NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451305 |
2rol   |
11040 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rol
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 1655
_Distance_constraint_stats_list.Viol_count 3206
_Distance_constraint_stats_list.Viol_total 2822.710
_Distance_constraint_stats_list.Viol_max 0.256
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0440
_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 5 THR 0.002 0.002 1 0 "[ . 1 . 2]"
1 6 ALA 0.016 0.016 1 0 "[ . 1 . 2]"
1 7 GLY 1.738 0.256 16 0 "[ . 1 . 2]"
1 8 LYS 4.038 0.157 7 0 "[ . 1 . 2]"
1 9 TRP 5.501 0.157 7 0 "[ . 1 . 2]"
1 10 VAL 1.280 0.065 19 0 "[ . 1 . 2]"
1 11 LEU 4.339 0.144 11 0 "[ . 1 . 2]"
1 12 CYS 6.218 0.105 4 0 "[ . 1 . 2]"
1 13 ASN 3.317 0.126 16 0 "[ . 1 . 2]"
1 14 TYR 2.130 0.060 12 0 "[ . 1 . 2]"
1 15 ASP 3.479 0.101 14 0 "[ . 1 . 2]"
1 16 PHE 3.022 0.066 4 0 "[ . 1 . 2]"
1 17 GLN 1.660 0.105 5 0 "[ . 1 . 2]"
1 18 ALA 4.800 0.124 2 0 "[ . 1 . 2]"
1 19 ARG 2.565 0.098 12 0 "[ . 1 . 2]"
1 20 ASN 5.366 0.246 13 0 "[ . 1 . 2]"
1 21 SER 1.464 0.136 13 0 "[ . 1 . 2]"
1 22 SER 2.855 0.133 17 0 "[ . 1 . 2]"
1 23 GLU 6.766 0.246 13 0 "[ . 1 . 2]"
1 24 LEU 9.561 0.231 11 0 "[ . 1 . 2]"
1 25 SER 2.001 0.071 11 0 "[ . 1 . 2]"
1 26 VAL 4.493 0.118 11 0 "[ . 1 . 2]"
1 27 LYS 1.945 0.101 14 0 "[ . 1 . 2]"
1 28 GLN 7.667 0.150 14 0 "[ . 1 . 2]"
1 29 ARG 4.134 0.105 4 0 "[ . 1 . 2]"
1 30 ASP 7.237 0.144 11 0 "[ . 1 . 2]"
1 31 VAL 0.507 0.063 11 0 "[ . 1 . 2]"
1 32 LEU 8.839 0.192 16 0 "[ . 1 . 2]"
1 33 GLU 0.108 0.026 11 0 "[ . 1 . 2]"
1 34 VAL 9.964 0.256 16 0 "[ . 1 . 2]"
1 35 LEU 4.663 0.102 8 0 "[ . 1 . 2]"
1 36 ASP 4.945 0.129 5 0 "[ . 1 . 2]"
1 37 ASP 2.743 0.134 14 0 "[ . 1 . 2]"
1 38 SER 2.446 0.168 16 0 "[ . 1 . 2]"
1 39 ARG 2.847 0.168 16 0 "[ . 1 . 2]"
1 40 LYS 3.249 0.089 8 0 "[ . 1 . 2]"
1 41 TRP 4.656 0.118 2 0 "[ . 1 . 2]"
1 42 TRP 9.640 0.253 13 0 "[ . 1 . 2]"
1 43 LYS 10.559 0.158 12 0 "[ . 1 . 2]"
1 44 VAL 10.075 0.158 12 0 "[ . 1 . 2]"
1 45 ARG 5.162 0.092 7 0 "[ . 1 . 2]"
1 46 ASP 13.472 0.192 16 0 "[ . 1 . 2]"
1 47 PRO 5.145 0.136 16 0 "[ . 1 . 2]"
1 48 ALA 2.607 0.057 6 0 "[ . 1 . 2]"
1 49 GLY 4.833 0.178 4 0 "[ . 1 . 2]"
1 50 GLN 9.147 0.178 4 0 "[ . 1 . 2]"
1 51 GLU 5.435 0.142 11 0 "[ . 1 . 2]"
1 52 GLY 2.354 0.091 19 0 "[ . 1 . 2]"
1 53 TYR 4.983 0.159 17 0 "[ . 1 . 2]"
1 54 VAL 2.139 0.058 14 0 "[ . 1 . 2]"
1 55 PRO 4.928 0.100 16 0 "[ . 1 . 2]"
1 56 TYR 6.833 0.147 11 0 "[ . 1 . 2]"
1 57 ASN 2.748 0.093 11 0 "[ . 1 . 2]"
1 58 ILE 5.694 0.150 14 0 "[ . 1 . 2]"
1 59 LEU 4.363 0.147 11 0 "[ . 1 . 2]"
1 60 THR 3.657 0.126 16 0 "[ . 1 . 2]"
1 61 PRO 1.284 0.091 19 0 "[ . 1 . 2]"
1 62 TYR 1.528 0.065 19 0 "[ . 1 . 2]"
1 63 PRO 0.184 0.061 11 0 "[ . 1 . 2]"
1 64 GLY 0.090 0.061 11 0 "[ . 1 . 2]"
2 1 PRO 0.012 0.012 12 0 "[ . 1 . 2]"
2 2 PRO 0.180 0.054 17 0 "[ . 1 . 2]"
2 3 VAL 3.186 0.118 2 0 "[ . 1 . 2]"
2 4 PRO 2.814 0.144 4 0 "[ . 1 . 2]"
2 5 ASN 1.726 0.089 8 0 "[ . 1 . 2]"
2 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ASP 1.015 0.083 13 0 "[ . 1 . 2]"
2 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 PRO 0.458 0.073 5 0 "[ . 1 . 2]"
2 11 ILE 5.118 0.177 18 0 "[ . 1 . 2]"
2 12 ARG 3.357 0.177 18 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 5 THR HA 1 5 THR MG . . 3.270 2.412 2.239 3.272 0.002 1 0 "[ . 1 . 2]" 1
2 1 6 ALA HA 1 7 GLY H . . 3.550 2.667 2.159 3.566 0.016 1 0 "[ . 1 . 2]" 1
3 1 6 ALA MB 1 7 GLY H . . 4.300 3.113 2.291 3.793 . 0 0 "[ . 1 . 2]" 1
4 1 6 ALA MB 1 7 GLY QA . . 4.220 3.885 3.599 4.135 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY H 1 8 LYS H . . 4.620 4.035 2.624 4.646 0.026 20 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 8 LYS H . . 2.980 2.201 2.078 2.296 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY QA 1 8 LYS HB2 . . 4.320 3.812 3.696 3.953 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY QA 1 8 LYS QD . . 5.500 4.841 4.277 5.530 0.030 19 0 "[ . 1 . 2]" 1
9 1 7 GLY QA 1 33 GLU HG2 . . 5.460 4.751 4.278 5.302 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY QA 1 33 GLU HG3 . . 5.010 4.476 3.935 5.029 0.019 4 0 "[ . 1 . 2]" 1
11 1 7 GLY QA 1 34 VAL HB . . 4.510 3.579 2.528 4.766 0.256 16 0 "[ . 1 . 2]" 1
12 1 7 GLY QA 1 34 VAL QG . . 3.600 2.857 2.023 3.398 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY QA 1 35 LEU HA . . 4.550 3.327 3.099 3.435 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY QA 1 35 LEU HB3 . . 5.500 5.471 5.237 5.571 0.071 6 0 "[ . 1 . 2]" 1
15 1 8 LYS H 1 8 LYS HB2 . . 3.460 3.224 3.116 3.334 . 0 0 "[ . 1 . 2]" 1
16 1 8 LYS H 1 8 LYS HB3 . . 3.920 3.438 3.262 3.786 . 0 0 "[ . 1 . 2]" 1
17 1 8 LYS H 1 8 LYS HG2 . . 5.380 5.216 4.778 5.338 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS H 1 8 LYS QG . . 4.580 4.414 4.176 4.509 . 0 0 "[ . 1 . 2]" 1
19 1 8 LYS H 1 8 LYS HG3 . . 5.380 4.768 4.607 4.865 . 0 0 "[ . 1 . 2]" 1
20 1 8 LYS H 1 9 TRP H . . 4.410 4.349 4.316 4.384 . 0 0 "[ . 1 . 2]" 1
21 1 8 LYS H 1 9 TRP HZ3 . . 5.500 5.471 5.136 5.612 0.112 3 0 "[ . 1 . 2]" 1
22 1 8 LYS H 1 33 GLU HG2 . . 5.500 4.869 4.161 5.347 . 0 0 "[ . 1 . 2]" 1
23 1 8 LYS H 1 34 VAL H . . 4.140 2.938 2.761 3.155 . 0 0 "[ . 1 . 2]" 1
24 1 8 LYS H 1 34 VAL HB . . 4.680 3.005 2.035 4.423 . 0 0 "[ . 1 . 2]" 1
25 1 8 LYS H 1 34 VAL QG . . 4.860 2.907 1.813 3.508 . 0 0 "[ . 1 . 2]" 1
26 1 8 LYS H 1 35 LEU HA . . 5.210 5.080 4.827 5.272 0.062 16 0 "[ . 1 . 2]" 1
27 1 8 LYS HA 1 8 LYS HG2 . . 4.160 3.468 2.284 3.676 . 0 0 "[ . 1 . 2]" 1
28 1 8 LYS HA 1 8 LYS HG3 . . 4.160 2.426 2.202 2.663 . 0 0 "[ . 1 . 2]" 1
29 1 8 LYS HA 1 9 TRP H . . 2.780 2.448 2.381 2.538 . 0 0 "[ . 1 . 2]" 1
30 1 8 LYS HA 1 9 TRP HB3 . . 5.500 5.612 5.574 5.657 0.157 7 0 "[ . 1 . 2]" 1
31 1 8 LYS HA 1 9 TRP HD1 . . 5.500 5.286 5.162 5.524 0.024 19 0 "[ . 1 . 2]" 1
32 1 8 LYS HA 1 9 TRP HE3 . . 5.300 4.391 4.116 4.514 . 0 0 "[ . 1 . 2]" 1
33 1 8 LYS HA 1 9 TRP HH2 . . 5.500 5.408 5.217 5.520 0.020 5 0 "[ . 1 . 2]" 1
34 1 8 LYS HA 1 34 VAL QG . . 5.370 4.677 3.877 5.209 . 0 0 "[ . 1 . 2]" 1
35 1 8 LYS HB2 1 9 TRP H . . 4.130 3.844 3.760 3.934 . 0 0 "[ . 1 . 2]" 1
36 1 8 LYS HB3 1 9 TRP H . . 4.120 2.838 2.541 3.162 . 0 0 "[ . 1 . 2]" 1
37 1 8 LYS HB3 1 62 TYR H . . 5.500 5.322 5.074 5.553 0.053 15 0 "[ . 1 . 2]" 1
38 1 8 LYS QD 1 9 TRP HE1 . . 5.500 5.153 4.739 5.555 0.055 3 0 "[ . 1 . 2]" 1
39 1 8 LYS QG 1 9 TRP HE1 . . 4.540 4.531 4.190 4.600 0.060 18 0 "[ . 1 . 2]" 1
40 1 8 LYS HG2 1 9 TRP H . . 4.570 2.978 1.946 3.491 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS HG3 1 9 TRP H . . 4.570 2.105 1.785 3.777 . 0 0 "[ . 1 . 2]" 1
42 1 9 TRP H 1 9 TRP HB2 . . 3.470 2.813 2.747 2.889 . 0 0 "[ . 1 . 2]" 1
43 1 9 TRP H 1 9 TRP HB3 . . 4.000 3.594 3.559 3.633 . 0 0 "[ . 1 . 2]" 1
44 1 9 TRP H 1 9 TRP HD1 . . 3.990 3.477 3.350 3.579 . 0 0 "[ . 1 . 2]" 1
45 1 9 TRP H 1 9 TRP HE3 . . 3.940 3.836 3.623 3.917 . 0 0 "[ . 1 . 2]" 1
46 1 9 TRP H 1 9 TRP HZ3 . . 5.500 5.515 5.283 5.589 0.089 7 0 "[ . 1 . 2]" 1
47 1 9 TRP H 1 10 VAL H . . 4.780 4.551 4.482 4.600 . 0 0 "[ . 1 . 2]" 1
48 1 9 TRP H 1 10 VAL MG1 . . 4.850 4.474 4.256 4.654 . 0 0 "[ . 1 . 2]" 1
49 1 9 TRP H 1 34 VAL QG . . 5.390 4.808 4.242 5.211 . 0 0 "[ . 1 . 2]" 1
50 1 9 TRP H 1 62 TYR H . . 5.500 5.239 5.028 5.534 0.034 19 0 "[ . 1 . 2]" 1
51 1 9 TRP HA 1 9 TRP HE3 . . 4.110 2.413 2.363 2.510 . 0 0 "[ . 1 . 2]" 1
52 1 9 TRP HA 1 9 TRP HZ3 . . 4.920 4.774 4.715 4.864 . 0 0 "[ . 1 . 2]" 1
53 1 9 TRP HA 1 10 VAL H . . 2.910 2.185 2.165 2.212 . 0 0 "[ . 1 . 2]" 1
54 1 9 TRP HA 1 10 VAL MG1 . . 4.380 4.049 3.962 4.179 . 0 0 "[ . 1 . 2]" 1
55 1 9 TRP HA 1 10 VAL MG2 . . 4.080 3.679 3.585 3.793 . 0 0 "[ . 1 . 2]" 1
56 1 9 TRP HA 1 32 LEU H . . 5.130 4.208 4.106 4.283 . 0 0 "[ . 1 . 2]" 1
57 1 9 TRP HA 1 33 GLU HA . . 3.450 3.047 2.812 3.250 . 0 0 "[ . 1 . 2]" 1
58 1 9 TRP HA 1 34 VAL H . . 3.900 3.663 3.517 3.735 . 0 0 "[ . 1 . 2]" 1
59 1 9 TRP HA 1 34 VAL QG . . 4.030 4.007 3.736 4.106 0.076 16 0 "[ . 1 . 2]" 1
60 1 9 TRP HB2 1 10 VAL H . . 4.120 3.865 3.684 4.011 . 0 0 "[ . 1 . 2]" 1
61 1 9 TRP HB2 1 31 VAL QG . . 4.170 3.195 2.975 3.411 . 0 0 "[ . 1 . 2]" 1
62 1 9 TRP HB2 1 62 TYR H . . 4.570 4.225 4.073 4.451 . 0 0 "[ . 1 . 2]" 1
63 1 9 TRP HB2 1 62 TYR HB2 . . 4.460 3.775 3.050 4.348 . 0 0 "[ . 1 . 2]" 1
64 1 9 TRP HB2 1 62 TYR HB3 . . 4.180 2.641 2.404 3.037 . 0 0 "[ . 1 . 2]" 1
65 1 9 TRP HB2 1 62 TYR QD . . 4.010 3.555 3.024 4.042 0.032 5 0 "[ . 1 . 2]" 1
66 1 9 TRP HB3 1 9 TRP HE3 . . 4.020 3.167 3.087 3.246 . 0 0 "[ . 1 . 2]" 1
67 1 9 TRP HB3 1 10 VAL H . . 3.780 3.279 3.072 3.453 . 0 0 "[ . 1 . 2]" 1
68 1 9 TRP HB3 1 10 VAL MG2 . . 5.420 5.112 4.912 5.268 . 0 0 "[ . 1 . 2]" 1
69 1 9 TRP HB3 1 31 VAL QG . . 3.790 2.248 2.103 2.447 . 0 0 "[ . 1 . 2]" 1
70 1 9 TRP HB3 1 33 GLU HA . . 5.200 4.861 4.627 5.051 . 0 0 "[ . 1 . 2]" 1
71 1 9 TRP HB3 1 62 TYR HB2 . . 4.880 4.532 4.033 4.939 0.059 7 0 "[ . 1 . 2]" 1
72 1 9 TRP HB3 1 62 TYR HB3 . . 4.690 3.824 3.623 4.170 . 0 0 "[ . 1 . 2]" 1
73 1 9 TRP HB3 1 62 TYR QD . . 4.780 4.009 3.678 4.371 . 0 0 "[ . 1 . 2]" 1
74 1 9 TRP HD1 1 31 VAL QG . . 4.910 4.570 4.253 4.863 . 0 0 "[ . 1 . 2]" 1
75 1 9 TRP HE3 1 10 VAL H . . 4.710 4.369 4.318 4.470 . 0 0 "[ . 1 . 2]" 1
76 1 9 TRP HE3 1 31 VAL QG . . 3.910 3.890 3.789 3.973 0.063 11 0 "[ . 1 . 2]" 1
77 1 9 TRP HE3 1 32 LEU H . . 5.500 5.493 5.374 5.528 0.028 3 0 "[ . 1 . 2]" 1
78 1 9 TRP HE3 1 33 GLU HA . . 4.530 2.516 2.414 2.717 . 0 0 "[ . 1 . 2]" 1
79 1 9 TRP HE3 1 33 GLU HB2 . . 5.490 3.119 2.882 3.378 . 0 0 "[ . 1 . 2]" 1
80 1 9 TRP HH2 1 33 GLU HB2 . . 5.090 4.896 4.756 5.104 0.014 17 0 "[ . 1 . 2]" 1
81 1 9 TRP HZ3 1 33 GLU H . . 5.460 5.170 4.998 5.381 . 0 0 "[ . 1 . 2]" 1
82 1 9 TRP HZ3 1 33 GLU HA . . 4.790 3.396 3.180 3.744 . 0 0 "[ . 1 . 2]" 1
83 1 9 TRP HZ3 1 33 GLU HB2 . . 4.130 2.526 2.412 2.712 . 0 0 "[ . 1 . 2]" 1
84 1 9 TRP HZ3 1 33 GLU HB3 . . 4.540 4.050 3.898 4.256 . 0 0 "[ . 1 . 2]" 1
85 1 9 TRP HZ3 1 33 GLU HG2 . . 4.990 3.934 3.814 4.094 . 0 0 "[ . 1 . 2]" 1
86 1 9 TRP HZ3 1 33 GLU HG3 . . 5.020 2.399 2.262 2.591 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL H 1 10 VAL HB . . 4.160 3.870 3.838 3.904 . 0 0 "[ . 1 . 2]" 1
88 1 10 VAL H 1 10 VAL MG1 . . 3.820 3.241 3.199 3.290 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL H 1 10 VAL MG2 . . 3.120 2.315 2.264 2.363 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL H 1 11 LEU HA . . 4.920 4.909 4.839 4.971 0.051 17 0 "[ . 1 . 2]" 1
91 1 10 VAL H 1 31 VAL HA . . 4.940 4.171 4.087 4.282 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL H 1 31 VAL QG . . 4.610 2.783 2.611 3.030 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL H 1 32 LEU H . . 3.750 2.737 2.684 2.825 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL H 1 33 GLU HA . . 4.390 4.194 4.041 4.403 0.013 20 0 "[ . 1 . 2]" 1
95 1 10 VAL H 1 34 VAL H . . 4.940 4.313 4.057 4.495 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL H 1 34 VAL QG . . 4.280 3.840 3.563 4.322 0.042 17 0 "[ . 1 . 2]" 1
97 1 10 VAL H 1 62 TYR HB2 . . 5.090 4.393 4.023 4.752 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL H 1 62 TYR HB3 . . 5.500 4.763 4.359 5.311 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL HA 1 10 VAL MG1 . . 3.020 2.296 2.238 2.329 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL HA 1 11 LEU H . . 3.050 2.131 2.068 2.184 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL HA 1 11 LEU HB2 . . 5.060 4.506 4.329 4.586 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL HA 1 11 LEU HB3 . . 4.880 4.351 4.216 4.475 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL HA 1 31 VAL QG . . 4.720 3.799 3.508 4.154 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL HA 1 60 THR MG . . 4.720 4.337 4.174 4.751 0.031 19 0 "[ . 1 . 2]" 1
105 1 10 VAL HA 1 61 PRO HA . . 3.430 3.249 3.081 3.366 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL HA 1 62 TYR H . . 3.210 2.366 2.263 2.584 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL HA 1 62 TYR HB2 . . 3.720 2.575 2.428 2.723 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL HA 1 62 TYR HB3 . . 4.420 3.591 3.131 4.040 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL HB 1 11 LEU H . . 3.510 2.926 2.681 3.090 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL HB 1 32 LEU H . . 5.500 5.035 4.947 5.171 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL HB 1 59 LEU HA . . 4.590 3.402 3.178 3.853 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL HB 1 59 LEU HB2 . . 4.980 4.341 4.119 4.637 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL HB 1 59 LEU HB3 . . 3.580 2.630 2.430 2.983 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL HB 1 59 LEU QD . . 4.030 2.960 2.717 3.476 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL HB 1 60 THR H . . 3.770 2.916 2.730 3.061 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL HB 1 60 THR HA . . 4.780 4.708 4.543 4.810 0.030 14 0 "[ . 1 . 2]" 1
117 1 10 VAL HB 1 61 PRO HA . . 4.600 4.195 3.661 4.388 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL HB 1 62 TYR H . . 4.430 4.455 4.311 4.495 0.065 19 0 "[ . 1 . 2]" 1
119 1 10 VAL MG1 1 11 LEU H . . 3.980 3.686 3.625 3.744 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL MG1 1 34 VAL H . . 4.890 4.320 4.078 4.510 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL MG1 1 34 VAL HB . . 4.150 3.885 3.290 4.154 0.004 15 0 "[ . 1 . 2]" 1
122 1 10 VAL MG1 1 42 TRP HE3 . . 3.850 3.212 3.026 3.491 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL MG1 1 42 TRP HH2 . . 4.300 3.925 3.680 4.110 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL MG1 1 42 TRP HZ3 . . 3.150 2.178 2.089 2.323 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL MG1 1 60 THR H . . 5.230 3.987 3.786 4.162 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL MG1 1 60 THR HA . . 4.590 4.364 4.250 4.542 . 0 0 "[ . 1 . 2]" 1
127 1 10 VAL MG1 1 61 PRO HA . . 3.160 2.221 2.163 2.271 . 0 0 "[ . 1 . 2]" 1
128 1 10 VAL MG1 1 61 PRO QB . . 4.190 3.554 3.483 3.619 . 0 0 "[ . 1 . 2]" 1
129 1 10 VAL MG1 1 61 PRO HG2 . . 5.480 5.473 5.413 5.529 0.049 19 0 "[ . 1 . 2]" 1
130 1 10 VAL MG1 1 61 PRO HG3 . . 5.490 5.324 5.223 5.457 . 0 0 "[ . 1 . 2]" 1
131 1 10 VAL MG1 1 62 TYR H . . 3.890 3.035 2.938 3.138 . 0 0 "[ . 1 . 2]" 1
132 1 10 VAL MG1 1 62 TYR HB2 . . 4.620 4.292 4.103 4.428 . 0 0 "[ . 1 . 2]" 1
133 1 10 VAL MG2 1 11 LEU H . . 4.420 3.981 3.731 4.135 . 0 0 "[ . 1 . 2]" 1
134 1 10 VAL MG2 1 11 LEU HA . . 4.780 4.465 4.277 4.678 . 0 0 "[ . 1 . 2]" 1
135 1 10 VAL MG2 1 12 CYS HA . . 5.320 5.063 4.697 5.357 0.037 16 0 "[ . 1 . 2]" 1
136 1 10 VAL MG2 1 31 VAL HA . . 4.780 4.380 4.219 4.546 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL MG2 1 32 LEU H . . 3.590 3.124 2.993 3.243 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL MG2 1 33 GLU H . . 5.470 4.962 4.714 5.134 . 0 0 "[ . 1 . 2]" 1
139 1 10 VAL MG2 1 34 VAL HA . . 4.660 4.344 4.007 4.527 . 0 0 "[ . 1 . 2]" 1
140 1 10 VAL MG2 1 42 TRP HE3 . . 4.470 3.279 3.019 3.532 . 0 0 "[ . 1 . 2]" 1
141 1 10 VAL MG2 1 42 TRP HZ3 . . 4.460 3.734 3.384 3.956 . 0 0 "[ . 1 . 2]" 1
142 1 10 VAL MG2 1 59 LEU HA . . 4.430 3.858 3.560 4.217 . 0 0 "[ . 1 . 2]" 1
143 1 10 VAL MG2 1 60 THR H . . 4.350 4.245 3.824 4.370 0.020 6 0 "[ . 1 . 2]" 1
144 1 10 VAL MG2 1 61 PRO HA . . 5.500 5.000 4.815 5.054 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU H 1 11 LEU HB2 . . 3.520 2.835 2.630 2.977 . 0 0 "[ . 1 . 2]" 1
146 1 11 LEU H 1 11 LEU HB3 . . 3.470 2.306 2.218 2.407 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU H 1 11 LEU MD1 . . 5.200 4.319 4.219 4.512 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU H 1 11 LEU QD . . 4.470 3.777 3.668 3.818 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU H 1 11 LEU MD2 . . 5.200 4.182 3.888 4.262 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU H 1 60 THR H . . 4.020 3.158 2.930 3.348 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU H 1 61 PRO HA . . 4.450 4.356 3.927 4.477 0.027 10 0 "[ . 1 . 2]" 1
152 1 11 LEU H 1 62 TYR H . . 4.240 3.472 3.305 3.761 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU H 1 62 TYR HB2 . . 3.970 2.673 2.248 3.049 . 0 0 "[ . 1 . 2]" 1
154 1 11 LEU H 1 62 TYR HB3 . . 4.720 4.314 3.786 4.757 0.037 10 0 "[ . 1 . 2]" 1
155 1 11 LEU HA 1 11 LEU MD1 . . 4.100 2.464 2.177 3.533 . 0 0 "[ . 1 . 2]" 1
156 1 11 LEU HA 1 11 LEU QD . . 3.340 2.400 2.167 3.173 . 0 0 "[ . 1 . 2]" 1
157 1 11 LEU HA 1 11 LEU MD2 . . 4.100 3.891 3.592 3.993 . 0 0 "[ . 1 . 2]" 1
158 1 11 LEU HA 1 11 LEU HG . . 4.180 3.185 2.598 3.375 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU HA 1 12 CYS H . . 2.820 2.181 2.121 2.213 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU HA 1 12 CYS HB2 . . 4.710 4.256 4.166 4.336 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU HA 1 30 ASP H . . 4.520 4.611 4.591 4.664 0.144 11 0 "[ . 1 . 2]" 1
162 1 11 LEU HA 1 31 VAL QG . . 4.460 2.989 2.402 3.542 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU HA 1 32 LEU H . . 4.020 3.915 3.777 4.086 0.066 5 0 "[ . 1 . 2]" 1
164 1 11 LEU HB2 1 31 VAL HA . . 4.920 4.267 3.862 4.677 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU HB2 1 62 TYR H . . 5.310 5.202 4.931 5.374 0.064 15 0 "[ . 1 . 2]" 1
166 1 11 LEU HB2 1 62 TYR HA . . 4.730 4.231 3.486 4.610 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU HB2 1 62 TYR HB2 . . 4.060 3.252 2.672 3.882 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU HB2 1 62 TYR QD . . 3.690 2.512 2.213 2.848 . 0 0 "[ . 1 . 2]" 1
169 1 11 LEU HB3 1 12 CYS H . . 4.110 4.140 4.128 4.174 0.064 11 0 "[ . 1 . 2]" 1
170 1 11 LEU HB3 1 60 THR H . . 4.560 3.866 3.718 4.050 . 0 0 "[ . 1 . 2]" 1
171 1 11 LEU HB3 1 62 TYR H . . 5.500 4.987 4.723 5.238 . 0 0 "[ . 1 . 2]" 1
172 1 11 LEU HB3 1 62 TYR HA . . 4.940 4.170 3.856 4.364 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU HB3 1 62 TYR HB2 . . 5.140 3.690 2.962 4.513 . 0 0 "[ . 1 . 2]" 1
174 1 11 LEU HB3 1 62 TYR QD . . 4.380 3.060 2.614 3.852 . 0 0 "[ . 1 . 2]" 1
175 1 11 LEU QD 1 12 CYS H . . 3.170 2.318 2.077 3.163 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU QD 1 13 ASN HA . . 4.320 3.752 2.677 4.173 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU QD 1 13 ASN QD . . 4.830 3.919 2.755 4.900 0.070 2 0 "[ . 1 . 2]" 1
178 1 11 LEU QD 1 28 GLN HA . . 4.860 4.223 3.910 4.585 . 0 0 "[ . 1 . 2]" 1
179 1 11 LEU QD 1 29 ARG H . . 4.130 2.766 2.336 3.120 . 0 0 "[ . 1 . 2]" 1
180 1 11 LEU QD 1 29 ARG HA . . 3.210 2.019 1.936 2.293 . 0 0 "[ . 1 . 2]" 1
181 1 11 LEU QD 1 29 ARG HB2 . . 4.980 4.300 4.216 4.494 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU QD 1 29 ARG HB3 . . 4.120 3.542 3.401 3.668 . 0 0 "[ . 1 . 2]" 1
183 1 11 LEU QD 1 29 ARG QD . . 4.160 2.949 2.586 3.129 . 0 0 "[ . 1 . 2]" 1
184 1 11 LEU QD 1 30 ASP H . . 4.680 2.851 2.505 3.988 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU QD 1 62 TYR HA . . 5.250 4.394 3.971 4.600 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU QD 1 62 TYR HB2 . . 4.960 4.312 3.882 4.787 . 0 0 "[ . 1 . 2]" 1
187 1 11 LEU QD 1 62 TYR QD . . 3.680 2.886 2.532 3.363 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU QD 1 62 TYR QE . . 3.900 2.370 2.208 2.768 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU QD 1 63 PRO QD . . 4.480 4.245 3.536 4.514 0.034 6 0 "[ . 1 . 2]" 1
190 1 11 LEU MD1 1 13 ASN HA . . 4.950 4.768 4.255 5.014 0.064 17 0 "[ . 1 . 2]" 1
191 1 11 LEU MD1 1 29 ARG HA . . 4.080 2.044 1.947 2.385 . 0 0 "[ . 1 . 2]" 1
192 1 11 LEU MD1 1 29 ARG HB3 . . 4.780 3.648 3.487 3.803 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU MD1 1 62 TYR QD . . 4.420 3.766 2.883 4.264 . 0 0 "[ . 1 . 2]" 1
194 1 11 LEU MD1 1 62 TYR QE . . 4.530 3.272 2.285 4.016 . 0 0 "[ . 1 . 2]" 1
195 1 11 LEU MD2 1 13 ASN HA . . 4.950 3.991 2.688 4.498 . 0 0 "[ . 1 . 2]" 1
196 1 11 LEU MD2 1 29 ARG HA . . 4.080 3.300 2.854 3.518 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU MD2 1 29 ARG HB3 . . 4.780 4.802 4.720 4.840 0.060 14 0 "[ . 1 . 2]" 1
198 1 11 LEU MD2 1 62 TYR QD . . 4.420 3.258 2.551 4.135 . 0 0 "[ . 1 . 2]" 1
199 1 11 LEU MD2 1 62 TYR QE . . 4.530 2.912 2.230 4.586 0.056 11 0 "[ . 1 . 2]" 1
200 1 11 LEU HG 1 12 CYS H . . 3.380 2.886 2.321 3.153 . 0 0 "[ . 1 . 2]" 1
201 1 11 LEU HG 1 13 ASN QD . . 5.340 4.711 3.238 5.397 0.057 5 0 "[ . 1 . 2]" 1
202 1 11 LEU HG 1 29 ARG H . . 4.700 3.711 3.259 3.957 . 0 0 "[ . 1 . 2]" 1
203 1 11 LEU HG 1 29 ARG HA . . 4.320 3.659 2.647 4.096 . 0 0 "[ . 1 . 2]" 1
204 1 12 CYS H 1 12 CYS HB2 . . 3.290 2.165 2.127 2.210 . 0 0 "[ . 1 . 2]" 1
205 1 12 CYS H 1 12 CYS HB3 . . 3.560 3.459 3.418 3.510 . 0 0 "[ . 1 . 2]" 1
206 1 12 CYS H 1 13 ASN H . . 4.450 4.389 4.353 4.443 . 0 0 "[ . 1 . 2]" 1
207 1 12 CYS H 1 29 ARG H . . 3.770 3.820 3.786 3.835 0.065 14 0 "[ . 1 . 2]" 1
208 1 12 CYS H 1 29 ARG HA . . 4.410 4.375 4.186 4.443 0.033 13 0 "[ . 1 . 2]" 1
209 1 12 CYS H 1 30 ASP H . . 4.070 3.020 2.965 3.118 . 0 0 "[ . 1 . 2]" 1
210 1 12 CYS H 1 30 ASP HB2 . . 4.090 4.108 4.016 4.145 0.055 7 0 "[ . 1 . 2]" 1
211 1 12 CYS H 1 31 VAL HA . . 3.940 3.624 3.510 3.769 . 0 0 "[ . 1 . 2]" 1
212 1 12 CYS HA 1 13 ASN H . . 2.700 2.163 2.132 2.213 . 0 0 "[ . 1 . 2]" 1
213 1 12 CYS HA 1 14 TYR H . . 4.040 3.518 3.454 3.599 . 0 0 "[ . 1 . 2]" 1
214 1 12 CYS HA 1 58 ILE HG13 . . 4.150 3.397 3.183 3.778 . 0 0 "[ . 1 . 2]" 1
215 1 12 CYS HA 1 59 LEU HA . . 3.760 3.133 2.972 3.266 . 0 0 "[ . 1 . 2]" 1
216 1 12 CYS HA 1 59 LEU QD . . 3.160 2.960 2.824 3.095 . 0 0 "[ . 1 . 2]" 1
217 1 12 CYS HA 1 60 THR H . . 4.730 4.072 3.807 4.240 . 0 0 "[ . 1 . 2]" 1
218 1 12 CYS HB2 1 13 ASN H . . 4.650 4.611 4.560 4.650 . 0 0 "[ . 1 . 2]" 1
219 1 12 CYS HB2 1 14 TYR H . . 5.140 4.822 4.770 4.892 . 0 0 "[ . 1 . 2]" 1
220 1 12 CYS HB2 1 26 VAL MG2 . . 4.340 4.387 4.373 4.399 0.059 2 0 "[ . 1 . 2]" 1
221 1 12 CYS HB2 1 28 GLN HA . . 4.150 2.974 2.821 3.107 . 0 0 "[ . 1 . 2]" 1
222 1 12 CYS HB2 1 29 ARG H . . 4.330 3.451 3.245 3.617 . 0 0 "[ . 1 . 2]" 1
223 1 12 CYS HB2 1 29 ARG HA . . 5.280 4.769 4.524 4.946 . 0 0 "[ . 1 . 2]" 1
224 1 12 CYS HB2 1 30 ASP H . . 3.880 2.356 2.192 2.500 . 0 0 "[ . 1 . 2]" 1
225 1 12 CYS HB2 1 32 LEU MD1 . . 4.490 4.205 4.019 4.418 . 0 0 "[ . 1 . 2]" 1
226 1 12 CYS HB2 1 32 LEU HG . . 4.700 4.667 4.473 4.739 0.039 18 0 "[ . 1 . 2]" 1
227 1 12 CYS HB2 1 59 LEU QD . . 4.800 4.672 4.519 4.814 0.014 19 0 "[ . 1 . 2]" 1
228 1 12 CYS HB3 1 13 ASN H . . 4.330 3.829 3.758 3.895 . 0 0 "[ . 1 . 2]" 1
229 1 12 CYS HB3 1 14 TYR H . . 4.120 3.273 3.197 3.318 . 0 0 "[ . 1 . 2]" 1
230 1 12 CYS HB3 1 26 VAL MG2 . . 4.430 3.774 3.558 3.896 . 0 0 "[ . 1 . 2]" 1
231 1 12 CYS HB3 1 27 LYS HA . . 5.030 4.676 4.577 4.792 . 0 0 "[ . 1 . 2]" 1
232 1 12 CYS HB3 1 28 GLN HA . . 3.940 2.221 2.177 2.266 . 0 0 "[ . 1 . 2]" 1
233 1 12 CYS HB3 1 28 GLN HB3 . . 4.050 4.023 3.924 4.063 0.013 3 0 "[ . 1 . 2]" 1
234 1 12 CYS HB3 1 29 ARG H . . 4.200 3.652 3.602 3.718 . 0 0 "[ . 1 . 2]" 1
235 1 12 CYS HB3 1 29 ARG HA . . 5.500 5.567 5.536 5.605 0.105 4 0 "[ . 1 . 2]" 1
236 1 12 CYS HB3 1 30 ASP H . . 3.550 3.615 3.584 3.632 0.082 1 0 "[ . 1 . 2]" 1
237 1 12 CYS HB3 1 32 LEU MD1 . . 5.160 4.764 4.686 4.853 . 0 0 "[ . 1 . 2]" 1
238 1 12 CYS HB3 1 58 ILE MD . . 4.910 3.979 3.761 4.268 . 0 0 "[ . 1 . 2]" 1
239 1 12 CYS HB3 1 59 LEU QD . . 5.320 4.609 4.493 4.780 . 0 0 "[ . 1 . 2]" 1
240 1 13 ASN H 1 13 ASN HB2 . . 3.780 2.331 2.084 2.455 . 0 0 "[ . 1 . 2]" 1
241 1 13 ASN H 1 13 ASN QB . . 2.910 2.298 2.060 2.414 . 0 0 "[ . 1 . 2]" 1
242 1 13 ASN H 1 13 ASN HB3 . . 3.780 3.490 3.030 3.585 . 0 0 "[ . 1 . 2]" 1
243 1 13 ASN H 1 13 ASN QD . . 3.680 3.575 3.150 3.751 0.071 20 0 "[ . 1 . 2]" 1
244 1 13 ASN H 1 14 TYR H . . 2.910 2.617 2.503 2.677 . 0 0 "[ . 1 . 2]" 1
245 1 13 ASN H 1 28 GLN HA . . 4.840 4.708 4.629 4.789 . 0 0 "[ . 1 . 2]" 1
246 1 13 ASN H 1 58 ILE HB . . 4.720 3.467 3.278 3.745 . 0 0 "[ . 1 . 2]" 1
247 1 13 ASN H 1 58 ILE HG13 . . 4.480 4.079 3.919 4.215 . 0 0 "[ . 1 . 2]" 1
248 1 13 ASN H 1 59 LEU H . . 4.890 4.827 4.731 4.902 0.012 5 0 "[ . 1 . 2]" 1
249 1 13 ASN H 1 59 LEU HA . . 3.670 3.568 3.396 3.701 0.031 4 0 "[ . 1 . 2]" 1
250 1 13 ASN H 1 59 LEU QD . . 4.370 4.194 4.053 4.320 . 0 0 "[ . 1 . 2]" 1
251 1 13 ASN H 1 60 THR H . . 4.110 4.031 3.775 4.200 0.090 2 0 "[ . 1 . 2]" 1
252 1 13 ASN H 1 60 THR MG . . 4.580 3.524 2.741 3.811 . 0 0 "[ . 1 . 2]" 1
253 1 13 ASN HA 1 28 GLN HA . . 4.800 4.512 4.364 4.606 . 0 0 "[ . 1 . 2]" 1
254 1 13 ASN HA 1 28 GLN HB2 . . 4.590 4.124 3.893 4.298 . 0 0 "[ . 1 . 2]" 1
255 1 13 ASN HA 1 28 GLN HB3 . . 5.000 4.502 4.336 4.616 . 0 0 "[ . 1 . 2]" 1
256 1 13 ASN HA 1 29 ARG H . . 4.290 4.113 3.975 4.236 . 0 0 "[ . 1 . 2]" 1
257 1 13 ASN HA 1 29 ARG QD . . 5.200 4.425 4.212 4.635 . 0 0 "[ . 1 . 2]" 1
258 1 13 ASN HA 1 60 THR HB . . 5.340 5.381 5.275 5.436 0.096 5 0 "[ . 1 . 2]" 1
259 1 13 ASN HA 1 60 THR MG . . 3.940 3.921 3.399 4.066 0.126 16 0 "[ . 1 . 2]" 1
260 1 13 ASN QB 1 14 TYR H . . 4.150 2.842 2.706 3.083 . 0 0 "[ . 1 . 2]" 1
261 1 13 ASN QB 1 14 TYR QD . . 3.790 2.542 2.339 2.858 . 0 0 "[ . 1 . 2]" 1
262 1 13 ASN QB 1 14 TYR QE . . 3.740 2.847 2.775 2.979 . 0 0 "[ . 1 . 2]" 1
263 1 13 ASN QB 1 60 THR MG . . 4.360 3.938 2.903 4.245 . 0 0 "[ . 1 . 2]" 1
264 1 13 ASN HB2 1 14 TYR H . . 4.720 3.008 2.773 3.684 . 0 0 "[ . 1 . 2]" 1
265 1 13 ASN HB2 1 14 TYR QD . . 4.510 2.807 2.393 4.142 . 0 0 "[ . 1 . 2]" 1
266 1 13 ASN HB2 1 60 THR MG . . 5.210 4.285 2.963 4.756 . 0 0 "[ . 1 . 2]" 1
267 1 13 ASN HB3 1 14 TYR H . . 4.720 3.694 3.224 3.895 . 0 0 "[ . 1 . 2]" 1
268 1 13 ASN HB3 1 14 TYR QD . . 4.510 3.250 2.832 3.507 . 0 0 "[ . 1 . 2]" 1
269 1 13 ASN HB3 1 60 THR MG . . 5.210 4.706 4.163 4.943 . 0 0 "[ . 1 . 2]" 1
270 1 13 ASN QD 1 14 TYR H . . 5.340 5.037 4.608 5.232 . 0 0 "[ . 1 . 2]" 1
271 1 13 ASN QD 1 60 THR H . . 4.340 4.276 3.631 4.397 0.057 19 0 "[ . 1 . 2]" 1
272 1 13 ASN QD 1 60 THR HB . . 4.630 2.221 1.628 2.941 . 0 0 "[ . 1 . 2]" 1
273 1 13 ASN QD 1 60 THR MG . . 3.590 2.292 1.941 3.062 . 0 0 "[ . 1 . 2]" 1
274 1 14 TYR H 1 14 TYR HB2 . . 3.630 2.857 2.823 2.887 . 0 0 "[ . 1 . 2]" 1
275 1 14 TYR H 1 14 TYR HB3 . . 3.980 3.898 3.883 3.916 . 0 0 "[ . 1 . 2]" 1
276 1 14 TYR H 1 14 TYR QD . . 3.780 3.217 3.110 3.358 . 0 0 "[ . 1 . 2]" 1
277 1 14 TYR H 1 14 TYR QE . . 5.500 5.044 4.999 5.104 . 0 0 "[ . 1 . 2]" 1
278 1 14 TYR H 1 15 ASP H . . 4.550 4.444 4.416 4.464 . 0 0 "[ . 1 . 2]" 1
279 1 14 TYR H 1 28 GLN H . . 5.240 5.250 5.217 5.264 0.024 19 0 "[ . 1 . 2]" 1
280 1 14 TYR H 1 28 GLN HA . . 3.970 3.672 3.624 3.718 . 0 0 "[ . 1 . 2]" 1
281 1 14 TYR H 1 28 GLN HB3 . . 3.770 3.525 3.417 3.570 . 0 0 "[ . 1 . 2]" 1
282 1 14 TYR H 1 29 ARG H . . 5.230 4.992 4.878 5.066 . 0 0 "[ . 1 . 2]" 1
283 1 14 TYR H 1 58 ILE HB . . 2.980 2.348 2.284 2.455 . 0 0 "[ . 1 . 2]" 1
284 1 14 TYR H 1 58 ILE MD . . 4.130 3.778 3.678 3.881 . 0 0 "[ . 1 . 2]" 1
285 1 14 TYR H 1 58 ILE MG . . 4.150 3.702 3.598 3.922 . 0 0 "[ . 1 . 2]" 1
286 1 14 TYR HA 1 14 TYR QD . . 3.700 2.841 2.708 2.941 . 0 0 "[ . 1 . 2]" 1
287 1 14 TYR HA 1 14 TYR QE . . 5.190 4.767 4.678 4.842 . 0 0 "[ . 1 . 2]" 1
288 1 14 TYR HA 1 15 ASP H . . 2.630 2.389 2.315 2.429 . 0 0 "[ . 1 . 2]" 1
289 1 14 TYR HA 1 15 ASP QB . . 4.550 4.401 4.077 4.580 0.030 4 0 "[ . 1 . 2]" 1
290 1 14 TYR HA 1 28 GLN H . . 4.220 4.241 4.220 4.267 0.047 15 0 "[ . 1 . 2]" 1
291 1 14 TYR HA 1 28 GLN HA . . 4.510 4.071 4.015 4.128 . 0 0 "[ . 1 . 2]" 1
292 1 14 TYR HA 1 28 GLN HB2 . . 4.280 3.610 3.484 3.696 . 0 0 "[ . 1 . 2]" 1
293 1 14 TYR HA 1 28 GLN HB3 . . 3.760 2.150 2.077 2.202 . 0 0 "[ . 1 . 2]" 1
294 1 14 TYR HA 1 28 GLN QE . . 4.500 3.417 2.601 4.254 . 0 0 "[ . 1 . 2]" 1
295 1 14 TYR HA 1 28 GLN HG2 . . 3.790 3.721 3.564 3.850 0.060 12 0 "[ . 1 . 2]" 1
296 1 14 TYR HB2 1 15 ASP H . . 3.480 3.502 3.478 3.540 0.060 12 0 "[ . 1 . 2]" 1
297 1 14 TYR HB2 1 15 ASP HA . . 5.500 4.932 4.857 5.031 . 0 0 "[ . 1 . 2]" 1
298 1 14 TYR HB2 1 28 GLN HB3 . . 5.310 4.790 4.732 4.846 . 0 0 "[ . 1 . 2]" 1
299 1 14 TYR HB2 1 58 ILE HB . . 4.140 2.639 2.334 2.803 . 0 0 "[ . 1 . 2]" 1
300 1 14 TYR HB2 1 58 ILE MD . . 4.280 3.614 3.441 3.722 . 0 0 "[ . 1 . 2]" 1
301 1 14 TYR HB2 1 58 ILE HG13 . . 5.420 4.932 4.613 5.084 . 0 0 "[ . 1 . 2]" 1
302 1 14 TYR HB2 1 58 ILE MG . . 3.710 2.248 2.174 2.319 . 0 0 "[ . 1 . 2]" 1
303 1 14 TYR HB3 1 15 ASP H . . 3.620 2.460 2.404 2.538 . 0 0 "[ . 1 . 2]" 1
304 1 14 TYR HB3 1 58 ILE MD . . 4.890 4.729 4.480 4.885 . 0 0 "[ . 1 . 2]" 1
305 1 14 TYR HB3 1 58 ILE MG . . 3.620 3.517 3.435 3.628 0.008 8 0 "[ . 1 . 2]" 1
306 1 14 TYR QD 1 15 ASP H . . 4.680 3.947 3.847 4.036 . 0 0 "[ . 1 . 2]" 1
307 1 14 TYR QD 1 58 ILE HA . . 3.020 2.208 2.135 2.315 . 0 0 "[ . 1 . 2]" 1
308 1 14 TYR QD 1 58 ILE HB . . 3.180 2.862 2.705 2.939 . 0 0 "[ . 1 . 2]" 1
309 1 14 TYR QD 1 58 ILE MD . . 4.600 4.590 4.490 4.631 0.031 17 0 "[ . 1 . 2]" 1
310 1 14 TYR QD 1 58 ILE HG13 . . 5.210 5.075 4.963 5.148 . 0 0 "[ . 1 . 2]" 1
311 1 14 TYR QD 1 58 ILE MG . . 3.280 2.222 2.169 2.280 . 0 0 "[ . 1 . 2]" 1
312 1 14 TYR QE 1 58 ILE HA . . 3.560 3.583 3.525 3.619 0.059 11 0 "[ . 1 . 2]" 1
313 1 14 TYR QE 1 58 ILE HB . . 5.130 5.091 4.951 5.154 0.024 11 0 "[ . 1 . 2]" 1
314 1 14 TYR QE 1 58 ILE MG . . 4.140 3.982 3.914 4.051 . 0 0 "[ . 1 . 2]" 1
315 1 15 ASP H 1 15 ASP QB . . 2.880 2.589 2.150 2.784 . 0 0 "[ . 1 . 2]" 1
316 1 15 ASP H 1 16 PHE H . . 4.620 4.623 4.595 4.654 0.034 18 0 "[ . 1 . 2]" 1
317 1 15 ASP H 1 16 PHE HB2 . . 5.500 5.472 5.385 5.522 0.022 4 0 "[ . 1 . 2]" 1
318 1 15 ASP H 1 27 LYS HA . . 4.590 4.564 4.484 4.628 0.038 9 0 "[ . 1 . 2]" 1
319 1 15 ASP H 1 28 GLN H . . 3.820 3.711 3.636 3.793 . 0 0 "[ . 1 . 2]" 1
320 1 15 ASP H 1 28 GLN HA . . 5.140 4.946 4.860 5.039 . 0 0 "[ . 1 . 2]" 1
321 1 15 ASP H 1 28 GLN HB2 . . 5.280 5.048 4.879 5.146 . 0 0 "[ . 1 . 2]" 1
322 1 15 ASP H 1 28 GLN HB3 . . 4.450 3.341 3.168 3.447 . 0 0 "[ . 1 . 2]" 1
323 1 15 ASP H 1 28 GLN QE . . 4.820 3.519 3.130 4.310 . 0 0 "[ . 1 . 2]" 1
324 1 15 ASP H 1 28 GLN HG2 . . 3.580 3.545 3.419 3.637 0.057 8 0 "[ . 1 . 2]" 1
325 1 15 ASP HA 1 16 PHE H . . 2.630 2.327 2.229 2.385 . 0 0 "[ . 1 . 2]" 1
326 1 15 ASP HA 1 26 VAL MG2 . . 4.340 3.429 3.078 3.700 . 0 0 "[ . 1 . 2]" 1
327 1 15 ASP HA 1 27 LYS H . . 4.400 4.438 4.341 4.501 0.101 14 0 "[ . 1 . 2]" 1
328 1 15 ASP HA 1 27 LYS HA . . 3.210 2.142 2.061 2.242 . 0 0 "[ . 1 . 2]" 1
329 1 15 ASP HA 1 28 GLN H . . 3.080 2.796 2.696 2.937 . 0 0 "[ . 1 . 2]" 1
330 1 15 ASP HA 1 28 GLN HA . . 5.060 4.380 4.256 4.511 . 0 0 "[ . 1 . 2]" 1
331 1 15 ASP HA 1 28 GLN HB3 . . 5.290 4.221 4.140 4.290 . 0 0 "[ . 1 . 2]" 1
332 1 15 ASP HA 1 28 GLN HG2 . . 4.170 4.223 4.188 4.250 0.080 1 0 "[ . 1 . 2]" 1
333 1 15 ASP QB 1 16 PHE H . . 3.460 2.599 2.413 3.518 0.058 14 0 "[ . 1 . 2]" 1
334 1 15 ASP QB 1 27 LYS HA . . 3.900 2.562 2.242 3.138 . 0 0 "[ . 1 . 2]" 1
335 1 15 ASP QB 1 27 LYS QG . . 4.880 3.607 2.605 4.715 . 0 0 "[ . 1 . 2]" 1
336 1 15 ASP HB2 1 16 PHE H . . 4.070 2.918 2.442 3.882 . 0 0 "[ . 1 . 2]" 1
337 1 15 ASP HB2 1 27 LYS HA . . 4.460 3.086 2.453 4.433 . 0 0 "[ . 1 . 2]" 1
338 1 15 ASP HB2 1 28 GLN H . . 4.330 3.790 2.699 4.422 0.092 8 0 "[ . 1 . 2]" 1
339 1 15 ASP HB3 1 16 PHE H . . 4.070 3.588 2.653 4.023 . 0 0 "[ . 1 . 2]" 1
340 1 15 ASP HB3 1 27 LYS HA . . 4.460 2.865 2.443 4.347 . 0 0 "[ . 1 . 2]" 1
341 1 15 ASP HB3 1 28 GLN H . . 4.330 2.886 2.291 4.187 . 0 0 "[ . 1 . 2]" 1
342 1 16 PHE H 1 16 PHE HB2 . . 3.860 3.362 3.311 3.399 . 0 0 "[ . 1 . 2]" 1
343 1 16 PHE H 1 16 PHE HB3 . . 3.500 2.884 2.842 2.929 . 0 0 "[ . 1 . 2]" 1
344 1 16 PHE H 1 17 GLN H . . 4.580 4.403 4.378 4.418 . 0 0 "[ . 1 . 2]" 1
345 1 16 PHE H 1 17 GLN HA . . 4.920 4.781 4.741 4.820 . 0 0 "[ . 1 . 2]" 1
346 1 16 PHE H 1 25 SER HA . . 4.920 4.727 4.587 4.802 . 0 0 "[ . 1 . 2]" 1
347 1 16 PHE H 1 26 VAL H . . 3.270 3.124 2.994 3.223 . 0 0 "[ . 1 . 2]" 1
348 1 16 PHE H 1 26 VAL HA . . 5.030 4.898 4.837 4.937 . 0 0 "[ . 1 . 2]" 1
349 1 16 PHE H 1 26 VAL MG2 . . 3.260 3.141 2.978 3.261 0.001 17 0 "[ . 1 . 2]" 1
350 1 16 PHE H 1 27 LYS HA . . 3.530 3.274 3.196 3.445 . 0 0 "[ . 1 . 2]" 1
351 1 16 PHE H 1 58 ILE MD . . 4.600 4.109 4.046 4.164 . 0 0 "[ . 1 . 2]" 1
352 1 16 PHE HA 1 16 PHE QD . . 3.630 2.414 2.365 2.469 . 0 0 "[ . 1 . 2]" 1
353 1 16 PHE HA 1 17 GLN H . . 2.490 2.392 2.319 2.451 . 0 0 "[ . 1 . 2]" 1
354 1 16 PHE HA 1 17 GLN QB . . 4.370 4.215 3.965 4.368 . 0 0 "[ . 1 . 2]" 1
355 1 16 PHE HA 1 17 GLN QG . . 5.060 3.955 3.651 4.681 . 0 0 "[ . 1 . 2]" 1
356 1 16 PHE HA 1 26 VAL H . . 4.850 4.761 4.699 4.826 . 0 0 "[ . 1 . 2]" 1
357 1 16 PHE HA 1 58 ILE MD . . 4.520 4.344 4.216 4.435 . 0 0 "[ . 1 . 2]" 1
358 1 16 PHE HB2 1 17 GLN H . . 4.290 3.972 3.918 4.035 . 0 0 "[ . 1 . 2]" 1
359 1 16 PHE HB2 1 26 VAL H . . 4.670 4.708 4.661 4.735 0.065 15 0 "[ . 1 . 2]" 1
360 1 16 PHE HB2 1 26 VAL MG2 . . 3.380 3.339 3.273 3.396 0.016 17 0 "[ . 1 . 2]" 1
361 1 16 PHE HB2 1 58 ILE MD . . 3.360 2.308 2.200 2.410 . 0 0 "[ . 1 . 2]" 1
362 1 16 PHE HB2 1 58 ILE MG . . 4.160 3.397 3.271 3.600 . 0 0 "[ . 1 . 2]" 1
363 1 16 PHE HB3 1 17 GLN H . . 4.050 3.794 3.696 3.949 . 0 0 "[ . 1 . 2]" 1
364 1 16 PHE HB3 1 26 VAL H . . 4.160 3.094 3.007 3.150 . 0 0 "[ . 1 . 2]" 1
365 1 16 PHE HB3 1 26 VAL MG1 . . 4.910 4.261 4.039 4.372 . 0 0 "[ . 1 . 2]" 1
366 1 16 PHE HB3 1 26 VAL MG2 . . 3.280 2.172 2.108 2.259 . 0 0 "[ . 1 . 2]" 1
367 1 16 PHE HB3 1 58 ILE MD . . 3.170 2.749 2.648 2.844 . 0 0 "[ . 1 . 2]" 1
368 1 16 PHE HB3 1 58 ILE MG . . 5.290 4.630 4.453 4.836 . 0 0 "[ . 1 . 2]" 1
369 1 16 PHE QD 1 17 GLN QB . . 5.230 4.736 4.536 4.972 . 0 0 "[ . 1 . 2]" 1
370 1 16 PHE QD 1 18 ALA H . . 5.500 5.255 4.983 5.469 . 0 0 "[ . 1 . 2]" 1
371 1 16 PHE QD 1 25 SER HA . . 3.720 3.738 3.646 3.771 0.051 16 0 "[ . 1 . 2]" 1
372 1 16 PHE QD 1 26 VAL H . . 3.820 3.762 3.576 3.880 0.060 19 0 "[ . 1 . 2]" 1
373 1 16 PHE QD 1 26 VAL MG1 . . 4.760 4.003 3.679 4.170 . 0 0 "[ . 1 . 2]" 1
374 1 16 PHE QD 1 26 VAL MG2 . . 3.330 2.785 2.462 3.132 . 0 0 "[ . 1 . 2]" 1
375 1 16 PHE QD 1 54 VAL HB . . 4.650 4.045 3.731 4.392 . 0 0 "[ . 1 . 2]" 1
376 1 16 PHE QD 1 54 VAL MG1 . . 3.680 2.663 2.462 2.806 . 0 0 "[ . 1 . 2]" 1
377 1 16 PHE QD 1 54 VAL MG2 . . 5.500 5.088 4.846 5.286 . 0 0 "[ . 1 . 2]" 1
378 1 16 PHE QD 1 55 PRO HD2 . . 4.540 3.531 3.313 3.757 . 0 0 "[ . 1 . 2]" 1
379 1 16 PHE QD 1 55 PRO HD3 . . 4.940 4.051 3.810 4.388 . 0 0 "[ . 1 . 2]" 1
380 1 16 PHE QD 1 55 PRO HG2 . . 5.070 4.802 4.615 5.051 . 0 0 "[ . 1 . 2]" 1
381 1 16 PHE QD 1 55 PRO HG3 . . 4.970 4.095 3.838 4.387 . 0 0 "[ . 1 . 2]" 1
382 1 16 PHE QD 1 58 ILE MD . . 4.000 3.403 3.217 3.516 . 0 0 "[ . 1 . 2]" 1
383 1 16 PHE QE 1 18 ALA H . . 5.500 5.347 5.069 5.439 . 0 0 "[ . 1 . 2]" 1
384 1 16 PHE QE 1 18 ALA HA . . 3.740 3.638 3.343 3.773 0.033 8 0 "[ . 1 . 2]" 1
385 1 16 PHE QE 1 18 ALA MB . . 4.610 4.500 4.336 4.586 . 0 0 "[ . 1 . 2]" 1
386 1 16 PHE QE 1 19 ARG HD2 . . 5.070 3.789 3.008 5.129 0.059 5 0 "[ . 1 . 2]" 1
387 1 16 PHE QE 1 19 ARG HD3 . . 5.070 3.819 3.004 4.553 . 0 0 "[ . 1 . 2]" 1
388 1 16 PHE QE 1 19 ARG HG2 . . 5.500 5.015 3.680 5.566 0.066 4 0 "[ . 1 . 2]" 1
389 1 16 PHE QE 1 19 ARG HG3 . . 5.500 4.924 4.366 5.347 . 0 0 "[ . 1 . 2]" 1
390 1 16 PHE QE 1 23 GLU HB2 . . 3.700 2.435 2.289 2.562 . 0 0 "[ . 1 . 2]" 1
391 1 16 PHE QE 1 23 GLU HB3 . . 3.770 3.727 3.547 3.824 0.054 11 0 "[ . 1 . 2]" 1
392 1 16 PHE QE 1 23 GLU HG3 . . 4.790 4.190 3.863 4.391 . 0 0 "[ . 1 . 2]" 1
393 1 16 PHE QE 1 24 LEU H . . 4.050 2.924 2.609 3.155 . 0 0 "[ . 1 . 2]" 1
394 1 16 PHE QE 1 41 TRP HZ3 . . 3.920 2.795 2.609 3.101 . 0 0 "[ . 1 . 2]" 1
395 1 16 PHE QE 1 54 VAL MG1 . . 3.760 3.193 2.807 3.524 . 0 0 "[ . 1 . 2]" 1
396 1 16 PHE QE 1 55 PRO HD2 . . 5.150 4.030 3.682 4.433 . 0 0 "[ . 1 . 2]" 1
397 1 16 PHE QE 1 55 PRO HD3 . . 4.650 3.581 3.356 3.826 . 0 0 "[ . 1 . 2]" 1
398 1 16 PHE QE 1 55 PRO HG3 . . 5.500 4.283 4.022 4.554 . 0 0 "[ . 1 . 2]" 1
399 1 16 PHE HZ 1 18 ALA HA . . 4.400 4.314 4.069 4.428 0.028 20 0 "[ . 1 . 2]" 1
400 1 16 PHE HZ 1 19 ARG H . . 4.800 4.035 3.657 4.358 . 0 0 "[ . 1 . 2]" 1
401 1 16 PHE HZ 1 19 ARG HB2 . . 5.370 4.852 4.583 5.331 . 0 0 "[ . 1 . 2]" 1
402 1 16 PHE HZ 1 19 ARG HD2 . . 5.500 4.150 2.884 5.506 0.006 9 0 "[ . 1 . 2]" 1
403 1 16 PHE HZ 1 19 ARG QD . . 4.830 3.448 2.762 4.833 0.003 9 0 "[ . 1 . 2]" 1
404 1 16 PHE HZ 1 19 ARG HD3 . . 5.500 3.836 2.848 5.372 . 0 0 "[ . 1 . 2]" 1
405 1 16 PHE HZ 1 23 GLU HB2 . . 4.580 3.716 3.335 4.028 . 0 0 "[ . 1 . 2]" 1
406 1 16 PHE HZ 1 23 GLU HB3 . . 4.950 4.324 3.905 4.678 . 0 0 "[ . 1 . 2]" 1
407 1 16 PHE HZ 1 23 GLU HG3 . . 5.500 4.727 4.338 4.948 . 0 0 "[ . 1 . 2]" 1
408 1 16 PHE HZ 1 41 TRP HH2 . . 3.810 2.408 2.237 2.729 . 0 0 "[ . 1 . 2]" 1
409 1 16 PHE HZ 1 41 TRP HZ3 . . 4.080 3.156 2.585 3.595 . 0 0 "[ . 1 . 2]" 1
410 1 16 PHE HZ 1 54 VAL MG1 . . 5.500 5.272 4.924 5.512 0.012 14 0 "[ . 1 . 2]" 1
411 1 16 PHE HZ 1 55 PRO HD3 . . 5.500 4.088 3.648 4.450 . 0 0 "[ . 1 . 2]" 1
412 1 16 PHE HZ 2 3 VAL QG . . 5.440 3.576 3.293 3.803 . 0 0 "[ . 1 . 2]" 1
413 1 17 GLN H 1 17 GLN QB . . 2.890 2.672 2.515 2.962 0.072 11 0 "[ . 1 . 2]" 1
414 1 17 GLN H 1 17 GLN QG . . 3.720 3.152 2.260 3.754 0.034 3 0 "[ . 1 . 2]" 1
415 1 17 GLN H 1 18 ALA H . . 4.630 4.433 4.340 4.485 . 0 0 "[ . 1 . 2]" 1
416 1 17 GLN H 1 25 SER HA . . 4.860 4.300 4.212 4.408 . 0 0 "[ . 1 . 2]" 1
417 1 17 GLN H 1 26 VAL H . . 4.930 4.738 4.699 4.818 . 0 0 "[ . 1 . 2]" 1
418 1 17 GLN H 1 26 VAL MG2 . . 5.500 5.151 5.059 5.307 . 0 0 "[ . 1 . 2]" 1
419 1 17 GLN H 1 58 ILE MD . . 5.500 5.476 5.381 5.523 0.023 11 0 "[ . 1 . 2]" 1
420 1 17 GLN HA 1 17 GLN QG . . 3.740 2.552 2.310 3.378 . 0 0 "[ . 1 . 2]" 1
421 1 17 GLN HA 1 18 ALA H . . 2.580 2.202 2.156 2.248 . 0 0 "[ . 1 . 2]" 1
422 1 17 GLN HA 1 18 ALA MB . . 3.970 3.981 3.943 3.998 0.028 12 0 "[ . 1 . 2]" 1
423 1 17 GLN HA 1 25 SER H . . 5.140 4.917 4.737 5.129 . 0 0 "[ . 1 . 2]" 1
424 1 17 GLN HA 1 25 SER HA . . 3.460 2.386 2.251 2.533 . 0 0 "[ . 1 . 2]" 1
425 1 17 GLN HA 1 25 SER HB2 . . 4.270 2.987 2.586 4.179 . 0 0 "[ . 1 . 2]" 1
426 1 17 GLN HA 1 25 SER QB . . 3.640 2.688 2.249 3.130 . 0 0 "[ . 1 . 2]" 1
427 1 17 GLN HA 1 25 SER HB3 . . 4.270 3.340 2.362 4.226 . 0 0 "[ . 1 . 2]" 1
428 1 17 GLN HA 1 26 VAL H . . 3.910 3.651 3.531 3.775 . 0 0 "[ . 1 . 2]" 1
429 1 17 GLN QB 1 18 ALA H . . 3.530 2.944 2.814 3.105 . 0 0 "[ . 1 . 2]" 1
430 1 17 GLN QB 1 18 ALA HA . . 5.070 4.579 4.406 4.970 . 0 0 "[ . 1 . 2]" 1
431 1 17 GLN QB 1 25 SER HA . . 4.820 4.421 4.140 4.610 . 0 0 "[ . 1 . 2]" 1
432 1 17 GLN QG 1 18 ALA H . . 3.810 3.861 3.828 3.915 0.105 5 0 "[ . 1 . 2]" 1
433 1 18 ALA H 1 18 ALA MB . . 2.750 2.266 2.185 2.298 . 0 0 "[ . 1 . 2]" 1
434 1 18 ALA H 1 19 ARG H . . 4.630 4.350 4.247 4.464 . 0 0 "[ . 1 . 2]" 1
435 1 18 ALA H 1 20 ASN H . . 5.500 5.536 5.481 5.598 0.098 14 0 "[ . 1 . 2]" 1
436 1 18 ALA H 1 25 SER H . . 4.170 4.073 3.847 4.213 0.043 5 0 "[ . 1 . 2]" 1
437 1 18 ALA H 1 25 SER HA . . 3.080 2.920 2.731 3.109 0.029 11 0 "[ . 1 . 2]" 1
438 1 18 ALA H 1 25 SER HB2 . . 4.030 2.791 1.961 3.745 . 0 0 "[ . 1 . 2]" 1
439 1 18 ALA H 1 25 SER QB . . 3.480 2.042 1.787 3.240 . 0 0 "[ . 1 . 2]" 1
440 1 18 ALA H 1 25 SER HB3 . . 4.030 2.839 1.795 3.921 . 0 0 "[ . 1 . 2]" 1
441 1 18 ALA H 1 26 VAL H . . 5.170 4.946 4.818 5.095 . 0 0 "[ . 1 . 2]" 1
442 1 18 ALA HA 1 19 ARG H . . 2.680 2.168 2.116 2.202 . 0 0 "[ . 1 . 2]" 1
443 1 18 ALA HA 1 19 ARG HB2 . . 5.060 4.706 4.490 4.861 . 0 0 "[ . 1 . 2]" 1
444 1 18 ALA HA 1 19 ARG QD . . 4.230 3.970 3.321 4.250 0.020 6 0 "[ . 1 . 2]" 1
445 1 18 ALA HA 1 19 ARG QG . . 5.150 4.131 3.868 4.417 . 0 0 "[ . 1 . 2]" 1
446 1 18 ALA HA 1 20 ASN H . . 3.510 3.310 3.218 3.359 . 0 0 "[ . 1 . 2]" 1
447 1 18 ALA HA 1 23 GLU H . . 5.500 5.019 4.919 5.144 . 0 0 "[ . 1 . 2]" 1
448 1 18 ALA HA 1 23 GLU HA . . 5.500 5.217 5.132 5.327 . 0 0 "[ . 1 . 2]" 1
449 1 18 ALA HA 1 23 GLU HB2 . . 3.660 3.191 3.076 3.355 . 0 0 "[ . 1 . 2]" 1
450 1 18 ALA HA 1 23 GLU HB3 . . 4.740 4.598 4.502 4.740 . 0 0 "[ . 1 . 2]" 1
451 1 18 ALA HA 1 23 GLU HG2 . . 4.640 4.008 3.954 4.076 . 0 0 "[ . 1 . 2]" 1
452 1 18 ALA HA 1 23 GLU HG3 . . 3.580 2.276 2.226 2.332 . 0 0 "[ . 1 . 2]" 1
453 1 18 ALA HA 1 24 LEU H . . 4.660 3.659 3.549 3.823 . 0 0 "[ . 1 . 2]" 1
454 1 18 ALA HA 1 25 SER H . . 5.120 5.039 4.888 5.150 0.030 14 0 "[ . 1 . 2]" 1
455 1 18 ALA HA 1 25 SER HA . . 4.760 4.462 4.386 4.554 . 0 0 "[ . 1 . 2]" 1
456 1 18 ALA MB 1 19 ARG H . . 3.620 3.438 3.304 3.514 . 0 0 "[ . 1 . 2]" 1
457 1 18 ALA MB 1 19 ARG HA . . 4.610 4.442 4.255 4.537 . 0 0 "[ . 1 . 2]" 1
458 1 18 ALA MB 1 20 ASN H . . 3.350 3.116 2.935 3.213 . 0 0 "[ . 1 . 2]" 1
459 1 18 ALA MB 1 23 GLU H . . 4.150 3.818 3.721 3.889 . 0 0 "[ . 1 . 2]" 1
460 1 18 ALA MB 1 23 GLU HB2 . . 3.540 3.648 3.625 3.664 0.124 2 0 "[ . 1 . 2]" 1
461 1 18 ALA MB 1 23 GLU HG2 . . 4.260 3.740 3.651 3.879 . 0 0 "[ . 1 . 2]" 1
462 1 18 ALA MB 1 23 GLU HG3 . . 3.000 2.387 2.294 2.476 . 0 0 "[ . 1 . 2]" 1
463 1 18 ALA MB 1 24 LEU H . . 3.950 3.355 3.273 3.419 . 0 0 "[ . 1 . 2]" 1
464 1 18 ALA MB 1 24 LEU HA . . 3.240 2.230 2.142 2.312 . 0 0 "[ . 1 . 2]" 1
465 1 18 ALA MB 1 25 SER H . . 2.900 2.810 2.611 2.971 0.071 11 0 "[ . 1 . 2]" 1
466 1 18 ALA MB 1 25 SER HA . . 3.660 3.488 3.371 3.646 . 0 0 "[ . 1 . 2]" 1
467 1 18 ALA MB 1 25 SER HB2 . . 4.360 3.427 2.303 4.315 . 0 0 "[ . 1 . 2]" 1
468 1 18 ALA MB 1 25 SER QB . . 3.640 2.650 2.279 3.549 . 0 0 "[ . 1 . 2]" 1
469 1 18 ALA MB 1 25 SER HB3 . . 4.360 3.269 2.461 4.390 0.030 14 0 "[ . 1 . 2]" 1
470 1 18 ALA MB 1 26 VAL H . . 5.500 5.333 5.209 5.469 . 0 0 "[ . 1 . 2]" 1
471 1 19 ARG H 1 19 ARG HB2 . . 3.350 2.575 2.393 2.708 . 0 0 "[ . 1 . 2]" 1
472 1 19 ARG H 1 19 ARG HD2 . . 4.240 3.263 2.459 4.180 . 0 0 "[ . 1 . 2]" 1
473 1 19 ARG H 1 19 ARG QD . . 3.450 2.646 2.098 2.998 . 0 0 "[ . 1 . 2]" 1
474 1 19 ARG H 1 19 ARG HD3 . . 4.240 3.224 2.111 4.115 . 0 0 "[ . 1 . 2]" 1
475 1 19 ARG H 1 19 ARG QG . . 3.550 2.580 2.140 2.939 . 0 0 "[ . 1 . 2]" 1
476 1 19 ARG H 1 20 ASN H . . 2.620 2.446 2.182 2.573 . 0 0 "[ . 1 . 2]" 1
477 1 19 ARG H 1 20 ASN QD . . 5.070 4.124 3.757 4.458 . 0 0 "[ . 1 . 2]" 1
478 1 19 ARG H 1 23 GLU H . . 5.500 5.477 5.250 5.557 0.057 16 0 "[ . 1 . 2]" 1
479 1 19 ARG H 1 23 GLU HB2 . . 4.460 4.103 3.990 4.291 . 0 0 "[ . 1 . 2]" 1
480 1 19 ARG H 1 23 GLU HB3 . . 5.090 4.886 4.780 5.056 . 0 0 "[ . 1 . 2]" 1
481 1 19 ARG H 1 23 GLU HG2 . . 4.780 3.804 3.560 3.964 . 0 0 "[ . 1 . 2]" 1
482 1 19 ARG H 1 23 GLU HG3 . . 3.390 2.692 2.407 2.835 . 0 0 "[ . 1 . 2]" 1
483 1 19 ARG HA 1 19 ARG HD2 . . 4.870 3.984 2.406 4.863 . 0 0 "[ . 1 . 2]" 1
484 1 19 ARG HA 1 19 ARG QD . . 4.070 3.533 2.387 4.101 0.031 8 0 "[ . 1 . 2]" 1
485 1 19 ARG HA 1 19 ARG HD3 . . 4.870 4.261 3.953 4.640 . 0 0 "[ . 1 . 2]" 1
486 1 19 ARG HA 1 19 ARG HG2 . . 4.070 3.331 3.067 3.531 . 0 0 "[ . 1 . 2]" 1
487 1 19 ARG HA 1 19 ARG QG . . 3.340 2.700 2.411 3.264 . 0 0 "[ . 1 . 2]" 1
488 1 19 ARG HA 1 19 ARG HG3 . . 4.070 2.944 2.481 3.886 . 0 0 "[ . 1 . 2]" 1
489 1 19 ARG HA 1 20 ASN H . . 3.400 3.386 3.255 3.446 0.046 8 0 "[ . 1 . 2]" 1
490 1 19 ARG HB2 1 19 ARG QD . . 3.520 2.682 2.159 3.547 0.027 5 0 "[ . 1 . 2]" 1
491 1 19 ARG HB2 1 20 ASN H . . 3.660 3.375 3.157 3.640 . 0 0 "[ . 1 . 2]" 1
492 1 19 ARG HB2 1 20 ASN QB . . 5.090 4.205 3.892 4.521 . 0 0 "[ . 1 . 2]" 1
493 1 19 ARG HB3 1 20 ASN H . . 5.120 4.252 4.055 4.404 . 0 0 "[ . 1 . 2]" 1
494 1 19 ARG QD 1 20 ASN H . . 4.900 4.562 4.132 4.810 . 0 0 "[ . 1 . 2]" 1
495 1 19 ARG QG 1 20 ASN H . . 4.380 4.399 4.224 4.478 0.098 12 0 "[ . 1 . 2]" 1
496 1 20 ASN H 1 20 ASN QB . . 3.360 2.867 2.689 3.408 0.048 8 0 "[ . 1 . 2]" 1
497 1 20 ASN H 1 20 ASN QD . . 4.400 3.412 3.190 3.876 . 0 0 "[ . 1 . 2]" 1
498 1 20 ASN H 1 22 SER H . . 5.110 4.755 4.666 4.954 . 0 0 "[ . 1 . 2]" 1
499 1 20 ASN H 1 23 GLU HG2 . . 3.430 2.548 2.464 2.716 . 0 0 "[ . 1 . 2]" 1
500 1 20 ASN H 1 23 GLU HG3 . . 3.050 2.182 2.093 2.334 . 0 0 "[ . 1 . 2]" 1
501 1 20 ASN H 1 24 LEU H . . 5.500 5.659 5.608 5.731 0.231 11 0 "[ . 1 . 2]" 1
502 1 20 ASN QB 1 22 SER H . . 3.930 2.500 2.384 2.754 . 0 0 "[ . 1 . 2]" 1
503 1 20 ASN QB 1 23 GLU H . . 3.900 3.468 3.251 4.146 0.246 13 0 "[ . 1 . 2]" 1
504 1 20 ASN QB 1 23 GLU HG3 . . 5.210 3.713 3.464 4.872 . 0 0 "[ . 1 . 2]" 1
505 1 20 ASN QD 1 22 SER H . . 5.250 4.868 2.927 5.219 . 0 0 "[ . 1 . 2]" 1
506 1 20 ASN QD 1 23 GLU HG2 . . 4.320 3.478 2.208 3.947 . 0 0 "[ . 1 . 2]" 1
507 1 20 ASN QD 1 23 GLU HG3 . . 4.830 4.360 3.603 4.814 . 0 0 "[ . 1 . 2]" 1
508 1 21 SER HA 1 23 GLU H . . 3.950 3.680 3.536 3.794 . 0 0 "[ . 1 . 2]" 1
509 1 21 SER HA 2 12 ARG QD . . 4.470 4.459 4.296 4.606 0.136 13 0 "[ . 1 . 2]" 1
510 1 21 SER QB 1 23 GLU H . . 5.340 4.600 4.504 4.713 . 0 0 "[ . 1 . 2]" 1
511 1 21 SER QB 2 12 ARG QD . . 3.600 2.223 1.944 2.596 . 0 0 "[ . 1 . 2]" 1
512 1 21 SER HB2 1 22 SER H . . 4.520 3.179 3.031 3.970 . 0 0 "[ . 1 . 2]" 1
513 1 21 SER HB2 2 11 ILE MG . . 4.480 4.446 4.190 4.580 0.100 8 0 "[ . 1 . 2]" 1
514 1 21 SER HB2 2 12 ARG QD . . 4.110 2.273 1.975 2.627 . 0 0 "[ . 1 . 2]" 1
515 1 21 SER HB2 2 12 ARG QG . . 4.070 2.769 2.329 4.078 0.008 8 0 "[ . 1 . 2]" 1
516 1 21 SER HB3 1 22 SER H . . 4.520 4.052 3.056 4.231 . 0 0 "[ . 1 . 2]" 1
517 1 21 SER HB3 2 11 ILE MG . . 4.480 4.238 3.179 4.513 0.033 10 0 "[ . 1 . 2]" 1
518 1 21 SER HB3 2 12 ARG QD . . 4.110 3.540 2.245 4.153 0.043 1 0 "[ . 1 . 2]" 1
519 1 21 SER HB3 2 12 ARG QG . . 4.070 3.961 3.090 4.124 0.054 17 0 "[ . 1 . 2]" 1
520 1 22 SER H 1 22 SER HB2 . . 3.690 3.552 2.683 3.705 0.015 13 0 "[ . 1 . 2]" 1
521 1 22 SER H 1 22 SER QB . . 3.110 2.638 2.530 2.776 . 0 0 "[ . 1 . 2]" 1
522 1 22 SER H 1 22 SER HB3 . . 3.690 2.765 2.582 3.681 . 0 0 "[ . 1 . 2]" 1
523 1 22 SER H 1 23 GLU H . . 2.820 2.617 2.482 2.734 . 0 0 "[ . 1 . 2]" 1
524 1 22 SER H 1 23 GLU HB3 . . 5.500 5.133 5.032 5.355 . 0 0 "[ . 1 . 2]" 1
525 1 22 SER H 1 23 GLU HG2 . . 4.350 3.440 3.309 3.729 . 0 0 "[ . 1 . 2]" 1
526 1 22 SER H 1 23 GLU HG3 . . 5.500 4.859 4.716 5.042 . 0 0 "[ . 1 . 2]" 1
527 1 22 SER HA 2 11 ILE HB . . 3.600 2.079 1.990 2.191 . 0 0 "[ . 1 . 2]" 1
528 1 22 SER HA 2 11 ILE MD . . 4.520 2.576 2.103 3.883 . 0 0 "[ . 1 . 2]" 1
529 1 22 SER HA 2 11 ILE HG12 . . 3.840 3.510 2.370 3.904 0.064 9 0 "[ . 1 . 2]" 1
530 1 22 SER HA 2 11 ILE QG . . 3.320 2.359 2.054 2.500 . 0 0 "[ . 1 . 2]" 1
531 1 22 SER HA 2 11 ILE HG13 . . 3.840 2.435 2.140 2.530 . 0 0 "[ . 1 . 2]" 1
532 1 22 SER HA 2 11 ILE MG . . 3.290 3.349 3.218 3.423 0.133 17 0 "[ . 1 . 2]" 1
533 1 22 SER QB 1 23 GLU HA . . 5.340 4.544 4.309 4.711 . 0 0 "[ . 1 . 2]" 1
534 1 22 SER QB 1 23 GLU HG2 . . 4.700 4.337 3.771 4.507 . 0 0 "[ . 1 . 2]" 1
535 1 22 SER QB 1 53 TYR QD . . 3.580 2.657 2.371 2.877 . 0 0 "[ . 1 . 2]" 1
536 1 22 SER QB 1 53 TYR QE . . 4.000 3.856 3.216 4.053 0.053 18 0 "[ . 1 . 2]" 1
537 1 22 SER QB 2 10 PRO HA . . 3.460 3.065 2.510 3.407 . 0 0 "[ . 1 . 2]" 1
538 1 22 SER QB 2 10 PRO QB . . 4.240 3.144 2.632 3.535 . 0 0 "[ . 1 . 2]" 1
539 1 22 SER QB 2 11 ILE H . . 3.780 2.054 1.796 2.314 . 0 0 "[ . 1 . 2]" 1
540 1 22 SER QB 2 11 ILE HB . . 3.760 2.743 2.438 3.163 . 0 0 "[ . 1 . 2]" 1
541 1 22 SER QB 2 11 ILE MD . . 3.950 3.465 3.102 3.979 0.029 16 0 "[ . 1 . 2]" 1
542 1 22 SER QB 2 11 ILE QG . . 3.320 2.398 2.040 2.563 . 0 0 "[ . 1 . 2]" 1
543 1 22 SER HB2 1 23 GLU H . . 4.350 4.071 3.623 4.211 . 0 0 "[ . 1 . 2]" 1
544 1 22 SER HB2 1 23 GLU HG2 . . 5.380 4.725 3.869 5.182 . 0 0 "[ . 1 . 2]" 1
545 1 22 SER HB2 2 10 PRO HA . . 4.000 3.348 2.696 4.057 0.057 14 0 "[ . 1 . 2]" 1
546 1 22 SER HB2 2 11 ILE H . . 4.440 2.900 2.549 3.449 . 0 0 "[ . 1 . 2]" 1
547 1 22 SER HB2 2 11 ILE HB . . 4.350 3.696 3.412 4.221 . 0 0 "[ . 1 . 2]" 1
548 1 22 SER HB2 2 11 ILE HG12 . . 4.460 3.976 2.696 4.520 0.060 2 0 "[ . 1 . 2]" 1
549 1 22 SER HB2 2 11 ILE HG13 . . 4.460 2.954 2.090 4.585 0.125 14 0 "[ . 1 . 2]" 1
550 1 22 SER HB3 1 23 GLU H . . 4.350 4.321 4.067 4.416 0.066 15 0 "[ . 1 . 2]" 1
551 1 22 SER HB3 1 23 GLU HG2 . . 5.380 5.079 4.919 5.339 . 0 0 "[ . 1 . 2]" 1
552 1 22 SER HB3 2 10 PRO HA . . 4.000 3.631 2.951 4.073 0.073 5 0 "[ . 1 . 2]" 1
553 1 22 SER HB3 2 11 ILE H . . 4.440 2.122 1.809 2.476 . 0 0 "[ . 1 . 2]" 1
554 1 22 SER HB3 2 11 ILE HB . . 4.350 2.831 2.487 3.268 . 0 0 "[ . 1 . 2]" 1
555 1 22 SER HB3 2 11 ILE HG12 . . 4.460 4.066 2.230 4.510 0.050 7 0 "[ . 1 . 2]" 1
556 1 22 SER HB3 2 11 ILE HG13 . . 4.460 3.173 2.778 4.342 . 0 0 "[ . 1 . 2]" 1
557 1 23 GLU H 1 23 GLU HG2 . . 3.040 2.068 1.982 2.197 . 0 0 "[ . 1 . 2]" 1
558 1 23 GLU H 1 23 GLU HG3 . . 3.010 2.914 2.823 3.038 0.028 19 0 "[ . 1 . 2]" 1
559 1 23 GLU H 1 24 LEU H . . 4.580 4.383 4.348 4.437 . 0 0 "[ . 1 . 2]" 1
560 1 23 GLU H 1 24 LEU HG . . 5.080 5.016 4.805 5.131 0.051 13 0 "[ . 1 . 2]" 1
561 1 23 GLU H 1 52 GLY HA3 . . 4.920 4.708 4.515 4.890 . 0 0 "[ . 1 . 2]" 1
562 1 23 GLU H 1 53 TYR H . . 4.680 4.322 4.184 4.504 . 0 0 "[ . 1 . 2]" 1
563 1 23 GLU H 1 53 TYR HB2 . . 5.200 5.185 4.854 5.252 0.052 17 0 "[ . 1 . 2]" 1
564 1 23 GLU HA 1 23 GLU HG2 . . 4.040 3.691 3.672 3.710 . 0 0 "[ . 1 . 2]" 1
565 1 23 GLU HA 1 23 GLU HG3 . . 3.960 3.833 3.809 3.874 . 0 0 "[ . 1 . 2]" 1
566 1 23 GLU HA 1 24 LEU H . . 2.880 2.535 2.424 2.588 . 0 0 "[ . 1 . 2]" 1
567 1 23 GLU HA 1 24 LEU HB2 . . 4.720 4.165 4.028 4.263 . 0 0 "[ . 1 . 2]" 1
568 1 23 GLU HA 1 24 LEU MD1 . . 4.950 4.594 4.378 4.711 . 0 0 "[ . 1 . 2]" 1
569 1 23 GLU HA 1 24 LEU MD2 . . 5.120 4.690 4.613 4.760 . 0 0 "[ . 1 . 2]" 1
570 1 23 GLU HA 1 24 LEU HG . . 4.500 3.514 3.350 3.607 . 0 0 "[ . 1 . 2]" 1
571 1 23 GLU HA 1 41 TRP HZ3 . . 4.830 4.344 3.868 4.660 . 0 0 "[ . 1 . 2]" 1
572 1 23 GLU HA 1 52 GLY HA3 . . 4.380 3.284 3.110 3.370 . 0 0 "[ . 1 . 2]" 1
573 1 23 GLU HA 1 53 TYR H . . 3.230 1.992 1.778 2.155 . 0 0 "[ . 1 . 2]" 1
574 1 23 GLU HA 1 53 TYR HA . . 4.970 4.456 4.350 4.540 . 0 0 "[ . 1 . 2]" 1
575 1 23 GLU HA 1 53 TYR HB2 . . 3.870 3.171 3.020 3.316 . 0 0 "[ . 1 . 2]" 1
576 1 23 GLU HA 1 53 TYR HB3 . . 4.560 4.540 4.374 4.629 0.069 6 0 "[ . 1 . 2]" 1
577 1 23 GLU HA 1 53 TYR QD . . 4.420 4.345 4.148 4.446 0.026 6 0 "[ . 1 . 2]" 1
578 1 23 GLU HA 1 54 VAL MG1 . . 4.570 4.188 4.028 4.299 . 0 0 "[ . 1 . 2]" 1
579 1 23 GLU HB2 1 24 LEU H . . 3.380 1.977 1.924 2.037 . 0 0 "[ . 1 . 2]" 1
580 1 23 GLU HB2 1 41 TRP HZ3 . . 4.000 3.201 2.953 3.409 . 0 0 "[ . 1 . 2]" 1
581 1 23 GLU HB2 1 53 TYR H . . 4.630 4.382 4.144 4.571 . 0 0 "[ . 1 . 2]" 1
582 1 23 GLU HB2 1 54 VAL MG1 . . 4.100 4.088 3.996 4.144 0.044 15 0 "[ . 1 . 2]" 1
583 1 23 GLU HB3 1 24 LEU H . . 3.810 3.397 3.286 3.449 . 0 0 "[ . 1 . 2]" 1
584 1 23 GLU HB3 1 41 TRP HE3 . . 5.130 4.268 3.858 4.479 . 0 0 "[ . 1 . 2]" 1
585 1 23 GLU HB3 1 41 TRP HH2 . . 5.200 4.748 4.168 5.067 . 0 0 "[ . 1 . 2]" 1
586 1 23 GLU HB3 1 41 TRP HZ3 . . 3.520 3.041 2.716 3.269 . 0 0 "[ . 1 . 2]" 1
587 1 23 GLU HB3 1 53 TYR H . . 4.590 3.911 3.673 4.053 . 0 0 "[ . 1 . 2]" 1
588 1 23 GLU HG2 1 24 LEU H . . 4.650 4.474 4.398 4.546 . 0 0 "[ . 1 . 2]" 1
589 1 23 GLU HG3 1 24 LEU H . . 4.180 3.516 3.393 3.612 . 0 0 "[ . 1 . 2]" 1
590 1 23 GLU HG3 1 24 LEU HA . . 4.380 4.490 4.450 4.521 0.141 9 0 "[ . 1 . 2]" 1
591 1 24 LEU H 1 24 LEU HB2 . . 3.150 2.697 2.654 2.766 . 0 0 "[ . 1 . 2]" 1
592 1 24 LEU H 1 24 LEU HB3 . . 3.900 3.820 3.795 3.859 . 0 0 "[ . 1 . 2]" 1
593 1 24 LEU H 1 24 LEU MD1 . . 4.380 4.267 4.208 4.310 . 0 0 "[ . 1 . 2]" 1
594 1 24 LEU H 1 24 LEU MD2 . . 4.380 4.194 4.140 4.253 . 0 0 "[ . 1 . 2]" 1
595 1 24 LEU H 1 24 LEU HG . . 4.380 3.469 3.414 3.544 . 0 0 "[ . 1 . 2]" 1
596 1 24 LEU H 1 25 SER H . . 4.660 4.462 4.407 4.499 . 0 0 "[ . 1 . 2]" 1
597 1 24 LEU H 1 26 VAL MG1 . . 5.200 4.910 4.739 5.082 . 0 0 "[ . 1 . 2]" 1
598 1 24 LEU H 1 41 TRP HZ3 . . 4.770 4.324 4.152 4.518 . 0 0 "[ . 1 . 2]" 1
599 1 24 LEU H 1 52 GLY HA3 . . 4.650 4.640 4.446 4.726 0.076 19 0 "[ . 1 . 2]" 1
600 1 24 LEU H 1 53 TYR H . . 4.000 4.042 3.658 4.159 0.159 17 0 "[ . 1 . 2]" 1
601 1 24 LEU H 1 54 VAL HA . . 5.030 4.338 4.219 4.470 . 0 0 "[ . 1 . 2]" 1
602 1 24 LEU H 1 54 VAL MG1 . . 3.510 3.060 2.958 3.201 . 0 0 "[ . 1 . 2]" 1
603 1 24 LEU H 1 54 VAL MG2 . . 5.500 5.450 5.340 5.531 0.031 2 0 "[ . 1 . 2]" 1
604 1 24 LEU HA 1 24 LEU MD1 . . 3.920 3.888 3.862 3.929 0.009 8 0 "[ . 1 . 2]" 1
605 1 24 LEU HA 1 24 LEU MD2 . . 2.900 2.167 2.131 2.228 . 0 0 "[ . 1 . 2]" 1
606 1 24 LEU HA 1 25 SER QB . . 4.270 4.078 3.781 4.323 0.053 11 0 "[ . 1 . 2]" 1
607 1 24 LEU HB2 1 25 SER H . . 3.800 3.761 3.666 3.845 0.045 9 0 "[ . 1 . 2]" 1
608 1 24 LEU HB2 1 25 SER HA . . 5.500 5.119 5.052 5.173 . 0 0 "[ . 1 . 2]" 1
609 1 24 LEU HB2 1 52 GLY HA3 . . 4.260 4.300 4.232 4.337 0.077 17 0 "[ . 1 . 2]" 1
610 1 24 LEU HB2 1 53 TYR H . . 4.840 4.615 3.895 4.832 . 0 0 "[ . 1 . 2]" 1
611 1 24 LEU HB2 1 54 VAL MG1 . . 3.130 2.416 2.223 2.631 . 0 0 "[ . 1 . 2]" 1
612 1 24 LEU HB3 1 25 SER H . . 3.080 2.464 2.323 2.624 . 0 0 "[ . 1 . 2]" 1
613 1 24 LEU HB3 1 25 SER HA . . 5.140 4.553 4.456 4.608 . 0 0 "[ . 1 . 2]" 1
614 1 24 LEU HB3 1 54 VAL MG1 . . 4.400 3.591 3.331 3.845 . 0 0 "[ . 1 . 2]" 1
615 1 24 LEU MD1 1 25 SER H . . 4.640 4.323 4.165 4.518 . 0 0 "[ . 1 . 2]" 1
616 1 24 LEU MD1 1 43 LYS HA . . 5.500 5.066 4.756 5.364 . 0 0 "[ . 1 . 2]" 1
617 1 24 LEU MD1 1 44 VAL H . . 4.350 3.788 3.475 4.058 . 0 0 "[ . 1 . 2]" 1
618 1 24 LEU MD1 1 45 ARG HA . . 4.120 2.970 2.816 3.085 . 0 0 "[ . 1 . 2]" 1
619 1 24 LEU MD1 1 46 ASP H . . 3.620 2.896 2.834 2.958 . 0 0 "[ . 1 . 2]" 1
620 1 24 LEU MD1 1 46 ASP HA . . 4.680 4.321 4.041 4.488 . 0 0 "[ . 1 . 2]" 1
621 1 24 LEU MD1 1 46 ASP QB . . 3.370 3.050 2.504 3.385 0.015 1 0 "[ . 1 . 2]" 1
622 1 24 LEU MD1 1 50 GLN HA . . 5.040 4.584 4.423 4.732 . 0 0 "[ . 1 . 2]" 1
623 1 24 LEU MD1 1 50 GLN HB2 . . 4.970 3.400 3.222 3.630 . 0 0 "[ . 1 . 2]" 1
624 1 24 LEU MD1 1 50 GLN HB3 . . 3.860 3.721 3.498 3.930 0.070 16 0 "[ . 1 . 2]" 1
625 1 24 LEU MD1 1 50 GLN HE21 . . 5.460 4.877 4.561 5.202 . 0 0 "[ . 1 . 2]" 1
626 1 24 LEU MD1 1 51 GLU H . . 4.390 3.834 3.711 4.040 . 0 0 "[ . 1 . 2]" 1
627 1 24 LEU MD1 1 51 GLU HA . . 3.860 2.356 2.225 2.572 . 0 0 "[ . 1 . 2]" 1
628 1 24 LEU MD1 1 51 GLU HG3 . . 5.500 4.649 4.352 4.959 . 0 0 "[ . 1 . 2]" 1
629 1 24 LEU MD1 1 52 GLY H . . 3.400 2.573 2.465 2.749 . 0 0 "[ . 1 . 2]" 1
630 1 24 LEU MD1 1 52 GLY HA3 . . 4.040 3.003 2.841 3.123 . 0 0 "[ . 1 . 2]" 1
631 1 24 LEU MD2 1 25 SER H . . 3.470 3.146 3.068 3.276 . 0 0 "[ . 1 . 2]" 1
632 1 24 LEU MD2 1 45 ARG HA . . 5.000 4.672 4.397 4.855 . 0 0 "[ . 1 . 2]" 1
633 1 24 LEU MD2 1 46 ASP H . . 4.390 4.062 3.733 4.220 . 0 0 "[ . 1 . 2]" 1
634 1 24 LEU MD2 1 46 ASP QB . . 3.910 3.410 3.032 3.693 . 0 0 "[ . 1 . 2]" 1
635 1 24 LEU MD2 1 50 GLN HA . . 4.520 3.909 3.751 4.109 . 0 0 "[ . 1 . 2]" 1
636 1 24 LEU MD2 1 50 GLN HB2 . . 3.770 2.582 2.503 2.676 . 0 0 "[ . 1 . 2]" 1
637 1 24 LEU MD2 1 50 GLN HB3 . . 3.120 2.293 2.213 2.334 . 0 0 "[ . 1 . 2]" 1
638 1 24 LEU MD2 1 50 GLN HE21 . . 4.330 3.379 2.962 3.783 . 0 0 "[ . 1 . 2]" 1
639 1 24 LEU MD2 1 50 GLN HE22 . . 5.030 3.873 3.622 4.124 . 0 0 "[ . 1 . 2]" 1
640 1 24 LEU MD2 1 50 GLN HG2 . . 4.430 4.422 4.334 4.460 0.030 13 0 "[ . 1 . 2]" 1
641 1 24 LEU MD2 1 50 GLN QG . . 3.890 3.889 3.836 3.924 0.034 9 0 "[ . 1 . 2]" 1
642 1 24 LEU MD2 1 50 GLN HG3 . . 4.430 4.314 4.225 4.400 . 0 0 "[ . 1 . 2]" 1
643 1 24 LEU MD2 1 51 GLU H . . 4.260 3.583 3.312 4.038 . 0 0 "[ . 1 . 2]" 1
644 1 24 LEU MD2 1 51 GLU HA . . 4.210 3.805 3.538 4.176 . 0 0 "[ . 1 . 2]" 1
645 1 24 LEU MD2 1 52 GLY H . . 4.590 4.211 4.005 4.484 . 0 0 "[ . 1 . 2]" 1
646 1 24 LEU MD2 1 52 GLY HA3 . . 3.770 3.407 3.300 3.544 . 0 0 "[ . 1 . 2]" 1
647 1 24 LEU HG 1 25 SER H . . 5.240 4.734 4.673 4.825 . 0 0 "[ . 1 . 2]" 1
648 1 24 LEU HG 1 52 GLY HA3 . . 4.650 2.218 2.159 2.317 . 0 0 "[ . 1 . 2]" 1
649 1 25 SER H 1 25 SER HB2 . . 3.710 3.230 2.426 3.746 0.036 18 0 "[ . 1 . 2]" 1
650 1 25 SER H 1 25 SER QB . . 3.050 2.640 2.340 2.978 . 0 0 "[ . 1 . 2]" 1
651 1 25 SER H 1 25 SER HB3 . . 3.710 2.863 2.537 3.666 . 0 0 "[ . 1 . 2]" 1
652 1 25 SER H 1 26 VAL H . . 4.460 4.374 4.232 4.487 0.027 9 0 "[ . 1 . 2]" 1
653 1 25 SER H 1 26 VAL MG1 . . 4.400 3.654 3.403 3.901 . 0 0 "[ . 1 . 2]" 1
654 1 25 SER H 1 26 VAL MG2 . . 5.500 5.119 4.874 5.444 . 0 0 "[ . 1 . 2]" 1
655 1 25 SER H 1 46 ASP QB . . 5.330 5.177 4.575 5.397 0.067 14 0 "[ . 1 . 2]" 1
656 1 25 SER H 1 54 VAL MG1 . . 5.500 4.908 4.727 5.130 . 0 0 "[ . 1 . 2]" 1
657 1 25 SER HA 1 26 VAL H . . 2.450 2.147 2.120 2.182 . 0 0 "[ . 1 . 2]" 1
658 1 25 SER HA 1 26 VAL MG1 . . 4.270 3.741 3.577 3.835 . 0 0 "[ . 1 . 2]" 1
659 1 25 SER HA 1 26 VAL MG2 . . 3.860 3.795 3.641 3.907 0.047 17 0 "[ . 1 . 2]" 1
660 1 25 SER QB 1 26 VAL H . . 3.930 3.555 3.115 3.920 . 0 0 "[ . 1 . 2]" 1
661 1 25 SER HB2 1 26 VAL H . . 4.640 3.931 3.206 4.479 . 0 0 "[ . 1 . 2]" 1
662 1 25 SER HB3 1 26 VAL H . . 4.640 4.216 3.539 4.395 . 0 0 "[ . 1 . 2]" 1
663 1 26 VAL H 1 26 VAL HB . . 3.940 3.924 3.873 3.972 0.032 17 0 "[ . 1 . 2]" 1
664 1 26 VAL H 1 26 VAL MG1 . . 3.440 3.076 2.942 3.179 . 0 0 "[ . 1 . 2]" 1
665 1 26 VAL H 1 26 VAL MG2 . . 2.910 2.461 2.348 2.606 . 0 0 "[ . 1 . 2]" 1
666 1 26 VAL H 1 27 LYS QG . . 5.500 4.607 4.242 5.573 0.073 17 0 "[ . 1 . 2]" 1
667 1 26 VAL H 1 58 ILE MD . . 4.860 4.782 4.686 4.864 0.004 9 0 "[ . 1 . 2]" 1
668 1 26 VAL HA 1 26 VAL HB . . 3.010 2.420 2.382 2.463 . 0 0 "[ . 1 . 2]" 1
669 1 26 VAL HA 1 26 VAL MG1 . . 2.940 2.455 2.412 2.516 . 0 0 "[ . 1 . 2]" 1
670 1 26 VAL HA 1 26 VAL MG2 . . 3.550 3.275 3.271 3.282 . 0 0 "[ . 1 . 2]" 1
671 1 26 VAL HA 1 27 LYS H . . 2.550 2.377 2.306 2.435 . 0 0 "[ . 1 . 2]" 1
672 1 26 VAL HA 1 27 LYS QE . . 4.850 4.664 3.477 4.898 0.048 19 0 "[ . 1 . 2]" 1
673 1 26 VAL HA 1 27 LYS QG . . 4.200 3.413 3.099 3.711 . 0 0 "[ . 1 . 2]" 1
674 1 26 VAL HA 1 32 LEU MD1 . . 4.600 4.363 4.220 4.520 . 0 0 "[ . 1 . 2]" 1
675 1 26 VAL HB 1 27 LYS H . . 2.780 2.453 2.259 2.567 . 0 0 "[ . 1 . 2]" 1
676 1 26 VAL HB 1 27 LYS QG . . 4.900 4.740 4.296 4.988 0.088 12 0 "[ . 1 . 2]" 1
677 1 26 VAL HB 1 30 ASP HB2 . . 3.920 3.884 3.645 3.967 0.047 10 0 "[ . 1 . 2]" 1
678 1 26 VAL HB 1 32 LEU MD1 . . 3.780 2.603 2.412 2.744 . 0 0 "[ . 1 . 2]" 1
679 1 26 VAL HB 1 32 LEU MD2 . . 4.360 3.581 3.293 3.756 . 0 0 "[ . 1 . 2]" 1
680 1 26 VAL MG1 1 27 LYS H . . 3.780 3.769 3.717 3.824 0.044 19 0 "[ . 1 . 2]" 1
681 1 26 VAL MG1 1 46 ASP HA . . 3.980 4.004 3.787 4.098 0.118 11 0 "[ . 1 . 2]" 1
682 1 26 VAL MG1 1 46 ASP QB . . 4.520 3.824 3.212 4.092 . 0 0 "[ . 1 . 2]" 1
683 1 26 VAL MG2 1 27 LYS H . . 3.740 3.450 3.200 3.581 . 0 0 "[ . 1 . 2]" 1
684 1 26 VAL MG2 1 27 LYS HA . . 4.450 3.932 3.737 4.101 . 0 0 "[ . 1 . 2]" 1
685 1 26 VAL MG2 1 54 VAL HB . . 4.030 3.520 3.363 3.729 . 0 0 "[ . 1 . 2]" 1
686 1 26 VAL MG2 1 58 ILE MD . . 2.980 2.235 2.131 2.365 . 0 0 "[ . 1 . 2]" 1
687 1 27 LYS H 1 27 LYS QB . . 3.630 2.725 2.483 3.161 . 0 0 "[ . 1 . 2]" 1
688 1 27 LYS H 1 27 LYS QG . . 3.290 2.821 2.214 3.289 . 0 0 "[ . 1 . 2]" 1
689 1 27 LYS H 1 30 ASP H . . 5.500 4.912 4.722 5.003 . 0 0 "[ . 1 . 2]" 1
690 1 27 LYS H 1 30 ASP HB2 . . 3.640 3.192 3.105 3.263 . 0 0 "[ . 1 . 2]" 1
691 1 27 LYS H 1 30 ASP HB3 . . 4.420 4.319 4.238 4.394 . 0 0 "[ . 1 . 2]" 1
692 1 27 LYS H 1 32 LEU MD1 . . 4.960 4.489 4.270 4.688 . 0 0 "[ . 1 . 2]" 1
693 1 27 LYS H 1 32 LEU MD2 . . 5.370 4.622 4.327 4.788 . 0 0 "[ . 1 . 2]" 1
694 1 27 LYS HA 1 27 LYS QD . . 4.440 3.824 2.192 4.477 0.037 10 0 "[ . 1 . 2]" 1
695 1 27 LYS HA 1 27 LYS QG . . 3.450 2.670 2.327 3.355 . 0 0 "[ . 1 . 2]" 1
696 1 27 LYS HA 1 28 GLN H . . 2.520 2.243 2.218 2.272 . 0 0 "[ . 1 . 2]" 1
697 1 27 LYS HA 1 28 GLN HA . . 4.500 4.349 4.282 4.392 . 0 0 "[ . 1 . 2]" 1
698 1 27 LYS HA 1 28 GLN HB3 . . 5.090 4.777 4.698 4.830 . 0 0 "[ . 1 . 2]" 1
699 1 27 LYS QB 1 27 LYS QE . . 4.300 3.211 2.053 3.789 . 0 0 "[ . 1 . 2]" 1
700 1 27 LYS QB 1 28 GLN H . . 3.930 2.727 2.634 2.797 . 0 0 "[ . 1 . 2]" 1
701 1 27 LYS HB2 1 27 LYS QE . . 5.120 3.719 2.108 4.471 . 0 0 "[ . 1 . 2]" 1
702 1 27 LYS HB3 1 27 LYS QE . . 5.120 3.678 2.079 4.243 . 0 0 "[ . 1 . 2]" 1
703 1 27 LYS QG 1 28 GLN H . . 4.340 4.048 3.780 4.371 0.031 3 0 "[ . 1 . 2]" 1
704 1 28 GLN H 1 28 GLN HB2 . . 3.650 3.644 3.615 3.683 0.033 9 0 "[ . 1 . 2]" 1
705 1 28 GLN H 1 28 GLN HB3 . . 2.770 2.761 2.729 2.781 0.011 3 0 "[ . 1 . 2]" 1
706 1 28 GLN H 1 28 GLN HG2 . . 3.490 2.103 2.019 2.201 . 0 0 "[ . 1 . 2]" 1
707 1 28 GLN H 1 30 ASP HB2 . . 5.500 5.599 5.553 5.628 0.128 13 0 "[ . 1 . 2]" 1
708 1 28 GLN HA 1 28 GLN HG2 . . 4.080 3.789 3.721 3.831 . 0 0 "[ . 1 . 2]" 1
709 1 28 GLN HA 1 29 ARG H . . 2.660 2.215 2.176 2.250 . 0 0 "[ . 1 . 2]" 1
710 1 28 GLN HA 1 29 ARG HB2 . . 5.080 5.109 5.094 5.133 0.053 19 0 "[ . 1 . 2]" 1
711 1 28 GLN HA 1 29 ARG QG . . 4.270 4.215 4.165 4.275 0.005 11 0 "[ . 1 . 2]" 1
712 1 28 GLN HA 1 30 ASP H . . 3.760 3.280 3.190 3.316 . 0 0 "[ . 1 . 2]" 1
713 1 28 GLN HB2 1 29 ARG H . . 4.270 2.659 2.579 2.733 . 0 0 "[ . 1 . 2]" 1
714 1 28 GLN HB2 1 29 ARG HA . . 4.960 4.408 4.355 4.462 . 0 0 "[ . 1 . 2]" 1
715 1 28 GLN HB2 1 29 ARG QD . . 4.790 3.265 3.142 3.387 . 0 0 "[ . 1 . 2]" 1
716 1 28 GLN HB3 1 29 ARG H . . 4.090 3.728 3.671 3.789 . 0 0 "[ . 1 . 2]" 1
717 1 28 GLN HB3 1 29 ARG QD . . 5.340 4.822 4.669 5.007 . 0 0 "[ . 1 . 2]" 1
718 1 28 GLN HB3 1 58 ILE HB . . 5.500 5.617 5.589 5.650 0.150 14 0 "[ . 1 . 2]" 1
719 1 28 GLN HG3 1 29 ARG H . . 4.380 4.282 4.141 4.372 . 0 0 "[ . 1 . 2]" 1
720 1 28 GLN HG3 1 29 ARG QG . . 3.520 2.829 2.543 3.008 . 0 0 "[ . 1 . 2]" 1
721 1 29 ARG H 1 29 ARG HA . . 2.900 2.249 2.239 2.259 . 0 0 "[ . 1 . 2]" 1
722 1 29 ARG H 1 29 ARG HB2 . . 4.190 3.838 3.813 3.856 . 0 0 "[ . 1 . 2]" 1
723 1 29 ARG H 1 29 ARG QG . . 3.940 3.160 3.080 3.273 . 0 0 "[ . 1 . 2]" 1
724 1 29 ARG H 1 30 ASP H . . 3.190 2.637 2.600 2.701 . 0 0 "[ . 1 . 2]" 1
725 1 29 ARG H 1 30 ASP HA . . 5.420 5.361 5.330 5.421 0.001 19 0 "[ . 1 . 2]" 1
726 1 29 ARG HA 1 29 ARG HD2 . . 4.340 2.600 2.313 3.244 . 0 0 "[ . 1 . 2]" 1
727 1 29 ARG HA 1 29 ARG QD . . 3.800 2.352 2.252 2.452 . 0 0 "[ . 1 . 2]" 1
728 1 29 ARG HA 1 29 ARG HD3 . . 4.340 3.428 2.313 4.003 . 0 0 "[ . 1 . 2]" 1
729 1 29 ARG HA 1 29 ARG QG . . 3.320 3.179 3.132 3.277 . 0 0 "[ . 1 . 2]" 1
730 1 29 ARG HB2 1 29 ARG QD . . 3.720 3.484 3.348 3.562 . 0 0 "[ . 1 . 2]" 1
731 1 29 ARG HB2 1 30 ASP H . . 5.040 4.050 3.955 4.110 . 0 0 "[ . 1 . 2]" 1
732 1 29 ARG HB3 1 29 ARG QD . . 3.500 2.814 2.392 3.051 . 0 0 "[ . 1 . 2]" 1
733 1 29 ARG HB3 1 30 ASP H . . 4.590 4.555 4.529 4.575 . 0 0 "[ . 1 . 2]" 1
734 1 29 ARG QD 1 30 ASP H . . 4.830 4.788 4.659 4.845 0.015 15 0 "[ . 1 . 2]" 1
735 1 29 ARG QG 1 30 ASP H . . 4.640 4.662 4.620 4.680 0.040 17 0 "[ . 1 . 2]" 1
736 1 30 ASP H 1 30 ASP HB2 . . 2.950 2.508 2.452 2.576 . 0 0 "[ . 1 . 2]" 1
737 1 30 ASP H 1 30 ASP HB3 . . 3.810 3.691 3.641 3.735 . 0 0 "[ . 1 . 2]" 1
738 1 30 ASP HA 1 31 VAL H . . 2.700 2.293 2.218 2.385 . 0 0 "[ . 1 . 2]" 1
739 1 30 ASP HA 1 31 VAL HB . . 4.770 4.524 4.292 4.730 . 0 0 "[ . 1 . 2]" 1
740 1 30 ASP HA 1 31 VAL QG . . 4.400 3.587 3.214 3.772 . 0 0 "[ . 1 . 2]" 1
741 1 30 ASP HA 1 32 LEU MD2 . . 5.500 5.191 5.100 5.283 . 0 0 "[ . 1 . 2]" 1
742 1 30 ASP HB2 1 31 VAL H . . 4.100 3.939 3.741 4.096 . 0 0 "[ . 1 . 2]" 1
743 1 30 ASP HB2 1 32 LEU MD1 . . 4.250 4.139 3.952 4.273 0.023 8 0 "[ . 1 . 2]" 1
744 1 30 ASP HB2 1 32 LEU MD2 . . 3.800 3.840 3.801 3.880 0.080 2 0 "[ . 1 . 2]" 1
745 1 30 ASP HB2 1 32 LEU HG . . 4.770 4.157 4.028 4.276 . 0 0 "[ . 1 . 2]" 1
746 1 30 ASP HB3 1 31 VAL H . . 3.460 2.701 2.465 2.932 . 0 0 "[ . 1 . 2]" 1
747 1 30 ASP HB3 1 32 LEU MD2 . . 3.700 3.161 3.090 3.255 . 0 0 "[ . 1 . 2]" 1
748 1 31 VAL H 1 31 VAL HB . . 3.110 2.887 2.565 3.163 0.053 11 0 "[ . 1 . 2]" 1
749 1 31 VAL H 1 31 VAL MG1 . . 3.980 2.959 2.096 3.948 . 0 0 "[ . 1 . 2]" 1
750 1 31 VAL H 1 31 VAL QG . . 3.290 2.403 2.088 2.805 . 0 0 "[ . 1 . 2]" 1
751 1 31 VAL H 1 31 VAL MG2 . . 3.980 3.397 2.654 4.001 0.021 11 0 "[ . 1 . 2]" 1
752 1 31 VAL H 1 32 LEU H . . 4.850 4.465 4.400 4.517 . 0 0 "[ . 1 . 2]" 1
753 1 31 VAL H 1 47 PRO HG3 . . 5.500 4.982 4.345 5.388 . 0 0 "[ . 1 . 2]" 1
754 1 31 VAL HA 1 31 VAL MG1 . . 3.420 2.873 2.334 3.275 . 0 0 "[ . 1 . 2]" 1
755 1 31 VAL HA 1 31 VAL MG2 . . 3.420 2.383 2.317 2.450 . 0 0 "[ . 1 . 2]" 1
756 1 31 VAL HA 1 32 LEU H . . 2.930 2.166 2.134 2.193 . 0 0 "[ . 1 . 2]" 1
757 1 31 VAL HA 1 32 LEU HB2 . . 4.860 4.534 4.402 4.687 . 0 0 "[ . 1 . 2]" 1
758 1 31 VAL HA 1 32 LEU HG . . 4.490 3.397 3.268 3.594 . 0 0 "[ . 1 . 2]" 1
759 1 31 VAL HB 1 32 LEU H . . 4.550 4.091 4.048 4.151 . 0 0 "[ . 1 . 2]" 1
760 1 31 VAL HB 1 62 TYR QD . . 5.040 4.551 3.261 5.088 0.048 3 0 "[ . 1 . 2]" 1
761 1 31 VAL HB 1 62 TYR QE . . 5.390 4.523 2.639 5.340 . 0 0 "[ . 1 . 2]" 1
762 1 31 VAL QG 1 32 LEU H . . 3.420 2.473 2.405 2.604 . 0 0 "[ . 1 . 2]" 1
763 1 31 VAL QG 1 32 LEU HA . . 4.730 3.711 3.568 3.828 . 0 0 "[ . 1 . 2]" 1
764 1 31 VAL QG 1 32 LEU HB3 . . 5.440 5.154 5.050 5.286 . 0 0 "[ . 1 . 2]" 1
765 1 31 VAL QG 1 62 TYR HB2 . . 4.610 3.323 3.051 3.642 . 0 0 "[ . 1 . 2]" 1
766 1 31 VAL QG 1 62 TYR HB3 . . 4.590 3.521 2.975 4.279 . 0 0 "[ . 1 . 2]" 1
767 1 31 VAL QG 1 62 TYR QD . . 3.730 2.736 2.343 3.335 . 0 0 "[ . 1 . 2]" 1
768 1 31 VAL QG 1 62 TYR QE . . 3.920 3.082 2.048 3.696 . 0 0 "[ . 1 . 2]" 1
769 1 31 VAL MG1 1 32 LEU H . . 4.390 3.303 2.476 4.008 . 0 0 "[ . 1 . 2]" 1
770 1 31 VAL MG1 1 62 TYR QD . . 4.770 3.731 2.605 4.786 0.016 11 0 "[ . 1 . 2]" 1
771 1 31 VAL MG1 1 62 TYR QE . . 4.490 4.010 3.471 4.400 . 0 0 "[ . 1 . 2]" 1
772 1 31 VAL MG2 1 32 LEU H . . 4.390 3.151 2.427 4.084 . 0 0 "[ . 1 . 2]" 1
773 1 31 VAL MG2 1 62 TYR QD . . 4.770 2.902 2.512 3.410 . 0 0 "[ . 1 . 2]" 1
774 1 31 VAL MG2 1 62 TYR QE . . 4.490 3.258 2.062 4.004 . 0 0 "[ . 1 . 2]" 1
775 1 32 LEU H 1 32 LEU HB2 . . 4.160 2.753 2.669 2.834 . 0 0 "[ . 1 . 2]" 1
776 1 32 LEU H 1 32 LEU HB3 . . 4.010 3.837 3.799 3.870 . 0 0 "[ . 1 . 2]" 1
777 1 32 LEU H 1 32 LEU MD1 . . 3.990 3.916 3.830 3.998 0.008 17 0 "[ . 1 . 2]" 1
778 1 32 LEU H 1 32 LEU MD2 . . 4.330 3.921 3.818 4.004 . 0 0 "[ . 1 . 2]" 1
779 1 32 LEU H 1 32 LEU HG . . 4.140 2.871 2.826 2.920 . 0 0 "[ . 1 . 2]" 1
780 1 32 LEU H 1 33 GLU H . . 4.850 4.469 4.451 4.492 . 0 0 "[ . 1 . 2]" 1
781 1 32 LEU HA 1 32 LEU MD2 . . 3.070 2.300 2.262 2.332 . 0 0 "[ . 1 . 2]" 1
782 1 32 LEU HA 1 32 LEU HG . . 4.060 3.196 3.128 3.259 . 0 0 "[ . 1 . 2]" 1
783 1 32 LEU HA 1 33 GLU H . . 2.960 2.223 2.193 2.258 . 0 0 "[ . 1 . 2]" 1
784 1 32 LEU HA 1 33 GLU HB2 . . 5.330 4.532 4.384 4.618 . 0 0 "[ . 1 . 2]" 1
785 1 32 LEU HA 1 33 GLU HB3 . . 5.020 4.517 4.376 4.597 . 0 0 "[ . 1 . 2]" 1
786 1 32 LEU HA 1 44 VAL HB . . 4.760 4.718 4.620 4.778 0.018 12 0 "[ . 1 . 2]" 1
787 1 32 LEU HA 1 44 VAL MG1 . . 5.460 5.512 5.457 5.533 0.073 9 0 "[ . 1 . 2]" 1
788 1 32 LEU HA 1 45 ARG H . . 5.410 4.625 4.417 4.719 . 0 0 "[ . 1 . 2]" 1
789 1 32 LEU HB2 1 32 LEU MD1 . . 3.120 2.250 2.229 2.274 . 0 0 "[ . 1 . 2]" 1
790 1 32 LEU HB2 1 33 GLU H . . 3.940 3.791 3.683 3.922 . 0 0 "[ . 1 . 2]" 1
791 1 32 LEU HB2 1 44 VAL HB . . 3.190 3.200 3.092 3.236 0.046 8 0 "[ . 1 . 2]" 1
792 1 32 LEU HB2 1 45 ARG H . . 4.500 4.546 4.521 4.586 0.086 17 0 "[ . 1 . 2]" 1
793 1 32 LEU HB2 1 59 LEU QD . . 5.100 3.519 3.407 3.662 . 0 0 "[ . 1 . 2]" 1
794 1 32 LEU HB3 1 32 LEU MD1 . . 2.910 2.488 2.449 2.515 . 0 0 "[ . 1 . 2]" 1
795 1 32 LEU HB3 1 32 LEU MD2 . . 3.030 2.426 2.345 2.473 . 0 0 "[ . 1 . 2]" 1
796 1 32 LEU HB3 1 33 GLU H . . 3.650 2.825 2.670 3.012 . 0 0 "[ . 1 . 2]" 1
797 1 32 LEU HB3 1 44 VAL HB . . 3.540 2.664 2.519 2.729 . 0 0 "[ . 1 . 2]" 1
798 1 32 LEU HB3 1 45 ARG H . . 3.720 3.233 3.175 3.291 . 0 0 "[ . 1 . 2]" 1
799 1 32 LEU HB3 1 59 LEU QD . . 5.500 4.558 4.423 4.706 . 0 0 "[ . 1 . 2]" 1
800 1 32 LEU MD1 1 33 GLU H . . 5.220 4.847 4.737 4.985 . 0 0 "[ . 1 . 2]" 1
801 1 32 LEU MD1 1 44 VAL HB . . 3.800 3.594 3.415 3.708 . 0 0 "[ . 1 . 2]" 1
802 1 32 LEU MD1 1 45 ARG H . . 4.630 4.602 4.472 4.651 0.021 4 0 "[ . 1 . 2]" 1
803 1 32 LEU MD1 1 46 ASP HA . . 3.880 3.898 3.803 3.937 0.057 10 0 "[ . 1 . 2]" 1
804 1 32 LEU MD1 1 46 ASP QB . . 5.340 4.734 4.384 4.944 . 0 0 "[ . 1 . 2]" 1
805 1 32 LEU MD1 1 47 PRO HD2 . . 5.500 5.172 4.997 5.395 . 0 0 "[ . 1 . 2]" 1
806 1 32 LEU MD1 1 47 PRO HD3 . . 5.060 4.658 4.487 4.752 . 0 0 "[ . 1 . 2]" 1
807 1 32 LEU MD2 1 33 GLU H . . 3.890 3.772 3.642 3.856 . 0 0 "[ . 1 . 2]" 1
808 1 32 LEU MD2 1 44 VAL HB . . 5.170 4.408 4.179 4.558 . 0 0 "[ . 1 . 2]" 1
809 1 32 LEU MD2 1 45 ARG H . . 5.010 4.414 4.283 4.568 . 0 0 "[ . 1 . 2]" 1
810 1 32 LEU MD2 1 46 ASP H . . 4.710 4.039 3.818 4.365 . 0 0 "[ . 1 . 2]" 1
811 1 32 LEU MD2 1 46 ASP HA . . 2.980 1.957 1.866 2.114 . 0 0 "[ . 1 . 2]" 1
812 1 32 LEU MD2 1 46 ASP HB2 . . 4.000 3.846 3.436 4.034 0.034 4 0 "[ . 1 . 2]" 1
813 1 32 LEU MD2 1 46 ASP QB . . 3.250 3.381 3.252 3.442 0.192 16 0 "[ . 1 . 2]" 1
814 1 32 LEU MD2 1 46 ASP HB3 . . 4.000 3.803 3.690 4.016 0.016 17 0 "[ . 1 . 2]" 1
815 1 32 LEU MD2 1 47 PRO HA . . 4.530 4.595 4.473 4.656 0.126 1 0 "[ . 1 . 2]" 1
816 1 32 LEU MD2 1 47 PRO HB3 . . 4.930 4.140 3.801 4.330 . 0 0 "[ . 1 . 2]" 1
817 1 32 LEU MD2 1 47 PRO HD2 . . 3.920 3.059 2.839 3.449 . 0 0 "[ . 1 . 2]" 1
818 1 32 LEU MD2 1 47 PRO HD3 . . 3.420 2.145 2.074 2.281 . 0 0 "[ . 1 . 2]" 1
819 1 32 LEU MD2 1 47 PRO HG2 . . 4.980 4.515 4.417 4.659 . 0 0 "[ . 1 . 2]" 1
820 1 32 LEU MD2 1 47 PRO HG3 . . 5.060 3.735 3.588 3.817 . 0 0 "[ . 1 . 2]" 1
821 1 33 GLU H 1 33 GLU HB2 . . 3.160 2.809 2.767 2.856 . 0 0 "[ . 1 . 2]" 1
822 1 33 GLU H 1 33 GLU HB3 . . 3.630 2.371 2.283 2.446 . 0 0 "[ . 1 . 2]" 1
823 1 33 GLU H 1 33 GLU HG2 . . 5.050 4.350 4.297 4.402 . 0 0 "[ . 1 . 2]" 1
824 1 33 GLU H 1 33 GLU HG3 . . 4.840 4.564 4.550 4.593 . 0 0 "[ . 1 . 2]" 1
825 1 33 GLU H 1 34 VAL H . . 4.930 4.387 4.308 4.434 . 0 0 "[ . 1 . 2]" 1
826 1 33 GLU H 1 44 VAL HA . . 5.130 5.058 4.962 5.148 0.018 16 0 "[ . 1 . 2]" 1
827 1 33 GLU H 1 44 VAL HB . . 4.120 3.865 3.749 4.024 . 0 0 "[ . 1 . 2]" 1
828 1 33 GLU H 1 45 ARG H . . 3.350 3.149 3.009 3.275 . 0 0 "[ . 1 . 2]" 1
829 1 33 GLU H 1 45 ARG HB2 . . 5.500 5.255 5.059 5.387 . 0 0 "[ . 1 . 2]" 1
830 1 33 GLU H 1 45 ARG HB3 . . 4.660 3.781 3.642 3.869 . 0 0 "[ . 1 . 2]" 1
831 1 33 GLU HA 1 33 GLU HG2 . . 3.680 3.272 3.143 3.355 . 0 0 "[ . 1 . 2]" 1
832 1 33 GLU HA 1 33 GLU HG3 . . 3.910 2.544 2.484 2.617 . 0 0 "[ . 1 . 2]" 1
833 1 33 GLU HA 1 34 VAL H . . 2.790 2.183 2.162 2.213 . 0 0 "[ . 1 . 2]" 1
834 1 33 GLU HA 1 34 VAL HB . . 5.070 4.754 4.637 4.880 . 0 0 "[ . 1 . 2]" 1
835 1 33 GLU HA 1 34 VAL QG . . 3.890 3.768 3.662 3.846 . 0 0 "[ . 1 . 2]" 1
836 1 33 GLU HB2 1 34 VAL H . . 4.960 4.423 4.375 4.488 . 0 0 "[ . 1 . 2]" 1
837 1 33 GLU HB2 1 45 ARG H . . 5.500 4.994 4.869 5.152 . 0 0 "[ . 1 . 2]" 1
838 1 33 GLU HB3 1 34 VAL H . . 4.630 4.478 4.409 4.539 . 0 0 "[ . 1 . 2]" 1
839 1 33 GLU HB3 1 45 ARG H . . 4.280 3.482 3.330 3.651 . 0 0 "[ . 1 . 2]" 1
840 1 33 GLU HB3 1 45 ARG QD . . 5.340 4.946 4.109 5.298 . 0 0 "[ . 1 . 2]" 1
841 1 33 GLU HG2 1 34 VAL H . . 4.010 3.773 3.535 4.036 0.026 11 0 "[ . 1 . 2]" 1
842 1 33 GLU HG2 1 34 VAL HA . . 5.500 4.409 4.294 4.623 . 0 0 "[ . 1 . 2]" 1
843 1 33 GLU HG2 1 35 LEU MD2 . . 4.530 2.334 2.204 2.481 . 0 0 "[ . 1 . 2]" 1
844 1 33 GLU HG2 1 45 ARG H . . 4.820 4.504 4.354 4.758 . 0 0 "[ . 1 . 2]" 1
845 1 33 GLU HG3 1 34 VAL H . . 3.830 3.475 3.323 3.740 . 0 0 "[ . 1 . 2]" 1
846 1 33 GLU HG3 1 35 LEU MD2 . . 4.040 3.598 3.447 3.723 . 0 0 "[ . 1 . 2]" 1
847 1 34 VAL H 1 34 VAL HB . . 3.150 2.636 2.519 2.797 . 0 0 "[ . 1 . 2]" 1
848 1 34 VAL H 1 34 VAL MG1 . . 4.070 3.305 2.070 3.839 . 0 0 "[ . 1 . 2]" 1
849 1 34 VAL H 1 34 VAL QG . . 3.030 2.159 2.017 2.319 . 0 0 "[ . 1 . 2]" 1
850 1 34 VAL H 1 34 VAL MG2 . . 4.070 2.705 2.025 3.877 . 0 0 "[ . 1 . 2]" 1
851 1 34 VAL H 1 35 LEU H . . 4.620 4.577 4.547 4.610 . 0 0 "[ . 1 . 2]" 1
852 1 34 VAL HA 1 34 VAL MG1 . . 3.240 2.638 2.297 3.280 0.040 14 0 "[ . 1 . 2]" 1
853 1 34 VAL HA 1 34 VAL QG . . 2.820 2.226 2.161 2.309 . 0 0 "[ . 1 . 2]" 1
854 1 34 VAL HA 1 34 VAL MG2 . . 3.240 2.527 2.333 2.634 . 0 0 "[ . 1 . 2]" 1
855 1 34 VAL HA 1 35 LEU H . . 2.560 2.170 2.144 2.215 . 0 0 "[ . 1 . 2]" 1
856 1 34 VAL HA 1 35 LEU HB2 . . 5.030 4.494 4.385 4.586 . 0 0 "[ . 1 . 2]" 1
857 1 34 VAL HA 1 35 LEU HB3 . . 5.500 5.513 5.494 5.535 0.035 4 0 "[ . 1 . 2]" 1
858 1 34 VAL HA 1 35 LEU MD1 . . 5.100 4.695 4.581 4.801 . 0 0 "[ . 1 . 2]" 1
859 1 34 VAL HA 1 35 LEU HG . . 4.520 3.321 3.266 3.378 . 0 0 "[ . 1 . 2]" 1
860 1 34 VAL HA 1 36 ASP H . . 3.880 3.816 3.771 3.883 0.003 11 0 "[ . 1 . 2]" 1
861 1 34 VAL HA 1 43 LYS HA . . 5.500 5.550 5.532 5.563 0.063 9 0 "[ . 1 . 2]" 1
862 1 34 VAL HA 1 43 LYS HG2 . . 5.500 5.507 5.387 5.549 0.049 1 0 "[ . 1 . 2]" 1
863 1 34 VAL HA 1 44 VAL H . . 4.500 4.570 4.525 4.601 0.101 5 0 "[ . 1 . 2]" 1
864 1 34 VAL HA 1 44 VAL HA . . 3.250 2.167 2.075 2.218 . 0 0 "[ . 1 . 2]" 1
865 1 34 VAL HA 1 44 VAL HB . . 4.130 3.078 2.990 3.214 . 0 0 "[ . 1 . 2]" 1
866 1 34 VAL HA 1 44 VAL MG1 . . 2.970 2.070 2.036 2.104 . 0 0 "[ . 1 . 2]" 1
867 1 34 VAL HA 1 44 VAL MG2 . . 4.250 4.308 4.279 4.351 0.101 11 0 "[ . 1 . 2]" 1
868 1 34 VAL HA 1 45 ARG H . . 3.980 3.934 3.817 4.012 0.032 10 0 "[ . 1 . 2]" 1
869 1 34 VAL HA 1 54 VAL MG2 . . 5.500 5.361 5.247 5.492 . 0 0 "[ . 1 . 2]" 1
870 1 34 VAL HB 1 35 LEU H . . 4.370 3.807 3.638 3.875 . 0 0 "[ . 1 . 2]" 1
871 1 34 VAL HB 1 42 TRP HB2 . . 5.500 5.478 4.646 5.753 0.253 13 0 "[ . 1 . 2]" 1
872 1 34 VAL QG 1 35 LEU H . . 3.260 2.182 2.083 2.278 . 0 0 "[ . 1 . 2]" 1
873 1 34 VAL QG 1 36 ASP H . . 3.040 2.178 2.128 2.221 . 0 0 "[ . 1 . 2]" 1
874 1 34 VAL QG 1 36 ASP HA . . 4.130 3.686 3.495 3.785 . 0 0 "[ . 1 . 2]" 1
875 1 34 VAL QG 1 36 ASP QB . . 4.960 4.011 3.934 4.202 . 0 0 "[ . 1 . 2]" 1
876 1 34 VAL QG 1 37 ASP H . . 4.250 4.026 3.903 4.101 . 0 0 "[ . 1 . 2]" 1
877 1 34 VAL QG 1 37 ASP HA . . 3.960 3.544 3.472 3.655 . 0 0 "[ . 1 . 2]" 1
878 1 34 VAL QG 1 37 ASP HB2 . . 4.340 3.670 3.604 3.826 . 0 0 "[ . 1 . 2]" 1
879 1 34 VAL QG 1 37 ASP HB3 . . 3.250 2.296 2.192 2.428 . 0 0 "[ . 1 . 2]" 1
880 1 34 VAL QG 1 38 SER H . . 5.440 5.303 5.184 5.419 . 0 0 "[ . 1 . 2]" 1
881 1 34 VAL QG 1 42 TRP HA . . 4.810 3.817 3.738 3.913 . 0 0 "[ . 1 . 2]" 1
882 1 34 VAL QG 1 42 TRP HB2 . . 3.780 3.064 2.800 3.620 . 0 0 "[ . 1 . 2]" 1
883 1 34 VAL QG 1 42 TRP HB3 . . 3.700 2.119 2.056 2.320 . 0 0 "[ . 1 . 2]" 1
884 1 34 VAL QG 1 42 TRP HE1 . . 5.440 5.233 5.157 5.399 . 0 0 "[ . 1 . 2]" 1
885 1 34 VAL QG 1 42 TRP HE3 . . 3.190 1.970 1.874 2.184 . 0 0 "[ . 1 . 2]" 1
886 1 34 VAL QG 1 42 TRP HZ3 . . 3.300 2.708 2.469 2.949 . 0 0 "[ . 1 . 2]" 1
887 1 34 VAL QG 1 43 LYS H . . 4.180 3.273 3.084 3.370 . 0 0 "[ . 1 . 2]" 1
888 1 34 VAL QG 1 44 VAL H . . 4.510 4.510 4.385 4.571 0.061 14 0 "[ . 1 . 2]" 1
889 1 34 VAL QG 1 44 VAL HA . . 4.130 3.499 3.345 3.593 . 0 0 "[ . 1 . 2]" 1
890 1 34 VAL QG 1 44 VAL HB . . 5.380 3.666 3.356 4.328 . 0 0 "[ . 1 . 2]" 1
891 1 34 VAL QG 1 45 ARG H . . 5.440 4.818 4.621 5.205 . 0 0 "[ . 1 . 2]" 1
892 1 34 VAL MG1 1 35 LEU H . . 4.280 2.676 2.162 3.768 . 0 0 "[ . 1 . 2]" 1
893 1 34 VAL MG1 1 42 TRP HB3 . . 5.190 2.830 2.072 4.645 . 0 0 "[ . 1 . 2]" 1
894 1 34 VAL MG1 1 42 TRP HE3 . . 3.650 2.526 2.138 3.264 . 0 0 "[ . 1 . 2]" 1
895 1 34 VAL MG1 1 42 TRP HZ3 . . 4.110 3.436 2.859 3.710 . 0 0 "[ . 1 . 2]" 1
896 1 34 VAL MG1 1 44 VAL HA . . 5.130 4.149 3.570 5.036 . 0 0 "[ . 1 . 2]" 1
897 1 34 VAL MG2 1 35 LEU H . . 4.280 3.413 2.094 4.060 . 0 0 "[ . 1 . 2]" 1
898 1 34 VAL MG2 1 42 TRP HB3 . . 5.190 3.002 2.187 3.808 . 0 0 "[ . 1 . 2]" 1
899 1 34 VAL MG2 1 42 TRP HE3 . . 3.650 2.083 1.994 2.226 . 0 0 "[ . 1 . 2]" 1
900 1 34 VAL MG2 1 42 TRP HZ3 . . 4.110 2.966 2.530 3.594 . 0 0 "[ . 1 . 2]" 1
901 1 34 VAL MG2 1 44 VAL HA . . 5.130 3.931 3.599 4.098 . 0 0 "[ . 1 . 2]" 1
902 1 35 LEU H 1 35 LEU HB2 . . 3.230 2.650 2.590 2.733 . 0 0 "[ . 1 . 2]" 1
903 1 35 LEU H 1 35 LEU HB3 . . 3.820 3.739 3.710 3.774 . 0 0 "[ . 1 . 2]" 1
904 1 35 LEU H 1 35 LEU MD1 . . 3.980 3.905 3.851 3.970 . 0 0 "[ . 1 . 2]" 1
905 1 35 LEU H 1 35 LEU HG . . 3.300 2.717 2.573 2.872 . 0 0 "[ . 1 . 2]" 1
906 1 35 LEU H 1 36 ASP H . . 2.710 1.927 1.874 1.993 . 0 0 "[ . 1 . 2]" 1
907 1 35 LEU H 1 36 ASP HA . . 4.790 4.664 4.553 4.753 . 0 0 "[ . 1 . 2]" 1
908 1 35 LEU H 1 36 ASP QB . . 4.450 4.279 4.196 4.346 . 0 0 "[ . 1 . 2]" 1
909 1 35 LEU H 1 43 LYS H . . 3.930 3.959 3.937 3.975 0.045 5 0 "[ . 1 . 2]" 1
910 1 35 LEU H 1 43 LYS HB3 . . 4.630 3.556 3.491 3.604 . 0 0 "[ . 1 . 2]" 1
911 1 35 LEU H 1 43 LYS HD3 . . 5.400 5.353 5.159 5.440 0.040 19 0 "[ . 1 . 2]" 1
912 1 35 LEU H 1 43 LYS HG2 . . 4.480 4.328 4.095 4.483 0.003 7 0 "[ . 1 . 2]" 1
913 1 35 LEU H 1 44 VAL HA . . 3.080 2.994 2.952 3.043 . 0 0 "[ . 1 . 2]" 1
914 1 35 LEU H 1 44 VAL HB . . 5.080 4.877 4.758 5.022 . 0 0 "[ . 1 . 2]" 1
915 1 35 LEU H 1 44 VAL MG1 . . 3.570 3.387 3.313 3.520 . 0 0 "[ . 1 . 2]" 1
916 1 35 LEU HA 1 35 LEU MD1 . . 4.120 3.963 3.936 3.999 . 0 0 "[ . 1 . 2]" 1
917 1 35 LEU HA 1 35 LEU MD2 . . 2.760 2.356 2.274 2.450 . 0 0 "[ . 1 . 2]" 1
918 1 35 LEU HA 1 35 LEU HG . . 3.950 3.339 3.215 3.426 . 0 0 "[ . 1 . 2]" 1
919 1 35 LEU HA 1 36 ASP QB . . 5.120 4.906 4.672 5.207 0.087 3 0 "[ . 1 . 2]" 1
920 1 35 LEU HA 1 44 VAL HA . . 5.220 5.269 5.218 5.322 0.102 8 0 "[ . 1 . 2]" 1
921 1 35 LEU HB2 1 35 LEU MD1 . . 3.060 2.282 2.219 2.401 . 0 0 "[ . 1 . 2]" 1
922 1 35 LEU HB2 1 36 ASP H . . 3.160 3.006 2.892 3.098 . 0 0 "[ . 1 . 2]" 1
923 1 35 LEU HB2 1 36 ASP QB . . 4.070 3.684 3.439 3.890 . 0 0 "[ . 1 . 2]" 1
924 1 35 LEU HB2 1 43 LYS H . . 4.820 4.559 4.478 4.708 . 0 0 "[ . 1 . 2]" 1
925 1 35 LEU HB2 1 43 LYS HB3 . . 3.630 2.540 2.425 2.707 . 0 0 "[ . 1 . 2]" 1
926 1 35 LEU HB2 1 44 VAL HA . . 4.740 4.125 3.919 4.233 . 0 0 "[ . 1 . 2]" 1
927 1 35 LEU HB3 1 35 LEU MD1 . . 2.930 2.402 2.325 2.473 . 0 0 "[ . 1 . 2]" 1
928 1 35 LEU HB3 1 36 ASP H . . 4.260 4.096 3.979 4.181 . 0 0 "[ . 1 . 2]" 1
929 1 35 LEU HB3 1 44 VAL HA . . 5.500 5.365 5.272 5.430 . 0 0 "[ . 1 . 2]" 1
930 1 35 LEU MD1 1 43 LYS H . . 5.500 5.548 5.528 5.578 0.078 8 0 "[ . 1 . 2]" 1
931 1 35 LEU MD1 1 43 LYS HA . . 5.500 4.641 4.558 4.758 . 0 0 "[ . 1 . 2]" 1
932 1 35 LEU MD1 1 43 LYS HD2 . . 4.290 4.272 4.097 4.350 0.060 15 0 "[ . 1 . 2]" 1
933 1 35 LEU MD1 1 43 LYS HD3 . . 3.350 3.115 2.832 3.304 . 0 0 "[ . 1 . 2]" 1
934 1 35 LEU MD1 1 43 LYS QE . . 3.830 2.477 2.170 3.257 . 0 0 "[ . 1 . 2]" 1
935 1 35 LEU MD1 1 44 VAL HA . . 3.910 3.553 3.383 3.647 . 0 0 "[ . 1 . 2]" 1
936 1 35 LEU MD1 1 45 ARG H . . 4.560 4.222 3.956 4.334 . 0 0 "[ . 1 . 2]" 1
937 1 35 LEU MD1 1 45 ARG HB2 . . 3.610 2.665 2.205 2.829 . 0 0 "[ . 1 . 2]" 1
938 1 35 LEU MD1 1 45 ARG HB3 . . 4.240 3.866 3.440 4.180 . 0 0 "[ . 1 . 2]" 1
939 1 35 LEU MD1 1 45 ARG QD . . 4.100 3.473 3.251 3.833 . 0 0 "[ . 1 . 2]" 1
940 1 35 LEU MD1 1 51 GLU HA . . 4.480 4.100 3.731 4.325 . 0 0 "[ . 1 . 2]" 1
941 1 35 LEU MD1 1 51 GLU HG2 . . 3.410 2.369 2.296 2.488 . 0 0 "[ . 1 . 2]" 1
942 1 35 LEU MD1 1 51 GLU HG3 . . 3.950 3.824 3.701 3.948 . 0 0 "[ . 1 . 2]" 1
943 1 35 LEU MD2 1 44 VAL HA . . 4.650 4.096 3.904 4.358 . 0 0 "[ . 1 . 2]" 1
944 1 35 LEU MD2 1 45 ARG QD . . 3.980 3.969 3.827 4.015 0.035 3 0 "[ . 1 . 2]" 1
945 1 35 LEU HG 1 36 ASP H . . 4.930 4.315 4.214 4.468 . 0 0 "[ . 1 . 2]" 1
946 1 35 LEU HG 1 44 VAL H . . 4.980 4.834 4.602 5.036 0.056 11 0 "[ . 1 . 2]" 1
947 1 35 LEU HG 1 44 VAL HA . . 3.560 2.640 2.531 2.792 . 0 0 "[ . 1 . 2]" 1
948 1 35 LEU HG 1 45 ARG H . . 5.030 3.950 3.851 4.058 . 0 0 "[ . 1 . 2]" 1
949 1 36 ASP H 1 36 ASP QB . . 3.070 2.780 2.701 2.871 . 0 0 "[ . 1 . 2]" 1
950 1 36 ASP H 1 37 ASP H . . 4.430 4.261 4.208 4.307 . 0 0 "[ . 1 . 2]" 1
951 1 36 ASP H 1 37 ASP HA . . 5.500 4.815 4.705 4.883 . 0 0 "[ . 1 . 2]" 1
952 1 36 ASP H 1 42 TRP HA . . 5.000 4.550 4.457 4.685 . 0 0 "[ . 1 . 2]" 1
953 1 36 ASP H 1 42 TRP HB3 . . 4.600 3.820 3.653 4.196 . 0 0 "[ . 1 . 2]" 1
954 1 36 ASP H 1 42 TRP HE3 . . 5.500 5.603 5.568 5.629 0.129 5 0 "[ . 1 . 2]" 1
955 1 36 ASP H 1 43 LYS H . . 3.220 2.948 2.893 2.967 . 0 0 "[ . 1 . 2]" 1
956 1 36 ASP H 1 43 LYS HA . . 4.890 4.918 4.889 4.949 0.059 19 0 "[ . 1 . 2]" 1
957 1 36 ASP H 1 43 LYS HB3 . . 3.200 2.875 2.761 2.958 . 0 0 "[ . 1 . 2]" 1
958 1 36 ASP H 1 43 LYS HG2 . . 4.670 4.680 4.541 4.726 0.056 5 0 "[ . 1 . 2]" 1
959 1 36 ASP H 1 44 VAL HA . . 4.600 4.631 4.569 4.683 0.083 10 0 "[ . 1 . 2]" 1
960 1 36 ASP H 1 44 VAL MG1 . . 4.400 4.284 4.205 4.447 0.047 11 0 "[ . 1 . 2]" 1
961 1 36 ASP HA 1 37 ASP H . . 2.530 2.193 2.157 2.225 . 0 0 "[ . 1 . 2]" 1
962 1 36 ASP HA 1 37 ASP HB2 . . 5.500 5.527 5.454 5.567 0.067 4 0 "[ . 1 . 2]" 1
963 1 36 ASP HA 1 37 ASP HB3 . . 5.420 4.551 4.373 4.694 . 0 0 "[ . 1 . 2]" 1
964 1 36 ASP HA 1 43 LYS H . . 5.000 4.734 4.638 4.814 . 0 0 "[ . 1 . 2]" 1
965 1 36 ASP QB 1 37 ASP H . . 3.790 3.444 2.977 3.742 . 0 0 "[ . 1 . 2]" 1
966 1 36 ASP QB 1 38 SER H . . 4.650 4.021 3.343 4.436 . 0 0 "[ . 1 . 2]" 1
967 1 36 ASP QB 1 42 TRP HA . . 4.720 3.977 3.783 4.391 . 0 0 "[ . 1 . 2]" 1
968 1 36 ASP QB 1 43 LYS H . . 3.220 2.679 2.458 3.061 . 0 0 "[ . 1 . 2]" 1
969 1 36 ASP QB 1 43 LYS HA . . 4.820 4.597 4.425 4.842 0.022 11 0 "[ . 1 . 2]" 1
970 1 36 ASP QB 1 43 LYS HB2 . . 3.230 2.802 2.599 2.991 . 0 0 "[ . 1 . 2]" 1
971 1 36 ASP QB 1 43 LYS HB3 . . 3.180 2.308 2.218 2.496 . 0 0 "[ . 1 . 2]" 1
972 1 36 ASP QB 1 53 TYR QE . . 4.130 3.731 3.587 4.018 . 0 0 "[ . 1 . 2]" 1
973 1 37 ASP H 1 37 ASP HB2 . . 3.940 3.842 3.812 3.881 . 0 0 "[ . 1 . 2]" 1
974 1 37 ASP H 1 37 ASP HB3 . . 3.770 3.462 3.381 3.525 . 0 0 "[ . 1 . 2]" 1
975 1 37 ASP H 1 38 SER HA . . 4.920 4.596 4.368 4.833 . 0 0 "[ . 1 . 2]" 1
976 1 37 ASP H 1 38 SER QB . . 4.190 3.696 3.379 4.148 . 0 0 "[ . 1 . 2]" 1
977 1 37 ASP H 1 39 ARG H . . 5.200 4.891 4.608 5.132 . 0 0 "[ . 1 . 2]" 1
978 1 37 ASP HA 1 38 SER H . . 3.470 2.723 2.530 3.026 . 0 0 "[ . 1 . 2]" 1
979 1 37 ASP HA 1 38 SER HA . . 4.890 4.574 4.462 4.740 . 0 0 "[ . 1 . 2]" 1
980 1 37 ASP HA 1 38 SER QB . . 4.890 4.765 4.546 4.956 0.066 17 0 "[ . 1 . 2]" 1
981 1 37 ASP HA 1 39 ARG H . . 3.900 3.392 3.324 3.465 . 0 0 "[ . 1 . 2]" 1
982 1 37 ASP HA 1 42 TRP HA . . 4.000 3.432 3.072 3.644 . 0 0 "[ . 1 . 2]" 1
983 1 37 ASP HA 1 42 TRP HD1 . . 4.080 3.037 2.918 3.203 . 0 0 "[ . 1 . 2]" 1
984 1 37 ASP HA 1 42 TRP HE1 . . 3.900 3.306 3.215 3.404 . 0 0 "[ . 1 . 2]" 1
985 1 37 ASP HA 1 42 TRP HZ2 . . 5.500 4.614 4.469 4.803 . 0 0 "[ . 1 . 2]" 1
986 1 37 ASP HA 1 43 LYS H . . 4.810 4.494 4.148 4.692 . 0 0 "[ . 1 . 2]" 1
987 1 37 ASP HB2 1 38 SER H . . 4.790 4.480 4.397 4.522 . 0 0 "[ . 1 . 2]" 1
988 1 37 ASP HB2 1 42 TRP HD1 . . 5.500 4.930 4.639 5.128 . 0 0 "[ . 1 . 2]" 1
989 1 37 ASP HB2 1 42 TRP HE1 . . 4.170 3.861 3.526 4.093 . 0 0 "[ . 1 . 2]" 1
990 1 37 ASP HB2 1 42 TRP HE3 . . 5.210 4.536 4.361 4.702 . 0 0 "[ . 1 . 2]" 1
991 1 37 ASP HB2 1 42 TRP HH2 . . 4.790 3.949 3.624 4.146 . 0 0 "[ . 1 . 2]" 1
992 1 37 ASP HB2 1 42 TRP HZ2 . . 4.160 3.313 3.194 3.425 . 0 0 "[ . 1 . 2]" 1
993 1 37 ASP HB2 1 42 TRP HZ3 . . 5.500 4.493 4.152 4.736 . 0 0 "[ . 1 . 2]" 1
994 1 37 ASP HB3 1 38 SER H . . 4.890 4.664 4.598 4.722 . 0 0 "[ . 1 . 2]" 1
995 1 37 ASP HB3 1 42 TRP HA . . 5.270 4.852 4.703 4.938 . 0 0 "[ . 1 . 2]" 1
996 1 37 ASP HB3 1 42 TRP HB2 . . 5.450 4.926 4.674 5.183 . 0 0 "[ . 1 . 2]" 1
997 1 37 ASP HB3 1 42 TRP HB3 . . 4.460 3.687 3.467 3.863 . 0 0 "[ . 1 . 2]" 1
998 1 37 ASP HB3 1 42 TRP HE1 . . 4.510 4.572 4.531 4.644 0.134 14 0 "[ . 1 . 2]" 1
999 1 37 ASP HB3 1 42 TRP HE3 . . 5.100 3.488 3.316 3.656 . 0 0 "[ . 1 . 2]" 1
1000 1 37 ASP HB3 1 42 TRP HH2 . . 4.710 4.568 4.383 4.667 . 0 0 "[ . 1 . 2]" 1
1001 1 37 ASP HB3 1 42 TRP HZ2 . . 4.410 4.438 4.386 4.482 0.072 3 0 "[ . 1 . 2]" 1
1002 1 37 ASP HB3 1 42 TRP HZ3 . . 4.550 4.110 3.854 4.291 . 0 0 "[ . 1 . 2]" 1
1003 1 38 SER H 1 38 SER QB . . 2.920 2.462 2.270 2.809 . 0 0 "[ . 1 . 2]" 1
1004 1 38 SER H 1 39 ARG H . . 3.030 2.350 2.198 2.489 . 0 0 "[ . 1 . 2]" 1
1005 1 38 SER H 1 39 ARG HB2 . . 5.500 4.104 4.026 4.224 . 0 0 "[ . 1 . 2]" 1
1006 1 38 SER H 1 39 ARG QB . . 4.620 4.005 3.935 4.112 . 0 0 "[ . 1 . 2]" 1
1007 1 38 SER H 1 39 ARG HB3 . . 5.500 5.582 5.509 5.668 0.168 16 0 "[ . 1 . 2]" 1
1008 1 38 SER H 1 39 ARG QG . . 4.420 3.866 3.192 4.396 . 0 0 "[ . 1 . 2]" 1
1009 1 38 SER HA 1 39 ARG HG2 . . 5.320 5.288 5.003 5.415 0.095 17 0 "[ . 1 . 2]" 1
1010 1 38 SER HA 1 39 ARG QG . . 4.630 4.445 4.226 4.612 . 0 0 "[ . 1 . 2]" 1
1011 1 38 SER HA 1 39 ARG HG3 . . 5.320 4.787 4.436 5.065 . 0 0 "[ . 1 . 2]" 1
1012 1 38 SER QB 1 39 ARG H . . 3.680 3.579 3.278 3.792 0.112 8 0 "[ . 1 . 2]" 1
1013 1 38 SER QB 1 39 ARG HG2 . . 4.530 4.089 3.583 4.404 . 0 0 "[ . 1 . 2]" 1
1014 1 38 SER QB 1 39 ARG QG . . 3.760 2.982 2.566 3.377 . 0 0 "[ . 1 . 2]" 1
1015 1 38 SER QB 1 39 ARG HG3 . . 4.530 3.069 2.625 3.557 . 0 0 "[ . 1 . 2]" 1
1016 1 39 ARG H 1 39 ARG QB . . 3.100 2.749 2.603 2.828 . 0 0 "[ . 1 . 2]" 1
1017 1 39 ARG H 1 39 ARG HG2 . . 4.300 4.113 3.928 4.226 . 0 0 "[ . 1 . 2]" 1
1018 1 39 ARG H 1 39 ARG QG . . 3.550 3.288 2.932 3.475 . 0 0 "[ . 1 . 2]" 1
1019 1 39 ARG H 1 39 ARG HG3 . . 4.300 3.466 3.025 3.719 . 0 0 "[ . 1 . 2]" 1
1020 1 39 ARG H 1 40 LYS HA . . 5.320 5.280 5.222 5.353 0.033 20 0 "[ . 1 . 2]" 1
1021 1 39 ARG H 1 42 TRP HA . . 4.840 4.644 4.503 4.781 . 0 0 "[ . 1 . 2]" 1
1022 1 39 ARG H 1 42 TRP HD1 . . 3.980 3.289 3.121 3.653 . 0 0 "[ . 1 . 2]" 1
1023 1 39 ARG H 1 42 TRP HE1 . . 4.230 3.385 3.036 3.933 . 0 0 "[ . 1 . 2]" 1
1024 1 39 ARG HA 1 39 ARG HG2 . . 3.700 2.468 2.253 2.673 . 0 0 "[ . 1 . 2]" 1
1025 1 39 ARG HA 1 39 ARG QG . . 3.190 2.401 2.212 2.572 . 0 0 "[ . 1 . 2]" 1
1026 1 39 ARG HA 1 39 ARG HG3 . . 3.700 3.308 3.106 3.499 . 0 0 "[ . 1 . 2]" 1
1027 1 39 ARG HA 1 40 LYS HB2 . . 5.180 4.963 4.853 5.087 . 0 0 "[ . 1 . 2]" 1
1028 1 39 ARG HA 1 40 LYS QD . . 5.500 4.964 4.614 5.300 . 0 0 "[ . 1 . 2]" 1
1029 1 39 ARG HA 1 40 LYS HG2 . . 4.920 3.986 3.886 4.088 . 0 0 "[ . 1 . 2]" 1
1030 1 39 ARG HA 1 42 TRP HE1 . . 5.500 5.162 4.906 5.394 . 0 0 "[ . 1 . 2]" 1
1031 1 39 ARG QB 1 39 ARG QD . . 3.060 2.117 2.050 2.273 . 0 0 "[ . 1 . 2]" 1
1032 1 39 ARG QB 1 40 LYS HA . . 4.610 4.409 4.350 4.501 . 0 0 "[ . 1 . 2]" 1
1033 1 39 ARG HB2 1 39 ARG HD2 . . 3.920 2.679 2.456 3.777 . 0 0 "[ . 1 . 2]" 1
1034 1 39 ARG HB2 1 39 ARG HD3 . . 3.920 3.312 2.710 3.639 . 0 0 "[ . 1 . 2]" 1
1035 1 39 ARG HB2 1 41 TRP H . . 4.400 2.989 2.649 3.557 . 0 0 "[ . 1 . 2]" 1
1036 1 39 ARG HB3 1 39 ARG HD2 . . 3.920 2.766 2.413 3.598 . 0 0 "[ . 1 . 2]" 1
1037 1 39 ARG HB3 1 39 ARG HD3 . . 3.920 2.472 2.246 3.092 . 0 0 "[ . 1 . 2]" 1
1038 1 39 ARG HB3 1 41 TRP H . . 4.400 2.920 2.619 3.267 . 0 0 "[ . 1 . 2]" 1
1039 1 39 ARG QD 2 7 ASP HA . . 3.770 3.438 2.723 3.801 0.031 2 0 "[ . 1 . 2]" 1
1040 1 39 ARG HD2 2 7 ASP HA . . 4.420 4.238 2.872 4.503 0.083 13 0 "[ . 1 . 2]" 1
1041 1 39 ARG HD3 2 7 ASP HA . . 4.420 3.692 2.832 4.111 . 0 0 "[ . 1 . 2]" 1
1042 1 40 LYS HA 1 40 LYS QD . . 3.190 2.360 2.265 2.626 . 0 0 "[ . 1 . 2]" 1
1043 1 40 LYS HA 1 40 LYS QE . . 4.720 4.351 4.227 4.505 . 0 0 "[ . 1 . 2]" 1
1044 1 40 LYS HA 1 40 LYS HG2 . . 3.370 3.095 2.961 3.167 . 0 0 "[ . 1 . 2]" 1
1045 1 40 LYS HA 1 40 LYS HG3 . . 4.110 3.854 3.809 3.899 . 0 0 "[ . 1 . 2]" 1
1046 1 40 LYS HA 1 42 TRP HD1 . . 4.860 4.773 4.597 4.886 0.026 3 0 "[ . 1 . 2]" 1
1047 1 40 LYS HA 1 42 TRP HE1 . . 4.560 4.550 4.328 4.637 0.077 14 0 "[ . 1 . 2]" 1
1048 1 40 LYS HA 1 56 TYR H . . 4.790 4.212 4.071 4.438 . 0 0 "[ . 1 . 2]" 1
1049 1 40 LYS HA 1 56 TYR QD . . 3.580 3.226 3.089 3.387 . 0 0 "[ . 1 . 2]" 1
1050 1 40 LYS HA 1 56 TYR QE . . 4.280 3.786 3.550 4.041 . 0 0 "[ . 1 . 2]" 1
1051 1 40 LYS HB2 1 40 LYS QE . . 4.760 4.277 4.047 4.456 . 0 0 "[ . 1 . 2]" 1
1052 1 40 LYS HB2 1 41 TRP H . . 4.630 3.040 2.819 3.176 . 0 0 "[ . 1 . 2]" 1
1053 1 40 LYS HB2 1 41 TRP HD1 . . 3.810 2.332 2.218 2.476 . 0 0 "[ . 1 . 2]" 1
1054 1 40 LYS HB2 1 56 TYR QE . . 5.500 5.397 5.335 5.445 . 0 0 "[ . 1 . 2]" 1
1055 1 40 LYS HB3 1 40 LYS QE . . 4.810 3.879 3.608 3.943 . 0 0 "[ . 1 . 2]" 1
1056 1 40 LYS HB3 1 41 TRP H . . 5.170 3.937 3.770 4.017 . 0 0 "[ . 1 . 2]" 1
1057 1 40 LYS HB3 1 41 TRP HD1 . . 3.840 2.736 2.589 2.939 . 0 0 "[ . 1 . 2]" 1
1058 1 40 LYS HB3 1 41 TRP HE1 . . 4.390 3.921 3.740 4.225 . 0 0 "[ . 1 . 2]" 1
1059 1 40 LYS HB3 1 55 PRO HA . . 5.220 5.046 4.826 5.176 . 0 0 "[ . 1 . 2]" 1
1060 1 40 LYS HB3 1 56 TYR H . . 4.600 4.547 4.393 4.643 0.043 8 0 "[ . 1 . 2]" 1
1061 1 40 LYS HB3 1 56 TYR QD . . 3.780 3.600 3.369 3.770 . 0 0 "[ . 1 . 2]" 1
1062 1 40 LYS HB3 1 56 TYR QE . . 3.760 3.777 3.754 3.794 0.034 12 0 "[ . 1 . 2]" 1
1063 1 40 LYS QD 1 56 TYR QD . . 4.010 3.735 3.445 3.945 . 0 0 "[ . 1 . 2]" 1
1064 1 40 LYS QD 1 56 TYR QE . . 3.380 2.653 2.459 2.811 . 0 0 "[ . 1 . 2]" 1
1065 1 40 LYS QD 2 5 ASN HA . . 5.500 5.484 5.279 5.589 0.089 8 0 "[ . 1 . 2]" 1
1066 1 40 LYS QE 1 40 LYS HG2 . . 3.740 2.676 2.391 3.052 . 0 0 "[ . 1 . 2]" 1
1067 1 40 LYS QE 1 40 LYS HG3 . . 3.160 2.315 2.165 2.417 . 0 0 "[ . 1 . 2]" 1
1068 1 40 LYS QE 2 5 ASN HA . . 4.950 4.978 4.435 5.027 0.077 9 0 "[ . 1 . 2]" 1
1069 1 40 LYS HG2 1 41 TRP HD1 . . 4.970 4.847 4.745 5.015 0.045 6 0 "[ . 1 . 2]" 1
1070 1 40 LYS HG2 1 56 TYR QE . . 5.500 5.337 5.139 5.529 0.029 2 0 "[ . 1 . 2]" 1
1071 1 40 LYS HG3 1 41 TRP HD1 . . 4.370 4.326 4.191 4.455 0.085 11 0 "[ . 1 . 2]" 1
1072 1 40 LYS HG3 1 56 TYR QE . . 5.170 5.101 4.959 5.194 0.024 8 0 "[ . 1 . 2]" 1
1073 1 40 LYS HG3 2 5 ASN HA . . 5.100 4.749 4.543 5.044 . 0 0 "[ . 1 . 2]" 1
1074 1 41 TRP H 1 41 TRP HB2 . . 4.160 2.635 2.555 2.738 . 0 0 "[ . 1 . 2]" 1
1075 1 41 TRP H 1 41 TRP HD1 . . 4.240 3.100 2.792 3.318 . 0 0 "[ . 1 . 2]" 1
1076 1 41 TRP H 1 42 TRP H . . 4.730 4.325 4.209 4.470 . 0 0 "[ . 1 . 2]" 1
1077 1 41 TRP HA 1 41 TRP HD1 . . 4.300 3.613 3.421 3.721 . 0 0 "[ . 1 . 2]" 1
1078 1 41 TRP HA 1 42 TRP H . . 2.680 2.135 2.083 2.174 . 0 0 "[ . 1 . 2]" 1
1079 1 41 TRP HA 1 42 TRP HB2 . . 4.970 4.627 4.354 4.807 . 0 0 "[ . 1 . 2]" 1
1080 1 41 TRP HA 1 42 TRP HD1 . . 4.390 3.762 3.609 3.887 . 0 0 "[ . 1 . 2]" 1
1081 1 41 TRP HA 1 54 VAL H . . 4.390 4.189 4.119 4.251 . 0 0 "[ . 1 . 2]" 1
1082 1 41 TRP HA 1 54 VAL MG2 . . 4.660 4.592 4.518 4.674 0.014 1 0 "[ . 1 . 2]" 1
1083 1 41 TRP HA 1 55 PRO HA . . 3.290 2.682 2.507 2.785 . 0 0 "[ . 1 . 2]" 1
1084 1 41 TRP HA 1 55 PRO HB2 . . 5.500 5.310 5.120 5.444 . 0 0 "[ . 1 . 2]" 1
1085 1 41 TRP HA 1 55 PRO HB3 . . 5.160 4.893 4.727 4.994 . 0 0 "[ . 1 . 2]" 1
1086 1 41 TRP HA 1 56 TYR H . . 3.720 2.640 2.454 2.809 . 0 0 "[ . 1 . 2]" 1
1087 1 41 TRP HA 1 56 TYR HA . . 5.500 4.568 4.204 4.790 . 0 0 "[ . 1 . 2]" 1
1088 1 41 TRP HA 1 56 TYR HB3 . . 4.760 3.572 3.207 3.815 . 0 0 "[ . 1 . 2]" 1
1089 1 41 TRP HA 1 59 LEU QD . . 4.670 4.482 4.258 4.722 0.052 17 0 "[ . 1 . 2]" 1
1090 1 41 TRP HB2 1 41 TRP HE3 . . 4.120 3.802 3.710 3.927 . 0 0 "[ . 1 . 2]" 1
1091 1 41 TRP HB2 1 42 TRP H . . 4.570 4.263 4.159 4.374 . 0 0 "[ . 1 . 2]" 1
1092 1 41 TRP HB2 1 53 TYR HB2 . . 5.500 4.913 4.768 5.170 . 0 0 "[ . 1 . 2]" 1
1093 1 41 TRP HB2 1 53 TYR QD . . 4.570 3.869 3.528 4.439 . 0 0 "[ . 1 . 2]" 1
1094 1 41 TRP HB2 1 54 VAL H . . 5.110 4.949 4.793 5.155 0.045 14 0 "[ . 1 . 2]" 1
1095 1 41 TRP HB3 1 41 TRP HE3 . . 3.420 2.430 2.392 2.465 . 0 0 "[ . 1 . 2]" 1
1096 1 41 TRP HB3 1 42 TRP H . . 3.800 3.264 3.103 3.482 . 0 0 "[ . 1 . 2]" 1
1097 1 41 TRP HB3 1 53 TYR HB2 . . 4.600 3.992 3.828 4.227 . 0 0 "[ . 1 . 2]" 1
1098 1 41 TRP HB3 1 53 TYR QD . . 3.880 3.289 2.882 3.685 . 0 0 "[ . 1 . 2]" 1
1099 1 41 TRP HB3 1 54 VAL H . . 3.780 3.272 3.144 3.463 . 0 0 "[ . 1 . 2]" 1
1100 1 41 TRP HB3 1 56 TYR H . . 5.500 4.944 4.673 5.095 . 0 0 "[ . 1 . 2]" 1
1101 1 41 TRP HD1 1 55 PRO HA . . 4.680 4.115 3.461 4.386 . 0 0 "[ . 1 . 2]" 1
1102 1 41 TRP HD1 1 55 PRO HB3 . . 5.380 5.090 4.275 5.376 . 0 0 "[ . 1 . 2]" 1
1103 1 41 TRP HD1 2 4 PRO QG . . 3.450 3.198 2.650 3.536 0.086 2 0 "[ . 1 . 2]" 1
1104 1 41 TRP HD1 2 7 ASP HA . . 4.190 4.154 3.897 4.265 0.075 6 0 "[ . 1 . 2]" 1
1105 1 41 TRP HD1 2 7 ASP QB . . 4.140 2.961 2.359 3.948 . 0 0 "[ . 1 . 2]" 1
1106 1 41 TRP HE1 2 3 VAL MG1 . . 5.500 3.779 2.683 4.548 . 0 0 "[ . 1 . 2]" 1
1107 1 41 TRP HE1 2 3 VAL MG2 . . 5.500 5.068 4.205 5.470 . 0 0 "[ . 1 . 2]" 1
1108 1 41 TRP HE1 2 4 PRO QG . . 4.000 2.746 2.439 3.544 . 0 0 "[ . 1 . 2]" 1
1109 1 41 TRP HE3 1 42 TRP H . . 4.960 4.769 4.592 4.976 0.016 16 0 "[ . 1 . 2]" 1
1110 1 41 TRP HE3 1 53 TYR HA . . 4.510 3.946 3.829 4.011 . 0 0 "[ . 1 . 2]" 1
1111 1 41 TRP HE3 1 53 TYR HB2 . . 3.770 3.082 2.933 3.308 . 0 0 "[ . 1 . 2]" 1
1112 1 41 TRP HE3 1 53 TYR HB3 . . 3.590 2.243 2.184 2.280 . 0 0 "[ . 1 . 2]" 1
1113 1 41 TRP HE3 1 53 TYR QD . . 4.640 4.333 4.189 4.412 . 0 0 "[ . 1 . 2]" 1
1114 1 41 TRP HE3 1 54 VAL H . . 4.030 3.143 3.059 3.265 . 0 0 "[ . 1 . 2]" 1
1115 1 41 TRP HE3 1 54 VAL HA . . 3.850 2.841 2.751 2.941 . 0 0 "[ . 1 . 2]" 1
1116 1 41 TRP HE3 1 55 PRO HD2 . . 5.500 4.730 4.622 4.812 . 0 0 "[ . 1 . 2]" 1
1117 1 41 TRP HE3 1 55 PRO HD3 . . 4.330 3.635 3.513 3.695 . 0 0 "[ . 1 . 2]" 1
1118 1 41 TRP HH2 1 55 PRO HB3 . . 5.050 4.097 3.809 4.625 . 0 0 "[ . 1 . 2]" 1
1119 1 41 TRP HH2 1 55 PRO HD2 . . 4.990 4.838 4.750 4.995 0.005 11 0 "[ . 1 . 2]" 1
1120 1 41 TRP HH2 1 55 PRO HD3 . . 4.380 3.178 3.051 3.365 . 0 0 "[ . 1 . 2]" 1
1121 1 41 TRP HH2 2 3 VAL HB . . 5.500 5.322 4.050 5.618 0.118 2 0 "[ . 1 . 2]" 1
1122 1 41 TRP HH2 2 3 VAL MG1 . . 4.630 3.025 2.539 3.926 . 0 0 "[ . 1 . 2]" 1
1123 1 41 TRP HH2 2 3 VAL QG . . 3.990 2.598 2.504 2.719 . 0 0 "[ . 1 . 2]" 1
1124 1 41 TRP HH2 2 3 VAL MG2 . . 4.630 3.120 2.537 4.367 . 0 0 "[ . 1 . 2]" 1
1125 1 41 TRP HZ2 1 55 PRO HB2 . . 5.460 4.973 4.641 5.375 . 0 0 "[ . 1 . 2]" 1
1126 1 41 TRP HZ2 1 55 PRO HB3 . . 4.510 3.313 3.014 3.659 . 0 0 "[ . 1 . 2]" 1
1127 1 41 TRP HZ2 1 55 PRO HD3 . . 4.300 4.222 4.043 4.346 0.046 11 0 "[ . 1 . 2]" 1
1128 1 41 TRP HZ2 1 55 PRO HG3 . . 5.500 4.470 4.151 4.728 . 0 0 "[ . 1 . 2]" 1
1129 1 41 TRP HZ2 2 3 VAL HA . . 4.030 2.900 2.439 4.127 0.097 15 0 "[ . 1 . 2]" 1
1130 1 41 TRP HZ2 2 3 VAL HB . . 4.360 4.059 2.142 4.452 0.092 10 0 "[ . 1 . 2]" 1
1131 1 41 TRP HZ2 2 3 VAL MG1 . . 3.180 2.088 2.002 2.451 . 0 0 "[ . 1 . 2]" 1
1132 1 41 TRP HZ2 2 3 VAL QG . . 2.690 2.028 1.868 2.374 . 0 0 "[ . 1 . 2]" 1
1133 1 41 TRP HZ2 2 3 VAL MG2 . . 3.180 2.967 2.149 3.218 0.038 17 0 "[ . 1 . 2]" 1
1134 1 41 TRP HZ2 2 4 PRO HD2 . . 4.230 3.423 3.033 4.222 . 0 0 "[ . 1 . 2]" 1
1135 1 41 TRP HZ3 1 53 TYR HA . . 5.500 5.557 5.357 5.608 0.108 8 0 "[ . 1 . 2]" 1
1136 1 41 TRP HZ3 1 53 TYR HB3 . . 4.300 4.291 4.150 4.342 0.042 18 0 "[ . 1 . 2]" 1
1137 1 41 TRP HZ3 1 54 VAL H . . 4.960 4.787 4.657 4.865 . 0 0 "[ . 1 . 2]" 1
1138 1 41 TRP HZ3 1 54 VAL HA . . 3.830 2.744 2.603 2.872 . 0 0 "[ . 1 . 2]" 1
1139 1 41 TRP HZ3 1 54 VAL MG2 . . 5.500 5.439 5.318 5.531 0.031 2 0 "[ . 1 . 2]" 1
1140 1 41 TRP HZ3 1 55 PRO HD2 . . 4.290 4.155 4.052 4.290 . 0 0 "[ . 1 . 2]" 1
1141 1 41 TRP HZ3 1 55 PRO HD3 . . 3.670 2.820 2.647 3.088 . 0 0 "[ . 1 . 2]" 1
1142 1 42 TRP H 1 42 TRP HB2 . . 3.080 2.590 2.384 2.709 . 0 0 "[ . 1 . 2]" 1
1143 1 42 TRP H 1 42 TRP HB3 . . 3.730 3.691 3.608 3.742 0.012 11 0 "[ . 1 . 2]" 1
1144 1 42 TRP H 1 42 TRP HD1 . . 3.810 3.175 2.926 3.297 . 0 0 "[ . 1 . 2]" 1
1145 1 42 TRP H 1 42 TRP HE3 . . 5.500 5.354 5.205 5.517 0.017 1 0 "[ . 1 . 2]" 1
1146 1 42 TRP H 1 43 LYS H . . 4.690 4.577 4.553 4.615 . 0 0 "[ . 1 . 2]" 1
1147 1 42 TRP H 1 44 VAL MG1 . . 5.020 4.249 4.080 4.446 . 0 0 "[ . 1 . 2]" 1
1148 1 42 TRP H 1 53 TYR HA . . 5.100 4.667 4.522 4.849 . 0 0 "[ . 1 . 2]" 1
1149 1 42 TRP H 1 54 VAL H . . 3.460 3.204 3.061 3.371 . 0 0 "[ . 1 . 2]" 1
1150 1 42 TRP H 1 54 VAL MG2 . . 3.780 3.336 3.155 3.444 . 0 0 "[ . 1 . 2]" 1
1151 1 42 TRP H 1 55 PRO HA . . 4.270 4.033 3.858 4.156 . 0 0 "[ . 1 . 2]" 1
1152 1 42 TRP H 1 56 TYR H . . 4.140 3.722 3.594 3.854 . 0 0 "[ . 1 . 2]" 1
1153 1 42 TRP H 1 56 TYR HA . . 4.960 4.232 3.976 4.391 . 0 0 "[ . 1 . 2]" 1
1154 1 42 TRP H 1 56 TYR QD . . 5.500 5.524 5.467 5.565 0.065 2 0 "[ . 1 . 2]" 1
1155 1 42 TRP H 1 59 LEU QD . . 4.170 3.268 3.061 3.465 . 0 0 "[ . 1 . 2]" 1
1156 1 42 TRP HA 1 42 TRP HD1 . . 3.250 2.512 2.434 2.626 . 0 0 "[ . 1 . 2]" 1
1157 1 42 TRP HA 1 42 TRP HE1 . . 4.930 4.825 4.786 4.881 . 0 0 "[ . 1 . 2]" 1
1158 1 42 TRP HA 1 43 LYS H . . 2.770 2.202 2.172 2.255 . 0 0 "[ . 1 . 2]" 1
1159 1 42 TRP HA 1 43 LYS HA . . 5.060 4.424 4.362 4.482 . 0 0 "[ . 1 . 2]" 1
1160 1 42 TRP HA 1 43 LYS HB2 . . 4.670 4.452 4.355 4.517 . 0 0 "[ . 1 . 2]" 1
1161 1 42 TRP HA 1 43 LYS HB3 . . 4.790 4.716 4.621 4.793 0.003 7 0 "[ . 1 . 2]" 1
1162 1 42 TRP HA 1 44 VAL MG1 . . 5.010 4.441 4.346 4.545 . 0 0 "[ . 1 . 2]" 1
1163 1 42 TRP HA 1 53 TYR QD . . 4.620 3.798 3.589 4.144 . 0 0 "[ . 1 . 2]" 1
1164 1 42 TRP HA 1 59 LEU QD . . 5.500 4.648 4.546 4.839 . 0 0 "[ . 1 . 2]" 1
1165 1 42 TRP HB2 1 42 TRP HE3 . . 3.950 2.967 2.803 3.229 . 0 0 "[ . 1 . 2]" 1
1166 1 42 TRP HB2 1 43 LYS H . . 4.020 3.973 3.786 4.043 0.023 14 0 "[ . 1 . 2]" 1
1167 1 42 TRP HB2 1 44 VAL MG1 . . 3.600 2.781 2.660 2.990 . 0 0 "[ . 1 . 2]" 1
1168 1 42 TRP HB2 1 44 VAL MG2 . . 4.990 4.726 4.683 4.837 . 0 0 "[ . 1 . 2]" 1
1169 1 42 TRP HB2 1 54 VAL H . . 4.520 4.422 4.174 4.547 0.027 12 0 "[ . 1 . 2]" 1
1170 1 42 TRP HB2 1 54 VAL MG2 . . 3.680 3.236 3.002 3.391 . 0 0 "[ . 1 . 2]" 1
1171 1 42 TRP HB2 1 59 LEU QD . . 3.910 2.319 2.166 2.505 . 0 0 "[ . 1 . 2]" 1
1172 1 42 TRP HB3 1 42 TRP HE3 . . 3.860 2.871 2.705 2.969 . 0 0 "[ . 1 . 2]" 1
1173 1 42 TRP HB3 1 43 LYS H . . 3.520 2.857 2.663 2.929 . 0 0 "[ . 1 . 2]" 1
1174 1 42 TRP HB3 1 44 VAL MG1 . . 3.570 2.987 2.839 3.208 . 0 0 "[ . 1 . 2]" 1
1175 1 42 TRP HB3 1 44 VAL MG2 . . 5.300 5.251 5.037 5.363 0.063 11 0 "[ . 1 . 2]" 1
1176 1 42 TRP HB3 1 54 VAL H . . 5.500 5.397 5.171 5.513 0.013 12 0 "[ . 1 . 2]" 1
1177 1 42 TRP HB3 1 54 VAL MG2 . . 4.550 4.405 4.104 4.576 0.026 2 0 "[ . 1 . 2]" 1
1178 1 42 TRP HB3 1 59 LEU QD . . 4.160 3.464 3.189 3.698 . 0 0 "[ . 1 . 2]" 1
1179 1 42 TRP HE1 1 56 TYR HA . . 5.500 5.334 5.143 5.502 0.002 13 0 "[ . 1 . 2]" 1
1180 1 42 TRP HE1 1 56 TYR HB2 . . 3.970 3.644 3.507 3.829 . 0 0 "[ . 1 . 2]" 1
1181 1 42 TRP HE1 1 56 TYR HB3 . . 3.620 3.414 3.275 3.564 . 0 0 "[ . 1 . 2]" 1
1182 1 42 TRP HE1 1 56 TYR QD . . 4.630 4.127 3.586 4.568 . 0 0 "[ . 1 . 2]" 1
1183 1 42 TRP HE3 1 44 VAL MG1 . . 4.050 3.497 3.367 3.556 . 0 0 "[ . 1 . 2]" 1
1184 1 42 TRP HE3 1 54 VAL MG2 . . 5.500 5.044 4.899 5.158 . 0 0 "[ . 1 . 2]" 1
1185 1 42 TRP HE3 1 59 LEU QD . . 3.650 2.545 2.408 2.745 . 0 0 "[ . 1 . 2]" 1
1186 1 42 TRP HH2 1 56 TYR HB2 . . 5.500 5.170 4.773 5.573 0.073 16 0 "[ . 1 . 2]" 1
1187 1 42 TRP HZ2 1 56 TYR HB2 . . 4.320 4.009 3.727 4.261 . 0 0 "[ . 1 . 2]" 1
1188 1 42 TRP HZ2 1 56 TYR QD . . 5.030 3.864 3.154 4.593 . 0 0 "[ . 1 . 2]" 1
1189 1 42 TRP HZ3 1 44 VAL MG1 . . 5.260 5.268 5.103 5.332 0.072 4 0 "[ . 1 . 2]" 1
1190 1 42 TRP HZ3 1 59 LEU HB3 . . 4.440 4.269 4.094 4.476 0.036 6 0 "[ . 1 . 2]" 1
1191 1 42 TRP HZ3 1 59 LEU QD . . 4.540 3.793 3.597 4.023 . 0 0 "[ . 1 . 2]" 1
1192 1 43 LYS H 1 43 LYS HB2 . . 3.270 2.715 2.659 2.774 . 0 0 "[ . 1 . 2]" 1
1193 1 43 LYS H 1 43 LYS HB3 . . 3.190 2.559 2.483 2.627 . 0 0 "[ . 1 . 2]" 1
1194 1 43 LYS H 1 43 LYS HG2 . . 4.430 4.446 4.405 4.467 0.037 6 0 "[ . 1 . 2]" 1
1195 1 43 LYS H 1 43 LYS HG3 . . 4.760 4.525 4.490 4.559 . 0 0 "[ . 1 . 2]" 1
1196 1 43 LYS H 1 44 VAL H . . 4.130 4.258 4.215 4.288 0.158 12 0 "[ . 1 . 2]" 1
1197 1 43 LYS H 1 44 VAL HA . . 5.210 5.142 5.099 5.189 . 0 0 "[ . 1 . 2]" 1
1198 1 43 LYS H 1 44 VAL MG1 . . 4.160 3.968 3.874 4.035 . 0 0 "[ . 1 . 2]" 1
1199 1 43 LYS H 1 53 TYR HA . . 5.240 4.808 4.677 4.880 . 0 0 "[ . 1 . 2]" 1
1200 1 43 LYS H 1 53 TYR QD . . 4.350 3.667 3.548 3.822 . 0 0 "[ . 1 . 2]" 1
1201 1 43 LYS H 1 53 TYR QE . . 4.740 3.774 3.449 4.276 . 0 0 "[ . 1 . 2]" 1
1202 1 43 LYS H 1 59 LEU QD . . 5.500 5.343 5.199 5.510 0.010 13 0 "[ . 1 . 2]" 1
1203 1 43 LYS HA 1 43 LYS HD2 . . 4.880 4.258 4.158 4.353 . 0 0 "[ . 1 . 2]" 1
1204 1 43 LYS HA 1 43 LYS HD3 . . 5.010 4.653 4.597 4.718 . 0 0 "[ . 1 . 2]" 1
1205 1 43 LYS HA 1 43 LYS HG2 . . 3.470 2.998 2.840 3.160 . 0 0 "[ . 1 . 2]" 1
1206 1 43 LYS HA 1 43 LYS HG3 . . 3.640 2.395 2.336 2.480 . 0 0 "[ . 1 . 2]" 1
1207 1 43 LYS HA 1 44 VAL H . . 2.680 2.096 2.031 2.145 . 0 0 "[ . 1 . 2]" 1
1208 1 43 LYS HA 1 44 VAL HA . . 5.450 4.410 4.389 4.448 . 0 0 "[ . 1 . 2]" 1
1209 1 43 LYS HA 1 44 VAL MG1 . . 4.180 3.822 3.734 3.920 . 0 0 "[ . 1 . 2]" 1
1210 1 43 LYS HA 1 44 VAL MG2 . . 4.160 4.113 3.840 4.204 0.044 4 0 "[ . 1 . 2]" 1
1211 1 43 LYS HA 1 51 GLU HB3 . . 5.500 5.594 5.538 5.642 0.142 11 0 "[ . 1 . 2]" 1
1212 1 43 LYS HA 1 52 GLY H . . 4.220 4.067 3.836 4.151 . 0 0 "[ . 1 . 2]" 1
1213 1 43 LYS HA 1 52 GLY HA2 . . 5.500 4.846 4.175 5.093 . 0 0 "[ . 1 . 2]" 1
1214 1 43 LYS HA 1 52 GLY HA3 . . 5.500 5.426 5.074 5.498 . 0 0 "[ . 1 . 2]" 1
1215 1 43 LYS HA 1 53 TYR HA . . 3.290 2.677 2.573 2.741 . 0 0 "[ . 1 . 2]" 1
1216 1 43 LYS HA 1 53 TYR HB3 . . 4.990 4.750 4.621 4.960 . 0 0 "[ . 1 . 2]" 1
1217 1 43 LYS HA 1 53 TYR QD . . 4.080 2.948 2.694 3.267 . 0 0 "[ . 1 . 2]" 1
1218 1 43 LYS HA 1 53 TYR QE . . 4.330 3.854 3.690 3.993 . 0 0 "[ . 1 . 2]" 1
1219 1 43 LYS HA 1 54 VAL H . . 4.030 4.041 3.952 4.088 0.058 14 0 "[ . 1 . 2]" 1
1220 1 43 LYS HA 1 54 VAL MG2 . . 5.060 4.341 4.169 4.459 . 0 0 "[ . 1 . 2]" 1
1221 1 43 LYS HB2 1 44 VAL H . . 4.570 4.441 4.382 4.492 . 0 0 "[ . 1 . 2]" 1
1222 1 43 LYS HB2 1 53 TYR HA . . 4.750 4.573 4.409 4.691 . 0 0 "[ . 1 . 2]" 1
1223 1 43 LYS HB2 1 53 TYR QD . . 4.010 3.312 2.937 3.543 . 0 0 "[ . 1 . 2]" 1
1224 1 43 LYS HB2 1 53 TYR QE . . 3.420 2.327 2.261 2.419 . 0 0 "[ . 1 . 2]" 1
1225 1 43 LYS HB3 1 44 VAL H . . 4.700 4.328 4.239 4.447 . 0 0 "[ . 1 . 2]" 1
1226 1 43 LYS HB3 1 53 TYR QD . . 5.240 4.707 4.466 4.889 . 0 0 "[ . 1 . 2]" 1
1227 1 43 LYS HB3 1 53 TYR QE . . 4.330 3.947 3.842 4.039 . 0 0 "[ . 1 . 2]" 1
1228 1 43 LYS HD2 1 52 GLY HA2 . . 5.500 5.443 5.030 5.532 0.032 10 0 "[ . 1 . 2]" 1
1229 1 43 LYS HD2 1 53 TYR QE . . 4.650 3.596 3.018 3.816 . 0 0 "[ . 1 . 2]" 1
1230 1 43 LYS HD3 1 53 TYR QE . . 4.820 4.779 4.432 4.906 0.086 11 0 "[ . 1 . 2]" 1
1231 1 43 LYS QE 1 43 LYS HG2 . . 3.690 2.434 2.334 2.566 . 0 0 "[ . 1 . 2]" 1
1232 1 43 LYS QE 1 43 LYS HG3 . . 3.650 2.371 2.266 2.741 . 0 0 "[ . 1 . 2]" 1
1233 1 43 LYS QE 1 51 GLU HB2 . . 4.360 3.672 3.517 3.863 . 0 0 "[ . 1 . 2]" 1
1234 1 43 LYS QE 1 51 GLU HB3 . . 3.750 2.655 2.413 2.900 . 0 0 "[ . 1 . 2]" 1
1235 1 43 LYS HE2 1 51 GLU HB2 . . 5.080 4.198 3.852 4.762 . 0 0 "[ . 1 . 2]" 1
1236 1 43 LYS HE2 1 51 GLU HB3 . . 4.550 3.032 2.690 3.947 . 0 0 "[ . 1 . 2]" 1
1237 1 43 LYS HE2 1 52 GLY H . . 5.500 4.702 3.723 5.559 0.059 19 0 "[ . 1 . 2]" 1
1238 1 43 LYS HE3 1 51 GLU HB2 . . 5.080 4.130 3.644 5.113 0.033 14 0 "[ . 1 . 2]" 1
1239 1 43 LYS HE3 1 51 GLU HB3 . . 4.550 3.101 2.434 4.341 . 0 0 "[ . 1 . 2]" 1
1240 1 43 LYS HE3 1 52 GLY H . . 5.500 4.193 3.825 5.361 . 0 0 "[ . 1 . 2]" 1
1241 1 43 LYS HG2 1 44 VAL H . . 4.200 3.505 3.259 3.775 . 0 0 "[ . 1 . 2]" 1
1242 1 43 LYS HG2 1 51 GLU HA . . 5.290 4.954 4.706 5.078 . 0 0 "[ . 1 . 2]" 1
1243 1 43 LYS HG2 1 52 GLY H . . 4.460 3.855 3.352 4.072 . 0 0 "[ . 1 . 2]" 1
1244 1 43 LYS HG2 1 52 GLY HA2 . . 5.500 5.196 4.345 5.591 0.091 19 0 "[ . 1 . 2]" 1
1245 1 43 LYS HG2 1 53 TYR QD . . 5.500 5.363 4.977 5.543 0.043 18 0 "[ . 1 . 2]" 1
1246 1 43 LYS HG2 1 53 TYR QE . . 5.380 5.085 4.887 5.244 . 0 0 "[ . 1 . 2]" 1
1247 1 43 LYS HG3 1 44 VAL H . . 4.000 3.542 3.440 3.671 . 0 0 "[ . 1 . 2]" 1
1248 1 43 LYS HG3 1 51 GLU HA . . 5.500 5.117 4.712 5.331 . 0 0 "[ . 1 . 2]" 1
1249 1 43 LYS HG3 1 52 GLY H . . 4.060 3.398 3.084 3.514 . 0 0 "[ . 1 . 2]" 1
1250 1 43 LYS HG3 1 52 GLY HA2 . . 5.320 3.819 3.091 4.076 . 0 0 "[ . 1 . 2]" 1
1251 1 43 LYS HG3 1 53 TYR HA . . 5.500 4.250 4.029 4.377 . 0 0 "[ . 1 . 2]" 1
1252 1 43 LYS HG3 1 53 TYR QD . . 5.500 4.177 3.692 4.381 . 0 0 "[ . 1 . 2]" 1
1253 1 43 LYS HG3 1 53 TYR QE . . 5.500 4.012 3.693 4.370 . 0 0 "[ . 1 . 2]" 1
1254 1 44 VAL H 1 44 VAL MG1 . . 3.420 2.799 2.713 2.856 . 0 0 "[ . 1 . 2]" 1
1255 1 44 VAL H 1 44 VAL MG2 . . 2.870 2.402 2.223 2.506 . 0 0 "[ . 1 . 2]" 1
1256 1 44 VAL H 1 45 ARG H . . 4.860 4.495 4.476 4.521 . 0 0 "[ . 1 . 2]" 1
1257 1 44 VAL H 1 52 GLY H . . 3.980 3.369 2.984 3.566 . 0 0 "[ . 1 . 2]" 1
1258 1 44 VAL H 1 53 TYR HA . . 3.670 3.382 3.183 3.599 . 0 0 "[ . 1 . 2]" 1
1259 1 44 VAL H 1 54 VAL MG2 . . 3.510 3.444 3.133 3.545 0.035 2 0 "[ . 1 . 2]" 1
1260 1 44 VAL HA 1 44 VAL MG1 . . 2.960 2.525 2.463 2.573 . 0 0 "[ . 1 . 2]" 1
1261 1 44 VAL HA 1 44 VAL MG2 . . 3.740 3.241 3.216 3.250 . 0 0 "[ . 1 . 2]" 1
1262 1 44 VAL HA 1 45 ARG H . . 2.740 2.521 2.456 2.562 . 0 0 "[ . 1 . 2]" 1
1263 1 44 VAL HA 1 45 ARG HB2 . . 4.660 4.301 4.238 4.374 . 0 0 "[ . 1 . 2]" 1
1264 1 44 VAL HB 1 45 ARG H . . 2.840 2.219 2.161 2.278 . 0 0 "[ . 1 . 2]" 1
1265 1 44 VAL MG1 1 45 ARG H . . 4.520 3.797 3.737 3.828 . 0 0 "[ . 1 . 2]" 1
1266 1 44 VAL MG2 1 45 ARG H . . 3.250 2.873 2.796 2.982 . 0 0 "[ . 1 . 2]" 1
1267 1 44 VAL MG2 1 45 ARG HA . . 4.210 3.493 3.405 3.569 . 0 0 "[ . 1 . 2]" 1
1268 1 44 VAL MG2 1 46 ASP H . . 4.930 4.141 3.966 4.323 . 0 0 "[ . 1 . 2]" 1
1269 1 44 VAL MG2 1 46 ASP HA . . 5.200 4.321 4.171 4.425 . 0 0 "[ . 1 . 2]" 1
1270 1 44 VAL MG2 1 46 ASP QB . . 5.130 4.757 4.313 5.051 . 0 0 "[ . 1 . 2]" 1
1271 1 44 VAL MG2 1 51 GLU HA . . 4.900 4.502 4.289 4.596 . 0 0 "[ . 1 . 2]" 1
1272 1 44 VAL MG2 1 52 GLY H . . 4.190 4.114 3.657 4.216 0.026 6 0 "[ . 1 . 2]" 1
1273 1 44 VAL MG2 1 53 TYR HA . . 4.630 4.153 3.980 4.392 . 0 0 "[ . 1 . 2]" 1
1274 1 45 ARG H 1 45 ARG HB2 . . 4.010 3.147 3.040 3.205 . 0 0 "[ . 1 . 2]" 1
1275 1 45 ARG H 1 45 ARG HB3 . . 3.310 2.745 2.672 2.830 . 0 0 "[ . 1 . 2]" 1
1276 1 45 ARG H 1 45 ARG HG2 . . 4.940 4.563 4.505 4.631 . 0 0 "[ . 1 . 2]" 1
1277 1 45 ARG H 1 45 ARG HG3 . . 5.500 4.734 4.680 4.791 . 0 0 "[ . 1 . 2]" 1
1278 1 45 ARG H 1 46 ASP H . . 5.110 4.387 4.309 4.455 . 0 0 "[ . 1 . 2]" 1
1279 1 45 ARG H 1 46 ASP HA . . 5.500 4.948 4.825 5.022 . 0 0 "[ . 1 . 2]" 1
1280 1 45 ARG H 1 51 GLU HA . . 5.100 4.922 4.754 4.999 . 0 0 "[ . 1 . 2]" 1
1281 1 45 ARG HA 1 45 ARG QD . . 4.600 3.942 3.840 4.077 . 0 0 "[ . 1 . 2]" 1
1282 1 45 ARG HA 1 45 ARG HG2 . . 3.820 3.164 2.926 3.300 . 0 0 "[ . 1 . 2]" 1
1283 1 45 ARG HA 1 45 ARG HG3 . . 3.700 2.475 2.400 2.566 . 0 0 "[ . 1 . 2]" 1
1284 1 45 ARG HA 1 46 ASP H . . 2.560 2.154 2.120 2.205 . 0 0 "[ . 1 . 2]" 1
1285 1 45 ARG HA 1 46 ASP HB2 . . 5.490 4.713 4.261 5.549 0.059 10 0 "[ . 1 . 2]" 1
1286 1 45 ARG HA 1 46 ASP QB . . 4.740 4.124 4.045 4.151 . 0 0 "[ . 1 . 2]" 1
1287 1 45 ARG HA 1 46 ASP HB3 . . 5.490 5.095 4.166 5.582 0.092 7 0 "[ . 1 . 2]" 1
1288 1 45 ARG HA 1 50 GLN H . . 4.420 4.332 4.208 4.508 0.088 8 0 "[ . 1 . 2]" 1
1289 1 45 ARG HA 1 51 GLU H . . 4.900 4.710 4.590 4.764 . 0 0 "[ . 1 . 2]" 1
1290 1 45 ARG HA 1 51 GLU HA . . 3.320 2.488 2.322 2.578 . 0 0 "[ . 1 . 2]" 1
1291 1 45 ARG HA 1 51 GLU HB2 . . 5.140 5.176 5.157 5.193 0.053 8 0 "[ . 1 . 2]" 1
1292 1 45 ARG HA 1 51 GLU HB3 . . 4.640 4.477 4.313 4.571 . 0 0 "[ . 1 . 2]" 1
1293 1 45 ARG HA 1 51 GLU HG2 . . 4.140 3.518 3.294 3.853 . 0 0 "[ . 1 . 2]" 1
1294 1 45 ARG HA 1 51 GLU HG3 . . 4.320 3.630 3.267 4.020 . 0 0 "[ . 1 . 2]" 1
1295 1 45 ARG HA 1 52 GLY H . . 4.210 4.041 3.805 4.197 . 0 0 "[ . 1 . 2]" 1
1296 1 45 ARG HB2 1 45 ARG QD . . 3.580 2.355 2.270 2.500 . 0 0 "[ . 1 . 2]" 1
1297 1 45 ARG HB2 1 46 ASP H . . 4.550 4.214 4.177 4.304 . 0 0 "[ . 1 . 2]" 1
1298 1 45 ARG HB2 1 51 GLU H . . 5.440 5.486 5.434 5.502 0.062 3 0 "[ . 1 . 2]" 1
1299 1 45 ARG HB2 1 51 GLU HA . . 4.860 3.590 3.359 3.651 . 0 0 "[ . 1 . 2]" 1
1300 1 45 ARG HB2 1 51 GLU HG2 . . 3.540 2.303 2.220 2.431 . 0 0 "[ . 1 . 2]" 1
1301 1 45 ARG HB3 1 45 ARG QD . . 3.550 2.905 2.384 3.101 . 0 0 "[ . 1 . 2]" 1
1302 1 45 ARG HB3 1 46 ASP H . . 4.670 4.172 3.994 4.284 . 0 0 "[ . 1 . 2]" 1
1303 1 45 ARG HB3 1 51 GLU HA . . 5.130 4.981 4.761 5.073 . 0 0 "[ . 1 . 2]" 1
1304 1 45 ARG QD 1 46 ASP H . . 5.340 4.604 4.504 4.739 . 0 0 "[ . 1 . 2]" 1
1305 1 45 ARG QD 1 49 GLY H . . 4.820 4.462 4.246 4.637 . 0 0 "[ . 1 . 2]" 1
1306 1 45 ARG QD 1 49 GLY HA2 . . 3.690 2.763 2.433 2.917 . 0 0 "[ . 1 . 2]" 1
1307 1 45 ARG QD 1 49 GLY HA3 . . 4.360 4.175 3.966 4.377 0.017 8 0 "[ . 1 . 2]" 1
1308 1 45 ARG QD 1 50 GLN H . . 4.570 4.043 3.861 4.449 . 0 0 "[ . 1 . 2]" 1
1309 1 45 ARG QD 1 51 GLU HG2 . . 3.880 2.750 2.474 3.542 . 0 0 "[ . 1 . 2]" 1
1310 1 45 ARG QD 1 51 GLU HG3 . . 4.470 2.590 2.310 3.591 . 0 0 "[ . 1 . 2]" 1
1311 1 45 ARG HG2 1 46 ASP H . . 3.700 3.074 2.582 3.366 . 0 0 "[ . 1 . 2]" 1
1312 1 45 ARG HG2 1 46 ASP HA . . 4.680 4.586 4.448 4.762 0.082 11 0 "[ . 1 . 2]" 1
1313 1 45 ARG HG2 1 49 GLY H . . 3.990 3.629 3.417 3.760 . 0 0 "[ . 1 . 2]" 1
1314 1 45 ARG HG2 1 49 GLY HA2 . . 3.780 3.322 3.149 3.535 . 0 0 "[ . 1 . 2]" 1
1315 1 45 ARG HG2 1 49 GLY HA3 . . 5.250 4.967 4.672 5.188 . 0 0 "[ . 1 . 2]" 1
1316 1 45 ARG HG2 1 50 GLN H . . 3.480 3.360 3.034 3.493 0.013 15 0 "[ . 1 . 2]" 1
1317 1 45 ARG HG2 1 50 GLN HA . . 5.500 5.346 4.911 5.523 0.023 4 0 "[ . 1 . 2]" 1
1318 1 45 ARG HG2 1 51 GLU HA . . 5.350 4.922 4.516 5.176 . 0 0 "[ . 1 . 2]" 1
1319 1 45 ARG HG3 1 46 ASP H . . 3.630 2.946 2.734 3.123 . 0 0 "[ . 1 . 2]" 1
1320 1 45 ARG HG3 1 49 GLY H . . 4.430 4.290 4.155 4.464 0.034 17 0 "[ . 1 . 2]" 1
1321 1 45 ARG HG3 1 49 GLY HA2 . . 3.930 3.662 3.532 3.836 . 0 0 "[ . 1 . 2]" 1
1322 1 45 ARG HG3 1 49 GLY HA3 . . 5.170 5.039 4.944 5.159 . 0 0 "[ . 1 . 2]" 1
1323 1 45 ARG HG3 1 50 GLN H . . 5.500 3.093 2.874 3.476 . 0 0 "[ . 1 . 2]" 1
1324 1 45 ARG HG3 1 50 GLN HA . . 4.620 4.095 4.038 4.194 . 0 0 "[ . 1 . 2]" 1
1325 1 45 ARG HG3 1 51 GLU H . . 4.590 4.075 3.762 4.252 . 0 0 "[ . 1 . 2]" 1
1326 1 45 ARG HG3 1 51 GLU HA . . 4.700 3.432 3.159 3.649 . 0 0 "[ . 1 . 2]" 1
1327 1 45 ARG HG3 1 51 GLU HG2 . . 4.170 3.145 2.745 3.497 . 0 0 "[ . 1 . 2]" 1
1328 1 45 ARG HG3 1 51 GLU HG3 . . 4.000 2.371 2.260 2.781 . 0 0 "[ . 1 . 2]" 1
1329 1 46 ASP H 1 46 ASP HB2 . . 3.610 2.658 2.149 3.570 . 0 0 "[ . 1 . 2]" 1
1330 1 46 ASP H 1 46 ASP QB . . 2.980 2.209 2.128 2.344 . 0 0 "[ . 1 . 2]" 1
1331 1 46 ASP H 1 46 ASP HB3 . . 3.610 3.068 2.268 3.473 . 0 0 "[ . 1 . 2]" 1
1332 1 46 ASP H 1 47 PRO HD2 . . 5.010 4.854 4.804 4.930 . 0 0 "[ . 1 . 2]" 1
1333 1 46 ASP H 1 47 PRO HD3 . . 5.160 5.167 5.114 5.200 0.040 4 0 "[ . 1 . 2]" 1
1334 1 46 ASP H 1 48 ALA H . . 4.850 4.612 4.310 4.809 . 0 0 "[ . 1 . 2]" 1
1335 1 46 ASP H 1 49 GLY H . . 4.580 4.169 3.962 4.287 . 0 0 "[ . 1 . 2]" 1
1336 1 46 ASP H 1 49 GLY HA2 . . 5.500 5.157 5.029 5.275 . 0 0 "[ . 1 . 2]" 1
1337 1 46 ASP H 1 50 GLN H . . 3.470 2.936 2.848 3.029 . 0 0 "[ . 1 . 2]" 1
1338 1 46 ASP H 1 50 GLN HA . . 5.320 4.779 4.696 4.828 . 0 0 "[ . 1 . 2]" 1
1339 1 46 ASP H 1 50 GLN HB2 . . 4.150 3.318 3.247 3.363 . 0 0 "[ . 1 . 2]" 1
1340 1 46 ASP H 1 50 GLN QG . . 4.500 4.646 4.631 4.670 0.170 17 0 "[ . 1 . 2]" 1
1341 1 46 ASP H 1 51 GLU H . . 5.500 5.043 4.972 5.073 . 0 0 "[ . 1 . 2]" 1
1342 1 46 ASP H 1 51 GLU HA . . 3.850 3.849 3.787 3.875 0.025 4 0 "[ . 1 . 2]" 1
1343 1 46 ASP H 1 51 GLU HG2 . . 5.500 5.264 5.072 5.515 0.015 6 0 "[ . 1 . 2]" 1
1344 1 46 ASP H 1 51 GLU HG3 . . 5.500 4.741 4.361 5.215 . 0 0 "[ . 1 . 2]" 1
1345 1 46 ASP H 1 52 GLY H . . 5.500 5.504 5.327 5.566 0.066 19 0 "[ . 1 . 2]" 1
1346 1 46 ASP HA 1 47 PRO HA . . 4.650 4.355 4.334 4.399 . 0 0 "[ . 1 . 2]" 1
1347 1 46 ASP HA 1 47 PRO HD2 . . 3.370 2.574 2.464 2.800 . 0 0 "[ . 1 . 2]" 1
1348 1 46 ASP HA 1 47 PRO HD3 . . 3.020 2.399 2.358 2.422 . 0 0 "[ . 1 . 2]" 1
1349 1 46 ASP HA 1 47 PRO HG2 . . 4.760 4.689 4.621 4.820 0.060 17 0 "[ . 1 . 2]" 1
1350 1 46 ASP HA 1 47 PRO HG3 . . 4.580 4.623 4.608 4.647 0.067 17 0 "[ . 1 . 2]" 1
1351 1 46 ASP HA 1 48 ALA H . . 4.430 4.119 4.022 4.280 . 0 0 "[ . 1 . 2]" 1
1352 1 46 ASP HA 1 48 ALA MB . . 5.500 5.272 5.124 5.539 0.039 17 0 "[ . 1 . 2]" 1
1353 1 46 ASP QB 1 47 PRO HD2 . . 2.920 2.131 2.029 2.193 . 0 0 "[ . 1 . 2]" 1
1354 1 46 ASP QB 1 47 PRO HD3 . . 3.610 3.365 3.009 3.538 . 0 0 "[ . 1 . 2]" 1
1355 1 46 ASP QB 1 47 PRO HG2 . . 4.310 3.910 3.738 4.220 . 0 0 "[ . 1 . 2]" 1
1356 1 46 ASP QB 1 47 PRO HG3 . . 4.760 4.632 4.558 4.688 . 0 0 "[ . 1 . 2]" 1
1357 1 46 ASP QB 1 48 ALA H . . 4.390 2.843 2.278 3.872 . 0 0 "[ . 1 . 2]" 1
1358 1 46 ASP QB 1 48 ALA MB . . 4.310 3.323 2.839 4.212 . 0 0 "[ . 1 . 2]" 1
1359 1 46 ASP QB 1 49 GLY H . . 5.320 3.707 3.339 4.304 . 0 0 "[ . 1 . 2]" 1
1360 1 46 ASP HB2 1 47 PRO HD2 . . 3.610 3.145 2.039 3.746 0.136 16 0 "[ . 1 . 2]" 1
1361 1 46 ASP HB2 1 48 ALA H . . 5.180 3.735 3.489 4.153 . 0 0 "[ . 1 . 2]" 1
1362 1 46 ASP HB3 1 47 PRO HD2 . . 3.610 2.712 2.182 3.676 0.066 17 0 "[ . 1 . 2]" 1
1363 1 46 ASP HB3 1 48 ALA H . . 5.180 3.127 2.309 4.647 . 0 0 "[ . 1 . 2]" 1
1364 1 47 PRO HA 1 48 ALA MB . . 5.200 4.850 4.649 4.962 . 0 0 "[ . 1 . 2]" 1
1365 1 47 PRO HA 1 49 GLY H . . 4.730 4.097 3.655 4.768 0.038 9 0 "[ . 1 . 2]" 1
1366 1 47 PRO HB2 1 48 ALA HA . . 4.990 4.701 4.555 4.948 . 0 0 "[ . 1 . 2]" 1
1367 1 47 PRO HD2 1 48 ALA H . . 4.430 3.226 2.919 3.817 . 0 0 "[ . 1 . 2]" 1
1368 1 47 PRO HD2 1 48 ALA MB . . 4.390 4.118 4.021 4.294 . 0 0 "[ . 1 . 2]" 1
1369 1 47 PRO HD2 1 49 GLY H . . 5.500 5.030 4.864 5.303 . 0 0 "[ . 1 . 2]" 1
1370 1 47 PRO HD3 1 48 ALA H . . 4.800 4.186 4.014 4.503 . 0 0 "[ . 1 . 2]" 1
1371 1 47 PRO HG2 1 48 ALA H . . 4.680 3.427 3.002 4.216 . 0 0 "[ . 1 . 2]" 1
1372 1 47 PRO HG2 1 48 ALA MB . . 4.300 3.768 3.615 3.970 . 0 0 "[ . 1 . 2]" 1
1373 1 47 PRO HG3 1 48 ALA H . . 5.500 4.750 4.423 5.344 . 0 0 "[ . 1 . 2]" 1
1374 1 48 ALA H 1 48 ALA HA . . 2.930 2.949 2.932 2.977 0.047 9 0 "[ . 1 . 2]" 1
1375 1 48 ALA H 1 48 ALA MB . . 2.740 2.337 2.203 2.609 . 0 0 "[ . 1 . 2]" 1
1376 1 48 ALA H 1 49 GLY H . . 2.620 2.282 1.967 2.470 . 0 0 "[ . 1 . 2]" 1
1377 1 48 ALA H 1 49 GLY HA2 . . 4.730 4.557 4.086 4.784 0.054 3 0 "[ . 1 . 2]" 1
1378 1 48 ALA H 1 49 GLY HA3 . . 5.130 4.987 4.663 5.173 0.043 11 0 "[ . 1 . 2]" 1
1379 1 48 ALA H 1 50 GLN H . . 3.820 3.725 3.438 3.877 0.057 6 0 "[ . 1 . 2]" 1
1380 1 48 ALA H 1 50 GLN QG . . 5.340 4.271 4.166 4.428 . 0 0 "[ . 1 . 2]" 1
1381 1 48 ALA HA 1 50 GLN H . . 5.500 5.385 5.290 5.454 . 0 0 "[ . 1 . 2]" 1
1382 1 48 ALA MB 1 49 GLY H . . 3.530 2.943 2.600 3.136 . 0 0 "[ . 1 . 2]" 1
1383 1 48 ALA MB 1 49 GLY HA2 . . 4.730 4.706 4.577 4.779 0.049 2 0 "[ . 1 . 2]" 1
1384 1 48 ALA MB 1 49 GLY HA3 . . 4.420 4.248 4.050 4.378 . 0 0 "[ . 1 . 2]" 1
1385 1 48 ALA MB 1 50 GLN H . . 3.690 3.696 3.649 3.716 0.026 9 0 "[ . 1 . 2]" 1
1386 1 48 ALA MB 1 50 GLN HB2 . . 4.920 4.124 3.718 4.516 . 0 0 "[ . 1 . 2]" 1
1387 1 48 ALA MB 1 50 GLN HE21 . . 4.580 3.458 2.819 3.740 . 0 0 "[ . 1 . 2]" 1
1388 1 48 ALA MB 1 50 GLN HE22 . . 5.010 4.490 3.831 4.716 . 0 0 "[ . 1 . 2]" 1
1389 1 48 ALA MB 1 50 GLN QG . . 3.140 2.687 2.451 3.039 . 0 0 "[ . 1 . 2]" 1
1390 1 49 GLY H 1 49 GLY HA2 . . 2.780 2.465 2.318 2.696 . 0 0 "[ . 1 . 2]" 1
1391 1 49 GLY H 1 50 GLN H . . 2.670 2.170 1.847 2.351 . 0 0 "[ . 1 . 2]" 1
1392 1 49 GLY H 1 50 GLN HB2 . . 5.160 4.323 3.937 4.553 . 0 0 "[ . 1 . 2]" 1
1393 1 49 GLY H 1 50 GLN HG2 . . 5.080 4.724 4.382 4.984 . 0 0 "[ . 1 . 2]" 1
1394 1 49 GLY H 1 50 GLN QG . . 4.420 3.458 3.008 3.759 . 0 0 "[ . 1 . 2]" 1
1395 1 49 GLY H 1 50 GLN HG3 . . 5.080 3.560 3.064 3.910 . 0 0 "[ . 1 . 2]" 1
1396 1 49 GLY HA2 1 50 GLN H . . 3.470 3.026 2.907 3.213 . 0 0 "[ . 1 . 2]" 1
1397 1 49 GLY HA2 1 50 GLN HB2 . . 5.500 5.511 5.396 5.590 0.090 8 0 "[ . 1 . 2]" 1
1398 1 49 GLY HA2 1 51 GLU HG3 . . 5.500 5.039 4.907 5.291 . 0 0 "[ . 1 . 2]" 1
1399 1 49 GLY HA3 1 50 GLN HB2 . . 5.500 5.635 5.594 5.678 0.178 4 0 "[ . 1 . 2]" 1
1400 1 49 GLY HA3 1 50 GLN QG . . 5.340 3.899 3.821 3.991 . 0 0 "[ . 1 . 2]" 1
1401 1 50 GLN H 1 50 GLN HB2 . . 3.420 2.543 2.415 2.612 . 0 0 "[ . 1 . 2]" 1
1402 1 50 GLN H 1 50 GLN HB3 . . 3.940 3.718 3.622 3.767 . 0 0 "[ . 1 . 2]" 1
1403 1 50 GLN H 1 50 GLN HE21 . . 4.940 4.428 4.048 4.729 . 0 0 "[ . 1 . 2]" 1
1404 1 50 GLN H 1 50 GLN HG2 . . 3.720 3.474 3.408 3.584 . 0 0 "[ . 1 . 2]" 1
1405 1 50 GLN H 1 50 GLN QG . . 3.040 2.583 2.369 2.719 . 0 0 "[ . 1 . 2]" 1
1406 1 50 GLN H 1 50 GLN HG3 . . 3.720 2.668 2.417 2.839 . 0 0 "[ . 1 . 2]" 1
1407 1 50 GLN H 1 51 GLU H . . 4.400 4.435 4.417 4.445 0.045 5 0 "[ . 1 . 2]" 1
1408 1 50 GLN HA 1 50 GLN HG2 . . 3.860 2.548 2.453 2.581 . 0 0 "[ . 1 . 2]" 1
1409 1 50 GLN HA 1 50 GLN QG . . 3.320 2.481 2.391 2.518 . 0 0 "[ . 1 . 2]" 1
1410 1 50 GLN HA 1 50 GLN HG3 . . 3.860 3.416 3.304 3.527 . 0 0 "[ . 1 . 2]" 1
1411 1 50 GLN HA 1 51 GLU H . . 2.400 2.161 2.145 2.207 . 0 0 "[ . 1 . 2]" 1
1412 1 50 GLN HA 1 51 GLU HA . . 4.860 4.480 4.465 4.498 . 0 0 "[ . 1 . 2]" 1
1413 1 50 GLN HA 1 51 GLU HB2 . . 4.690 4.565 4.520 4.671 . 0 0 "[ . 1 . 2]" 1
1414 1 50 GLN HA 1 51 GLU HG2 . . 5.500 5.490 5.392 5.545 0.045 6 0 "[ . 1 . 2]" 1
1415 1 50 GLN HA 1 51 GLU HG3 . . 4.470 3.893 3.808 4.052 . 0 0 "[ . 1 . 2]" 1
1416 1 50 GLN HB2 1 50 GLN HE21 . . 4.150 2.621 2.501 2.783 . 0 0 "[ . 1 . 2]" 1
1417 1 50 GLN HB2 1 51 GLU H . . 4.180 4.156 4.091 4.254 0.074 11 0 "[ . 1 . 2]" 1
1418 1 50 GLN HB3 1 50 GLN HE21 . . 4.630 3.343 3.090 3.676 . 0 0 "[ . 1 . 2]" 1
1419 1 50 GLN HB3 1 50 GLN QG . . 2.590 2.468 2.436 2.500 . 0 0 "[ . 1 . 2]" 1
1420 1 50 GLN HB3 1 51 GLU H . . 3.590 3.322 3.211 3.456 . 0 0 "[ . 1 . 2]" 1
1421 1 50 GLN QG 1 51 GLU H . . 4.480 4.327 4.293 4.378 . 0 0 "[ . 1 . 2]" 1
1422 1 51 GLU H 1 51 GLU HB2 . . 3.060 2.541 2.471 2.680 . 0 0 "[ . 1 . 2]" 1
1423 1 51 GLU H 1 51 GLU HB3 . . 3.760 3.729 3.690 3.780 0.020 6 0 "[ . 1 . 2]" 1
1424 1 51 GLU H 1 51 GLU HG2 . . 4.640 4.149 3.967 4.283 . 0 0 "[ . 1 . 2]" 1
1425 1 51 GLU H 1 51 GLU HG3 . . 3.180 2.881 2.783 2.999 . 0 0 "[ . 1 . 2]" 1
1426 1 51 GLU HA 1 51 GLU HG2 . . 3.640 2.824 2.488 3.172 . 0 0 "[ . 1 . 2]" 1
1427 1 51 GLU HA 1 51 GLU HG3 . . 3.870 2.831 2.641 2.971 . 0 0 "[ . 1 . 2]" 1
1428 1 51 GLU HA 1 52 GLY H . . 2.570 2.216 2.185 2.284 . 0 0 "[ . 1 . 2]" 1
1429 1 51 GLU HA 1 52 GLY HA2 . . 5.110 4.585 4.547 4.600 . 0 0 "[ . 1 . 2]" 1
1430 1 51 GLU HA 1 52 GLY HA3 . . 4.920 4.332 4.283 4.420 . 0 0 "[ . 1 . 2]" 1
1431 1 51 GLU HB2 1 51 GLU HG2 . . 2.990 2.997 2.906 3.031 0.041 8 0 "[ . 1 . 2]" 1
1432 1 51 GLU HB2 1 52 GLY H . . 4.080 3.866 3.755 4.003 . 0 0 "[ . 1 . 2]" 1
1433 1 51 GLU HB3 1 52 GLY H . . 3.360 2.737 2.601 2.843 . 0 0 "[ . 1 . 2]" 1
1434 1 51 GLU HG2 1 52 GLY H . . 4.520 4.199 3.968 4.489 . 0 0 "[ . 1 . 2]" 1
1435 1 51 GLU HG3 1 52 GLY H . . 4.820 4.750 4.590 4.892 0.072 11 0 "[ . 1 . 2]" 1
1436 1 52 GLY H 1 53 TYR H . . 4.440 4.288 3.973 4.420 . 0 0 "[ . 1 . 2]" 1
1437 1 52 GLY HA2 1 53 TYR H . . 3.400 2.823 2.565 3.234 . 0 0 "[ . 1 . 2]" 1
1438 1 52 GLY HA2 1 53 TYR HA . . 5.370 4.493 4.290 4.735 . 0 0 "[ . 1 . 2]" 1
1439 1 52 GLY HA2 1 53 TYR QD . . 5.060 4.109 3.732 4.465 . 0 0 "[ . 1 . 2]" 1
1440 1 52 GLY HA2 1 53 TYR QE . . 5.500 4.887 4.602 5.183 . 0 0 "[ . 1 . 2]" 1
1441 1 52 GLY HA2 2 11 ILE MD . . 3.560 2.660 2.235 3.145 . 0 0 "[ . 1 . 2]" 1
1442 1 52 GLY HA2 2 11 ILE QG . . 4.750 4.024 2.464 4.775 0.025 11 0 "[ . 1 . 2]" 1
1443 1 52 GLY HA3 1 53 TYR H . . 3.450 2.367 2.172 2.462 . 0 0 "[ . 1 . 2]" 1
1444 1 52 GLY HA3 1 53 TYR HA . . 5.310 4.521 4.459 4.586 . 0 0 "[ . 1 . 2]" 1
1445 1 52 GLY HA3 1 53 TYR QD . . 4.990 4.827 4.619 5.062 0.072 17 0 "[ . 1 . 2]" 1
1446 1 52 GLY HA3 2 11 ILE MD . . 4.510 3.855 3.283 4.579 0.069 19 0 "[ . 1 . 2]" 1
1447 1 53 TYR H 1 53 TYR HB2 . . 3.600 2.491 2.390 2.830 . 0 0 "[ . 1 . 2]" 1
1448 1 53 TYR H 1 53 TYR HB3 . . 4.060 3.680 3.621 3.866 . 0 0 "[ . 1 . 2]" 1
1449 1 53 TYR H 1 53 TYR QD . . 4.090 3.292 3.072 3.928 . 0 0 "[ . 1 . 2]" 1
1450 1 53 TYR H 1 54 VAL MG1 . . 4.740 4.319 3.807 4.466 . 0 0 "[ . 1 . 2]" 1
1451 1 53 TYR HA 1 53 TYR QD . . 3.650 2.488 2.276 2.657 . 0 0 "[ . 1 . 2]" 1
1452 1 53 TYR HA 1 53 TYR QE . . 4.520 4.500 4.328 4.550 0.030 3 0 "[ . 1 . 2]" 1
1453 1 53 TYR HA 1 54 VAL H . . 2.690 2.150 2.055 2.197 . 0 0 "[ . 1 . 2]" 1
1454 1 53 TYR HA 1 54 VAL MG1 . . 4.430 3.908 3.830 4.002 . 0 0 "[ . 1 . 2]" 1
1455 1 53 TYR HA 1 54 VAL MG2 . . 4.230 3.568 3.456 3.630 . 0 0 "[ . 1 . 2]" 1
1456 1 53 TYR HB2 1 54 VAL H . . 4.260 4.076 3.948 4.206 . 0 0 "[ . 1 . 2]" 1
1457 1 53 TYR HB3 1 54 VAL H . . 4.010 2.963 2.815 3.174 . 0 0 "[ . 1 . 2]" 1
1458 1 53 TYR QD 1 54 VAL H . . 4.020 3.530 3.368 3.699 . 0 0 "[ . 1 . 2]" 1
1459 1 53 TYR QD 1 54 VAL MG2 . . 5.090 4.919 4.792 5.090 . 2 0 "[ . 1 . 2]" 1
1460 1 53 TYR QD 2 11 ILE MD . . 3.550 3.002 2.646 3.432 . 0 0 "[ . 1 . 2]" 1
1461 1 53 TYR QD 2 11 ILE QG . . 5.300 2.892 2.595 3.256 . 0 0 "[ . 1 . 2]" 1
1462 1 53 TYR QE 2 10 PRO HA . . 3.780 3.257 2.164 3.749 . 0 0 "[ . 1 . 2]" 1
1463 1 53 TYR QE 2 10 PRO QB . . 5.340 4.968 3.966 5.406 0.066 13 0 "[ . 1 . 2]" 1
1464 1 53 TYR QE 2 11 ILE HB . . 5.500 5.009 4.834 5.210 . 0 0 "[ . 1 . 2]" 1
1465 1 53 TYR QE 2 11 ILE MD . . 3.110 2.544 2.308 2.759 . 0 0 "[ . 1 . 2]" 1
1466 1 53 TYR QE 2 11 ILE HG12 . . 4.480 2.771 2.383 3.411 . 0 0 "[ . 1 . 2]" 1
1467 1 53 TYR QE 2 11 ILE QG . . 3.600 2.487 2.201 2.866 . 0 0 "[ . 1 . 2]" 1
1468 1 53 TYR QE 2 11 ILE HG13 . . 4.480 3.025 2.478 4.205 . 0 0 "[ . 1 . 2]" 1
1469 1 54 VAL H 1 54 VAL HB . . 4.090 3.878 3.847 3.902 . 0 0 "[ . 1 . 2]" 1
1470 1 54 VAL H 1 54 VAL MG1 . . 3.660 3.230 3.174 3.339 . 0 0 "[ . 1 . 2]" 1
1471 1 54 VAL H 1 54 VAL MG2 . . 2.980 2.340 2.304 2.378 . 0 0 "[ . 1 . 2]" 1
1472 1 54 VAL H 1 55 PRO HD2 . . 4.860 4.897 4.878 4.905 0.045 20 0 "[ . 1 . 2]" 1
1473 1 54 VAL H 1 55 PRO HD3 . . 5.130 4.939 4.864 4.983 . 0 0 "[ . 1 . 2]" 1
1474 1 54 VAL H 1 59 LEU QD . . 4.390 4.225 4.073 4.358 . 0 0 "[ . 1 . 2]" 1
1475 1 54 VAL HA 1 54 VAL MG1 . . 3.310 2.323 2.294 2.357 . 0 0 "[ . 1 . 2]" 1
1476 1 54 VAL HA 1 54 VAL MG2 . . 3.730 3.247 3.233 3.265 . 0 0 "[ . 1 . 2]" 1
1477 1 54 VAL HA 1 55 PRO HD2 . . 3.360 2.461 2.397 2.502 . 0 0 "[ . 1 . 2]" 1
1478 1 54 VAL HA 1 55 PRO HD3 . . 3.190 2.388 2.269 2.448 . 0 0 "[ . 1 . 2]" 1
1479 1 54 VAL HA 1 55 PRO HG2 . . 4.830 4.606 4.559 4.636 . 0 0 "[ . 1 . 2]" 1
1480 1 54 VAL HA 1 55 PRO HG3 . . 5.090 4.586 4.464 4.625 . 0 0 "[ . 1 . 2]" 1
1481 1 54 VAL HB 1 55 PRO HA . . 5.500 4.977 4.910 5.087 . 0 0 "[ . 1 . 2]" 1
1482 1 54 VAL HB 1 55 PRO HD2 . . 3.100 2.158 2.114 2.239 . 0 0 "[ . 1 . 2]" 1
1483 1 54 VAL HB 1 55 PRO HD3 . . 3.660 3.575 3.474 3.642 . 0 0 "[ . 1 . 2]" 1
1484 1 54 VAL HB 1 55 PRO HG2 . . 4.480 3.954 3.871 4.069 . 0 0 "[ . 1 . 2]" 1
1485 1 54 VAL HB 1 55 PRO HG3 . . 5.010 4.809 4.751 4.903 . 0 0 "[ . 1 . 2]" 1
1486 1 54 VAL HB 1 58 ILE MD . . 3.240 2.838 2.662 3.000 . 0 0 "[ . 1 . 2]" 1
1487 1 54 VAL MG1 1 55 PRO HD2 . . 3.570 3.146 3.003 3.244 . 0 0 "[ . 1 . 2]" 1
1488 1 54 VAL MG2 1 55 PRO HD2 . . 3.750 3.737 3.646 3.798 0.048 11 0 "[ . 1 . 2]" 1
1489 1 55 PRO HA 1 56 TYR H . . 2.930 2.224 2.212 2.237 . 0 0 "[ . 1 . 2]" 1
1490 1 55 PRO HA 1 56 TYR HB3 . . 4.440 4.450 4.434 4.468 0.028 8 0 "[ . 1 . 2]" 1
1491 1 55 PRO HA 1 56 TYR QD . . 4.380 3.871 3.737 3.995 . 0 0 "[ . 1 . 2]" 1
1492 1 55 PRO HA 1 57 ASN H . . 4.760 3.818 3.705 3.972 . 0 0 "[ . 1 . 2]" 1
1493 1 55 PRO HA 1 59 LEU HG . . 5.500 5.476 5.336 5.585 0.085 16 0 "[ . 1 . 2]" 1
1494 1 55 PRO HA 2 3 VAL HA . . 4.870 4.764 4.489 4.970 0.100 16 0 "[ . 1 . 2]" 1
1495 1 55 PRO HA 2 4 PRO HD2 . . 3.870 3.397 3.128 3.614 . 0 0 "[ . 1 . 2]" 1
1496 1 55 PRO HB2 1 56 TYR H . . 4.270 3.601 3.453 3.711 . 0 0 "[ . 1 . 2]" 1
1497 1 55 PRO HB2 1 56 TYR QD . . 5.230 4.183 4.081 4.405 . 0 0 "[ . 1 . 2]" 1
1498 1 55 PRO HB2 1 57 ASN H . . 4.310 2.674 2.569 2.733 . 0 0 "[ . 1 . 2]" 1
1499 1 55 PRO HB2 1 59 LEU H . . 5.500 5.480 5.328 5.580 0.080 7 0 "[ . 1 . 2]" 1
1500 1 55 PRO HB2 2 3 VAL HA . . 3.410 3.377 2.926 3.492 0.082 14 0 "[ . 1 . 2]" 1
1501 1 55 PRO HB2 2 4 PRO HD2 . . 3.130 2.590 2.262 2.925 . 0 0 "[ . 1 . 2]" 1
1502 1 55 PRO HB3 1 56 TYR H . . 4.330 4.082 3.959 4.160 . 0 0 "[ . 1 . 2]" 1
1503 1 55 PRO HB3 1 56 TYR QD . . 5.500 4.954 4.835 5.066 . 0 0 "[ . 1 . 2]" 1
1504 1 55 PRO HB3 1 57 ASN H . . 4.160 4.213 4.172 4.253 0.093 11 0 "[ . 1 . 2]" 1
1505 1 55 PRO HB3 2 3 VAL HA . . 3.510 2.651 2.391 2.896 . 0 0 "[ . 1 . 2]" 1
1506 1 55 PRO HB3 2 4 PRO HD2 . . 3.240 2.096 2.033 2.189 . 0 0 "[ . 1 . 2]" 1
1507 1 55 PRO HD2 1 58 ILE MD . . 3.310 2.632 2.457 2.779 . 0 0 "[ . 1 . 2]" 1
1508 1 55 PRO HD2 1 58 ILE HG12 . . 4.630 3.401 3.159 3.536 . 0 0 "[ . 1 . 2]" 1
1509 1 55 PRO HD2 1 58 ILE HG13 . . 4.830 4.584 4.340 4.715 . 0 0 "[ . 1 . 2]" 1
1510 1 55 PRO HD2 1 58 ILE MG . . 4.540 4.102 3.939 4.278 . 0 0 "[ . 1 . 2]" 1
1511 1 55 PRO HD3 1 56 TYR H . . 5.500 5.542 5.528 5.558 0.058 17 0 "[ . 1 . 2]" 1
1512 1 55 PRO HD3 1 58 ILE MD . . 4.110 3.937 3.760 4.107 . 0 0 "[ . 1 . 2]" 1
1513 1 55 PRO HG2 1 58 ILE MD . . 4.190 2.435 2.324 2.559 . 0 0 "[ . 1 . 2]" 1
1514 1 55 PRO HG2 1 58 ILE MG . . 3.290 2.297 2.216 2.461 . 0 0 "[ . 1 . 2]" 1
1515 1 55 PRO HG2 2 3 VAL HA . . 4.860 4.688 4.439 4.824 . 0 0 "[ . 1 . 2]" 1
1516 1 55 PRO HG2 2 4 PRO HD2 . . 5.010 4.670 4.328 4.967 . 0 0 "[ . 1 . 2]" 1
1517 1 55 PRO HG3 1 58 ILE MD . . 4.350 3.241 3.108 3.381 . 0 0 "[ . 1 . 2]" 1
1518 1 55 PRO HG3 2 3 VAL HA . . 4.050 3.435 3.299 3.608 . 0 0 "[ . 1 . 2]" 1
1519 1 55 PRO HG3 2 4 PRO HD2 . . 4.380 4.029 3.740 4.278 . 0 0 "[ . 1 . 2]" 1
1520 1 56 TYR H 1 56 TYR HB2 . . 3.660 3.578 3.559 3.600 . 0 0 "[ . 1 . 2]" 1
1521 1 56 TYR H 1 56 TYR HB3 . . 3.300 2.316 2.297 2.345 . 0 0 "[ . 1 . 2]" 1
1522 1 56 TYR H 1 56 TYR QD . . 3.350 2.253 2.160 2.322 . 0 0 "[ . 1 . 2]" 1
1523 1 56 TYR H 1 56 TYR QE . . 5.000 4.619 4.540 4.690 . 0 0 "[ . 1 . 2]" 1
1524 1 56 TYR H 1 57 ASN H . . 3.950 2.856 2.772 2.904 . 0 0 "[ . 1 . 2]" 1
1525 1 56 TYR H 1 59 LEU QD . . 4.760 4.085 3.851 4.388 . 0 0 "[ . 1 . 2]" 1
1526 1 56 TYR H 1 59 LEU HG . . 5.500 4.923 4.740 5.065 . 0 0 "[ . 1 . 2]" 1
1527 1 56 TYR H 2 4 PRO QB . . 5.340 5.061 4.853 5.310 . 0 0 "[ . 1 . 2]" 1
1528 1 56 TYR HA 1 56 TYR QD . . 3.790 3.725 3.697 3.752 . 0 0 "[ . 1 . 2]" 1
1529 1 56 TYR HA 1 57 ASN HA . . 4.870 4.847 4.762 4.894 0.024 15 0 "[ . 1 . 2]" 1
1530 1 56 TYR HA 1 58 ILE H . . 4.670 4.012 3.895 4.136 . 0 0 "[ . 1 . 2]" 1
1531 1 56 TYR HA 1 58 ILE HG12 . . 4.720 4.735 4.619 4.776 0.056 1 0 "[ . 1 . 2]" 1
1532 1 56 TYR HA 1 59 LEU H . . 4.400 3.239 3.187 3.306 . 0 0 "[ . 1 . 2]" 1
1533 1 56 TYR HA 1 59 LEU HB2 . . 4.130 2.524 2.347 2.891 . 0 0 "[ . 1 . 2]" 1
1534 1 56 TYR HA 1 59 LEU HB3 . . 4.410 4.086 3.925 4.363 . 0 0 "[ . 1 . 2]" 1
1535 1 56 TYR HA 1 59 LEU QD . . 3.080 2.340 2.260 2.570 . 0 0 "[ . 1 . 2]" 1
1536 1 56 TYR HA 1 59 LEU HG . . 3.490 2.837 2.606 3.007 . 0 0 "[ . 1 . 2]" 1
1537 1 56 TYR HB2 1 57 ASN HA . . 5.250 5.097 4.958 5.260 0.010 15 0 "[ . 1 . 2]" 1
1538 1 56 TYR HB2 1 59 LEU QD . . 4.690 3.622 3.322 3.797 . 0 0 "[ . 1 . 2]" 1
1539 1 56 TYR HB3 1 59 LEU H . . 5.500 5.600 5.561 5.647 0.147 11 0 "[ . 1 . 2]" 1
1540 1 56 TYR HB3 1 59 LEU HB2 . . 5.300 4.744 4.581 4.969 . 0 0 "[ . 1 . 2]" 1
1541 1 56 TYR HB3 1 59 LEU QD . . 4.490 3.857 3.722 4.074 . 0 0 "[ . 1 . 2]" 1
1542 1 56 TYR QD 1 57 ASN H . . 3.890 2.583 2.369 3.030 . 0 0 "[ . 1 . 2]" 1
1543 1 56 TYR QD 1 57 ASN HA . . 4.250 4.129 4.072 4.228 . 0 0 "[ . 1 . 2]" 1
1544 1 56 TYR QD 1 57 ASN QB . . 5.290 3.589 3.377 3.950 . 0 0 "[ . 1 . 2]" 1
1545 1 56 TYR QD 2 4 PRO QB . . 4.180 3.550 3.301 3.721 . 0 0 "[ . 1 . 2]" 1
1546 1 56 TYR QD 2 4 PRO HD2 . . 4.500 4.392 4.191 4.566 0.066 13 0 "[ . 1 . 2]" 1
1547 1 56 TYR QE 1 57 ASN HA . . 4.510 4.432 4.243 4.532 0.022 11 0 "[ . 1 . 2]" 1
1548 1 56 TYR QE 1 57 ASN QB . . 3.880 3.592 3.329 3.880 . 16 0 "[ . 1 . 2]" 1
1549 1 56 TYR QE 2 4 PRO HA . . 4.700 4.780 4.619 4.844 0.144 4 0 "[ . 1 . 2]" 1
1550 1 56 TYR QE 2 4 PRO QB . . 2.790 2.375 2.239 2.475 . 0 0 "[ . 1 . 2]" 1
1551 1 57 ASN H 1 57 ASN HB2 . . 4.110 2.747 2.205 3.594 . 0 0 "[ . 1 . 2]" 1
1552 1 57 ASN H 1 57 ASN QB . . 3.410 2.197 2.105 2.334 . 0 0 "[ . 1 . 2]" 1
1553 1 57 ASN H 1 57 ASN HB3 . . 4.110 2.449 2.235 2.692 . 0 0 "[ . 1 . 2]" 1
1554 1 57 ASN H 1 58 ILE H . . 3.370 2.798 2.683 2.873 . 0 0 "[ . 1 . 2]" 1
1555 1 57 ASN H 1 58 ILE MG . . 4.740 4.237 4.105 4.334 . 0 0 "[ . 1 . 2]" 1
1556 1 57 ASN H 1 59 LEU H . . 4.560 4.038 3.905 4.132 . 0 0 "[ . 1 . 2]" 1
1557 1 57 ASN HA 1 59 LEU H . . 3.910 3.915 3.732 3.986 0.076 5 0 "[ . 1 . 2]" 1
1558 1 57 ASN QB 1 58 ILE MG . . 4.130 3.315 2.814 4.072 . 0 0 "[ . 1 . 2]" 1
1559 1 57 ASN QB 2 4 PRO HD2 . . 5.340 3.986 3.500 4.457 . 0 0 "[ . 1 . 2]" 1
1560 1 57 ASN QD 1 58 ILE MG . . 4.870 3.325 2.080 4.916 0.046 1 0 "[ . 1 . 2]" 1
1561 1 57 ASN QD 2 1 PRO QG . . 5.340 3.751 2.715 5.352 0.012 12 0 "[ . 1 . 2]" 1
1562 1 57 ASN QD 2 2 PRO HA . . 3.900 2.515 1.976 3.090 . 0 0 "[ . 1 . 2]" 1
1563 1 57 ASN QD 2 2 PRO QB . . 4.200 3.698 2.201 4.254 0.054 17 0 "[ . 1 . 2]" 1
1564 1 57 ASN QD 2 2 PRO QD . . 5.180 4.348 3.706 4.993 . 0 0 "[ . 1 . 2]" 1
1565 1 57 ASN QD 2 4 PRO HD2 . . 5.340 5.248 3.604 5.410 0.070 2 0 "[ . 1 . 2]" 1
1566 1 57 ASN QD 2 4 PRO QG . . 5.340 4.819 3.661 5.382 0.042 19 0 "[ . 1 . 2]" 1
1567 1 58 ILE H 1 58 ILE HB . . 4.020 3.771 3.738 3.792 . 0 0 "[ . 1 . 2]" 1
1568 1 58 ILE H 1 58 ILE MD . . 3.830 3.843 3.817 3.877 0.047 11 0 "[ . 1 . 2]" 1
1569 1 58 ILE H 1 58 ILE HG12 . . 3.020 2.400 2.351 2.431 . 0 0 "[ . 1 . 2]" 1
1570 1 58 ILE H 1 58 ILE HG13 . . 3.600 3.592 3.516 3.620 0.020 16 0 "[ . 1 . 2]" 1
1571 1 58 ILE H 1 58 ILE MG . . 3.280 2.373 2.267 2.479 . 0 0 "[ . 1 . 2]" 1
1572 1 58 ILE H 1 59 LEU H . . 2.800 2.493 2.424 2.560 . 0 0 "[ . 1 . 2]" 1
1573 1 58 ILE H 1 59 LEU HB2 . . 4.590 4.609 4.552 4.639 0.049 9 0 "[ . 1 . 2]" 1
1574 1 58 ILE H 1 59 LEU QD . . 4.740 4.225 4.107 4.360 . 0 0 "[ . 1 . 2]" 1
1575 1 58 ILE H 1 59 LEU HG . . 3.860 3.692 3.550 3.862 0.002 17 0 "[ . 1 . 2]" 1
1576 1 58 ILE HA 1 58 ILE MD . . 4.220 4.222 4.210 4.231 0.011 4 0 "[ . 1 . 2]" 1
1577 1 58 ILE HA 1 58 ILE MG . . 3.050 2.429 2.410 2.444 . 0 0 "[ . 1 . 2]" 1
1578 1 58 ILE HB 1 58 ILE MD . . 3.150 2.496 2.472 2.509 . 0 0 "[ . 1 . 2]" 1
1579 1 58 ILE HB 1 59 LEU H . . 4.670 4.498 4.442 4.536 . 0 0 "[ . 1 . 2]" 1
1580 1 58 ILE HB 1 59 LEU QD . . 4.520 4.381 4.270 4.527 0.007 1 0 "[ . 1 . 2]" 1
1581 1 58 ILE HB 1 59 LEU HG . . 5.250 5.221 5.088 5.308 0.058 11 0 "[ . 1 . 2]" 1
1582 1 58 ILE MD 1 59 LEU H . . 5.500 4.864 4.751 4.971 . 0 0 "[ . 1 . 2]" 1
1583 1 58 ILE HG12 1 58 ILE MG . . 3.500 2.512 2.476 2.560 . 0 0 "[ . 1 . 2]" 1
1584 1 58 ILE HG12 1 59 LEU H . . 3.830 3.483 3.312 3.639 . 0 0 "[ . 1 . 2]" 1
1585 1 58 ILE HG13 1 58 ILE MG . . 3.220 3.254 3.242 3.261 0.041 1 0 "[ . 1 . 2]" 1
1586 1 58 ILE HG13 1 59 LEU H . . 4.230 3.732 3.619 3.856 . 0 0 "[ . 1 . 2]" 1
1587 1 58 ILE MG 1 59 LEU H . . 4.400 4.209 4.120 4.260 . 0 0 "[ . 1 . 2]" 1
1588 1 58 ILE MG 2 2 PRO HA . . 4.170 3.581 2.614 4.207 0.037 19 0 "[ . 1 . 2]" 1
1589 1 59 LEU H 1 59 LEU HB2 . . 3.040 2.480 2.431 2.536 . 0 0 "[ . 1 . 2]" 1
1590 1 59 LEU H 1 59 LEU QD . . 3.620 3.297 3.168 3.408 . 0 0 "[ . 1 . 2]" 1
1591 1 59 LEU H 1 59 LEU HG . . 3.070 2.668 2.467 2.883 . 0 0 "[ . 1 . 2]" 1
1592 1 59 LEU H 1 60 THR H . . 4.650 4.507 4.390 4.611 . 0 0 "[ . 1 . 2]" 1
1593 1 59 LEU HA 1 59 LEU QD . . 3.070 2.142 2.100 2.187 . 0 0 "[ . 1 . 2]" 1
1594 1 59 LEU HA 1 60 THR H . . 2.990 2.165 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
1595 1 59 LEU HA 1 60 THR MG . . 4.580 3.869 3.489 4.063 . 0 0 "[ . 1 . 2]" 1
1596 1 59 LEU HB2 1 59 LEU QD . . 3.150 2.312 2.213 2.362 . 0 0 "[ . 1 . 2]" 1
1597 1 59 LEU HB2 1 60 THR H . . 4.580 4.217 4.070 4.370 . 0 0 "[ . 1 . 2]" 1
1598 1 59 LEU HB2 1 60 THR HA . . 5.220 4.778 4.606 4.886 . 0 0 "[ . 1 . 2]" 1
1599 1 59 LEU HB3 1 59 LEU QD . . 3.200 2.120 2.088 2.176 . 0 0 "[ . 1 . 2]" 1
1600 1 59 LEU HB3 1 60 THR H . . 3.930 3.300 3.038 3.613 . 0 0 "[ . 1 . 2]" 1
1601 1 59 LEU HB3 1 60 THR HA . . 5.340 4.544 4.279 4.721 . 0 0 "[ . 1 . 2]" 1
1602 1 59 LEU QD 1 60 THR H . . 3.890 3.641 3.426 3.787 . 0 0 "[ . 1 . 2]" 1
1603 1 59 LEU QD 1 60 THR HA . . 5.270 5.244 5.087 5.330 0.060 10 0 "[ . 1 . 2]" 1
1604 1 60 THR H 1 60 THR HB . . 3.970 3.172 3.061 3.371 . 0 0 "[ . 1 . 2]" 1
1605 1 60 THR H 1 60 THR MG . . 3.730 2.331 2.196 2.478 . 0 0 "[ . 1 . 2]" 1
1606 1 60 THR H 1 61 PRO HD3 . . 5.060 4.967 4.889 5.054 . 0 0 "[ . 1 . 2]" 1
1607 1 60 THR HA 1 60 THR MG . . 3.300 3.260 3.230 3.285 . 0 0 "[ . 1 . 2]" 1
1608 1 60 THR HA 1 61 PRO HD2 . . 3.170 2.293 2.226 2.341 . 0 0 "[ . 1 . 2]" 1
1609 1 60 THR HA 1 61 PRO HD3 . . 2.850 2.436 2.381 2.499 . 0 0 "[ . 1 . 2]" 1
1610 1 60 THR HA 1 61 PRO HG2 . . 4.580 4.478 4.430 4.511 . 0 0 "[ . 1 . 2]" 1
1611 1 60 THR HA 1 61 PRO HG3 . . 4.580 4.560 4.534 4.603 0.023 19 0 "[ . 1 . 2]" 1
1612 1 60 THR HB 1 61 PRO HD2 . . 3.870 3.696 3.468 3.844 . 0 0 "[ . 1 . 2]" 1
1613 1 60 THR MG 1 61 PRO HD2 . . 3.870 3.923 3.883 3.961 0.091 19 0 "[ . 1 . 2]" 1
1614 1 60 THR MG 1 61 PRO HD3 . . 4.840 4.776 4.740 4.854 0.014 19 0 "[ . 1 . 2]" 1
1615 1 61 PRO HA 1 62 TYR H . . 2.720 2.171 2.130 2.210 . 0 0 "[ . 1 . 2]" 1
1616 1 61 PRO QB 1 62 TYR H . . 3.800 3.606 3.159 3.716 . 0 0 "[ . 1 . 2]" 1
1617 1 61 PRO HB2 1 62 TYR H . . 4.450 3.911 3.353 4.041 . 0 0 "[ . 1 . 2]" 1
1618 1 61 PRO HB3 1 62 TYR H . . 4.450 4.229 3.858 4.338 . 0 0 "[ . 1 . 2]" 1
1619 1 62 TYR H 1 62 TYR HB2 . . 3.630 2.365 2.201 2.854 . 0 0 "[ . 1 . 2]" 1
1620 1 62 TYR H 1 62 TYR HB3 . . 3.370 2.711 2.590 2.791 . 0 0 "[ . 1 . 2]" 1
1621 1 62 TYR H 1 62 TYR QD . . 4.760 4.133 3.958 4.368 . 0 0 "[ . 1 . 2]" 1
1622 1 62 TYR HA 1 62 TYR QD . . 3.770 2.515 2.222 3.174 . 0 0 "[ . 1 . 2]" 1
1623 1 62 TYR QD 1 63 PRO HD2 . . 4.820 2.978 2.774 3.434 . 0 0 "[ . 1 . 2]" 1
1624 1 62 TYR QD 1 63 PRO QD . . 4.040 2.881 2.685 3.331 . 0 0 "[ . 1 . 2]" 1
1625 1 62 TYR QD 1 63 PRO HD3 . . 4.820 3.848 3.500 4.667 . 0 0 "[ . 1 . 2]" 1
1626 1 62 TYR QD 1 64 GLY H . . 4.210 2.734 2.031 3.891 . 0 0 "[ . 1 . 2]" 1
1627 1 62 TYR QD 1 64 GLY QA . . 4.060 3.062 2.729 4.089 0.029 19 0 "[ . 1 . 2]" 1
1628 1 62 TYR QE 1 64 GLY QA . . 3.910 3.396 2.476 3.823 . 0 0 "[ . 1 . 2]" 1
1629 1 63 PRO QD 1 64 GLY H . . 3.870 2.745 2.629 3.033 . 0 0 "[ . 1 . 2]" 1
1630 1 63 PRO HG2 1 64 GLY H . . 4.380 2.683 2.241 3.232 . 0 0 "[ . 1 . 2]" 1
1631 1 63 PRO HG2 1 64 GLY QA . . 4.730 4.145 3.711 4.342 . 0 0 "[ . 1 . 2]" 1
1632 1 63 PRO HG3 1 64 GLY H . . 4.570 4.181 3.828 4.631 0.061 11 0 "[ . 1 . 2]" 1
1633 2 3 VAL HA 2 3 VAL MG1 . . 3.710 2.484 2.253 2.692 . 0 0 "[ . 1 . 2]" 1
1634 2 3 VAL HA 2 3 VAL MG2 . . 3.710 2.490 2.218 3.271 . 0 0 "[ . 1 . 2]" 1
1635 2 3 VAL HA 2 4 PRO HD2 . . 2.880 2.113 1.976 2.359 . 0 0 "[ . 1 . 2]" 1
1636 2 3 VAL QG 2 4 PRO HD2 . . 4.450 3.391 3.074 3.599 . 0 0 "[ . 1 . 2]" 1
1637 2 3 VAL MG1 2 4 PRO HD2 . . 5.070 3.678 3.179 4.001 . 0 0 "[ . 1 . 2]" 1
1638 2 3 VAL MG2 2 4 PRO HD2 . . 5.070 4.014 3.666 4.114 . 0 0 "[ . 1 . 2]" 1
1639 2 5 ASN HA 2 6 PRO QD . . 3.350 2.165 2.102 2.298 . 0 0 "[ . 1 . 2]" 1
1640 2 5 ASN QB 2 6 PRO QD . . 3.980 2.515 2.194 3.473 . 0 0 "[ . 1 . 2]" 1
1641 2 9 GLU HA 2 9 GLU QG . . 3.710 2.598 2.270 3.387 . 0 0 "[ . 1 . 2]" 1
1642 2 9 GLU HA 2 10 PRO HD2 . . 3.330 2.267 2.181 2.436 . 0 0 "[ . 1 . 2]" 1
1643 2 9 GLU HA 2 10 PRO QD . . 2.860 2.197 2.114 2.283 . 0 0 "[ . 1 . 2]" 1
1644 2 9 GLU HA 2 10 PRO HD3 . . 3.330 3.062 2.368 3.244 . 0 0 "[ . 1 . 2]" 1
1645 2 9 GLU QG 2 10 PRO QD . . 5.120 4.032 3.653 4.520 . 0 0 "[ . 1 . 2]" 1
1646 2 10 PRO QG 2 11 ILE H . . 4.830 4.041 3.854 4.245 . 0 0 "[ . 1 . 2]" 1
1647 2 11 ILE H 2 11 ILE HB . . 3.690 2.791 2.524 2.989 . 0 0 "[ . 1 . 2]" 1
1648 2 11 ILE H 2 11 ILE HG12 . . 4.640 3.098 1.995 3.666 . 0 0 "[ . 1 . 2]" 1
1649 2 11 ILE H 2 11 ILE HG13 . . 4.640 2.799 2.181 3.606 . 0 0 "[ . 1 . 2]" 1
1650 2 11 ILE H 2 11 ILE MG . . 4.380 3.915 3.786 4.003 . 0 0 "[ . 1 . 2]" 1
1651 2 11 ILE H 2 12 ARG H . . 4.060 2.731 1.990 4.193 0.133 9 0 "[ . 1 . 2]" 1
1652 2 11 ILE HA 2 11 ILE MG . . 3.520 2.342 2.268 2.424 . 0 0 "[ . 1 . 2]" 1
1653 2 11 ILE HA 2 12 ARG H . . 3.070 2.920 2.105 3.247 0.177 18 0 "[ . 1 . 2]" 1
1654 2 11 ILE MG 2 12 ARG H . . 4.180 4.062 2.540 4.307 0.127 20 0 "[ . 1 . 2]" 1
1655 2 12 ARG H 2 12 ARG QG . . 4.390 3.393 2.591 4.414 0.024 13 0 "[ . 1 . 2]" 1
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