NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635246 |
6ffu   |
34229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ffu
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 1382
_Distance_constraint_stats_list.Viol_count 2978
_Distance_constraint_stats_list.Viol_total 2591.583
_Distance_constraint_stats_list.Viol_max 0.908
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0435
_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 2 GLY 0.281 0.133 10 0 "[ . 1 . 2]"
1 3 GLU 1.252 0.133 10 0 "[ . 1 . 2]"
1 4 TYR 2.333 0.110 6 0 "[ . 1 . 2]"
1 5 THR 1.709 0.104 11 0 "[ . 1 . 2]"
1 6 GLU 0.920 0.068 20 0 "[ . 1 . 2]"
1 7 ILE 4.251 0.090 7 0 "[ . 1 . 2]"
1 8 ALA 4.054 0.314 19 0 "[ . 1 . 2]"
1 9 LEU 9.198 0.671 4 2 "[ +. 1 . -]"
1 10 PRO 0.360 0.099 20 0 "[ . 1 . 2]"
1 11 PHE 6.304 0.671 4 2 "[ +. 1 . -]"
1 12 SER 1.493 0.058 5 0 "[ . 1 . 2]"
1 13 TYR 4.062 0.087 10 0 "[ . 1 . 2]"
1 14 ASP 0.232 0.052 19 0 "[ . 1 . 2]"
1 15 GLY 2.839 0.149 9 0 "[ . 1 . 2]"
1 16 ALA 7.173 0.152 15 0 "[ . 1 . 2]"
1 17 GLY 2.366 0.152 15 0 "[ . 1 . 2]"
1 18 GLU 1.635 0.099 4 0 "[ . 1 . 2]"
1 19 TYR 1.722 0.090 10 0 "[ . 1 . 2]"
1 20 TYR 1.702 0.077 17 0 "[ . 1 . 2]"
1 21 TRP 0.330 0.036 10 0 "[ . 1 . 2]"
1 22 LYS 2.920 0.108 9 0 "[ . 1 . 2]"
1 23 THR 1.926 0.080 14 0 "[ . 1 . 2]"
1 24 ASP 1.802 0.083 18 0 "[ . 1 . 2]"
1 25 GLN 4.732 0.165 10 0 "[ . 1 . 2]"
1 26 PHE 3.233 0.165 10 0 "[ . 1 . 2]"
1 27 SER 0.302 0.062 5 0 "[ . 1 . 2]"
1 28 THR 0.213 0.069 13 0 "[ . 1 . 2]"
1 29 ASP 1.352 0.175 6 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 1.690 0.122 11 0 "[ . 1 . 2]"
1 32 ASP 0.997 0.122 11 0 "[ . 1 . 2]"
1 33 TRP 0.253 0.057 9 0 "[ . 1 . 2]"
1 34 SER 0.071 0.026 13 0 "[ . 1 . 2]"
1 35 ARG 0.286 0.065 14 0 "[ . 1 . 2]"
1 36 TYR 0.219 0.047 16 0 "[ . 1 . 2]"
1 37 VAL 6.985 0.540 17 2 "[ . 1 .-+ 2]"
1 38 ASN 1.086 0.130 4 0 "[ . 1 . 2]"
1 39 SER 1.425 0.081 3 0 "[ . 1 . 2]"
1 40 TRP 2.331 0.125 14 0 "[ . 1 . 2]"
1 41 ASN 5.319 0.125 14 0 "[ . 1 . 2]"
1 42 LEU 7.718 0.133 10 0 "[ . 1 . 2]"
1 43 ASP 0.480 0.052 7 0 "[ . 1 . 2]"
1 44 LEU 22.680 0.908 7 10 "[ . +* 1* * *****-]"
1 45 LEU 3.499 0.130 17 0 "[ . 1 . 2]"
1 46 GLU 7.173 0.248 4 0 "[ . 1 . 2]"
1 47 ILE 2.245 0.095 13 0 "[ . 1 . 2]"
1 48 ASN 2.985 0.095 13 0 "[ . 1 . 2]"
1 49 GLY 2.965 0.108 18 0 "[ . 1 . 2]"
1 50 THR 3.650 0.119 15 0 "[ . 1 . 2]"
1 51 ASP 6.107 0.631 7 1 "[ . + 1 . 2]"
1 52 TYR 8.851 0.908 7 7 "[ . +* 1* - ** *2]"
1 53 THR 6.310 0.858 7 7 "[ . +* 1* - ** *2]"
1 54 ASN 1.896 0.130 17 0 "[ . 1 . 2]"
1 55 VAL 2.806 0.112 17 0 "[ . 1 . 2]"
1 56 TRP 0.927 0.069 5 0 "[ . 1 . 2]"
1 57 VAL 1.522 0.089 14 0 "[ . 1 . 2]"
1 58 ALA 8.244 0.540 17 2 "[ . 1 .-+ 2]"
1 59 GLN 2.520 0.129 5 0 "[ . 1 . 2]"
1 60 HIS 0.307 0.069 13 0 "[ . 1 . 2]"
1 61 GLN 2.912 0.173 9 0 "[ . 1 . 2]"
1 62 ILE 2.793 0.104 17 0 "[ . 1 . 2]"
1 63 PRO 1.280 0.104 17 0 "[ . 1 . 2]"
1 64 ALA 0.330 0.036 17 0 "[ . 1 . 2]"
1 65 ALA 2.705 0.152 16 0 "[ . 1 . 2]"
1 66 SER 0.796 0.071 4 0 "[ . 1 . 2]"
1 67 ASP 0.223 0.037 16 0 "[ . 1 . 2]"
1 68 GLY 1.510 0.098 6 0 "[ . 1 . 2]"
1 69 TYR 4.040 0.152 16 0 "[ . 1 . 2]"
1 70 TRP 1.561 0.086 10 0 "[ . 1 . 2]"
1 71 TYR 2.730 0.170 11 0 "[ . 1 . 2]"
1 72 ILE 2.922 0.060 10 0 "[ . 1 . 2]"
1 73 HIS 3.233 0.114 13 0 "[ . 1 . 2]"
1 74 TYR 1.633 0.084 3 0 "[ . 1 . 2]"
1 75 LYS 9.035 0.582 18 3 "[ . 1 . *+ -]"
1 76 SER 1.583 0.099 4 0 "[ . 1 . 2]"
1 77 GLY 1.599 0.108 11 0 "[ . 1 . 2]"
1 78 VAL 2.510 0.104 20 0 "[ . 1 . 2]"
1 79 SER 0.368 0.070 9 0 "[ . 1 . 2]"
1 80 TRP 2.146 0.159 2 0 "[ . 1 . 2]"
1 81 GLY 3.347 0.159 2 0 "[ . 1 . 2]"
1 82 HIS 0.963 0.070 12 0 "[ . 1 . 2]"
1 83 VAL 3.780 0.133 10 0 "[ . 1 . 2]"
1 84 GLU 2.390 0.089 12 0 "[ . 1 . 2]"
1 85 ILE 5.045 0.130 4 0 "[ . 1 . 2]"
1 86 LYS 1.509 0.088 10 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 2 GLY QA 1 3 GLU H . . 3.150 2.508 2.148 3.023 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 3 GLU HB2 . . 5.500 4.556 3.926 5.337 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 3 GLU HB3 . . 5.500 4.752 4.189 5.633 0.133 10 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 4 TYR H . . 4.140 3.705 2.853 4.214 0.074 12 0 "[ . 1 . 2]" 1
5 1 3 GLU H 1 4 TYR HB3 . . 5.370 5.226 4.758 5.480 0.110 6 0 "[ . 1 . 2]" 1
6 1 3 GLU HA 1 3 GLU QG . . 3.710 2.650 2.159 3.407 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU HA 1 4 TYR H . . 2.760 2.261 2.108 2.679 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU HA 1 4 TYR HB3 . . 5.420 4.936 4.466 5.477 0.057 11 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 4 TYR QD . . 4.560 4.479 4.208 4.595 0.035 15 0 "[ . 1 . 2]" 1
10 1 3 GLU QB 1 4 TYR H . . 4.370 3.815 2.926 4.084 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HB2 1 4 TYR H . . 5.170 4.341 3.000 4.645 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU HB3 1 4 TYR H . . 5.170 4.301 3.151 4.579 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU HG2 1 4 TYR H . . 5.500 4.535 2.951 5.571 0.071 10 0 "[ . 1 . 2]" 1
14 1 3 GLU HG3 1 4 TYR H . . 5.500 4.294 3.020 5.516 0.016 11 0 "[ . 1 . 2]" 1
15 1 4 TYR H 1 4 TYR HB2 . . 3.650 3.611 3.532 3.678 0.028 5 0 "[ . 1 . 2]" 1
16 1 4 TYR H 1 4 TYR HB3 . . 3.110 2.942 2.731 3.137 0.027 5 0 "[ . 1 . 2]" 1
17 1 4 TYR H 1 4 TYR QD . . 3.260 2.888 2.729 3.086 . 0 0 "[ . 1 . 2]" 1
18 1 4 TYR H 1 4 TYR QE . . 4.830 4.073 3.764 4.432 . 0 0 "[ . 1 . 2]" 1
19 1 4 TYR H 1 5 THR H . . 4.830 4.604 4.398 4.696 . 0 0 "[ . 1 . 2]" 1
20 1 4 TYR H 1 20 TYR HB3 . . 5.030 4.232 3.308 5.051 0.021 3 0 "[ . 1 . 2]" 1
21 1 4 TYR HA 1 4 TYR QD . . 4.410 3.693 3.657 3.756 . 0 0 "[ . 1 . 2]" 1
22 1 4 TYR HA 1 5 THR H . . 2.660 2.097 1.914 2.275 . 0 0 "[ . 1 . 2]" 1
23 1 4 TYR HA 1 20 TYR HB3 . . 3.760 3.396 2.629 3.768 0.008 15 0 "[ . 1 . 2]" 1
24 1 4 TYR HA 1 21 TRP H . . 5.260 4.826 4.358 5.148 . 0 0 "[ . 1 . 2]" 1
25 1 4 TYR HA 1 21 TRP HA . . 4.380 3.117 2.647 3.504 . 0 0 "[ . 1 . 2]" 1
26 1 4 TYR HA 1 22 LYS HB3 . . 5.420 5.378 5.109 5.462 0.042 10 0 "[ . 1 . 2]" 1
27 1 4 TYR HB2 1 5 THR H . . 3.720 2.867 2.470 3.174 . 0 0 "[ . 1 . 2]" 1
28 1 4 TYR HB2 1 22 LYS H . . 3.880 2.975 2.638 3.507 . 0 0 "[ . 1 . 2]" 1
29 1 4 TYR HB2 1 22 LYS HB2 . . 4.680 4.489 4.206 4.695 0.015 2 0 "[ . 1 . 2]" 1
30 1 4 TYR HB2 1 22 LYS HB3 . . 4.380 2.879 2.564 3.032 . 0 0 "[ . 1 . 2]" 1
31 1 4 TYR HB2 1 22 LYS HG2 . . 3.810 2.752 2.329 3.290 . 0 0 "[ . 1 . 2]" 1
32 1 4 TYR HB3 1 5 THR H . . 4.080 3.551 3.374 3.732 . 0 0 "[ . 1 . 2]" 1
33 1 4 TYR QD 1 5 THR H . . 4.400 4.355 4.026 4.504 0.104 11 0 "[ . 1 . 2]" 1
34 1 4 TYR QD 1 5 THR HA . . 4.560 4.377 3.759 4.610 0.050 2 0 "[ . 1 . 2]" 1
35 1 4 TYR QD 1 20 TYR HB3 . . 4.420 3.593 2.214 4.468 0.048 3 0 "[ . 1 . 2]" 1
36 1 4 TYR QD 1 21 TRP HA . . 4.790 4.555 4.298 4.721 . 0 0 "[ . 1 . 2]" 1
37 1 4 TYR QD 1 22 LYS H . . 4.670 4.624 4.474 4.704 0.034 8 0 "[ . 1 . 2]" 1
38 1 4 TYR QD 1 22 LYS HA . . 5.260 4.901 4.417 5.170 . 0 0 "[ . 1 . 2]" 1
39 1 4 TYR QE 1 71 TYR HB3 . . 4.600 3.022 2.456 3.581 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR H 1 5 THR HB . . 3.650 2.691 2.515 2.894 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR H 1 5 THR MG . . 4.000 3.890 3.826 3.971 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR H 1 7 ILE MG . . 4.880 4.689 4.308 4.894 0.014 11 0 "[ . 1 . 2]" 1
43 1 5 THR H 1 21 TRP HA . . 3.210 2.484 2.122 2.775 . 0 0 "[ . 1 . 2]" 1
44 1 5 THR H 1 21 TRP HB3 . . 4.900 4.454 4.002 4.793 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR H 1 21 TRP HD1 . . 4.110 2.727 2.298 3.052 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR H 1 21 TRP HE1 . . 4.490 4.336 4.036 4.519 0.029 2 0 "[ . 1 . 2]" 1
47 1 5 THR H 1 22 LYS HG2 . . 4.420 4.028 3.680 4.433 0.013 1 0 "[ . 1 . 2]" 1
48 1 5 THR HA 1 5 THR MG . . 3.290 2.388 2.287 2.588 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR HA 1 6 GLU H . . 2.660 2.299 2.205 2.382 . 0 0 "[ . 1 . 2]" 1
50 1 5 THR HA 1 22 LYS H . . 4.640 4.652 4.503 4.709 0.069 19 0 "[ . 1 . 2]" 1
51 1 5 THR HB 1 6 GLU H . . 4.150 3.828 3.641 3.954 . 0 0 "[ . 1 . 2]" 1
52 1 5 THR HB 1 7 ILE MG . . 4.580 3.965 3.646 4.433 . 0 0 "[ . 1 . 2]" 1
53 1 5 THR HB 1 21 TRP HD1 . . 3.490 2.284 2.068 2.662 . 0 0 "[ . 1 . 2]" 1
54 1 5 THR HB 1 21 TRP HE1 . . 4.140 2.869 2.457 3.236 . 0 0 "[ . 1 . 2]" 1
55 1 5 THR MG 1 6 GLU H . . 3.300 2.263 2.184 2.357 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR MG 1 6 GLU HB3 . . 3.780 3.590 3.312 3.784 0.004 4 0 "[ . 1 . 2]" 1
57 1 5 THR MG 1 6 GLU QG . . 4.750 4.703 4.539 4.786 0.036 10 0 "[ . 1 . 2]" 1
58 1 5 THR MG 1 7 ILE MG . . 3.980 3.965 3.825 4.026 0.046 5 0 "[ . 1 . 2]" 1
59 1 5 THR MG 1 21 TRP HA . . 5.500 5.305 5.118 5.474 . 0 0 "[ . 1 . 2]" 1
60 1 5 THR MG 1 21 TRP HD1 . . 3.990 3.618 3.419 3.830 . 0 0 "[ . 1 . 2]" 1
61 1 5 THR MG 1 21 TRP HE1 . . 4.330 3.892 3.550 4.201 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLU H 1 6 GLU HB2 . . 2.970 2.629 2.479 2.893 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLU H 1 6 GLU HB3 . . 3.050 2.435 2.361 2.612 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU H 1 6 GLU QG . . 3.990 3.975 3.948 4.001 0.011 20 0 "[ . 1 . 2]" 1
65 1 6 GLU H 1 7 ILE H . . 4.850 4.585 4.483 4.673 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLU H 1 7 ILE MG . . 4.810 4.826 4.777 4.863 0.053 18 0 "[ . 1 . 2]" 1
67 1 6 GLU H 1 22 LYS HG3 . . 4.330 3.910 3.584 4.198 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLU HA 1 6 GLU QG . . 3.590 2.439 2.274 2.827 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLU HA 1 7 ILE H . . 2.680 2.130 2.070 2.219 . 0 0 "[ . 1 . 2]" 1
70 1 6 GLU HA 1 7 ILE MG . . 4.450 3.757 3.604 3.867 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLU HA 1 22 LYS H . . 3.610 3.133 2.759 3.390 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLU HA 1 22 LYS HG2 . . 3.590 3.292 2.825 3.525 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU HB2 1 7 ILE H . . 4.270 4.157 3.967 4.305 0.035 17 0 "[ . 1 . 2]" 1
74 1 6 GLU HB2 1 22 LYS H . . 5.500 5.233 4.989 5.451 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLU HB2 1 22 LYS HE2 . . 4.160 3.459 2.135 4.200 0.040 20 0 "[ . 1 . 2]" 1
76 1 6 GLU HB2 1 22 LYS HE3 . . 4.160 2.381 1.942 3.737 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU HB2 1 22 LYS HG3 . . 4.390 3.121 2.813 3.446 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLU HB3 1 7 ILE H . . 4.400 4.249 3.980 4.357 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU QG 1 7 ILE H . . 3.270 2.664 2.316 3.030 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLU QG 1 7 ILE HA . . 4.360 3.765 3.542 3.973 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU QG 1 7 ILE HG13 . . 4.540 4.469 4.187 4.608 0.068 20 0 "[ . 1 . 2]" 1
82 1 6 GLU QG 1 22 LYS HG3 . . 4.760 3.648 2.841 4.236 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLU QG 1 23 THR HA . . 4.080 2.925 2.567 3.583 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLU QG 1 24 ASP H . . 5.080 3.853 3.382 4.262 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE H 1 7 ILE HB . . 4.070 3.774 3.719 3.842 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE H 1 7 ILE MD . . 3.950 3.950 3.869 4.000 0.050 20 0 "[ . 1 . 2]" 1
87 1 7 ILE H 1 7 ILE HG12 . . 3.000 2.406 2.255 2.517 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE H 1 7 ILE HG13 . . 3.140 2.737 2.536 2.993 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE H 1 7 ILE MG . . 3.440 2.761 2.616 2.924 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE H 1 8 ALA MB . . 5.500 5.329 5.046 5.524 0.024 17 0 "[ . 1 . 2]" 1
91 1 7 ILE H 1 21 TRP HB3 . . 4.610 4.049 3.597 4.318 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE H 1 22 LYS H . . 4.370 3.602 3.373 3.938 . 0 0 "[ . 1 . 2]" 1
93 1 7 ILE H 1 22 LYS HB2 . . 5.500 5.525 5.475 5.590 0.090 7 0 "[ . 1 . 2]" 1
94 1 7 ILE H 1 23 THR HA . . 4.170 3.342 3.154 3.577 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE H 1 23 THR HB . . 3.770 3.410 3.060 3.777 0.007 3 0 "[ . 1 . 2]" 1
96 1 7 ILE HA 1 7 ILE MD . . 4.430 4.171 4.138 4.203 . 0 0 "[ . 1 . 2]" 1
97 1 7 ILE HA 1 7 ILE MG . . 3.080 2.338 2.276 2.383 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE HA 1 8 ALA H . . 2.750 2.393 2.222 2.620 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE HA 1 8 ALA MB . . 3.980 3.809 3.685 3.914 . 0 0 "[ . 1 . 2]" 1
100 1 7 ILE HB 1 7 ILE MD . . 3.280 2.328 2.276 2.388 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE HB 1 8 ALA H . . 2.900 2.256 2.082 2.423 . 0 0 "[ . 1 . 2]" 1
102 1 7 ILE HB 1 11 PHE HB2 . . 4.590 3.678 3.296 4.104 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE HB 1 11 PHE QD . . 4.210 2.589 2.325 2.905 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE MD 1 7 ILE MG . . 3.060 2.224 2.149 2.320 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE MD 1 8 ALA H . . 4.410 3.778 3.293 4.102 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE MD 1 9 LEU QD . . 3.330 2.801 2.304 3.063 . 0 0 "[ . 1 . 2]" 1
107 1 7 ILE MD 1 11 PHE H . . 5.040 4.990 4.635 5.066 0.026 20 0 "[ . 1 . 2]" 1
108 1 7 ILE MD 1 11 PHE HA . . 4.860 4.605 4.274 4.737 . 0 0 "[ . 1 . 2]" 1
109 1 7 ILE MD 1 11 PHE HB2 . . 4.040 2.674 2.299 2.823 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE MD 1 11 PHE HB3 . . 3.930 2.916 2.678 3.111 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE MD 1 11 PHE QD . . 3.930 2.802 2.590 2.958 . 0 0 "[ . 1 . 2]" 1
112 1 7 ILE MD 1 11 PHE QE . . 4.330 3.241 3.092 3.407 . 0 0 "[ . 1 . 2]" 1
113 1 7 ILE MD 1 21 TRP HB2 . . 4.610 3.379 3.104 3.734 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE MD 1 21 TRP HB3 . . 4.090 3.228 2.988 3.511 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE MD 1 22 LYS H . . 5.500 4.719 4.600 4.989 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE MD 1 23 THR HB . . 4.080 2.974 2.682 3.179 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE MD 1 23 THR MG . . 3.910 3.212 2.943 3.446 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE MD 1 72 ILE MD . . 3.600 2.385 2.197 2.732 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE MD 1 72 ILE HG13 . . 5.250 4.643 4.499 5.103 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE MD 1 85 ILE MD . . 3.500 2.811 2.437 3.039 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE MD 1 85 ILE MG . . 4.520 3.973 3.623 4.370 . 0 0 "[ . 1 . 2]" 1
122 1 7 ILE HG12 1 7 ILE MG . . 3.350 2.330 2.286 2.399 . 0 0 "[ . 1 . 2]" 1
123 1 7 ILE HG12 1 8 ALA H . . 4.650 4.699 4.547 4.738 0.088 13 0 "[ . 1 . 2]" 1
124 1 7 ILE HG12 1 21 TRP HB2 . . 4.460 3.930 3.549 4.228 . 0 0 "[ . 1 . 2]" 1
125 1 7 ILE HG12 1 21 TRP HB3 . . 3.910 2.757 2.474 2.987 . 0 0 "[ . 1 . 2]" 1
126 1 7 ILE HG12 1 22 LYS H . . 4.030 3.560 3.376 3.772 . 0 0 "[ . 1 . 2]" 1
127 1 7 ILE HG12 1 23 THR H . . 4.800 4.812 4.732 4.849 0.049 10 0 "[ . 1 . 2]" 1
128 1 7 ILE HG12 1 23 THR HA . . 4.480 4.236 3.910 4.365 . 0 0 "[ . 1 . 2]" 1
129 1 7 ILE HG12 1 23 THR HB . . 3.700 2.758 2.480 3.302 . 0 0 "[ . 1 . 2]" 1
130 1 7 ILE HG12 1 72 ILE MD . . 3.950 3.594 3.153 3.872 . 0 0 "[ . 1 . 2]" 1
131 1 7 ILE HG13 1 7 ILE MG . . 3.730 3.231 3.202 3.264 . 0 0 "[ . 1 . 2]" 1
132 1 7 ILE HG13 1 8 ALA H . . 4.030 3.649 3.434 3.730 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE HG13 1 11 PHE QD . . 4.720 4.615 4.469 4.748 0.028 20 0 "[ . 1 . 2]" 1
134 1 7 ILE HG13 1 21 TRP HB3 . . 5.000 4.476 4.205 4.674 . 0 0 "[ . 1 . 2]" 1
135 1 7 ILE HG13 1 23 THR HB . . 3.480 2.259 2.135 2.460 . 0 0 "[ . 1 . 2]" 1
136 1 7 ILE HG13 1 24 ASP H . . 5.500 5.418 4.894 5.533 0.033 7 0 "[ . 1 . 2]" 1
137 1 7 ILE MG 1 8 ALA H . . 3.630 3.604 3.538 3.659 0.029 20 0 "[ . 1 . 2]" 1
138 1 7 ILE MG 1 11 PHE QD . . 4.320 3.389 3.167 3.743 . 0 0 "[ . 1 . 2]" 1
139 1 7 ILE MG 1 11 PHE QE . . 4.000 2.500 2.326 2.787 . 0 0 "[ . 1 . 2]" 1
140 1 7 ILE MG 1 21 TRP HA . . 4.390 3.891 3.819 4.060 . 0 0 "[ . 1 . 2]" 1
141 1 7 ILE MG 1 21 TRP HB2 . . 4.270 3.115 2.871 3.304 . 0 0 "[ . 1 . 2]" 1
142 1 7 ILE MG 1 21 TRP HB3 . . 3.570 2.163 2.068 2.275 . 0 0 "[ . 1 . 2]" 1
143 1 7 ILE MG 1 21 TRP HD1 . . 3.600 2.572 2.363 2.851 . 0 0 "[ . 1 . 2]" 1
144 1 7 ILE MG 1 21 TRP HE1 . . 4.140 3.606 3.288 3.834 . 0 0 "[ . 1 . 2]" 1
145 1 7 ILE MG 1 22 LYS H . . 3.800 3.327 3.097 3.484 . 0 0 "[ . 1 . 2]" 1
146 1 7 ILE MG 1 23 THR HB . . 5.200 4.581 4.319 4.972 . 0 0 "[ . 1 . 2]" 1
147 1 7 ILE MG 1 72 ILE HB . . 5.410 5.414 5.309 5.452 0.042 9 0 "[ . 1 . 2]" 1
148 1 7 ILE MG 1 85 ILE MD . . 5.210 5.060 4.800 5.226 0.016 5 0 "[ . 1 . 2]" 1
149 1 8 ALA H 1 8 ALA MB . . 2.800 2.508 2.426 2.595 . 0 0 "[ . 1 . 2]" 1
150 1 8 ALA H 1 9 LEU QD . . 4.090 4.170 3.858 4.404 0.314 19 0 "[ . 1 . 2]" 1
151 1 8 ALA H 1 11 PHE HB2 . . 4.560 4.051 3.749 4.333 . 0 0 "[ . 1 . 2]" 1
152 1 8 ALA H 1 11 PHE QD . . 4.340 3.396 3.119 3.648 . 0 0 "[ . 1 . 2]" 1
153 1 8 ALA H 1 11 PHE QE . . 4.770 4.789 4.773 4.814 0.044 6 0 "[ . 1 . 2]" 1
154 1 8 ALA H 1 25 GLN HE22 . . 5.310 4.418 4.077 4.721 . 0 0 "[ . 1 . 2]" 1
155 1 8 ALA HA 1 9 LEU H . . 2.590 2.302 2.148 2.408 . 0 0 "[ . 1 . 2]" 1
156 1 8 ALA HA 1 9 LEU HG . . 5.130 3.494 2.983 5.182 0.052 20 0 "[ . 1 . 2]" 1
157 1 8 ALA HA 1 11 PHE HB2 . . 5.500 5.248 4.910 5.453 . 0 0 "[ . 1 . 2]" 1
158 1 8 ALA HA 1 25 GLN HE21 . . 4.310 3.462 3.169 3.888 . 0 0 "[ . 1 . 2]" 1
159 1 8 ALA MB 1 9 LEU H . . 2.970 2.737 2.527 2.992 0.022 7 0 "[ . 1 . 2]" 1
160 1 8 ALA MB 1 25 GLN HE21 . . 5.220 4.763 4.084 5.234 0.014 12 0 "[ . 1 . 2]" 1
161 1 8 ALA MB 1 25 GLN HE22 . . 4.560 3.576 2.780 4.136 . 0 0 "[ . 1 . 2]" 1
162 1 9 LEU H 1 9 LEU HB2 . . 3.740 2.775 2.697 2.943 . 0 0 "[ . 1 . 2]" 1
163 1 9 LEU H 1 9 LEU HB3 . . 3.890 3.737 3.687 3.788 . 0 0 "[ . 1 . 2]" 1
164 1 9 LEU H 1 9 LEU MD1 . . 3.990 3.778 2.672 4.000 0.010 10 0 "[ . 1 . 2]" 1
165 1 9 LEU H 1 9 LEU QD . . 3.440 2.971 1.959 3.194 . 0 0 "[ . 1 . 2]" 1
166 1 9 LEU H 1 9 LEU MD2 . . 3.990 3.110 2.015 3.368 . 0 0 "[ . 1 . 2]" 1
167 1 9 LEU H 1 9 LEU HG . . 4.060 2.433 2.166 4.072 0.012 20 0 "[ . 1 . 2]" 1
168 1 9 LEU H 1 25 GLN HB3 . . 4.500 4.264 4.051 4.521 0.021 12 0 "[ . 1 . 2]" 1
169 1 9 LEU H 1 25 GLN HE21 . . 4.840 4.313 3.503 4.840 . 0 0 "[ . 1 . 2]" 1
170 1 9 LEU H 1 25 GLN HE22 . . 5.500 4.011 2.763 4.603 . 0 0 "[ . 1 . 2]" 1
171 1 9 LEU HA 1 9 LEU QD . . 3.120 2.383 2.236 2.534 . 0 0 "[ . 1 . 2]" 1
172 1 9 LEU HA 1 9 LEU HG . . 4.240 3.452 3.345 3.780 . 0 0 "[ . 1 . 2]" 1
173 1 9 LEU HA 1 10 PRO HB3 . . 4.810 4.568 4.505 4.706 . 0 0 "[ . 1 . 2]" 1
174 1 9 LEU HA 1 11 PHE H . . 3.410 3.222 2.827 3.419 0.009 4 0 "[ . 1 . 2]" 1
175 1 9 LEU HA 1 11 PHE HB2 . . 3.920 3.016 2.786 3.230 . 0 0 "[ . 1 . 2]" 1
176 1 9 LEU HA 1 11 PHE HB3 . . 4.440 3.762 3.515 4.073 . 0 0 "[ . 1 . 2]" 1
177 1 9 LEU HB2 1 10 PRO HA . . 3.850 3.638 3.400 3.854 0.004 18 0 "[ . 1 . 2]" 1
178 1 9 LEU HB2 1 25 GLN HB3 . . 5.220 4.025 3.077 4.781 . 0 0 "[ . 1 . 2]" 1
179 1 9 LEU HB3 1 9 LEU QD . . 3.100 2.184 2.143 2.559 . 0 0 "[ . 1 . 2]" 1
180 1 9 LEU HB3 1 10 PRO HA . . 3.160 2.322 2.196 2.468 . 0 0 "[ . 1 . 2]" 1
181 1 9 LEU HB3 1 10 PRO HB2 . . 5.170 4.994 4.826 5.148 . 0 0 "[ . 1 . 2]" 1
182 1 9 LEU HB3 1 11 PHE H . . 4.070 3.980 3.698 4.106 0.036 19 0 "[ . 1 . 2]" 1
183 1 9 LEU HB3 1 86 LYS HA . . 4.360 4.068 3.494 4.388 0.028 19 0 "[ . 1 . 2]" 1
184 1 9 LEU QD 1 10 PRO HA . . 3.700 3.413 3.201 3.799 0.099 20 0 "[ . 1 . 2]" 1
185 1 9 LEU QD 1 11 PHE H . . 3.500 3.711 3.242 4.171 0.671 4 2 "[ +. 1 . -]" 1
186 1 9 LEU QD 1 11 PHE HB2 . . 3.520 3.015 2.600 3.465 . 0 0 "[ . 1 . 2]" 1
187 1 9 LEU QD 1 11 PHE HB3 . . 3.570 3.182 2.638 3.572 0.002 4 0 "[ . 1 . 2]" 1
188 1 9 LEU QD 1 23 THR MG . . 3.550 2.509 2.176 3.058 . 0 0 "[ . 1 . 2]" 1
189 1 9 LEU QD 1 24 ASP H . . 4.820 4.652 4.363 4.903 0.083 18 0 "[ . 1 . 2]" 1
190 1 9 LEU QD 1 25 GLN H . . 4.010 3.518 3.215 3.778 . 0 0 "[ . 1 . 2]" 1
191 1 9 LEU QD 1 25 GLN HB2 . . 3.750 2.363 1.970 2.627 . 0 0 "[ . 1 . 2]" 1
192 1 9 LEU QD 1 25 GLN HB3 . . 3.780 2.630 2.245 3.037 . 0 0 "[ . 1 . 2]" 1
193 1 9 LEU QD 1 25 GLN HG2 . . 4.820 4.234 3.685 4.564 . 0 0 "[ . 1 . 2]" 1
194 1 9 LEU QD 1 26 PHE H . . 4.030 3.068 2.845 3.341 . 0 0 "[ . 1 . 2]" 1
195 1 9 LEU QD 1 26 PHE HA . . 3.710 2.715 2.364 3.015 . 0 0 "[ . 1 . 2]" 1
196 1 9 LEU QD 1 26 PHE QD . . 3.710 2.274 2.067 2.696 . 0 0 "[ . 1 . 2]" 1
197 1 9 LEU QD 1 27 SER H . . 4.210 3.851 3.670 4.208 . 0 0 "[ . 1 . 2]" 1
198 1 9 LEU QD 1 59 GLN QB . . 5.250 4.397 4.043 4.790 . 0 0 "[ . 1 . 2]" 1
199 1 9 LEU MD1 1 24 ASP H . . 5.500 5.322 4.824 5.548 0.048 19 0 "[ . 1 . 2]" 1
200 1 9 LEU MD1 1 25 GLN HB3 . . 4.770 2.754 2.395 4.278 . 0 0 "[ . 1 . 2]" 1
201 1 9 LEU MD1 1 25 GLN HG2 . . 5.500 4.507 4.145 5.471 . 0 0 "[ . 1 . 2]" 1
202 1 9 LEU MD1 1 25 GLN HG3 . . 5.500 4.801 4.562 5.547 0.047 20 0 "[ . 1 . 2]" 1
203 1 9 LEU MD2 1 24 ASP H . . 5.500 5.148 4.804 5.537 0.037 18 0 "[ . 1 . 2]" 1
204 1 9 LEU MD2 1 25 GLN HB3 . . 4.770 4.268 2.253 4.691 . 0 0 "[ . 1 . 2]" 1
205 1 9 LEU MD2 1 25 GLN HG2 . . 5.500 5.364 3.745 5.588 0.088 10 0 "[ . 1 . 2]" 1
206 1 9 LEU MD2 1 25 GLN HG3 . . 5.500 5.467 4.188 5.570 0.070 6 0 "[ . 1 . 2]" 1
207 1 9 LEU HG 1 25 GLN HB3 . . 4.850 3.163 2.823 4.884 0.034 20 0 "[ . 1 . 2]" 1
208 1 10 PRO HA 1 11 PHE H . . 2.750 2.262 2.192 2.313 . 0 0 "[ . 1 . 2]" 1
209 1 10 PRO HA 1 86 LYS HA . . 3.770 3.042 2.754 3.413 . 0 0 "[ . 1 . 2]" 1
210 1 10 PRO HB2 1 11 PHE H . . 3.710 2.969 2.763 3.335 . 0 0 "[ . 1 . 2]" 1
211 1 10 PRO HB2 1 86 LYS HA . . 4.050 3.451 3.128 3.931 . 0 0 "[ . 1 . 2]" 1
212 1 10 PRO HB2 1 86 LYS QD . . 4.170 3.306 2.596 4.131 . 0 0 "[ . 1 . 2]" 1
213 1 10 PRO HB2 1 86 LYS QE . . 4.640 3.884 3.099 4.652 0.012 16 0 "[ . 1 . 2]" 1
214 1 10 PRO HB3 1 11 PHE H . . 4.110 3.708 3.591 3.937 . 0 0 "[ . 1 . 2]" 1
215 1 10 PRO HB3 1 86 LYS HA . . 3.960 2.492 2.195 2.857 . 0 0 "[ . 1 . 2]" 1
216 1 10 PRO HB3 1 86 LYS HB2 . . 5.500 5.314 4.995 5.543 0.043 12 0 "[ . 1 . 2]" 1
217 1 10 PRO HG2 1 11 PHE H . . 4.820 4.593 4.457 4.804 . 0 0 "[ . 1 . 2]" 1
218 1 10 PRO HG3 1 86 LYS QE . . 4.670 4.302 3.416 4.710 0.040 4 0 "[ . 1 . 2]" 1
219 1 11 PHE H 1 11 PHE HB2 . . 3.470 3.180 2.982 3.308 . 0 0 "[ . 1 . 2]" 1
220 1 11 PHE H 1 11 PHE HB3 . . 3.150 2.571 2.482 2.642 . 0 0 "[ . 1 . 2]" 1
221 1 11 PHE H 1 11 PHE QD . . 4.360 4.200 4.129 4.272 . 0 0 "[ . 1 . 2]" 1
222 1 11 PHE H 1 12 SER H . . 4.670 4.569 4.515 4.665 . 0 0 "[ . 1 . 2]" 1
223 1 11 PHE H 1 85 ILE H . . 3.690 3.043 2.889 3.180 . 0 0 "[ . 1 . 2]" 1
224 1 11 PHE H 1 85 ILE HB . . 3.680 3.048 2.869 3.179 . 0 0 "[ . 1 . 2]" 1
225 1 11 PHE H 1 85 ILE MD . . 4.790 4.771 4.459 4.822 0.032 7 0 "[ . 1 . 2]" 1
226 1 11 PHE H 1 85 ILE QG . . 4.880 4.531 4.095 4.904 0.024 4 0 "[ . 1 . 2]" 1
227 1 11 PHE H 1 86 LYS H . . 5.500 4.919 4.790 5.035 . 0 0 "[ . 1 . 2]" 1
228 1 11 PHE H 1 86 LYS HA . . 4.080 3.889 3.690 4.085 0.005 13 0 "[ . 1 . 2]" 1
229 1 11 PHE H 1 86 LYS QD . . 5.130 4.456 3.816 5.148 0.018 12 0 "[ . 1 . 2]" 1
230 1 11 PHE HA 1 11 PHE QD . . 3.420 3.026 2.722 3.219 . 0 0 "[ . 1 . 2]" 1
231 1 11 PHE HA 1 12 SER H . . 2.650 2.320 2.209 2.422 . 0 0 "[ . 1 . 2]" 1
232 1 11 PHE HB2 1 85 ILE HB . . 4.310 3.983 3.843 4.175 . 0 0 "[ . 1 . 2]" 1
233 1 11 PHE HB3 1 12 SER H . . 4.000 3.967 3.832 4.047 0.047 6 0 "[ . 1 . 2]" 1
234 1 11 PHE HB3 1 85 ILE H . . 3.830 3.751 3.563 3.844 0.014 3 0 "[ . 1 . 2]" 1
235 1 11 PHE HB3 1 85 ILE HB . . 3.610 2.342 2.220 2.569 . 0 0 "[ . 1 . 2]" 1
236 1 11 PHE HB3 1 85 ILE MD . . 4.270 3.028 2.588 3.195 . 0 0 "[ . 1 . 2]" 1
237 1 11 PHE QD 1 12 SER H . . 3.590 3.163 2.925 3.290 . 0 0 "[ . 1 . 2]" 1
238 1 11 PHE QD 1 85 ILE HA . . 5.500 5.395 5.115 5.541 0.041 6 0 "[ . 1 . 2]" 1
239 1 11 PHE QD 1 85 ILE MD . . 3.450 2.498 2.382 2.679 . 0 0 "[ . 1 . 2]" 1
240 1 11 PHE QD 1 85 ILE QG . . 4.330 2.587 2.206 3.312 . 0 0 "[ . 1 . 2]" 1
241 1 11 PHE QE 1 12 SER H . . 4.630 3.984 3.647 4.198 . 0 0 "[ . 1 . 2]" 1
242 1 11 PHE QE 1 13 TYR H . . 4.940 4.358 4.096 4.685 . 0 0 "[ . 1 . 2]" 1
243 1 11 PHE QE 1 13 TYR HB2 . . 4.180 3.089 2.835 3.395 . 0 0 "[ . 1 . 2]" 1
244 1 11 PHE QE 1 13 TYR HB3 . . 4.650 2.618 2.383 3.037 . 0 0 "[ . 1 . 2]" 1
245 1 11 PHE QE 1 21 TRP HE1 . . 5.500 5.273 4.770 5.519 0.019 10 0 "[ . 1 . 2]" 1
246 1 11 PHE QE 1 83 VAL MG1 . . 3.940 3.477 2.939 3.868 . 0 0 "[ . 1 . 2]" 1
247 1 12 SER H 1 12 SER QB . . 3.230 3.213 2.829 3.285 0.055 7 0 "[ . 1 . 2]" 1
248 1 12 SER H 1 13 TYR H . . 4.640 4.330 4.278 4.375 . 0 0 "[ . 1 . 2]" 1
249 1 12 SER H 1 13 TYR HA . . 4.940 4.940 4.877 4.985 0.045 12 0 "[ . 1 . 2]" 1
250 1 12 SER H 1 83 VAL MG1 . . 5.470 5.468 5.197 5.528 0.058 5 0 "[ . 1 . 2]" 1
251 1 12 SER H 1 85 ILE H . . 5.060 4.910 4.852 4.986 . 0 0 "[ . 1 . 2]" 1
252 1 12 SER HA 1 13 TYR H . . 2.820 2.212 2.153 2.276 . 0 0 "[ . 1 . 2]" 1
253 1 12 SER HA 1 13 TYR HA . . 4.740 4.485 4.447 4.523 . 0 0 "[ . 1 . 2]" 1
254 1 12 SER HA 1 83 VAL H . . 4.680 4.538 4.375 4.640 . 0 0 "[ . 1 . 2]" 1
255 1 12 SER HA 1 83 VAL MG1 . . 3.840 3.542 3.245 3.844 0.004 12 0 "[ . 1 . 2]" 1
256 1 12 SER HA 1 84 GLU HA . . 3.270 2.456 2.297 2.756 . 0 0 "[ . 1 . 2]" 1
257 1 12 SER HA 1 84 GLU QB . . 4.700 4.270 3.790 4.714 0.014 1 0 "[ . 1 . 2]" 1
258 1 12 SER HA 1 84 GLU QG . . 4.280 3.452 2.582 4.074 . 0 0 "[ . 1 . 2]" 1
259 1 12 SER HA 1 85 ILE H . . 3.630 3.622 3.528 3.687 0.057 12 0 "[ . 1 . 2]" 1
260 1 12 SER QB 1 13 TYR H . . 3.140 2.642 2.453 2.896 . 0 0 "[ . 1 . 2]" 1
261 1 12 SER QB 1 83 VAL H . . 4.980 4.301 3.833 4.858 . 0 0 "[ . 1 . 2]" 1
262 1 12 SER QB 1 84 GLU HA . . 3.980 3.167 2.649 3.983 0.003 5 0 "[ . 1 . 2]" 1
263 1 12 SER QB 1 84 GLU QB . . 4.760 3.821 2.717 4.572 . 0 0 "[ . 1 . 2]" 1
264 1 13 TYR H 1 13 TYR HB2 . . 4.020 3.719 3.632 3.808 . 0 0 "[ . 1 . 2]" 1
265 1 13 TYR H 1 13 TYR HB3 . . 3.420 2.799 2.665 2.891 . 0 0 "[ . 1 . 2]" 1
266 1 13 TYR H 1 13 TYR QD . . 3.880 3.660 3.431 3.797 . 0 0 "[ . 1 . 2]" 1
267 1 13 TYR H 1 14 ASP H . . 4.930 4.443 4.327 4.501 . 0 0 "[ . 1 . 2]" 1
268 1 13 TYR H 1 82 HIS HA . . 4.600 4.623 4.572 4.670 0.070 12 0 "[ . 1 . 2]" 1
269 1 13 TYR H 1 83 VAL H . . 3.400 2.831 2.769 2.897 . 0 0 "[ . 1 . 2]" 1
270 1 13 TYR H 1 83 VAL MG1 . . 3.060 2.750 2.256 3.056 . 0 0 "[ . 1 . 2]" 1
271 1 13 TYR H 1 85 ILE H . . 5.500 5.552 5.467 5.587 0.087 10 0 "[ . 1 . 2]" 1
272 1 13 TYR HA 1 14 ASP H . . 2.720 2.265 2.220 2.329 . 0 0 "[ . 1 . 2]" 1
273 1 13 TYR HB3 1 83 VAL H . . 4.550 4.277 3.984 4.553 0.003 4 0 "[ . 1 . 2]" 1
274 1 13 TYR HB3 1 83 VAL MG1 . . 3.310 2.423 2.221 2.759 . 0 0 "[ . 1 . 2]" 1
275 1 13 TYR QD 1 19 TYR HB2 . . 4.630 4.018 3.728 4.275 . 0 0 "[ . 1 . 2]" 1
276 1 13 TYR QD 1 19 TYR QE . . 4.850 4.609 4.142 4.870 0.020 9 0 "[ . 1 . 2]" 1
277 1 13 TYR QD 1 42 LEU MD1 . . 4.050 3.562 3.234 3.896 . 0 0 "[ . 1 . 2]" 1
278 1 13 TYR QD 1 42 LEU MD2 . . 3.690 3.116 2.921 3.341 . 0 0 "[ . 1 . 2]" 1
279 1 13 TYR QD 1 83 VAL H . . 3.780 3.165 2.981 3.460 . 0 0 "[ . 1 . 2]" 1
280 1 13 TYR QD 1 83 VAL MG1 . . 3.040 2.045 2.001 2.101 . 0 0 "[ . 1 . 2]" 1
281 1 13 TYR QE 1 17 GLY H . . 4.930 4.788 4.166 4.944 0.014 17 0 "[ . 1 . 2]" 1
282 1 13 TYR QE 1 18 GLU H . . 5.500 5.145 4.611 5.536 0.036 13 0 "[ . 1 . 2]" 1
283 1 13 TYR QE 1 18 GLU HA . . 4.970 4.533 4.201 4.903 . 0 0 "[ . 1 . 2]" 1
284 1 13 TYR QE 1 19 TYR H . . 4.520 4.524 4.345 4.549 0.029 9 0 "[ . 1 . 2]" 1
285 1 13 TYR QE 1 42 LEU MD1 . . 3.780 3.086 2.695 3.446 . 0 0 "[ . 1 . 2]" 1
286 1 13 TYR QE 1 74 TYR HB2 . . 3.860 3.639 3.449 3.872 0.012 16 0 "[ . 1 . 2]" 1
287 1 13 TYR QE 1 74 TYR HB3 . . 3.580 2.998 2.612 3.326 . 0 0 "[ . 1 . 2]" 1
288 1 13 TYR QE 1 75 LYS H . . 4.400 4.410 4.237 4.449 0.049 17 0 "[ . 1 . 2]" 1
289 1 13 TYR QE 1 75 LYS HA . . 4.990 4.571 4.445 4.735 . 0 0 "[ . 1 . 2]" 1
290 1 13 TYR QE 1 76 SER H . . 4.490 4.465 4.306 4.523 0.033 5 0 "[ . 1 . 2]" 1
291 1 13 TYR QE 1 83 VAL H . . 4.890 4.934 4.896 4.965 0.075 6 0 "[ . 1 . 2]" 1
292 1 13 TYR QE 1 83 VAL HB . . 4.210 3.975 3.677 4.103 . 0 0 "[ . 1 . 2]" 1
293 1 13 TYR QE 1 83 VAL MG1 . . 3.570 3.580 3.524 3.609 0.039 5 0 "[ . 1 . 2]" 1
294 1 14 ASP H 1 14 ASP HB2 . . 4.040 3.990 3.927 4.040 . 5 0 "[ . 1 . 2]" 1
295 1 14 ASP H 1 14 ASP QB . . 3.340 3.333 3.241 3.392 0.052 19 0 "[ . 1 . 2]" 1
296 1 14 ASP H 1 14 ASP HB3 . . 4.040 3.573 3.421 3.664 . 0 0 "[ . 1 . 2]" 1
297 1 14 ASP H 1 15 GLY H . . 4.680 4.484 4.396 4.548 . 0 0 "[ . 1 . 2]" 1
298 1 14 ASP HA 1 15 GLY H . . 2.880 2.323 2.214 2.387 . 0 0 "[ . 1 . 2]" 1
299 1 14 ASP QB 1 15 GLY H . . 3.700 2.607 2.357 2.806 . 0 0 "[ . 1 . 2]" 1
300 1 14 ASP HB2 1 15 GLY H . . 4.550 2.662 2.396 2.896 . 0 0 "[ . 1 . 2]" 1
301 1 14 ASP HB3 1 15 GLY H . . 4.550 3.742 3.501 3.976 . 0 0 "[ . 1 . 2]" 1
302 1 15 GLY H 1 16 ALA MB . . 5.170 5.270 5.201 5.319 0.149 9 0 "[ . 1 . 2]" 1
303 1 15 GLY H 1 80 TRP H . . 5.500 5.541 5.488 5.608 0.108 11 0 "[ . 1 . 2]" 1
304 1 15 GLY H 1 80 TRP HA . . 5.500 5.087 4.300 5.436 . 0 0 "[ . 1 . 2]" 1
305 1 15 GLY H 1 81 GLY H . . 4.200 3.938 3.715 4.202 0.002 4 0 "[ . 1 . 2]" 1
306 1 15 GLY H 1 81 GLY HA3 . . 4.450 3.943 3.493 4.252 . 0 0 "[ . 1 . 2]" 1
307 1 15 GLY QA 1 16 ALA H . . 2.850 2.146 2.056 2.202 . 0 0 "[ . 1 . 2]" 1
308 1 15 GLY QA 1 16 ALA HA . . 5.180 4.052 4.001 4.115 . 0 0 "[ . 1 . 2]" 1
309 1 15 GLY QA 1 79 SER HA . . 3.740 2.432 2.121 3.124 . 0 0 "[ . 1 . 2]" 1
310 1 16 ALA H 1 16 ALA MB . . 2.800 2.041 2.000 2.103 . 0 0 "[ . 1 . 2]" 1
311 1 16 ALA H 1 17 GLY H . . 4.340 4.407 3.944 4.492 0.152 15 0 "[ . 1 . 2]" 1
312 1 16 ALA H 1 77 GLY H . . 5.500 5.578 5.544 5.608 0.108 11 0 "[ . 1 . 2]" 1
313 1 16 ALA H 1 79 SER HA . . 2.780 2.640 2.098 2.840 0.060 5 0 "[ . 1 . 2]" 1
314 1 16 ALA H 1 79 SER QB . . 4.360 4.206 3.886 4.430 0.070 9 0 "[ . 1 . 2]" 1
315 1 16 ALA H 1 80 TRP H . . 5.500 5.285 4.678 5.500 0.000 15 0 "[ . 1 . 2]" 1
316 1 16 ALA H 1 81 GLY HA3 . . 5.500 5.383 5.072 5.513 0.013 20 0 "[ . 1 . 2]" 1
317 1 16 ALA HA 1 17 GLY H . . 2.730 2.193 2.108 2.546 . 0 0 "[ . 1 . 2]" 1
318 1 16 ALA HA 1 17 GLY QA . . 4.300 4.022 3.995 4.103 . 0 0 "[ . 1 . 2]" 1
319 1 16 ALA HA 1 78 VAL H . . 3.070 2.802 2.579 2.978 . 0 0 "[ . 1 . 2]" 1
320 1 16 ALA HA 1 78 VAL MG2 . . 4.350 4.419 4.376 4.452 0.102 8 0 "[ . 1 . 2]" 1
321 1 16 ALA MB 1 17 GLY H . . 3.670 3.355 3.111 3.743 0.073 11 0 "[ . 1 . 2]" 1
322 1 16 ALA MB 1 17 GLY QA . . 4.130 3.922 3.778 4.051 . 0 0 "[ . 1 . 2]" 1
323 1 16 ALA MB 1 77 GLY H . . 4.400 4.021 3.831 4.313 . 0 0 "[ . 1 . 2]" 1
324 1 16 ALA MB 1 77 GLY HA2 . . 4.590 2.615 2.269 2.982 . 0 0 "[ . 1 . 2]" 1
325 1 16 ALA MB 1 77 GLY QA . . 3.940 2.579 2.251 2.923 . 0 0 "[ . 1 . 2]" 1
326 1 16 ALA MB 1 77 GLY HA3 . . 4.590 3.948 3.734 4.210 . 0 0 "[ . 1 . 2]" 1
327 1 16 ALA MB 1 78 VAL H . . 3.950 2.696 2.478 2.874 . 0 0 "[ . 1 . 2]" 1
328 1 16 ALA MB 1 78 VAL HA . . 3.950 3.018 2.728 3.322 . 0 0 "[ . 1 . 2]" 1
329 1 16 ALA MB 1 79 SER HA . . 3.780 3.419 2.872 3.715 . 0 0 "[ . 1 . 2]" 1
330 1 17 GLY H 1 18 GLU H . . 4.350 4.369 4.330 4.394 0.044 11 0 "[ . 1 . 2]" 1
331 1 17 GLY H 1 75 LYS HA . . 4.830 4.498 4.232 4.871 0.041 11 0 "[ . 1 . 2]" 1
332 1 17 GLY H 1 77 GLY H . . 4.900 4.610 4.370 4.876 . 0 0 "[ . 1 . 2]" 1
333 1 17 GLY H 1 77 GLY QA . . 4.720 4.048 3.810 4.660 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLY H 1 78 VAL H . . 4.880 4.711 4.560 4.898 0.018 11 0 "[ . 1 . 2]" 1
335 1 17 GLY QA 1 76 SER H . . 4.260 4.055 3.879 4.165 . 0 0 "[ . 1 . 2]" 1
336 1 17 GLY HA2 1 18 GLU H . . 3.020 2.444 2.273 2.645 . 0 0 "[ . 1 . 2]" 1
337 1 17 GLY HA2 1 76 SER H . . 5.030 4.432 4.119 4.563 . 0 0 "[ . 1 . 2]" 1
338 1 17 GLY HA3 1 18 GLU H . . 3.020 2.684 2.497 2.846 . 0 0 "[ . 1 . 2]" 1
339 1 17 GLY HA3 1 76 SER H . . 5.030 4.706 4.627 4.809 . 0 0 "[ . 1 . 2]" 1
340 1 18 GLU H 1 18 GLU HB2 . . 3.560 2.852 2.340 3.107 . 0 0 "[ . 1 . 2]" 1
341 1 18 GLU H 1 18 GLU QB . . 3.030 2.446 2.309 2.586 . 0 0 "[ . 1 . 2]" 1
342 1 18 GLU H 1 18 GLU HB3 . . 3.560 2.795 2.474 3.600 0.040 13 0 "[ . 1 . 2]" 1
343 1 18 GLU H 1 18 GLU QG . . 4.350 3.926 2.918 4.154 . 0 0 "[ . 1 . 2]" 1
344 1 18 GLU H 1 19 TYR H . . 4.610 4.463 4.371 4.552 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLU H 1 75 LYS HA . . 4.990 4.843 4.699 4.975 . 0 0 "[ . 1 . 2]" 1
346 1 18 GLU H 1 75 LYS HG2 . . 5.110 4.666 4.228 5.124 0.014 8 0 "[ . 1 . 2]" 1
347 1 18 GLU HA 1 18 GLU HG2 . . 4.080 2.874 2.384 3.129 . 0 0 "[ . 1 . 2]" 1
348 1 18 GLU HA 1 18 GLU QG . . 3.450 2.351 2.218 2.440 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLU HA 1 18 GLU HG3 . . 4.080 2.530 2.378 2.711 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLU HA 1 19 TYR H . . 2.820 2.180 2.092 2.233 . 0 0 "[ . 1 . 2]" 1
351 1 18 GLU HA 1 75 LYS H . . 5.040 4.878 4.787 5.058 0.018 10 0 "[ . 1 . 2]" 1
352 1 18 GLU HA 1 75 LYS HA . . 3.430 2.357 2.199 2.603 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLU HA 1 76 SER H . . 3.990 3.536 3.249 3.935 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLU QB 1 75 LYS HG3 . . 4.230 3.239 2.288 4.264 0.034 12 0 "[ . 1 . 2]" 1
355 1 18 GLU QG 1 19 TYR H . . 3.740 2.849 2.583 3.695 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLU QG 1 75 LYS HA . . 4.280 3.112 2.976 3.306 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLU QG 1 75 LYS HG2 . . 4.240 2.743 2.021 3.578 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU QG 1 76 SER H . . 4.580 4.513 3.729 4.679 0.099 4 0 "[ . 1 . 2]" 1
359 1 18 GLU HG2 1 19 TYR H . . 4.570 3.056 2.665 3.875 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLU HG3 1 19 TYR H . . 4.570 3.465 2.900 4.660 0.090 10 0 "[ . 1 . 2]" 1
361 1 19 TYR H 1 19 TYR HB2 . . 3.830 2.788 2.700 2.951 . 0 0 "[ . 1 . 2]" 1
362 1 19 TYR H 1 19 TYR QD . . 4.000 3.507 3.162 3.978 . 0 0 "[ . 1 . 2]" 1
363 1 19 TYR H 1 20 TYR H . . 4.600 4.493 4.415 4.549 . 0 0 "[ . 1 . 2]" 1
364 1 19 TYR H 1 20 TYR HA . . 4.960 5.008 4.972 5.037 0.077 17 0 "[ . 1 . 2]" 1
365 1 19 TYR H 1 74 TYR HB2 . . 3.380 3.018 2.756 3.217 . 0 0 "[ . 1 . 2]" 1
366 1 19 TYR H 1 74 TYR HB3 . . 4.760 4.468 4.223 4.702 . 0 0 "[ . 1 . 2]" 1
367 1 19 TYR H 1 75 LYS HA . . 4.010 3.638 3.311 3.874 . 0 0 "[ . 1 . 2]" 1
368 1 19 TYR H 1 75 LYS HG2 . . 5.500 4.965 4.522 5.549 0.049 8 0 "[ . 1 . 2]" 1
369 1 19 TYR HA 1 19 TYR QD . . 3.820 2.991 2.750 3.138 . 0 0 "[ . 1 . 2]" 1
370 1 19 TYR HA 1 20 TYR H . . 2.850 2.295 2.152 2.405 . 0 0 "[ . 1 . 2]" 1
371 1 19 TYR HA 1 20 TYR HA . . 4.490 4.471 4.366 4.529 0.039 4 0 "[ . 1 . 2]" 1
372 1 19 TYR HA 1 74 TYR H . . 5.160 4.885 4.761 5.011 . 0 0 "[ . 1 . 2]" 1
373 1 19 TYR HB2 1 20 TYR H . . 4.420 3.934 3.764 4.219 . 0 0 "[ . 1 . 2]" 1
374 1 19 TYR HB2 1 74 TYR H . . 4.660 4.196 3.965 4.383 . 0 0 "[ . 1 . 2]" 1
375 1 19 TYR HB2 1 74 TYR HB2 . . 4.050 2.714 2.476 3.036 . 0 0 "[ . 1 . 2]" 1
376 1 19 TYR HB3 1 20 TYR H . . 3.320 2.604 2.420 3.014 . 0 0 "[ . 1 . 2]" 1
377 1 19 TYR HB3 1 74 TYR HB2 . . 4.560 4.007 3.615 4.419 . 0 0 "[ . 1 . 2]" 1
378 1 20 TYR H 1 20 TYR HB2 . . 3.370 2.800 2.574 3.103 . 0 0 "[ . 1 . 2]" 1
379 1 20 TYR H 1 20 TYR QD . . 4.560 4.200 3.323 4.512 . 0 0 "[ . 1 . 2]" 1
380 1 20 TYR H 1 21 TRP H . . 4.690 4.313 4.167 4.526 . 0 0 "[ . 1 . 2]" 1
381 1 20 TYR HA 1 21 TRP H . . 2.920 2.216 2.157 2.301 . 0 0 "[ . 1 . 2]" 1
382 1 20 TYR HA 1 73 HIS HA . . 3.830 2.460 2.316 2.557 . 0 0 "[ . 1 . 2]" 1
383 1 20 TYR HB2 1 73 HIS HB2 . . 5.500 5.318 4.703 5.576 0.076 17 0 "[ . 1 . 2]" 1
384 1 20 TYR HB3 1 21 TRP H . . 4.310 3.663 2.789 4.186 . 0 0 "[ . 1 . 2]" 1
385 1 20 TYR QD 1 21 TRP H . . 4.200 2.920 2.257 3.774 . 0 0 "[ . 1 . 2]" 1
386 1 20 TYR QE 1 48 ASN H . . 5.270 5.130 4.769 5.289 0.019 15 0 "[ . 1 . 2]" 1
387 1 20 TYR QE 1 71 TYR HB2 . . 3.800 2.870 2.112 3.811 0.011 1 0 "[ . 1 . 2]" 1
388 1 20 TYR QE 1 71 TYR HB3 . . 3.640 3.078 2.286 3.668 0.028 17 0 "[ . 1 . 2]" 1
389 1 21 TRP H 1 21 TRP HB2 . . 3.370 2.821 2.651 2.981 . 0 0 "[ . 1 . 2]" 1
390 1 21 TRP H 1 22 LYS H . . 4.520 4.492 4.453 4.520 . 0 0 "[ . 1 . 2]" 1
391 1 21 TRP H 1 71 TYR HA . . 5.430 4.908 4.734 5.198 . 0 0 "[ . 1 . 2]" 1
392 1 21 TRP H 1 72 ILE H . . 4.050 3.151 3.010 3.311 . 0 0 "[ . 1 . 2]" 1
393 1 21 TRP H 1 72 ILE HB . . 3.720 3.461 3.288 3.594 . 0 0 "[ . 1 . 2]" 1
394 1 21 TRP H 1 72 ILE MD . . 5.010 4.928 4.596 5.037 0.027 16 0 "[ . 1 . 2]" 1
395 1 21 TRP H 1 72 ILE MG . . 4.420 4.364 4.210 4.456 0.036 10 0 "[ . 1 . 2]" 1
396 1 21 TRP H 1 73 HIS HA . . 4.420 3.749 3.616 3.844 . 0 0 "[ . 1 . 2]" 1
397 1 21 TRP H 1 74 TYR QD . . 4.900 3.738 3.478 3.980 . 0 0 "[ . 1 . 2]" 1
398 1 21 TRP HA 1 21 TRP HD1 . . 3.730 2.674 2.393 2.880 . 0 0 "[ . 1 . 2]" 1
399 1 21 TRP HA 1 21 TRP HE1 . . 4.840 4.761 4.674 4.843 0.003 6 0 "[ . 1 . 2]" 1
400 1 21 TRP HA 1 22 LYS H . . 2.910 2.442 2.366 2.521 . 0 0 "[ . 1 . 2]" 1
401 1 21 TRP HB2 1 72 ILE HB . . 3.910 3.399 3.251 3.529 . 0 0 "[ . 1 . 2]" 1
402 1 21 TRP HB2 1 72 ILE MD . . 4.530 3.950 3.518 4.112 . 0 0 "[ . 1 . 2]" 1
403 1 21 TRP HB2 1 72 ILE MG . . 4.800 4.399 4.207 4.556 . 0 0 "[ . 1 . 2]" 1
404 1 21 TRP HB3 1 22 LYS H . . 3.360 2.456 2.323 2.619 . 0 0 "[ . 1 . 2]" 1
405 1 21 TRP HB3 1 72 ILE HB . . 4.830 4.431 4.236 4.665 . 0 0 "[ . 1 . 2]" 1
406 1 21 TRP HB3 1 72 ILE MD . . 5.320 4.208 3.699 4.558 . 0 0 "[ . 1 . 2]" 1
407 1 21 TRP HD1 1 22 LYS H . . 4.220 3.400 3.203 3.538 . 0 0 "[ . 1 . 2]" 1
408 1 22 LYS H 1 22 LYS HB2 . . 4.010 3.910 3.856 3.970 . 0 0 "[ . 1 . 2]" 1
409 1 22 LYS H 1 22 LYS HB3 . . 3.840 3.314 3.235 3.400 . 0 0 "[ . 1 . 2]" 1
410 1 22 LYS H 1 22 LYS HG2 . . 3.060 2.715 2.472 2.895 . 0 0 "[ . 1 . 2]" 1
411 1 22 LYS H 1 22 LYS HG3 . . 4.380 2.973 2.772 3.193 . 0 0 "[ . 1 . 2]" 1
412 1 22 LYS H 1 23 THR H . . 4.520 4.505 4.459 4.534 0.014 1 0 "[ . 1 . 2]" 1
413 1 22 LYS HA 1 22 LYS HG3 . . 4.030 3.704 3.668 3.726 . 0 0 "[ . 1 . 2]" 1
414 1 22 LYS HA 1 23 THR H . . 2.860 2.312 2.245 2.401 . 0 0 "[ . 1 . 2]" 1
415 1 22 LYS HA 1 70 TRP H . . 5.010 4.738 4.537 4.850 . 0 0 "[ . 1 . 2]" 1
416 1 22 LYS HA 1 71 TYR HA . . 4.010 2.644 2.283 2.994 . 0 0 "[ . 1 . 2]" 1
417 1 22 LYS HA 1 71 TYR QD . . 5.010 4.723 4.463 5.026 0.016 14 0 "[ . 1 . 2]" 1
418 1 22 LYS HA 1 72 ILE H . . 3.830 3.178 3.111 3.334 . 0 0 "[ . 1 . 2]" 1
419 1 22 LYS HA 1 72 ILE MD . . 4.200 3.783 3.219 4.163 . 0 0 "[ . 1 . 2]" 1
420 1 22 LYS HA 1 72 ILE HG13 . . 4.850 3.588 3.153 4.058 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS HB2 1 23 THR H . . 3.820 2.468 2.332 2.642 . 0 0 "[ . 1 . 2]" 1
422 1 22 LYS HB2 1 69 TYR HA . . 5.500 5.517 5.223 5.608 0.108 9 0 "[ . 1 . 2]" 1
423 1 22 LYS HB2 1 69 TYR HB3 . . 5.030 4.703 4.128 4.999 . 0 0 "[ . 1 . 2]" 1
424 1 22 LYS HB2 1 71 TYR HA . . 4.170 3.647 3.366 3.964 . 0 0 "[ . 1 . 2]" 1
425 1 22 LYS HB2 1 72 ILE H . . 5.120 5.131 4.986 5.169 0.049 9 0 "[ . 1 . 2]" 1
426 1 22 LYS HB3 1 23 THR H . . 4.140 3.796 3.708 3.883 . 0 0 "[ . 1 . 2]" 1
427 1 22 LYS HB3 1 71 TYR QD . . 4.160 3.868 3.602 4.201 0.041 14 0 "[ . 1 . 2]" 1
428 1 22 LYS QD 1 69 TYR HB3 . . 4.290 3.969 3.605 4.317 0.027 6 0 "[ . 1 . 2]" 1
429 1 22 LYS QD 1 71 TYR QD . . 5.150 4.512 4.034 4.837 . 0 0 "[ . 1 . 2]" 1
430 1 22 LYS QE 1 22 LYS HG3 . . 3.220 2.314 2.212 2.675 . 0 0 "[ . 1 . 2]" 1
431 1 22 LYS HE2 1 22 LYS HG3 . . 3.780 3.063 2.295 3.760 . 0 0 "[ . 1 . 2]" 1
432 1 22 LYS HE3 1 22 LYS HG3 . . 3.780 2.504 2.271 3.603 . 0 0 "[ . 1 . 2]" 1
433 1 22 LYS HG2 1 69 TYR QD . . 5.500 5.145 4.738 5.528 0.028 11 0 "[ . 1 . 2]" 1
434 1 22 LYS HG3 1 23 THR H . . 4.390 3.877 3.662 4.013 . 0 0 "[ . 1 . 2]" 1
435 1 23 THR H 1 23 THR HB . . 3.770 3.395 3.281 3.561 . 0 0 "[ . 1 . 2]" 1
436 1 23 THR H 1 23 THR MG . . 2.970 2.652 2.399 2.821 . 0 0 "[ . 1 . 2]" 1
437 1 23 THR H 1 69 TYR HB2 . . 4.190 3.282 2.842 3.630 . 0 0 "[ . 1 . 2]" 1
438 1 23 THR H 1 70 TRP H . . 3.500 2.898 2.681 3.050 . 0 0 "[ . 1 . 2]" 1
439 1 23 THR H 1 70 TRP HB2 . . 4.000 3.512 3.370 3.668 . 0 0 "[ . 1 . 2]" 1
440 1 23 THR H 1 70 TRP HB3 . . 5.230 4.691 4.526 4.907 . 0 0 "[ . 1 . 2]" 1
441 1 23 THR H 1 70 TRP HE3 . . 4.820 4.477 4.410 4.565 . 0 0 "[ . 1 . 2]" 1
442 1 23 THR H 1 72 ILE MD . . 4.570 4.074 3.807 4.347 . 0 0 "[ . 1 . 2]" 1
443 1 23 THR H 1 72 ILE HG13 . . 4.810 4.308 4.020 4.812 0.002 7 0 "[ . 1 . 2]" 1
444 1 23 THR HA 1 24 ASP H . . 2.860 2.245 2.139 2.363 . 0 0 "[ . 1 . 2]" 1
445 1 23 THR HA 1 24 ASP QB . . 4.370 4.298 3.645 4.430 0.060 15 0 "[ . 1 . 2]" 1
446 1 23 THR HA 1 25 GLN H . . 4.290 3.813 3.515 4.075 . 0 0 "[ . 1 . 2]" 1
447 1 23 THR HA 1 70 TRP H . . 5.110 4.753 4.632 4.916 . 0 0 "[ . 1 . 2]" 1
448 1 23 THR HB 1 24 ASP H . . 3.910 3.913 3.791 3.990 0.080 14 0 "[ . 1 . 2]" 1
449 1 23 THR HB 1 25 GLN HE22 . . 4.190 4.027 3.217 4.264 0.074 2 0 "[ . 1 . 2]" 1
450 1 23 THR HB 1 72 ILE MD . . 4.640 3.440 3.037 3.902 . 0 0 "[ . 1 . 2]" 1
451 1 23 THR HB 1 85 ILE MD . . 5.500 5.424 5.228 5.546 0.046 19 0 "[ . 1 . 2]" 1
452 1 23 THR MG 1 25 GLN H . . 3.590 3.097 2.713 3.579 . 0 0 "[ . 1 . 2]" 1
453 1 23 THR MG 1 26 PHE H . . 3.890 2.894 2.441 3.489 . 0 0 "[ . 1 . 2]" 1
454 1 23 THR MG 1 26 PHE QB . . 5.220 3.295 2.339 3.924 . 0 0 "[ . 1 . 2]" 1
455 1 23 THR MG 1 26 PHE QD . . 3.330 2.512 2.167 2.844 . 0 0 "[ . 1 . 2]" 1
456 1 23 THR MG 1 26 PHE QE . . 3.230 2.602 2.374 3.247 0.017 10 0 "[ . 1 . 2]" 1
457 1 23 THR MG 1 70 TRP H . . 3.850 3.468 3.198 3.762 . 0 0 "[ . 1 . 2]" 1
458 1 23 THR MG 1 70 TRP HB2 . . 3.630 2.541 2.172 2.848 . 0 0 "[ . 1 . 2]" 1
459 1 23 THR MG 1 70 TRP HE3 . . 4.490 3.147 3.000 3.310 . 0 0 "[ . 1 . 2]" 1
460 1 24 ASP H 1 24 ASP HB2 . . 4.040 3.712 2.598 3.962 . 0 0 "[ . 1 . 2]" 1
461 1 24 ASP H 1 24 ASP HB3 . . 4.040 3.200 2.539 3.501 . 0 0 "[ . 1 . 2]" 1
462 1 24 ASP H 1 25 GLN H . . 2.970 2.105 1.930 2.462 . 0 0 "[ . 1 . 2]" 1
463 1 24 ASP H 1 25 GLN HB2 . . 4.040 4.044 3.928 4.079 0.039 16 0 "[ . 1 . 2]" 1
464 1 24 ASP H 1 25 GLN HE21 . . 3.880 2.696 2.227 3.641 . 0 0 "[ . 1 . 2]" 1
465 1 24 ASP H 1 25 GLN HE22 . . 4.440 3.557 2.924 4.468 0.028 7 0 "[ . 1 . 2]" 1
466 1 24 ASP H 1 25 GLN HG3 . . 3.800 3.671 3.273 3.824 0.024 14 0 "[ . 1 . 2]" 1
467 1 24 ASP H 1 26 PHE H . . 4.780 4.224 3.729 4.752 . 0 0 "[ . 1 . 2]" 1
468 1 24 ASP H 1 70 TRP HE3 . . 4.830 4.654 4.463 4.891 0.061 20 0 "[ . 1 . 2]" 1
469 1 24 ASP HA 1 26 PHE H . . 4.290 3.651 3.137 4.151 . 0 0 "[ . 1 . 2]" 1
470 1 24 ASP HA 1 69 TYR HA . . 3.610 2.911 2.295 3.278 . 0 0 "[ . 1 . 2]" 1
471 1 24 ASP HA 1 70 TRP H . . 3.990 3.589 3.473 3.834 . 0 0 "[ . 1 . 2]" 1
472 1 24 ASP HA 1 70 TRP HE3 . . 3.340 2.469 2.125 3.058 . 0 0 "[ . 1 . 2]" 1
473 1 24 ASP QB 1 69 TYR HA . . 4.290 3.043 2.512 4.126 . 0 0 "[ . 1 . 2]" 1
474 1 24 ASP QB 1 69 TYR HB2 . . 5.100 3.189 2.713 3.860 . 0 0 "[ . 1 . 2]" 1
475 1 25 GLN H 1 25 GLN HB2 . . 3.020 2.441 2.329 2.584 . 0 0 "[ . 1 . 2]" 1
476 1 25 GLN H 1 25 GLN HB3 . . 4.200 3.655 3.589 3.769 . 0 0 "[ . 1 . 2]" 1
477 1 25 GLN H 1 25 GLN HE21 . . 4.160 2.225 1.995 2.764 . 0 0 "[ . 1 . 2]" 1
478 1 25 GLN H 1 25 GLN HG2 . . 4.500 4.182 3.988 4.444 . 0 0 "[ . 1 . 2]" 1
479 1 25 GLN H 1 25 GLN HG3 . . 4.120 2.949 2.657 3.235 . 0 0 "[ . 1 . 2]" 1
480 1 25 GLN H 1 26 PHE H . . 3.640 2.413 2.220 2.608 . 0 0 "[ . 1 . 2]" 1
481 1 25 GLN H 1 70 TRP HE3 . . 4.530 4.438 3.814 4.616 0.086 10 0 "[ . 1 . 2]" 1
482 1 25 GLN HA 1 25 GLN HG2 . . 3.840 3.117 2.911 3.265 . 0 0 "[ . 1 . 2]" 1
483 1 25 GLN HA 1 25 GLN HG3 . . 3.700 2.492 2.344 2.729 . 0 0 "[ . 1 . 2]" 1
484 1 25 GLN HB2 1 25 GLN HE22 . . 5.100 3.418 3.326 3.487 . 0 0 "[ . 1 . 2]" 1
485 1 25 GLN HB3 1 26 PHE H . . 4.680 4.147 3.837 4.328 . 0 0 "[ . 1 . 2]" 1
486 1 25 GLN HE21 1 26 PHE H . . 4.050 4.166 4.096 4.215 0.165 10 0 "[ . 1 . 2]" 1
487 1 25 GLN HE22 1 25 GLN HG3 . . 3.940 3.752 3.600 3.841 . 0 0 "[ . 1 . 2]" 1
488 1 25 GLN HG3 1 26 PHE H . . 4.890 4.752 4.586 4.844 . 0 0 "[ . 1 . 2]" 1
489 1 26 PHE H 1 26 PHE HB2 . . 3.550 2.275 1.996 2.347 . 0 0 "[ . 1 . 2]" 1
490 1 26 PHE H 1 26 PHE QB . . 2.950 2.248 1.972 2.318 . 0 0 "[ . 1 . 2]" 1
491 1 26 PHE H 1 26 PHE HB3 . . 3.550 3.516 3.038 3.586 0.036 17 0 "[ . 1 . 2]" 1
492 1 26 PHE H 1 27 SER H . . 5.200 4.625 4.507 4.729 . 0 0 "[ . 1 . 2]" 1
493 1 26 PHE H 1 70 TRP HE3 . . 4.140 3.752 3.334 3.976 . 0 0 "[ . 1 . 2]" 1
494 1 26 PHE HA 1 26 PHE QD . . 3.510 2.356 2.182 2.695 . 0 0 "[ . 1 . 2]" 1
495 1 26 PHE HA 1 27 SER H . . 2.640 2.131 2.028 2.237 . 0 0 "[ . 1 . 2]" 1
496 1 26 PHE HA 1 59 GLN QG . . 4.660 3.333 2.487 3.983 . 0 0 "[ . 1 . 2]" 1
497 1 26 PHE QB 1 27 SER H . . 4.010 3.209 2.860 3.748 . 0 0 "[ . 1 . 2]" 1
498 1 26 PHE QB 1 59 GLN QG . . 5.180 3.851 3.155 4.446 . 0 0 "[ . 1 . 2]" 1
499 1 26 PHE QB 1 70 TRP HE1 . . 5.340 4.527 4.008 4.892 . 0 0 "[ . 1 . 2]" 1
500 1 26 PHE HB2 1 27 SER H . . 4.800 4.360 4.130 4.627 . 0 0 "[ . 1 . 2]" 1
501 1 26 PHE HB3 1 27 SER H . . 4.800 3.308 2.917 3.961 . 0 0 "[ . 1 . 2]" 1
502 1 26 PHE QD 1 27 SER H . . 4.170 4.080 3.829 4.202 0.032 2 0 "[ . 1 . 2]" 1
503 1 26 PHE QD 1 59 GLN HA . . 4.260 3.313 2.919 3.805 . 0 0 "[ . 1 . 2]" 1
504 1 26 PHE QD 1 59 GLN QB . . 4.240 2.989 2.567 3.645 . 0 0 "[ . 1 . 2]" 1
505 1 26 PHE QD 1 62 ILE H . . 4.770 4.768 4.422 4.827 0.057 20 0 "[ . 1 . 2]" 1
506 1 26 PHE QD 1 62 ILE HB . . 4.420 3.529 3.150 3.833 . 0 0 "[ . 1 . 2]" 1
507 1 26 PHE QD 1 62 ILE MD . . 4.560 4.023 3.671 4.526 . 0 0 "[ . 1 . 2]" 1
508 1 26 PHE QD 1 70 TRP HB2 . . 5.090 4.088 3.730 4.526 . 0 0 "[ . 1 . 2]" 1
509 1 26 PHE QE 1 47 ILE MG . . 3.660 2.609 2.219 3.223 . 0 0 "[ . 1 . 2]" 1
510 1 26 PHE QE 1 59 GLN HA . . 4.620 3.315 2.521 3.998 . 0 0 "[ . 1 . 2]" 1
511 1 26 PHE QE 1 62 ILE H . . 5.490 5.224 4.026 5.513 0.023 3 0 "[ . 1 . 2]" 1
512 1 26 PHE QE 1 62 ILE MD . . 3.340 2.453 2.220 2.749 . 0 0 "[ . 1 . 2]" 1
513 1 26 PHE QE 1 62 ILE MG . . 4.080 3.819 3.257 4.098 0.018 15 0 "[ . 1 . 2]" 1
514 1 26 PHE QE 1 70 TRP HE1 . . 5.350 4.594 3.998 4.992 . 0 0 "[ . 1 . 2]" 1
515 1 26 PHE QE 1 72 ILE MD . . 3.370 2.823 2.568 3.233 . 0 0 "[ . 1 . 2]" 1
516 1 26 PHE QE 1 72 ILE HG12 . . 4.600 4.203 3.673 4.600 . 0 0 "[ . 1 . 2]" 1
517 1 27 SER H 1 27 SER HB2 . . 4.030 2.756 2.308 3.699 . 0 0 "[ . 1 . 2]" 1
518 1 27 SER H 1 27 SER QB . . 3.540 2.380 2.201 2.670 . 0 0 "[ . 1 . 2]" 1
519 1 27 SER H 1 27 SER HB3 . . 4.030 2.943 2.381 3.679 . 0 0 "[ . 1 . 2]" 1
520 1 27 SER H 1 59 GLN H . . 5.500 5.306 4.908 5.562 0.062 5 0 "[ . 1 . 2]" 1
521 1 27 SER H 1 59 GLN HB2 . . 4.200 2.862 2.137 3.417 . 0 0 "[ . 1 . 2]" 1
522 1 27 SER H 1 59 GLN QB . . 3.530 2.442 2.114 2.708 . 0 0 "[ . 1 . 2]" 1
523 1 27 SER H 1 59 GLN HB3 . . 4.200 2.765 2.305 3.353 . 0 0 "[ . 1 . 2]" 1
524 1 27 SER H 1 59 GLN QG . . 4.540 3.201 2.371 3.930 . 0 0 "[ . 1 . 2]" 1
525 1 27 SER H 1 60 HIS H . . 5.500 5.125 4.551 5.536 0.036 18 0 "[ . 1 . 2]" 1
526 1 27 SER HA 1 28 THR H . . 2.810 2.233 2.072 2.359 . 0 0 "[ . 1 . 2]" 1
527 1 27 SER HA 1 29 ASP H . . 4.790 3.926 3.603 4.248 . 0 0 "[ . 1 . 2]" 1
528 1 27 SER QB 1 28 THR H . . 4.110 3.102 2.501 3.833 . 0 0 "[ . 1 . 2]" 1
529 1 27 SER QB 1 29 ASP H . . 4.700 3.555 2.730 4.429 . 0 0 "[ . 1 . 2]" 1
530 1 27 SER QB 1 35 ARG QB . . 4.110 2.859 2.148 3.641 . 0 0 "[ . 1 . 2]" 1
531 1 27 SER QB 1 59 GLN QB . . 4.510 2.762 1.984 3.752 . 0 0 "[ . 1 . 2]" 1
532 1 27 SER HB2 1 29 ASP H . . 5.500 4.434 3.342 5.388 . 0 0 "[ . 1 . 2]" 1
533 1 27 SER HB3 1 29 ASP H . . 5.500 4.050 2.774 5.338 . 0 0 "[ . 1 . 2]" 1
534 1 28 THR H 1 29 ASP H . . 3.020 2.110 1.851 2.716 . 0 0 "[ . 1 . 2]" 1
535 1 28 THR H 1 29 ASP QB . . 4.470 3.795 3.427 4.484 0.014 2 0 "[ . 1 . 2]" 1
536 1 28 THR H 1 60 HIS QB . . 5.340 4.106 3.452 4.899 . 0 0 "[ . 1 . 2]" 1
537 1 28 THR HA 1 28 THR MG . . 3.380 2.822 2.545 3.252 . 0 0 "[ . 1 . 2]" 1
538 1 28 THR HA 1 60 HIS HB2 . . 4.160 2.964 2.534 3.601 . 0 0 "[ . 1 . 2]" 1
539 1 28 THR HA 1 60 HIS QB . . 3.620 2.728 2.406 3.180 . 0 0 "[ . 1 . 2]" 1
540 1 28 THR HA 1 60 HIS HB3 . . 4.160 3.463 2.672 4.229 0.069 13 0 "[ . 1 . 2]" 1
541 1 28 THR HB 1 29 ASP H . . 5.240 4.456 4.227 4.617 . 0 0 "[ . 1 . 2]" 1
542 1 29 ASP H 1 29 ASP HB2 . . 3.290 2.489 2.114 2.909 . 0 0 "[ . 1 . 2]" 1
543 1 29 ASP H 1 29 ASP HB3 . . 3.290 2.799 2.078 3.465 0.175 6 0 "[ . 1 . 2]" 1
544 1 29 ASP H 1 32 ASP QB . . 4.420 3.539 2.807 4.082 . 0 0 "[ . 1 . 2]" 1
545 1 29 ASP QB 1 32 ASP H . . 3.840 3.256 2.852 3.744 . 0 0 "[ . 1 . 2]" 1
546 1 29 ASP QB 1 32 ASP QB . . 3.560 2.946 2.105 3.578 0.018 7 0 "[ . 1 . 2]" 1
547 1 30 PRO QB 1 31 ASN H . . 4.050 3.512 3.081 4.018 . 0 0 "[ . 1 . 2]" 1
548 1 31 ASN H 1 31 ASN HB2 . . 3.640 2.376 2.232 2.549 . 0 0 "[ . 1 . 2]" 1
549 1 31 ASN H 1 31 ASN QB . . 2.940 2.333 2.209 2.504 . 0 0 "[ . 1 . 2]" 1
550 1 31 ASN H 1 31 ASN HB3 . . 3.640 3.526 2.512 3.672 0.032 4 0 "[ . 1 . 2]" 1
551 1 31 ASN H 1 31 ASN QD . . 4.630 3.689 2.209 4.682 0.052 3 0 "[ . 1 . 2]" 1
552 1 31 ASN H 1 32 ASP H . . 3.070 2.311 1.764 2.619 . 0 0 "[ . 1 . 2]" 1
553 1 31 ASN HA 1 31 ASN HD21 . . 4.130 3.307 2.451 3.991 . 0 0 "[ . 1 . 2]" 1
554 1 31 ASN HA 1 31 ASN QD . . 3.630 3.135 2.414 3.633 0.003 2 0 "[ . 1 . 2]" 1
555 1 31 ASN HA 1 31 ASN HD22 . . 4.130 4.001 3.594 4.234 0.104 16 0 "[ . 1 . 2]" 1
556 1 31 ASN HA 1 33 TRP HD1 . . 4.150 3.176 2.338 4.157 0.007 12 0 "[ . 1 . 2]" 1
557 1 31 ASN HA 1 33 TRP HE1 . . 4.420 3.578 2.451 4.477 0.057 9 0 "[ . 1 . 2]" 1
558 1 31 ASN QB 1 31 ASN QD . . 2.820 2.247 2.126 2.370 . 0 0 "[ . 1 . 2]" 1
559 1 31 ASN HB2 1 32 ASP H . . 3.890 3.240 2.852 3.919 0.029 19 0 "[ . 1 . 2]" 1
560 1 31 ASN HB3 1 32 ASP H . . 3.890 3.879 2.905 4.012 0.122 11 0 "[ . 1 . 2]" 1
561 1 32 ASP H 1 32 ASP HB2 . . 3.660 2.404 2.216 2.786 . 0 0 "[ . 1 . 2]" 1
562 1 32 ASP H 1 32 ASP QB . . 3.040 2.324 2.129 2.390 . 0 0 "[ . 1 . 2]" 1
563 1 32 ASP H 1 32 ASP HB3 . . 3.660 3.449 2.388 3.641 . 0 0 "[ . 1 . 2]" 1
564 1 32 ASP HA 1 33 TRP H . . 3.570 2.599 2.102 3.094 . 0 0 "[ . 1 . 2]" 1
565 1 33 TRP HA 1 58 ALA MB . . 4.710 2.968 2.385 3.615 . 0 0 "[ . 1 . 2]" 1
566 1 33 TRP HB2 1 34 SER H . . 4.620 3.172 2.926 3.774 . 0 0 "[ . 1 . 2]" 1
567 1 33 TRP HB2 1 34 SER HA . . 4.780 4.683 4.473 4.806 0.026 13 0 "[ . 1 . 2]" 1
568 1 33 TRP HB3 1 33 TRP HZ3 . . 5.430 5.144 5.047 5.245 . 0 0 "[ . 1 . 2]" 1
569 1 33 TRP HB3 1 34 SER H . . 4.530 3.940 3.614 4.391 . 0 0 "[ . 1 . 2]" 1
570 1 33 TRP HE3 1 58 ALA MB . . 3.830 2.888 2.255 3.732 . 0 0 "[ . 1 . 2]" 1
571 1 33 TRP HH2 1 58 ALA MB . . 5.280 4.665 3.879 5.187 . 0 0 "[ . 1 . 2]" 1
572 1 33 TRP HZ3 1 58 ALA MB . . 3.760 3.282 2.578 3.789 0.029 6 0 "[ . 1 . 2]" 1
573 1 34 SER H 1 34 SER HB2 . . 3.970 2.703 2.223 3.666 . 0 0 "[ . 1 . 2]" 1
574 1 34 SER H 1 34 SER QB . . 3.200 2.370 2.115 2.673 . 0 0 "[ . 1 . 2]" 1
575 1 34 SER H 1 34 SER HB3 . . 3.970 3.019 2.245 3.636 . 0 0 "[ . 1 . 2]" 1
576 1 35 ARG HA 1 36 TYR H . . 3.080 2.178 2.058 2.512 . 0 0 "[ . 1 . 2]" 1
577 1 35 ARG HA 1 59 GLN QE . . 4.400 3.821 3.216 4.421 0.021 9 0 "[ . 1 . 2]" 1
578 1 35 ARG HA 1 86 LYS HB2 . . 3.280 2.264 2.028 2.775 . 0 0 "[ . 1 . 2]" 1
579 1 35 ARG HA 1 86 LYS HB3 . . 3.690 2.955 2.250 3.622 . 0 0 "[ . 1 . 2]" 1
580 1 35 ARG HA 1 86 LYS HG2 . . 4.640 4.361 3.888 4.705 0.065 14 0 "[ . 1 . 2]" 1
581 1 35 ARG HA 1 86 LYS HG3 . . 4.100 3.723 3.051 4.129 0.029 14 0 "[ . 1 . 2]" 1
582 1 35 ARG QB 1 36 TYR H . . 4.330 3.650 2.971 3.978 . 0 0 "[ . 1 . 2]" 1
583 1 35 ARG QB 1 59 GLN QE . . 4.330 3.122 2.336 4.220 . 0 0 "[ . 1 . 2]" 1
584 1 35 ARG QB 1 86 LYS HB2 . . 4.390 3.681 2.550 4.128 . 0 0 "[ . 1 . 2]" 1
585 1 35 ARG QB 1 86 LYS HB3 . . 4.410 4.191 3.375 4.454 0.044 8 0 "[ . 1 . 2]" 1
586 1 36 TYR H 1 36 TYR QD . . 3.930 2.959 2.483 3.410 . 0 0 "[ . 1 . 2]" 1
587 1 36 TYR H 1 36 TYR QE . . 5.010 4.228 3.919 4.555 . 0 0 "[ . 1 . 2]" 1
588 1 36 TYR H 1 59 GLN HE21 . . 5.500 3.806 3.157 5.044 . 0 0 "[ . 1 . 2]" 1
589 1 36 TYR H 1 59 GLN QE . . 4.690 3.336 2.872 4.668 . 0 0 "[ . 1 . 2]" 1
590 1 36 TYR H 1 59 GLN HE22 . . 5.500 3.859 2.959 5.504 0.004 14 0 "[ . 1 . 2]" 1
591 1 36 TYR H 1 86 LYS H . . 5.410 3.406 2.801 4.390 . 0 0 "[ . 1 . 2]" 1
592 1 36 TYR H 1 86 LYS HB2 . . 3.730 2.168 1.742 2.797 . 0 0 "[ . 1 . 2]" 1
593 1 36 TYR H 1 86 LYS HB3 . . 4.950 3.700 3.046 4.380 . 0 0 "[ . 1 . 2]" 1
594 1 36 TYR H 1 86 LYS HG3 . . 5.500 3.414 2.176 4.096 . 0 0 "[ . 1 . 2]" 1
595 1 36 TYR HA 1 56 TRP HE3 . . 5.440 4.824 4.128 5.401 . 0 0 "[ . 1 . 2]" 1
596 1 36 TYR HA 1 86 LYS HB2 . . 5.020 4.768 4.339 5.033 0.013 20 0 "[ . 1 . 2]" 1
597 1 36 TYR QB 1 37 VAL H . . 3.110 2.320 2.080 2.485 . 0 0 "[ . 1 . 2]" 1
598 1 36 TYR QB 1 56 TRP HE3 . . 4.130 2.966 2.124 3.639 . 0 0 "[ . 1 . 2]" 1
599 1 36 TYR QB 1 58 ALA HA . . 3.960 2.737 2.287 3.640 . 0 0 "[ . 1 . 2]" 1
600 1 36 TYR QD 1 37 VAL H . . 3.970 3.533 3.050 3.958 . 0 0 "[ . 1 . 2]" 1
601 1 36 TYR QD 1 37 VAL QG . . 5.060 4.293 4.041 4.545 . 0 0 "[ . 1 . 2]" 1
602 1 36 TYR QD 1 38 ASN H . . 4.160 3.485 2.969 3.962 . 0 0 "[ . 1 . 2]" 1
603 1 36 TYR QD 1 38 ASN QB . . 4.000 2.549 2.228 2.854 . 0 0 "[ . 1 . 2]" 1
604 1 36 TYR QD 1 56 TRP HA . . 5.150 4.865 4.056 5.197 0.047 16 0 "[ . 1 . 2]" 1
605 1 36 TYR QD 1 86 LYS H . . 5.500 4.724 4.320 5.329 . 0 0 "[ . 1 . 2]" 1
606 1 36 TYR QE 1 38 ASN H . . 4.800 4.529 3.974 4.817 0.017 5 0 "[ . 1 . 2]" 1
607 1 36 TYR QE 1 38 ASN HB2 . . 4.060 3.553 2.201 4.085 0.025 7 0 "[ . 1 . 2]" 1
608 1 36 TYR QE 1 38 ASN HB3 . . 4.060 2.923 2.272 3.446 . 0 0 "[ . 1 . 2]" 1
609 1 37 VAL H 1 37 VAL HB . . 3.570 2.759 2.269 3.116 . 0 0 "[ . 1 . 2]" 1
610 1 37 VAL H 1 37 VAL MG1 . . 4.090 3.899 3.669 4.014 . 0 0 "[ . 1 . 2]" 1
611 1 37 VAL H 1 37 VAL QG . . 3.260 2.658 2.477 2.934 . 0 0 "[ . 1 . 2]" 1
612 1 37 VAL H 1 37 VAL MG2 . . 4.090 2.712 2.505 3.055 . 0 0 "[ . 1 . 2]" 1
613 1 37 VAL H 1 56 TRP HA . . 5.000 4.769 4.556 5.007 0.007 18 0 "[ . 1 . 2]" 1
614 1 37 VAL H 1 58 ALA H . . 5.150 4.964 4.916 5.029 . 0 0 "[ . 1 . 2]" 1
615 1 37 VAL H 1 58 ALA HA . . 4.100 3.598 3.454 3.781 . 0 0 "[ . 1 . 2]" 1
616 1 37 VAL H 1 59 GLN H . . 4.820 4.381 4.199 4.568 . 0 0 "[ . 1 . 2]" 1
617 1 37 VAL H 1 62 ILE MD . . 5.500 5.151 4.772 5.524 0.024 16 0 "[ . 1 . 2]" 1
618 1 37 VAL HA 1 37 VAL MG1 . . 3.500 2.316 2.154 2.553 . 0 0 "[ . 1 . 2]" 1
619 1 37 VAL HA 1 37 VAL QG . . 3.030 2.144 2.073 2.212 . 0 0 "[ . 1 . 2]" 1
620 1 37 VAL HA 1 37 VAL MG2 . . 3.500 2.579 2.362 2.758 . 0 0 "[ . 1 . 2]" 1
621 1 37 VAL HA 1 38 ASN H . . 2.810 2.266 2.193 2.327 . 0 0 "[ . 1 . 2]" 1
622 1 37 VAL HA 1 85 ILE HA . . 3.450 2.816 2.418 3.167 . 0 0 "[ . 1 . 2]" 1
623 1 37 VAL HA 1 86 LYS H . . 4.080 3.998 3.784 4.136 0.056 9 0 "[ . 1 . 2]" 1
624 1 37 VAL HB 1 38 ASN H . . 4.320 3.968 3.546 4.288 . 0 0 "[ . 1 . 2]" 1
625 1 37 VAL HB 1 45 LEU MD1 . . 5.500 4.981 4.343 5.519 0.019 13 0 "[ . 1 . 2]" 1
626 1 37 VAL HB 1 57 VAL H . . 4.020 3.539 2.897 4.031 0.011 20 0 "[ . 1 . 2]" 1
627 1 37 VAL HB 1 57 VAL QG . . 3.490 2.208 2.026 2.444 . 0 0 "[ . 1 . 2]" 1
628 1 37 VAL HB 1 62 ILE MD . . 4.900 4.436 3.680 4.912 0.012 1 0 "[ . 1 . 2]" 1
629 1 37 VAL QG 1 38 ASN H . . 3.040 2.449 2.189 2.688 . 0 0 "[ . 1 . 2]" 1
630 1 37 VAL QG 1 38 ASN HA . . 4.200 3.460 2.996 3.908 . 0 0 "[ . 1 . 2]" 1
631 1 37 VAL QG 1 38 ASN QB . . 4.950 4.159 4.024 4.236 . 0 0 "[ . 1 . 2]" 1
632 1 37 VAL QG 1 47 ILE HB . . 5.200 4.602 4.187 5.065 . 0 0 "[ . 1 . 2]" 1
633 1 37 VAL QG 1 47 ILE MD . . 3.420 2.405 2.106 2.782 . 0 0 "[ . 1 . 2]" 1
634 1 37 VAL QG 1 47 ILE HG13 . . 5.210 3.761 3.409 4.228 . 0 0 "[ . 1 . 2]" 1
635 1 37 VAL QG 1 57 VAL H . . 4.490 3.966 3.404 4.272 . 0 0 "[ . 1 . 2]" 1
636 1 37 VAL QG 1 57 VAL HB . . 5.440 4.803 4.367 5.080 . 0 0 "[ . 1 . 2]" 1
637 1 37 VAL QG 1 58 ALA HA . . 4.520 4.832 4.388 5.060 0.540 17 2 "[ . 1 .-+ 2]" 1
638 1 37 VAL QG 1 59 GLN H . . 5.440 4.571 4.086 4.927 . 0 0 "[ . 1 . 2]" 1
639 1 37 VAL QG 1 59 GLN HA . . 5.410 4.141 3.605 4.556 . 0 0 "[ . 1 . 2]" 1
640 1 37 VAL QG 1 59 GLN QE . . 5.220 2.941 2.500 3.417 . 0 0 "[ . 1 . 2]" 1
641 1 37 VAL MG1 1 38 ASN H . . 4.190 2.469 2.196 2.727 . 0 0 "[ . 1 . 2]" 1
642 1 37 VAL MG2 1 38 ASN H . . 4.190 4.164 3.898 4.266 0.076 2 0 "[ . 1 . 2]" 1
643 1 38 ASN H 1 38 ASN HB2 . . 3.890 3.472 3.010 3.615 . 0 0 "[ . 1 . 2]" 1
644 1 38 ASN H 1 38 ASN QB . . 3.400 2.781 2.591 2.862 . 0 0 "[ . 1 . 2]" 1
645 1 38 ASN H 1 38 ASN HB3 . . 3.890 2.931 2.722 3.040 . 0 0 "[ . 1 . 2]" 1
646 1 38 ASN H 1 39 SER H . . 4.740 4.330 4.260 4.425 . 0 0 "[ . 1 . 2]" 1
647 1 38 ASN H 1 56 TRP HA . . 5.470 4.848 4.661 5.140 . 0 0 "[ . 1 . 2]" 1
648 1 38 ASN H 1 83 VAL MG2 . . 4.090 3.335 3.092 3.542 . 0 0 "[ . 1 . 2]" 1
649 1 38 ASN H 1 85 ILE HA . . 4.210 4.163 3.739 4.340 0.130 4 0 "[ . 1 . 2]" 1
650 1 38 ASN H 1 85 ILE QG . . 5.340 4.086 3.601 4.544 . 0 0 "[ . 1 . 2]" 1
651 1 38 ASN HA 1 39 SER H . . 3.040 2.212 2.024 2.314 . 0 0 "[ . 1 . 2]" 1
652 1 38 ASN HA 1 56 TRP HA . . 3.640 2.485 2.158 3.069 . 0 0 "[ . 1 . 2]" 1
653 1 38 ASN HA 1 57 VAL H . . 4.940 3.862 3.592 4.190 . 0 0 "[ . 1 . 2]" 1
654 1 38 ASN HB2 1 39 SER H . . 4.380 4.109 4.002 4.325 . 0 0 "[ . 1 . 2]" 1
655 1 38 ASN HB3 1 39 SER H . . 4.380 4.181 3.939 4.374 . 0 0 "[ . 1 . 2]" 1
656 1 38 ASN QD 1 39 SER H . . 3.300 2.381 1.946 3.358 0.058 16 0 "[ . 1 . 2]" 1
657 1 38 ASN QD 1 56 TRP HA . . 4.440 2.813 2.212 4.320 . 0 0 "[ . 1 . 2]" 1
658 1 38 ASN HD21 1 39 SER H . . 4.020 2.464 1.970 3.712 . 0 0 "[ . 1 . 2]" 1
659 1 38 ASN HD22 1 39 SER H . . 4.020 3.235 2.915 4.070 0.050 3 0 "[ . 1 . 2]" 1
660 1 39 SER H 1 39 SER HB3 . . 3.910 3.386 3.312 3.513 . 0 0 "[ . 1 . 2]" 1
661 1 39 SER H 1 40 TRP H . . 4.320 4.357 4.282 4.380 0.060 5 0 "[ . 1 . 2]" 1
662 1 39 SER H 1 40 TRP HD1 . . 4.610 4.511 3.876 4.641 0.031 17 0 "[ . 1 . 2]" 1
663 1 39 SER H 1 42 LEU MD1 . . 5.460 5.349 5.114 5.541 0.081 3 0 "[ . 1 . 2]" 1
664 1 39 SER H 1 56 TRP HA . . 4.590 3.875 2.897 4.200 . 0 0 "[ . 1 . 2]" 1
665 1 39 SER HB2 1 40 TRP H . . 3.150 2.557 2.280 3.191 0.041 3 0 "[ . 1 . 2]" 1
666 1 39 SER HB2 1 41 ASN H . . 5.390 4.139 3.645 5.271 . 0 0 "[ . 1 . 2]" 1
667 1 39 SER HB2 1 42 LEU MD1 . . 3.230 2.620 2.440 2.815 . 0 0 "[ . 1 . 2]" 1
668 1 39 SER HB2 1 42 LEU HG . . 3.770 2.633 2.293 3.790 0.020 16 0 "[ . 1 . 2]" 1
669 1 39 SER HB2 1 83 VAL MG2 . . 3.910 3.111 2.807 3.417 . 0 0 "[ . 1 . 2]" 1
670 1 39 SER HB3 1 40 TRP H . . 4.250 3.697 3.489 4.021 . 0 0 "[ . 1 . 2]" 1
671 1 39 SER HB3 1 42 LEU MD1 . . 3.570 2.517 2.341 2.798 . 0 0 "[ . 1 . 2]" 1
672 1 39 SER HB3 1 42 LEU HG . . 4.330 3.439 3.076 4.223 . 0 0 "[ . 1 . 2]" 1
673 1 39 SER HB3 1 83 VAL MG2 . . 3.450 2.019 1.882 2.289 . 0 0 "[ . 1 . 2]" 1
674 1 39 SER HB3 1 84 GLU H . . 4.920 4.785 4.640 4.941 0.021 13 0 "[ . 1 . 2]" 1
675 1 40 TRP H 1 40 TRP HD1 . . 4.730 3.309 2.967 4.349 . 0 0 "[ . 1 . 2]" 1
676 1 40 TRP H 1 40 TRP HE1 . . 5.500 5.253 4.779 5.516 0.016 18 0 "[ . 1 . 2]" 1
677 1 40 TRP H 1 41 ASN H . . 4.730 2.151 1.969 2.366 . 0 0 "[ . 1 . 2]" 1
678 1 40 TRP H 1 42 LEU H . . 4.260 3.023 2.834 3.226 . 0 0 "[ . 1 . 2]" 1
679 1 40 TRP H 1 42 LEU MD1 . . 4.560 4.496 4.127 4.585 0.025 10 0 "[ . 1 . 2]" 1
680 1 40 TRP H 1 42 LEU MD2 . . 5.060 4.887 4.714 4.951 . 0 0 "[ . 1 . 2]" 1
681 1 40 TRP H 1 42 LEU HG . . 3.590 3.603 3.407 3.648 0.058 8 0 "[ . 1 . 2]" 1
682 1 40 TRP H 1 83 VAL HB . . 5.330 5.300 5.151 5.387 0.057 14 0 "[ . 1 . 2]" 1
683 1 40 TRP H 1 83 VAL MG2 . . 4.150 4.072 3.876 4.175 0.025 14 0 "[ . 1 . 2]" 1
684 1 40 TRP HA 1 40 TRP HD1 . . 4.300 4.110 2.932 4.311 0.011 3 0 "[ . 1 . 2]" 1
685 1 40 TRP HA 1 41 ASN HA . . 4.830 4.746 4.666 4.822 . 0 0 "[ . 1 . 2]" 1
686 1 40 TRP QB 1 41 ASN H . . 3.350 2.506 2.148 3.221 . 0 0 "[ . 1 . 2]" 1
687 1 40 TRP QB 1 42 LEU H . . 4.740 4.574 4.399 4.807 0.067 16 0 "[ . 1 . 2]" 1
688 1 40 TRP HB2 1 41 ASN H . . 3.910 2.565 2.185 3.386 . 0 0 "[ . 1 . 2]" 1
689 1 40 TRP HB3 1 41 ASN H . . 3.910 3.581 3.161 4.035 0.125 14 0 "[ . 1 . 2]" 1
690 1 41 ASN H 1 41 ASN HA . . 2.890 2.924 2.861 2.978 0.088 10 0 "[ . 1 . 2]" 1
691 1 41 ASN H 1 41 ASN HB2 . . 4.090 3.595 3.546 3.668 . 0 0 "[ . 1 . 2]" 1
692 1 41 ASN H 1 41 ASN HD21 . . 4.710 3.220 2.682 3.651 . 0 0 "[ . 1 . 2]" 1
693 1 41 ASN H 1 41 ASN HD22 . . 4.490 3.269 2.821 3.547 . 0 0 "[ . 1 . 2]" 1
694 1 41 ASN H 1 42 LEU H . . 3.430 2.597 2.100 2.808 . 0 0 "[ . 1 . 2]" 1
695 1 41 ASN H 1 42 LEU HG . . 4.870 4.004 3.516 4.313 . 0 0 "[ . 1 . 2]" 1
696 1 41 ASN H 1 81 GLY HA2 . . 5.500 4.924 4.796 5.089 . 0 0 "[ . 1 . 2]" 1
697 1 41 ASN H 1 83 VAL MG2 . . 5.500 5.385 5.107 5.529 0.029 14 0 "[ . 1 . 2]" 1
698 1 41 ASN HA 1 78 VAL MG2 . . 4.550 4.550 4.407 4.654 0.104 20 0 "[ . 1 . 2]" 1
699 1 41 ASN HB2 1 41 ASN HD21 . . 3.000 2.576 2.358 2.672 . 0 0 "[ . 1 . 2]" 1
700 1 41 ASN HB2 1 41 ASN HD22 . . 3.580 3.644 3.596 3.677 0.097 3 0 "[ . 1 . 2]" 1
701 1 41 ASN HB2 1 42 LEU H . . 4.330 3.939 3.728 4.017 . 0 0 "[ . 1 . 2]" 1
702 1 41 ASN HB2 1 78 VAL MG2 . . 4.380 2.923 2.726 3.161 . 0 0 "[ . 1 . 2]" 1
703 1 41 ASN HB2 1 81 GLY H . . 4.850 4.600 4.407 4.760 . 0 0 "[ . 1 . 2]" 1
704 1 41 ASN HB2 1 81 GLY HA2 . . 3.670 2.554 2.237 2.702 . 0 0 "[ . 1 . 2]" 1
705 1 41 ASN HB2 1 81 GLY HA3 . . 4.190 3.403 3.121 3.692 . 0 0 "[ . 1 . 2]" 1
706 1 41 ASN HB2 1 82 HIS H . . 4.090 3.954 3.654 4.095 0.005 12 0 "[ . 1 . 2]" 1
707 1 41 ASN HB3 1 78 VAL MG2 . . 4.230 3.951 3.640 4.202 . 0 0 "[ . 1 . 2]" 1
708 1 41 ASN HB3 1 81 GLY H . . 5.500 5.565 5.534 5.609 0.109 14 0 "[ . 1 . 2]" 1
709 1 41 ASN HB3 1 81 GLY HA2 . . 4.190 3.382 3.208 3.514 . 0 0 "[ . 1 . 2]" 1
710 1 41 ASN HB3 1 82 HIS H . . 4.340 4.225 4.088 4.371 0.031 13 0 "[ . 1 . 2]" 1
711 1 41 ASN HD21 1 42 LEU H . . 3.800 2.434 2.215 2.758 . 0 0 "[ . 1 . 2]" 1
712 1 41 ASN HD21 1 42 LEU HB2 . . 4.710 4.133 3.812 4.572 . 0 0 "[ . 1 . 2]" 1
713 1 41 ASN HD22 1 42 LEU H . . 3.270 3.326 3.276 3.353 0.083 10 0 "[ . 1 . 2]" 1
714 1 41 ASN HD22 1 42 LEU HA . . 4.300 4.174 3.948 4.329 0.029 15 0 "[ . 1 . 2]" 1
715 1 41 ASN HD22 1 42 LEU HB2 . . 5.080 4.830 4.703 5.016 . 0 0 "[ . 1 . 2]" 1
716 1 42 LEU H 1 42 LEU HB2 . . 3.180 2.470 2.392 2.540 . 0 0 "[ . 1 . 2]" 1
717 1 42 LEU H 1 42 LEU HB3 . . 3.590 3.580 3.539 3.599 0.009 14 0 "[ . 1 . 2]" 1
718 1 42 LEU H 1 42 LEU MD1 . . 3.800 3.798 3.672 3.844 0.044 10 0 "[ . 1 . 2]" 1
719 1 42 LEU H 1 42 LEU MD2 . . 3.710 3.227 3.075 3.394 . 0 0 "[ . 1 . 2]" 1
720 1 42 LEU H 1 42 LEU HG . . 3.310 2.448 2.375 2.574 . 0 0 "[ . 1 . 2]" 1
721 1 42 LEU H 1 43 ASP H . . 4.840 4.600 4.548 4.647 . 0 0 "[ . 1 . 2]" 1
722 1 42 LEU H 1 44 LEU H . . 5.500 5.550 5.517 5.592 0.092 2 0 "[ . 1 . 2]" 1
723 1 42 LEU H 1 53 THR MG . . 5.490 5.077 4.750 5.380 . 0 0 "[ . 1 . 2]" 1
724 1 42 LEU HA 1 42 LEU MD1 . . 3.960 3.796 3.749 3.833 . 0 0 "[ . 1 . 2]" 1
725 1 42 LEU HA 1 42 LEU MD2 . . 3.150 2.124 2.090 2.197 . 0 0 "[ . 1 . 2]" 1
726 1 42 LEU HA 1 43 ASP H . . 2.920 2.119 2.071 2.195 . 0 0 "[ . 1 . 2]" 1
727 1 42 LEU HA 1 44 LEU H . . 3.990 3.752 3.683 3.882 . 0 0 "[ . 1 . 2]" 1
728 1 42 LEU HA 1 75 LYS H . . 5.340 5.146 4.979 5.328 . 0 0 "[ . 1 . 2]" 1
729 1 42 LEU HA 1 81 GLY HA3 . . 4.810 4.737 4.326 4.862 0.052 13 0 "[ . 1 . 2]" 1
730 1 42 LEU HB2 1 42 LEU MD1 . . 3.270 2.392 2.354 2.439 . 0 0 "[ . 1 . 2]" 1
731 1 42 LEU HB2 1 43 ASP H . . 4.240 4.121 4.018 4.232 . 0 0 "[ . 1 . 2]" 1
732 1 42 LEU HB2 1 44 LEU H . . 4.280 3.874 3.799 3.977 . 0 0 "[ . 1 . 2]" 1
733 1 42 LEU HB2 1 53 THR MG . . 4.080 4.074 3.923 4.131 0.051 7 0 "[ . 1 . 2]" 1
734 1 42 LEU HB2 1 83 VAL MG2 . . 4.580 4.543 4.406 4.596 0.016 3 0 "[ . 1 . 2]" 1
735 1 42 LEU HB3 1 43 ASP H . . 3.420 3.046 2.884 3.266 . 0 0 "[ . 1 . 2]" 1
736 1 42 LEU HB3 1 44 LEU H . . 3.060 2.570 2.462 2.683 . 0 0 "[ . 1 . 2]" 1
737 1 42 LEU HB3 1 75 LYS H . . 3.830 3.586 3.365 3.757 . 0 0 "[ . 1 . 2]" 1
738 1 42 LEU MD1 1 43 ASP H . . 4.940 4.666 4.472 4.850 . 0 0 "[ . 1 . 2]" 1
739 1 42 LEU MD1 1 44 LEU H . . 4.520 4.031 3.917 4.157 . 0 0 "[ . 1 . 2]" 1
740 1 42 LEU MD1 1 45 LEU HA . . 4.320 3.719 3.562 3.913 . 0 0 "[ . 1 . 2]" 1
741 1 42 LEU MD1 1 45 LEU HB2 . . 3.190 2.163 2.024 2.377 . 0 0 "[ . 1 . 2]" 1
742 1 42 LEU MD1 1 45 LEU HB3 . . 3.800 3.326 3.101 3.636 . 0 0 "[ . 1 . 2]" 1
743 1 42 LEU MD1 1 53 THR HA . . 4.880 3.768 3.170 4.185 . 0 0 "[ . 1 . 2]" 1
744 1 42 LEU MD1 1 75 LYS H . . 3.730 3.350 3.154 3.639 . 0 0 "[ . 1 . 2]" 1
745 1 42 LEU MD1 1 76 SER HA . . 5.490 5.298 5.051 5.496 0.006 5 0 "[ . 1 . 2]" 1
746 1 42 LEU MD1 1 76 SER QB . . 5.230 4.376 4.146 4.646 . 0 0 "[ . 1 . 2]" 1
747 1 42 LEU MD1 1 83 VAL H . . 5.220 4.759 4.528 4.973 . 0 0 "[ . 1 . 2]" 1
748 1 42 LEU MD1 1 83 VAL HB . . 3.490 2.066 2.025 2.127 . 0 0 "[ . 1 . 2]" 1
749 1 42 LEU MD1 1 84 GLU H . . 4.960 5.020 4.990 5.049 0.089 12 0 "[ . 1 . 2]" 1
750 1 42 LEU MD2 1 43 ASP H . . 3.800 3.478 3.399 3.666 . 0 0 "[ . 1 . 2]" 1
751 1 42 LEU MD2 1 44 LEU H . . 4.370 4.084 3.906 4.298 . 0 0 "[ . 1 . 2]" 1
752 1 42 LEU MD2 1 75 LYS H . . 4.310 3.628 3.350 4.003 . 0 0 "[ . 1 . 2]" 1
753 1 42 LEU MD2 1 81 GLY HA2 . . 3.860 3.886 3.440 3.965 0.105 2 0 "[ . 1 . 2]" 1
754 1 42 LEU MD2 1 81 GLY HA3 . . 3.730 3.547 3.349 3.757 0.027 5 0 "[ . 1 . 2]" 1
755 1 42 LEU MD2 1 82 HIS H . . 3.860 3.724 3.497 3.870 0.010 8 0 "[ . 1 . 2]" 1
756 1 42 LEU MD2 1 83 VAL HB . . 4.550 2.599 2.367 2.833 . 0 0 "[ . 1 . 2]" 1
757 1 42 LEU MD2 1 83 VAL MG2 . . 4.030 3.730 3.529 3.950 . 0 0 "[ . 1 . 2]" 1
758 1 42 LEU HG 1 45 LEU HB2 . . 4.930 4.652 4.542 4.804 . 0 0 "[ . 1 . 2]" 1
759 1 42 LEU HG 1 82 HIS H . . 4.970 4.824 4.632 4.980 0.010 9 0 "[ . 1 . 2]" 1
760 1 42 LEU HG 1 83 VAL HB . . 2.920 3.001 2.965 3.053 0.133 10 0 "[ . 1 . 2]" 1
761 1 43 ASP H 1 43 ASP HB2 . . 3.210 2.314 2.247 2.425 . 0 0 "[ . 1 . 2]" 1
762 1 43 ASP H 1 43 ASP HB3 . . 3.730 3.570 3.537 3.608 . 0 0 "[ . 1 . 2]" 1
763 1 43 ASP H 1 44 LEU H . . 2.850 2.508 2.424 2.611 . 0 0 "[ . 1 . 2]" 1
764 1 43 ASP H 1 75 LYS H . . 4.670 4.574 4.395 4.687 0.017 19 0 "[ . 1 . 2]" 1
765 1 43 ASP H 1 75 LYS QD . . 4.100 3.836 3.642 4.120 0.020 8 0 "[ . 1 . 2]" 1
766 1 43 ASP H 1 76 SER HA . . 3.630 2.606 2.365 2.818 . 0 0 "[ . 1 . 2]" 1
767 1 43 ASP H 1 77 GLY H . . 4.410 4.092 3.757 4.411 0.001 10 0 "[ . 1 . 2]" 1
768 1 43 ASP HA 1 53 THR MG . . 4.150 3.889 3.691 4.170 0.020 14 0 "[ . 1 . 2]" 1
769 1 43 ASP HB2 1 44 LEU H . . 3.300 3.048 2.731 3.305 0.005 13 0 "[ . 1 . 2]" 1
770 1 43 ASP HB2 1 75 LYS HB2 . . 5.130 4.656 4.209 5.097 . 0 0 "[ . 1 . 2]" 1
771 1 43 ASP HB2 1 75 LYS HB3 . . 3.760 2.945 2.469 3.389 . 0 0 "[ . 1 . 2]" 1
772 1 43 ASP HB2 1 75 LYS HE2 . . 4.930 4.320 3.561 4.781 . 0 0 "[ . 1 . 2]" 1
773 1 43 ASP HB2 1 75 LYS QE . . 4.230 3.894 3.429 4.179 . 0 0 "[ . 1 . 2]" 1
774 1 43 ASP HB2 1 75 LYS HE3 . . 4.930 4.550 3.831 4.976 0.046 3 0 "[ . 1 . 2]" 1
775 1 43 ASP HB2 1 75 LYS HG3 . . 4.900 4.642 4.283 4.928 0.028 10 0 "[ . 1 . 2]" 1
776 1 43 ASP HB2 1 76 SER H . . 4.790 4.456 4.167 4.796 0.006 8 0 "[ . 1 . 2]" 1
777 1 43 ASP HB2 1 77 GLY H . . 4.680 4.388 3.806 4.696 0.016 14 0 "[ . 1 . 2]" 1
778 1 43 ASP HB3 1 44 LEU H . . 3.980 3.774 3.559 3.934 . 0 0 "[ . 1 . 2]" 1
779 1 43 ASP HB3 1 44 LEU QB . . 4.030 3.841 3.503 4.073 0.043 10 0 "[ . 1 . 2]" 1
780 1 43 ASP HB3 1 75 LYS HB3 . . 4.460 3.707 3.460 4.012 . 0 0 "[ . 1 . 2]" 1
781 1 43 ASP HB3 1 75 LYS HD2 . . 4.540 2.758 2.499 3.713 . 0 0 "[ . 1 . 2]" 1
782 1 43 ASP HB3 1 75 LYS HD3 . . 4.540 3.359 2.691 4.026 . 0 0 "[ . 1 . 2]" 1
783 1 43 ASP HB3 1 75 LYS HG2 . . 5.500 5.436 5.052 5.552 0.052 7 0 "[ . 1 . 2]" 1
784 1 44 LEU H 1 44 LEU QB . . 3.290 2.863 2.756 2.934 . 0 0 "[ . 1 . 2]" 1
785 1 44 LEU H 1 44 LEU MD1 . . 4.870 4.618 4.423 4.932 0.062 13 0 "[ . 1 . 2]" 1
786 1 44 LEU H 1 44 LEU QD . . 4.100 4.061 3.842 4.144 0.044 2 0 "[ . 1 . 2]" 1
787 1 44 LEU H 1 44 LEU MD2 . . 4.870 4.612 4.015 4.900 0.030 20 0 "[ . 1 . 2]" 1
788 1 44 LEU H 1 45 LEU H . . 4.260 4.141 4.071 4.248 . 0 0 "[ . 1 . 2]" 1
789 1 44 LEU H 1 45 LEU HB2 . . 5.150 4.772 4.613 4.981 . 0 0 "[ . 1 . 2]" 1
790 1 44 LEU H 1 53 THR MG . . 4.320 4.190 3.939 4.357 0.037 18 0 "[ . 1 . 2]" 1
791 1 44 LEU H 1 75 LYS H . . 3.660 3.133 2.928 3.300 . 0 0 "[ . 1 . 2]" 1
792 1 44 LEU H 1 75 LYS HA . . 5.020 4.915 4.778 5.030 0.010 5 0 "[ . 1 . 2]" 1
793 1 44 LEU H 1 75 LYS HB3 . . 3.170 2.948 2.712 3.153 . 0 0 "[ . 1 . 2]" 1
794 1 44 LEU H 1 75 LYS QD . . 5.210 4.006 3.795 4.184 . 0 0 "[ . 1 . 2]" 1
795 1 44 LEU HA 1 44 LEU QD . . 3.050 2.497 2.110 3.221 0.171 7 0 "[ . 1 . 2]" 1
796 1 44 LEU HA 1 44 LEU HG . . 4.230 2.935 2.490 3.214 . 0 0 "[ . 1 . 2]" 1
797 1 44 LEU HA 1 45 LEU H . . 2.800 2.127 2.064 2.176 . 0 0 "[ . 1 . 2]" 1
798 1 44 LEU HA 1 46 GLU H . . 5.500 5.544 5.300 5.597 0.097 2 0 "[ . 1 . 2]" 1
799 1 44 LEU HA 1 53 THR MG . . 3.300 2.753 2.304 3.122 . 0 0 "[ . 1 . 2]" 1
800 1 44 LEU QB 1 44 LEU QD . . 2.660 1.931 1.899 1.961 . 0 0 "[ . 1 . 2]" 1
801 1 44 LEU QB 1 45 LEU H . . 3.830 3.711 3.590 3.776 . 0 0 "[ . 1 . 2]" 1
802 1 44 LEU QB 1 75 LYS H . . 5.180 3.310 2.913 3.611 . 0 0 "[ . 1 . 2]" 1
803 1 44 LEU QB 1 75 LYS HB3 . . 3.430 2.249 2.140 2.415 . 0 0 "[ . 1 . 2]" 1
804 1 44 LEU QB 1 75 LYS QD . . 4.160 3.532 3.190 3.851 . 0 0 "[ . 1 . 2]" 1
805 1 44 LEU HB2 1 75 LYS HB3 . . 4.090 3.315 2.956 3.612 . 0 0 "[ . 1 . 2]" 1
806 1 44 LEU HB3 1 75 LYS HB3 . . 4.090 2.291 2.176 2.474 . 0 0 "[ . 1 . 2]" 1
807 1 44 LEU QD 1 45 LEU H . . 3.270 2.606 2.070 3.332 0.062 15 0 "[ . 1 . 2]" 1
808 1 44 LEU QD 1 45 LEU HB2 . . 5.440 4.752 4.164 5.108 . 0 0 "[ . 1 . 2]" 1
809 1 44 LEU QD 1 46 GLU H . . 4.270 3.451 2.507 3.997 . 0 0 "[ . 1 . 2]" 1
810 1 44 LEU QD 1 46 GLU HB2 . . 3.650 3.344 2.523 3.898 0.248 4 0 "[ . 1 . 2]" 1
811 1 44 LEU QD 1 46 GLU HB3 . . 4.860 4.277 3.867 4.530 . 0 0 "[ . 1 . 2]" 1
812 1 44 LEU QD 1 51 ASP HA . . 4.390 4.067 3.381 5.021 0.631 7 1 "[ . + 1 . 2]" 1
813 1 44 LEU QD 1 52 TYR H . . 4.610 4.586 3.893 5.518 0.908 7 7 "[ . +* 1* - ** *2]" 1
814 1 44 LEU QD 1 53 THR H . . 4.680 4.458 3.652 5.538 0.858 7 7 "[ . +* 1* - ** *2]" 1
815 1 44 LEU QD 1 75 LYS HB3 . . 4.610 3.637 3.331 3.925 . 0 0 "[ . 1 . 2]" 1
816 1 44 LEU QD 1 75 LYS QD . . 4.070 4.357 3.882 4.652 0.582 18 3 "[ . 1 . *+ -]" 1
817 1 44 LEU MD1 1 45 LEU H . . 4.600 2.935 2.074 4.178 . 0 0 "[ . 1 . 2]" 1
818 1 44 LEU MD1 1 46 GLU H . . 5.390 4.383 4.077 4.719 . 0 0 "[ . 1 . 2]" 1
819 1 44 LEU MD1 1 46 GLU HB2 . . 4.930 4.098 3.477 4.494 . 0 0 "[ . 1 . 2]" 1
820 1 44 LEU MD1 1 75 LYS H . . 5.500 5.384 4.982 5.534 0.034 10 0 "[ . 1 . 2]" 1
821 1 44 LEU MD2 1 45 LEU H . . 4.600 4.050 3.261 4.547 . 0 0 "[ . 1 . 2]" 1
822 1 44 LEU MD2 1 46 GLU H . . 5.390 3.864 2.520 4.775 . 0 0 "[ . 1 . 2]" 1
823 1 44 LEU MD2 1 46 GLU HB2 . . 4.930 3.614 2.566 4.286 . 0 0 "[ . 1 . 2]" 1
824 1 44 LEU MD2 1 75 LYS H . . 5.500 4.236 3.059 5.029 . 0 0 "[ . 1 . 2]" 1
825 1 44 LEU HG 1 45 LEU H . . 3.410 2.846 2.493 3.196 . 0 0 "[ . 1 . 2]" 1
826 1 44 LEU HG 1 46 GLU H . . 4.440 3.607 3.005 3.999 . 0 0 "[ . 1 . 2]" 1
827 1 44 LEU HG 1 46 GLU HB2 . . 5.170 4.105 3.533 4.537 . 0 0 "[ . 1 . 2]" 1
828 1 45 LEU H 1 45 LEU HB2 . . 3.800 3.383 3.311 3.472 . 0 0 "[ . 1 . 2]" 1
829 1 45 LEU H 1 45 LEU HB3 . . 3.630 2.768 2.630 2.880 . 0 0 "[ . 1 . 2]" 1
830 1 45 LEU H 1 45 LEU MD1 . . 4.850 4.520 4.449 4.626 . 0 0 "[ . 1 . 2]" 1
831 1 45 LEU H 1 45 LEU MD2 . . 4.710 4.578 4.369 4.706 . 0 0 "[ . 1 . 2]" 1
832 1 45 LEU H 1 46 GLU H . . 3.960 3.978 3.895 4.027 0.067 17 0 "[ . 1 . 2]" 1
833 1 45 LEU H 1 51 ASP HA . . 4.470 4.433 4.240 4.517 0.047 8 0 "[ . 1 . 2]" 1
834 1 45 LEU H 1 53 THR HA . . 4.030 3.538 3.142 3.912 . 0 0 "[ . 1 . 2]" 1
835 1 45 LEU H 1 53 THR HB . . 4.410 1.825 1.708 1.939 . 0 0 "[ . 1 . 2]" 1
836 1 45 LEU H 1 53 THR MG . . 3.560 3.411 3.250 3.567 0.007 9 0 "[ . 1 . 2]" 1
837 1 45 LEU H 1 54 ASN H . . 5.480 5.570 5.524 5.610 0.130 17 0 "[ . 1 . 2]" 1
838 1 45 LEU HA 1 45 LEU MD1 . . 3.270 2.332 2.234 2.518 . 0 0 "[ . 1 . 2]" 1
839 1 45 LEU HA 1 45 LEU MD2 . . 4.090 3.913 3.816 3.997 . 0 0 "[ . 1 . 2]" 1
840 1 45 LEU HA 1 45 LEU HG . . 3.990 3.194 2.969 3.371 . 0 0 "[ . 1 . 2]" 1
841 1 45 LEU HA 1 46 GLU H . . 2.700 2.144 2.111 2.180 . 0 0 "[ . 1 . 2]" 1
842 1 45 LEU HA 1 46 GLU HA . . 4.440 4.449 4.419 4.461 0.021 6 0 "[ . 1 . 2]" 1
843 1 45 LEU HB2 1 52 TYR H . . 5.470 5.218 4.897 5.412 . 0 0 "[ . 1 . 2]" 1
844 1 45 LEU HB2 1 53 THR H . . 5.500 4.907 4.706 5.202 . 0 0 "[ . 1 . 2]" 1
845 1 45 LEU HB2 1 53 THR HA . . 3.990 3.291 2.931 3.527 . 0 0 "[ . 1 . 2]" 1
846 1 45 LEU HB2 1 75 LYS H . . 4.450 4.418 4.197 4.500 0.050 11 0 "[ . 1 . 2]" 1
847 1 45 LEU HB3 1 45 LEU MD1 . . 3.540 3.233 3.187 3.264 . 0 0 "[ . 1 . 2]" 1
848 1 45 LEU HB3 1 45 LEU MD2 . . 3.410 2.262 2.156 2.363 . 0 0 "[ . 1 . 2]" 1
849 1 45 LEU HB3 1 53 THR H . . 4.050 3.256 3.036 3.546 . 0 0 "[ . 1 . 2]" 1
850 1 45 LEU HB3 1 53 THR HA . . 3.280 2.113 2.025 2.199 . 0 0 "[ . 1 . 2]" 1
851 1 45 LEU MD1 1 46 GLU H . . 3.250 2.815 2.423 3.249 . 0 0 "[ . 1 . 2]" 1
852 1 45 LEU MD1 1 47 ILE HG12 . . 4.140 4.102 3.882 4.149 0.009 7 0 "[ . 1 . 2]" 1
853 1 45 LEU MD1 1 74 TYR HA . . 3.970 3.113 2.797 3.347 . 0 0 "[ . 1 . 2]" 1
854 1 45 LEU MD1 1 74 TYR HB2 . . 5.400 4.827 4.593 5.001 . 0 0 "[ . 1 . 2]" 1
855 1 45 LEU MD1 1 74 TYR HB3 . . 4.010 3.973 3.787 4.038 0.028 5 0 "[ . 1 . 2]" 1
856 1 45 LEU MD1 1 74 TYR QD . . 4.090 2.881 2.573 3.106 . 0 0 "[ . 1 . 2]" 1
857 1 45 LEU MD1 1 75 LYS H . . 5.100 4.623 4.313 4.852 . 0 0 "[ . 1 . 2]" 1
858 1 45 LEU MD2 1 46 GLU H . . 5.150 4.829 4.694 4.948 . 0 0 "[ . 1 . 2]" 1
859 1 45 LEU MD2 1 52 TYR H . . 4.620 4.188 3.647 4.652 0.032 19 0 "[ . 1 . 2]" 1
860 1 45 LEU MD2 1 52 TYR HB2 . . 3.990 3.169 2.469 3.809 . 0 0 "[ . 1 . 2]" 1
861 1 45 LEU MD2 1 52 TYR HB3 . . 4.390 3.755 2.998 4.393 0.003 14 0 "[ . 1 . 2]" 1
862 1 45 LEU MD2 1 53 THR HA . . 4.400 3.005 2.552 3.328 . 0 0 "[ . 1 . 2]" 1
863 1 45 LEU HG 1 46 GLU H . . 4.070 3.548 3.222 3.866 . 0 0 "[ . 1 . 2]" 1
864 1 45 LEU HG 1 47 ILE MD . . 4.090 2.347 2.260 2.550 . 0 0 "[ . 1 . 2]" 1
865 1 45 LEU HG 1 51 ASP HA . . 5.290 5.018 4.761 5.291 0.001 15 0 "[ . 1 . 2]" 1
866 1 45 LEU HG 1 52 TYR H . . 5.380 3.759 3.531 3.971 . 0 0 "[ . 1 . 2]" 1
867 1 45 LEU HG 1 73 HIS H . . 5.500 5.075 4.712 5.388 . 0 0 "[ . 1 . 2]" 1
868 1 46 GLU H 1 46 GLU HB2 . . 3.340 2.627 2.533 2.717 . 0 0 "[ . 1 . 2]" 1
869 1 46 GLU H 1 46 GLU HB3 . . 3.840 3.794 3.726 3.847 0.007 4 0 "[ . 1 . 2]" 1
870 1 46 GLU H 1 73 HIS H . . 3.360 3.015 2.940 3.087 . 0 0 "[ . 1 . 2]" 1
871 1 46 GLU H 1 73 HIS HB2 . . 4.340 4.389 4.348 4.454 0.114 13 0 "[ . 1 . 2]" 1
872 1 46 GLU H 1 73 HIS HB3 . . 4.450 2.781 2.648 3.261 . 0 0 "[ . 1 . 2]" 1
873 1 46 GLU HA 1 47 ILE H . . 2.720 2.210 2.127 2.242 . 0 0 "[ . 1 . 2]" 1
874 1 46 GLU HA 1 49 GLY H . . 5.500 4.956 4.694 5.302 . 0 0 "[ . 1 . 2]" 1
875 1 46 GLU HA 1 50 THR H . . 4.250 4.228 4.154 4.282 0.032 20 0 "[ . 1 . 2]" 1
876 1 46 GLU HA 1 51 ASP H . . 4.610 4.433 4.320 4.564 . 0 0 "[ . 1 . 2]" 1
877 1 46 GLU HA 1 51 ASP HA . . 3.610 2.274 2.165 2.437 . 0 0 "[ . 1 . 2]" 1
878 1 46 GLU HA 1 52 TYR H . . 3.370 3.067 2.978 3.152 . 0 0 "[ . 1 . 2]" 1
879 1 46 GLU HA 1 52 TYR HB2 . . 4.400 4.402 4.290 4.453 0.053 7 0 "[ . 1 . 2]" 1
880 1 46 GLU HA 1 52 TYR QD . . 4.290 3.540 2.925 4.014 . 0 0 "[ . 1 . 2]" 1
881 1 46 GLU HA 1 53 THR H . . 5.050 4.979 4.804 5.102 0.052 3 0 "[ . 1 . 2]" 1
882 1 46 GLU HB2 1 47 ILE H . . 4.050 4.022 3.887 4.094 0.044 18 0 "[ . 1 . 2]" 1
883 1 46 GLU HB2 1 47 ILE MD . . 5.100 5.099 5.042 5.126 0.026 18 0 "[ . 1 . 2]" 1
884 1 46 GLU HB2 1 49 GLY H . . 4.880 4.186 3.847 4.768 . 0 0 "[ . 1 . 2]" 1
885 1 46 GLU HB2 1 50 THR H . . 5.010 4.966 4.778 5.054 0.044 18 0 "[ . 1 . 2]" 1
886 1 46 GLU HB2 1 51 ASP HA . . 4.410 4.492 4.455 4.511 0.101 11 0 "[ . 1 . 2]" 1
887 1 46 GLU HB2 1 72 ILE MG . . 5.500 5.457 5.297 5.546 0.046 16 0 "[ . 1 . 2]" 1
888 1 46 GLU HB2 1 73 HIS H . . 4.190 3.804 3.613 3.984 . 0 0 "[ . 1 . 2]" 1
889 1 46 GLU HB2 1 73 HIS HB2 . . 3.790 3.615 3.357 3.790 . 0 0 "[ . 1 . 2]" 1
890 1 46 GLU HB2 1 73 HIS HB3 . . 4.390 2.297 2.075 2.675 . 0 0 "[ . 1 . 2]" 1
891 1 46 GLU HB3 1 47 ILE H . . 3.410 2.855 2.704 2.961 . 0 0 "[ . 1 . 2]" 1
892 1 46 GLU HB3 1 49 GLY H . . 4.050 2.993 2.660 3.496 . 0 0 "[ . 1 . 2]" 1
893 1 46 GLU HB3 1 50 THR H . . 4.220 3.231 3.024 3.334 . 0 0 "[ . 1 . 2]" 1
894 1 46 GLU HB3 1 51 ASP HA . . 4.230 3.889 3.716 4.027 . 0 0 "[ . 1 . 2]" 1
895 1 46 GLU HB3 1 52 TYR H . . 5.440 5.422 5.330 5.481 0.041 17 0 "[ . 1 . 2]" 1
896 1 46 GLU HB3 1 73 HIS H . . 5.270 4.724 4.535 4.854 . 0 0 "[ . 1 . 2]" 1
897 1 46 GLU HB3 1 73 HIS HB2 . . 4.870 4.827 4.627 4.917 0.047 17 0 "[ . 1 . 2]" 1
898 1 46 GLU QG 1 50 THR H . . 4.250 4.214 4.005 4.277 0.027 4 0 "[ . 1 . 2]" 1
899 1 47 ILE H 1 47 ILE HB . . 3.350 2.833 2.742 2.937 . 0 0 "[ . 1 . 2]" 1
900 1 47 ILE H 1 47 ILE MD . . 3.910 2.683 2.510 2.837 . 0 0 "[ . 1 . 2]" 1
901 1 47 ILE H 1 47 ILE HG12 . . 4.670 4.597 4.482 4.696 0.026 4 0 "[ . 1 . 2]" 1
902 1 47 ILE H 1 47 ILE HG13 . . 4.060 3.667 3.559 3.808 . 0 0 "[ . 1 . 2]" 1
903 1 47 ILE H 1 47 ILE MG . . 4.090 3.946 3.904 3.993 . 0 0 "[ . 1 . 2]" 1
904 1 47 ILE H 1 48 ASN H . . 4.230 4.146 4.089 4.188 . 0 0 "[ . 1 . 2]" 1
905 1 47 ILE H 1 48 ASN HA . . 5.500 5.561 5.536 5.595 0.095 13 0 "[ . 1 . 2]" 1
906 1 47 ILE H 1 49 GLY H . . 4.100 3.740 3.503 3.945 . 0 0 "[ . 1 . 2]" 1
907 1 47 ILE H 1 50 THR H . . 3.410 2.803 2.666 2.954 . 0 0 "[ . 1 . 2]" 1
908 1 47 ILE H 1 50 THR HB . . 4.140 3.764 3.236 4.149 0.009 5 0 "[ . 1 . 2]" 1
909 1 47 ILE H 1 51 ASP HA . . 4.090 3.838 3.727 3.959 . 0 0 "[ . 1 . 2]" 1
910 1 47 ILE H 1 52 TYR QD . . 3.870 3.095 2.643 3.379 . 0 0 "[ . 1 . 2]" 1
911 1 47 ILE HA 1 47 ILE HG12 . . 4.100 3.538 3.492 3.589 . 0 0 "[ . 1 . 2]" 1
912 1 47 ILE HA 1 47 ILE HG13 . . 3.620 2.451 2.351 2.523 . 0 0 "[ . 1 . 2]" 1
913 1 47 ILE HA 1 47 ILE MG . . 3.360 2.338 2.284 2.375 . 0 0 "[ . 1 . 2]" 1
914 1 47 ILE HA 1 48 ASN H . . 2.760 2.093 2.040 2.155 . 0 0 "[ . 1 . 2]" 1
915 1 47 ILE HA 1 49 GLY H . . 4.200 3.673 3.497 3.925 . 0 0 "[ . 1 . 2]" 1
916 1 47 ILE HA 1 50 THR H . . 4.790 4.487 4.265 4.650 . 0 0 "[ . 1 . 2]" 1
917 1 47 ILE HA 1 52 TYR QD . . 5.500 5.290 4.921 5.519 0.019 2 0 "[ . 1 . 2]" 1
918 1 47 ILE HA 1 71 TYR H . . 4.910 4.775 4.556 4.940 0.030 2 0 "[ . 1 . 2]" 1
919 1 47 ILE HA 1 72 ILE HG12 . . 4.610 3.732 3.567 4.009 . 0 0 "[ . 1 . 2]" 1
920 1 47 ILE HA 1 72 ILE MG . . 4.590 3.618 3.455 3.802 . 0 0 "[ . 1 . 2]" 1
921 1 47 ILE HA 1 73 HIS H . . 4.380 3.719 3.600 3.839 . 0 0 "[ . 1 . 2]" 1
922 1 47 ILE HB 1 47 ILE MD . . 3.420 2.292 2.265 2.319 . 0 0 "[ . 1 . 2]" 1
923 1 47 ILE HB 1 48 ASN H . . 4.550 4.284 4.225 4.345 . 0 0 "[ . 1 . 2]" 1
924 1 47 ILE HB 1 52 TYR QD . . 3.270 3.239 3.058 3.321 0.051 18 0 "[ . 1 . 2]" 1
925 1 47 ILE HB 1 62 ILE MD . . 3.500 2.299 2.128 2.478 . 0 0 "[ . 1 . 2]" 1
926 1 47 ILE MD 1 52 TYR H . . 4.200 3.716 3.480 3.909 . 0 0 "[ . 1 . 2]" 1
927 1 47 ILE MD 1 52 TYR HB2 . . 3.930 2.603 2.376 2.802 . 0 0 "[ . 1 . 2]" 1
928 1 47 ILE MD 1 52 TYR QD . . 3.840 2.157 2.096 2.273 . 0 0 "[ . 1 . 2]" 1
929 1 47 ILE MD 1 62 ILE MD . . 3.180 2.779 2.377 3.175 . 0 0 "[ . 1 . 2]" 1
930 1 47 ILE MD 1 72 ILE MG . . 3.790 3.188 2.986 3.405 . 0 0 "[ . 1 . 2]" 1
931 1 47 ILE HG12 1 47 ILE MG . . 3.440 2.161 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
932 1 47 ILE HG12 1 52 TYR QD . . 4.740 4.682 4.577 4.742 0.002 2 0 "[ . 1 . 2]" 1
933 1 47 ILE HG12 1 72 ILE HA . . 4.570 4.304 4.130 4.502 . 0 0 "[ . 1 . 2]" 1
934 1 47 ILE HG12 1 72 ILE HG12 . . 4.190 2.978 2.740 3.451 . 0 0 "[ . 1 . 2]" 1
935 1 47 ILE HG12 1 72 ILE MG . . 4.210 3.099 2.926 3.204 . 0 0 "[ . 1 . 2]" 1
936 1 47 ILE HG12 1 73 HIS H . . 5.500 5.461 5.249 5.521 0.021 19 0 "[ . 1 . 2]" 1
937 1 47 ILE HG13 1 48 ASN H . . 5.120 4.490 4.318 4.615 . 0 0 "[ . 1 . 2]" 1
938 1 47 ILE HG13 1 72 ILE HA . . 4.530 2.952 2.738 3.193 . 0 0 "[ . 1 . 2]" 1
939 1 47 ILE MG 1 48 ASN H . . 3.330 2.853 2.744 2.948 . 0 0 "[ . 1 . 2]" 1
940 1 47 ILE MG 1 48 ASN HA . . 4.600 4.249 4.148 4.355 . 0 0 "[ . 1 . 2]" 1
941 1 47 ILE MG 1 48 ASN QB . . 4.040 3.085 2.781 3.645 . 0 0 "[ . 1 . 2]" 1
942 1 47 ILE MG 1 49 GLY H . . 5.080 4.762 4.653 4.860 . 0 0 "[ . 1 . 2]" 1
943 1 47 ILE MG 1 62 ILE MD . . 4.050 2.173 2.065 2.276 . 0 0 "[ . 1 . 2]" 1
944 1 47 ILE MG 1 62 ILE HG13 . . 4.460 4.465 4.425 4.492 0.032 7 0 "[ . 1 . 2]" 1
945 1 47 ILE MG 1 70 TRP HA . . 4.720 4.153 3.974 4.343 . 0 0 "[ . 1 . 2]" 1
946 1 47 ILE MG 1 70 TRP HB2 . . 4.170 3.925 3.681 4.180 0.010 15 0 "[ . 1 . 2]" 1
947 1 47 ILE MG 1 70 TRP HB3 . . 3.740 2.657 2.421 2.913 . 0 0 "[ . 1 . 2]" 1
948 1 47 ILE MG 1 70 TRP HD1 . . 3.360 2.739 2.446 3.097 . 0 0 "[ . 1 . 2]" 1
949 1 47 ILE MG 1 71 TYR H . . 4.450 3.759 3.431 4.069 . 0 0 "[ . 1 . 2]" 1
950 1 47 ILE MG 1 71 TYR HA . . 5.220 5.015 4.812 5.230 0.010 6 0 "[ . 1 . 2]" 1
951 1 47 ILE MG 1 72 ILE HA . . 4.260 3.444 3.217 3.593 . 0 0 "[ . 1 . 2]" 1
952 1 47 ILE MG 1 72 ILE HG13 . . 3.790 3.293 2.766 3.715 . 0 0 "[ . 1 . 2]" 1
953 1 48 ASN H 1 48 ASN QB . . 3.820 3.161 2.864 3.453 . 0 0 "[ . 1 . 2]" 1
954 1 48 ASN H 1 49 GLY H . . 3.620 2.765 2.683 2.826 . 0 0 "[ . 1 . 2]" 1
955 1 48 ASN H 1 49 GLY HA2 . . 5.350 5.054 4.973 5.103 . 0 0 "[ . 1 . 2]" 1
956 1 48 ASN H 1 49 GLY QA . . 4.620 4.639 4.585 4.668 0.048 1 0 "[ . 1 . 2]" 1
957 1 48 ASN H 1 49 GLY HA3 . . 5.350 5.400 5.373 5.416 0.066 2 0 "[ . 1 . 2]" 1
958 1 48 ASN H 1 50 THR H . . 4.630 4.294 4.079 4.417 . 0 0 "[ . 1 . 2]" 1
959 1 48 ASN H 1 70 TRP HB3 . . 5.320 4.699 4.337 5.080 . 0 0 "[ . 1 . 2]" 1
960 1 48 ASN H 1 71 TYR H . . 3.860 3.370 3.099 3.630 . 0 0 "[ . 1 . 2]" 1
961 1 48 ASN H 1 71 TYR HB2 . . 3.840 3.266 2.482 3.883 0.043 11 0 "[ . 1 . 2]" 1
962 1 48 ASN H 1 71 TYR HB3 . . 5.230 4.832 4.136 5.252 0.022 16 0 "[ . 1 . 2]" 1
963 1 48 ASN H 1 71 TYR QD . . 4.750 3.667 3.023 4.233 . 0 0 "[ . 1 . 2]" 1
964 1 48 ASN H 1 72 ILE HA . . 4.100 3.718 3.490 3.978 . 0 0 "[ . 1 . 2]" 1
965 1 48 ASN H 1 72 ILE HG13 . . 5.320 5.053 4.664 5.334 0.014 9 0 "[ . 1 . 2]" 1
966 1 48 ASN H 1 72 ILE MG . . 5.500 5.149 4.941 5.362 . 0 0 "[ . 1 . 2]" 1
967 1 48 ASN HA 1 49 GLY H . . 3.230 2.755 2.647 2.905 . 0 0 "[ . 1 . 2]" 1
968 1 48 ASN QB 1 49 GLY H . . 4.170 3.975 3.875 4.041 . 0 0 "[ . 1 . 2]" 1
969 1 48 ASN QB 1 50 THR H . . 4.300 4.051 3.486 4.349 0.049 11 0 "[ . 1 . 2]" 1
970 1 49 GLY H 1 50 THR H . . 3.450 2.655 2.542 2.763 . 0 0 "[ . 1 . 2]" 1
971 1 49 GLY H 1 50 THR HA . . 5.140 5.217 5.187 5.248 0.108 18 0 "[ . 1 . 2]" 1
972 1 49 GLY H 1 71 TYR QD . . 4.830 3.989 3.404 4.620 . 0 0 "[ . 1 . 2]" 1
973 1 50 THR H 1 50 THR HB . . 3.220 2.822 2.534 3.045 . 0 0 "[ . 1 . 2]" 1
974 1 50 THR H 1 50 THR MG . . 4.110 3.917 3.787 4.056 . 0 0 "[ . 1 . 2]" 1
975 1 50 THR H 1 51 ASP H . . 4.310 4.389 4.333 4.429 0.119 15 0 "[ . 1 . 2]" 1
976 1 50 THR HA 1 50 THR MG . . 3.130 2.303 2.202 2.438 . 0 0 "[ . 1 . 2]" 1
977 1 50 THR HA 1 51 ASP H . . 2.540 2.122 2.060 2.187 . 0 0 "[ . 1 . 2]" 1
978 1 50 THR HA 1 51 ASP QB . . 4.620 4.434 4.198 4.636 0.016 1 0 "[ . 1 . 2]" 1
979 1 50 THR HB 1 51 ASP H . . 4.250 4.079 3.828 4.225 . 0 0 "[ . 1 . 2]" 1
980 1 50 THR MG 1 51 ASP H . . 3.260 2.718 2.369 3.109 . 0 0 "[ . 1 . 2]" 1
981 1 50 THR MG 1 51 ASP QB . . 5.200 4.613 4.418 5.054 . 0 0 "[ . 1 . 2]" 1
982 1 51 ASP H 1 51 ASP HB2 . . 3.670 3.654 3.587 3.695 0.025 17 0 "[ . 1 . 2]" 1
983 1 51 ASP H 1 51 ASP QB . . 2.830 2.769 2.596 2.870 0.040 2 0 "[ . 1 . 2]" 1
984 1 51 ASP H 1 51 ASP HB3 . . 3.670 2.871 2.658 3.002 . 0 0 "[ . 1 . 2]" 1
985 1 51 ASP H 1 52 TYR H . . 4.740 4.596 4.513 4.642 . 0 0 "[ . 1 . 2]" 1
986 1 51 ASP HA 1 52 TYR H . . 2.760 2.099 2.018 2.156 . 0 0 "[ . 1 . 2]" 1
987 1 51 ASP HA 1 53 THR H . . 4.180 3.737 3.573 3.829 . 0 0 "[ . 1 . 2]" 1
988 1 51 ASP QB 1 53 THR H . . 4.390 3.014 2.725 3.264 . 0 0 "[ . 1 . 2]" 1
989 1 51 ASP HB2 1 52 TYR H . . 4.520 3.054 2.867 3.329 . 0 0 "[ . 1 . 2]" 1
990 1 51 ASP HB2 1 53 THR H . . 5.170 3.064 2.751 3.354 . 0 0 "[ . 1 . 2]" 1
991 1 51 ASP HB3 1 52 TYR H . . 4.520 3.869 3.676 4.057 . 0 0 "[ . 1 . 2]" 1
992 1 51 ASP HB3 1 53 THR H . . 5.170 4.501 4.289 4.672 . 0 0 "[ . 1 . 2]" 1
993 1 52 TYR H 1 52 TYR HB2 . . 3.530 2.765 2.676 2.823 . 0 0 "[ . 1 . 2]" 1
994 1 52 TYR H 1 52 TYR HB3 . . 4.030 3.851 3.800 3.888 . 0 0 "[ . 1 . 2]" 1
995 1 52 TYR H 1 52 TYR QD . . 4.200 3.356 3.029 3.635 . 0 0 "[ . 1 . 2]" 1
996 1 52 TYR H 1 53 THR H . . 3.130 2.194 2.067 2.321 . 0 0 "[ . 1 . 2]" 1
997 1 52 TYR H 1 53 THR HA . . 4.740 4.209 4.046 4.378 . 0 0 "[ . 1 . 2]" 1
998 1 52 TYR H 1 53 THR HB . . 4.540 3.837 3.694 4.013 . 0 0 "[ . 1 . 2]" 1
999 1 52 TYR HA 1 53 THR H . . 3.090 3.070 2.958 3.135 0.045 11 0 "[ . 1 . 2]" 1
1000 1 52 TYR HA 1 54 ASN H . . 4.100 3.787 3.606 3.937 . 0 0 "[ . 1 . 2]" 1
1001 1 52 TYR HA 1 55 VAL H . . 3.690 3.755 3.467 3.802 0.112 17 0 "[ . 1 . 2]" 1
1002 1 52 TYR HA 1 55 VAL MG1 . . 3.650 2.266 2.147 2.707 . 0 0 "[ . 1 . 2]" 1
1003 1 52 TYR HA 1 55 VAL MG2 . . 4.940 4.947 4.813 5.002 0.062 10 0 "[ . 1 . 2]" 1
1004 1 52 TYR HB2 1 53 THR H . . 4.270 4.018 3.946 4.170 . 0 0 "[ . 1 . 2]" 1
1005 1 52 TYR HB2 1 57 VAL HB . . 4.330 4.374 4.343 4.419 0.089 14 0 "[ . 1 . 2]" 1
1006 1 52 TYR HB2 1 57 VAL QG . . 3.940 3.196 2.993 3.414 . 0 0 "[ . 1 . 2]" 1
1007 1 52 TYR HB3 1 53 THR H . . 4.680 4.435 4.363 4.514 . 0 0 "[ . 1 . 2]" 1
1008 1 52 TYR HB3 1 55 VAL MG1 . . 3.620 2.674 2.293 3.634 0.014 3 0 "[ . 1 . 2]" 1
1009 1 52 TYR HB3 1 55 VAL MG2 . . 5.120 4.950 4.790 5.106 . 0 0 "[ . 1 . 2]" 1
1010 1 52 TYR HB3 1 57 VAL MG1 . . 4.690 3.071 2.812 3.355 . 0 0 "[ . 1 . 2]" 1
1011 1 52 TYR HB3 1 57 VAL QG . . 3.870 3.023 2.774 3.270 . 0 0 "[ . 1 . 2]" 1
1012 1 52 TYR HB3 1 57 VAL MG2 . . 4.690 4.534 4.246 4.706 0.016 12 0 "[ . 1 . 2]" 1
1013 1 52 TYR QD 1 53 THR H . . 4.940 4.953 4.886 4.986 0.046 2 0 "[ . 1 . 2]" 1
1014 1 52 TYR QD 1 57 VAL QG . . 3.810 2.926 2.728 3.125 . 0 0 "[ . 1 . 2]" 1
1015 1 53 THR H 1 53 THR HB . . 3.080 2.220 2.136 2.367 . 0 0 "[ . 1 . 2]" 1
1016 1 53 THR H 1 53 THR MG . . 3.490 2.907 2.820 3.120 . 0 0 "[ . 1 . 2]" 1
1017 1 53 THR H 1 54 ASN H . . 4.300 3.017 2.846 3.145 . 0 0 "[ . 1 . 2]" 1
1018 1 53 THR HA 1 53 THR MG . . 3.300 3.209 3.188 3.229 . 0 0 "[ . 1 . 2]" 1
1019 1 53 THR HA 1 54 ASN H . . 3.560 3.436 3.397 3.505 . 0 0 "[ . 1 . 2]" 1
1020 1 53 THR HA 1 54 ASN HA . . 4.710 4.595 4.467 4.709 . 0 0 "[ . 1 . 2]" 1
1021 1 53 THR HA 1 55 VAL H . . 4.720 4.003 3.802 4.269 . 0 0 "[ . 1 . 2]" 1
1022 1 53 THR MG 1 54 ASN H . . 3.230 2.524 2.392 2.643 . 0 0 "[ . 1 . 2]" 1
1023 1 53 THR MG 1 54 ASN HA . . 4.410 3.592 3.314 3.896 . 0 0 "[ . 1 . 2]" 1
1024 1 53 THR MG 1 54 ASN QB . . 3.830 3.014 2.446 3.744 . 0 0 "[ . 1 . 2]" 1
1025 1 53 THR MG 1 55 VAL H . . 4.540 4.553 4.473 4.581 0.041 20 0 "[ . 1 . 2]" 1
1026 1 54 ASN H 1 54 ASN QB . . 3.830 2.443 2.211 2.645 . 0 0 "[ . 1 . 2]" 1
1027 1 54 ASN H 1 55 VAL H . . 3.380 2.565 2.359 2.849 . 0 0 "[ . 1 . 2]" 1
1028 1 54 ASN QB 1 55 VAL H . . 3.880 3.664 3.346 3.900 0.020 9 0 "[ . 1 . 2]" 1
1029 1 54 ASN QB 1 55 VAL HB . . 4.390 3.818 2.967 4.416 0.026 9 0 "[ . 1 . 2]" 1
1030 1 55 VAL H 1 55 VAL HB . . 3.910 3.075 2.928 3.460 . 0 0 "[ . 1 . 2]" 1
1031 1 55 VAL H 1 55 VAL MG1 . . 2.930 2.462 2.332 2.627 . 0 0 "[ . 1 . 2]" 1
1032 1 55 VAL H 1 55 VAL MG2 . . 4.170 4.045 3.982 4.081 . 0 0 "[ . 1 . 2]" 1
1033 1 55 VAL HA 1 55 VAL MG1 . . 3.650 3.234 3.211 3.268 . 0 0 "[ . 1 . 2]" 1
1034 1 55 VAL HA 1 55 VAL MG2 . . 3.190 2.273 2.227 2.405 . 0 0 "[ . 1 . 2]" 1
1035 1 55 VAL HA 1 56 TRP H . . 2.720 2.608 2.016 2.771 0.051 5 0 "[ . 1 . 2]" 1
1036 1 55 VAL HB 1 56 TRP H . . 3.990 3.771 3.653 4.053 0.063 3 0 "[ . 1 . 2]" 1
1037 1 55 VAL MG1 1 56 TRP H . . 4.070 2.806 2.497 4.088 0.018 16 0 "[ . 1 . 2]" 1
1038 1 55 VAL MG1 1 57 VAL HB . . 4.350 3.468 2.915 4.348 . 0 0 "[ . 1 . 2]" 1
1039 1 55 VAL MG1 1 57 VAL QG . . 4.890 3.810 3.405 4.478 . 0 0 "[ . 1 . 2]" 1
1040 1 55 VAL MG2 1 56 TRP HD1 . . 4.460 3.079 2.788 3.500 . 0 0 "[ . 1 . 2]" 1
1041 1 56 TRP H 1 56 TRP HB2 . . 3.800 3.773 3.529 3.869 0.069 5 0 "[ . 1 . 2]" 1
1042 1 56 TRP H 1 56 TRP QB . . 3.010 2.861 2.325 3.027 0.017 11 0 "[ . 1 . 2]" 1
1043 1 56 TRP H 1 56 TRP HB3 . . 3.800 2.968 2.358 3.165 . 0 0 "[ . 1 . 2]" 1
1044 1 56 TRP H 1 56 TRP HD1 . . 4.290 2.607 2.224 3.040 . 0 0 "[ . 1 . 2]" 1
1045 1 56 TRP HA 1 56 TRP HE3 . . 4.520 4.274 4.130 4.384 . 0 0 "[ . 1 . 2]" 1
1046 1 56 TRP HA 1 57 VAL H . . 2.930 2.277 2.207 2.345 . 0 0 "[ . 1 . 2]" 1
1047 1 56 TRP HA 1 57 VAL QG . . 4.370 3.771 3.566 4.050 . 0 0 "[ . 1 . 2]" 1
1048 1 56 TRP QB 1 57 VAL H . . 3.850 2.739 2.578 2.955 . 0 0 "[ . 1 . 2]" 1
1049 1 56 TRP HB2 1 57 VAL H . . 4.580 2.787 2.615 3.017 . 0 0 "[ . 1 . 2]" 1
1050 1 56 TRP HB3 1 57 VAL H . . 4.580 4.035 3.914 4.226 . 0 0 "[ . 1 . 2]" 1
1051 1 56 TRP HE3 1 57 VAL H . . 4.440 3.164 2.819 3.479 . 0 0 "[ . 1 . 2]" 1
1052 1 56 TRP HE3 1 57 VAL HA . . 3.820 3.104 2.657 3.519 . 0 0 "[ . 1 . 2]" 1
1053 1 56 TRP HE3 1 58 ALA H . . 3.920 3.724 3.326 3.945 0.025 19 0 "[ . 1 . 2]" 1
1054 1 56 TRP HZ3 1 58 ALA H . . 3.870 3.311 2.631 3.830 . 0 0 "[ . 1 . 2]" 1
1055 1 56 TRP HZ3 1 58 ALA MB . . 4.060 2.470 2.143 3.030 . 0 0 "[ . 1 . 2]" 1
1056 1 57 VAL H 1 57 VAL HB . . 3.850 3.322 3.260 3.396 . 0 0 "[ . 1 . 2]" 1
1057 1 57 VAL H 1 57 VAL MG1 . . 4.440 2.560 2.429 2.733 . 0 0 "[ . 1 . 2]" 1
1058 1 57 VAL H 1 57 VAL QG . . 3.120 2.534 2.410 2.694 . 0 0 "[ . 1 . 2]" 1
1059 1 57 VAL H 1 57 VAL MG2 . . 4.440 4.059 4.016 4.086 . 0 0 "[ . 1 . 2]" 1
1060 1 57 VAL H 1 58 ALA H . . 4.480 4.357 4.266 4.433 . 0 0 "[ . 1 . 2]" 1
1061 1 57 VAL HA 1 57 VAL QG . . 3.020 2.251 2.197 2.320 . 0 0 "[ . 1 . 2]" 1
1062 1 57 VAL HA 1 58 ALA H . . 2.700 2.247 2.164 2.362 . 0 0 "[ . 1 . 2]" 1
1063 1 57 VAL HA 1 58 ALA HA . . 4.540 4.417 4.361 4.470 . 0 0 "[ . 1 . 2]" 1
1064 1 57 VAL HA 1 61 GLN QB . . 4.500 4.318 3.823 4.549 0.049 12 0 "[ . 1 . 2]" 1
1065 1 57 VAL HB 1 58 ALA H . . 4.210 4.182 4.096 4.231 0.021 15 0 "[ . 1 . 2]" 1
1066 1 57 VAL HB 1 62 ILE MD . . 4.620 4.053 3.905 4.173 . 0 0 "[ . 1 . 2]" 1
1067 1 57 VAL QG 1 58 ALA H . . 2.800 2.391 2.244 2.462 . 0 0 "[ . 1 . 2]" 1
1068 1 57 VAL QG 1 59 GLN HA . . 4.820 3.962 3.810 4.205 . 0 0 "[ . 1 . 2]" 1
1069 1 57 VAL QG 1 61 GLN H . . 4.240 3.903 3.636 4.072 . 0 0 "[ . 1 . 2]" 1
1070 1 57 VAL QG 1 61 GLN QB . . 3.120 2.414 2.073 2.668 . 0 0 "[ . 1 . 2]" 1
1071 1 57 VAL QG 1 61 GLN QE . . 4.370 3.571 2.488 4.438 0.068 6 0 "[ . 1 . 2]" 1
1072 1 57 VAL QG 1 62 ILE MD . . 3.370 1.969 1.914 2.028 . 0 0 "[ . 1 . 2]" 1
1073 1 57 VAL QG 1 62 ILE HG13 . . 3.400 2.675 2.530 2.819 . 0 0 "[ . 1 . 2]" 1
1074 1 57 VAL MG1 1 58 ALA H . . 3.790 3.781 3.656 3.828 0.038 18 0 "[ . 1 . 2]" 1
1075 1 57 VAL MG1 1 61 GLN H . . 5.500 5.433 5.142 5.528 0.028 9 0 "[ . 1 . 2]" 1
1076 1 57 VAL MG1 1 62 ILE HG13 . . 4.450 3.713 3.505 3.944 . 0 0 "[ . 1 . 2]" 1
1077 1 57 VAL MG2 1 58 ALA H . . 3.790 2.418 2.265 2.494 . 0 0 "[ . 1 . 2]" 1
1078 1 57 VAL MG2 1 61 GLN H . . 5.500 4.001 3.708 4.193 . 0 0 "[ . 1 . 2]" 1
1079 1 57 VAL MG2 1 62 ILE HG13 . . 4.450 2.744 2.577 2.887 . 0 0 "[ . 1 . 2]" 1
1080 1 58 ALA H 1 58 ALA MB . . 3.130 2.290 2.242 2.366 . 0 0 "[ . 1 . 2]" 1
1081 1 58 ALA H 1 59 GLN H . . 4.760 4.656 4.586 4.712 . 0 0 "[ . 1 . 2]" 1
1082 1 58 ALA H 1 61 GLN H . . 5.060 4.232 3.969 4.525 . 0 0 "[ . 1 . 2]" 1
1083 1 58 ALA H 1 61 GLN HB2 . . 4.230 2.936 2.572 3.144 . 0 0 "[ . 1 . 2]" 1
1084 1 58 ALA H 1 61 GLN HB3 . . 4.230 4.185 3.747 4.321 0.091 10 0 "[ . 1 . 2]" 1
1085 1 58 ALA H 1 61 GLN QE . . 4.620 3.731 2.706 4.617 . 0 0 "[ . 1 . 2]" 1
1086 1 58 ALA HA 1 59 GLN H . . 3.000 2.280 2.185 2.322 . 0 0 "[ . 1 . 2]" 1
1087 1 58 ALA HA 1 60 HIS H . . 4.330 4.236 4.012 4.354 0.024 3 0 "[ . 1 . 2]" 1
1088 1 58 ALA MB 1 59 GLN H . . 3.530 2.929 2.742 3.050 . 0 0 "[ . 1 . 2]" 1
1089 1 58 ALA MB 1 59 GLN HA . . 5.210 4.501 4.458 4.531 . 0 0 "[ . 1 . 2]" 1
1090 1 58 ALA MB 1 60 HIS H . . 3.650 2.907 2.623 3.089 . 0 0 "[ . 1 . 2]" 1
1091 1 58 ALA MB 1 61 GLN H . . 3.590 2.903 2.606 3.221 . 0 0 "[ . 1 . 2]" 1
1092 1 58 ALA MB 1 61 GLN HB2 . . 4.290 2.899 2.314 3.416 . 0 0 "[ . 1 . 2]" 1
1093 1 58 ALA MB 1 61 GLN HB3 . . 4.290 4.166 3.859 4.337 0.047 4 0 "[ . 1 . 2]" 1
1094 1 58 ALA MB 1 61 GLN HE21 . . 5.500 3.978 2.392 4.989 . 0 0 "[ . 1 . 2]" 1
1095 1 58 ALA MB 1 61 GLN QE . . 4.820 3.638 2.288 4.366 . 0 0 "[ . 1 . 2]" 1
1096 1 58 ALA MB 1 61 GLN HE22 . . 5.500 4.398 2.686 5.527 0.027 15 0 "[ . 1 . 2]" 1
1097 1 58 ALA MB 1 61 GLN QG . . 3.620 2.352 1.982 3.626 0.006 9 0 "[ . 1 . 2]" 1
1098 1 58 ALA MB 1 62 ILE HG13 . . 4.970 4.999 4.973 5.024 0.054 6 0 "[ . 1 . 2]" 1
1099 1 59 GLN H 1 59 GLN HB2 . . 3.610 2.605 2.207 3.349 . 0 0 "[ . 1 . 2]" 1
1100 1 59 GLN H 1 59 GLN HB3 . . 3.610 3.549 3.438 3.602 . 0 0 "[ . 1 . 2]" 1
1101 1 59 GLN H 1 59 GLN HG2 . . 4.240 3.021 1.775 4.096 . 0 0 "[ . 1 . 2]" 1
1102 1 59 GLN H 1 59 GLN QG . . 3.650 2.383 1.769 3.505 . 0 0 "[ . 1 . 2]" 1
1103 1 59 GLN H 1 59 GLN HG3 . . 4.240 3.072 2.156 3.809 . 0 0 "[ . 1 . 2]" 1
1104 1 59 GLN H 1 61 GLN H . . 4.600 4.232 4.075 4.346 . 0 0 "[ . 1 . 2]" 1
1105 1 59 GLN H 1 85 ILE MG . . 5.500 5.547 5.512 5.578 0.078 11 0 "[ . 1 . 2]" 1
1106 1 59 GLN HA 1 59 GLN HG2 . . 4.060 3.219 2.491 3.682 . 0 0 "[ . 1 . 2]" 1
1107 1 59 GLN HA 1 59 GLN QG . . 3.410 2.714 2.174 3.430 0.020 8 0 "[ . 1 . 2]" 1
1108 1 59 GLN HA 1 59 GLN HG3 . . 4.060 3.126 2.194 4.093 0.033 8 0 "[ . 1 . 2]" 1
1109 1 59 GLN HA 1 61 GLN H . . 4.440 3.724 3.503 3.993 . 0 0 "[ . 1 . 2]" 1
1110 1 59 GLN HA 1 62 ILE H . . 4.820 3.963 3.647 4.354 . 0 0 "[ . 1 . 2]" 1
1111 1 59 GLN HA 1 62 ILE HB . . 4.440 4.033 3.781 4.371 . 0 0 "[ . 1 . 2]" 1
1112 1 59 GLN HA 1 62 ILE MD . . 3.870 3.475 2.967 3.881 0.011 5 0 "[ . 1 . 2]" 1
1113 1 59 GLN HB2 1 60 HIS H . . 4.250 2.840 2.578 3.174 . 0 0 "[ . 1 . 2]" 1
1114 1 59 GLN HB3 1 60 HIS H . . 4.250 3.768 3.407 4.273 0.023 8 0 "[ . 1 . 2]" 1
1115 1 59 GLN QE 1 85 ILE HA . . 4.910 3.588 3.151 4.136 . 0 0 "[ . 1 . 2]" 1
1116 1 59 GLN QE 1 85 ILE MG . . 3.100 2.088 1.704 2.396 . 0 0 "[ . 1 . 2]" 1
1117 1 59 GLN QE 1 86 LYS HB3 . . 5.260 4.290 3.657 4.749 . 0 0 "[ . 1 . 2]" 1
1118 1 59 GLN HE21 1 85 ILE MG . . 3.610 2.557 2.061 2.984 . 0 0 "[ . 1 . 2]" 1
1119 1 59 GLN HE21 1 86 LYS H . . 3.670 2.925 2.354 3.479 . 0 0 "[ . 1 . 2]" 1
1120 1 59 GLN HE22 1 85 ILE MG . . 3.610 2.354 1.723 2.790 . 0 0 "[ . 1 . 2]" 1
1121 1 59 GLN HE22 1 86 LYS H . . 3.670 2.772 2.148 3.677 0.007 14 0 "[ . 1 . 2]" 1
1122 1 59 GLN QG 1 61 GLN H . . 5.340 5.402 5.302 5.469 0.129 5 0 "[ . 1 . 2]" 1
1123 1 60 HIS H 1 60 HIS HB2 . . 4.020 3.348 2.209 3.631 . 0 0 "[ . 1 . 2]" 1
1124 1 60 HIS H 1 60 HIS QB . . 3.230 2.380 2.008 2.591 . 0 0 "[ . 1 . 2]" 1
1125 1 60 HIS H 1 60 HIS HB3 . . 4.020 2.457 2.068 2.657 . 0 0 "[ . 1 . 2]" 1
1126 1 60 HIS H 1 60 HIS HD2 . . 5.350 4.049 2.668 5.036 . 0 0 "[ . 1 . 2]" 1
1127 1 60 HIS H 1 61 GLN H . . 3.780 2.846 2.749 3.014 . 0 0 "[ . 1 . 2]" 1
1128 1 60 HIS HD2 1 61 GLN H . . 5.190 4.442 3.108 5.195 0.005 4 0 "[ . 1 . 2]" 1
1129 1 61 GLN H 1 61 GLN HB2 . . 3.720 2.362 2.055 2.562 . 0 0 "[ . 1 . 2]" 1
1130 1 61 GLN H 1 61 GLN QB . . 2.970 2.330 2.007 2.520 . 0 0 "[ . 1 . 2]" 1
1131 1 61 GLN H 1 61 GLN HB3 . . 3.720 3.565 2.807 3.728 0.008 7 0 "[ . 1 . 2]" 1
1132 1 61 GLN H 1 61 GLN QG . . 3.460 3.009 2.701 3.633 0.173 9 0 "[ . 1 . 2]" 1
1133 1 61 GLN H 1 62 ILE H . . 3.010 2.518 2.306 2.731 . 0 0 "[ . 1 . 2]" 1
1134 1 61 GLN H 1 62 ILE MD . . 4.790 4.726 4.386 4.816 0.026 15 0 "[ . 1 . 2]" 1
1135 1 61 GLN H 1 62 ILE HG13 . . 4.200 3.427 3.097 3.684 . 0 0 "[ . 1 . 2]" 1
1136 1 61 GLN HA 1 61 GLN QE . . 5.020 4.335 3.835 4.632 . 0 0 "[ . 1 . 2]" 1
1137 1 61 GLN HA 1 61 GLN QG . . 3.900 2.374 2.182 2.699 . 0 0 "[ . 1 . 2]" 1
1138 1 61 GLN QB 1 61 GLN QE . . 3.120 2.887 2.343 3.189 0.069 7 0 "[ . 1 . 2]" 1
1139 1 61 GLN QB 1 62 ILE HG13 . . 4.290 3.034 2.452 3.386 . 0 0 "[ . 1 . 2]" 1
1140 1 61 GLN QG 1 62 ILE H . . 4.690 4.593 4.352 4.696 0.006 20 0 "[ . 1 . 2]" 1
1141 1 62 ILE H 1 62 ILE HB . . 3.040 2.679 2.563 2.836 . 0 0 "[ . 1 . 2]" 1
1142 1 62 ILE H 1 62 ILE MD . . 4.220 3.903 3.589 4.182 . 0 0 "[ . 1 . 2]" 1
1143 1 62 ILE H 1 62 ILE HG12 . . 3.980 3.513 3.132 3.809 . 0 0 "[ . 1 . 2]" 1
1144 1 62 ILE H 1 62 ILE HG13 . . 3.200 2.442 1.982 2.807 . 0 0 "[ . 1 . 2]" 1
1145 1 62 ILE H 1 62 ILE MG . . 4.190 3.880 3.805 3.944 . 0 0 "[ . 1 . 2]" 1
1146 1 62 ILE H 1 70 TRP HE1 . . 4.630 4.249 4.041 4.449 . 0 0 "[ . 1 . 2]" 1
1147 1 62 ILE HA 1 62 ILE MD . . 4.430 3.863 3.819 3.924 . 0 0 "[ . 1 . 2]" 1
1148 1 62 ILE HA 1 62 ILE MG . . 3.390 2.306 2.244 2.365 . 0 0 "[ . 1 . 2]" 1
1149 1 62 ILE HA 1 70 TRP HE1 . . 4.580 4.431 4.273 4.613 0.033 11 0 "[ . 1 . 2]" 1
1150 1 62 ILE HB 1 70 TRP HD1 . . 4.720 3.297 3.115 3.674 . 0 0 "[ . 1 . 2]" 1
1151 1 62 ILE HB 1 70 TRP HE1 . . 3.450 2.765 2.571 3.026 . 0 0 "[ . 1 . 2]" 1
1152 1 62 ILE MD 1 62 ILE MG . . 2.990 2.103 2.081 2.129 . 0 0 "[ . 1 . 2]" 1
1153 1 62 ILE MD 1 70 TRP HB3 . . 5.160 4.854 4.509 5.168 0.008 6 0 "[ . 1 . 2]" 1
1154 1 62 ILE MD 1 70 TRP HD1 . . 4.910 3.946 3.735 4.240 . 0 0 "[ . 1 . 2]" 1
1155 1 62 ILE HG12 1 62 ILE MG . . 3.370 2.500 2.449 2.549 . 0 0 "[ . 1 . 2]" 1
1156 1 62 ILE HG13 1 62 ILE MG . . 3.730 3.273 3.250 3.293 . 0 0 "[ . 1 . 2]" 1
1157 1 62 ILE HG13 1 70 TRP HE1 . . 5.340 5.128 4.899 5.345 0.005 10 0 "[ . 1 . 2]" 1
1158 1 62 ILE MG 1 63 PRO HB2 . . 4.860 4.567 3.848 4.753 . 0 0 "[ . 1 . 2]" 1
1159 1 62 ILE MG 1 63 PRO QB . . 4.200 4.175 3.722 4.290 0.090 15 0 "[ . 1 . 2]" 1
1160 1 62 ILE MG 1 63 PRO HB3 . . 4.860 4.878 4.834 4.964 0.104 17 0 "[ . 1 . 2]" 1
1161 1 62 ILE MG 1 70 TRP HB3 . . 4.350 4.245 3.909 4.366 0.016 6 0 "[ . 1 . 2]" 1
1162 1 62 ILE MG 1 70 TRP HD1 . . 3.300 2.432 2.167 2.619 . 0 0 "[ . 1 . 2]" 1
1163 1 62 ILE MG 1 70 TRP HE1 . . 3.140 2.828 2.358 3.151 0.011 20 0 "[ . 1 . 2]" 1
1164 1 64 ALA H 1 64 ALA MB . . 2.800 2.222 2.172 2.272 . 0 0 "[ . 1 . 2]" 1
1165 1 64 ALA H 1 65 ALA H . . 4.800 4.646 4.606 4.708 . 0 0 "[ . 1 . 2]" 1
1166 1 64 ALA H 1 70 TRP HD1 . . 5.500 5.372 4.998 5.519 0.019 11 0 "[ . 1 . 2]" 1
1167 1 64 ALA H 1 70 TRP HE1 . . 4.200 3.694 3.383 3.916 . 0 0 "[ . 1 . 2]" 1
1168 1 64 ALA H 1 70 TRP HH2 . . 5.500 5.227 4.714 5.533 0.033 20 0 "[ . 1 . 2]" 1
1169 1 64 ALA H 1 70 TRP HZ2 . . 3.860 3.604 3.185 3.886 0.026 12 0 "[ . 1 . 2]" 1
1170 1 64 ALA HA 1 65 ALA H . . 2.870 2.429 2.351 2.546 . 0 0 "[ . 1 . 2]" 1
1171 1 64 ALA HA 1 65 ALA MB . . 4.390 4.090 3.970 4.151 . 0 0 "[ . 1 . 2]" 1
1172 1 64 ALA HA 1 70 TRP HD1 . . 4.600 3.593 3.336 3.863 . 0 0 "[ . 1 . 2]" 1
1173 1 64 ALA HA 1 70 TRP HE1 . . 3.710 3.374 3.172 3.674 . 0 0 "[ . 1 . 2]" 1
1174 1 64 ALA MB 1 65 ALA H . . 3.090 2.409 2.237 2.620 . 0 0 "[ . 1 . 2]" 1
1175 1 64 ALA MB 1 65 ALA HA . . 5.030 4.306 4.243 4.371 . 0 0 "[ . 1 . 2]" 1
1176 1 64 ALA MB 1 65 ALA MB . . 4.640 3.700 3.566 3.915 . 0 0 "[ . 1 . 2]" 1
1177 1 64 ALA MB 1 68 GLY H . . 3.830 3.727 3.523 3.846 0.016 11 0 "[ . 1 . 2]" 1
1178 1 64 ALA MB 1 68 GLY HA2 . . 4.050 2.666 2.390 2.862 . 0 0 "[ . 1 . 2]" 1
1179 1 64 ALA MB 1 68 GLY QA . . 3.320 2.626 2.364 2.809 . 0 0 "[ . 1 . 2]" 1
1180 1 64 ALA MB 1 68 GLY HA3 . . 4.050 3.955 3.673 4.086 0.036 17 0 "[ . 1 . 2]" 1
1181 1 64 ALA MB 1 69 TYR H . . 4.330 3.355 2.851 3.901 . 0 0 "[ . 1 . 2]" 1
1182 1 64 ALA MB 1 69 TYR HA . . 5.300 3.520 3.176 3.914 . 0 0 "[ . 1 . 2]" 1
1183 1 64 ALA MB 1 70 TRP H . . 5.490 4.630 4.296 5.170 . 0 0 "[ . 1 . 2]" 1
1184 1 64 ALA MB 1 70 TRP HE1 . . 4.020 3.821 3.467 4.024 0.004 19 0 "[ . 1 . 2]" 1
1185 1 64 ALA MB 1 70 TRP HE3 . . 4.840 4.165 3.704 4.615 . 0 0 "[ . 1 . 2]" 1
1186 1 64 ALA MB 1 70 TRP HH2 . . 4.000 3.296 3.084 3.584 . 0 0 "[ . 1 . 2]" 1
1187 1 64 ALA MB 1 70 TRP HZ2 . . 3.710 2.918 2.693 3.140 . 0 0 "[ . 1 . 2]" 1
1188 1 65 ALA H 1 65 ALA MB . . 2.810 2.174 2.127 2.215 . 0 0 "[ . 1 . 2]" 1
1189 1 65 ALA H 1 68 GLY QA . . 4.940 3.990 3.439 4.256 . 0 0 "[ . 1 . 2]" 1
1190 1 65 ALA H 1 69 TYR HB3 . . 5.500 5.585 5.524 5.652 0.152 16 0 "[ . 1 . 2]" 1
1191 1 65 ALA H 1 70 TRP HA . . 4.080 3.600 3.305 3.836 . 0 0 "[ . 1 . 2]" 1
1192 1 65 ALA H 1 71 TYR H . . 5.500 5.199 4.662 5.523 0.023 13 0 "[ . 1 . 2]" 1
1193 1 65 ALA H 1 71 TYR QE . . 4.840 4.481 3.937 4.838 . 0 0 "[ . 1 . 2]" 1
1194 1 65 ALA HA 1 66 SER HA . . 4.380 4.407 4.356 4.451 0.071 4 0 "[ . 1 . 2]" 1
1195 1 65 ALA HA 1 66 SER QB . . 4.750 4.475 4.234 4.732 . 0 0 "[ . 1 . 2]" 1
1196 1 65 ALA HA 1 67 ASP H . . 4.830 4.431 4.074 4.753 . 0 0 "[ . 1 . 2]" 1
1197 1 65 ALA HA 1 68 GLY H . . 4.490 4.395 4.223 4.512 0.022 1 0 "[ . 1 . 2]" 1
1198 1 65 ALA MB 1 66 SER H . . 3.690 2.464 2.242 2.699 . 0 0 "[ . 1 . 2]" 1
1199 1 65 ALA MB 1 66 SER QB . . 4.550 3.964 3.604 4.498 . 0 0 "[ . 1 . 2]" 1
1200 1 65 ALA MB 1 67 ASP H . . 3.210 2.747 2.485 2.989 . 0 0 "[ . 1 . 2]" 1
1201 1 65 ALA MB 1 68 GLY H . . 3.690 2.644 2.279 2.934 . 0 0 "[ . 1 . 2]" 1
1202 1 65 ALA MB 1 68 GLY QA . . 4.920 3.922 3.616 4.221 . 0 0 "[ . 1 . 2]" 1
1203 1 65 ALA MB 1 69 TYR H . . 3.270 2.358 2.094 2.752 . 0 0 "[ . 1 . 2]" 1
1204 1 65 ALA MB 1 69 TYR HB3 . . 5.120 4.797 4.660 5.042 . 0 0 "[ . 1 . 2]" 1
1205 1 65 ALA MB 1 69 TYR QD . . 3.580 3.442 2.800 3.627 0.047 15 0 "[ . 1 . 2]" 1
1206 1 65 ALA MB 1 70 TRP HA . . 4.360 3.799 3.384 4.286 . 0 0 "[ . 1 . 2]" 1
1207 1 65 ALA MB 1 71 TYR H . . 5.040 4.338 3.794 4.965 . 0 0 "[ . 1 . 2]" 1
1208 1 65 ALA MB 1 71 TYR QE . . 3.510 2.140 1.991 2.315 . 0 0 "[ . 1 . 2]" 1
1209 1 66 SER H 1 67 ASP H . . 4.510 2.777 2.635 2.937 . 0 0 "[ . 1 . 2]" 1
1210 1 66 SER H 1 67 ASP QB . . 4.880 4.652 4.307 4.864 . 0 0 "[ . 1 . 2]" 1
1211 1 66 SER HA 1 67 ASP HA . . 4.750 4.731 4.651 4.787 0.037 16 0 "[ . 1 . 2]" 1
1212 1 66 SER HA 1 68 GLY H . . 4.680 3.810 3.608 4.280 . 0 0 "[ . 1 . 2]" 1
1213 1 66 SER QB 1 67 ASP H . . 4.490 2.829 2.565 3.592 . 0 0 "[ . 1 . 2]" 1
1214 1 67 ASP H 1 67 ASP HB2 . . 3.800 2.430 2.338 2.717 . 0 0 "[ . 1 . 2]" 1
1215 1 67 ASP H 1 67 ASP QB . . 3.220 2.291 2.144 2.392 . 0 0 "[ . 1 . 2]" 1
1216 1 67 ASP H 1 67 ASP HB3 . . 3.800 3.158 2.276 3.651 . 0 0 "[ . 1 . 2]" 1
1217 1 67 ASP H 1 68 GLY H . . 3.150 2.721 2.369 2.848 . 0 0 "[ . 1 . 2]" 1
1218 1 68 GLY H 1 69 TYR H . . 3.250 2.518 2.233 2.925 . 0 0 "[ . 1 . 2]" 1
1219 1 68 GLY H 1 71 TYR QE . . 5.500 5.563 5.517 5.598 0.098 6 0 "[ . 1 . 2]" 1
1220 1 68 GLY QA 1 69 TYR HA . . 4.880 4.112 4.070 4.164 . 0 0 "[ . 1 . 2]" 1
1221 1 69 TYR H 1 69 TYR HB3 . . 3.120 3.118 2.874 3.204 0.084 18 0 "[ . 1 . 2]" 1
1222 1 69 TYR H 1 70 TRP H . . 4.780 4.496 4.417 4.600 . 0 0 "[ . 1 . 2]" 1
1223 1 69 TYR HA 1 70 TRP H . . 3.160 2.439 2.350 2.598 . 0 0 "[ . 1 . 2]" 1
1224 1 69 TYR HA 1 70 TRP HE3 . . 3.750 2.802 2.546 3.119 . 0 0 "[ . 1 . 2]" 1
1225 1 69 TYR HA 1 70 TRP HZ3 . . 4.680 3.586 3.394 3.818 . 0 0 "[ . 1 . 2]" 1
1226 1 69 TYR HB2 1 70 TRP H . . 3.300 2.385 2.082 2.570 . 0 0 "[ . 1 . 2]" 1
1227 1 69 TYR HB2 1 70 TRP HA . . 5.090 4.715 4.417 4.928 . 0 0 "[ . 1 . 2]" 1
1228 1 69 TYR HB3 1 70 TRP H . . 4.210 3.703 3.407 3.880 . 0 0 "[ . 1 . 2]" 1
1229 1 69 TYR QE 1 70 TRP HA . . 5.500 5.537 5.502 5.581 0.081 6 0 "[ . 1 . 2]" 1
1230 1 70 TRP H 1 70 TRP HB2 . . 3.370 2.506 2.410 2.649 . 0 0 "[ . 1 . 2]" 1
1231 1 70 TRP H 1 70 TRP HB3 . . 3.850 3.693 3.631 3.785 . 0 0 "[ . 1 . 2]" 1
1232 1 70 TRP H 1 70 TRP HD1 . . 5.500 5.223 5.120 5.395 . 0 0 "[ . 1 . 2]" 1
1233 1 70 TRP H 1 70 TRP HE3 . . 3.270 2.351 2.158 2.514 . 0 0 "[ . 1 . 2]" 1
1234 1 70 TRP HA 1 70 TRP HD1 . . 4.000 3.329 3.152 3.458 . 0 0 "[ . 1 . 2]" 1
1235 1 70 TRP HA 1 70 TRP HE3 . . 4.430 4.351 4.238 4.430 0.000 10 0 "[ . 1 . 2]" 1
1236 1 70 TRP HA 1 71 TYR H . . 2.750 2.216 2.166 2.269 . 0 0 "[ . 1 . 2]" 1
1237 1 70 TRP HB3 1 71 TYR H . . 3.900 3.157 2.840 3.439 . 0 0 "[ . 1 . 2]" 1
1238 1 71 TYR H 1 71 TYR HB2 . . 3.200 3.102 2.767 3.370 0.170 11 0 "[ . 1 . 2]" 1
1239 1 71 TYR H 1 71 TYR HB3 . . 3.760 3.642 3.391 3.783 0.023 1 0 "[ . 1 . 2]" 1
1240 1 71 TYR H 1 71 TYR QD . . 4.720 2.973 2.776 3.146 . 0 0 "[ . 1 . 2]" 1
1241 1 71 TYR H 1 72 ILE H . . 4.790 4.489 4.333 4.595 . 0 0 "[ . 1 . 2]" 1
1242 1 71 TYR H 1 72 ILE HG13 . . 5.450 4.434 4.175 4.638 . 0 0 "[ . 1 . 2]" 1
1243 1 71 TYR HA 1 72 ILE H . . 2.910 2.221 2.069 2.312 . 0 0 "[ . 1 . 2]" 1
1244 1 71 TYR HA 1 72 ILE HA . . 4.610 4.502 4.396 4.565 . 0 0 "[ . 1 . 2]" 1
1245 1 71 TYR HA 1 72 ILE HG13 . . 4.400 3.566 3.282 3.813 . 0 0 "[ . 1 . 2]" 1
1246 1 71 TYR HB2 1 72 ILE H . . 4.200 3.570 3.077 3.892 . 0 0 "[ . 1 . 2]" 1
1247 1 71 TYR HB3 1 72 ILE H . . 4.150 3.414 3.110 3.753 . 0 0 "[ . 1 . 2]" 1
1248 1 72 ILE H 1 72 ILE HB . . 3.180 2.750 2.691 2.864 . 0 0 "[ . 1 . 2]" 1
1249 1 72 ILE H 1 72 ILE MD . . 3.900 3.837 3.407 3.915 0.015 13 0 "[ . 1 . 2]" 1
1250 1 72 ILE H 1 72 ILE HG13 . . 3.480 2.794 2.449 2.990 . 0 0 "[ . 1 . 2]" 1
1251 1 72 ILE H 1 72 ILE MG . . 3.880 3.919 3.890 3.940 0.060 10 0 "[ . 1 . 2]" 1
1252 1 72 ILE HA 1 72 ILE MD . . 4.550 4.000 3.936 4.054 . 0 0 "[ . 1 . 2]" 1
1253 1 72 ILE HA 1 72 ILE HG12 . . 4.200 2.862 2.709 3.131 . 0 0 "[ . 1 . 2]" 1
1254 1 72 ILE HA 1 72 ILE HG13 . . 3.960 3.137 2.913 3.262 . 0 0 "[ . 1 . 2]" 1
1255 1 72 ILE HA 1 72 ILE MG . . 3.240 2.302 2.213 2.355 . 0 0 "[ . 1 . 2]" 1
1256 1 72 ILE HA 1 73 HIS H . . 2.760 2.161 2.089 2.207 . 0 0 "[ . 1 . 2]" 1
1257 1 72 ILE HB 1 72 ILE MD . . 3.380 2.324 2.218 2.409 . 0 0 "[ . 1 . 2]" 1
1258 1 72 ILE HB 1 73 HIS H . . 4.070 4.062 3.967 4.111 0.041 14 0 "[ . 1 . 2]" 1
1259 1 72 ILE MD 1 85 ILE QG . . 4.990 4.135 3.921 4.303 . 0 0 "[ . 1 . 2]" 1
1260 1 72 ILE MD 1 85 ILE MG . . 4.230 3.322 3.166 3.437 . 0 0 "[ . 1 . 2]" 1
1261 1 72 ILE HG13 1 72 ILE MG . . 3.740 3.229 3.133 3.265 . 0 0 "[ . 1 . 2]" 1
1262 1 72 ILE HG13 1 73 HIS H . . 5.190 5.135 4.966 5.210 0.020 14 0 "[ . 1 . 2]" 1
1263 1 72 ILE MG 1 73 HIS H . . 3.170 2.549 2.379 2.690 . 0 0 "[ . 1 . 2]" 1
1264 1 72 ILE MG 1 73 HIS HA . . 5.030 3.952 3.808 4.123 . 0 0 "[ . 1 . 2]" 1
1265 1 72 ILE MG 1 74 TYR HB3 . . 5.180 5.102 4.969 5.204 0.024 10 0 "[ . 1 . 2]" 1
1266 1 72 ILE MG 1 74 TYR QD . . 3.990 3.397 3.262 3.476 . 0 0 "[ . 1 . 2]" 1
1267 1 72 ILE MG 1 85 ILE MD . . 3.750 2.552 2.311 2.704 . 0 0 "[ . 1 . 2]" 1
1268 1 72 ILE MG 1 85 ILE MG . . 4.510 4.520 4.386 4.564 0.054 16 0 "[ . 1 . 2]" 1
1269 1 73 HIS H 1 73 HIS HB2 . . 3.230 2.983 2.802 3.139 . 0 0 "[ . 1 . 2]" 1
1270 1 73 HIS H 1 73 HIS HB3 . . 3.450 2.579 2.436 3.019 . 0 0 "[ . 1 . 2]" 1
1271 1 73 HIS H 1 74 TYR H . . 4.290 4.357 4.324 4.374 0.084 3 0 "[ . 1 . 2]" 1
1272 1 73 HIS H 1 74 TYR QD . . 5.130 4.451 4.162 4.640 . 0 0 "[ . 1 . 2]" 1
1273 1 73 HIS HA 1 74 TYR H . . 2.910 2.165 2.136 2.200 . 0 0 "[ . 1 . 2]" 1
1274 1 73 HIS HA 1 74 TYR QD . . 4.710 2.822 2.645 2.992 . 0 0 "[ . 1 . 2]" 1
1275 1 73 HIS HB2 1 74 TYR H . . 4.830 4.238 4.043 4.410 . 0 0 "[ . 1 . 2]" 1
1276 1 73 HIS HB3 1 74 TYR H . . 4.300 4.103 3.739 4.312 0.012 10 0 "[ . 1 . 2]" 1
1277 1 74 TYR H 1 74 TYR HB2 . . 3.180 2.716 2.583 2.831 . 0 0 "[ . 1 . 2]" 1
1278 1 74 TYR H 1 74 TYR HB3 . . 3.910 3.780 3.714 3.835 . 0 0 "[ . 1 . 2]" 1
1279 1 74 TYR H 1 74 TYR QD . . 4.300 2.334 2.228 2.453 . 0 0 "[ . 1 . 2]" 1
1280 1 74 TYR HB2 1 75 LYS H . . 4.450 3.976 3.846 4.081 . 0 0 "[ . 1 . 2]" 1
1281 1 74 TYR HB2 1 83 VAL MG1 . . 5.500 5.177 4.929 5.403 . 0 0 "[ . 1 . 2]" 1
1282 1 74 TYR HB3 1 75 LYS H . . 4.280 3.176 3.029 3.287 . 0 0 "[ . 1 . 2]" 1
1283 1 74 TYR HB3 1 83 VAL MG1 . . 4.390 4.021 3.741 4.297 . 0 0 "[ . 1 . 2]" 1
1284 1 75 LYS H 1 75 LYS HB3 . . 3.450 3.069 2.955 3.207 . 0 0 "[ . 1 . 2]" 1
1285 1 75 LYS HA 1 75 LYS HG3 . . 4.160 3.414 2.923 3.598 . 0 0 "[ . 1 . 2]" 1
1286 1 75 LYS HA 1 76 SER H . . 2.730 2.077 2.039 2.163 . 0 0 "[ . 1 . 2]" 1
1287 1 75 LYS HB2 1 75 LYS QD . . 3.540 3.196 2.785 3.316 . 0 0 "[ . 1 . 2]" 1
1288 1 75 LYS HB2 1 75 LYS QE . . 4.580 4.336 4.135 4.585 0.005 16 0 "[ . 1 . 2]" 1
1289 1 75 LYS HB3 1 75 LYS QD . . 3.520 2.235 2.167 2.349 . 0 0 "[ . 1 . 2]" 1
1290 1 75 LYS HB3 1 75 LYS HE2 . . 4.530 4.496 4.106 4.615 0.085 13 0 "[ . 1 . 2]" 1
1291 1 75 LYS HB3 1 75 LYS HE3 . . 4.530 4.462 4.283 4.600 0.070 17 0 "[ . 1 . 2]" 1
1292 1 75 LYS HB3 1 76 SER H . . 4.340 3.938 3.834 4.043 . 0 0 "[ . 1 . 2]" 1
1293 1 75 LYS HB3 1 76 SER HA . . 4.600 4.621 4.399 4.670 0.070 5 0 "[ . 1 . 2]" 1
1294 1 75 LYS QE 1 75 LYS HG3 . . 3.730 2.558 2.235 3.034 . 0 0 "[ . 1 . 2]" 1
1295 1 75 LYS HE2 1 75 LYS HG2 . . 3.810 3.079 2.475 3.779 . 0 0 "[ . 1 . 2]" 1
1296 1 75 LYS HE3 1 75 LYS HG2 . . 3.810 3.008 2.472 3.846 0.036 11 0 "[ . 1 . 2]" 1
1297 1 75 LYS HG2 1 76 SER H . . 3.500 2.692 2.460 3.405 . 0 0 "[ . 1 . 2]" 1
1298 1 75 LYS HG3 1 76 SER H . . 5.000 4.297 3.951 4.751 . 0 0 "[ . 1 . 2]" 1
1299 1 76 SER H 1 77 GLY H . . 4.740 4.457 4.429 4.517 . 0 0 "[ . 1 . 2]" 1
1300 1 77 GLY H 1 78 VAL H . . 3.130 2.159 1.841 2.313 . 0 0 "[ . 1 . 2]" 1
1301 1 77 GLY H 1 78 VAL MG1 . . 4.140 3.888 3.300 4.142 0.002 13 0 "[ . 1 . 2]" 1
1302 1 77 GLY H 1 78 VAL MG2 . . 3.900 2.686 2.577 3.021 . 0 0 "[ . 1 . 2]" 1
1303 1 77 GLY QA 1 78 VAL MG1 . . 4.530 3.509 3.166 3.760 . 0 0 "[ . 1 . 2]" 1
1304 1 78 VAL H 1 78 VAL MG1 . . 3.490 3.325 2.884 3.506 0.016 13 0 "[ . 1 . 2]" 1
1305 1 78 VAL H 1 78 VAL MG2 . . 2.940 2.257 2.151 2.326 . 0 0 "[ . 1 . 2]" 1
1306 1 78 VAL H 1 81 GLY H . . 4.210 3.969 3.764 4.211 0.001 4 0 "[ . 1 . 2]" 1
1307 1 78 VAL H 1 81 GLY HA3 . . 4.290 3.838 3.581 4.115 . 0 0 "[ . 1 . 2]" 1
1308 1 78 VAL HA 1 78 VAL MG1 . . 3.170 2.299 2.249 2.453 . 0 0 "[ . 1 . 2]" 1
1309 1 78 VAL HA 1 79 SER HA . . 4.530 4.380 4.282 4.496 . 0 0 "[ . 1 . 2]" 1
1310 1 78 VAL HA 1 80 TRP H . . 4.330 4.039 3.760 4.281 . 0 0 "[ . 1 . 2]" 1
1311 1 78 VAL HB 1 79 SER H . . 4.430 2.902 2.756 3.144 . 0 0 "[ . 1 . 2]" 1
1312 1 78 VAL HB 1 80 TRP H . . 3.240 2.535 2.139 2.898 . 0 0 "[ . 1 . 2]" 1
1313 1 78 VAL MG1 1 79 SER H . . 4.650 3.641 3.499 4.060 . 0 0 "[ . 1 . 2]" 1
1314 1 78 VAL MG1 1 80 TRP H . . 4.330 4.166 3.792 4.402 0.072 11 0 "[ . 1 . 2]" 1
1315 1 78 VAL MG2 1 80 TRP H . . 3.240 3.227 2.398 3.293 0.053 4 0 "[ . 1 . 2]" 1
1316 1 78 VAL MG2 1 81 GLY H . . 3.240 2.099 1.868 2.316 . 0 0 "[ . 1 . 2]" 1
1317 1 78 VAL MG2 1 81 GLY HA3 . . 4.430 2.240 2.123 2.439 . 0 0 "[ . 1 . 2]" 1
1318 1 78 VAL MG2 1 82 HIS H . . 4.890 4.718 4.633 4.822 . 0 0 "[ . 1 . 2]" 1
1319 1 79 SER H 1 80 TRP H . . 4.450 2.748 2.628 2.887 . 0 0 "[ . 1 . 2]" 1
1320 1 79 SER H 1 81 GLY H . . 4.640 4.217 4.067 4.430 . 0 0 "[ . 1 . 2]" 1
1321 1 79 SER QB 1 80 TRP H . . 4.060 3.452 2.862 3.779 . 0 0 "[ . 1 . 2]" 1
1322 1 80 TRP H 1 80 TRP HB2 . . 3.810 2.767 2.355 3.583 . 0 0 "[ . 1 . 2]" 1
1323 1 80 TRP H 1 80 TRP QB . . 3.340 2.564 2.151 2.986 . 0 0 "[ . 1 . 2]" 1
1324 1 80 TRP H 1 80 TRP HB3 . . 3.810 3.433 2.210 3.706 . 0 0 "[ . 1 . 2]" 1
1325 1 80 TRP H 1 80 TRP HE3 . . 4.440 3.133 2.415 4.446 0.006 13 0 "[ . 1 . 2]" 1
1326 1 80 TRP H 1 81 GLY H . . 3.340 2.396 2.238 2.529 . 0 0 "[ . 1 . 2]" 1
1327 1 80 TRP H 1 81 GLY HA3 . . 5.010 4.616 4.474 4.778 . 0 0 "[ . 1 . 2]" 1
1328 1 80 TRP QB 1 81 GLY HA3 . . 4.900 4.841 4.605 5.059 0.159 2 0 "[ . 1 . 2]" 1
1329 1 81 GLY H 1 82 HIS H . . 4.720 4.434 4.160 4.564 . 0 0 "[ . 1 . 2]" 1
1330 1 81 GLY HA2 1 82 HIS H . . 2.920 2.144 2.092 2.200 . 0 0 "[ . 1 . 2]" 1
1331 1 81 GLY HA3 1 82 HIS H . . 3.320 3.305 3.193 3.386 0.066 14 0 "[ . 1 . 2]" 1
1332 1 82 HIS H 1 82 HIS HB2 . . 3.960 3.722 3.060 3.961 0.001 10 0 "[ . 1 . 2]" 1
1333 1 82 HIS H 1 82 HIS QB . . 3.180 2.933 2.554 3.164 . 0 0 "[ . 1 . 2]" 1
1334 1 82 HIS H 1 82 HIS HB3 . . 3.960 3.074 2.689 3.327 . 0 0 "[ . 1 . 2]" 1
1335 1 82 HIS HA 1 83 VAL H . . 2.790 2.335 2.259 2.405 . 0 0 "[ . 1 . 2]" 1
1336 1 82 HIS HA 1 83 VAL MG1 . . 4.360 4.281 4.085 4.378 0.018 17 0 "[ . 1 . 2]" 1
1337 1 82 HIS QB 1 83 VAL H . . 4.050 2.665 2.362 3.600 . 0 0 "[ . 1 . 2]" 1
1338 1 83 VAL H 1 83 VAL HB . . 3.730 3.180 3.075 3.279 . 0 0 "[ . 1 . 2]" 1
1339 1 83 VAL H 1 83 VAL MG1 . . 2.900 2.725 2.539 2.854 . 0 0 "[ . 1 . 2]" 1
1340 1 83 VAL H 1 84 GLU H . . 4.500 4.453 4.334 4.531 0.031 10 0 "[ . 1 . 2]" 1
1341 1 83 VAL HB 1 84 GLU H . . 4.230 3.928 3.863 4.055 . 0 0 "[ . 1 . 2]" 1
1342 1 83 VAL MG1 1 85 ILE MD . . 3.570 3.450 3.270 3.583 0.013 4 0 "[ . 1 . 2]" 1
1343 1 83 VAL MG1 1 85 ILE QG . . 3.560 3.040 2.866 3.214 . 0 0 "[ . 1 . 2]" 1
1344 1 83 VAL MG2 1 84 GLU H . . 2.840 1.899 1.809 1.997 . 0 0 "[ . 1 . 2]" 1
1345 1 83 VAL MG2 1 84 GLU QB . . 5.190 4.069 3.934 4.272 . 0 0 "[ . 1 . 2]" 1
1346 1 83 VAL MG2 1 85 ILE MD . . 4.390 4.201 3.911 4.397 0.007 8 0 "[ . 1 . 2]" 1
1347 1 83 VAL MG2 1 85 ILE QG . . 3.610 3.447 3.327 3.601 . 0 0 "[ . 1 . 2]" 1
1348 1 84 GLU H 1 85 ILE HA . . 4.880 4.910 4.869 4.949 0.069 1 0 "[ . 1 . 2]" 1
1349 1 84 GLU H 1 85 ILE QG . . 4.560 3.990 3.761 4.222 . 0 0 "[ . 1 . 2]" 1
1350 1 84 GLU HA 1 85 ILE H . . 3.150 2.167 2.090 2.213 . 0 0 "[ . 1 . 2]" 1
1351 1 84 GLU QB 1 85 ILE H . . 3.460 3.108 2.676 3.540 0.080 10 0 "[ . 1 . 2]" 1
1352 1 84 GLU QB 1 85 ILE QG . . 5.180 4.552 4.400 4.759 . 0 0 "[ . 1 . 2]" 1
1353 1 85 ILE H 1 85 ILE HB . . 3.770 2.877 2.654 3.077 . 0 0 "[ . 1 . 2]" 1
1354 1 85 ILE H 1 85 ILE MD . . 4.240 4.183 3.980 4.266 0.026 19 0 "[ . 1 . 2]" 1
1355 1 85 ILE H 1 85 ILE HG12 . . 4.380 3.889 3.514 4.211 . 0 0 "[ . 1 . 2]" 1
1356 1 85 ILE H 1 85 ILE QG . . 3.740 2.790 2.558 2.993 . 0 0 "[ . 1 . 2]" 1
1357 1 85 ILE H 1 85 ILE HG13 . . 4.380 2.860 2.621 3.063 . 0 0 "[ . 1 . 2]" 1
1358 1 85 ILE H 1 86 LYS H . . 4.420 4.369 4.219 4.452 0.032 2 0 "[ . 1 . 2]" 1
1359 1 85 ILE H 1 86 LYS HA . . 5.180 4.784 4.554 4.961 . 0 0 "[ . 1 . 2]" 1
1360 1 85 ILE HA 1 85 ILE HG12 . . 4.080 2.724 2.589 2.904 . 0 0 "[ . 1 . 2]" 1
1361 1 85 ILE HA 1 85 ILE QG . . 3.370 2.594 2.493 2.754 . 0 0 "[ . 1 . 2]" 1
1362 1 85 ILE HA 1 85 ILE HG13 . . 4.080 3.271 2.955 3.483 . 0 0 "[ . 1 . 2]" 1
1363 1 85 ILE HA 1 85 ILE MG . . 3.220 2.323 2.197 2.533 . 0 0 "[ . 1 . 2]" 1
1364 1 85 ILE HA 1 86 LYS H . . 2.780 2.223 2.167 2.287 . 0 0 "[ . 1 . 2]" 1
1365 1 85 ILE HA 1 86 LYS HG2 . . 4.530 3.703 3.032 4.332 . 0 0 "[ . 1 . 2]" 1
1366 1 85 ILE HB 1 85 ILE MD . . 3.410 2.426 2.344 2.517 . 0 0 "[ . 1 . 2]" 1
1367 1 85 ILE HB 1 86 LYS H . . 4.570 4.017 3.716 4.334 . 0 0 "[ . 1 . 2]" 1
1368 1 85 ILE MG 1 86 LYS H . . 3.320 2.530 2.237 2.964 . 0 0 "[ . 1 . 2]" 1
1369 1 86 LYS H 1 86 LYS HB2 . . 3.180 2.489 2.280 2.635 . 0 0 "[ . 1 . 2]" 1
1370 1 86 LYS H 1 86 LYS HB3 . . 3.730 3.673 3.549 3.750 0.020 17 0 "[ . 1 . 2]" 1
1371 1 86 LYS H 1 86 LYS QD . . 3.880 3.624 2.870 3.898 0.018 7 0 "[ . 1 . 2]" 1
1372 1 86 LYS H 1 86 LYS QE . . 5.340 4.918 4.260 5.372 0.032 6 0 "[ . 1 . 2]" 1
1373 1 86 LYS H 1 86 LYS HG2 . . 3.180 2.653 2.396 3.041 . 0 0 "[ . 1 . 2]" 1
1374 1 86 LYS HA 1 86 LYS HD2 . . 3.850 2.470 2.091 2.991 . 0 0 "[ . 1 . 2]" 1
1375 1 86 LYS HA 1 86 LYS QD . . 3.150 2.238 2.071 2.478 . 0 0 "[ . 1 . 2]" 1
1376 1 86 LYS HA 1 86 LYS HD3 . . 3.850 3.206 2.177 3.898 0.048 8 0 "[ . 1 . 2]" 1
1377 1 86 LYS HA 1 86 LYS QE . . 4.430 3.243 2.144 4.294 . 0 0 "[ . 1 . 2]" 1
1378 1 86 LYS HA 1 86 LYS HG2 . . 4.090 3.234 3.008 3.527 . 0 0 "[ . 1 . 2]" 1
1379 1 86 LYS HB3 1 86 LYS QD . . 3.680 2.836 2.295 3.323 . 0 0 "[ . 1 . 2]" 1
1380 1 86 LYS HB3 1 86 LYS QE . . 3.960 3.020 2.086 4.048 0.088 10 0 "[ . 1 . 2]" 1
1381 1 86 LYS HE2 1 86 LYS HG3 . . 4.140 2.880 2.317 3.702 . 0 0 "[ . 1 . 2]" 1
1382 1 86 LYS HE3 1 86 LYS HG3 . . 4.140 3.378 2.355 3.907 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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