.330 . 0 0 "[ . 1 . 2]" 1
1004 1 44 GLU HG3 1 45 TRP HD1 . . 5.020 4.501 4.092 4.981 . 0 0 "[ . 1 . 2]" 1
1005 1 45 TRP H 1 45 TRP HB2 . . 3.270 2.606 2.518 2.726 . 0 0 "[ . 1 . 2]" 1
1006 1 45 TRP H 1 45 TRP HB3 . . 3.940 3.756 3.702 3.828 . 0 0 "[ . 1 . 2]" 1
1007 1 45 TRP H 1 45 TRP HD1 . . 3.740 2.868 2.421 3.188 . 0 0 "[ . 1 . 2]" 1
1008 1 45 TRP H 1 46 TRP HD1 . . 4.320 4.119 3.879 4.318 . 0 0 "[ . 1 . 2]" 1
1009 1 45 TRP H 1 62 VAL MG2 . . 4.390 3.429 2.986 3.772 . 0 0 "[ . 1 . 2]" 1
1010 1 45 TRP HA 1 45 TRP HD1 . . 4.860 3.788 3.431 4.040 . 0 0 "[ . 1 . 2]" 1
1011 1 45 TRP HA 1 45 TRP HE3 . . 4.370 3.705 3.356 4.109 . 0 0 "[ . 1 . 2]" 1
1012 1 45 TRP HA 1 46 TRP H . . 2.810 2.174 2.146 2.202 . 0 0 "[ . 1 . 2]" 1
1013 1 45 TRP HA 1 59 VAL MG2 . . 5.260 3.742 3.593 3.879 . 0 0 "[ . 1 . 2]" 1
1014 1 45 TRP HA 1 61 PRO HA . . 3.440 2.697 2.536 2.957 . 0 0 "[ . 1 . 2]" 1
1015 1 45 TRP HA 1 62 VAL H . . 3.670 2.516 2.205 2.776 . 0 0 "[ . 1 . 2]" 1
1016 1 45 TRP HA 1 62 VAL MG2 . . 3.960 2.462 2.109 2.710 . 0 0 "[ . 1 . 2]" 1
1017 1 45 TRP HB2 1 45 TRP HD1 . . 3.730 2.822 2.716 2.963 . 0 0 "[ . 1 . 2]" 1
1018 1 45 TRP HB2 1 46 TRP H . . 4.290 4.172 4.048 4.267 . 0 0 "[ . 1 . 2]" 1
1019 1 45 TRP HB2 1 59 VAL MG2 . . 4.410 3.241 2.902 3.537 . 0 0 "[ . 1 . 2]" 1
1020 1 45 TRP HB3 1 45 TRP HE3 . . 3.860 2.442 2.399 2.511 . 0 0 "[ . 1 . 2]" 1
1021 1 45 TRP HB3 1 46 TRP H . . 4.000 3.164 3.025 3.360 . 0 0 "[ . 1 . 2]" 1
1022 1 45 TRP HB3 1 59 VAL HB . . 4.850 4.784 4.602 4.854 0.004 9 0 "[ . 1 . 2]" 1
1023 1 45 TRP HB3 1 59 VAL MG1 . . 4.890 4.124 3.850 4.475 . 0 0 "[ . 1 . 2]" 1
1024 1 45 TRP HB3 1 59 VAL MG2 . . 3.500 2.128 1.906 2.310 . 0 0 "[ . 1 . 2]" 1
1025 1 45 TRP HE3 1 46 TRP H . . 4.440 4.195 3.839 4.428 . 0 0 "[ . 1 . 2]" 1
1026 1 45 TRP HE3 1 59 VAL HB . . 4.910 4.707 4.149 4.920 0.010 9 0 "[ . 1 . 2]" 1
1027 1 45 TRP HE3 1 59 VAL MG1 . . 3.750 3.017 2.165 3.474 . 0 0 "[ . 1 . 2]" 1
1028 1 45 TRP HE3 1 59 VAL MG2 . . 3.330 1.947 1.839 2.098 . 0 0 "[ . 1 . 2]" 1
1029 1 45 TRP HE3 1 60 PHE H . . 4.070 3.384 2.992 3.728 . 0 0 "[ . 1 . 2]" 1
1030 1 45 TRP HE3 1 60 PHE HA . . 4.070 3.209 2.933 3.538 . 0 0 "[ . 1 . 2]" 1
1031 1 45 TRP HE3 1 61 PRO HA . . 4.410 3.563 3.227 4.216 . 0 0 "[ . 1 . 2]" 1
1032 1 45 TRP HE3 1 61 PRO HD3 . . 4.440 3.514 3.233 4.113 . 0 0 "[ . 1 . 2]" 1
1033 1 45 TRP HH2 1 61 PRO HD3 . . 4.690 3.453 2.978 3.870 . 0 0 "[ . 1 . 2]" 1
1034 1 45 TRP HZ2 1 61 PRO HB2 . . 5.500 5.177 4.614 5.497 . 0 0 "[ . 1 . 2]" 1
1035 1 45 TRP HZ2 1 61 PRO HB3 . . 4.800 3.586 2.983 3.952 . 0 0 "[ . 1 . 2]" 1
1036 1 45 TRP HZ3 1 59 VAL MG1 . . 4.250 3.327 2.203 3.687 . 0 0 "[ . 1 . 2]" 1
1037 1 45 TRP HZ3 1 59 VAL MG2 . . 4.430 3.681 3.383 3.961 . 0 0 "[ . 1 . 2]" 1
1038 1 45 TRP HZ3 1 60 PHE HA . . 3.860 3.053 2.492 3.386 . 0 0 "[ . 1 . 2]" 1
1039 1 45 TRP HZ3 1 61 PRO HD2 . . 4.840 3.964 3.637 4.782 . 0 0 "[ . 1 . 2]" 1
1040 1 45 TRP HZ3 1 61 PRO HD3 . . 3.870 2.323 1.997 3.293 . 0 0 "[ . 1 . 2]" 1
1041 1 46 TRP H 1 46 TRP HB2 . . 3.400 2.547 2.451 2.626 . 0 0 "[ . 1 . 2]" 1
1042 1 46 TRP H 1 46 TRP HB3 . . 3.840 3.713 3.625 3.772 . 0 0 "[ . 1 . 2]" 1
1043 1 46 TRP H 1 46 TRP HD1 . . 4.300 3.908 3.759 4.128 . 0 0 "[ . 1 . 2]" 1
1044 1 46 TRP H 1 59 VAL HA . . 4.830 4.714 4.438 4.834 0.004 20 0 "[ . 1 . 2]" 1
1045 1 46 TRP H 1 59 VAL MG2 . . 4.270 3.246 2.990 3.506 . 0 0 "[ . 1 . 2]" 1
1046 1 46 TRP H 1 60 PHE H . . 3.710 3.082 2.829 3.278 . 0 0 "[ . 1 . 2]" 1
1047 1 46 TRP H 1 60 PHE QD . . 4.980 4.265 4.087 4.474 . 0 0 "[ . 1 . 2]" 1
1048 1 46 TRP H 1 61 PRO HA . . 4.100 3.984 3.835 4.102 0.002 14 0 "[ . 1 . 2]" 1
1049 1 46 TRP H 1 62 VAL H . . 4.450 3.605 3.225 4.128 . 0 0 "[ . 1 . 2]" 1
1050 1 46 TRP H 1 62 VAL MG2 . . 3.730 2.604 2.321 2.969 . 0 0 "[ . 1 . 2]" 1
1051 1 46 TRP HA 1 46 TRP HD1 . . 3.260 2.070 1.976 2.175 . 0 0 "[ . 1 . 2]" 1
1052 1 46 TRP HA 1 46 TRP HE1 . . 4.790 4.575 4.455 4.689 . 0 0 "[ . 1 . 2]" 1
1053 1 46 TRP HA 1 47 ILE H . . 3.250 2.429 2.364 2.543 . 0 0 "[ . 1 . 2]" 1
1054 1 46 TRP HA 1 47 ILE QG . . 4.440 3.267 3.043 3.910 . 0 0 "[ . 1 . 2]" 1
1055 1 46 TRP HA 1 59 VAL MG2 . . 5.000 3.918 3.710 4.197 . 0 0 "[ . 1 . 2]" 1
1056 1 46 TRP HB2 1 46 TRP HE3 . . 3.840 2.744 2.616 2.950 . 0 0 "[ . 1 . 2]" 1
1057 1 46 TRP HB2 1 47 ILE H . . 3.770 3.704 3.383 3.778 0.008 15 0 "[ . 1 . 2]" 1
1058 1 46 TRP HB2 1 60 PHE QE . . 4.860 3.365 3.011 3.565 . 0 0 "[ . 1 . 2]" 1
1059 1 46 TRP HB2 1 60 PHE HZ . . 4.500 3.369 2.946 3.717 . 0 0 "[ . 1 . 2]" 1
1060 1 46 TRP HB2 1 62 VAL MG2 . . 4.210 2.526 2.070 3.163 . 0 0 "[ . 1 . 2]" 1
1061 1 46 TRP HB3 1 47 ILE H . . 3.110 2.387 2.145 2.527 . 0 0 "[ . 1 . 2]" 1
1062 1 46 TRP HB3 1 60 PHE QE . . 5.050 3.802 3.226 4.415 . 0 0 "[ . 1 . 2]" 1
1063 1 46 TRP HB3 1 60 PHE HZ . . 4.600 3.496 2.945 4.173 . 0 0 "[ . 1 . 2]" 1
1064 1 46 TRP HD1 1 47 ILE H . . 4.810 4.129 3.965 4.307 . 0 0 "[ . 1 . 2]" 1
1065 1 46 TRP HD1 1 62 VAL MG1 . . 5.500 5.348 5.013 5.502 0.002 6 0 "[ . 1 . 2]" 1
1066 1 46 TRP HD1 1 62 VAL MG2 . . 4.170 3.369 3.095 3.546 . 0 0 "[ . 1 . 2]" 1
1067 1 46 TRP HE1 1 62 VAL MG1 . . 4.730 4.644 4.452 4.733 0.003 20 0 "[ . 1 . 2]" 1
1068 1 46 TRP HE1 1 62 VAL MG2 . . 3.810 3.407 3.148 3.735 . 0 0 "[ . 1 . 2]" 1
1069 1 46 TRP HE3 1 62 VAL HA . . 4.880 4.442 3.939 4.815 . 0 0 "[ . 1 . 2]" 1
1070 1 46 TRP HE3 1 62 VAL MG1 . . 4.230 3.531 3.232 3.958 . 0 0 "[ . 1 . 2]" 1
1071 1 46 TRP HE3 1 62 VAL MG2 . . 4.460 2.965 2.596 3.343 . 0 0 "[ . 1 . 2]" 1
1072 1 46 TRP HE3 1 65 VAL MG2 . . 4.250 3.408 2.935 3.658 . 0 0 "[ . 1 . 2]" 1
1073 1 46 TRP HE3 1 67 ILE MD . . 4.980 4.779 3.858 4.984 0.004 17 0 "[ . 1 . 2]" 1
1074 1 46 TRP HH2 1 62 VAL MG1 . . 4.310 3.387 2.765 4.177 . 0 0 "[ . 1 . 2]" 1
1075 1 46 TRP HH2 1 62 VAL MG2 . . 4.980 4.348 3.990 4.898 . 0 0 "[ . 1 . 2]" 1
1076 1 46 TRP HH2 1 67 ILE MD . . 3.430 1.986 1.812 2.376 . 0 0 "[ . 1 . 2]" 1
1077 1 46 TRP HH2 1 67 ILE HG12 . . 4.970 3.346 2.747 4.032 . 0 0 "[ . 1 . 2]" 1
1078 1 46 TRP HH2 1 67 ILE QG . . 4.340 3.036 2.609 3.550 . 0 0 "[ . 1 . 2]" 1
1079 1 46 TRP HH2 1 67 ILE HG13 . . 4.970 3.570 2.699 4.086 . 0 0 "[ . 1 . 2]" 1
1080 1 46 TRP HH2 1 67 ILE MG . . 4.860 4.498 3.824 4.859 . 0 0 "[ . 1 . 2]" 1
1081 1 46 TRP HZ2 1 62 VAL MG1 . . 4.310 3.751 3.243 4.263 . 0 0 "[ . 1 . 2]" 1
1082 1 46 TRP HZ2 1 62 VAL MG2 . . 4.430 3.847 3.418 4.309 . 0 0 "[ . 1 . 2]" 1
1083 1 46 TRP HZ2 1 67 ILE MD . . 4.400 3.938 3.543 4.401 0.001 7 0 "[ . 1 . 2]" 1
1084 1 46 TRP HZ3 1 65 VAL MG2 . . 4.510 3.698 2.867 4.224 . 0 0 "[ . 1 . 2]" 1
1085 1 46 TRP HZ3 1 67 ILE MD . . 3.890 2.786 1.879 3.090 . 0 0 "[ . 1 . 2]" 1
1086 1 46 TRP HZ3 1 67 ILE QG . . 4.660 2.378 1.961 3.813 . 0 0 "[ . 1 . 2]" 1
1087 1 46 TRP HZ3 1 67 ILE MG . . 4.820 4.194 3.597 4.699 . 0 0 "[ . 1 . 2]" 1
1088 1 47 ILE H 1 47 ILE HB . . 3.370 2.758 2.605 2.910 . 0 0 "[ . 1 . 2]" 1
1089 1 47 ILE H 1 47 ILE MD . . 4.020 3.732 2.097 4.022 0.002 12 0 "[ . 1 . 2]" 1
1090 1 47 ILE H 1 47 ILE HG12 . . 4.520 3.936 3.702 4.431 . 0 0 "[ . 1 . 2]" 1
1091 1 47 ILE H 1 47 ILE QG . . 3.700 2.691 2.452 3.447 . 0 0 "[ . 1 . 2]" 1
1092 1 47 ILE H 1 47 ILE HG13 . . 4.520 2.744 2.484 3.614 . 0 0 "[ . 1 . 2]" 1
1093 1 47 ILE H 1 47 ILE MG . . 4.020 3.897 3.812 3.960 . 0 0 "[ . 1 . 2]" 1
1094 1 47 ILE H 1 48 GLY H . . 4.860 4.394 4.339 4.479 . 0 0 "[ . 1 . 2]" 1
1095 1 47 ILE H 1 60 PHE QD . . 5.500 5.217 4.855 5.501 0.001 6 0 "[ . 1 . 2]" 1
1096 1 47 ILE H 1 60 PHE QE . . 5.170 4.049 3.514 4.442 . 0 0 "[ . 1 . 2]" 1
1097 1 47 ILE H 1 60 PHE HZ . . 5.500 4.831 4.453 5.263 . 0 0 "[ . 1 . 2]" 1
1098 1 47 ILE HA 1 47 ILE MD . . 4.180 3.843 3.310 3.961 . 0 0 "[ . 1 . 2]" 1
1099 1 47 ILE HA 1 47 ILE HG12 . . 4.200 2.773 2.544 3.699 . 0 0 "[ . 1 . 2]" 1
1100 1 47 ILE HA 1 47 ILE HG13 . . 4.200 2.988 2.454 3.173 . 0 0 "[ . 1 . 2]" 1
1101 1 47 ILE HA 1 47 ILE MG . . 3.140 2.317 2.205 2.408 . 0 0 "[ . 1 . 2]" 1
1102 1 47 ILE HA 1 48 GLY H . . 2.920 2.186 2.157 2.224 . 0 0 "[ . 1 . 2]" 1
1103 1 47 ILE HA 1 58 GLY H . . 4.980 4.745 4.598 4.925 . 0 0 "[ . 1 . 2]" 1
1104 1 47 ILE HA 1 59 VAL HA . . 3.150 2.332 2.157 2.584 . 0 0 "[ . 1 . 2]" 1
1105 1 47 ILE HA 1 59 VAL MG2 . . 3.880 3.659 3.427 3.883 0.003 19 0 "[ . 1 . 2]" 1
1106 1 47 ILE HA 1 60 PHE H . . 4.140 3.453 3.255 3.733 . 0 0 "[ . 1 . 2]" 1
1107 1 47 ILE HA 1 60 PHE QD . . 4.600 3.087 2.697 3.432 . 0 0 "[ . 1 . 2]" 1
1108 1 47 ILE HB 1 48 GLY H . . 4.210 3.985 3.824 4.187 . 0 0 "[ . 1 . 2]" 1
1109 1 47 ILE MD 1 59 VAL HA . . 4.720 4.111 3.698 4.530 . 0 0 "[ . 1 . 2]" 1
1110 1 47 ILE QG 1 48 GLY H . . 4.550 4.194 3.987 4.270 . 0 0 "[ . 1 . 2]" 1
1111 1 47 ILE QG 1 59 VAL HA . . 3.760 2.469 2.155 2.940 . 0 0 "[ . 1 . 2]" 1
1112 1 47 ILE QG 1 59 VAL HB . . 4.430 2.477 1.975 2.976 . 0 0 "[ . 1 . 2]" 1
1113 1 47 ILE MG 1 48 GLY H . . 3.240 2.246 1.962 2.477 . 0 0 "[ . 1 . 2]" 1
1114 1 47 ILE MG 1 48 GLY HA3 . . 4.250 4.177 3.996 4.261 0.011 15 0 "[ . 1 . 2]" 1
1115 1 47 ILE MG 1 58 GLY HA2 . . 3.990 3.345 3.022 3.666 . 0 0 "[ . 1 . 2]" 1
1116 1 47 ILE MG 1 58 GLY HA3 . . 5.500 4.492 4.143 4.878 . 0 0 "[ . 1 . 2]" 1
1117 1 47 ILE MG 1 59 VAL HA . . 3.920 3.112 2.803 3.470 . 0 0 "[ . 1 . 2]" 1
1118 1 48 GLY H 1 49 HIS H . . 5.220 4.365 4.291 4.399 . 0 0 "[ . 1 . 2]" 1
1119 1 48 GLY H 1 58 GLY H . . 3.540 3.391 3.180 3.544 0.004 10 0 "[ . 1 . 2]" 1
1120 1 48 GLY H 1 58 GLY HA2 . . 5.040 4.870 4.701 5.044 0.004 11 0 "[ . 1 . 2]" 1
1121 1 48 GLY H 1 59 VAL HA . . 4.060 3.854 3.556 4.061 0.001 3 0 "[ . 1 . 2]" 1
1122 1 48 GLY H 1 60 PHE QD . . 3.720 3.197 2.825 3.656 . 0 0 "[ . 1 . 2]" 1
1123 1 48 GLY HA3 1 49 HIS H . . 3.260 2.624 2.388 2.931 . 0 0 "[ . 1 . 2]" 1
1124 1 48 GLY HA3 1 60 PHE HZ . . 4.520 3.789 3.530 4.133 . 0 0 "[ . 1 . 2]" 1
1125 1 49 HIS H 1 49 HIS HB3 . . 4.070 3.191 2.995 3.355 . 0 0 "[ . 1 . 2]" 1
1126 1 49 HIS H 1 49 HIS HD2 . . 4.750 3.684 3.109 4.214 . 0 0 "[ . 1 . 2]" 1
1127 1 49 HIS H 1 57 LYS HA . . 4.950 4.646 4.406 4.763 . 0 0 "[ . 1 . 2]" 1
1128 1 49 HIS H 1 57 LYS HB3 . . 5.500 4.898 4.606 5.139 . 0 0 "[ . 1 . 2]" 1
1129 1 49 HIS HA 1 50 ILE H . . 3.250 2.223 2.191 2.301 . 0 0 "[ . 1 . 2]" 1
1130 1 49 HIS HA 1 50 ILE HB . . 4.820 4.746 4.629 4.825 0.005 17 0 "[ . 1 . 2]" 1
1131 1 49 HIS HA 1 50 ILE HG12 . . 4.370 3.837 3.688 4.129 . 0 0 "[ . 1 . 2]" 1
1132 1 49 HIS HA 1 56 ARG QB . . 4.670 4.190 3.983 4.676 0.006 2 0 "[ . 1 . 2]" 1
1133 1 49 HIS HA 1 57 LYS H . . 5.120 4.769 4.561 4.850 . 0 0 "[ . 1 . 2]" 1
1134 1 49 HIS HA 1 57 LYS HA . . 3.060 2.371 2.116 2.443 . 0 0 "[ . 1 . 2]" 1
1135 1 49 HIS HA 1 57 LYS HB2 . . 4.500 4.020 3.326 4.300 . 0 0 "[ . 1 . 2]" 1
1136 1 49 HIS HA 1 57 LYS HB3 . . 4.110 3.438 3.089 3.843 . 0 0 "[ . 1 . 2]" 1
1137 1 49 HIS HA 1 57 LYS QG . . 5.360 5.056 4.738 5.248 . 0 0 "[ . 1 . 2]" 1
1138 1 49 HIS HA 1 58 GLY H . . 3.960 3.767 3.484 3.902 . 0 0 "[ . 1 . 2]" 1
1139 1 49 HIS HB2 1 50 ILE H . . 3.610 2.948 2.694 3.079 . 0 0 "[ . 1 . 2]" 1
1140 1 49 HIS HB2 1 54 PRO HA . . 3.710 2.164 1.999 2.456 . 0 0 "[ . 1 . 2]" 1
1141 1 49 HIS HB2 1 54 PRO QB . . 4.550 3.918 3.707 4.223 . 0 0 "[ . 1 . 2]" 1
1142 1 49 HIS HB2 1 56 ARG H . . 4.720 4.075 3.775 4.582 . 0 0 "[ . 1 . 2]" 1
1143 1 49 HIS HB2 1 56 ARG QB . . 5.110 4.350 3.884 5.112 0.002 15 0 "[ . 1 . 2]" 1
1144 1 49 HIS HB2 1 57 LYS HA . . 4.080 3.913 3.656 4.079 . 0 0 "[ . 1 . 2]" 1
1145 1 49 HIS HB2 1 57 LYS HB2 . . 4.830 4.719 4.347 4.835 0.005 14 0 "[ . 1 . 2]" 1
1146 1 49 HIS HB2 1 57 LYS HB3 . . 3.950 3.336 3.065 3.475 . 0 0 "[ . 1 . 2]" 1
1147 1 49 HIS HB2 1 57 LYS QD . . 5.220 4.803 3.704 5.222 0.002 11 0 "[ . 1 . 2]" 1
1148 1 49 HIS HB2 1 57 LYS QG . . 5.310 5.144 4.796 5.311 0.001 7 0 "[ . 1 . 2]" 1
1149 1 49 HIS HB3 1 50 ILE H . . 3.990 3.969 3.863 3.995 0.005 15 0 "[ . 1 . 2]" 1
1150 1 49 HIS HB3 1 54 PRO HA . . 4.200 3.396 3.077 3.817 . 0 0 "[ . 1 . 2]" 1
1151 1 49 HIS HB3 1 57 LYS HA . . 3.880 3.095 2.704 3.285 . 0 0 "[ . 1 . 2]" 1
1152 1 49 HIS HB3 1 57 LYS HB2 . . 3.830 3.171 2.774 3.402 . 0 0 "[ . 1 . 2]" 1
1153 1 49 HIS HB3 1 57 LYS HB3 . . 3.650 2.091 1.998 2.250 . 0 0 "[ . 1 . 2]" 1
1154 1 49 HIS HB3 1 57 LYS QD . . 4.440 3.691 3.232 3.950 . 0 0 "[ . 1 . 2]" 1
1155 1 49 HIS HB3 1 57 LYS QG . . 4.610 4.230 4.091 4.413 . 0 0 "[ . 1 . 2]" 1
1156 1 49 HIS HB3 1 58 GLY H . . 5.130 4.972 4.599 5.133 0.003 9 0 "[ . 1 . 2]" 1
1157 1 49 HIS HD2 1 54 PRO HA . . 4.760 4.285 3.424 4.701 . 0 0 "[ . 1 . 2]" 1
1158 1 49 HIS HD2 1 54 PRO QB . . 4.750 4.400 3.486 4.729 . 0 0 "[ . 1 . 2]" 1
1159 1 49 HIS HD2 1 57 LYS QD . . 5.500 4.220 3.787 5.300 . 0 0 "[ . 1 . 2]" 1
1160 1 49 HIS HE1 1 51 GLU HA . . 4.780 3.864 3.511 4.231 . 0 0 "[ . 1 . 2]" 1
1161 1 50 ILE H 1 50 ILE HB . . 3.350 2.549 2.465 2.671 . 0 0 "[ . 1 . 2]" 1
1162 1 50 ILE H 1 50 ILE MD . . 3.880 3.186 2.898 3.548 . 0 0 "[ . 1 . 2]" 1
1163 1 50 ILE H 1 50 ILE HG12 . . 3.270 2.104 1.971 2.298 . 0 0 "[ . 1 . 2]" 1
1164 1 50 ILE H 1 50 ILE HG13 . . 3.790 3.565 3.329 3.772 . 0 0 "[ . 1 . 2]" 1
1165 1 50 ILE H 1 50 ILE MG . . 3.920 3.762 3.752 3.773 . 0 0 "[ . 1 . 2]" 1
1166 1 50 ILE H 1 51 GLU H . . 5.150 4.463 4.383 4.559 . 0 0 "[ . 1 . 2]" 1
1167 1 50 ILE H 1 54 PRO HA . . 4.860 4.534 4.084 4.784 . 0 0 "[ . 1 . 2]" 1
1168 1 50 ILE H 1 56 ARG QB . . 3.790 3.087 2.808 3.582 . 0 0 "[ . 1 . 2]" 1
1169 1 50 ILE H 1 56 ARG HD3 . . 5.500 4.656 3.857 4.941 . 0 0 "[ . 1 . 2]" 1
1170 1 50 ILE H 1 56 ARG HE . . 5.500 5.501 5.495 5.506 0.006 19 0 "[ . 1 . 2]" 1
1171 1 50 ILE H 1 57 LYS H . . 5.500 5.462 5.216 5.509 0.009 10 0 "[ . 1 . 2]" 1
1172 1 50 ILE H 1 57 LYS HA . . 4.210 3.972 3.530 4.137 . 0 0 "[ . 1 . 2]" 1
1173 1 50 ILE H 1 57 LYS HB3 . . 5.500 5.031 4.624 5.295 . 0 0 "[ . 1 . 2]" 1
1174 1 50 ILE HA 1 50 ILE MD . . 2.950 2.069 1.900 2.343 . 0 0 "[ . 1 . 2]" 1
1175 1 50 ILE HA 1 50 ILE HG12 . . 3.930 3.014 2.772 3.160 . 0 0 "[ . 1 . 2]" 1
1176 1 50 ILE HA 1 50 ILE MG . . 3.300 2.372 2.274 2.447 . 0 0 "[ . 1 . 2]" 1
1177 1 50 ILE HA 1 51 GLU H . . 3.000 2.145 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
1178 1 50 ILE HA 1 51 GLU HB2 . . 4.560 4.421 4.340 4.546 . 0 0 "[ . 1 . 2]" 1
1179 1 50 ILE HA 1 51 GLU HB3 . . 5.040 4.766 4.609 4.877 . 0 0 "[ . 1 . 2]" 1
1180 1 50 ILE HB 1 51 GLU H . . 5.030 4.313 4.187 4.410 . 0 0 "[ . 1 . 2]" 1
1181 1 50 ILE HB 1 56 ARG QB . . 3.600 2.979 2.700 3.486 . 0 0 "[ . 1 . 2]" 1
1182 1 50 ILE HB 1 56 ARG HD2 . . 5.500 4.768 2.975 5.158 . 0 0 "[ . 1 . 2]" 1
1183 1 50 ILE HB 1 56 ARG HD3 . . 4.630 3.164 2.007 3.453 . 0 0 "[ . 1 . 2]" 1
1184 1 50 ILE MD 1 50 ILE MG . . 2.830 2.006 1.892 2.269 . 0 0 "[ . 1 . 2]" 1
1185 1 50 ILE MD 1 51 GLU H . . 3.950 3.602 3.378 3.815 . 0 0 "[ . 1 . 2]" 1
1186 1 50 ILE MD 1 56 ARG QB . . 4.510 4.126 3.822 4.341 . 0 0 "[ . 1 . 2]" 1
1187 1 50 ILE MD 1 56 ARG HE . . 4.790 4.347 3.765 4.783 . 0 0 "[ . 1 . 2]" 1
1188 1 50 ILE HG13 1 50 ILE MG . . 3.720 2.331 2.142 2.513 . 0 0 "[ . 1 . 2]" 1
1189 1 50 ILE HG13 1 56 ARG QB . . 3.700 3.292 2.978 3.587 . 0 0 "[ . 1 . 2]" 1
1190 1 50 ILE HG13 1 56 ARG HD2 . . 4.850 4.578 3.657 4.853 0.003 19 0 "[ . 1 . 2]" 1
1191 1 50 ILE HG13 1 56 ARG HD3 . . 4.630 2.953 2.001 3.293 . 0 0 "[ . 1 . 2]" 1
1192 1 50 ILE HG13 1 56 ARG HE . . 4.790 3.242 2.769 4.011 . 0 0 "[ . 1 . 2]" 1
1193 1 50 ILE MG 1 51 GLU H . . 3.450 2.657 2.391 2.849 . 0 0 "[ . 1 . 2]" 1
1194 1 50 ILE MG 1 51 GLU HB3 . . 4.550 3.589 3.449 3.720 . 0 0 "[ . 1 . 2]" 1
1195 1 50 ILE MG 1 53 GLN HB2 . . 3.370 2.440 2.139 2.706 . 0 0 "[ . 1 . 2]" 1
1196 1 50 ILE MG 1 53 GLN HB3 . . 4.140 3.858 3.551 4.021 . 0 0 "[ . 1 . 2]" 1
1197 1 50 ILE MG 1 53 GLN HE21 . . 4.660 3.129 1.928 4.577 . 0 0 "[ . 1 . 2]" 1
1198 1 50 ILE MG 1 53 GLN QE . . 4.090 2.929 1.888 4.022 . 0 0 "[ . 1 . 2]" 1
1199 1 50 ILE MG 1 53 GLN HE22 . . 4.660 3.767 2.688 4.458 . 0 0 "[ . 1 . 2]" 1
1200 1 50 ILE MG 1 53 GLN QG . . 4.430 3.841 2.796 4.203 . 0 0 "[ . 1 . 2]" 1
1201 1 50 ILE MG 1 56 ARG QB . . 4.440 4.197 4.033 4.464 0.024 15 0 "[ . 1 . 2]" 1
1202 1 50 ILE MG 1 56 ARG HD2 . . 5.320 4.921 3.028 5.323 0.003 3 0 "[ . 1 . 2]" 1
1203 1 50 ILE MG 1 56 ARG HD3 . . 4.360 3.749 2.634 4.059 . 0 0 "[ . 1 . 2]" 1
1204 1 51 GLU H 1 51 GLU HB2 . . 3.520 2.308 2.234 2.422 . 0 0 "[ . 1 . 2]" 1
1205 1 51 GLU H 1 51 GLU HB3 . . 3.440 2.856 2.732 2.979 . 0 0 "[ . 1 . 2]" 1
1206 1 51 GLU H 1 51 GLU QG . . 4.320 3.894 3.833 3.973 . 0 0 "[ . 1 . 2]" 1
1207 1 51 GLU HA 1 51 GLU HG2 . . 3.970 2.516 2.267 3.061 . 0 0 "[ . 1 . 2]" 1
1208 1 51 GLU HA 1 51 GLU QG . . 3.420 2.357 2.240 2.490 . 0 0 "[ . 1 . 2]" 1
1209 1 51 GLU HA 1 51 GLU HG3 . . 3.970 3.299 2.480 3.663 . 0 0 "[ . 1 . 2]" 1
1210 1 53 GLN H 1 54 PRO HD2 . . 4.810 4.410 4.313 4.539 . 0 0 "[ . 1 . 2]" 1
1211 1 53 GLN H 1 54 PRO QD . . 4.090 3.631 3.506 3.803 . 0 0 "[ . 1 . 2]" 1
1212 1 53 GLN H 1 54 PRO HD3 . . 4.810 3.865 3.711 4.082 . 0 0 "[ . 1 . 2]" 1
1213 1 53 GLN HA 1 53 GLN HG2 . . 3.920 2.881 2.255 3.638 . 0 0 "[ . 1 . 2]" 1
1214 1 53 GLN HA 1 53 GLN QG . . 3.380 2.287 2.158 2.498 . 0 0 "[ . 1 . 2]" 1
1215 1 53 GLN HA 1 53 GLN HG3 . . 3.920 2.619 2.179 3.442 . 0 0 "[ . 1 . 2]" 1
1216 1 53 GLN HA 1 54 PRO HD2 . . 3.210 1.946 1.916 1.977 . 0 0 "[ . 1 . 2]" 1
1217 1 53 GLN HA 1 54 PRO QD . . 2.740 1.900 1.865 1.934 . 0 0 "[ . 1 . 2]" 1
1218 1 53 GLN HA 1 54 PRO HD3 . . 3.210 2.660 2.555 2.740 . 0 0 "[ . 1 . 2]" 1
1219 1 53 GLN HA 1 54 PRO HG2 . . 4.970 4.129 4.115 4.147 . 0 0 "[ . 1 . 2]" 1
1220 1 53 GLN HA 1 54 PRO HG3 . . 4.970 4.477 4.411 4.531 . 0 0 "[ . 1 . 2]" 1
1221 1 53 GLN HA 1 55 GLU H . . 4.090 3.557 3.443 3.775 . 0 0 "[ . 1 . 2]" 1
1222 1 53 GLN HB2 1 53 GLN QE . . 4.570 2.581 2.007 3.183 . 0 0 "[ . 1 . 2]" 1
1223 1 53 GLN HB2 1 53 GLN HE22 . . 5.310 3.719 3.336 4.176 . 0 0 "[ . 1 . 2]" 1
1224 1 53 GLN HB2 1 56 ARG HD2 . . 4.970 4.394 2.560 4.972 0.002 14 0 "[ . 1 . 2]" 1
1225 1 53 GLN HB2 1 56 ARG HD3 . . 4.440 3.488 2.374 4.095 . 0 0 "[ . 1 . 2]" 1
1226 1 53 GLN HB3 1 55 GLU H . . 4.100 4.011 3.780 4.112 0.012 12 0 "[ . 1 . 2]" 1
1227 1 53 GLN HB3 1 56 ARG H . . 4.740 3.212 2.839 3.655 . 0 0 "[ . 1 . 2]" 1
1228 1 53 GLN HB3 1 56 ARG HD2 . . 4.760 3.633 2.213 4.221 . 0 0 "[ . 1 . 2]" 1
1229 1 53 GLN HB3 1 56 ARG HD3 . . 4.340 3.159 2.003 3.781 . 0 0 "[ . 1 . 2]" 1
1230 1 53 GLN QE 1 56 ARG QG . . 5.150 4.570 3.202 5.165 0.015 11 0 "[ . 1 . 2]" 1
1231 1 53 GLN QG 1 54 PRO QD . . 4.640 3.592 3.431 3.861 . 0 0 "[ . 1 . 2]" 1
1232 1 54 PRO HA 1 56 ARG H . . 4.470 3.866 3.453 4.453 . 0 0 "[ . 1 . 2]" 1
1233 1 54 PRO QB 1 55 GLU H . . 3.790 3.141 2.980 3.265 . 0 0 "[ . 1 . 2]" 1
1234 1 54 PRO QB 1 55 GLU HA . . 3.980 3.960 3.889 4.010 0.030 10 0 "[ . 1 . 2]" 1
1235 1 54 PRO QD 1 55 GLU H . . 3.510 2.610 2.602 2.637 . 0 0 "[ . 1 . 2]" 1
1236 1 54 PRO QD 1 55 GLU QG . . 4.760 3.354 2.974 4.754 . 0 0 "[ . 1 . 2]" 1
1237 1 54 PRO HD2 1 55 GLU H . . 4.220 2.655 2.647 2.685 . 0 0 "[ . 1 . 2]" 1
1238 1 54 PRO HD3 1 55 GLU H . . 4.220 3.839 3.836 3.847 . 0 0 "[ . 1 . 2]" 1
1239 1 54 PRO QG 1 55 GLU H . . 3.490 2.270 2.068 2.439 . 0 0 "[ . 1 . 2]" 1
1240 1 54 PRO HG2 1 55 GLU H . . 4.300 2.287 2.079 2.462 . 0 0 "[ . 1 . 2]" 1
1241 1 54 PRO HG3 1 55 GLU H . . 4.300 3.820 3.665 3.950 . 0 0 "[ . 1 . 2]" 1
1242 1 55 GLU H 1 55 GLU HB2 . . 3.740 3.564 3.035 3.608 . 0 0 "[ . 1 . 2]" 1
1243 1 55 GLU H 1 55 GLU QB . . 3.090 2.546 2.313 2.868 . 0 0 "[ . 1 . 2]" 1
1244 1 55 GLU H 1 55 GLU HB3 . . 3.740 2.633 2.343 3.528 . 0 0 "[ . 1 . 2]" 1
1245 1 55 GLU H 1 55 GLU HG2 . . 4.210 2.177 1.890 3.289 . 0 0 "[ . 1 . 2]" 1
1246 1 55 GLU H 1 55 GLU QG . . 3.590 2.135 1.877 3.148 . 0 0 "[ . 1 . 2]" 1
1247 1 55 GLU H 1 55 GLU HG3 . . 4.210 3.232 2.417 4.018 . 0 0 "[ . 1 . 2]" 1
1248 1 55 GLU H 1 56 ARG H . . 3.210 2.846 2.700 3.209 . 0 0 "[ . 1 . 2]" 1
1249 1 55 GLU HA 1 55 GLU HG2 . . 4.100 3.692 3.484 3.833 . 0 0 "[ . 1 . 2]" 1
1250 1 55 GLU HA 1 55 GLU QG . . 3.550 3.325 3.237 3.379 . 0 0 "[ . 1 . 2]" 1
1251 1 55 GLU HA 1 55 GLU HG3 . . 4.100 3.794 3.640 4.172 0.072 15 0 "[ . 1 . 2]" 1
1252 1 55 GLU HA 1 57 LYS QE . . 4.280 3.579 2.905 4.237 . 0 0 "[ . 1 . 2]" 1
1253 1 55 GLU HA 1 57 LYS QG . . 5.280 4.753 4.149 5.281 0.001 14 0 "[ . 1 . 2]" 1
1254 1 55 GLU QG 1 56 ARG HD2 . . 5.340 3.913 3.313 4.975 . 0 0 "[ . 1 . 2]" 1
1255 1 55 GLU QG 1 56 ARG QG . . 3.860 2.208 1.917 3.835 . 0 0 "[ . 1 . 2]" 1
1256 1 55 GLU HG2 1 56 ARG H . . 4.410 2.897 2.073 3.844 . 0 0 "[ . 1 . 2]" 1
1257 1 55 GLU HG2 1 56 ARG QG . . 4.600 3.398 2.159 4.429 . 0 0 "[ . 1 . 2]" 1
1258 1 55 GLU HG3 1 56 ARG H . . 4.410 2.595 2.082 4.422 0.012 10 0 "[ . 1 . 2]" 1
1259 1 55 GLU HG3 1 56 ARG QG . . 4.600 2.344 1.967 4.449 . 0 0 "[ . 1 . 2]" 1
1260 1 56 ARG H 1 56 ARG QB . . 3.180 2.475 2.292 3.017 . 0 0 "[ . 1 . 2]" 1
1261 1 56 ARG H 1 56 ARG HD2 . . 5.010 4.621 3.948 5.013 0.003 19 0 "[ . 1 . 2]" 1
1262 1 56 ARG H 1 56 ARG HD3 . . 4.760 4.138 3.482 4.444 . 0 0 "[ . 1 . 2]" 1
1263 1 56 ARG H 1 56 ARG QG . . 3.560 2.483 1.816 2.980 . 0 0 "[ . 1 . 2]" 1
1264 1 56 ARG H 1 57 LYS H . . 4.480 4.288 4.214 4.406 . 0 0 "[ . 1 . 2]" 1
1265 1 56 ARG H 1 57 LYS HB3 . . 5.500 4.959 4.676 5.120 . 0 0 "[ . 1 . 2]" 1
1266 1 56 ARG HA 1 56 ARG QG . . 3.640 2.518 2.335 3.255 . 0 0 "[ . 1 . 2]" 1
1267 1 56 ARG HA 1 57 LYS H . . 2.780 2.157 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
1268 1 56 ARG HA 1 57 LYS QG . . 4.660 3.906 3.708 4.311 . 0 0 "[ . 1 . 2]" 1
1269 1 56 ARG QB 1 56 ARG HD2 . . 3.730 3.252 3.216 3.295 . 0 0 "[ . 1 . 2]" 1
1270 1 56 ARG QB 1 56 ARG HD3 . . 3.770 2.277 2.071 2.705 . 0 0 "[ . 1 . 2]" 1
1271 1 56 ARG QB 1 56 ARG HE . . 3.920 2.621 1.901 2.937 . 0 0 "[ . 1 . 2]" 1
1272 1 56 ARG QB 1 57 LYS H . . 3.610 3.524 3.396 3.604 . 0 0 "[ . 1 . 2]" 1
1273 1 56 ARG HE 1 56 ARG QG . . 3.720 3.064 2.510 3.377 . 0 0 "[ . 1 . 2]" 1
1274 1 56 ARG QG 1 57 LYS H . . 5.010 4.304 4.061 4.573 . 0 0 "[ . 1 . 2]" 1
1275 1 57 LYS H 1 57 LYS HB3 . . 3.770 3.327 3.186 3.412 . 0 0 "[ . 1 . 2]" 1
1276 1 57 LYS H 1 57 LYS QD . . 4.740 4.077 1.965 4.433 . 0 0 "[ . 1 . 2]" 1
1277 1 57 LYS H 1 57 LYS QE . . 4.770 4.021 3.320 4.605 . 0 0 "[ . 1 . 2]" 1
1278 1 57 LYS H 1 57 LYS QG . . 3.220 2.284 2.204 2.489 . 0 0 "[ . 1 . 2]" 1
1279 1 57 LYS H 1 58 GLY H . . 4.810 4.098 4.054 4.152 . 0 0 "[ . 1 . 2]" 1
1280 1 57 LYS HA 1 58 GLY H . . 3.020 2.145 2.144 2.147 . 0 0 "[ . 1 . 2]" 1
1281 1 57 LYS HA 1 58 GLY HA2 . . 5.100 4.390 4.383 4.405 . 0 0 "[ . 1 . 2]" 1
1282 1 57 LYS HB2 1 58 GLY H . . 3.580 3.510 3.412 3.577 . 0 0 "[ . 1 . 2]" 1
1283 1 57 LYS HB3 1 58 GLY H . . 4.890 4.301 4.204 4.397 . 0 0 "[ . 1 . 2]" 1
1284 1 57 LYS QE 1 57 LYS QG . . 3.090 2.188 2.027 2.499 . 0 0 "[ . 1 . 2]" 1
1285 1 57 LYS QG 1 58 GLY H . . 4.560 4.261 4.032 4.451 . 0 0 "[ . 1 . 2]" 1
1286 1 58 GLY H 1 59 VAL H . . 4.980 4.365 4.278 4.402 . 0 0 "[ . 1 . 2]" 1
1287 1 58 GLY HA2 1 59 VAL H . . 3.380 2.332 2.205 2.483 . 0 0 "[ . 1 . 2]" 1
1288 1 58 GLY HA2 1 59 VAL HA . . 5.440 4.306 4.298 4.316 . 0 0 "[ . 1 . 2]" 1
1289 1 58 GLY HA3 1 59 VAL H . . 3.250 2.834 2.646 3.021 . 0 0 "[ . 1 . 2]" 1
1290 1 59 VAL H 1 59 VAL HB . . 3.610 2.539 2.389 2.700 . 0 0 "[ . 1 . 2]" 1
1291 1 59 VAL H 1 59 VAL MG1 . . 3.300 2.170 1.933 2.386 . 0 0 "[ . 1 . 2]" 1
1292 1 59 VAL H 1 59 VAL MG2 . . 3.930 3.763 3.732 3.784 . 0 0 "[ . 1 . 2]" 1
1293 1 59 VAL H 1 60 PHE H . . 5.180 4.615 4.583 4.633 . 0 0 "[ . 1 . 2]" 1
1294 1 59 VAL HA 1 59 VAL MG1 . . 3.690 3.197 3.182 3.204 . 0 0 "[ . 1 . 2]" 1
1295 1 59 VAL HA 1 59 VAL MG2 . . 3.370 2.300 2.125 2.407 . 0 0 "[ . 1 . 2]" 1
1296 1 59 VAL HA 1 60 PHE H . . 3.060 2.235 2.187 2.320 . 0 0 "[ . 1 . 2]" 1
1297 1 59 VAL HB 1 60 PHE H . . 4.120 4.039 3.946 4.123 0.003 12 0 "[ . 1 . 2]" 1
1298 1 59 VAL MG1 1 60 PHE H . . 4.170 3.690 3.390 3.899 . 0 0 "[ . 1 . 2]" 1
1299 1 59 VAL MG2 1 60 PHE H . . 3.690 2.058 1.867 2.298 . 0 0 "[ . 1 . 2]" 1
1300 1 59 VAL MG2 1 60 PHE HA . . 4.190 3.527 3.312 3.678 . 0 0 "[ . 1 . 2]" 1
1301 1 59 VAL MG2 1 60 PHE QD . . 4.660 4.097 3.818 4.310 . 0 0 "[ . 1 . 2]" 1
1302 1 60 PHE H 1 60 PHE QD . . 4.410 2.634 2.320 2.923 . 0 0 "[ . 1 . 2]" 1
1303 1 60 PHE H 1 61 PRO HA . . 5.500 4.967 4.856 5.057 . 0 0 "[ . 1 . 2]" 1
1304 1 60 PHE H 1 61 PRO HD3 . . 5.500 4.823 4.730 4.892 . 0 0 "[ . 1 . 2]" 1
1305 1 60 PHE HA 1 61 PRO HD2 . . 3.400 2.339 2.278 2.405 . 0 0 "[ . 1 . 2]" 1
1306 1 60 PHE HA 1 61 PRO HD3 . . 3.120 2.278 2.263 2.300 . 0 0 "[ . 1 . 2]" 1
1307 1 60 PHE HA 1 61 PRO HG2 . . 5.310 4.463 4.414 4.516 . 0 0 "[ . 1 . 2]" 1
1308 1 60 PHE HA 1 61 PRO HG3 . . 5.500 4.436 4.404 4.473 . 0 0 "[ . 1 . 2]" 1
1309 1 60 PHE QB 1 61 PRO HD2 . . 3.320 2.117 2.001 2.249 . 0 0 "[ . 1 . 2]" 1
1310 1 60 PHE QB 1 61 PRO HD3 . . 3.510 3.408 3.310 3.508 . 0 0 "[ . 1 . 2]" 1
1311 1 60 PHE QD 1 62 VAL HA . . 3.810 3.661 3.476 3.816 0.006 11 0 "[ . 1 . 2]" 1
1312 1 60 PHE QD 1 65 VAL MG1 . . 3.290 2.162 1.964 2.461 . 0 0 "[ . 1 . 2]" 1
1313 1 60 PHE QD 1 65 VAL MG2 . . 3.170 2.867 2.554 3.167 . 0 0 "[ . 1 . 2]" 1
1314 1 60 PHE QE 1 65 VAL MG1 . . 4.470 2.339 1.983 2.855 . 0 0 "[ . 1 . 2]" 1
1315 1 61 PRO HA 1 62 VAL H . . 2.780 2.158 2.151 2.182 . 0 0 "[ . 1 . 2]" 1
1316 1 61 PRO HA 1 62 VAL HA . . 4.480 4.413 4.375 4.457 . 0 0 "[ . 1 . 2]" 1
1317 1 61 PRO HA 1 62 VAL MG2 . . 4.100 3.701 3.589 3.863 . 0 0 "[ . 1 . 2]" 1
1318 1 61 PRO HA 1 63 SER H . . 4.610 3.591 3.436 3.835 . 0 0 "[ . 1 . 2]" 1
1319 1 61 PRO HA 1 64 PHE H . . 5.260 4.578 4.423 4.774 . 0 0 "[ . 1 . 2]" 1
1320 1 61 PRO HB2 1 62 VAL H . . 4.260 3.694 3.459 3.894 . 0 0 "[ . 1 . 2]" 1
1321 1 61 PRO HB2 1 63 SER H . . 3.850 2.903 2.455 3.291 . 0 0 "[ . 1 . 2]" 1
1322 1 61 PRO HB2 1 64 PHE H . . 3.780 2.980 2.655 3.133 . 0 0 "[ . 1 . 2]" 1
1323 1 61 PRO HB2 1 64 PHE HB2 . . 4.640 3.313 3.129 3.520 . 0 0 "[ . 1 . 2]" 1
1324 1 61 PRO HB2 1 64 PHE QD . . 4.010 2.489 2.094 2.971 . 0 0 "[ . 1 . 2]" 1
1325 1 61 PRO HB2 1 64 PHE QE . . 4.820 3.757 3.254 4.117 . 0 0 "[ . 1 . 2]" 1
1326 1 61 PRO HB3 1 62 VAL H . . 4.440 4.113 3.952 4.257 . 0 0 "[ . 1 . 2]" 1
1327 1 61 PRO HB3 1 63 SER H . . 4.610 4.200 3.895 4.499 . 0 0 "[ . 1 . 2]" 1
1328 1 61 PRO HB3 1 64 PHE H . . 4.820 4.684 4.387 4.819 . 0 0 "[ . 1 . 2]" 1
1329 1 61 PRO HB3 1 64 PHE QD . . 5.370 3.986 3.574 4.434 . 0 0 "[ . 1 . 2]" 1
1330 1 61 PRO HD2 1 64 PHE QD . . 4.860 4.690 4.410 4.851 . 0 0 "[ . 1 . 2]" 1
1331 1 61 PRO HG2 1 64 PHE H . . 3.910 3.402 3.139 3.606 . 0 0 "[ . 1 . 2]" 1
1332 1 61 PRO HG2 1 64 PHE HB2 . . 4.060 2.017 1.997 2.070 . 0 0 "[ . 1 . 2]" 1
1333 1 61 PRO HG2 1 64 PHE HB3 . . 4.550 3.396 3.260 3.521 . 0 0 "[ . 1 . 2]" 1
1334 1 61 PRO HG2 1 64 PHE QD . . 3.970 2.947 2.582 3.193 . 0 0 "[ . 1 . 2]" 1
1335 1 61 PRO HG2 1 64 PHE QE . . 4.810 4.152 3.769 4.357 . 0 0 "[ . 1 . 2]" 1
1336 1 61 PRO HG2 1 64 PHE HZ . . 5.500 5.260 4.856 5.452 . 0 0 "[ . 1 . 2]" 1
1337 1 61 PRO HG3 1 64 PHE QE . . 4.560 3.902 3.310 4.184 . 0 0 "[ . 1 . 2]" 1
1338 1 61 PRO HG3 1 64 PHE HZ . . 5.500 4.678 4.058 4.956 . 0 0 "[ . 1 . 2]" 1
1339 1 62 VAL H 1 62 VAL HB . . 3.160 2.569 2.466 2.663 . 0 0 "[ . 1 . 2]" 1
1340 1 62 VAL H 1 62 VAL MG1 . . 3.770 3.764 3.759 3.768 . 0 0 "[ . 1 . 2]" 1
1341 1 62 VAL H 1 62 VAL MG2 . . 3.090 2.088 1.900 2.342 . 0 0 "[ . 1 . 2]" 1
1342 1 62 VAL H 1 63 SER H . . 3.480 2.653 2.550 2.807 . 0 0 "[ . 1 . 2]" 1
1343 1 62 VAL HA 1 62 VAL MG1 . . 3.300 2.319 2.244 2.430 . 0 0 "[ . 1 . 2]" 1
1344 1 62 VAL HA 1 62 VAL MG2 . . 3.270 2.379 2.268 2.479 . 0 0 "[ . 1 . 2]" 1
1345 1 62 VAL HA 1 64 PHE H . . 4.150 3.562 3.416 3.908 . 0 0 "[ . 1 . 2]" 1
1346 1 62 VAL HA 1 65 VAL H . . 4.300 3.206 3.007 3.935 . 0 0 "[ . 1 . 2]" 1
1347 1 62 VAL HA 1 65 VAL MG1 . . 4.130 3.503 3.326 3.742 . 0 0 "[ . 1 . 2]" 1
1348 1 62 VAL HA 1 65 VAL MG2 . . 3.040 2.023 1.878 2.197 . 0 0 "[ . 1 . 2]" 1
1349 1 62 VAL HB 1 63 SER H . . 3.570 3.003 2.698 3.430 . 0 0 "[ . 1 . 2]" 1
1350 1 62 VAL MG1 1 63 SER H . . 3.940 3.777 3.527 3.940 0.000 6 0 "[ . 1 . 2]" 1
1351 1 62 VAL MG1 1 63 SER HA . . 4.360 3.751 3.607 3.894 . 0 0 "[ . 1 . 2]" 1
1352 1 62 VAL MG1 1 65 VAL MG2 . . 3.330 2.412 2.214 2.611 . 0 0 "[ . 1 . 2]" 1
1353 1 62 VAL MG1 1 67 ILE MD . . 4.320 3.635 3.038 4.041 . 0 0 "[ . 1 . 2]" 1
1354 1 62 VAL MG2 1 63 SER H . . 4.250 3.940 3.807 4.132 . 0 0 "[ . 1 . 2]" 1
1355 1 62 VAL MG2 1 65 VAL MG2 . . 3.470 3.298 3.052 3.453 . 0 0 "[ . 1 . 2]" 1
1356 1 62 VAL MG2 1 67 ILE MD . . 5.080 4.954 4.670 5.082 0.002 9 0 "[ . 1 . 2]" 1
1357 1 63 SER H 1 63 SER HB2 . . 3.600 2.614 2.195 3.610 0.010 5 0 "[ . 1 . 2]" 1
1358 1 63 SER H 1 63 SER QB . . 3.040 2.315 2.173 2.600 . 0 0 "[ . 1 . 2]" 1
1359 1 63 SER H 1 63 SER HB3 . . 3.600 2.970 2.425 3.616 0.016 6 0 "[ . 1 . 2]" 1
1360 1 63 SER H 1 64 PHE H . . 3.470 2.576 2.372 2.730 . 0 0 "[ . 1 . 2]" 1
1361 1 63 SER H 1 64 PHE QD . . 4.910 3.704 3.169 4.203 . 0 0 "[ . 1 . 2]" 1
1362 1 63 SER H 1 65 VAL H . . 4.850 4.078 3.852 4.271 . 0 0 "[ . 1 . 2]" 1
1363 1 63 SER HA 1 64 PHE QD . . 5.500 4.438 4.114 4.870 . 0 0 "[ . 1 . 2]" 1
1364 1 63 SER HA 1 65 VAL H . . 4.230 3.987 3.580 4.216 . 0 0 "[ . 1 . 2]" 1
1365 1 63 SER QB 1 64 PHE QD . . 4.690 2.688 2.215 3.510 . 0 0 "[ . 1 . 2]" 1
1366 1 64 PHE H 1 64 PHE HB2 . . 3.130 2.315 2.212 2.431 . 0 0 "[ . 1 . 2]" 1
1367 1 64 PHE H 1 64 PHE HB3 . . 3.720 3.569 3.508 3.650 . 0 0 "[ . 1 . 2]" 1
1368 1 64 PHE H 1 64 PHE QD . . 3.600 2.536 2.139 2.742 . 0 0 "[ . 1 . 2]" 1
1369 1 64 PHE H 1 65 VAL H . . 3.100 2.202 2.060 2.456 . 0 0 "[ . 1 . 2]" 1
1370 1 64 PHE H 1 65 VAL MG1 . . 4.050 3.574 3.268 3.982 . 0 0 "[ . 1 . 2]" 1
1371 1 64 PHE H 1 65 VAL MG2 . . 4.120 3.708 3.398 3.918 . 0 0 "[ . 1 . 2]" 1
1372 1 64 PHE HA 1 64 PHE QD . . 3.830 2.841 2.630 3.021 . 0 0 "[ . 1 . 2]" 1
1373 1 64 PHE HB2 1 65 VAL H . . 4.460 3.287 2.972 3.940 . 0 0 "[ . 1 . 2]" 1
1374 1 64 PHE HB2 1 65 VAL MG1 . . 4.180 3.035 2.871 3.141 . 0 0 "[ . 1 . 2]" 1
1375 1 64 PHE HB3 1 65 VAL H . . 4.610 3.875 3.546 4.337 . 0 0 "[ . 1 . 2]" 1
1376 1 64 PHE HB3 1 65 VAL MG1 . . 4.280 3.276 3.118 3.548 . 0 0 "[ . 1 . 2]" 1
1377 1 65 VAL H 1 65 VAL MG1 . . 3.510 2.533 2.275 2.983 . 0 0 "[ . 1 . 2]" 1
1378 1 65 VAL H 1 65 VAL MG2 . . 3.060 2.259 2.105 2.432 . 0 0 "[ . 1 . 2]" 1
1379 1 65 VAL H 1 66 HIS H . . 4.600 4.496 4.403 4.528 . 0 0 "[ . 1 . 2]" 1
1380 1 65 VAL HA 1 65 VAL MG1 . . 3.260 2.468 2.355 2.570 . 0 0 "[ . 1 . 2]" 1
1381 1 65 VAL HA 1 66 HIS H . . 3.000 2.398 2.320 2.476 . 0 0 "[ . 1 . 2]" 1
1382 1 65 VAL HA 1 66 HIS HA . . 5.030 4.464 4.424 4.507 . 0 0 "[ . 1 . 2]" 1
1383 1 65 VAL HB 1 66 HIS H . . 3.170 2.455 2.299 2.611 . 0 0 "[ . 1 . 2]" 1
1384 1 65 VAL HB 1 66 HIS HA . . 5.050 4.564 4.468 4.650 . 0 0 "[ . 1 . 2]" 1
1385 1 65 VAL MG1 1 66 HIS H . . 3.880 3.827 3.738 3.880 . 0 0 "[ . 1 . 2]" 1
1386 1 65 VAL MG2 1 66 HIS H . . 3.630 3.205 2.886 3.467 . 0 0 "[ . 1 . 2]" 1
1387 1 65 VAL MG2 1 66 HIS HA . . 4.710 3.524 3.220 3.720 . 0 0 "[ . 1 . 2]" 1
1388 1 65 VAL MG2 1 66 HIS QB . . 5.340 4.550 4.348 4.717 . 0 0 "[ . 1 . 2]" 1
1389 1 66 HIS H 1 66 HIS HB2 . . 3.930 3.883 3.816 3.940 0.010 11 0 "[ . 1 . 2]" 1
1390 1 66 HIS H 1 66 HIS QB . . 3.340 2.841 2.690 2.943 . 0 0 "[ . 1 . 2]" 1
1391 1 66 HIS H 1 66 HIS HB3 . . 3.930 2.921 2.749 3.038 . 0 0 "[ . 1 . 2]" 1
1392 1 66 HIS H 1 66 HIS HD2 . . 5.330 3.194 2.148 5.257 . 0 0 "[ . 1 . 2]" 1
1393 1 66 HIS H 1 67 ILE H . . 4.570 4.220 4.149 4.357 . 0 0 "[ . 1 . 2]" 1
1394 1 66 HIS HA 1 66 HIS HD2 . . 4.360 4.324 4.243 4.385 0.025 7 0 "[ . 1 . 2]" 1
1395 1 66 HIS HA 1 67 ILE H . . 2.830 2.148 2.139 2.201 . 0 0 "[ . 1 . 2]" 1
1396 1 66 HIS HA 1 67 ILE HB . . 4.980 4.685 4.560 4.827 . 0 0 "[ . 1 . 2]" 1
1397 1 66 HIS HA 1 67 ILE MD . . 5.500 4.603 2.836 5.102 . 0 0 "[ . 1 . 2]" 1
1398 1 66 HIS HA 1 67 ILE HG12 . . 5.500 5.142 3.773 5.507 0.007 16 0 "[ . 1 . 2]" 1
1399 1 66 HIS HA 1 67 ILE HG13 . . 5.500 3.921 3.679 5.492 . 0 0 "[ . 1 . 2]" 1
1400 1 66 HIS QB 1 67 ILE H . . 3.740 3.343 3.094 3.409 . 0 0 "[ . 1 . 2]" 1
1401 1 66 HIS HB2 1 67 ILE H . . 4.460 3.460 3.172 3.538 . 0 0 "[ . 1 . 2]" 1
1402 1 66 HIS HB3 1 67 ILE H . . 4.460 4.430 4.300 4.463 0.003 6 0 "[ . 1 . 2]" 1
1403 1 66 HIS HD2 1 67 ILE H . . 5.340 4.995 3.952 5.344 0.004 14 0 "[ . 1 . 2]" 1
1404 1 66 HIS HD2 1 68 LEU MD2 . . 4.300 3.673 3.206 4.187 . 0 0 "[ . 1 . 2]" 1
1405 1 66 HIS HE1 1 68 LEU MD2 . . 3.800 2.854 2.082 3.775 . 0 0 "[ . 1 . 2]" 1
1406 1 67 ILE H 1 67 ILE HB . . 3.020 2.605 2.487 2.717 . 0 0 "[ . 1 . 2]" 1
1407 1 67 ILE H 1 67 ILE MD . . 3.550 3.160 1.814 3.550 0.000 13 0 "[ . 1 . 2]" 1
1408 1 67 ILE H 1 67 ILE HG12 . . 3.790 3.303 1.969 3.727 . 0 0 "[ . 1 . 2]" 1
1409 1 67 ILE H 1 67 ILE QG . . 3.190 2.075 1.880 2.680 . 0 0 "[ . 1 . 2]" 1
1410 1 67 ILE H 1 67 ILE HG13 . . 3.790 2.175 1.899 3.534 . 0 0 "[ . 1 . 2]" 1
1411 1 67 ILE H 1 67 ILE MG . . 4.080 3.762 3.751 3.771 . 0 0 "[ . 1 . 2]" 1
1412 1 67 ILE H 1 68 LEU H . . 4.950 4.496 4.406 4.569 . 0 0 "[ . 1 . 2]" 1
1413 1 67 ILE HA 1 67 ILE MD . . 4.120 3.707 2.120 3.895 . 0 0 "[ . 1 . 2]" 1
1414 1 67 ILE HA 1 67 ILE HG12 . . 4.020 2.775 2.530 3.571 . 0 0 "[ . 1 . 2]" 1
1415 1 67 ILE HA 1 67 ILE QG . . 3.490 2.461 2.386 3.071 . 0 0 "[ . 1 . 2]" 1
1416 1 67 ILE HA 1 67 ILE HG13 . . 4.020 2.924 2.445 3.710 . 0 0 "[ . 1 . 2]" 1
1417 1 67 ILE HA 1 67 ILE MG . . 3.200 2.373 2.220 2.473 . 0 0 "[ . 1 . 2]" 1
1418 1 67 ILE HA 1 68 LEU H . . 2.810 2.145 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
1419 1 67 ILE HA 1 68 LEU HG . . 4.180 3.786 3.526 4.190 0.010 14 0 "[ . 1 . 2]" 1
1420 1 67 ILE HB 1 67 ILE MD . . 3.290 2.372 2.076 3.223 . 0 0 "[ . 1 . 2]" 1
1421 1 67 ILE HB 1 68 LEU H . . 4.270 4.235 4.067 4.274 0.004 20 0 "[ . 1 . 2]" 1
1422 1 67 ILE MD 1 68 LEU H . . 5.340 5.115 3.712 5.320 . 0 0 "[ . 1 . 2]" 1
1423 1 67 ILE QG 1 68 LEU H . . 5.050 4.232 4.055 4.693 . 0 0 "[ . 1 . 2]" 1
1424 1 67 ILE HG12 1 67 ILE MG . . 3.480 2.280 1.996 3.190 . 0 0 "[ . 1 . 2]" 1
1425 1 67 ILE HG13 1 67 ILE MG . . 3.480 3.067 2.342 3.200 . 0 0 "[ . 1 . 2]" 1
1426 1 67 ILE MG 1 68 LEU H . . 3.230 2.617 2.436 2.823 . 0 0 "[ . 1 . 2]" 1
1427 1 68 LEU H 1 68 LEU HB2 . . 3.320 2.554 2.297 2.692 . 0 0 "[ . 1 . 2]" 1
1428 1 68 LEU H 1 68 LEU HB3 . . 3.890 3.594 3.554 3.621 . 0 0 "[ . 1 . 2]" 1
1429 1 68 LEU H 1 68 LEU MD1 . . 3.940 3.240 3.103 3.564 . 0 0 "[ . 1 . 2]" 1
1430 1 68 LEU H 1 68 LEU MD2 . . 4.350 3.582 3.241 3.846 . 0 0 "[ . 1 . 2]" 1
1431 1 68 LEU H 1 68 LEU HG . . 3.560 2.186 1.911 2.681 . 0 0 "[ . 1 . 2]" 1
1432 1 68 LEU HA 1 68 LEU MD1 . . 4.440 3.949 3.868 3.995 . 0 0 "[ . 1 . 2]" 1
1433 1 68 LEU HA 1 68 LEU MD2 . . 3.000 2.455 2.047 2.683 . 0 0 "[ . 1 . 2]" 1
1434 1 68 LEU HA 1 68 LEU HG . . 4.210 2.959 2.776 3.157 . 0 0 "[ . 1 . 2]" 1
1435 1 68 LEU HB2 1 68 LEU MD1 . . 2.930 2.160 1.988 2.329 . 0 0 "[ . 1 . 2]" 1
1436 1 68 LEU HB3 1 68 LEU MD1 . . 3.270 2.570 2.364 2.688 . 0 0 "[ . 1 . 2]" 1
1437 1 72 GLY QA 1 73 PRO QG . . 5.010 3.730 3.659 3.850 . 0 0 "[ . 1 . 2]" 1
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