NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583626 |
2mjd   |
19717 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mjd
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 1475
_Distance_constraint_stats_list.Viol_count 3897
_Distance_constraint_stats_list.Viol_total 4222.597
_Distance_constraint_stats_list.Viol_max 0.919
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0542
_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 4 LEU 1.329 0.080 4 0 "[ . 1 . 2]"
1 5 LYS 1.893 0.087 17 0 "[ . 1 . 2]"
1 6 ILE 2.186 0.098 20 0 "[ . 1 . 2]"
1 7 THR 2.882 0.100 18 0 "[ . 1 . 2]"
1 8 PHE 22.675 0.451 1 0 "[ . 1 . 2]"
1 9 ILE 7.870 0.515 6 1 "[ .+ 1 . 2]"
1 10 LEU 1.723 0.142 20 0 "[ . 1 . 2]"
1 11 LYS 2.256 0.088 5 0 "[ . 1 . 2]"
1 12 ASP 0.476 0.071 15 0 "[ . 1 . 2]"
1 13 GLY 0.481 0.047 7 0 "[ . 1 . 2]"
1 14 SER 2.149 0.135 14 0 "[ . 1 . 2]"
1 15 GLN 5.477 0.207 10 0 "[ . 1 . 2]"
1 16 LYS 7.032 0.312 10 0 "[ . 1 . 2]"
1 17 THR 4.573 0.230 10 0 "[ . 1 . 2]"
1 18 TYR 5.283 0.113 5 0 "[ . 1 . 2]"
1 20 VAL 2.808 0.079 5 0 "[ . 1 . 2]"
1 21 CYS 1.504 0.075 1 0 "[ . 1 . 2]"
1 22 GLU 3.219 0.097 10 0 "[ . 1 . 2]"
1 23 GLY 1.468 0.084 15 0 "[ . 1 . 2]"
1 24 GLU 0.951 0.058 10 0 "[ . 1 . 2]"
1 25 THR 3.320 0.105 10 0 "[ . 1 . 2]"
1 26 ILE 5.929 0.387 8 0 "[ . 1 . 2]"
1 28 ASP 2.811 0.109 8 0 "[ . 1 . 2]"
1 29 ILE 10.284 0.286 15 0 "[ . 1 . 2]"
1 30 ALA 2.201 0.103 1 0 "[ . 1 . 2]"
1 31 GLN 7.775 0.369 14 0 "[ . 1 . 2]"
1 32 GLY 1.234 0.122 8 0 "[ . 1 . 2]"
1 33 HIS 8.592 0.243 15 0 "[ . 1 . 2]"
1 34 ASN 4.310 0.171 8 0 "[ . 1 . 2]"
1 35 LEU 9.503 0.243 15 0 "[ . 1 . 2]"
1 36 ASP 5.266 0.245 13 0 "[ . 1 . 2]"
1 37 MET 3.474 0.172 9 0 "[ . 1 . 2]"
1 38 GLU 4.545 0.245 13 0 "[ . 1 . 2]"
1 52 VAL 3.234 0.158 12 0 "[ . 1 . 2]"
1 53 ILE 12.103 0.249 7 0 "[ . 1 . 2]"
1 54 VAL 21.532 0.334 13 0 "[ . 1 . 2]"
1 55 ASP 11.514 0.334 13 0 "[ . 1 . 2]"
1 57 ASP 2.422 0.090 6 0 "[ . 1 . 2]"
1 58 TYR 12.093 0.369 4 0 "[ . 1 . 2]"
1 59 TYR 24.835 0.398 15 0 "[ . 1 . 2]"
1 60 ASP 9.773 0.398 15 0 "[ . 1 . 2]"
1 61 ALA 6.121 0.314 19 0 "[ . 1 . 2]"
1 62 LEU 6.271 0.193 4 0 "[ . 1 . 2]"
1 63 PRO 0.875 0.055 5 0 "[ . 1 . 2]"
1 64 GLU 0.576 0.052 16 0 "[ . 1 . 2]"
1 65 PRO 4.912 0.919 5 2 "[ - + 1 . 2]"
1 66 GLU 2.079 0.252 11 0 "[ . 1 . 2]"
1 67 ASP 0.316 0.051 5 0 "[ . 1 . 2]"
1 68 ASP 2.145 0.094 20 0 "[ . 1 . 2]"
1 69 GLU 1.788 0.094 20 0 "[ . 1 . 2]"
1 70 ASN 2.543 0.128 20 0 "[ . 1 . 2]"
1 71 ASP 2.632 0.123 20 0 "[ . 1 . 2]"
1 72 MET 1.150 0.088 10 0 "[ . 1 . 2]"
1 73 LEU 6.609 0.919 5 2 "[ - + 1 . 2]"
1 74 ASP 4.646 0.128 20 0 "[ . 1 . 2]"
1 75 LEU 2.599 0.080 12 0 "[ . 1 . 2]"
1 76 ALA 1.107 0.091 13 0 "[ . 1 . 2]"
1 77 TYR 2.131 0.171 3 0 "[ . 1 . 2]"
1 78 GLY 2.345 0.118 15 0 "[ . 1 . 2]"
1 79 LEU 7.233 0.113 10 0 "[ . 1 . 2]"
1 80 THR 1.807 0.133 16 0 "[ . 1 . 2]"
1 81 GLU 1.562 0.133 16 0 "[ . 1 . 2]"
1 82 THR 9.349 0.132 11 0 "[ . 1 . 2]"
1 83 SER 6.918 0.150 16 0 "[ . 1 . 2]"
1 84 ARG 11.096 0.327 6 0 "[ . 1 . 2]"
1 85 LEU 0.825 0.123 12 0 "[ . 1 . 2]"
1 89 ILE 8.180 0.327 6 0 "[ . 1 . 2]"
1 90 LYS 4.904 0.123 6 0 "[ . 1 . 2]"
1 91 MET 1.653 0.076 3 0 "[ . 1 . 2]"
1 92 SER 0.934 0.072 6 0 "[ . 1 . 2]"
1 93 LYS 1.604 0.073 14 0 "[ . 1 . 2]"
1 94 ASP 1.430 0.081 8 0 "[ . 1 . 2]"
1 95 ILE 6.709 0.156 14 0 "[ . 1 . 2]"
1 96 ASP 1.648 0.062 15 0 "[ . 1 . 2]"
1 97 GLY 3.236 0.156 14 0 "[ . 1 . 2]"
1 98 ILE 1.593 0.106 13 0 "[ . 1 . 2]"
1 99 ARG 9.243 0.515 6 1 "[ .+ 1 . 2]"
1 100 VAL 9.794 0.340 3 0 "[ . 1 . 2]"
1 101 ALA 5.681 0.150 15 0 "[ . 1 . 2]"
1 102 LEU 3.752 0.451 1 0 "[ . 1 . 2]"
1 113 ASP 0.013 0.013 5 0 "[ . 1 . 2]"
1 114 PHE 0.013 0.013 5 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU H 1 20 VAL H . . 3.990 3.438 3.099 3.849 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 20 VAL MG2 . . 4.760 3.878 3.495 4.322 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 21 CYS HA . . 5.170 3.443 2.994 4.015 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 4 LEU HB2 . . 3.800 2.668 2.525 2.790 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU HG . . 3.780 2.892 2.521 3.339 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU MD1 . . 4.750 3.952 3.698 4.142 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU H 1 4 LEU MD2 . . 4.930 3.849 3.493 4.192 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 20 VAL MG2 . . 5.600 4.616 4.379 4.909 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 4 LEU MD2 . . 3.570 2.344 2.206 2.604 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU HA 1 5 LYS H . . 3.320 2.529 2.280 2.705 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HA 1 97 GLY H . . 5.170 4.996 4.456 5.202 0.032 7 0 "[ . 1 . 2]" 1
12 1 4 LEU HB2 1 20 VAL MG2 . . 3.570 2.478 2.286 2.791 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU HB2 1 21 CYS HA . . 4.320 3.712 3.106 4.238 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HB2 1 22 GLU H . . 5.500 4.846 4.452 5.400 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU HB2 1 22 GLU HA . . 5.500 4.817 4.463 5.168 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU HB3 1 20 VAL H . . 5.500 4.852 4.597 5.065 . 0 0 "[ . 1 . 2]" 1
17 1 4 LEU HB3 1 4 LEU MD1 . . 3.360 2.457 2.294 2.544 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HB3 1 5 LYS H . . 3.560 2.426 2.194 2.874 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU HB3 1 96 ASP HA . . 4.700 3.557 3.013 3.959 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HB3 1 97 GLY H . . 5.360 4.468 4.183 4.729 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU HG 1 22 GLU H . . 4.280 4.027 3.722 4.299 0.019 6 0 "[ . 1 . 2]" 1
22 1 4 LEU MD1 1 20 VAL H . . 5.500 5.347 4.811 5.533 0.033 10 0 "[ . 1 . 2]" 1
23 1 4 LEU MD1 1 21 CYS HA . . 4.330 3.385 2.875 3.944 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU MD1 1 22 GLU H . . 4.550 3.073 2.755 3.283 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU MD1 1 22 GLU HA . . 3.680 2.432 2.237 2.747 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU MD1 1 22 GLU HG2 . . 4.190 3.905 2.359 4.263 0.073 1 0 "[ . 1 . 2]" 1
27 1 4 LEU MD1 1 22 GLU QB . . 3.750 2.401 1.957 3.170 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU MD1 1 23 GLY H . . 4.860 4.192 3.856 4.603 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU MD1 1 24 GLU H . . 5.500 4.919 4.582 5.096 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU MD1 1 91 MET H . . 5.210 4.995 4.703 5.231 0.021 20 0 "[ . 1 . 2]" 1
31 1 4 LEU MD1 1 91 MET HA . . 4.620 3.759 3.411 4.135 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU MD1 1 91 MET HG2 . . 5.020 4.534 4.111 4.878 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU MD1 1 91 MET QB . . 4.360 2.141 1.874 2.431 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU MD1 1 92 SER H . . 4.420 3.035 2.590 3.379 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU MD1 1 92 SER HA . . 4.250 3.360 2.304 3.911 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU MD1 1 93 LYS H . . 4.920 4.237 3.527 4.702 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU MD1 1 93 LYS HA . . 4.780 3.569 3.081 3.921 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU MD1 1 94 ASP H . . 5.500 5.158 4.690 5.513 0.013 5 0 "[ . 1 . 2]" 1
39 1 4 LEU MD1 1 95 ILE H . . 5.500 4.317 3.886 4.983 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU MD1 1 95 ILE HG12 . . 3.870 2.773 2.307 3.904 0.034 4 0 "[ . 1 . 2]" 1
41 1 4 LEU MD2 1 22 GLU H . . 5.500 5.034 4.512 5.389 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU MD2 1 22 GLU HA . . 5.450 4.887 4.168 5.235 . 0 0 "[ . 1 . 2]" 1
43 1 4 LEU MD2 1 22 GLU QB . . 4.030 4.042 3.812 4.110 0.080 4 0 "[ . 1 . 2]" 1
44 1 4 LEU MD2 1 93 LYS H . . 5.440 4.486 3.594 5.139 . 0 0 "[ . 1 . 2]" 1
45 1 4 LEU MD2 1 93 LYS HA . . 3.440 2.638 2.038 3.282 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU MD2 1 95 ILE H . . 5.500 4.050 3.528 4.567 . 0 0 "[ . 1 . 2]" 1
47 1 4 LEU MD2 1 96 ASP H . . 4.790 3.769 3.375 4.217 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU MD2 1 96 ASP HA . . 4.450 2.927 2.402 3.355 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU MD2 1 96 ASP HB2 . . 4.490 2.692 2.290 2.927 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU MD2 1 96 ASP HB3 . . 4.120 4.101 3.757 4.165 0.045 20 0 "[ . 1 . 2]" 1
51 1 4 LEU MD2 1 97 GLY H . . 4.910 4.561 3.951 4.945 0.035 4 0 "[ . 1 . 2]" 1
52 1 5 LYS H 1 5 LYS HG3 . . 3.440 3.170 2.538 3.475 0.035 3 0 "[ . 1 . 2]" 1
53 1 5 LYS H 1 96 ASP HA . . 4.080 3.371 2.971 3.972 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS H 1 97 GLY H . . 4.570 3.411 2.943 3.699 . 0 0 "[ . 1 . 2]" 1
55 1 5 LYS HA 1 18 TYR H . . 5.040 4.648 4.367 4.852 . 0 0 "[ . 1 . 2]" 1
56 1 5 LYS HA 1 18 TYR HB3 . . 5.500 5.543 5.515 5.576 0.076 16 0 "[ . 1 . 2]" 1
57 1 5 LYS HA 1 20 VAL H . . 4.430 2.710 2.324 3.356 . 0 0 "[ . 1 . 2]" 1
58 1 5 LYS HA 1 20 VAL MG1 . . 5.500 3.800 3.509 4.100 . 0 0 "[ . 1 . 2]" 1
59 1 5 LYS HA 1 20 VAL MG2 . . 4.860 2.556 2.275 2.991 . 0 0 "[ . 1 . 2]" 1
60 1 5 LYS HA 1 5 LYS HG3 . . 4.020 3.696 3.626 3.864 . 0 0 "[ . 1 . 2]" 1
61 1 5 LYS HA 1 5 LYS QD . . 4.090 3.973 3.263 4.177 0.087 17 0 "[ . 1 . 2]" 1
62 1 5 LYS HA 1 6 ILE H . . 3.000 2.244 2.172 2.359 . 0 0 "[ . 1 . 2]" 1
63 1 5 LYS HA 1 6 ILE MG . . 4.620 3.250 3.094 3.682 . 0 0 "[ . 1 . 2]" 1
64 1 5 LYS HG2 1 96 ASP HA . . 5.500 4.959 4.326 5.562 0.062 15 0 "[ . 1 . 2]" 1
65 1 5 LYS HG2 1 97 GLY H . . 5.500 4.242 3.611 5.360 . 0 0 "[ . 1 . 2]" 1
66 1 5 LYS QD 1 5 LYS HG3 . . 2.400 2.364 2.214 2.420 0.020 17 0 "[ . 1 . 2]" 1
67 1 5 LYS HG3 1 97 GLY H . . 5.500 3.617 2.917 4.231 . 0 0 "[ . 1 . 2]" 1
68 1 5 LYS HG3 1 97 GLY HA2 . . 3.410 2.579 2.204 3.418 0.008 14 0 "[ . 1 . 2]" 1
69 1 5 LYS QB 1 6 ILE H . . 4.100 2.448 2.129 2.632 . 0 0 "[ . 1 . 2]" 1
70 1 5 LYS QD 1 6 ILE H . . 4.080 3.750 2.687 4.100 0.020 8 0 "[ . 1 . 2]" 1
71 1 5 LYS QE 1 7 THR HB . . 5.270 5.007 3.423 5.342 0.072 2 0 "[ . 1 . 2]" 1
72 1 5 LYS QE 1 97 GLY HA2 . . 4.970 2.318 1.884 2.889 . 0 0 "[ . 1 . 2]" 1
73 1 5 LYS QE 1 97 GLY HA3 . . 4.070 3.498 3.042 4.072 0.002 16 0 "[ . 1 . 2]" 1
74 1 6 ILE H 1 18 TYR H . . 3.830 2.903 2.696 3.150 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE H 1 18 TYR HB3 . . 5.160 4.709 4.613 4.808 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE H 1 20 VAL H . . 5.050 4.431 4.089 4.828 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE H 1 20 VAL MG1 . . 5.020 3.795 3.481 4.117 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE H 1 20 VAL MG2 . . 4.930 3.300 3.107 3.584 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE H 1 29 ILE MD . . 5.480 5.164 4.894 5.376 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE H 1 6 ILE HB . . 3.940 3.393 3.317 3.561 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE H 1 6 ILE HG12 . . 5.500 4.439 4.374 4.595 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE H 1 6 ILE MD . . 5.500 4.843 4.766 5.014 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE H 1 6 ILE MG . . 3.470 2.223 2.097 2.506 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE H 1 7 THR H . . 5.110 4.259 4.062 4.366 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE HB 1 20 VAL MG2 . . 4.400 2.932 2.693 3.134 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE HB 1 6 ILE MD . . 3.680 2.363 2.301 2.437 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE HB 1 7 THR H . . 4.590 4.167 4.058 4.282 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE HB 1 8 PHE QE . . 4.990 4.736 4.638 4.828 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE HB 1 91 MET HG3 . . 4.350 4.293 3.902 4.426 0.076 3 0 "[ . 1 . 2]" 1
90 1 6 ILE HG13 1 100 VAL H . . 5.200 4.403 4.166 4.564 . 0 0 "[ . 1 . 2]" 1
91 1 6 ILE HG13 1 7 THR H . . 3.970 2.991 2.586 3.309 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HG13 1 7 THR HA . . 5.500 4.682 4.398 4.827 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE HG13 1 7 THR HB . . 5.500 5.216 4.978 5.398 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE HG13 1 8 PHE HA . . 5.500 5.125 4.890 5.304 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE HG13 1 8 PHE HZ . . 5.140 4.530 4.335 4.731 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE HG13 1 99 ARG HA . . 4.910 4.235 4.128 4.379 . 0 0 "[ . 1 . 2]" 1
97 1 6 ILE HG12 1 29 ILE HB . . 5.200 4.603 4.482 4.750 . 0 0 "[ . 1 . 2]" 1
98 1 6 ILE HG12 1 29 ILE MD . . 4.160 4.164 4.047 4.258 0.098 20 0 "[ . 1 . 2]" 1
99 1 6 ILE HG12 1 35 LEU MD1 . . 5.220 4.573 4.498 4.652 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE HG12 1 7 THR H . . 3.890 3.445 3.223 3.658 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE HG12 1 7 THR HA . . 5.500 3.949 3.795 4.055 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE HG12 1 8 PHE H . . 5.280 4.215 4.028 4.306 . 0 0 "[ . 1 . 2]" 1
103 1 6 ILE HG12 1 8 PHE QE . . 5.500 3.021 2.935 3.128 . 0 0 "[ . 1 . 2]" 1
104 1 6 ILE MD 1 100 VAL H . . 5.500 5.028 4.870 5.174 . 0 0 "[ . 1 . 2]" 1
105 1 6 ILE MD 1 100 VAL MG1 . . 3.920 3.916 3.788 3.950 0.030 15 0 "[ . 1 . 2]" 1
106 1 6 ILE MD 1 20 VAL HB . . 5.500 5.460 5.260 5.527 0.027 3 0 "[ . 1 . 2]" 1
107 1 6 ILE MD 1 26 ILE H . . 5.500 4.761 4.483 4.975 . 0 0 "[ . 1 . 2]" 1
108 1 6 ILE MD 1 26 ILE HA . . 4.560 2.717 2.432 2.959 . 0 0 "[ . 1 . 2]" 1
109 1 6 ILE MD 1 26 ILE HB . . 5.380 4.503 4.228 4.777 . 0 0 "[ . 1 . 2]" 1
110 1 6 ILE MD 1 26 ILE HG12 . . 4.230 3.827 3.408 4.295 0.065 1 0 "[ . 1 . 2]" 1
111 1 6 ILE MD 1 26 ILE HG13 . . 4.520 2.940 2.123 4.300 . 0 0 "[ . 1 . 2]" 1
112 1 6 ILE MD 1 26 ILE MG . . 4.020 2.460 2.191 3.370 . 0 0 "[ . 1 . 2]" 1
113 1 6 ILE MD 1 29 ILE HB . . 5.110 2.343 2.267 2.428 . 0 0 "[ . 1 . 2]" 1
114 1 6 ILE MD 1 29 ILE HG12 . . 5.130 4.118 4.034 4.265 . 0 0 "[ . 1 . 2]" 1
115 1 6 ILE MD 1 29 ILE MD . . 3.700 2.018 1.975 2.066 . 0 0 "[ . 1 . 2]" 1
116 1 6 ILE MD 1 35 LEU MD1 . . 5.500 4.272 4.184 4.457 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE MD 1 7 THR H . . 4.810 4.465 4.170 4.718 . 0 0 "[ . 1 . 2]" 1
118 1 6 ILE MD 1 7 THR HA . . 5.500 5.432 5.293 5.513 0.013 16 0 "[ . 1 . 2]" 1
119 1 6 ILE MD 1 8 PHE H . . 5.500 5.481 5.321 5.529 0.029 5 0 "[ . 1 . 2]" 1
120 1 6 ILE MD 1 8 PHE HA . . 5.500 5.135 4.865 5.298 . 0 0 "[ . 1 . 2]" 1
121 1 6 ILE MD 1 8 PHE QD . . 4.150 3.191 3.040 3.337 . 0 0 "[ . 1 . 2]" 1
122 1 6 ILE MD 1 91 MET HG2 . . 5.500 4.275 3.876 4.529 . 0 0 "[ . 1 . 2]" 1
123 1 6 ILE MD 1 91 MET HG3 . . 5.270 4.473 4.201 4.713 . 0 0 "[ . 1 . 2]" 1
124 1 6 ILE MD 1 91 MET QB . . 5.500 5.383 5.075 5.535 0.035 2 0 "[ . 1 . 2]" 1
125 1 6 ILE MD 1 99 ARG HA . . 5.500 5.360 5.225 5.506 0.006 17 0 "[ . 1 . 2]" 1
126 1 6 ILE MG 1 18 TYR H . . 4.160 3.110 2.926 3.288 . 0 0 "[ . 1 . 2]" 1
127 1 6 ILE MG 1 18 TYR HB2 . . 4.470 2.250 2.148 2.412 . 0 0 "[ . 1 . 2]" 1
128 1 6 ILE MG 1 18 TYR HB3 . . 3.880 3.382 3.251 3.505 . 0 0 "[ . 1 . 2]" 1
129 1 6 ILE MG 1 18 TYR QD . . 4.120 3.642 3.479 3.788 . 0 0 "[ . 1 . 2]" 1
130 1 6 ILE MG 1 20 VAL H . . 5.410 4.002 3.771 4.302 . 0 0 "[ . 1 . 2]" 1
131 1 6 ILE MG 1 20 VAL HA . . 5.220 4.831 4.637 4.922 . 0 0 "[ . 1 . 2]" 1
132 1 6 ILE MG 1 20 VAL HB . . 5.220 3.936 3.838 4.095 . 0 0 "[ . 1 . 2]" 1
133 1 6 ILE MG 1 20 VAL MG2 . . 3.520 2.209 2.098 2.374 . 0 0 "[ . 1 . 2]" 1
134 1 6 ILE MG 1 29 ILE HB . . 3.620 3.180 2.993 3.466 . 0 0 "[ . 1 . 2]" 1
135 1 6 ILE MD 1 6 ILE MG . . 3.790 2.109 2.055 2.147 . 0 0 "[ . 1 . 2]" 1
136 1 6 ILE MG 1 8 PHE HZ . . 5.500 2.373 2.273 2.626 . 0 0 "[ . 1 . 2]" 1
137 1 6 ILE MG 1 8 PHE QD . . 4.000 3.891 3.703 4.053 0.053 4 0 "[ . 1 . 2]" 1
138 1 6 ILE MG 1 8 PHE QE . . 5.180 2.326 2.186 2.550 . 0 0 "[ . 1 . 2]" 1
139 1 6 ILE MG 1 91 MET HG3 . . 5.500 4.330 4.114 4.651 . 0 0 "[ . 1 . 2]" 1
140 1 7 THR H 1 18 TYR H . . 5.500 4.843 4.726 4.969 . 0 0 "[ . 1 . 2]" 1
141 1 7 THR H 1 7 THR HB . . 3.660 2.608 2.523 2.688 . 0 0 "[ . 1 . 2]" 1
142 1 7 THR H 1 8 PHE H . . 5.490 4.432 4.356 4.469 . 0 0 "[ . 1 . 2]" 1
143 1 7 THR H 1 8 PHE HA . . 5.500 5.152 4.964 5.266 . 0 0 "[ . 1 . 2]" 1
144 1 7 THR H 1 8 PHE QD . . 5.450 5.132 5.002 5.289 . 0 0 "[ . 1 . 2]" 1
145 1 7 THR H 1 98 ILE MD . . 4.800 3.941 3.705 4.384 . 0 0 "[ . 1 . 2]" 1
146 1 7 THR H 1 99 ARG HA . . 4.000 2.610 2.500 2.714 . 0 0 "[ . 1 . 2]" 1
147 1 7 THR H 1 99 ARG HG2 . . 4.840 4.826 4.688 4.912 0.072 8 0 "[ . 1 . 2]" 1
148 1 7 THR HA 1 100 VAL H . . 5.500 4.991 4.918 5.081 . 0 0 "[ . 1 . 2]" 1
149 1 7 THR HA 1 16 LYS H . . 4.860 4.325 3.906 4.585 . 0 0 "[ . 1 . 2]" 1
150 1 7 THR HA 1 16 LYS HB2 . . 5.500 5.056 4.901 5.231 . 0 0 "[ . 1 . 2]" 1
151 1 7 THR HA 1 17 THR HA . . 5.500 2.221 2.090 2.565 . 0 0 "[ . 1 . 2]" 1
152 1 7 THR HA 1 18 TYR H . . 3.800 3.437 3.199 3.605 . 0 0 "[ . 1 . 2]" 1
153 1 7 THR HA 1 7 THR MG . . 3.730 2.376 2.297 2.455 . 0 0 "[ . 1 . 2]" 1
154 1 7 THR HA 1 8 PHE H . . 2.990 2.064 2.013 2.104 . 0 0 "[ . 1 . 2]" 1
155 1 7 THR HA 1 8 PHE HB2 . . 5.090 4.931 4.721 5.107 0.017 7 0 "[ . 1 . 2]" 1
156 1 7 THR HA 1 8 PHE HB3 . . 5.500 5.560 5.508 5.600 0.100 18 0 "[ . 1 . 2]" 1
157 1 7 THR HA 1 8 PHE QD . . 4.450 3.265 3.124 3.355 . 0 0 "[ . 1 . 2]" 1
158 1 7 THR HA 1 8 PHE QE . . 5.500 4.350 4.179 4.584 . 0 0 "[ . 1 . 2]" 1
159 1 7 THR HB 1 100 VAL H . . 4.520 3.680 3.488 3.918 . 0 0 "[ . 1 . 2]" 1
160 1 7 THR HB 1 100 VAL MG2 . . 5.500 5.101 4.965 5.329 . 0 0 "[ . 1 . 2]" 1
161 1 7 THR HB 1 8 PHE H . . 5.360 4.165 4.037 4.335 . 0 0 "[ . 1 . 2]" 1
162 1 7 THR HB 1 8 PHE HA . . 5.500 4.774 4.584 5.011 . 0 0 "[ . 1 . 2]" 1
163 1 7 THR HB 1 98 ILE MD . . 5.500 5.131 4.900 5.490 . 0 0 "[ . 1 . 2]" 1
164 1 7 THR HB 1 99 ARG HA . . 3.800 2.272 2.143 2.460 . 0 0 "[ . 1 . 2]" 1
165 1 7 THR HB 1 99 ARG HB2 . . 3.860 3.488 3.282 3.660 . 0 0 "[ . 1 . 2]" 1
166 1 7 THR HB 1 99 ARG HB3 . . 4.330 4.352 4.227 4.429 0.099 2 0 "[ . 1 . 2]" 1
167 1 7 THR HB 1 99 ARG HG2 . . 4.110 3.103 2.901 3.440 . 0 0 "[ . 1 . 2]" 1
168 1 7 THR HB 1 99 ARG HG3 . . 3.960 2.231 2.065 2.467 . 0 0 "[ . 1 . 2]" 1
169 1 7 THR HB 1 99 ARG QD . . 4.710 4.290 4.144 4.447 . 0 0 "[ . 1 . 2]" 1
170 1 7 THR MG 1 100 VAL H . . 5.170 3.911 3.645 4.028 . 0 0 "[ . 1 . 2]" 1
171 1 7 THR MG 1 15 GLN HA . . 4.210 3.728 3.340 4.052 . 0 0 "[ . 1 . 2]" 1
172 1 7 THR MG 1 15 GLN HG3 . . 3.940 3.563 2.666 3.996 0.056 18 0 "[ . 1 . 2]" 1
173 1 7 THR MG 1 15 GLN QB . . 3.720 3.001 2.300 3.566 . 0 0 "[ . 1 . 2]" 1
174 1 7 THR MG 1 16 LYS H . . 4.370 3.044 2.829 3.337 . 0 0 "[ . 1 . 2]" 1
175 1 7 THR MG 1 17 THR H . . 5.500 4.110 3.736 4.383 . 0 0 "[ . 1 . 2]" 1
176 1 7 THR MG 1 8 PHE H . . 3.790 2.648 2.543 2.768 . 0 0 "[ . 1 . 2]" 1
177 1 7 THR MG 1 8 PHE HA . . 4.680 3.580 3.402 3.715 . 0 0 "[ . 1 . 2]" 1
178 1 7 THR MG 1 8 PHE HB2 . . 5.460 4.781 4.647 4.958 . 0 0 "[ . 1 . 2]" 1
179 1 7 THR MG 1 8 PHE HB3 . . 5.170 5.179 5.084 5.225 0.055 5 0 "[ . 1 . 2]" 1
180 1 7 THR MG 1 99 ARG HA . . 4.800 3.653 3.538 3.727 . 0 0 "[ . 1 . 2]" 1
181 1 7 THR MG 1 99 ARG QD . . 4.300 3.504 3.211 3.982 . 0 0 "[ . 1 . 2]" 1
182 1 7 THR MG 1 9 ILE H . . 4.320 4.136 3.759 4.346 0.026 6 0 "[ . 1 . 2]" 1
183 1 8 PHE H 1 100 VAL MG2 . . 5.500 4.685 4.513 4.845 . 0 0 "[ . 1 . 2]" 1
184 1 8 PHE H 1 102 LEU QD . . 5.500 5.345 4.618 5.951 0.451 1 0 "[ . 1 . 2]" 1
185 1 8 PHE H 1 15 GLN HA . . 5.370 4.680 4.370 4.947 . 0 0 "[ . 1 . 2]" 1
186 1 8 PHE H 1 16 LYS H . . 4.130 3.074 2.811 3.235 . 0 0 "[ . 1 . 2]" 1
187 1 8 PHE H 1 16 LYS HB3 . . 5.500 4.596 4.477 4.706 . 0 0 "[ . 1 . 2]" 1
188 1 8 PHE H 1 18 TYR H . . 5.010 4.746 4.522 4.909 . 0 0 "[ . 1 . 2]" 1
189 1 8 PHE H 1 18 TYR QD . . 5.500 5.531 5.499 5.568 0.068 19 0 "[ . 1 . 2]" 1
190 1 8 PHE H 1 35 LEU MD1 . . 5.500 4.415 4.215 4.500 . 0 0 "[ . 1 . 2]" 1
191 1 8 PHE H 1 8 PHE HB2 . . 3.600 2.959 2.716 3.109 . 0 0 "[ . 1 . 2]" 1
192 1 8 PHE H 1 8 PHE HB3 . . 3.890 3.795 3.714 3.840 . 0 0 "[ . 1 . 2]" 1
193 1 8 PHE H 1 8 PHE QD . . 3.790 2.142 2.086 2.194 . 0 0 "[ . 1 . 2]" 1
194 1 8 PHE H 1 8 PHE QE . . 5.500 4.180 4.087 4.281 . 0 0 "[ . 1 . 2]" 1
195 1 8 PHE H 1 99 ARG HG2 . . 5.390 5.176 4.908 5.402 0.012 8 0 "[ . 1 . 2]" 1
196 1 8 PHE H 1 9 ILE H . . 4.840 4.408 4.285 4.526 . 0 0 "[ . 1 . 2]" 1
197 1 8 PHE HA 1 100 VAL H . . 3.830 2.979 2.881 3.047 . 0 0 "[ . 1 . 2]" 1
198 1 8 PHE HA 1 100 VAL MG1 . . 5.450 5.071 4.976 5.220 . 0 0 "[ . 1 . 2]" 1
199 1 8 PHE HA 1 100 VAL MG2 . . 3.940 2.607 2.414 2.721 . 0 0 "[ . 1 . 2]" 1
200 1 8 PHE HA 1 101 ALA H . . 5.480 5.292 5.166 5.442 . 0 0 "[ . 1 . 2]" 1
201 1 8 PHE HA 1 101 ALA HA . . 4.340 3.877 3.700 4.156 . 0 0 "[ . 1 . 2]" 1
202 1 8 PHE HA 1 102 LEU QD . . 4.730 3.998 2.941 4.668 . 0 0 "[ . 1 . 2]" 1
203 1 8 PHE HA 1 16 LYS H . . 5.500 4.929 4.832 5.036 . 0 0 "[ . 1 . 2]" 1
204 1 8 PHE HA 1 35 LEU MD1 . . 5.500 4.573 4.332 4.794 . 0 0 "[ . 1 . 2]" 1
205 1 8 PHE HA 1 8 PHE QD . . 3.870 3.513 3.401 3.590 . 0 0 "[ . 1 . 2]" 1
206 1 8 PHE HA 1 99 ARG HG3 . . 5.060 5.065 4.927 5.112 0.052 1 0 "[ . 1 . 2]" 1
207 1 8 PHE HA 1 9 ILE H . . 2.860 2.089 2.016 2.166 . 0 0 "[ . 1 . 2]" 1
208 1 8 PHE HA 1 9 ILE HA . . 4.520 4.434 4.383 4.477 . 0 0 "[ . 1 . 2]" 1
209 1 8 PHE HA 1 9 ILE HB . . 4.640 4.704 4.668 4.739 0.099 7 0 "[ . 1 . 2]" 1
210 1 8 PHE HA 1 9 ILE HG13 . . 5.090 3.970 3.790 4.665 . 0 0 "[ . 1 . 2]" 1
211 1 8 PHE HA 1 9 ILE MD . . 5.500 5.333 5.221 5.441 . 0 0 "[ . 1 . 2]" 1
212 1 8 PHE HB2 1 100 VAL MG2 . . 5.500 4.397 4.208 4.715 . 0 0 "[ . 1 . 2]" 1
213 1 8 PHE HB2 1 102 LEU MD1 . . 3.570 3.434 2.718 3.634 0.064 7 0 "[ . 1 . 2]" 1
214 1 8 PHE HB2 1 102 LEU QD . . 3.710 3.209 2.527 3.578 . 0 0 "[ . 1 . 2]" 1
215 1 8 PHE HB2 1 16 LYS H . . 4.830 4.110 3.876 4.218 . 0 0 "[ . 1 . 2]" 1
216 1 8 PHE HB2 1 16 LYS HB3 . . 5.430 4.891 4.727 4.943 . 0 0 "[ . 1 . 2]" 1
217 1 8 PHE HB2 1 16 LYS HB2 . . 4.880 3.436 3.200 3.705 . 0 0 "[ . 1 . 2]" 1
218 1 8 PHE HB2 1 35 LEU MD1 . . 4.300 2.348 2.213 2.516 . 0 0 "[ . 1 . 2]" 1
219 1 8 PHE HB2 1 9 ILE H . . 4.640 3.794 3.571 3.969 . 0 0 "[ . 1 . 2]" 1
220 1 8 PHE HB3 1 100 VAL MG2 . . 5.500 3.057 2.802 3.507 . 0 0 "[ . 1 . 2]" 1
221 1 8 PHE HB3 1 102 LEU HG . . 4.680 3.804 2.410 4.727 0.047 5 0 "[ . 1 . 2]" 1
222 1 8 PHE HB3 1 102 LEU MD1 . . 4.190 2.678 2.054 3.499 . 0 0 "[ . 1 . 2]" 1
223 1 8 PHE HB3 1 102 LEU QD . . 3.960 2.410 1.916 2.879 . 0 0 "[ . 1 . 2]" 1
224 1 8 PHE HB3 1 16 LYS H . . 5.500 5.450 5.265 5.534 0.034 5 0 "[ . 1 . 2]" 1
225 1 8 PHE HB3 1 35 LEU MD1 . . 4.400 2.876 2.451 3.143 . 0 0 "[ . 1 . 2]" 1
226 1 8 PHE HB3 1 9 ILE H . . 4.200 3.113 2.922 3.229 . 0 0 "[ . 1 . 2]" 1
227 1 8 PHE HZ 1 18 TYR HB2 . . 5.500 3.836 3.390 4.109 . 0 0 "[ . 1 . 2]" 1
228 1 8 PHE HZ 1 18 TYR HB3 . . 5.500 4.826 4.390 5.099 . 0 0 "[ . 1 . 2]" 1
229 1 8 PHE HZ 1 18 TYR QD . . 4.030 3.371 3.146 3.620 . 0 0 "[ . 1 . 2]" 1
230 1 8 PHE HZ 1 29 ILE MG . . 3.780 1.975 1.934 1.998 . 0 0 "[ . 1 . 2]" 1
231 1 8 PHE HZ 1 30 ALA HA . . 5.300 4.096 3.663 4.470 . 0 0 "[ . 1 . 2]" 1
232 1 8 PHE HZ 1 30 ALA MB . . 5.500 4.606 4.329 4.940 . 0 0 "[ . 1 . 2]" 1
233 1 8 PHE HZ 1 35 LEU MD1 . . 5.500 3.259 2.988 3.400 . 0 0 "[ . 1 . 2]" 1
234 1 8 PHE QD 1 100 VAL HB . . 5.110 5.136 5.042 5.197 0.087 9 0 "[ . 1 . 2]" 1
235 1 8 PHE QD 1 100 VAL MG1 . . 4.820 4.970 4.764 5.160 0.340 3 0 "[ . 1 . 2]" 1
236 1 8 PHE QD 1 100 VAL MG2 . . 3.640 2.713 2.581 2.840 . 0 0 "[ . 1 . 2]" 1
237 1 8 PHE QD 1 102 LEU QD . . 3.880 2.569 2.073 3.536 . 0 0 "[ . 1 . 2]" 1
238 1 8 PHE QD 1 16 LYS H . . 5.500 4.195 3.966 4.432 . 0 0 "[ . 1 . 2]" 1
239 1 8 PHE QD 1 16 LYS HB3 . . 3.860 3.823 3.611 4.107 0.247 9 0 "[ . 1 . 2]" 1
240 1 8 PHE QD 1 16 LYS HB2 . . 4.660 3.193 2.996 3.480 . 0 0 "[ . 1 . 2]" 1
241 1 8 PHE QD 1 18 TYR H . . 5.260 4.295 4.028 4.463 . 0 0 "[ . 1 . 2]" 1
242 1 8 PHE QD 1 18 TYR HB3 . . 5.490 5.529 5.503 5.557 0.067 19 0 "[ . 1 . 2]" 1
243 1 8 PHE QD 1 26 ILE HA . . 5.100 5.150 5.118 5.178 0.078 5 0 "[ . 1 . 2]" 1
244 1 8 PHE QD 1 26 ILE MG . . 3.130 3.253 2.999 3.517 0.387 8 0 "[ . 1 . 2]" 1
245 1 8 PHE QD 1 29 ILE HB . . 4.550 4.809 4.779 4.836 0.286 15 0 "[ . 1 . 2]" 1
246 1 8 PHE QD 1 30 ALA H . . 4.990 4.837 4.663 5.016 0.026 8 0 "[ . 1 . 2]" 1
247 1 8 PHE QD 1 30 ALA HA . . 4.300 4.349 4.314 4.403 0.103 1 0 "[ . 1 . 2]" 1
248 1 8 PHE QD 1 30 ALA MB . . 3.790 3.297 3.085 3.500 . 0 0 "[ . 1 . 2]" 1
249 1 8 PHE QD 1 35 LEU MD1 . . 3.890 2.640 2.552 2.699 . 0 0 "[ . 1 . 2]" 1
250 1 8 PHE QD 1 35 LEU MD2 . . 4.850 3.046 2.579 3.549 . 0 0 "[ . 1 . 2]" 1
251 1 8 PHE QD 1 9 ILE H . . 4.820 4.822 4.700 4.872 0.052 5 0 "[ . 1 . 2]" 1
252 1 8 PHE QE 1 102 LEU QD . . 4.820 3.986 3.374 4.542 . 0 0 "[ . 1 . 2]" 1
253 1 8 PHE QE 1 18 TYR H . . 5.500 3.604 3.358 3.836 . 0 0 "[ . 1 . 2]" 1
254 1 8 PHE QE 1 18 TYR HB2 . . 4.080 2.201 2.076 2.310 . 0 0 "[ . 1 . 2]" 1
255 1 8 PHE QE 1 18 TYR HB3 . . 4.580 3.606 3.475 3.690 . 0 0 "[ . 1 . 2]" 1
256 1 8 PHE QE 1 18 TYR QD . . 2.740 2.253 2.071 2.853 0.113 5 0 "[ . 1 . 2]" 1
257 1 8 PHE QE 1 29 ILE MG . . 4.740 3.075 3.029 3.126 . 0 0 "[ . 1 . 2]" 1
258 1 8 PHE QE 1 30 ALA HA . . 4.970 3.484 3.224 3.662 . 0 0 "[ . 1 . 2]" 1
259 1 8 PHE QE 1 35 LEU MD1 . . 3.470 2.839 2.747 2.923 . 0 0 "[ . 1 . 2]" 1
260 1 9 ILE H 1 100 VAL H . . 4.640 4.091 3.897 4.305 . 0 0 "[ . 1 . 2]" 1
261 1 9 ILE H 1 100 VAL HB . . 5.260 5.110 4.893 5.275 0.015 14 0 "[ . 1 . 2]" 1
262 1 9 ILE H 1 100 VAL MG2 . . 4.810 3.620 3.503 3.744 . 0 0 "[ . 1 . 2]" 1
263 1 9 ILE H 1 101 ALA HA . . 3.350 2.286 2.098 2.517 . 0 0 "[ . 1 . 2]" 1
264 1 9 ILE H 1 102 LEU H . . 4.130 3.486 2.836 4.153 0.023 9 0 "[ . 1 . 2]" 1
265 1 9 ILE H 1 102 LEU HB3 . . 5.500 5.138 4.549 5.518 0.018 18 0 "[ . 1 . 2]" 1
266 1 9 ILE H 1 10 LEU H . . 4.700 4.466 4.219 4.588 . 0 0 "[ . 1 . 2]" 1
267 1 9 ILE H 1 15 GLN HA . . 5.500 5.014 4.809 5.165 . 0 0 "[ . 1 . 2]" 1
268 1 9 ILE H 1 9 ILE HB . . 3.560 2.630 2.539 2.731 . 0 0 "[ . 1 . 2]" 1
269 1 9 ILE H 1 9 ILE HG12 . . 3.980 3.146 2.843 3.357 . 0 0 "[ . 1 . 2]" 1
270 1 9 ILE H 1 9 ILE HG13 . . 3.850 2.475 2.310 3.239 . 0 0 "[ . 1 . 2]" 1
271 1 9 ILE H 1 9 ILE MD . . 4.850 4.021 3.908 4.278 . 0 0 "[ . 1 . 2]" 1
272 1 9 ILE HA 1 101 ALA HA . . 5.500 4.409 4.252 4.680 . 0 0 "[ . 1 . 2]" 1
273 1 9 ILE HA 1 10 LEU H . . 3.080 2.153 2.099 2.230 . 0 0 "[ . 1 . 2]" 1
274 1 9 ILE HA 1 10 LEU MD2 . . 5.090 3.522 3.006 3.878 . 0 0 "[ . 1 . 2]" 1
275 1 9 ILE HA 1 15 GLN HA . . 3.520 2.723 2.358 2.922 . 0 0 "[ . 1 . 2]" 1
276 1 9 ILE HA 1 15 GLN QE . . 5.500 3.427 2.165 4.505 . 0 0 "[ . 1 . 2]" 1
277 1 9 ILE HA 1 15 GLN HG3 . . 4.000 3.648 3.068 4.023 0.023 2 0 "[ . 1 . 2]" 1
278 1 9 ILE HA 1 16 LYS H . . 4.550 3.878 3.541 4.186 . 0 0 "[ . 1 . 2]" 1
279 1 9 ILE HA 1 9 ILE HG13 . . 3.840 3.458 3.304 3.735 . 0 0 "[ . 1 . 2]" 1
280 1 9 ILE HA 1 9 ILE MD . . 4.530 3.730 3.114 3.879 . 0 0 "[ . 1 . 2]" 1
281 1 9 ILE HA 1 9 ILE MG . . 3.490 2.358 2.292 2.412 . 0 0 "[ . 1 . 2]" 1
282 1 9 ILE HB 1 100 VAL MG2 . . 5.500 5.451 5.258 5.518 0.018 14 0 "[ . 1 . 2]" 1
283 1 9 ILE HB 1 101 ALA HA . . 3.220 2.077 2.006 2.253 . 0 0 "[ . 1 . 2]" 1
284 1 9 ILE HB 1 101 ALA MB . . 3.130 2.325 2.145 2.788 . 0 0 "[ . 1 . 2]" 1
285 1 9 ILE HB 1 102 LEU H . . 4.050 2.861 2.328 3.574 . 0 0 "[ . 1 . 2]" 1
286 1 9 ILE HB 1 10 LEU H . . 4.310 4.068 3.911 4.299 . 0 0 "[ . 1 . 2]" 1
287 1 9 ILE HG12 1 101 ALA HA . . 3.920 3.993 3.965 4.041 0.121 13 0 "[ . 1 . 2]" 1
288 1 9 ILE HG12 1 15 GLN HG2 . . 4.940 4.545 3.819 4.955 0.015 13 0 "[ . 1 . 2]" 1
289 1 9 ILE HG12 1 15 GLN HG3 . . 4.950 3.040 2.439 3.639 . 0 0 "[ . 1 . 2]" 1
290 1 9 ILE HG12 1 99 ARG QD . . 3.680 3.309 2.826 3.695 0.015 5 0 "[ . 1 . 2]" 1
291 1 9 ILE HG13 1 15 GLN HA . . 5.500 5.398 4.995 5.534 0.034 18 0 "[ . 1 . 2]" 1
292 1 9 ILE HG13 1 15 GLN HG3 . . 5.490 4.699 4.060 5.067 . 0 0 "[ . 1 . 2]" 1
293 1 9 ILE MD 1 101 ALA HA . . 4.630 3.519 3.093 4.644 0.014 18 0 "[ . 1 . 2]" 1
294 1 9 ILE MD 1 101 ALA MB . . 4.110 2.302 2.109 3.699 . 0 0 "[ . 1 . 2]" 1
295 1 9 ILE MD 1 10 LEU H . . 5.490 5.013 4.415 5.348 . 0 0 "[ . 1 . 2]" 1
296 1 9 ILE MD 1 15 GLN HA . . 5.500 5.050 3.812 5.463 . 0 0 "[ . 1 . 2]" 1
297 1 9 ILE MD 1 15 GLN QE . . 5.500 3.546 2.446 4.450 . 0 0 "[ . 1 . 2]" 1
298 1 9 ILE MD 1 15 GLN HG3 . . 5.240 3.656 2.168 4.126 . 0 0 "[ . 1 . 2]" 1
299 1 9 ILE MD 1 99 ARG HG2 . . 4.290 3.977 3.548 4.294 0.004 9 0 "[ . 1 . 2]" 1
300 1 9 ILE MD 1 99 ARG QD . . 4.050 2.422 2.121 2.947 . 0 0 "[ . 1 . 2]" 1
301 1 9 ILE MG 1 102 LEU H . . 4.580 3.962 3.600 4.256 . 0 0 "[ . 1 . 2]" 1
302 1 9 ILE MG 1 10 LEU H . . 4.040 2.637 2.341 3.072 . 0 0 "[ . 1 . 2]" 1
303 1 9 ILE MG 1 10 LEU HA . . 5.060 4.302 4.077 4.702 . 0 0 "[ . 1 . 2]" 1
304 1 9 ILE MG 1 10 LEU QB . . 4.470 4.011 3.777 4.275 . 0 0 "[ . 1 . 2]" 1
305 1 9 ILE MG 1 11 LYS HA . . 5.500 5.058 4.302 5.508 0.008 7 0 "[ . 1 . 2]" 1
306 1 9 ILE MG 1 13 GLY H . . 4.300 3.852 3.646 4.158 . 0 0 "[ . 1 . 2]" 1
307 1 9 ILE MG 1 13 GLY HA2 . . 3.910 2.674 2.476 2.776 . 0 0 "[ . 1 . 2]" 1
308 1 9 ILE MG 1 13 GLY HA3 . . 4.000 4.016 3.855 4.047 0.047 7 0 "[ . 1 . 2]" 1
309 1 9 ILE MG 1 15 GLN QE . . 4.910 2.455 1.842 3.418 . 0 0 "[ . 1 . 2]" 1
310 1 9 ILE MG 1 99 ARG QD . . 4.810 4.945 4.442 5.325 0.515 6 1 "[ .+ 1 . 2]" 1
311 1 10 LEU H 1 10 LEU QB . . 3.650 2.398 2.285 2.488 . 0 0 "[ . 1 . 2]" 1
312 1 10 LEU H 1 10 LEU HG . . 3.680 2.545 2.278 2.895 . 0 0 "[ . 1 . 2]" 1
313 1 10 LEU H 1 10 LEU QD . . 4.090 2.753 2.378 2.940 . 0 0 "[ . 1 . 2]" 1
314 1 10 LEU H 1 11 LYS H . . 5.110 4.685 4.617 4.823 . 0 0 "[ . 1 . 2]" 1
315 1 10 LEU H 1 13 GLY HA3 . . 5.500 5.217 4.993 5.418 . 0 0 "[ . 1 . 2]" 1
316 1 10 LEU H 1 14 SER H . . 4.730 3.695 3.509 3.923 . 0 0 "[ . 1 . 2]" 1
317 1 10 LEU H 1 14 SER HA . . 5.240 4.681 4.567 4.797 . 0 0 "[ . 1 . 2]" 1
318 1 10 LEU H 1 14 SER HB3 . . 5.500 5.316 5.104 5.500 . 0 0 "[ . 1 . 2]" 1
319 1 10 LEU H 1 15 GLN H . . 5.500 4.871 4.724 4.993 . 0 0 "[ . 1 . 2]" 1
320 1 10 LEU H 1 15 GLN HA . . 4.110 3.595 3.243 3.824 . 0 0 "[ . 1 . 2]" 1
321 1 10 LEU H 1 16 LYS H . . 5.270 4.737 4.292 5.088 . 0 0 "[ . 1 . 2]" 1
322 1 10 LEU HA 1 10 LEU MD2 . . 3.100 2.174 2.110 2.251 . 0 0 "[ . 1 . 2]" 1
323 1 10 LEU HA 1 10 LEU QD . . 3.110 2.157 2.096 2.231 . 0 0 "[ . 1 . 2]" 1
324 1 10 LEU HA 1 11 LYS H . . 3.390 2.380 2.321 2.472 . 0 0 "[ . 1 . 2]" 1
325 1 10 LEU QB 1 11 LYS H . . 3.130 2.553 2.309 2.823 . 0 0 "[ . 1 . 2]" 1
326 1 10 LEU QB 1 12 ASP H . . 3.420 2.397 2.006 2.656 . 0 0 "[ . 1 . 2]" 1
327 1 10 LEU QB 1 13 GLY H . . 4.310 2.786 2.382 3.070 . 0 0 "[ . 1 . 2]" 1
328 1 10 LEU QB 1 14 SER H . . 3.780 2.172 2.011 2.419 . 0 0 "[ . 1 . 2]" 1
329 1 10 LEU QB 1 15 GLN H . . 5.270 5.073 4.906 5.118 . 0 0 "[ . 1 . 2]" 1
330 1 10 LEU QB 1 15 GLN QE . . 5.500 4.890 4.293 5.151 . 0 0 "[ . 1 . 2]" 1
331 1 10 LEU QB 1 14 SER HB2 . . 3.990 2.966 2.887 3.059 . 0 0 "[ . 1 . 2]" 1
332 1 10 LEU HG 1 14 SER H . . 5.500 3.655 3.470 3.983 . 0 0 "[ . 1 . 2]" 1
333 1 10 LEU HG 1 15 GLN H . . 4.040 4.123 4.081 4.182 0.142 20 0 "[ . 1 . 2]" 1
334 1 10 LEU HG 1 15 GLN HA . . 3.970 3.609 3.425 3.753 . 0 0 "[ . 1 . 2]" 1
335 1 10 LEU HG 1 15 GLN QE . . 5.500 4.940 4.207 5.242 . 0 0 "[ . 1 . 2]" 1
336 1 10 LEU HG 1 16 LYS H . . 4.530 4.092 3.929 4.317 . 0 0 "[ . 1 . 2]" 1
337 1 10 LEU MD1 1 14 SER H . . 4.090 3.443 3.049 3.938 . 0 0 "[ . 1 . 2]" 1
338 1 10 LEU MD1 1 16 LYS HB3 . . 4.920 4.483 4.297 4.866 . 0 0 "[ . 1 . 2]" 1
339 1 10 LEU MD2 1 12 ASP H . . 4.900 4.754 4.318 4.933 0.033 18 0 "[ . 1 . 2]" 1
340 1 10 LEU QD 1 11 LYS H . . 4.470 3.435 3.223 3.598 . 0 0 "[ . 1 . 2]" 1
341 1 10 LEU QD 1 11 LYS HA . . 5.500 5.325 5.200 5.402 . 0 0 "[ . 1 . 2]" 1
342 1 10 LEU QD 1 12 ASP H . . 4.850 3.694 3.367 3.975 . 0 0 "[ . 1 . 2]" 1
343 1 10 LEU QD 1 14 SER H . . 4.110 3.371 3.012 3.760 . 0 0 "[ . 1 . 2]" 1
344 1 10 LEU QD 1 14 SER HB2 . . 5.300 2.158 2.038 2.578 . 0 0 "[ . 1 . 2]" 1
345 1 10 LEU QD 1 15 GLN H . . 4.580 4.412 4.281 4.524 . 0 0 "[ . 1 . 2]" 1
346 1 10 LEU QD 1 15 GLN HA . . 4.880 3.787 3.353 4.015 . 0 0 "[ . 1 . 2]" 1
347 1 10 LEU QD 1 16 LYS H . . 4.850 3.496 3.322 3.802 . 0 0 "[ . 1 . 2]" 1
348 1 10 LEU QD 1 16 LYS HE3 . . 4.700 3.287 1.940 4.397 . 0 0 "[ . 1 . 2]" 1
349 1 10 LEU QD 1 35 LEU MD2 . . 3.530 1.965 1.838 2.174 . 0 0 "[ . 1 . 2]" 1
350 1 10 LEU QD 1 36 ASP H . . 5.500 2.961 2.380 3.507 . 0 0 "[ . 1 . 2]" 1
351 1 11 LYS H 1 11 LYS HB2 . . 3.590 3.033 2.033 3.637 0.047 7 0 "[ . 1 . 2]" 1
352 1 11 LYS H 1 11 LYS HB3 . . 4.010 3.036 2.408 3.676 . 0 0 "[ . 1 . 2]" 1
353 1 11 LYS H 1 11 LYS QG . . 3.970 2.418 1.872 3.625 . 0 0 "[ . 1 . 2]" 1
354 1 11 LYS H 1 12 ASP H . . 3.710 2.687 2.388 2.909 . 0 0 "[ . 1 . 2]" 1
355 1 11 LYS H 1 13 GLY H . . 5.210 4.045 3.796 4.254 . 0 0 "[ . 1 . 2]" 1
356 1 11 LYS H 1 37 MET HB2 . . 4.070 4.025 3.465 4.158 0.088 5 0 "[ . 1 . 2]" 1
357 1 11 LYS HA 1 11 LYS QG . . 3.720 2.999 2.169 3.549 . 0 0 "[ . 1 . 2]" 1
358 1 11 LYS HA 1 13 GLY H . . 4.460 3.564 3.294 3.834 . 0 0 "[ . 1 . 2]" 1
359 1 11 LYS HB2 1 12 ASP H . . 4.060 3.681 2.787 4.131 0.071 15 0 "[ . 1 . 2]" 1
360 1 11 LYS HB2 1 38 GLU H . . 4.170 4.090 3.593 4.238 0.068 7 0 "[ . 1 . 2]" 1
361 1 11 LYS HB3 1 11 LYS HE3 . . 4.750 3.657 2.076 4.785 0.035 5 0 "[ . 1 . 2]" 1
362 1 11 LYS QD 1 12 ASP H . . 5.410 3.900 2.282 5.438 0.028 6 0 "[ . 1 . 2]" 1
363 1 11 LYS QG 1 13 GLY H . . 5.500 5.196 4.576 5.515 0.015 19 0 "[ . 1 . 2]" 1
364 1 11 LYS QG 1 37 MET HA . . 4.430 2.242 1.918 3.474 . 0 0 "[ . 1 . 2]" 1
365 1 11 LYS QG 1 37 MET HB2 . . 3.620 3.518 2.710 3.698 0.078 15 0 "[ . 1 . 2]" 1
366 1 12 ASP H 1 12 ASP HB2 . . 3.900 2.608 2.265 3.785 . 0 0 "[ . 1 . 2]" 1
367 1 12 ASP H 1 12 ASP HB3 . . 4.190 2.893 2.495 3.712 . 0 0 "[ . 1 . 2]" 1
368 1 12 ASP H 1 13 GLY H . . 3.410 2.620 2.397 2.926 . 0 0 "[ . 1 . 2]" 1
369 1 12 ASP H 1 13 GLY HA2 . . 5.180 4.840 4.578 5.138 . 0 0 "[ . 1 . 2]" 1
370 1 12 ASP H 1 14 SER H . . 4.910 3.877 3.313 4.617 . 0 0 "[ . 1 . 2]" 1
371 1 12 ASP HA 1 13 GLY HA2 . . 5.500 5.050 4.778 5.188 . 0 0 "[ . 1 . 2]" 1
372 1 12 ASP HA 1 13 GLY HA3 . . 5.500 4.564 4.201 4.738 . 0 0 "[ . 1 . 2]" 1
373 1 12 ASP HB2 1 13 GLY H . . 5.460 4.240 3.302 4.561 . 0 0 "[ . 1 . 2]" 1
374 1 12 ASP HB3 1 14 SER H . . 5.460 3.461 2.721 4.849 . 0 0 "[ . 1 . 2]" 1
375 1 14 SER H 1 14 SER HB3 . . 3.700 3.556 3.330 3.718 0.018 15 0 "[ . 1 . 2]" 1
376 1 14 SER H 1 15 GLN H . . 4.950 4.650 4.593 4.706 . 0 0 "[ . 1 . 2]" 1
377 1 14 SER HA 1 15 GLN H . . 2.940 2.362 2.287 2.440 . 0 0 "[ . 1 . 2]" 1
378 1 14 SER HA 1 15 GLN HA . . 4.940 4.564 4.524 4.603 . 0 0 "[ . 1 . 2]" 1
379 1 14 SER HB2 1 15 GLN H . . 3.630 3.196 3.079 3.339 . 0 0 "[ . 1 . 2]" 1
380 1 14 SER HB2 1 16 LYS HD3 . . 4.390 4.155 3.477 4.463 0.073 7 0 "[ . 1 . 2]" 1
381 1 14 SER HB2 1 16 LYS HE2 . . 5.500 4.088 2.776 5.533 0.033 5 0 "[ . 1 . 2]" 1
382 1 14 SER HB2 1 16 LYS HG3 . . 3.930 4.014 3.961 4.065 0.135 14 0 "[ . 1 . 2]" 1
383 1 14 SER HB3 1 15 GLN H . . 3.640 2.663 2.284 3.325 . 0 0 "[ . 1 . 2]" 1
384 1 15 GLN H 1 15 GLN QE . . 5.050 3.173 2.278 3.787 . 0 0 "[ . 1 . 2]" 1
385 1 15 GLN H 1 15 GLN HG2 . . 4.160 4.245 4.205 4.306 0.146 17 0 "[ . 1 . 2]" 1
386 1 15 GLN H 1 15 GLN HG3 . . 5.140 4.196 3.544 4.574 . 0 0 "[ . 1 . 2]" 1
387 1 15 GLN H 1 15 GLN QB . . 3.400 2.473 2.352 2.636 . 0 0 "[ . 1 . 2]" 1
388 1 15 GLN H 1 16 LYS H . . 5.200 4.369 4.286 4.447 . 0 0 "[ . 1 . 2]" 1
389 1 15 GLN HA 1 15 GLN HG3 . . 3.970 2.733 2.447 3.024 . 0 0 "[ . 1 . 2]" 1
390 1 15 GLN HA 1 16 LYS H . . 3.000 2.058 1.985 2.126 . 0 0 "[ . 1 . 2]" 1
391 1 15 GLN HA 1 16 LYS HB2 . . 5.300 4.271 4.000 4.369 . 0 0 "[ . 1 . 2]" 1
392 1 15 GLN HA 1 16 LYS HG2 . . 5.500 3.910 3.645 5.707 0.207 10 0 "[ . 1 . 2]" 1
393 1 15 GLN HA 1 16 LYS HG3 . . 5.500 5.234 4.255 5.505 0.005 7 0 "[ . 1 . 2]" 1
394 1 15 GLN HG3 1 16 LYS H . . 5.500 4.224 4.028 4.421 . 0 0 "[ . 1 . 2]" 1
395 1 15 GLN HG3 1 99 ARG QD . . 5.500 4.748 3.792 5.320 . 0 0 "[ . 1 . 2]" 1
396 1 15 GLN QB 1 16 LYS H . . 3.970 2.990 2.785 3.203 . 0 0 "[ . 1 . 2]" 1
397 1 15 GLN QB 1 17 THR H . . 4.540 4.621 4.574 4.691 0.151 1 0 "[ . 1 . 2]" 1
398 1 16 LYS H 1 16 LYS HB2 . . 4.090 2.634 2.534 2.715 . 0 0 "[ . 1 . 2]" 1
399 1 16 LYS H 1 16 LYS HD2 . . 5.500 4.849 3.530 5.321 . 0 0 "[ . 1 . 2]" 1
400 1 16 LYS H 1 16 LYS HG2 . . 4.810 3.311 3.128 4.645 . 0 0 "[ . 1 . 2]" 1
401 1 16 LYS H 1 16 LYS HG3 . . 4.920 4.281 3.618 4.421 . 0 0 "[ . 1 . 2]" 1
402 1 16 LYS H 1 17 THR H . . 4.970 3.998 3.902 4.112 . 0 0 "[ . 1 . 2]" 1
403 1 16 LYS H 1 17 THR HA . . 4.650 4.683 4.651 4.719 0.069 10 0 "[ . 1 . 2]" 1
404 1 16 LYS HA 1 16 LYS HD2 . . 4.140 2.735 2.155 3.679 . 0 0 "[ . 1 . 2]" 1
405 1 16 LYS HA 1 16 LYS HD3 . . 4.040 3.034 2.357 4.195 0.155 10 0 "[ . 1 . 2]" 1
406 1 16 LYS HA 1 16 LYS HG2 . . 3.830 3.033 2.636 3.205 . 0 0 "[ . 1 . 2]" 1
407 1 16 LYS HA 1 16 LYS QE . . 4.430 3.994 3.130 4.436 0.006 10 0 "[ . 1 . 2]" 1
408 1 16 LYS HA 1 17 THR H . . 2.820 1.895 1.698 1.996 . 0 0 "[ . 1 . 2]" 1
409 1 16 LYS HA 1 17 THR MG . . 4.580 4.156 3.719 4.762 0.182 1 0 "[ . 1 . 2]" 1
410 1 16 LYS HB3 1 16 LYS HE3 . . 4.780 3.542 2.168 5.092 0.312 10 0 "[ . 1 . 2]" 1
411 1 16 LYS HB3 1 17 THR H . . 3.870 3.338 3.148 3.445 . 0 0 "[ . 1 . 2]" 1
412 1 16 LYS HB3 1 18 TYR QE . . 4.060 2.879 2.556 3.111 . 0 0 "[ . 1 . 2]" 1
413 1 16 LYS HB2 1 18 TYR QD . . 5.370 4.852 4.687 5.049 . 0 0 "[ . 1 . 2]" 1
414 1 16 LYS HB2 1 18 TYR QE . . 4.110 4.076 4.011 4.108 . 0 0 "[ . 1 . 2]" 1
415 1 16 LYS HD2 1 17 THR H . . 5.120 4.071 3.539 5.350 0.230 10 0 "[ . 1 . 2]" 1
416 1 16 LYS HD2 1 18 TYR QE . . 5.500 3.381 2.629 5.074 . 0 0 "[ . 1 . 2]" 1
417 1 16 LYS HD3 1 18 TYR QE . . 5.500 4.486 3.796 5.045 . 0 0 "[ . 1 . 2]" 1
418 1 16 LYS HE3 1 18 TYR QE . . 5.500 3.716 2.029 5.554 0.054 10 0 "[ . 1 . 2]" 1
419 1 16 LYS HE3 1 35 LEU MD2 . . 5.500 3.988 2.958 4.600 . 0 0 "[ . 1 . 2]" 1
420 1 16 LYS HE3 1 16 LYS HG2 . . 3.990 3.453 2.846 3.954 . 0 0 "[ . 1 . 2]" 1
421 1 16 LYS HG2 1 18 TYR QE . . 5.070 4.990 3.118 5.129 0.059 14 0 "[ . 1 . 2]" 1
422 1 16 LYS HG2 1 35 LEU MD2 . . 4.990 3.907 3.601 4.179 . 0 0 "[ . 1 . 2]" 1
423 1 16 LYS QE 1 16 LYS HG3 . . 3.610 2.238 2.123 2.482 . 0 0 "[ . 1 . 2]" 1
424 1 16 LYS HG3 1 17 THR H . . 5.320 5.294 3.837 5.434 0.114 20 0 "[ . 1 . 2]" 1
425 1 16 LYS QE 1 35 LEU MD2 . . 3.900 3.666 2.866 3.941 0.041 17 0 "[ . 1 . 2]" 1
426 1 17 THR H 1 17 THR HB . . 3.240 2.960 2.168 3.303 0.063 16 0 "[ . 1 . 2]" 1
427 1 17 THR H 1 17 THR MG . . 4.560 2.702 2.288 3.662 . 0 0 "[ . 1 . 2]" 1
428 1 17 THR H 1 18 TYR QD . . 5.180 3.902 3.214 4.383 . 0 0 "[ . 1 . 2]" 1
429 1 17 THR HA 1 17 THR MG . . 3.480 3.049 2.122 3.251 . 0 0 "[ . 1 . 2]" 1
430 1 17 THR HA 1 18 TYR H . . 2.970 2.117 2.004 2.254 . 0 0 "[ . 1 . 2]" 1
431 1 17 THR HA 1 18 TYR QD . . 4.840 4.277 3.876 4.654 . 0 0 "[ . 1 . 2]" 1
432 1 17 THR HB 1 18 TYR H . . 4.810 4.256 3.969 4.536 . 0 0 "[ . 1 . 2]" 1
433 1 17 THR MG 1 18 TYR H . . 3.880 3.822 3.458 3.939 0.059 17 0 "[ . 1 . 2]" 1
434 1 17 THR MG 1 18 TYR HA . . 5.010 4.396 4.179 5.075 0.065 16 0 "[ . 1 . 2]" 1
435 1 18 TYR H 1 18 TYR HB3 . . 3.990 3.675 3.602 3.772 . 0 0 "[ . 1 . 2]" 1
436 1 18 TYR H 1 18 TYR QD . . 4.050 3.636 3.331 3.920 . 0 0 "[ . 1 . 2]" 1
437 1 18 TYR HA 1 18 TYR QD . . 3.370 2.117 2.050 2.342 . 0 0 "[ . 1 . 2]" 1
438 1 18 TYR HA 1 18 TYR QE . . 4.380 4.418 4.395 4.450 0.070 17 0 "[ . 1 . 2]" 1
439 1 18 TYR HB2 1 20 VAL MG1 . . 3.440 3.466 3.423 3.492 0.052 20 0 "[ . 1 . 2]" 1
440 1 18 TYR HB2 1 29 ILE MG . . 5.070 3.591 3.263 3.728 . 0 0 "[ . 1 . 2]" 1
441 1 18 TYR HB3 1 20 VAL MG1 . . 3.930 3.253 3.080 3.392 . 0 0 "[ . 1 . 2]" 1
442 1 18 TYR QD 1 20 VAL MG1 . . 4.710 4.385 4.115 4.543 . 0 0 "[ . 1 . 2]" 1
443 1 18 TYR QD 1 29 ILE MG . . 3.940 3.075 2.770 3.365 . 0 0 "[ . 1 . 2]" 1
444 1 18 TYR QD 1 33 HIS H . . 5.200 5.223 5.093 5.251 0.051 14 0 "[ . 1 . 2]" 1
445 1 18 TYR QD 1 33 HIS HB2 . . 5.500 3.230 3.029 3.370 . 0 0 "[ . 1 . 2]" 1
446 1 18 TYR QD 1 33 HIS HB3 . . 5.500 2.919 2.626 3.070 . 0 0 "[ . 1 . 2]" 1
447 1 18 TYR QD 1 35 LEU MD1 . . 4.690 3.485 2.986 3.829 . 0 0 "[ . 1 . 2]" 1
448 1 18 TYR QD 1 35 LEU MD2 . . 5.500 3.525 3.231 3.755 . 0 0 "[ . 1 . 2]" 1
449 1 18 TYR QE 1 33 HIS H . . 5.500 5.316 4.878 5.519 0.019 10 0 "[ . 1 . 2]" 1
450 1 18 TYR QE 1 33 HIS HA . . 5.390 4.982 4.624 5.215 . 0 0 "[ . 1 . 2]" 1
451 1 18 TYR QE 1 33 HIS HB2 . . 4.560 3.929 3.505 4.314 . 0 0 "[ . 1 . 2]" 1
452 1 18 TYR QE 1 33 HIS HB3 . . 4.370 2.542 2.164 2.816 . 0 0 "[ . 1 . 2]" 1
453 1 18 TYR QE 1 35 LEU HG . . 4.520 2.405 2.131 2.809 . 0 0 "[ . 1 . 2]" 1
454 1 18 TYR QE 1 35 LEU MD1 . . 4.130 3.334 2.793 3.689 . 0 0 "[ . 1 . 2]" 1
455 1 18 TYR QE 1 35 LEU MD2 . . 4.230 2.206 2.007 2.759 . 0 0 "[ . 1 . 2]" 1
456 1 20 VAL H 1 20 VAL MG1 . . 4.220 3.029 2.840 3.178 . 0 0 "[ . 1 . 2]" 1
457 1 20 VAL H 1 20 VAL MG2 . . 3.630 2.233 2.092 2.444 . 0 0 "[ . 1 . 2]" 1
458 1 20 VAL H 1 29 ILE MD . . 5.500 5.551 5.519 5.579 0.079 5 0 "[ . 1 . 2]" 1
459 1 20 VAL HA 1 20 VAL MG1 . . 3.530 2.373 2.326 2.444 . 0 0 "[ . 1 . 2]" 1
460 1 20 VAL HA 1 21 CYS H . . 3.320 2.467 2.224 2.599 . 0 0 "[ . 1 . 2]" 1
461 1 20 VAL HA 1 21 CYS HB2 . . 4.140 4.176 4.144 4.215 0.075 1 0 "[ . 1 . 2]" 1
462 1 20 VAL HA 1 24 GLU QB . . 5.500 5.194 4.908 5.403 . 0 0 "[ . 1 . 2]" 1
463 1 20 VAL HB 1 21 CYS H . . 3.180 2.150 1.971 2.403 . 0 0 "[ . 1 . 2]" 1
464 1 20 VAL HB 1 24 GLU H . . 5.500 5.214 4.928 5.509 0.009 3 0 "[ . 1 . 2]" 1
465 1 20 VAL HB 1 29 ILE HG12 . . 4.880 3.528 3.333 3.742 . 0 0 "[ . 1 . 2]" 1
466 1 20 VAL HB 1 29 ILE MG . . 5.500 3.900 3.709 4.026 . 0 0 "[ . 1 . 2]" 1
467 1 20 VAL MG1 1 21 CYS H . . 4.550 3.566 3.447 3.679 . 0 0 "[ . 1 . 2]" 1
468 1 20 VAL MG1 1 29 ILE HG13 . . 4.000 3.938 3.662 4.031 0.031 3 0 "[ . 1 . 2]" 1
469 1 20 VAL MG2 1 21 CYS H . . 4.480 3.220 2.722 3.519 . 0 0 "[ . 1 . 2]" 1
470 1 20 VAL MG2 1 21 CYS HA . . 4.730 3.951 3.715 4.218 . 0 0 "[ . 1 . 2]" 1
471 1 20 VAL MG2 1 21 CYS HB2 . . 5.500 5.079 4.669 5.408 . 0 0 "[ . 1 . 2]" 1
472 1 20 VAL MG2 1 21 CYS HB3 . . 5.500 5.353 4.905 5.539 0.039 3 0 "[ . 1 . 2]" 1
473 1 20 VAL MG2 1 22 GLU HA . . 5.410 4.779 4.246 4.989 . 0 0 "[ . 1 . 2]" 1
474 1 20 VAL MG2 1 29 ILE MD . . 3.220 2.383 2.190 2.650 . 0 0 "[ . 1 . 2]" 1
475 1 20 VAL MG2 1 91 MET H . . 5.320 5.211 5.053 5.358 0.038 20 0 "[ . 1 . 2]" 1
476 1 20 VAL MG2 1 91 MET HG2 . . 4.120 3.424 3.213 3.611 . 0 0 "[ . 1 . 2]" 1
477 1 20 VAL MG2 1 91 MET HG3 . . 4.280 2.206 2.062 2.466 . 0 0 "[ . 1 . 2]" 1
478 1 20 VAL MG2 1 91 MET QB . . 5.370 3.255 2.986 3.462 . 0 0 "[ . 1 . 2]" 1
479 1 21 CYS H 1 21 CYS HB3 . . 3.900 3.116 2.559 3.639 . 0 0 "[ . 1 . 2]" 1
480 1 21 CYS H 1 24 GLU H . . 5.240 4.901 4.540 5.260 0.020 1 0 "[ . 1 . 2]" 1
481 1 21 CYS H 1 24 GLU QB . . 5.040 3.780 3.417 4.148 . 0 0 "[ . 1 . 2]" 1
482 1 21 CYS HA 1 22 GLU H . . 3.070 2.402 2.265 2.578 . 0 0 "[ . 1 . 2]" 1
483 1 21 CYS HA 1 22 GLU HA . . 5.120 4.367 4.204 4.512 . 0 0 "[ . 1 . 2]" 1
484 1 21 CYS HA 1 22 GLU QB . . 5.010 4.126 3.872 4.753 . 0 0 "[ . 1 . 2]" 1
485 1 21 CYS HB2 1 22 GLU H . . 3.880 3.860 3.560 3.941 0.061 10 0 "[ . 1 . 2]" 1
486 1 21 CYS HB2 1 24 GLU HG3 . . 4.870 3.896 2.873 4.878 0.008 10 0 "[ . 1 . 2]" 1
487 1 21 CYS HB3 1 22 GLU H . . 4.260 2.915 2.076 3.522 . 0 0 "[ . 1 . 2]" 1
488 1 21 CYS HB3 1 22 GLU QB . . 4.690 4.552 3.932 4.728 0.038 6 0 "[ . 1 . 2]" 1
489 1 21 CYS HB3 1 24 GLU H . . 5.500 4.739 3.997 5.298 . 0 0 "[ . 1 . 2]" 1
490 1 21 CYS HB3 1 24 GLU HG3 . . 4.560 3.809 2.676 4.608 0.048 11 0 "[ . 1 . 2]" 1
491 1 22 GLU H 1 22 GLU HG3 . . 4.090 3.755 2.195 4.187 0.097 10 0 "[ . 1 . 2]" 1
492 1 22 GLU H 1 22 GLU QB . . 3.060 2.230 2.022 3.019 . 0 0 "[ . 1 . 2]" 1
493 1 22 GLU H 1 23 GLY H . . 5.020 4.683 4.602 4.727 . 0 0 "[ . 1 . 2]" 1
494 1 22 GLU H 1 24 GLU H . . 5.390 4.805 4.543 5.033 . 0 0 "[ . 1 . 2]" 1
495 1 22 GLU HA 1 22 GLU HG2 . . 4.070 3.127 2.582 4.143 0.073 20 0 "[ . 1 . 2]" 1
496 1 22 GLU HA 1 22 GLU QG . . 3.810 2.621 2.219 3.499 . 0 0 "[ . 1 . 2]" 1
497 1 22 GLU HA 1 23 GLY H . . 2.890 2.312 2.186 2.428 . 0 0 "[ . 1 . 2]" 1
498 1 22 GLU HA 1 91 MET HG2 . . 4.550 4.555 4.386 4.616 0.066 8 0 "[ . 1 . 2]" 1
499 1 22 GLU HA 1 91 MET QB . . 3.970 2.144 2.065 2.260 . 0 0 "[ . 1 . 2]" 1
500 1 22 GLU HA 1 92 SER H . . 5.500 4.413 3.943 4.847 . 0 0 "[ . 1 . 2]" 1
501 1 22 GLU HA 1 92 SER HA . . 4.420 3.841 3.252 4.173 . 0 0 "[ . 1 . 2]" 1
502 1 22 GLU HG2 1 23 GLY H . . 4.640 3.124 2.228 4.686 0.046 18 0 "[ . 1 . 2]" 1
503 1 22 GLU HG2 1 92 SER HA . . 4.310 3.220 2.539 4.377 0.067 6 0 "[ . 1 . 2]" 1
504 1 22 GLU HG2 1 92 SER HB3 . . 5.500 5.004 4.362 5.572 0.072 6 0 "[ . 1 . 2]" 1
505 1 22 GLU HG3 1 92 SER HA . . 4.600 2.803 2.006 4.650 0.050 20 0 "[ . 1 . 2]" 1
506 1 22 GLU QB 1 23 GLY H . . 4.350 3.348 2.350 3.846 . 0 0 "[ . 1 . 2]" 1
507 1 22 GLU QB 1 92 SER H . . 5.500 5.068 3.850 5.519 0.019 17 0 "[ . 1 . 2]" 1
508 1 22 GLU QG 1 92 SER HA . . 4.100 2.490 1.995 3.885 . 0 0 "[ . 1 . 2]" 1
509 1 23 GLY H 1 24 GLU H . . 3.870 2.899 2.602 3.086 . 0 0 "[ . 1 . 2]" 1
510 1 23 GLY H 1 90 LYS HB3 . . 4.910 4.962 4.931 4.991 0.081 1 0 "[ . 1 . 2]" 1
511 1 23 GLY H 1 90 LYS QD . . 4.750 3.181 2.611 4.436 . 0 0 "[ . 1 . 2]" 1
512 1 23 GLY H 1 91 MET H . . 4.370 3.375 3.130 3.784 . 0 0 "[ . 1 . 2]" 1
513 1 23 GLY H 1 91 MET HG2 . . 5.500 4.625 4.133 5.044 . 0 0 "[ . 1 . 2]" 1
514 1 23 GLY H 1 91 MET QB . . 3.810 2.698 2.349 3.170 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLY H 1 92 SER H . . 5.500 4.776 4.604 4.921 . 0 0 "[ . 1 . 2]" 1
516 1 23 GLY H 1 92 SER HA . . 5.080 4.004 3.584 4.272 . 0 0 "[ . 1 . 2]" 1
517 1 23 GLY QA 1 90 LYS HB3 . . 4.420 3.761 3.520 4.134 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLY QA 1 90 LYS HG2 . . 5.500 3.066 2.645 3.861 . 0 0 "[ . 1 . 2]" 1
519 1 23 GLY QA 1 90 LYS QD . . 4.050 2.755 2.159 4.134 0.084 15 0 "[ . 1 . 2]" 1
520 1 23 GLY QA 1 90 LYS QE . . 3.430 3.290 2.097 3.479 0.049 5 0 "[ . 1 . 2]" 1
521 1 23 GLY QA 1 91 MET H . . 4.640 3.971 3.670 4.507 . 0 0 "[ . 1 . 2]" 1
522 1 24 GLU H 1 24 GLU HG3 . . 3.490 3.283 2.278 3.548 0.058 10 0 "[ . 1 . 2]" 1
523 1 24 GLU H 1 24 GLU QB . . 3.090 2.442 2.210 2.562 . 0 0 "[ . 1 . 2]" 1
524 1 24 GLU H 1 25 THR H . . 4.710 4.640 4.548 4.714 0.004 8 0 "[ . 1 . 2]" 1
525 1 24 GLU H 1 29 ILE MD . . 5.500 4.486 4.192 4.725 . 0 0 "[ . 1 . 2]" 1
526 1 24 GLU H 1 91 MET H . . 4.390 3.476 3.318 3.670 . 0 0 "[ . 1 . 2]" 1
527 1 24 GLU H 1 91 MET HG2 . . 5.360 3.693 3.324 4.236 . 0 0 "[ . 1 . 2]" 1
528 1 24 GLU H 1 91 MET QB . . 4.190 2.856 2.502 3.195 . 0 0 "[ . 1 . 2]" 1
529 1 24 GLU HA 1 24 GLU HG2 . . 4.060 2.910 2.265 3.333 . 0 0 "[ . 1 . 2]" 1
530 1 24 GLU HA 1 25 THR H . . 2.950 2.201 2.085 2.320 . 0 0 "[ . 1 . 2]" 1
531 1 24 GLU HA 1 25 THR HA . . 4.630 4.401 4.272 4.467 . 0 0 "[ . 1 . 2]" 1
532 1 24 GLU QB 1 24 GLU HG2 . . 2.400 2.411 2.360 2.443 0.043 13 0 "[ . 1 . 2]" 1
533 1 24 GLU QB 1 25 THR H . . 3.760 2.946 2.646 3.163 . 0 0 "[ . 1 . 2]" 1
534 1 24 GLU QB 1 28 ASP HB2 . . 5.170 4.212 3.322 4.774 . 0 0 "[ . 1 . 2]" 1
535 1 24 GLU QB 1 28 ASP HB3 . . 5.500 4.447 3.453 5.143 . 0 0 "[ . 1 . 2]" 1
536 1 24 GLU QB 1 29 ILE H . . 4.700 4.499 4.084 4.710 0.010 20 0 "[ . 1 . 2]" 1
537 1 24 GLU QB 1 29 ILE HA . . 4.760 4.655 4.395 4.789 0.029 16 0 "[ . 1 . 2]" 1
538 1 24 GLU QB 1 29 ILE HG12 . . 4.970 2.592 2.350 2.838 . 0 0 "[ . 1 . 2]" 1
539 1 24 GLU QB 1 29 ILE MD . . 4.620 2.287 2.064 2.535 . 0 0 "[ . 1 . 2]" 1
540 1 24 GLU QB 1 91 MET H . . 5.500 3.793 3.607 4.019 . 0 0 "[ . 1 . 2]" 1
541 1 25 THR H 1 25 THR MG . . 3.750 3.590 3.318 3.755 0.005 6 0 "[ . 1 . 2]" 1
542 1 25 THR H 1 26 ILE H . . 4.610 4.627 4.553 4.649 0.039 10 0 "[ . 1 . 2]" 1
543 1 25 THR H 1 28 ASP H . . 5.000 4.293 3.957 4.601 . 0 0 "[ . 1 . 2]" 1
544 1 25 THR H 1 28 ASP HA . . 5.500 5.433 5.195 5.566 0.066 8 0 "[ . 1 . 2]" 1
545 1 25 THR H 1 28 ASP HB2 . . 4.160 2.468 2.166 2.682 . 0 0 "[ . 1 . 2]" 1
546 1 25 THR H 1 28 ASP HB3 . . 3.690 3.428 3.244 3.708 0.018 1 0 "[ . 1 . 2]" 1
547 1 25 THR H 1 29 ILE H . . 5.380 4.386 3.909 4.789 . 0 0 "[ . 1 . 2]" 1
548 1 25 THR H 1 29 ILE MD . . 5.040 4.071 3.513 4.614 . 0 0 "[ . 1 . 2]" 1
549 1 25 THR H 1 91 MET H . . 5.500 5.032 4.924 5.166 . 0 0 "[ . 1 . 2]" 1
550 1 25 THR HA 1 26 ILE H . . 3.430 2.285 2.236 2.399 . 0 0 "[ . 1 . 2]" 1
551 1 25 THR HA 1 26 ILE HA . . 5.100 4.306 4.202 4.413 . 0 0 "[ . 1 . 2]" 1
552 1 25 THR HA 1 26 ILE HB . . 4.760 4.688 4.520 4.803 0.043 1 0 "[ . 1 . 2]" 1
553 1 25 THR HA 1 26 ILE MD . . 5.250 3.322 2.753 4.031 . 0 0 "[ . 1 . 2]" 1
554 1 25 THR HA 1 26 ILE MG . . 5.500 5.520 5.451 5.560 0.060 6 0 "[ . 1 . 2]" 1
555 1 25 THR HA 1 29 ILE MD . . 5.500 4.188 3.940 4.578 . 0 0 "[ . 1 . 2]" 1
556 1 25 THR HA 1 90 LYS H . . 5.230 4.870 4.547 5.277 0.047 8 0 "[ . 1 . 2]" 1
557 1 25 THR HA 1 90 LYS HA . . 3.040 2.399 2.201 2.734 . 0 0 "[ . 1 . 2]" 1
558 1 25 THR HA 1 90 LYS HB2 . . 4.700 3.862 3.735 4.024 . 0 0 "[ . 1 . 2]" 1
559 1 25 THR HA 1 90 LYS HB3 . . 4.920 2.824 2.431 3.314 . 0 0 "[ . 1 . 2]" 1
560 1 25 THR HA 1 90 LYS QD . . 5.500 5.460 5.201 5.559 0.059 20 0 "[ . 1 . 2]" 1
561 1 25 THR HA 1 91 MET H . . 4.050 3.942 3.664 4.086 0.036 10 0 "[ . 1 . 2]" 1
562 1 25 THR HB 1 26 ILE H . . 4.020 3.517 3.227 4.042 0.022 11 0 "[ . 1 . 2]" 1
563 1 25 THR HB 1 26 ILE MD . . 5.500 5.164 4.639 5.557 0.057 1 0 "[ . 1 . 2]" 1
564 1 25 THR HB 1 28 ASP HB2 . . 3.770 2.286 2.124 2.416 . 0 0 "[ . 1 . 2]" 1
565 1 25 THR HB 1 28 ASP HB3 . . 3.800 3.843 3.539 3.905 0.105 10 0 "[ . 1 . 2]" 1
566 1 25 THR HB 1 29 ILE H . . 5.270 4.318 4.054 4.528 . 0 0 "[ . 1 . 2]" 1
567 1 25 THR MG 1 26 ILE H . . 5.030 2.566 2.170 3.024 . 0 0 "[ . 1 . 2]" 1
568 1 25 THR MG 1 28 ASP H . . 4.970 3.704 2.486 4.387 . 0 0 "[ . 1 . 2]" 1
569 1 25 THR MG 1 90 LYS HA . . 3.890 3.501 3.051 3.928 0.038 1 0 "[ . 1 . 2]" 1
570 1 26 ILE H 1 26 ILE HB . . 3.730 2.425 2.267 2.562 . 0 0 "[ . 1 . 2]" 1
571 1 26 ILE H 1 26 ILE HG12 . . 4.690 3.247 1.936 4.031 . 0 0 "[ . 1 . 2]" 1
572 1 26 ILE H 1 26 ILE HG13 . . 4.080 3.661 3.392 4.046 . 0 0 "[ . 1 . 2]" 1
573 1 26 ILE H 1 26 ILE MD . . 4.300 2.417 1.887 3.108 . 0 0 "[ . 1 . 2]" 1
574 1 26 ILE H 1 29 ILE MD . . 5.500 4.189 3.959 4.414 . 0 0 "[ . 1 . 2]" 1
575 1 26 ILE H 1 89 ILE H . . 5.500 4.727 3.954 5.359 . 0 0 "[ . 1 . 2]" 1
576 1 26 ILE H 1 90 LYS HA . . 4.660 3.502 3.210 3.792 . 0 0 "[ . 1 . 2]" 1
577 1 26 ILE H 1 91 MET H . . 5.500 5.349 4.949 5.549 0.049 20 0 "[ . 1 . 2]" 1
578 1 26 ILE HA 1 100 VAL MG2 . . 5.500 4.672 4.388 4.889 . 0 0 "[ . 1 . 2]" 1
579 1 26 ILE HA 1 26 ILE HG12 . . 3.630 3.481 3.135 3.650 0.020 10 0 "[ . 1 . 2]" 1
580 1 26 ILE HA 1 26 ILE HG13 . . 4.030 2.903 2.286 3.839 . 0 0 "[ . 1 . 2]" 1
581 1 26 ILE HA 1 26 ILE MD . . 4.100 2.563 2.068 3.170 . 0 0 "[ . 1 . 2]" 1
582 1 26 ILE HA 1 26 ILE MG . . 3.630 2.485 2.323 2.720 . 0 0 "[ . 1 . 2]" 1
583 1 26 ILE HA 1 29 ILE H . . 4.130 3.391 3.217 3.586 . 0 0 "[ . 1 . 2]" 1
584 1 26 ILE HA 1 29 ILE HB . . 3.500 3.382 3.227 3.510 0.010 14 0 "[ . 1 . 2]" 1
585 1 26 ILE HA 1 29 ILE HG12 . . 5.110 5.106 4.947 5.165 0.055 3 0 "[ . 1 . 2]" 1
586 1 26 ILE HA 1 29 ILE MD . . 3.560 2.471 2.280 2.861 . 0 0 "[ . 1 . 2]" 1
587 1 26 ILE HB 1 28 ASP H . . 5.500 5.038 4.796 5.431 . 0 0 "[ . 1 . 2]" 1
588 1 26 ILE HG13 1 100 VAL MG2 . . 5.380 3.787 3.011 4.152 . 0 0 "[ . 1 . 2]" 1
589 1 26 ILE MD 1 100 VAL MG2 . . 4.730 4.062 2.939 4.747 0.017 8 0 "[ . 1 . 2]" 1
590 1 26 ILE MD 1 90 LYS HA . . 5.140 2.946 2.296 4.028 . 0 0 "[ . 1 . 2]" 1
591 1 26 ILE MD 1 91 MET H . . 5.470 3.949 3.123 4.701 . 0 0 "[ . 1 . 2]" 1
592 1 26 ILE MD 1 91 MET HG2 . . 5.260 3.765 2.876 4.626 . 0 0 "[ . 1 . 2]" 1
593 1 26 ILE MG 1 100 VAL MG2 . . 4.120 2.231 1.997 3.034 . 0 0 "[ . 1 . 2]" 1
594 1 26 ILE MD 1 26 ILE MG . . 3.930 2.881 2.142 3.295 . 0 0 "[ . 1 . 2]" 1
595 1 26 ILE MG 1 28 ASP H . . 5.500 4.932 4.673 5.154 . 0 0 "[ . 1 . 2]" 1
596 1 28 ASP H 1 28 ASP HB3 . . 3.710 3.552 3.498 3.615 . 0 0 "[ . 1 . 2]" 1
597 1 28 ASP H 1 29 ILE H . . 4.070 2.695 2.414 2.888 . 0 0 "[ . 1 . 2]" 1
598 1 28 ASP H 1 29 ILE HA . . 5.500 5.358 5.138 5.500 0.000 20 0 "[ . 1 . 2]" 1
599 1 28 ASP H 1 29 ILE HG13 . . 5.500 4.492 4.164 4.848 . 0 0 "[ . 1 . 2]" 1
600 1 28 ASP H 1 30 ALA H . . 4.390 4.045 3.681 4.366 . 0 0 "[ . 1 . 2]" 1
601 1 28 ASP HA 1 31 GLN H . . 4.130 3.613 3.090 4.133 0.003 15 0 "[ . 1 . 2]" 1
602 1 28 ASP HA 1 31 GLN HB2 . . 3.980 3.215 2.603 4.089 0.109 8 0 "[ . 1 . 2]" 1
603 1 28 ASP HB2 1 29 ILE H . . 4.080 3.000 2.909 3.128 . 0 0 "[ . 1 . 2]" 1
604 1 28 ASP HB2 1 29 ILE HA . . 4.870 4.886 4.728 4.929 0.059 4 0 "[ . 1 . 2]" 1
605 1 28 ASP HB2 1 29 ILE HG13 . . 5.500 3.636 3.449 3.846 . 0 0 "[ . 1 . 2]" 1
606 1 28 ASP HB2 1 29 ILE MD . . 4.640 4.684 4.642 4.712 0.072 10 0 "[ . 1 . 2]" 1
607 1 28 ASP HB3 1 29 ILE H . . 3.850 3.708 3.480 3.861 0.011 2 0 "[ . 1 . 2]" 1
608 1 28 ASP HB3 1 29 ILE HA . . 5.050 4.534 4.251 4.690 . 0 0 "[ . 1 . 2]" 1
609 1 28 ASP HB3 1 29 ILE HG13 . . 4.590 4.163 3.866 4.349 . 0 0 "[ . 1 . 2]" 1
610 1 29 ILE H 1 29 ILE HB . . 2.960 2.852 2.778 2.976 0.016 15 0 "[ . 1 . 2]" 1
611 1 29 ILE H 1 29 ILE HG12 . . 4.000 3.772 3.584 3.932 . 0 0 "[ . 1 . 2]" 1
612 1 29 ILE H 1 29 ILE HG13 . . 3.180 2.340 2.233 2.486 . 0 0 "[ . 1 . 2]" 1
613 1 29 ILE H 1 29 ILE MD . . 4.120 3.352 3.206 3.565 . 0 0 "[ . 1 . 2]" 1
614 1 29 ILE H 1 29 ILE MG . . 4.640 3.882 3.861 3.902 . 0 0 "[ . 1 . 2]" 1
615 1 29 ILE H 1 30 ALA H . . 2.530 2.500 2.380 2.549 0.019 20 0 "[ . 1 . 2]" 1
616 1 29 ILE HA 1 29 ILE HG12 . . 3.590 2.950 2.841 3.024 . 0 0 "[ . 1 . 2]" 1
617 1 29 ILE HA 1 29 ILE HG13 . . 3.420 2.979 2.820 3.178 . 0 0 "[ . 1 . 2]" 1
618 1 29 ILE HA 1 29 ILE MD . . 4.390 4.012 3.963 4.049 . 0 0 "[ . 1 . 2]" 1
619 1 29 ILE HA 1 29 ILE MG . . 3.440 2.183 2.101 2.244 . 0 0 "[ . 1 . 2]" 1
620 1 29 ILE HA 1 30 ALA HA . . 4.870 4.714 4.688 4.771 . 0 0 "[ . 1 . 2]" 1
621 1 29 ILE HA 1 31 GLN H . . 4.910 4.444 3.769 4.767 . 0 0 "[ . 1 . 2]" 1
622 1 29 ILE HA 1 33 HIS HB3 . . 4.910 4.988 4.934 5.023 0.113 19 0 "[ . 1 . 2]" 1
623 1 29 ILE HB 1 30 ALA H . . 3.370 3.009 2.807 3.313 . 0 0 "[ . 1 . 2]" 1
624 1 29 ILE HB 1 30 ALA HA . . 4.660 4.318 4.139 4.502 . 0 0 "[ . 1 . 2]" 1
625 1 29 ILE HB 1 35 LEU MD1 . . 5.500 4.474 4.353 4.651 . 0 0 "[ . 1 . 2]" 1
626 1 29 ILE MD 1 91 MET H . . 5.180 4.035 3.643 4.473 . 0 0 "[ . 1 . 2]" 1
627 1 29 ILE MD 1 91 MET HG2 . . 4.080 2.414 2.179 2.795 . 0 0 "[ . 1 . 2]" 1
628 1 29 ILE MD 1 91 MET HG3 . . 3.980 2.806 2.327 3.354 . 0 0 "[ . 1 . 2]" 1
629 1 29 ILE HG13 1 29 ILE MG . . 3.550 3.130 3.082 3.190 . 0 0 "[ . 1 . 2]" 1
630 1 29 ILE MD 1 29 ILE MG . . 3.230 2.420 2.352 2.492 . 0 0 "[ . 1 . 2]" 1
631 1 29 ILE MG 1 30 ALA H . . 4.110 3.891 3.681 4.068 . 0 0 "[ . 1 . 2]" 1
632 1 29 ILE MG 1 30 ALA HA . . 4.470 3.893 3.558 4.072 . 0 0 "[ . 1 . 2]" 1
633 1 29 ILE MG 1 31 GLN H . . 5.500 5.262 4.896 5.443 . 0 0 "[ . 1 . 2]" 1
634 1 29 ILE MG 1 33 HIS H . . 3.840 3.451 3.282 3.703 . 0 0 "[ . 1 . 2]" 1
635 1 29 ILE MG 1 34 ASN H . . 5.500 5.379 5.164 5.533 0.033 6 0 "[ . 1 . 2]" 1
636 1 29 ILE MG 1 35 LEU MD1 . . 4.860 3.819 3.589 4.029 . 0 0 "[ . 1 . 2]" 1
637 1 30 ALA H 1 30 ALA MB . . 3.370 2.219 2.170 2.247 . 0 0 "[ . 1 . 2]" 1
638 1 30 ALA H 1 31 GLN H . . 3.770 2.844 2.382 2.936 . 0 0 "[ . 1 . 2]" 1
639 1 30 ALA H 1 31 GLN HA . . 5.500 5.495 5.173 5.529 0.029 17 0 "[ . 1 . 2]" 1
640 1 30 ALA H 1 31 GLN HB2 . . 5.500 5.027 4.811 5.603 0.103 8 0 "[ . 1 . 2]" 1
641 1 30 ALA H 1 35 LEU MD1 . . 5.460 3.992 3.844 4.243 . 0 0 "[ . 1 . 2]" 1
642 1 30 ALA HA 1 102 LEU QD . . 5.500 4.006 3.673 4.896 . 0 0 "[ . 1 . 2]" 1
643 1 30 ALA HA 1 31 GLN HA . . 5.500 4.781 4.691 4.880 . 0 0 "[ . 1 . 2]" 1
644 1 30 ALA HA 1 32 GLY H . . 5.220 4.854 4.525 5.242 0.022 8 0 "[ . 1 . 2]" 1
645 1 30 ALA HA 1 33 HIS H . . 4.120 4.008 3.909 4.144 0.024 9 0 "[ . 1 . 2]" 1
646 1 30 ALA HA 1 33 HIS HB2 . . 4.450 4.379 4.168 4.485 0.035 3 0 "[ . 1 . 2]" 1
647 1 30 ALA HA 1 33 HIS HB3 . . 3.960 3.983 3.932 4.029 0.069 9 0 "[ . 1 . 2]" 1
648 1 30 ALA HA 1 34 ASN H . . 5.500 4.853 4.601 4.989 . 0 0 "[ . 1 . 2]" 1
649 1 30 ALA HA 1 35 LEU H . . 4.110 3.540 3.335 3.717 . 0 0 "[ . 1 . 2]" 1
650 1 30 ALA HA 1 35 LEU HB2 . . 4.030 2.922 2.685 3.127 . 0 0 "[ . 1 . 2]" 1
651 1 30 ALA HA 1 35 LEU HB3 . . 4.740 4.285 4.052 4.449 . 0 0 "[ . 1 . 2]" 1
652 1 30 ALA HA 1 35 LEU HG . . 3.890 2.990 2.753 3.504 . 0 0 "[ . 1 . 2]" 1
653 1 30 ALA HA 1 35 LEU MD1 . . 3.460 1.967 1.912 2.054 . 0 0 "[ . 1 . 2]" 1
654 1 30 ALA HA 1 35 LEU MD2 . . 4.840 4.252 4.093 4.584 . 0 0 "[ . 1 . 2]" 1
655 1 30 ALA MB 1 31 GLN H . . 3.800 2.540 2.403 2.714 . 0 0 "[ . 1 . 2]" 1
656 1 30 ALA MB 1 31 GLN HB2 . . 4.490 4.368 4.009 4.504 0.014 2 0 "[ . 1 . 2]" 1
657 1 30 ALA MB 1 31 GLN HG2 . . 5.080 3.877 3.228 5.130 0.050 8 0 "[ . 1 . 2]" 1
658 1 30 ALA MB 1 32 GLY H . . 5.400 4.670 4.390 4.969 . 0 0 "[ . 1 . 2]" 1
659 1 30 ALA MB 1 35 LEU MD1 . . 3.980 2.344 2.172 2.944 . 0 0 "[ . 1 . 2]" 1
660 1 31 GLN H 1 31 GLN HB2 . . 3.420 2.411 2.270 3.373 . 0 0 "[ . 1 . 2]" 1
661 1 31 GLN H 1 31 GLN HG2 . . 3.760 3.124 2.430 3.768 0.008 16 0 "[ . 1 . 2]" 1
662 1 31 GLN H 1 31 GLN HG3 . . 4.100 3.392 2.363 4.052 . 0 0 "[ . 1 . 2]" 1
663 1 31 GLN H 1 32 GLY H . . 3.540 2.682 2.514 2.862 . 0 0 "[ . 1 . 2]" 1
664 1 31 GLN H 1 32 GLY HA3 . . 5.080 4.944 4.789 5.097 0.017 9 0 "[ . 1 . 2]" 1
665 1 31 GLN H 1 33 HIS H . . 4.810 4.195 3.778 4.398 . 0 0 "[ . 1 . 2]" 1
666 1 31 GLN H 1 34 ASN H . . 5.500 4.815 4.632 5.029 . 0 0 "[ . 1 . 2]" 1
667 1 31 GLN H 1 35 LEU H . . 5.500 5.140 4.949 5.293 . 0 0 "[ . 1 . 2]" 1
668 1 31 GLN HA 1 31 GLN HE22 . . 5.500 4.711 3.384 5.649 0.149 16 0 "[ . 1 . 2]" 1
669 1 31 GLN HA 1 31 GLN HG2 . . 4.250 2.701 2.129 4.089 . 0 0 "[ . 1 . 2]" 1
670 1 31 GLN HA 1 31 GLN HG3 . . 3.290 3.421 2.831 3.659 0.369 14 0 "[ . 1 . 2]" 1
671 1 31 GLN HA 1 33 HIS H . . 4.480 4.272 3.975 4.514 0.034 2 0 "[ . 1 . 2]" 1
672 1 31 GLN HA 1 34 ASN H . . 3.960 3.263 2.813 3.635 . 0 0 "[ . 1 . 2]" 1
673 1 31 GLN HA 1 34 ASN HA . . 4.280 3.080 2.670 3.424 . 0 0 "[ . 1 . 2]" 1
674 1 31 GLN HA 1 34 ASN HD22 . . 4.090 4.182 4.136 4.261 0.171 8 0 "[ . 1 . 2]" 1
675 1 31 GLN HA 1 35 LEU H . . 4.040 3.986 3.616 4.102 0.062 10 0 "[ . 1 . 2]" 1
676 1 31 GLN HA 1 35 LEU HB2 . . 5.130 4.892 4.576 5.085 . 0 0 "[ . 1 . 2]" 1
677 1 31 GLN HB2 1 31 GLN HE22 . . 5.500 4.710 3.217 5.461 . 0 0 "[ . 1 . 2]" 1
678 1 31 GLN HB2 1 31 GLN HG3 . . 2.890 2.419 2.299 2.686 . 0 0 "[ . 1 . 2]" 1
679 1 31 GLN HB2 1 32 GLY H . . 3.700 2.952 2.478 3.822 0.122 8 0 "[ . 1 . 2]" 1
680 1 31 GLN HB3 1 31 GLN HE22 . . 5.500 4.065 3.430 4.733 . 0 0 "[ . 1 . 2]" 1
681 1 31 GLN HB3 1 32 GLY H . . 4.090 3.593 3.208 4.053 . 0 0 "[ . 1 . 2]" 1
682 1 31 GLN HB3 1 33 HIS H . . 5.500 5.512 5.434 5.571 0.071 20 0 "[ . 1 . 2]" 1
683 1 31 GLN HG2 1 32 GLY H . . 5.190 4.789 2.402 5.214 0.024 5 0 "[ . 1 . 2]" 1
684 1 31 GLN HG3 1 32 GLY H . . 5.380 4.852 2.409 5.389 0.009 15 0 "[ . 1 . 2]" 1
685 1 32 GLY H 1 32 GLY HA3 . . 2.870 2.296 2.272 2.328 . 0 0 "[ . 1 . 2]" 1
686 1 32 GLY H 1 33 HIS H . . 3.570 2.831 2.451 3.003 . 0 0 "[ . 1 . 2]" 1
687 1 32 GLY H 1 34 ASN H . . 5.330 3.969 3.657 4.082 . 0 0 "[ . 1 . 2]" 1
688 1 32 GLY HA2 1 34 ASN HD21 . . 4.760 4.218 3.571 4.474 . 0 0 "[ . 1 . 2]" 1
689 1 32 GLY HA3 1 33 HIS H . . 3.510 3.009 2.821 3.255 . 0 0 "[ . 1 . 2]" 1
690 1 32 GLY HA3 1 33 HIS HA . . 4.590 4.525 4.419 4.609 0.019 8 0 "[ . 1 . 2]" 1
691 1 32 GLY HA3 1 34 ASN H . . 4.610 4.385 4.235 4.542 . 0 0 "[ . 1 . 2]" 1
692 1 32 GLY HA3 1 34 ASN HD21 . . 5.500 5.466 4.759 5.619 0.119 8 0 "[ . 1 . 2]" 1
693 1 32 GLY HA3 1 34 ASN HD22 . . 5.500 5.191 4.556 5.554 0.054 19 0 "[ . 1 . 2]" 1
694 1 33 HIS H 1 33 HIS HB2 . . 3.310 2.261 2.129 2.387 . 0 0 "[ . 1 . 2]" 1
695 1 33 HIS H 1 33 HIS HB3 . . 3.700 2.866 2.738 2.979 . 0 0 "[ . 1 . 2]" 1
696 1 33 HIS H 1 34 ASN H . . 3.320 2.400 2.201 2.561 . 0 0 "[ . 1 . 2]" 1
697 1 33 HIS H 1 34 ASN HD21 . . 5.080 4.694 4.300 5.097 0.017 13 0 "[ . 1 . 2]" 1
698 1 33 HIS H 1 35 LEU H . . 4.240 3.908 3.797 4.043 . 0 0 "[ . 1 . 2]" 1
699 1 33 HIS H 1 35 LEU HG . . 4.840 4.627 4.434 4.855 0.015 5 0 "[ . 1 . 2]" 1
700 1 33 HIS H 1 35 LEU MD1 . . 4.880 4.917 4.889 4.942 0.062 20 0 "[ . 1 . 2]" 1
701 1 33 HIS HA 1 34 ASN HB2 . . 5.500 4.456 4.156 4.802 . 0 0 "[ . 1 . 2]" 1
702 1 33 HIS HA 1 34 ASN HD22 . . 5.500 5.270 4.725 5.528 0.028 6 0 "[ . 1 . 2]" 1
703 1 33 HIS HA 1 35 LEU H . . 5.320 4.938 4.813 5.021 . 0 0 "[ . 1 . 2]" 1
704 1 33 HIS HB2 1 34 ASN H . . 4.550 4.025 3.857 4.121 . 0 0 "[ . 1 . 2]" 1
705 1 33 HIS HB2 1 35 LEU H . . 4.390 4.609 4.566 4.633 0.243 15 0 "[ . 1 . 2]" 1
706 1 33 HIS HB2 1 35 LEU HG . . 4.400 4.146 3.976 4.373 . 0 0 "[ . 1 . 2]" 1
707 1 33 HIS HB2 1 35 LEU MD1 . . 4.970 4.463 4.265 4.695 . 0 0 "[ . 1 . 2]" 1
708 1 33 HIS HB2 1 35 LEU MD2 . . 5.500 5.107 4.777 5.460 . 0 0 "[ . 1 . 2]" 1
709 1 33 HIS HB3 1 34 ASN H . . 5.340 3.660 3.492 3.836 . 0 0 "[ . 1 . 2]" 1
710 1 33 HIS HB3 1 35 LEU H . . 5.400 3.375 3.140 3.631 . 0 0 "[ . 1 . 2]" 1
711 1 33 HIS HB3 1 35 LEU HG . . 4.490 2.743 2.560 2.989 . 0 0 "[ . 1 . 2]" 1
712 1 33 HIS HB3 1 35 LEU MD1 . . 4.620 3.748 3.439 3.971 . 0 0 "[ . 1 . 2]" 1
713 1 33 HIS HB3 1 35 LEU MD2 . . 5.000 3.874 3.561 4.307 . 0 0 "[ . 1 . 2]" 1
714 1 34 ASN H 1 34 ASN HA . . 2.770 2.242 2.194 2.272 . 0 0 "[ . 1 . 2]" 1
715 1 34 ASN H 1 34 ASN HB2 . . 4.080 3.411 3.211 3.705 . 0 0 "[ . 1 . 2]" 1
716 1 34 ASN H 1 34 ASN HB3 . . 4.080 3.975 3.906 4.042 . 0 0 "[ . 1 . 2]" 1
717 1 34 ASN H 1 34 ASN HD21 . . 5.500 2.762 2.383 3.040 . 0 0 "[ . 1 . 2]" 1
718 1 34 ASN H 1 35 LEU H . . 3.560 2.846 2.708 2.961 . 0 0 "[ . 1 . 2]" 1
719 1 34 ASN H 1 35 LEU HG . . 5.100 4.748 4.520 5.025 . 0 0 "[ . 1 . 2]" 1
720 1 34 ASN H 1 35 LEU MD1 . . 5.500 5.458 5.335 5.536 0.036 8 0 "[ . 1 . 2]" 1
721 1 34 ASN HA 1 34 ASN HB3 . . 2.850 2.507 2.350 2.644 . 0 0 "[ . 1 . 2]" 1
722 1 34 ASN HA 1 35 LEU H . . 3.350 2.536 2.399 2.684 . 0 0 "[ . 1 . 2]" 1
723 1 34 ASN HB2 1 35 LEU H . . 4.330 4.389 4.355 4.419 0.089 2 0 "[ . 1 . 2]" 1
724 1 34 ASN HB3 1 35 LEU H . . 5.280 4.436 4.339 4.536 . 0 0 "[ . 1 . 2]" 1
725 1 35 LEU H 1 35 LEU HB2 . . 3.470 2.338 2.224 2.422 . 0 0 "[ . 1 . 2]" 1
726 1 35 LEU H 1 35 LEU HB3 . . 3.910 3.618 3.558 3.680 . 0 0 "[ . 1 . 2]" 1
727 1 35 LEU H 1 35 LEU HG . . 3.530 2.553 2.375 2.790 . 0 0 "[ . 1 . 2]" 1
728 1 35 LEU H 1 35 LEU MD1 . . 4.450 3.665 3.525 3.768 . 0 0 "[ . 1 . 2]" 1
729 1 35 LEU H 1 35 LEU MD2 . . 4.250 3.754 3.551 3.960 . 0 0 "[ . 1 . 2]" 1
730 1 35 LEU H 1 36 ASP H . . 4.760 4.691 4.607 4.769 0.009 12 0 "[ . 1 . 2]" 1
731 1 35 LEU HA 1 35 LEU HG . . 3.970 2.846 2.745 2.966 . 0 0 "[ . 1 . 2]" 1
732 1 35 LEU HA 1 35 LEU MD1 . . 4.330 3.902 3.858 3.957 . 0 0 "[ . 1 . 2]" 1
733 1 35 LEU HA 1 35 LEU MD2 . . 3.200 2.107 2.037 2.218 . 0 0 "[ . 1 . 2]" 1
734 1 35 LEU HA 1 36 ASP H . . 3.110 2.197 2.094 2.312 . 0 0 "[ . 1 . 2]" 1
735 1 35 LEU HB2 1 35 LEU MD1 . . 3.640 2.300 2.182 2.434 . 0 0 "[ . 1 . 2]" 1
736 1 35 LEU HB2 1 36 ASP H . . 4.250 4.212 4.135 4.260 0.010 1 0 "[ . 1 . 2]" 1
737 1 35 LEU HB3 1 35 LEU MD1 . . 3.550 2.576 2.493 2.702 . 0 0 "[ . 1 . 2]" 1
738 1 35 LEU HB3 1 35 LEU MD2 . . 3.450 2.355 2.281 2.473 . 0 0 "[ . 1 . 2]" 1
739 1 35 LEU HB3 1 36 ASP H . . 3.390 3.113 2.966 3.227 . 0 0 "[ . 1 . 2]" 1
740 1 35 LEU HB3 1 36 ASP HB2 . . 5.500 5.423 4.969 5.558 0.058 20 0 "[ . 1 . 2]" 1
741 1 35 LEU HB3 1 37 MET HB2 . . 3.680 3.774 3.682 3.852 0.172 9 0 "[ . 1 . 2]" 1
742 1 35 LEU MD1 1 102 LEU MD1 . . 3.840 2.710 2.026 3.541 . 0 0 "[ . 1 . 2]" 1
743 1 35 LEU MD1 1 102 LEU QD . . 3.840 2.450 2.011 3.491 . 0 0 "[ . 1 . 2]" 1
744 1 35 LEU MD1 1 36 ASP H . . 5.030 4.904 4.742 5.060 0.030 3 0 "[ . 1 . 2]" 1
745 1 35 LEU MD1 1 37 MET HB3 . . 5.500 3.967 3.548 5.553 0.053 5 0 "[ . 1 . 2]" 1
746 1 35 LEU MD2 1 36 ASP H . . 4.330 3.136 2.904 3.339 . 0 0 "[ . 1 . 2]" 1
747 1 35 LEU MD2 1 36 ASP HA . . 5.500 5.423 5.197 5.543 0.043 3 0 "[ . 1 . 2]" 1
748 1 36 ASP H 1 36 ASP HB2 . . 3.360 2.513 2.198 2.707 . 0 0 "[ . 1 . 2]" 1
749 1 36 ASP H 1 36 ASP HB3 . . 3.500 2.737 2.372 3.595 0.095 3 0 "[ . 1 . 2]" 1
750 1 36 ASP H 1 37 MET H . . 4.240 3.901 3.710 4.151 . 0 0 "[ . 1 . 2]" 1
751 1 36 ASP HA 1 37 MET H . . 2.800 2.067 1.934 2.267 . 0 0 "[ . 1 . 2]" 1
752 1 36 ASP HA 1 37 MET QG . . 4.190 4.192 4.051 4.241 0.051 6 0 "[ . 1 . 2]" 1
753 1 36 ASP HA 1 38 GLU H . . 5.500 5.701 5.655 5.745 0.245 13 0 "[ . 1 . 2]" 1
754 1 36 ASP HB2 1 37 MET H . . 4.510 4.463 4.355 4.528 0.018 5 0 "[ . 1 . 2]" 1
755 1 36 ASP HB3 1 37 MET H . . 5.100 4.368 3.962 4.486 . 0 0 "[ . 1 . 2]" 1
756 1 37 MET H 1 37 MET HB2 . . 4.030 3.830 2.870 3.976 . 0 0 "[ . 1 . 2]" 1
757 1 37 MET H 1 37 MET HB3 . . 3.780 3.027 2.818 3.856 0.076 5 0 "[ . 1 . 2]" 1
758 1 37 MET H 1 37 MET QG . . 4.170 2.592 2.370 3.020 . 0 0 "[ . 1 . 2]" 1
759 1 37 MET H 1 38 GLU H . . 5.180 4.117 3.963 4.230 . 0 0 "[ . 1 . 2]" 1
760 1 37 MET HA 1 37 MET QG . . 3.710 3.461 2.614 3.557 . 0 0 "[ . 1 . 2]" 1
761 1 37 MET HA 1 38 GLU H . . 3.560 2.102 2.019 2.235 . 0 0 "[ . 1 . 2]" 1
762 1 37 MET HA 1 38 GLU QG . . 4.120 3.917 3.581 4.136 0.016 20 0 "[ . 1 . 2]" 1
763 1 37 MET HB2 1 38 GLU H . . 5.500 3.565 3.154 3.839 . 0 0 "[ . 1 . 2]" 1
764 1 38 GLU H 1 38 GLU HB3 . . 4.110 3.456 2.578 3.864 . 0 0 "[ . 1 . 2]" 1
765 1 38 GLU HB2 1 38 GLU QG . . 2.610 2.301 2.163 2.519 . 0 0 "[ . 1 . 2]" 1
766 1 52 VAL H 1 52 VAL MG2 . . 4.320 2.337 2.169 2.643 . 0 0 "[ . 1 . 2]" 1
767 1 52 VAL H 1 53 ILE H . . 5.500 4.446 4.354 4.530 . 0 0 "[ . 1 . 2]" 1
768 1 52 VAL H 1 53 ILE HA . . 5.500 4.932 4.708 5.140 . 0 0 "[ . 1 . 2]" 1
769 1 52 VAL H 1 83 SER HA . . 5.310 5.112 4.764 5.330 0.020 3 0 "[ . 1 . 2]" 1
770 1 52 VAL HA 1 100 VAL MG2 . . 5.350 4.740 4.582 5.155 . 0 0 "[ . 1 . 2]" 1
771 1 52 VAL HA 1 101 ALA MB . . 4.820 4.817 4.361 4.905 0.085 9 0 "[ . 1 . 2]" 1
772 1 52 VAL HA 1 52 VAL MG1 . . 3.440 2.155 2.092 2.232 . 0 0 "[ . 1 . 2]" 1
773 1 52 VAL HA 1 53 ILE H . . 3.090 2.262 2.141 2.431 . 0 0 "[ . 1 . 2]" 1
774 1 52 VAL HA 1 53 ILE HA . . 5.290 4.469 4.386 4.584 . 0 0 "[ . 1 . 2]" 1
775 1 52 VAL HA 1 53 ILE MG . . 4.670 3.563 3.397 3.756 . 0 0 "[ . 1 . 2]" 1
776 1 52 VAL HB 1 100 VAL HA . . 5.290 4.904 4.359 5.352 0.062 14 0 "[ . 1 . 2]" 1
777 1 52 VAL HB 1 100 VAL HB . . 3.090 2.839 2.442 3.156 0.066 14 0 "[ . 1 . 2]" 1
778 1 52 VAL HB 1 100 VAL MG1 . . 4.440 2.734 2.442 3.275 . 0 0 "[ . 1 . 2]" 1
779 1 52 VAL HB 1 100 VAL MG2 . . 4.130 3.713 3.550 3.931 . 0 0 "[ . 1 . 2]" 1
780 1 52 VAL HB 1 101 ALA H . . 4.530 4.431 3.983 4.591 0.061 12 0 "[ . 1 . 2]" 1
781 1 52 VAL HB 1 53 ILE H . . 3.360 2.683 2.450 3.030 . 0 0 "[ . 1 . 2]" 1
782 1 52 VAL HB 1 53 ILE HA . . 5.500 3.695 3.554 3.969 . 0 0 "[ . 1 . 2]" 1
783 1 52 VAL MG1 1 100 VAL HB . . 4.330 2.210 1.881 2.431 . 0 0 "[ . 1 . 2]" 1
784 1 52 VAL MG1 1 53 ILE H . . 4.470 2.797 1.873 3.171 . 0 0 "[ . 1 . 2]" 1
785 1 52 VAL MG1 1 53 ILE HA . . 4.860 4.779 4.172 4.928 0.068 6 0 "[ . 1 . 2]" 1
786 1 52 VAL MG1 1 54 VAL HB . . 5.500 5.586 5.523 5.658 0.158 12 0 "[ . 1 . 2]" 1
787 1 52 VAL MG1 1 84 ARG H . . 5.260 5.147 4.618 5.310 0.050 1 0 "[ . 1 . 2]" 1
788 1 52 VAL MG2 1 53 ILE H . . 4.350 4.067 3.825 4.272 . 0 0 "[ . 1 . 2]" 1
789 1 53 ILE H 1 100 VAL MG2 . . 5.470 4.535 4.382 4.772 . 0 0 "[ . 1 . 2]" 1
790 1 53 ILE H 1 101 ALA H . . 4.150 2.786 2.500 2.981 . 0 0 "[ . 1 . 2]" 1
791 1 53 ILE H 1 101 ALA MB . . 4.100 3.589 3.225 3.733 . 0 0 "[ . 1 . 2]" 1
792 1 53 ILE H 1 53 ILE HB . . 3.240 3.239 3.144 3.281 0.041 7 0 "[ . 1 . 2]" 1
793 1 53 ILE H 1 53 ILE HG12 . . 4.260 4.291 4.279 4.307 0.047 15 0 "[ . 1 . 2]" 1
794 1 53 ILE H 1 53 ILE HG13 . . 4.890 4.857 4.787 4.894 0.004 18 0 "[ . 1 . 2]" 1
795 1 53 ILE H 1 53 ILE MD . . 4.400 4.430 4.401 4.452 0.052 6 0 "[ . 1 . 2]" 1
796 1 53 ILE H 1 53 ILE MG . . 3.940 2.178 2.107 2.209 . 0 0 "[ . 1 . 2]" 1
797 1 53 ILE H 1 54 VAL H . . 5.190 4.328 4.257 4.391 . 0 0 "[ . 1 . 2]" 1
798 1 53 ILE H 1 83 SER HA . . 5.320 4.561 4.446 4.691 . 0 0 "[ . 1 . 2]" 1
799 1 53 ILE H 1 84 ARG H . . 5.500 4.562 4.077 4.853 . 0 0 "[ . 1 . 2]" 1
800 1 53 ILE HA 1 101 ALA H . . 5.500 4.629 4.494 4.712 . 0 0 "[ . 1 . 2]" 1
801 1 53 ILE HA 1 53 ILE HG12 . . 3.630 2.551 2.447 2.640 . 0 0 "[ . 1 . 2]" 1
802 1 53 ILE HA 1 53 ILE HG13 . . 3.850 2.776 2.663 2.884 . 0 0 "[ . 1 . 2]" 1
803 1 53 ILE HA 1 53 ILE MD . . 3.630 3.749 3.699 3.814 0.184 7 0 "[ . 1 . 2]" 1
804 1 53 ILE HA 1 54 VAL H . . 2.960 2.169 2.024 2.245 . 0 0 "[ . 1 . 2]" 1
805 1 53 ILE HA 1 54 VAL HB . . 4.500 3.931 3.734 4.088 . 0 0 "[ . 1 . 2]" 1
806 1 53 ILE HA 1 54 VAL MG1 . . 4.300 3.969 3.793 4.125 . 0 0 "[ . 1 . 2]" 1
807 1 53 ILE HA 1 83 SER HA . . 3.050 2.004 1.901 2.143 . 0 0 "[ . 1 . 2]" 1
808 1 53 ILE HA 1 84 ARG HB3 . . 4.480 4.485 3.014 4.729 0.249 7 0 "[ . 1 . 2]" 1
809 1 53 ILE HB 1 53 ILE MD . . 3.370 2.806 2.726 2.886 . 0 0 "[ . 1 . 2]" 1
810 1 53 ILE HB 1 54 VAL H . . 5.040 4.045 3.991 4.091 . 0 0 "[ . 1 . 2]" 1
811 1 53 ILE HB 1 83 SER HA . . 4.400 2.693 2.524 2.903 . 0 0 "[ . 1 . 2]" 1
812 1 53 ILE HG12 1 101 ALA H . . 4.490 4.598 4.567 4.640 0.150 15 0 "[ . 1 . 2]" 1
813 1 53 ILE HG12 1 54 VAL HA . . 4.020 4.084 4.051 4.121 0.101 5 0 "[ . 1 . 2]" 1
814 1 53 ILE HG13 1 54 VAL H . . 5.170 3.210 3.094 3.367 . 0 0 "[ . 1 . 2]" 1
815 1 53 ILE HG13 1 83 SER HA . . 5.500 2.583 2.301 2.678 . 0 0 "[ . 1 . 2]" 1
816 1 53 ILE MD 1 100 VAL HA . . 5.130 5.163 5.069 5.200 0.070 9 0 "[ . 1 . 2]" 1
817 1 53 ILE MD 1 54 VAL H . . 4.090 3.608 3.525 3.701 . 0 0 "[ . 1 . 2]" 1
818 1 53 ILE MD 1 54 VAL HA . . 4.970 4.716 4.646 4.800 . 0 0 "[ . 1 . 2]" 1
819 1 53 ILE MD 1 54 VAL HB . . 5.480 5.525 5.475 5.571 0.091 6 0 "[ . 1 . 2]" 1
820 1 53 ILE MD 1 55 ASP H . . 5.500 5.367 5.171 5.472 . 0 0 "[ . 1 . 2]" 1
821 1 53 ILE MD 1 80 THR HB . . 4.220 2.701 2.213 3.136 . 0 0 "[ . 1 . 2]" 1
822 1 53 ILE MD 1 80 THR MG . . 3.770 2.429 2.122 2.823 . 0 0 "[ . 1 . 2]" 1
823 1 53 ILE MD 1 82 THR H . . 3.390 3.403 3.370 3.436 0.046 15 0 "[ . 1 . 2]" 1
824 1 53 ILE MD 1 83 SER H . . 5.280 4.473 4.382 4.654 . 0 0 "[ . 1 . 2]" 1
825 1 53 ILE MD 1 83 SER HA . . 4.140 4.145 3.916 4.215 0.075 6 0 "[ . 1 . 2]" 1
826 1 53 ILE MG 1 101 ALA H . . 4.540 2.494 2.396 2.672 . 0 0 "[ . 1 . 2]" 1
827 1 53 ILE MG 1 101 ALA HA . . 5.500 4.082 4.007 4.186 . 0 0 "[ . 1 . 2]" 1
828 1 53 ILE MG 1 101 ALA MB . . 4.410 1.955 1.909 2.021 . 0 0 "[ . 1 . 2]" 1
829 1 53 ILE MG 1 102 LEU H . . 5.500 4.524 4.053 5.054 . 0 0 "[ . 1 . 2]" 1
830 1 53 ILE MD 1 53 ILE MG . . 3.210 1.924 1.903 1.942 . 0 0 "[ . 1 . 2]" 1
831 1 53 ILE MG 1 80 THR HB . . 5.010 4.480 4.227 4.850 . 0 0 "[ . 1 . 2]" 1
832 1 53 ILE MG 1 83 SER HA . . 4.510 4.195 4.096 4.317 . 0 0 "[ . 1 . 2]" 1
833 1 54 VAL H 1 54 VAL HB . . 3.380 2.440 2.340 2.506 . 0 0 "[ . 1 . 2]" 1
834 1 54 VAL H 1 54 VAL MG1 . . 3.520 2.287 2.191 2.375 . 0 0 "[ . 1 . 2]" 1
835 1 54 VAL H 1 54 VAL MG2 . . 4.370 3.832 3.779 3.862 . 0 0 "[ . 1 . 2]" 1
836 1 54 VAL H 1 55 ASP H . . 5.350 4.543 4.498 4.584 . 0 0 "[ . 1 . 2]" 1
837 1 54 VAL H 1 59 TYR QE . . 5.500 4.860 4.412 5.288 . 0 0 "[ . 1 . 2]" 1
838 1 54 VAL H 1 82 THR HA . . 5.160 4.486 4.400 4.566 . 0 0 "[ . 1 . 2]" 1
839 1 54 VAL H 1 82 THR HB . . 3.900 3.028 2.917 3.196 . 0 0 "[ . 1 . 2]" 1
840 1 54 VAL H 1 82 THR MG . . 5.340 4.464 4.382 4.600 . 0 0 "[ . 1 . 2]" 1
841 1 54 VAL H 1 83 SER H . . 5.220 4.868 4.809 4.947 . 0 0 "[ . 1 . 2]" 1
842 1 54 VAL H 1 83 SER HA . . 3.890 3.426 3.312 3.584 . 0 0 "[ . 1 . 2]" 1
843 1 54 VAL H 1 84 ARG H . . 4.950 4.379 3.613 4.773 . 0 0 "[ . 1 . 2]" 1
844 1 54 VAL HA 1 100 VAL H . . 5.500 4.836 4.753 4.898 . 0 0 "[ . 1 . 2]" 1
845 1 54 VAL HA 1 100 VAL HA . . 3.430 2.302 2.204 2.389 . 0 0 "[ . 1 . 2]" 1
846 1 54 VAL HA 1 100 VAL HB . . 4.030 3.873 3.687 4.048 0.018 15 0 "[ . 1 . 2]" 1
847 1 54 VAL HA 1 100 VAL MG1 . . 3.630 2.143 2.082 2.264 . 0 0 "[ . 1 . 2]" 1
848 1 54 VAL HA 1 100 VAL MG2 . . 5.490 4.589 4.547 4.655 . 0 0 "[ . 1 . 2]" 1
849 1 54 VAL HA 1 101 ALA H . . 4.360 3.773 3.569 3.879 . 0 0 "[ . 1 . 2]" 1
850 1 54 VAL HA 1 54 VAL MG1 . . 3.700 3.192 3.163 3.219 . 0 0 "[ . 1 . 2]" 1
851 1 54 VAL HA 1 54 VAL MG2 . . 3.700 2.348 2.288 2.396 . 0 0 "[ . 1 . 2]" 1
852 1 54 VAL HA 1 55 ASP H . . 3.160 2.167 2.094 2.236 . 0 0 "[ . 1 . 2]" 1
853 1 54 VAL HA 1 55 ASP HB2 . . 5.320 4.349 4.102 5.398 0.078 4 0 "[ . 1 . 2]" 1
854 1 54 VAL HA 1 55 ASP HB3 . . 4.130 4.407 4.027 4.464 0.334 13 0 "[ . 1 . 2]" 1
855 1 54 VAL HB 1 100 VAL MG1 . . 5.500 2.868 2.767 2.950 . 0 0 "[ . 1 . 2]" 1
856 1 54 VAL HB 1 55 ASP H . . 5.300 4.075 3.928 4.153 . 0 0 "[ . 1 . 2]" 1
857 1 54 VAL HB 1 59 TYR H . . 5.120 4.882 4.728 5.107 . 0 0 "[ . 1 . 2]" 1
858 1 54 VAL HB 1 59 TYR HA . . 4.440 4.499 4.331 4.623 0.183 20 0 "[ . 1 . 2]" 1
859 1 54 VAL HB 1 59 TYR QD . . 3.210 3.216 3.035 3.274 0.064 1 0 "[ . 1 . 2]" 1
860 1 54 VAL HB 1 59 TYR QE . . 4.330 4.355 3.982 4.467 0.137 7 0 "[ . 1 . 2]" 1
861 1 54 VAL HB 1 82 THR HA . . 5.390 5.434 5.391 5.477 0.087 2 0 "[ . 1 . 2]" 1
862 1 54 VAL HB 1 82 THR HB . . 3.780 3.892 3.876 3.912 0.132 11 0 "[ . 1 . 2]" 1
863 1 54 VAL HB 1 82 THR MG . . 5.150 5.170 5.144 5.192 0.042 14 0 "[ . 1 . 2]" 1
864 1 54 VAL HB 1 83 SER HA . . 5.100 5.160 5.093 5.250 0.150 16 0 "[ . 1 . 2]" 1
865 1 54 VAL MG1 1 100 VAL MG1 . . 3.880 3.929 3.892 3.962 0.082 9 0 "[ . 1 . 2]" 1
866 1 54 VAL MG1 1 55 ASP H . . 4.760 3.377 3.096 3.453 . 0 0 "[ . 1 . 2]" 1
867 1 54 VAL MG1 1 59 TYR HA . . 4.680 2.417 2.245 2.692 . 0 0 "[ . 1 . 2]" 1
868 1 54 VAL MG1 1 59 TYR HB2 . . 5.500 1.989 1.883 2.052 . 0 0 "[ . 1 . 2]" 1
869 1 54 VAL MG1 1 59 TYR HB3 . . 5.500 3.183 3.095 3.229 . 0 0 "[ . 1 . 2]" 1
870 1 54 VAL MG1 1 59 TYR QD . . 3.850 1.902 1.782 2.211 . 0 0 "[ . 1 . 2]" 1
871 1 54 VAL MG1 1 59 TYR QE . . 4.540 3.273 3.085 3.489 . 0 0 "[ . 1 . 2]" 1
872 1 54 VAL MG1 1 84 ARG HD3 . . 4.530 4.174 2.803 4.615 0.085 2 0 "[ . 1 . 2]" 1
873 1 54 VAL MG1 1 84 ARG HG2 . . 4.370 3.437 2.672 4.371 0.001 6 0 "[ . 1 . 2]" 1
874 1 54 VAL MG2 1 100 VAL MG1 . . 4.030 2.478 2.314 2.594 . 0 0 "[ . 1 . 2]" 1
875 1 54 VAL MG2 1 100 VAL MG2 . . 5.500 4.592 4.516 4.679 . 0 0 "[ . 1 . 2]" 1
876 1 54 VAL MG2 1 55 ASP H . . 3.900 2.291 2.063 2.415 . 0 0 "[ . 1 . 2]" 1
877 1 54 VAL MG2 1 58 TYR H . . 4.740 3.179 3.031 3.712 . 0 0 "[ . 1 . 2]" 1
878 1 54 VAL MG2 1 58 TYR HB3 . . 4.140 3.134 2.897 3.935 . 0 0 "[ . 1 . 2]" 1
879 1 54 VAL MG2 1 58 TYR QD . . 4.370 3.745 3.602 3.808 . 0 0 "[ . 1 . 2]" 1
880 1 54 VAL MG2 1 58 TYR QE . . 5.500 5.516 5.477 5.547 0.047 4 0 "[ . 1 . 2]" 1
881 1 54 VAL MG2 1 59 TYR H . . 4.160 2.587 2.435 2.844 . 0 0 "[ . 1 . 2]" 1
882 1 54 VAL MG2 1 59 TYR HA . . 3.590 3.095 2.959 3.325 . 0 0 "[ . 1 . 2]" 1
883 1 54 VAL MG2 1 59 TYR HB2 . . 4.730 3.433 3.319 3.500 . 0 0 "[ . 1 . 2]" 1
884 1 54 VAL MG2 1 59 TYR HB3 . . 4.430 4.555 4.535 4.582 0.152 16 0 "[ . 1 . 2]" 1
885 1 54 VAL MG2 1 59 TYR QD . . 3.930 3.204 2.610 3.537 . 0 0 "[ . 1 . 2]" 1
886 1 54 VAL MG2 1 59 TYR QE . . 5.160 4.898 4.249 5.172 0.012 7 0 "[ . 1 . 2]" 1
887 1 54 VAL MG2 1 60 ASP H . . 5.500 4.727 4.548 5.027 . 0 0 "[ . 1 . 2]" 1
888 1 54 VAL MG2 1 82 THR HB . . 4.590 4.230 4.139 4.297 . 0 0 "[ . 1 . 2]" 1
889 1 55 ASP H 1 100 VAL HA . . 3.870 3.315 3.117 3.523 . 0 0 "[ . 1 . 2]" 1
890 1 55 ASP H 1 100 VAL MG1 . . 4.410 3.688 3.576 3.853 . 0 0 "[ . 1 . 2]" 1
891 1 55 ASP H 1 100 VAL MG2 . . 5.750 5.548 5.392 5.694 . 0 0 "[ . 1 . 2]" 1
892 1 55 ASP H 1 55 ASP HB2 . . 3.240 2.262 2.057 3.269 0.029 4 0 "[ . 1 . 2]" 1
893 1 55 ASP H 1 55 ASP HB3 . . 3.310 2.340 1.959 2.467 . 0 0 "[ . 1 . 2]" 1
894 1 55 ASP H 1 57 ASP H . . 5.040 5.055 5.005 5.077 0.037 8 0 "[ . 1 . 2]" 1
895 1 55 ASP H 1 58 TYR QD . . 4.710 4.161 3.934 4.363 . 0 0 "[ . 1 . 2]" 1
896 1 55 ASP H 1 59 TYR H . . 5.500 4.655 4.455 5.040 . 0 0 "[ . 1 . 2]" 1
897 1 55 ASP H 1 99 ARG HA . . 5.500 5.149 4.987 5.357 . 0 0 "[ . 1 . 2]" 1
898 1 55 ASP H 1 99 ARG HB2 . . 5.080 4.308 4.180 4.726 . 0 0 "[ . 1 . 2]" 1
899 1 55 ASP HA 1 99 ARG QD . . 4.180 4.175 3.985 4.254 0.074 8 0 "[ . 1 . 2]" 1
900 1 55 ASP HB2 1 57 ASP H . . 4.380 4.180 3.286 4.287 . 0 0 "[ . 1 . 2]" 1
901 1 55 ASP HB2 1 57 ASP HB2 . . 4.420 4.345 4.050 4.465 0.045 9 0 "[ . 1 . 2]" 1
902 1 55 ASP HB2 1 57 ASP HB3 . . 5.500 5.528 5.052 5.590 0.090 6 0 "[ . 1 . 2]" 1
903 1 55 ASP HB2 1 58 TYR H . . 3.860 3.978 3.933 4.082 0.222 4 0 "[ . 1 . 2]" 1
904 1 55 ASP HB2 1 58 TYR QD . . 3.590 3.023 2.739 3.581 . 0 0 "[ . 1 . 2]" 1
905 1 55 ASP HB2 1 58 TYR QE . . 4.450 4.363 4.199 4.491 0.041 12 0 "[ . 1 . 2]" 1
906 1 55 ASP HB2 1 59 TYR H . . 5.500 5.426 5.231 5.555 0.055 16 0 "[ . 1 . 2]" 1
907 1 55 ASP HB3 1 100 VAL HA . . 5.500 5.439 4.442 5.577 0.077 15 0 "[ . 1 . 2]" 1
908 1 55 ASP HB3 1 57 ASP H . . 5.460 3.294 3.019 4.330 . 0 0 "[ . 1 . 2]" 1
909 1 55 ASP HB3 1 58 TYR QD . . 3.770 2.115 2.005 3.163 . 0 0 "[ . 1 . 2]" 1
910 1 55 ASP HB3 1 58 TYR QE . . 5.070 4.168 3.984 4.489 . 0 0 "[ . 1 . 2]" 1
911 1 55 ASP HB3 1 99 ARG HB2 . . 4.100 4.103 3.262 4.176 0.076 7 0 "[ . 1 . 2]" 1
912 1 55 ASP HB3 1 99 ARG HB3 . . 4.590 3.600 2.426 3.827 . 0 0 "[ . 1 . 2]" 1
913 1 57 ASP H 1 57 ASP HA . . 2.920 2.925 2.897 2.934 0.014 1 0 "[ . 1 . 2]" 1
914 1 57 ASP H 1 57 ASP HB2 . . 3.560 2.171 2.128 2.262 . 0 0 "[ . 1 . 2]" 1
915 1 57 ASP H 1 57 ASP HB3 . . 3.710 3.418 3.053 3.525 . 0 0 "[ . 1 . 2]" 1
916 1 57 ASP H 1 58 TYR H . . 3.610 2.666 2.545 2.750 . 0 0 "[ . 1 . 2]" 1
917 1 57 ASP H 1 58 TYR QD . . 4.650 3.809 3.456 4.173 . 0 0 "[ . 1 . 2]" 1
918 1 57 ASP H 1 58 TYR QE . . 5.500 5.181 4.856 5.497 . 0 0 "[ . 1 . 2]" 1
919 1 57 ASP H 1 59 TYR H . . 4.680 4.087 3.960 4.261 . 0 0 "[ . 1 . 2]" 1
920 1 57 ASP H 1 60 ASP H . . 5.080 5.105 4.864 5.166 0.086 3 0 "[ . 1 . 2]" 1
921 1 57 ASP HB2 1 58 TYR H . . 4.030 2.983 2.721 3.462 . 0 0 "[ . 1 . 2]" 1
922 1 57 ASP HB2 1 58 TYR QD . . 4.380 2.937 2.441 4.423 0.043 4 0 "[ . 1 . 2]" 1
923 1 57 ASP HB2 1 58 TYR QE . . 4.780 3.478 2.971 4.784 0.004 4 0 "[ . 1 . 2]" 1
924 1 57 ASP HB3 1 58 TYR H . . 5.050 3.200 2.802 3.606 . 0 0 "[ . 1 . 2]" 1
925 1 57 ASP HB3 1 58 TYR HB2 . . 5.420 4.682 4.415 4.880 . 0 0 "[ . 1 . 2]" 1
926 1 57 ASP HB3 1 58 TYR QD . . 4.730 3.156 2.968 3.650 . 0 0 "[ . 1 . 2]" 1
927 1 57 ASP HB3 1 58 TYR QE . . 5.120 3.405 3.086 4.103 . 0 0 "[ . 1 . 2]" 1
928 1 58 TYR H 1 58 TYR HB2 . . 3.770 2.263 2.206 2.441 . 0 0 "[ . 1 . 2]" 1
929 1 58 TYR H 1 58 TYR HB3 . . 3.160 3.482 3.466 3.529 0.369 4 0 "[ . 1 . 2]" 1
930 1 58 TYR H 1 58 TYR QD . . 3.730 2.385 2.173 2.824 . 0 0 "[ . 1 . 2]" 1
931 1 58 TYR H 1 58 TYR QE . . 4.930 4.463 4.324 4.580 . 0 0 "[ . 1 . 2]" 1
932 1 58 TYR H 1 59 TYR H . . 3.210 2.443 2.304 2.519 . 0 0 "[ . 1 . 2]" 1
933 1 58 TYR H 1 59 TYR HA . . 5.150 5.166 5.097 5.204 0.054 4 0 "[ . 1 . 2]" 1
934 1 58 TYR H 1 59 TYR HB2 . . 4.920 4.434 4.271 4.597 . 0 0 "[ . 1 . 2]" 1
935 1 58 TYR H 1 60 ASP H . . 5.390 3.944 3.744 4.133 . 0 0 "[ . 1 . 2]" 1
936 1 58 TYR HA 1 58 TYR QD . . 3.620 2.781 2.270 2.983 . 0 0 "[ . 1 . 2]" 1
937 1 58 TYR HA 1 58 TYR QE . . 4.830 4.561 4.385 4.730 . 0 0 "[ . 1 . 2]" 1
938 1 58 TYR HA 1 61 ALA MB . . 3.920 3.822 3.112 3.973 0.053 10 0 "[ . 1 . 2]" 1
939 1 58 TYR HB2 1 59 TYR H . . 5.050 3.154 2.914 3.438 . 0 0 "[ . 1 . 2]" 1
940 1 58 TYR HB2 1 98 ILE HG12 . . 4.540 2.476 2.281 3.134 . 0 0 "[ . 1 . 2]" 1
941 1 58 TYR HB2 1 98 ILE HG13 . . 5.500 3.517 3.222 4.580 . 0 0 "[ . 1 . 2]" 1
942 1 58 TYR HB3 1 59 TYR H . . 4.480 3.936 3.609 4.200 . 0 0 "[ . 1 . 2]" 1
943 1 58 TYR HB3 1 98 ILE H . . 5.500 5.421 4.566 5.563 0.063 17 0 "[ . 1 . 2]" 1
944 1 58 TYR QD 1 59 TYR H . . 4.370 4.427 4.322 4.513 0.143 16 0 "[ . 1 . 2]" 1
945 1 58 TYR QD 1 95 ILE H . . 4.920 4.900 4.745 4.964 0.044 13 0 "[ . 1 . 2]" 1
946 1 58 TYR QD 1 95 ILE HA . . 3.720 2.231 2.097 2.487 . 0 0 "[ . 1 . 2]" 1
947 1 58 TYR QD 1 95 ILE HB . . 4.650 3.825 2.564 4.169 . 0 0 "[ . 1 . 2]" 1
948 1 58 TYR QD 1 98 ILE H . . 4.950 4.258 4.056 4.495 . 0 0 "[ . 1 . 2]" 1
949 1 58 TYR QD 1 98 ILE HA . . 5.460 2.975 2.535 3.172 . 0 0 "[ . 1 . 2]" 1
950 1 58 TYR QE 1 95 ILE HA . . 3.630 2.937 2.102 3.303 . 0 0 "[ . 1 . 2]" 1
951 1 58 TYR QE 1 95 ILE HB . . 5.500 4.667 3.607 5.056 . 0 0 "[ . 1 . 2]" 1
952 1 58 TYR QE 1 95 ILE MG . . 5.270 4.800 3.804 5.184 . 0 0 "[ . 1 . 2]" 1
953 1 58 TYR QE 1 97 GLY HA2 . . 5.390 4.974 4.803 5.109 . 0 0 "[ . 1 . 2]" 1
954 1 58 TYR QE 1 98 ILE H . . 4.550 3.603 3.222 4.379 . 0 0 "[ . 1 . 2]" 1
955 1 58 TYR QE 1 98 ILE HA . . 5.500 3.144 2.707 3.500 . 0 0 "[ . 1 . 2]" 1
956 1 58 TYR QE 1 99 ARG HB2 . . 5.080 4.389 3.988 4.707 . 0 0 "[ . 1 . 2]" 1
957 1 58 TYR QE 1 99 ARG HB3 . . 5.420 5.396 5.143 5.461 0.041 2 0 "[ . 1 . 2]" 1
958 1 59 TYR H 1 59 TYR HB2 . . 3.320 2.216 2.154 2.281 . 0 0 "[ . 1 . 2]" 1
959 1 59 TYR H 1 59 TYR HB3 . . 3.250 3.024 2.799 3.310 0.060 20 0 "[ . 1 . 2]" 1
960 1 59 TYR H 1 59 TYR QD . . 4.130 4.055 3.896 4.126 . 0 0 "[ . 1 . 2]" 1
961 1 59 TYR H 1 60 ASP H . . 3.790 2.625 2.430 2.747 . 0 0 "[ . 1 . 2]" 1
962 1 59 TYR H 1 60 ASP HB2 . . 4.850 4.393 4.153 4.790 . 0 0 "[ . 1 . 2]" 1
963 1 59 TYR H 1 62 LEU MD1 . . 5.500 4.176 3.909 4.467 . 0 0 "[ . 1 . 2]" 1
964 1 59 TYR H 1 82 THR MG . . 4.930 4.289 3.915 4.477 . 0 0 "[ . 1 . 2]" 1
965 1 59 TYR HA 1 59 TYR QD . . 3.310 2.244 1.978 2.492 . 0 0 "[ . 1 . 2]" 1
966 1 59 TYR HA 1 59 TYR QE . . 4.620 4.318 4.127 4.502 . 0 0 "[ . 1 . 2]" 1
967 1 59 TYR HA 1 61 ALA H . . 4.530 3.888 3.726 4.020 . 0 0 "[ . 1 . 2]" 1
968 1 59 TYR HA 1 62 LEU H . . 4.250 3.736 3.522 3.985 . 0 0 "[ . 1 . 2]" 1
969 1 59 TYR HA 1 62 LEU HB2 . . 3.600 2.661 2.355 3.055 . 0 0 "[ . 1 . 2]" 1
970 1 59 TYR HA 1 62 LEU HB3 . . 3.860 3.951 3.879 4.053 0.193 4 0 "[ . 1 . 2]" 1
971 1 59 TYR HA 1 62 LEU MD1 . . 3.570 2.165 2.000 2.648 . 0 0 "[ . 1 . 2]" 1
972 1 59 TYR HB2 1 60 ASP H . . 3.610 3.385 3.186 3.563 . 0 0 "[ . 1 . 2]" 1
973 1 59 TYR HB2 1 60 ASP HA . . 4.140 4.468 4.398 4.538 0.398 15 0 "[ . 1 . 2]" 1
974 1 59 TYR HB2 1 61 ALA H . . 5.060 5.318 5.248 5.374 0.314 19 0 "[ . 1 . 2]" 1
975 1 59 TYR HB2 1 62 LEU MD1 . . 5.500 4.411 3.943 5.140 . 0 0 "[ . 1 . 2]" 1
976 1 59 TYR HB2 1 82 THR HA . . 5.380 4.338 4.137 4.544 . 0 0 "[ . 1 . 2]" 1
977 1 59 TYR HB2 1 82 THR HB . . 4.550 2.958 2.844 3.092 . 0 0 "[ . 1 . 2]" 1
978 1 59 TYR HB2 1 82 THR MG . . 4.210 2.716 2.314 2.873 . 0 0 "[ . 1 . 2]" 1
979 1 59 TYR HB3 1 60 ASP H . . 3.970 2.783 2.526 3.057 . 0 0 "[ . 1 . 2]" 1
980 1 59 TYR HB3 1 62 LEU H . . 5.500 4.808 4.629 5.013 . 0 0 "[ . 1 . 2]" 1
981 1 59 TYR HB3 1 82 THR HA . . 4.750 4.713 4.553 4.807 0.057 14 0 "[ . 1 . 2]" 1
982 1 59 TYR HB3 1 82 THR HB . . 4.050 4.033 3.928 4.114 0.064 15 0 "[ . 1 . 2]" 1
983 1 59 TYR HB3 1 82 THR MG . . 4.210 3.030 2.765 3.246 . 0 0 "[ . 1 . 2]" 1
984 1 59 TYR QD 1 62 LEU MD1 . . 4.130 2.521 2.078 3.121 . 0 0 "[ . 1 . 2]" 1
985 1 59 TYR QD 1 82 THR HA . . 3.240 3.136 2.458 3.331 0.091 7 0 "[ . 1 . 2]" 1
986 1 59 TYR QD 1 82 THR HB . . 3.150 3.233 3.175 3.270 0.120 16 0 "[ . 1 . 2]" 1
987 1 59 TYR QD 1 82 THR MG . . 3.870 2.366 2.096 2.693 . 0 0 "[ . 1 . 2]" 1
988 1 59 TYR QD 1 84 ARG HG3 . . 4.910 4.131 2.830 4.958 0.048 6 0 "[ . 1 . 2]" 1
989 1 59 TYR QE 1 62 LEU HB2 . . 5.500 4.428 3.861 4.761 . 0 0 "[ . 1 . 2]" 1
990 1 59 TYR QE 1 62 LEU HB3 . . 5.500 4.731 4.126 5.240 . 0 0 "[ . 1 . 2]" 1
991 1 59 TYR QE 1 62 LEU MD1 . . 4.150 3.785 3.272 4.170 0.020 14 0 "[ . 1 . 2]" 1
992 1 59 TYR QE 1 82 THR H . . 5.500 5.121 4.932 5.502 0.002 20 0 "[ . 1 . 2]" 1
993 1 59 TYR QE 1 82 THR HA . . 3.340 2.831 2.611 2.984 . 0 0 "[ . 1 . 2]" 1
994 1 59 TYR QE 1 82 THR HB . . 4.380 4.038 3.801 4.405 0.025 20 0 "[ . 1 . 2]" 1
995 1 59 TYR QE 1 82 THR MG . . 4.620 3.546 3.351 4.078 . 0 0 "[ . 1 . 2]" 1
996 1 59 TYR QE 1 83 SER HA . . 5.500 4.950 4.254 5.483 . 0 0 "[ . 1 . 2]" 1
997 1 59 TYR QE 1 84 ARG H . . 5.500 4.907 4.249 5.522 0.022 14 0 "[ . 1 . 2]" 1
998 1 59 TYR QE 1 84 ARG HA . . 4.570 3.627 2.315 4.340 . 0 0 "[ . 1 . 2]" 1
999 1 59 TYR QE 1 84 ARG HB3 . . 5.150 3.939 1.934 4.847 . 0 0 "[ . 1 . 2]" 1
1000 1 59 TYR QE 1 84 ARG HD2 . . 4.600 3.335 1.895 4.623 0.023 16 0 "[ . 1 . 2]" 1
1001 1 59 TYR QE 1 84 ARG HD3 . . 3.710 2.754 1.894 3.764 0.054 5 0 "[ . 1 . 2]" 1
1002 1 59 TYR QE 1 84 ARG HG2 . . 3.540 2.617 2.058 3.588 0.048 9 0 "[ . 1 . 2]" 1
1003 1 59 TYR QE 1 84 ARG HG3 . . 3.970 3.710 2.593 4.123 0.153 9 0 "[ . 1 . 2]" 1
1004 1 60 ASP H 1 60 ASP HB2 . . 3.470 2.184 1.939 2.639 . 0 0 "[ . 1 . 2]" 1
1005 1 60 ASP H 1 60 ASP HB3 . . 3.900 2.635 2.041 2.901 . 0 0 "[ . 1 . 2]" 1
1006 1 60 ASP H 1 61 ALA H . . 3.370 2.703 2.653 2.780 . 0 0 "[ . 1 . 2]" 1
1007 1 60 ASP H 1 61 ALA MB . . 4.330 4.224 4.071 4.331 0.001 9 0 "[ . 1 . 2]" 1
1008 1 60 ASP H 1 62 LEU H . . 4.740 4.237 4.023 4.414 . 0 0 "[ . 1 . 2]" 1
1009 1 60 ASP HA 1 62 LEU H . . 4.240 3.741 3.622 3.964 . 0 0 "[ . 1 . 2]" 1
1010 1 60 ASP HB2 1 61 ALA H . . 4.490 3.973 3.742 4.128 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ASP HB2 1 61 ALA MB . . 5.030 4.994 4.670 5.082 0.052 20 0 "[ . 1 . 2]" 1
1012 1 60 ASP HB2 1 62 LEU H . . 5.370 5.479 5.441 5.509 0.139 3 0 "[ . 1 . 2]" 1
1013 1 60 ASP HB3 1 61 ALA H . . 4.330 3.273 3.039 3.608 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ASP HB3 1 62 LEU H . . 5.500 5.132 4.998 5.328 . 0 0 "[ . 1 . 2]" 1
1015 1 61 ALA H 1 61 ALA MB . . 3.220 2.333 2.180 2.527 . 0 0 "[ . 1 . 2]" 1
1016 1 61 ALA H 1 62 LEU H . . 3.290 2.239 1.905 2.545 . 0 0 "[ . 1 . 2]" 1
1017 1 61 ALA H 1 62 LEU HA . . 5.170 4.641 4.314 4.952 . 0 0 "[ . 1 . 2]" 1
1018 1 61 ALA H 1 62 LEU HB2 . . 4.860 4.031 3.763 4.244 . 0 0 "[ . 1 . 2]" 1
1019 1 61 ALA H 1 62 LEU HB3 . . 5.380 5.359 5.208 5.429 0.049 13 0 "[ . 1 . 2]" 1
1020 1 61 ALA H 1 62 LEU MD1 . . 4.700 4.505 4.105 4.738 0.038 4 0 "[ . 1 . 2]" 1
1021 1 61 ALA H 1 62 LEU MD2 . . 5.450 4.234 3.502 5.158 . 0 0 "[ . 1 . 2]" 1
1022 1 61 ALA MB 1 62 LEU H . . 4.060 3.389 3.214 3.575 . 0 0 "[ . 1 . 2]" 1
1023 1 61 ALA MB 1 62 LEU HA . . 4.960 4.100 3.824 4.437 . 0 0 "[ . 1 . 2]" 1
1024 1 62 LEU H 1 62 LEU HB2 . . 3.110 2.459 2.336 2.550 . 0 0 "[ . 1 . 2]" 1
1025 1 62 LEU H 1 62 LEU HB3 . . 3.680 3.652 3.549 3.692 0.012 5 0 "[ . 1 . 2]" 1
1026 1 62 LEU H 1 62 LEU HG . . 3.910 2.866 2.568 3.379 . 0 0 "[ . 1 . 2]" 1
1027 1 62 LEU H 1 62 LEU MD1 . . 4.840 4.013 3.848 4.136 . 0 0 "[ . 1 . 2]" 1
1028 1 62 LEU H 1 62 LEU MD2 . . 4.190 3.618 3.121 4.211 0.021 20 0 "[ . 1 . 2]" 1
1029 1 62 LEU H 1 63 PRO HD2 . . 5.290 4.960 4.831 5.037 . 0 0 "[ . 1 . 2]" 1
1030 1 62 LEU HA 1 62 LEU HG . . 3.370 3.130 2.894 3.385 0.015 12 0 "[ . 1 . 2]" 1
1031 1 62 LEU HA 1 62 LEU MD2 . . 3.350 2.086 2.006 2.224 . 0 0 "[ . 1 . 2]" 1
1032 1 62 LEU HA 1 63 PRO HD2 . . 3.470 2.289 2.157 2.466 . 0 0 "[ . 1 . 2]" 1
1033 1 62 LEU HA 1 63 PRO HD3 . . 3.010 2.320 2.171 2.439 . 0 0 "[ . 1 . 2]" 1
1034 1 62 LEU HA 1 63 PRO HG3 . . 4.460 4.467 4.394 4.503 0.043 12 0 "[ . 1 . 2]" 1
1035 1 62 LEU HA 1 89 ILE MD . . 4.010 3.953 3.437 4.120 0.110 16 0 "[ . 1 . 2]" 1
1036 1 62 LEU HB2 1 62 LEU MD1 . . 3.270 2.379 2.277 2.476 . 0 0 "[ . 1 . 2]" 1
1037 1 62 LEU HB2 1 63 PRO HD2 . . 4.500 4.018 3.730 4.160 . 0 0 "[ . 1 . 2]" 1
1038 1 62 LEU HB3 1 63 PRO HD2 . . 3.770 2.561 2.203 2.755 . 0 0 "[ . 1 . 2]" 1
1039 1 62 LEU HB3 1 63 PRO HD3 . . 4.090 3.879 3.578 4.096 0.006 16 0 "[ . 1 . 2]" 1
1040 1 62 LEU HB3 1 63 PRO HG2 . . 4.220 4.209 4.032 4.275 0.055 5 0 "[ . 1 . 2]" 1
1041 1 62 LEU HB3 1 64 GLU QG . . 5.800 5.588 4.784 5.835 0.035 7 0 "[ . 1 . 2]" 1
1042 1 62 LEU HB3 1 84 ARG HD3 . . 5.500 4.403 3.126 5.377 . 0 0 "[ . 1 . 2]" 1
1043 1 62 LEU HG 1 63 PRO HD2 . . 4.950 4.604 4.296 4.851 . 0 0 "[ . 1 . 2]" 1
1044 1 62 LEU MD1 1 84 ARG HD2 . . 5.070 3.688 2.123 5.078 0.008 1 0 "[ . 1 . 2]" 1
1045 1 62 LEU MD1 1 84 ARG HD3 . . 3.910 3.079 2.076 3.950 0.040 12 0 "[ . 1 . 2]" 1
1046 1 62 LEU MD2 1 63 PRO HD2 . . 4.170 2.530 2.157 2.952 . 0 0 "[ . 1 . 2]" 1
1047 1 62 LEU MD2 1 89 ILE HA . . 5.150 4.939 4.444 5.229 0.079 20 0 "[ . 1 . 2]" 1
1048 1 62 LEU MD2 1 89 ILE MD . . 3.550 2.060 1.842 2.492 . 0 0 "[ . 1 . 2]" 1
1049 1 62 LEU MD2 1 89 ILE MG . . 4.520 4.070 3.471 4.536 0.016 10 0 "[ . 1 . 2]" 1
1050 1 62 LEU MD2 1 90 LYS H . . 4.980 4.686 4.122 4.985 0.005 1 0 "[ . 1 . 2]" 1
1051 1 63 PRO HA 1 64 GLU H . . 2.730 2.386 2.223 2.541 . 0 0 "[ . 1 . 2]" 1
1052 1 63 PRO HA 1 64 GLU QB . . 4.420 4.399 4.243 4.449 0.029 13 0 "[ . 1 . 2]" 1
1053 1 63 PRO HB2 1 64 GLU H . . 3.460 2.657 2.447 3.211 . 0 0 "[ . 1 . 2]" 1
1054 1 63 PRO HB3 1 64 GLU H . . 4.170 3.638 3.531 3.871 . 0 0 "[ . 1 . 2]" 1
1055 1 63 PRO HD2 1 89 ILE MD . . 5.500 2.915 2.249 3.926 . 0 0 "[ . 1 . 2]" 1
1056 1 63 PRO HG3 1 64 GLU H . . 5.500 5.115 4.926 5.517 0.017 12 0 "[ . 1 . 2]" 1
1057 1 63 PRO HG3 1 89 ILE MD . . 5.500 4.024 2.718 5.484 . 0 0 "[ . 1 . 2]" 1
1058 1 64 GLU H 1 64 GLU QB . . 3.130 2.407 2.274 2.708 . 0 0 "[ . 1 . 2]" 1
1059 1 64 GLU H 1 64 GLU QG . . 3.850 3.026 2.556 3.694 . 0 0 "[ . 1 . 2]" 1
1060 1 64 GLU HA 1 64 GLU QG . . 3.240 2.336 2.149 2.541 . 0 0 "[ . 1 . 2]" 1
1061 1 64 GLU HA 1 65 PRO HD2 . . 3.930 3.029 2.313 3.626 . 0 0 "[ . 1 . 2]" 1
1062 1 64 GLU QB 1 70 ASN HD21 . . 4.300 4.158 3.211 4.352 0.052 16 0 "[ . 1 . 2]" 1
1063 1 64 GLU QB 1 70 ASN QB . . 5.500 4.496 3.672 5.416 . 0 0 "[ . 1 . 2]" 1
1064 1 64 GLU QG 1 65 PRO HD2 . . 5.500 3.759 2.242 4.850 . 0 0 "[ . 1 . 2]" 1
1065 1 64 GLU QG 1 65 PRO HD3 . . 5.000 3.543 2.904 4.131 . 0 0 "[ . 1 . 2]" 1
1066 1 65 PRO HA 1 66 GLU H . . 2.990 2.441 2.248 2.565 . 0 0 "[ . 1 . 2]" 1
1067 1 65 PRO HA 1 85 LEU MD2 . . 5.070 4.114 2.954 4.820 . 0 0 "[ . 1 . 2]" 1
1068 1 65 PRO QB 1 66 GLU H . . 4.060 2.502 2.271 2.954 . 0 0 "[ . 1 . 2]" 1
1069 1 65 PRO QB 1 69 GLU H . . 5.170 4.008 3.290 4.421 . 0 0 "[ . 1 . 2]" 1
1070 1 65 PRO QB 1 69 GLU HB3 . . 2.790 2.477 2.111 2.752 . 0 0 "[ . 1 . 2]" 1
1071 1 65 PRO QB 1 73 LEU QD . . 4.130 4.106 2.965 5.049 0.919 5 2 "[ - + 1 . 2]" 1
1072 1 65 PRO QB 1 85 LEU MD2 . . 3.810 2.428 1.961 3.710 . 0 0 "[ . 1 . 2]" 1
1073 1 65 PRO HD2 1 70 ASN QB . . 4.510 2.795 2.057 4.554 0.044 7 0 "[ . 1 . 2]" 1
1074 1 65 PRO HD2 1 73 LEU MD1 . . 4.940 4.172 3.407 4.761 . 0 0 "[ . 1 . 2]" 1
1075 1 65 PRO HD2 1 85 LEU MD2 . . 4.000 3.929 3.111 4.123 0.123 12 0 "[ . 1 . 2]" 1
1076 1 65 PRO HD3 1 70 ASN H . . 5.700 5.735 5.702 5.781 0.081 12 0 "[ . 1 . 2]" 1
1077 1 65 PRO HD3 1 73 LEU QD . . 5.500 4.222 3.621 4.771 . 0 0 "[ . 1 . 2]" 1
1078 1 65 PRO HG2 1 70 ASN HA . . 3.590 3.433 2.691 3.600 0.010 16 0 "[ . 1 . 2]" 1
1079 1 65 PRO HG2 1 85 LEU HB3 . . 5.500 4.252 2.787 5.507 0.007 12 0 "[ . 1 . 2]" 1
1080 1 66 GLU H 1 66 GLU HG2 . . 4.130 3.426 2.393 4.035 . 0 0 "[ . 1 . 2]" 1
1081 1 66 GLU H 1 66 GLU HG3 . . 3.560 2.846 2.097 3.628 0.068 3 0 "[ . 1 . 2]" 1
1082 1 66 GLU H 1 66 GLU QB . . 3.360 2.313 2.113 2.528 . 0 0 "[ . 1 . 2]" 1
1083 1 66 GLU H 1 68 ASP H . . 5.500 5.062 4.764 5.500 . 0 0 "[ . 1 . 2]" 1
1084 1 66 GLU H 1 69 GLU H . . 4.780 4.168 3.796 4.594 . 0 0 "[ . 1 . 2]" 1
1085 1 66 GLU H 1 69 GLU HB2 . . 4.430 2.842 2.336 3.402 . 0 0 "[ . 1 . 2]" 1
1086 1 66 GLU H 1 70 ASN H . . 5.230 4.497 4.021 5.005 . 0 0 "[ . 1 . 2]" 1
1087 1 66 GLU HA 1 66 GLU HG2 . . 4.000 2.634 2.140 3.826 . 0 0 "[ . 1 . 2]" 1
1088 1 66 GLU HA 1 66 GLU HG3 . . 3.350 2.982 2.191 3.602 0.252 11 0 "[ . 1 . 2]" 1
1089 1 66 GLU HA 1 67 ASP H . . 2.890 2.299 2.188 2.423 . 0 0 "[ . 1 . 2]" 1
1090 1 66 GLU HA 1 70 ASN HD21 . . 5.500 4.674 3.670 5.527 0.027 2 0 "[ . 1 . 2]" 1
1091 1 66 GLU HG2 1 67 ASP H . . 4.470 3.940 3.263 4.499 0.029 9 0 "[ . 1 . 2]" 1
1092 1 66 GLU HG2 1 68 ASP H . . 4.990 4.821 3.383 5.075 0.085 13 0 "[ . 1 . 2]" 1
1093 1 66 GLU HG2 1 69 GLU H . . 5.500 5.353 3.162 5.586 0.086 14 0 "[ . 1 . 2]" 1
1094 1 66 GLU HG3 1 67 ASP H . . 5.030 4.482 3.180 5.003 . 0 0 "[ . 1 . 2]" 1
1095 1 66 GLU HG3 1 69 GLU H . . 5.500 5.196 2.610 5.548 0.048 3 0 "[ . 1 . 2]" 1
1096 1 66 GLU QB 1 67 ASP H . . 3.610 2.588 2.368 2.809 . 0 0 "[ . 1 . 2]" 1
1097 1 66 GLU QB 1 67 ASP HA . . 4.760 4.488 4.356 4.772 0.012 12 0 "[ . 1 . 2]" 1
1098 1 66 GLU QB 1 68 ASP H . . 4.120 2.463 2.104 3.415 . 0 0 "[ . 1 . 2]" 1
1099 1 66 GLU QB 1 69 GLU H . . 4.830 2.839 2.448 4.209 . 0 0 "[ . 1 . 2]" 1
1100 1 67 ASP H 1 67 ASP HB2 . . 3.470 2.364 2.125 2.470 . 0 0 "[ . 1 . 2]" 1
1101 1 67 ASP H 1 67 ASP HB3 . . 3.230 2.539 2.350 2.776 . 0 0 "[ . 1 . 2]" 1
1102 1 67 ASP H 1 68 ASP H . . 3.520 2.832 2.755 3.053 . 0 0 "[ . 1 . 2]" 1
1103 1 67 ASP H 1 69 GLU H . . 4.890 4.165 4.056 4.319 . 0 0 "[ . 1 . 2]" 1
1104 1 67 ASP H 1 70 ASN H . . 5.340 4.920 4.742 5.038 . 0 0 "[ . 1 . 2]" 1
1105 1 67 ASP H 1 70 ASN HD21 . . 5.500 4.803 3.532 5.518 0.018 8 0 "[ . 1 . 2]" 1
1106 1 67 ASP H 1 70 ASN HD22 . . 5.500 4.392 3.821 5.197 . 0 0 "[ . 1 . 2]" 1
1107 1 67 ASP HA 1 69 GLU H . . 4.100 4.040 3.797 4.133 0.033 8 0 "[ . 1 . 2]" 1
1108 1 67 ASP HA 1 70 ASN H . . 4.140 3.659 3.111 4.146 0.006 13 0 "[ . 1 . 2]" 1
1109 1 67 ASP HA 1 70 ASN HD21 . . 4.220 3.438 1.960 4.202 . 0 0 "[ . 1 . 2]" 1
1110 1 67 ASP HA 1 70 ASN HD22 . . 3.700 2.574 2.024 3.529 . 0 0 "[ . 1 . 2]" 1
1111 1 67 ASP HB2 1 70 ASN HD22 . . 4.650 4.041 3.682 4.701 0.051 5 0 "[ . 1 . 2]" 1
1112 1 67 ASP HB3 1 68 ASP H . . 3.510 3.216 3.033 3.418 . 0 0 "[ . 1 . 2]" 1
1113 1 68 ASP H 1 68 ASP HB2 . . 3.440 2.637 2.390 2.778 . 0 0 "[ . 1 . 2]" 1
1114 1 68 ASP H 1 68 ASP HB3 . . 3.200 2.534 2.294 2.797 . 0 0 "[ . 1 . 2]" 1
1115 1 68 ASP H 1 69 GLU H . . 3.380 2.264 2.205 2.372 . 0 0 "[ . 1 . 2]" 1
1116 1 68 ASP H 1 69 GLU HA . . 4.940 4.982 4.930 5.034 0.094 20 0 "[ . 1 . 2]" 1
1117 1 68 ASP H 1 70 ASN H . . 4.680 4.141 3.813 4.353 . 0 0 "[ . 1 . 2]" 1
1118 1 68 ASP H 1 71 ASP H . . 4.910 4.757 4.435 4.931 0.021 12 0 "[ . 1 . 2]" 1
1119 1 68 ASP HA 1 68 ASP HB2 . . 2.820 2.550 2.449 2.719 . 0 0 "[ . 1 . 2]" 1
1120 1 68 ASP HA 1 72 MET QG . . 4.480 4.525 4.447 4.568 0.088 10 0 "[ . 1 . 2]" 1
1121 1 68 ASP HB2 1 69 GLU H . . 4.140 4.077 3.940 4.176 0.036 2 0 "[ . 1 . 2]" 1
1122 1 68 ASP HB3 1 69 GLU H . . 4.020 3.077 2.767 3.383 . 0 0 "[ . 1 . 2]" 1
1123 1 69 GLU H 1 69 GLU HB2 . . 3.430 2.292 2.163 2.410 . 0 0 "[ . 1 . 2]" 1
1124 1 69 GLU H 1 70 ASN H . . 3.440 2.494 2.391 2.641 . 0 0 "[ . 1 . 2]" 1
1125 1 69 GLU HA 1 72 MET QG . . 3.650 2.588 2.142 3.528 . 0 0 "[ . 1 . 2]" 1
1126 1 69 GLU HB2 1 70 ASN H . . 3.620 2.738 2.323 3.508 . 0 0 "[ . 1 . 2]" 1
1127 1 70 ASN H 1 70 ASN HD21 . . 4.960 3.508 2.195 4.160 . 0 0 "[ . 1 . 2]" 1
1128 1 70 ASN H 1 70 ASN QB . . 2.930 2.477 2.049 2.917 . 0 0 "[ . 1 . 2]" 1
1129 1 70 ASN H 1 71 ASP H . . 3.430 2.730 2.417 2.971 . 0 0 "[ . 1 . 2]" 1
1130 1 70 ASN H 1 71 ASP HB2 . . 5.120 4.861 4.337 5.141 0.021 17 0 "[ . 1 . 2]" 1
1131 1 70 ASN H 1 73 LEU HG . . 5.500 4.701 4.389 5.037 . 0 0 "[ . 1 . 2]" 1
1132 1 70 ASN HA 1 73 LEU HB2 . . 4.280 3.492 2.953 3.759 . 0 0 "[ . 1 . 2]" 1
1133 1 70 ASN HA 1 73 LEU HG . . 3.750 2.272 2.006 2.688 . 0 0 "[ . 1 . 2]" 1
1134 1 70 ASN HA 1 74 ASP H . . 4.480 4.509 4.272 4.608 0.128 20 0 "[ . 1 . 2]" 1
1135 1 70 ASN QB 1 70 ASN HD22 . . 3.360 3.249 3.194 3.294 . 0 0 "[ . 1 . 2]" 1
1136 1 70 ASN QB 1 71 ASP H . . 3.740 3.680 2.957 3.795 0.055 4 0 "[ . 1 . 2]" 1
1137 1 70 ASN QB 1 73 LEU HG . . 5.500 4.006 3.538 4.407 . 0 0 "[ . 1 . 2]" 1
1138 1 71 ASP H 1 71 ASP HB2 . . 3.560 2.473 2.255 2.636 . 0 0 "[ . 1 . 2]" 1
1139 1 71 ASP H 1 71 ASP HB3 . . 2.960 2.769 2.439 2.980 0.020 19 0 "[ . 1 . 2]" 1
1140 1 71 ASP H 1 72 MET H . . 3.780 2.528 2.351 2.702 . 0 0 "[ . 1 . 2]" 1
1141 1 71 ASP H 1 72 MET QB . . 5.120 4.656 4.464 4.927 . 0 0 "[ . 1 . 2]" 1
1142 1 71 ASP H 1 72 MET QG . . 4.510 3.889 3.507 4.290 . 0 0 "[ . 1 . 2]" 1
1143 1 71 ASP H 1 73 LEU HG . . 4.370 4.419 4.304 4.493 0.123 20 0 "[ . 1 . 2]" 1
1144 1 71 ASP H 1 74 ASP H . . 5.500 5.111 4.798 5.475 . 0 0 "[ . 1 . 2]" 1
1145 1 71 ASP HA 1 71 ASP HB2 . . 3.000 2.609 2.479 2.730 . 0 0 "[ . 1 . 2]" 1
1146 1 71 ASP HA 1 74 ASP H . . 3.690 3.376 3.017 3.744 0.054 17 0 "[ . 1 . 2]" 1
1147 1 71 ASP HA 1 75 LEU MD2 . . 4.300 4.156 3.887 4.312 0.012 12 0 "[ . 1 . 2]" 1
1148 1 71 ASP HB2 1 72 MET H . . 4.290 4.050 3.827 4.295 0.005 3 0 "[ . 1 . 2]" 1
1149 1 71 ASP HB3 1 72 MET H . . 4.180 3.157 2.659 3.621 . 0 0 "[ . 1 . 2]" 1
1150 1 71 ASP HB3 1 73 LEU H . . 5.250 5.005 4.765 5.180 . 0 0 "[ . 1 . 2]" 1
1151 1 71 ASP HB3 1 75 LEU HG . . 5.120 5.165 5.045 5.200 0.080 12 0 "[ . 1 . 2]" 1
1152 1 72 MET H 1 73 LEU H . . 4.080 2.470 2.252 2.702 . 0 0 "[ . 1 . 2]" 1
1153 1 72 MET H 1 73 LEU HB2 . . 5.010 4.863 4.614 5.031 0.021 17 0 "[ . 1 . 2]" 1
1154 1 72 MET H 1 74 ASP H . . 4.830 4.541 4.263 4.832 0.002 4 0 "[ . 1 . 2]" 1
1155 1 72 MET H 1 75 LEU HG . . 5.500 4.780 4.398 5.314 . 0 0 "[ . 1 . 2]" 1
1156 1 72 MET HA 1 75 LEU HG . . 3.960 2.876 2.178 3.978 0.018 3 0 "[ . 1 . 2]" 1
1157 1 72 MET HA 1 75 LEU MD1 . . 3.530 2.859 2.359 3.541 0.011 3 0 "[ . 1 . 2]" 1
1158 1 72 MET QB 1 73 LEU HA . . 4.210 4.056 3.798 4.247 0.037 7 0 "[ . 1 . 2]" 1
1159 1 72 MET QG 1 73 LEU HG . . 5.500 4.670 4.347 5.272 . 0 0 "[ . 1 . 2]" 1
1160 1 73 LEU H 1 73 LEU HB2 . . 3.620 2.659 2.363 2.798 . 0 0 "[ . 1 . 2]" 1
1161 1 73 LEU H 1 73 LEU HB3 . . 4.100 3.576 3.491 3.644 . 0 0 "[ . 1 . 2]" 1
1162 1 73 LEU H 1 73 LEU HG . . 4.130 2.035 1.869 2.238 . 0 0 "[ . 1 . 2]" 1
1163 1 73 LEU H 1 73 LEU QD . . 5.200 2.805 2.594 3.038 . 0 0 "[ . 1 . 2]" 1
1164 1 73 LEU H 1 74 ASP H . . 3.640 2.622 2.400 2.853 . 0 0 "[ . 1 . 2]" 1
1165 1 73 LEU H 1 75 LEU H . . 5.450 3.948 3.736 4.168 . 0 0 "[ . 1 . 2]" 1
1166 1 73 LEU H 1 76 ALA H . . 5.500 5.538 5.504 5.591 0.091 13 0 "[ . 1 . 2]" 1
1167 1 73 LEU H 1 79 LEU MD1 . . 4.300 4.227 4.075 4.342 0.042 4 0 "[ . 1 . 2]" 1
1168 1 73 LEU HA 1 73 LEU MD2 . . 4.010 2.309 2.181 2.445 . 0 0 "[ . 1 . 2]" 1
1169 1 73 LEU HA 1 73 LEU QD . . 3.920 2.293 2.170 2.423 . 0 0 "[ . 1 . 2]" 1
1170 1 73 LEU HA 1 75 LEU HB2 . . 5.410 4.861 4.600 5.250 . 0 0 "[ . 1 . 2]" 1
1171 1 73 LEU HA 1 76 ALA H . . 4.060 3.962 3.803 4.081 0.021 4 0 "[ . 1 . 2]" 1
1172 1 73 LEU HA 1 76 ALA MB . . 4.050 3.804 3.487 4.054 0.004 7 0 "[ . 1 . 2]" 1
1173 1 73 LEU HB2 1 74 ASP H . . 3.820 2.138 1.733 2.414 . 0 0 "[ . 1 . 2]" 1
1174 1 73 LEU HB3 1 74 ASP H . . 4.290 3.474 2.710 3.664 . 0 0 "[ . 1 . 2]" 1
1175 1 73 LEU HB3 1 74 ASP HA . . 4.910 4.843 4.256 4.933 0.023 18 0 "[ . 1 . 2]" 1
1176 1 73 LEU HB3 1 75 LEU H . . 5.500 5.312 5.113 5.502 0.002 3 0 "[ . 1 . 2]" 1
1177 1 73 LEU HB3 1 79 LEU MD1 . . 3.630 2.016 1.927 2.113 . 0 0 "[ . 1 . 2]" 1
1178 1 73 LEU HB3 1 79 LEU MD2 . . 3.860 3.832 2.613 3.925 0.065 14 0 "[ . 1 . 2]" 1
1179 1 73 LEU HG 1 74 ASP H . . 4.290 3.730 3.443 4.007 . 0 0 "[ . 1 . 2]" 1
1180 1 73 LEU QD 1 74 ASP H . . 5.500 3.716 3.496 3.980 . 0 0 "[ . 1 . 2]" 1
1181 1 73 LEU QD 1 83 SER QB . . 4.470 3.761 2.456 4.599 0.129 11 0 "[ . 1 . 2]" 1
1182 1 73 LEU QD 1 84 ARG H . . 5.500 3.469 3.029 4.545 . 0 0 "[ . 1 . 2]" 1
1183 1 73 LEU QD 1 84 ARG HA . . 4.800 2.956 2.179 4.026 . 0 0 "[ . 1 . 2]" 1
1184 1 74 ASP H 1 74 ASP HB2 . . 3.040 2.154 2.055 2.333 . 0 0 "[ . 1 . 2]" 1
1185 1 74 ASP H 1 74 ASP HB3 . . 3.440 3.018 2.647 3.462 0.022 15 0 "[ . 1 . 2]" 1
1186 1 74 ASP H 1 75 LEU H . . 3.570 3.133 3.025 3.244 . 0 0 "[ . 1 . 2]" 1
1187 1 74 ASP H 1 75 LEU HB2 . . 5.500 5.515 5.468 5.539 0.039 4 0 "[ . 1 . 2]" 1
1188 1 74 ASP H 1 75 LEU HG . . 4.750 4.527 4.341 4.750 . 0 0 "[ . 1 . 2]" 1
1189 1 74 ASP H 1 75 LEU MD2 . . 5.500 4.676 4.369 4.898 . 0 0 "[ . 1 . 2]" 1
1190 1 74 ASP H 1 76 ALA H . . 4.720 4.501 4.390 4.624 . 0 0 "[ . 1 . 2]" 1
1191 1 74 ASP H 1 76 ALA MB . . 5.260 5.231 5.081 5.293 0.033 15 0 "[ . 1 . 2]" 1
1192 1 74 ASP H 1 79 LEU HB2 . . 5.690 5.165 4.921 5.410 . 0 0 "[ . 1 . 2]" 1
1193 1 74 ASP H 1 79 LEU HB3 . . 5.270 5.344 5.318 5.373 0.103 20 0 "[ . 1 . 2]" 1
1194 1 74 ASP H 1 79 LEU HG . . 5.900 5.810 5.516 5.995 0.095 4 0 "[ . 1 . 2]" 1
1195 1 74 ASP H 1 79 LEU MD1 . . 3.700 2.780 2.632 2.957 . 0 0 "[ . 1 . 2]" 1
1196 1 74 ASP H 1 79 LEU MD2 . . 4.490 4.476 4.119 4.535 0.045 18 0 "[ . 1 . 2]" 1
1197 1 74 ASP HA 1 79 LEU MD1 . . 3.500 2.480 2.140 2.897 . 0 0 "[ . 1 . 2]" 1
1198 1 74 ASP HB2 1 75 LEU H . . 4.010 3.883 3.600 4.018 0.008 19 0 "[ . 1 . 2]" 1
1199 1 74 ASP HB2 1 75 LEU HG . . 5.170 4.952 4.512 5.193 0.023 1 0 "[ . 1 . 2]" 1
1200 1 74 ASP HB2 1 75 LEU MD2 . . 4.170 4.207 4.186 4.223 0.053 9 0 "[ . 1 . 2]" 1
1201 1 74 ASP HB3 1 75 LEU H . . 4.260 3.174 2.764 3.869 . 0 0 "[ . 1 . 2]" 1
1202 1 74 ASP HB3 1 75 LEU HG . . 5.100 3.992 2.848 5.127 0.027 15 0 "[ . 1 . 2]" 1
1203 1 74 ASP HB3 1 75 LEU MD2 . . 3.890 2.938 2.623 3.894 0.004 15 0 "[ . 1 . 2]" 1
1204 1 74 ASP HB3 1 76 ALA H . . 5.500 5.058 4.907 5.265 . 0 0 "[ . 1 . 2]" 1
1205 1 75 LEU H 1 75 LEU HB2 . . 3.630 2.549 2.465 2.614 . 0 0 "[ . 1 . 2]" 1
1206 1 75 LEU H 1 75 LEU HB3 . . 3.640 3.586 3.546 3.626 . 0 0 "[ . 1 . 2]" 1
1207 1 75 LEU H 1 75 LEU HG . . 3.180 2.209 2.056 2.300 . 0 0 "[ . 1 . 2]" 1
1208 1 75 LEU H 1 75 LEU MD1 . . 3.730 3.737 3.634 3.768 0.038 2 0 "[ . 1 . 2]" 1
1209 1 75 LEU H 1 75 LEU MD2 . . 4.310 2.816 2.654 3.130 . 0 0 "[ . 1 . 2]" 1
1210 1 75 LEU H 1 76 ALA H . . 3.250 2.565 2.409 2.683 . 0 0 "[ . 1 . 2]" 1
1211 1 75 LEU H 1 76 ALA MB . . 5.040 4.267 4.084 4.399 . 0 0 "[ . 1 . 2]" 1
1212 1 75 LEU HA 1 75 LEU MD2 . . 3.020 2.270 2.190 2.357 . 0 0 "[ . 1 . 2]" 1
1213 1 75 LEU HB3 1 75 LEU MD1 . . 2.620 2.286 2.235 2.350 . 0 0 "[ . 1 . 2]" 1
1214 1 75 LEU HB3 1 75 LEU MD2 . . 3.140 2.611 2.555 2.680 . 0 0 "[ . 1 . 2]" 1
1215 1 75 LEU HB3 1 76 ALA H . . 5.420 4.170 3.971 4.338 . 0 0 "[ . 1 . 2]" 1
1216 1 76 ALA H 1 76 ALA MB . . 3.420 2.270 2.196 2.337 . 0 0 "[ . 1 . 2]" 1
1217 1 76 ALA H 1 77 TYR H . . 4.960 4.605 4.474 4.674 . 0 0 "[ . 1 . 2]" 1
1218 1 76 ALA H 1 79 LEU MD1 . . 5.400 3.900 3.429 4.111 . 0 0 "[ . 1 . 2]" 1
1219 1 76 ALA HA 1 77 TYR H . . 3.030 2.319 2.180 2.445 . 0 0 "[ . 1 . 2]" 1
1220 1 76 ALA HA 1 77 TYR HB3 . . 4.780 4.678 4.353 4.808 0.028 11 0 "[ . 1 . 2]" 1
1221 1 76 ALA MB 1 77 TYR H . . 3.970 2.696 2.311 3.294 . 0 0 "[ . 1 . 2]" 1
1222 1 76 ALA MB 1 77 TYR HA . . 5.500 4.437 4.307 4.666 . 0 0 "[ . 1 . 2]" 1
1223 1 76 ALA MB 1 77 TYR HB3 . . 5.500 4.375 4.026 5.176 . 0 0 "[ . 1 . 2]" 1
1224 1 76 ALA MB 1 79 LEU H . . 5.160 4.892 4.040 5.177 0.017 9 0 "[ . 1 . 2]" 1
1225 1 77 TYR H 1 77 TYR HB2 . . 3.530 2.670 2.454 3.529 . 0 0 "[ . 1 . 2]" 1
1226 1 77 TYR H 1 77 TYR HB3 . . 3.570 2.391 2.264 2.556 . 0 0 "[ . 1 . 2]" 1
1227 1 77 TYR H 1 77 TYR QB . . 3.410 2.217 2.152 2.273 . 0 0 "[ . 1 . 2]" 1
1228 1 77 TYR H 1 77 TYR QD . . 4.220 4.122 2.754 4.238 0.018 10 0 "[ . 1 . 2]" 1
1229 1 77 TYR H 1 78 GLY H . . 5.490 4.623 4.550 4.674 . 0 0 "[ . 1 . 2]" 1
1230 1 77 TYR HA 1 77 TYR QD . . 3.510 2.776 2.418 3.516 0.006 3 0 "[ . 1 . 2]" 1
1231 1 77 TYR HA 1 77 TYR QE . . 5.170 4.724 4.502 5.341 0.171 3 0 "[ . 1 . 2]" 1
1232 1 77 TYR HA 1 78 GLY H . . 3.570 2.166 2.061 2.284 . 0 0 "[ . 1 . 2]" 1
1233 1 77 TYR HA 1 78 GLY HA3 . . 4.860 4.285 4.090 4.383 . 0 0 "[ . 1 . 2]" 1
1234 1 77 TYR HA 1 79 LEU H . . 4.220 4.190 3.905 4.255 0.035 14 0 "[ . 1 . 2]" 1
1235 1 77 TYR HB2 1 78 GLY H . . 5.030 3.961 3.065 4.145 . 0 0 "[ . 1 . 2]" 1
1236 1 77 TYR HB2 1 78 GLY HA3 . . 5.100 5.144 4.474 5.218 0.118 15 0 "[ . 1 . 2]" 1
1237 1 77 TYR HB3 1 78 GLY H . . 5.060 4.096 3.837 4.295 . 0 0 "[ . 1 . 2]" 1
1238 1 77 TYR QB 1 78 GLY HA3 . . 4.260 4.141 3.951 4.312 0.052 3 0 "[ . 1 . 2]" 1
1239 1 77 TYR QD 1 78 GLY H . . 3.920 3.209 2.788 3.496 . 0 0 "[ . 1 . 2]" 1
1240 1 77 TYR QD 1 78 GLY HA2 . . 5.490 4.232 3.903 4.582 . 0 0 "[ . 1 . 2]" 1
1241 1 77 TYR QD 1 78 GLY HA3 . . 4.640 3.107 2.614 3.441 . 0 0 "[ . 1 . 2]" 1
1242 1 78 GLY H 1 79 LEU H . . 4.190 2.894 2.635 3.068 . 0 0 "[ . 1 . 2]" 1
1243 1 78 GLY HA2 1 79 LEU H . . 3.540 2.855 2.785 2.997 . 0 0 "[ . 1 . 2]" 1
1244 1 78 GLY HA2 1 79 LEU HB2 . . 5.100 5.138 5.082 5.177 0.077 12 0 "[ . 1 . 2]" 1
1245 1 79 LEU H 1 79 LEU HB2 . . 3.140 2.330 2.232 2.479 . 0 0 "[ . 1 . 2]" 1
1246 1 79 LEU H 1 79 LEU HB3 . . 2.780 2.572 2.356 2.715 . 0 0 "[ . 1 . 2]" 1
1247 1 79 LEU H 1 79 LEU MD1 . . 4.170 4.133 4.062 4.186 0.016 20 0 "[ . 1 . 2]" 1
1248 1 79 LEU H 1 80 THR H . . 4.840 4.586 4.462 4.707 . 0 0 "[ . 1 . 2]" 1
1249 1 79 LEU HA 1 79 LEU HG . . 3.930 2.314 2.218 2.538 . 0 0 "[ . 1 . 2]" 1
1250 1 79 LEU HA 1 79 LEU MD2 . . 3.280 3.332 3.292 3.361 0.081 16 0 "[ . 1 . 2]" 1
1251 1 79 LEU HA 1 80 THR H . . 3.060 2.086 2.019 2.239 . 0 0 "[ . 1 . 2]" 1
1252 1 79 LEU HB2 1 79 LEU MD1 . . 2.830 2.208 2.129 2.251 . 0 0 "[ . 1 . 2]" 1
1253 1 79 LEU HB2 1 80 THR H . . 4.810 4.123 3.948 4.298 . 0 0 "[ . 1 . 2]" 1
1254 1 79 LEU HB3 1 79 LEU MD2 . . 3.570 2.279 2.164 2.404 . 0 0 "[ . 1 . 2]" 1
1255 1 79 LEU HG 1 80 THR H . . 4.120 2.533 2.107 3.080 . 0 0 "[ . 1 . 2]" 1
1256 1 79 LEU HG 1 83 SER H . . 4.510 4.571 4.506 4.623 0.113 10 0 "[ . 1 . 2]" 1
1257 1 79 LEU HG 1 83 SER HA . . 5.300 4.576 4.161 4.778 . 0 0 "[ . 1 . 2]" 1
1258 1 79 LEU MD1 1 80 THR H . . 5.090 4.164 3.803 4.590 . 0 0 "[ . 1 . 2]" 1
1259 1 79 LEU MD2 1 80 THR H . . 3.900 2.984 2.647 3.261 . 0 0 "[ . 1 . 2]" 1
1260 1 79 LEU MD2 1 83 SER H . . 4.070 3.478 3.281 3.770 . 0 0 "[ . 1 . 2]" 1
1261 1 79 LEU MD2 1 83 SER HA . . 4.340 4.389 4.348 4.420 0.080 6 0 "[ . 1 . 2]" 1
1262 1 79 LEU MD2 1 83 SER QB . . 3.730 2.077 1.899 2.666 . 0 0 "[ . 1 . 2]" 1
1263 1 80 THR H 1 80 THR MG . . 3.880 3.546 3.016 3.890 0.010 16 0 "[ . 1 . 2]" 1
1264 1 80 THR H 1 81 GLU H . . 5.100 4.580 4.394 4.647 . 0 0 "[ . 1 . 2]" 1
1265 1 80 THR H 1 82 THR H . . 4.790 4.749 4.447 4.853 0.063 2 0 "[ . 1 . 2]" 1
1266 1 80 THR H 1 83 SER H . . 4.120 4.033 3.813 4.163 0.043 16 0 "[ . 1 . 2]" 1
1267 1 80 THR H 1 83 SER HA . . 4.750 4.587 4.293 4.775 0.025 9 0 "[ . 1 . 2]" 1
1268 1 80 THR H 1 83 SER QB . . 4.130 2.422 1.994 2.940 . 0 0 "[ . 1 . 2]" 1
1269 1 80 THR HA 1 80 THR MG . . 3.220 2.249 2.166 2.374 . 0 0 "[ . 1 . 2]" 1
1270 1 80 THR HA 1 81 GLU H . . 3.100 2.362 2.221 2.488 . 0 0 "[ . 1 . 2]" 1
1271 1 80 THR HA 1 81 GLU HG2 . . 5.500 4.592 3.605 5.502 0.002 6 0 "[ . 1 . 2]" 1
1272 1 80 THR HA 1 82 THR H . . 4.540 4.219 4.042 4.586 0.046 9 0 "[ . 1 . 2]" 1
1273 1 80 THR HB 1 81 GLU H . . 3.120 2.986 2.573 3.253 0.133 16 0 "[ . 1 . 2]" 1
1274 1 80 THR HB 1 81 GLU HA . . 4.850 4.766 4.525 4.904 0.054 13 0 "[ . 1 . 2]" 1
1275 1 80 THR HB 1 82 THR H . . 4.080 2.367 2.021 2.793 . 0 0 "[ . 1 . 2]" 1
1276 1 80 THR HB 1 83 SER HA . . 5.500 4.253 3.996 4.589 . 0 0 "[ . 1 . 2]" 1
1277 1 80 THR MG 1 81 GLU H . . 4.110 2.133 1.613 2.747 . 0 0 "[ . 1 . 2]" 1
1278 1 80 THR MG 1 81 GLU HB2 . . 3.810 3.647 3.155 3.931 0.121 9 0 "[ . 1 . 2]" 1
1279 1 80 THR MG 1 82 THR H . . 4.510 3.126 2.318 3.732 . 0 0 "[ . 1 . 2]" 1
1280 1 80 THR MG 1 83 SER HA . . 5.460 5.427 5.229 5.515 0.055 16 0 "[ . 1 . 2]" 1
1281 1 81 GLU H 1 81 GLU HB2 . . 3.350 2.511 2.105 3.265 . 0 0 "[ . 1 . 2]" 1
1282 1 81 GLU H 1 81 GLU HB3 . . 3.850 3.393 1.902 3.698 . 0 0 "[ . 1 . 2]" 1
1283 1 81 GLU H 1 81 GLU HG2 . . 3.950 2.931 1.853 3.684 . 0 0 "[ . 1 . 2]" 1
1284 1 81 GLU H 1 82 THR H . . 3.720 2.872 2.769 2.951 . 0 0 "[ . 1 . 2]" 1
1285 1 81 GLU H 1 82 THR HA . . 5.500 5.506 5.367 5.560 0.060 13 0 "[ . 1 . 2]" 1
1286 1 81 GLU H 1 82 THR MG . . 5.500 4.666 4.246 4.844 . 0 0 "[ . 1 . 2]" 1
1287 1 81 GLU H 1 83 SER H . . 5.110 4.362 4.178 4.625 . 0 0 "[ . 1 . 2]" 1
1288 1 81 GLU HA 1 81 GLU HG2 . . 3.730 2.840 2.293 3.761 0.031 13 0 "[ . 1 . 2]" 1
1289 1 81 GLU HA 1 81 GLU QG . . 3.560 2.690 2.206 3.352 . 0 0 "[ . 1 . 2]" 1
1290 1 81 GLU HA 1 82 THR HA . . 4.730 4.544 4.376 4.673 . 0 0 "[ . 1 . 2]" 1
1291 1 81 GLU HA 1 82 THR MG . . 4.910 4.581 4.351 4.736 . 0 0 "[ . 1 . 2]" 1
1292 1 81 GLU HA 1 83 SER H . . 4.240 3.987 3.508 4.293 0.053 9 0 "[ . 1 . 2]" 1
1293 1 81 GLU HB2 1 82 THR MG . . 4.040 3.511 2.866 4.031 . 0 0 "[ . 1 . 2]" 1
1294 1 81 GLU HB3 1 82 THR H . . 4.990 4.060 3.735 4.374 . 0 0 "[ . 1 . 2]" 1
1295 1 81 GLU HB3 1 82 THR MG . . 4.260 3.776 3.232 4.333 0.073 9 0 "[ . 1 . 2]" 1
1296 1 82 THR H 1 82 THR MG . . 4.100 3.040 2.904 3.203 . 0 0 "[ . 1 . 2]" 1
1297 1 82 THR H 1 83 SER H . . 3.170 2.429 2.279 2.700 . 0 0 "[ . 1 . 2]" 1
1298 1 82 THR H 1 83 SER HA . . 4.410 4.431 4.373 4.478 0.068 10 0 "[ . 1 . 2]" 1
1299 1 82 THR H 1 83 SER QB . . 5.080 3.992 3.765 4.342 . 0 0 "[ . 1 . 2]" 1
1300 1 82 THR HA 1 82 THR MG . . 3.350 2.392 2.314 2.463 . 0 0 "[ . 1 . 2]" 1
1301 1 82 THR HA 1 83 SER H . . 3.050 3.047 2.939 3.101 0.051 9 0 "[ . 1 . 2]" 1
1302 1 82 THR HB 1 83 SER H . . 4.400 4.459 4.446 4.473 0.073 7 0 "[ . 1 . 2]" 1
1303 1 82 THR MG 1 83 SER H . . 5.070 4.476 4.382 4.543 . 0 0 "[ . 1 . 2]" 1
1304 1 83 SER H 1 83 SER QB . . 2.990 2.314 2.175 2.865 . 0 0 "[ . 1 . 2]" 1
1305 1 83 SER HA 1 84 ARG H . . 3.030 2.249 2.143 2.354 . 0 0 "[ . 1 . 2]" 1
1306 1 83 SER QB 1 84 ARG H . . 3.880 3.374 2.689 3.643 . 0 0 "[ . 1 . 2]" 1
1307 1 84 ARG H 1 84 ARG HG2 . . 5.250 4.209 3.236 5.293 0.043 12 0 "[ . 1 . 2]" 1
1308 1 84 ARG HA 1 84 ARG HD2 . . 3.810 3.295 2.072 4.011 0.201 9 0 "[ . 1 . 2]" 1
1309 1 84 ARG HA 1 84 ARG HD3 . . 4.650 3.609 2.411 4.957 0.307 9 0 "[ . 1 . 2]" 1
1310 1 84 ARG HA 1 84 ARG HG3 . . 4.110 3.433 2.655 3.761 . 0 0 "[ . 1 . 2]" 1
1311 1 84 ARG HA 1 85 LEU H . . 3.540 2.389 2.092 3.513 . 0 0 "[ . 1 . 2]" 1
1312 1 84 ARG HA 1 85 LEU HB3 . . 4.580 4.337 3.735 4.625 0.045 2 0 "[ . 1 . 2]" 1
1313 1 84 ARG HB2 1 89 ILE MG . . 3.860 4.152 4.103 4.187 0.327 6 0 "[ . 1 . 2]" 1
1314 1 84 ARG HB3 1 85 LEU H . . 5.480 3.178 2.231 4.346 . 0 0 "[ . 1 . 2]" 1
1315 1 84 ARG HD2 1 89 ILE MG . . 5.500 3.455 2.071 4.861 . 0 0 "[ . 1 . 2]" 1
1316 1 84 ARG HD3 1 89 ILE MG . . 5.500 3.452 2.140 5.252 . 0 0 "[ . 1 . 2]" 1
1317 1 85 LEU HB3 1 85 LEU MD2 . . 2.480 2.363 2.228 2.488 0.008 8 0 "[ . 1 . 2]" 1
1318 1 89 ILE H 1 89 ILE HB . . 3.810 3.204 2.363 3.697 . 0 0 "[ . 1 . 2]" 1
1319 1 89 ILE H 1 89 ILE MD . . 4.830 4.427 4.002 4.833 0.003 20 0 "[ . 1 . 2]" 1
1320 1 89 ILE H 1 90 LYS H . . 4.870 4.339 3.917 4.660 . 0 0 "[ . 1 . 2]" 1
1321 1 89 ILE HA 1 89 ILE HG13 . . 4.210 3.157 2.815 3.427 . 0 0 "[ . 1 . 2]" 1
1322 1 89 ILE HA 1 89 ILE MD . . 3.570 2.407 1.994 3.543 . 0 0 "[ . 1 . 2]" 1
1323 1 89 ILE HA 1 90 LYS H . . 2.800 2.167 1.962 2.422 . 0 0 "[ . 1 . 2]" 1
1324 1 89 ILE HB 1 89 ILE MD . . 3.540 2.581 2.330 3.212 . 0 0 "[ . 1 . 2]" 1
1325 1 89 ILE HB 1 90 LYS H . . 4.570 4.041 3.802 4.235 . 0 0 "[ . 1 . 2]" 1
1326 1 89 ILE HG13 1 90 LYS H . . 3.540 3.007 2.475 3.641 0.101 20 0 "[ . 1 . 2]" 1
1327 1 89 ILE MD 1 90 LYS H . . 3.930 2.053 1.805 2.951 . 0 0 "[ . 1 . 2]" 1
1328 1 89 ILE MD 1 90 LYS HA . . 4.490 4.359 3.728 4.556 0.066 17 0 "[ . 1 . 2]" 1
1329 1 89 ILE MD 1 90 LYS HG3 . . 4.550 3.616 2.880 4.589 0.039 20 0 "[ . 1 . 2]" 1
1330 1 89 ILE MD 1 90 LYS QE . . 5.500 4.265 3.368 5.267 . 0 0 "[ . 1 . 2]" 1
1331 1 89 ILE MG 1 90 LYS H . . 5.180 3.845 3.528 4.203 . 0 0 "[ . 1 . 2]" 1
1332 1 89 ILE MG 1 90 LYS HG3 . . 5.170 5.210 5.110 5.250 0.080 2 0 "[ . 1 . 2]" 1
1333 1 90 LYS H 1 90 LYS HB2 . . 3.560 3.621 3.490 3.683 0.123 6 0 "[ . 1 . 2]" 1
1334 1 90 LYS H 1 90 LYS HB3 . . 3.970 3.383 3.207 3.576 . 0 0 "[ . 1 . 2]" 1
1335 1 90 LYS H 1 90 LYS HG2 . . 3.830 3.707 3.410 3.849 0.019 10 0 "[ . 1 . 2]" 1
1336 1 90 LYS H 1 90 LYS HG3 . . 4.660 2.197 1.871 2.430 . 0 0 "[ . 1 . 2]" 1
1337 1 90 LYS H 1 90 LYS QD . . 3.880 2.382 2.029 2.806 . 0 0 "[ . 1 . 2]" 1
1338 1 90 LYS H 1 90 LYS QE . . 5.500 3.935 3.179 4.427 . 0 0 "[ . 1 . 2]" 1
1339 1 90 LYS HA 1 90 LYS HG3 . . 4.180 3.692 3.643 3.752 . 0 0 "[ . 1 . 2]" 1
1340 1 90 LYS HA 1 90 LYS QD . . 4.390 3.778 3.642 3.863 . 0 0 "[ . 1 . 2]" 1
1341 1 90 LYS HA 1 91 MET H . . 2.980 2.443 2.254 2.688 . 0 0 "[ . 1 . 2]" 1
1342 1 90 LYS HA 1 91 MET QB . . 4.930 4.701 4.518 4.883 . 0 0 "[ . 1 . 2]" 1
1343 1 90 LYS HB2 1 91 MET H . . 3.450 2.252 2.019 2.409 . 0 0 "[ . 1 . 2]" 1
1344 1 90 LYS HB3 1 90 LYS QE . . 4.710 4.225 3.392 4.514 . 0 0 "[ . 1 . 2]" 1
1345 1 90 LYS HB3 1 91 MET HG2 . . 5.500 5.219 5.005 5.430 . 0 0 "[ . 1 . 2]" 1
1346 1 90 LYS QE 1 90 LYS HG2 . . 3.720 2.296 2.155 2.491 . 0 0 "[ . 1 . 2]" 1
1347 1 90 LYS HG2 1 91 MET H . . 4.870 4.678 4.346 4.885 0.015 5 0 "[ . 1 . 2]" 1
1348 1 90 LYS QD 1 91 MET H . . 3.780 3.548 3.073 3.811 0.031 15 0 "[ . 1 . 2]" 1
1349 1 90 LYS QD 1 91 MET HA . . 4.640 4.257 3.797 4.502 . 0 0 "[ . 1 . 2]" 1
1350 1 90 LYS QD 1 91 MET QB . . 4.860 4.441 4.098 4.932 0.072 15 0 "[ . 1 . 2]" 1
1351 1 90 LYS QD 1 92 SER H . . 4.790 4.625 3.990 4.830 0.040 4 0 "[ . 1 . 2]" 1
1352 1 91 MET H 1 91 MET HG2 . . 4.140 2.242 2.057 2.496 . 0 0 "[ . 1 . 2]" 1
1353 1 91 MET H 1 91 MET HG3 . . 3.930 3.687 3.559 3.886 . 0 0 "[ . 1 . 2]" 1
1354 1 91 MET H 1 91 MET QB . . 3.570 2.494 2.386 2.626 . 0 0 "[ . 1 . 2]" 1
1355 1 91 MET H 1 92 SER H . . 4.720 4.641 4.555 4.703 . 0 0 "[ . 1 . 2]" 1
1356 1 91 MET HA 1 92 SER H . . 2.820 2.190 2.038 2.273 . 0 0 "[ . 1 . 2]" 1
1357 1 91 MET HA 1 92 SER HB3 . . 5.340 4.610 4.268 5.409 0.069 2 0 "[ . 1 . 2]" 1
1358 1 91 MET HA 1 95 ILE MD . . 3.700 2.787 1.899 3.418 . 0 0 "[ . 1 . 2]" 1
1359 1 91 MET HG2 1 92 SER H . . 5.290 5.210 5.105 5.308 0.018 1 0 "[ . 1 . 2]" 1
1360 1 91 MET HG3 1 95 ILE MD . . 4.740 3.317 2.369 4.154 . 0 0 "[ . 1 . 2]" 1
1361 1 91 MET QB 1 92 SER H . . 4.640 2.963 2.631 3.381 . 0 0 "[ . 1 . 2]" 1
1362 1 91 MET QB 1 95 ILE MD . . 4.950 2.389 2.130 2.956 . 0 0 "[ . 1 . 2]" 1
1363 1 92 SER H 1 92 SER HB3 . . 3.980 3.332 3.110 3.898 . 0 0 "[ . 1 . 2]" 1
1364 1 92 SER H 1 95 ILE HB . . 4.700 4.126 3.837 4.726 0.026 8 0 "[ . 1 . 2]" 1
1365 1 92 SER H 1 95 ILE HG12 . . 3.580 1.794 1.603 2.117 . 0 0 "[ . 1 . 2]" 1
1366 1 92 SER H 1 95 ILE HG13 . . 3.640 3.135 2.815 3.618 . 0 0 "[ . 1 . 2]" 1
1367 1 92 SER H 1 95 ILE MD . . 3.800 3.074 1.945 3.710 . 0 0 "[ . 1 . 2]" 1
1368 1 92 SER H 1 95 ILE MG . . 4.740 2.396 1.852 3.730 . 0 0 "[ . 1 . 2]" 1
1369 1 92 SER HA 1 93 LYS H . . 3.300 2.624 2.577 2.799 . 0 0 "[ . 1 . 2]" 1
1370 1 92 SER HA 1 94 ASP H . . 4.530 4.360 4.225 4.537 0.007 16 0 "[ . 1 . 2]" 1
1371 1 92 SER HA 1 95 ILE H . . 5.500 5.021 4.782 5.407 . 0 0 "[ . 1 . 2]" 1
1372 1 92 SER HA 1 95 ILE HG13 . . 5.490 5.212 4.841 5.399 . 0 0 "[ . 1 . 2]" 1
1373 1 92 SER HA 1 95 ILE MD . . 5.380 5.154 4.417 5.414 0.034 2 0 "[ . 1 . 2]" 1
1374 1 92 SER HB2 1 93 LYS H . . 3.500 2.491 2.181 3.381 . 0 0 "[ . 1 . 2]" 1
1375 1 92 SER HB2 1 94 ASP H . . 4.060 3.225 2.728 3.491 . 0 0 "[ . 1 . 2]" 1
1376 1 92 SER HB2 1 95 ILE H . . 5.110 4.746 3.441 5.115 0.005 1 0 "[ . 1 . 2]" 1
1377 1 92 SER HB3 1 93 LYS H . . 4.210 3.733 2.576 4.005 . 0 0 "[ . 1 . 2]" 1
1378 1 92 SER HB3 1 94 ASP H . . 4.730 4.290 3.423 4.581 . 0 0 "[ . 1 . 2]" 1
1379 1 92 SER HB3 1 95 ILE H . . 5.500 5.235 4.829 5.532 0.032 19 0 "[ . 1 . 2]" 1
1380 1 93 LYS H 1 93 LYS HB2 . . 3.550 2.673 2.160 3.618 0.068 8 0 "[ . 1 . 2]" 1
1381 1 93 LYS H 1 93 LYS HG2 . . 4.360 3.217 2.175 4.433 0.073 19 0 "[ . 1 . 2]" 1
1382 1 93 LYS H 1 94 ASP H . . 3.810 2.848 2.571 2.959 . 0 0 "[ . 1 . 2]" 1
1383 1 93 LYS H 1 94 ASP HA . . 5.500 5.443 5.174 5.528 0.028 20 0 "[ . 1 . 2]" 1
1384 1 93 LYS H 1 95 ILE H . . 5.500 4.486 4.297 4.645 . 0 0 "[ . 1 . 2]" 1
1385 1 93 LYS HA 1 93 LYS HE2 . . 4.540 4.470 4.070 4.612 0.072 19 0 "[ . 1 . 2]" 1
1386 1 93 LYS HA 1 93 LYS HG2 . . 3.840 3.127 2.257 3.856 0.016 8 0 "[ . 1 . 2]" 1
1387 1 93 LYS HA 1 95 ILE H . . 4.780 3.760 3.516 4.106 . 0 0 "[ . 1 . 2]" 1
1388 1 93 LYS HA 1 95 ILE HG13 . . 4.290 4.310 4.192 4.363 0.073 14 0 "[ . 1 . 2]" 1
1389 1 93 LYS HB2 1 94 ASP H . . 4.220 3.785 3.051 4.256 0.036 8 0 "[ . 1 . 2]" 1
1390 1 94 ASP H 1 94 ASP HB2 . . 3.660 2.343 2.124 2.627 . 0 0 "[ . 1 . 2]" 1
1391 1 94 ASP H 1 94 ASP HB3 . . 3.830 3.297 2.223 3.631 . 0 0 "[ . 1 . 2]" 1
1392 1 94 ASP H 1 95 ILE H . . 3.830 2.541 2.459 2.643 . 0 0 "[ . 1 . 2]" 1
1393 1 94 ASP H 1 95 ILE HG12 . . 5.450 4.632 3.807 4.992 . 0 0 "[ . 1 . 2]" 1
1394 1 94 ASP H 1 95 ILE HG13 . . 4.700 4.709 4.494 4.777 0.077 15 0 "[ . 1 . 2]" 1
1395 1 94 ASP H 1 95 ILE MG . . 5.500 3.448 3.162 3.779 . 0 0 "[ . 1 . 2]" 1
1396 1 94 ASP HA 1 96 ASP H . . 5.060 3.945 3.686 4.352 . 0 0 "[ . 1 . 2]" 1
1397 1 94 ASP HB2 1 95 ILE H . . 4.240 3.434 2.864 4.146 . 0 0 "[ . 1 . 2]" 1
1398 1 94 ASP HB2 1 95 ILE MG . . 4.550 3.382 2.315 4.523 . 0 0 "[ . 1 . 2]" 1
1399 1 94 ASP HB3 1 95 ILE H . . 4.190 3.640 2.684 4.055 . 0 0 "[ . 1 . 2]" 1
1400 1 94 ASP HB3 1 95 ILE HA . . 4.230 4.250 4.136 4.311 0.081 8 0 "[ . 1 . 2]" 1
1401 1 95 ILE H 1 95 ILE HG12 . . 3.490 2.927 2.300 3.183 . 0 0 "[ . 1 . 2]" 1
1402 1 95 ILE H 1 95 ILE HG13 . . 3.800 2.532 2.317 2.613 . 0 0 "[ . 1 . 2]" 1
1403 1 95 ILE H 1 95 ILE MD . . 4.490 3.974 3.743 4.080 . 0 0 "[ . 1 . 2]" 1
1404 1 95 ILE H 1 95 ILE MG . . 4.260 2.273 2.111 2.595 . 0 0 "[ . 1 . 2]" 1
1405 1 95 ILE H 1 96 ASP H . . 3.680 2.828 2.648 3.098 . 0 0 "[ . 1 . 2]" 1
1406 1 95 ILE H 1 96 ASP HA . . 5.050 4.743 4.464 4.960 . 0 0 "[ . 1 . 2]" 1
1407 1 95 ILE H 1 96 ASP HB3 . . 4.980 4.986 4.813 5.026 0.046 1 0 "[ . 1 . 2]" 1
1408 1 95 ILE H 1 98 ILE HB . . 5.500 5.287 5.129 5.434 . 0 0 "[ . 1 . 2]" 1
1409 1 95 ILE HA 1 95 ILE MG . . 3.370 2.440 2.372 2.484 . 0 0 "[ . 1 . 2]" 1
1410 1 95 ILE HA 1 97 GLY H . . 4.500 4.526 4.428 4.567 0.067 2 0 "[ . 1 . 2]" 1
1411 1 95 ILE HA 1 98 ILE H . . 3.810 3.837 3.714 3.916 0.106 13 0 "[ . 1 . 2]" 1
1412 1 95 ILE HA 1 98 ILE HB . . 4.500 2.967 2.468 3.978 . 0 0 "[ . 1 . 2]" 1
1413 1 95 ILE HA 1 98 ILE HG12 . . 4.710 4.714 4.467 4.769 0.059 3 0 "[ . 1 . 2]" 1
1414 1 95 ILE HB 1 95 ILE MD . . 3.680 2.209 2.163 2.276 . 0 0 "[ . 1 . 2]" 1
1415 1 95 ILE HB 1 96 ASP H . . 4.800 4.476 4.435 4.547 . 0 0 "[ . 1 . 2]" 1
1416 1 95 ILE HB 1 97 GLY H . . 5.320 4.391 4.272 4.494 . 0 0 "[ . 1 . 2]" 1
1417 1 95 ILE HB 1 98 ILE H . . 4.140 3.497 3.291 3.696 . 0 0 "[ . 1 . 2]" 1
1418 1 95 ILE HB 1 98 ILE MG . . 4.290 2.499 2.122 3.654 . 0 0 "[ . 1 . 2]" 1
1419 1 95 ILE HG13 1 96 ASP H . . 4.860 3.245 2.946 3.704 . 0 0 "[ . 1 . 2]" 1
1420 1 95 ILE HG13 1 96 ASP HA . . 5.500 3.346 3.124 3.553 . 0 0 "[ . 1 . 2]" 1
1421 1 95 ILE HG13 1 97 GLY H . . 4.060 4.152 4.096 4.216 0.156 14 0 "[ . 1 . 2]" 1
1422 1 95 ILE HG13 1 98 ILE MG . . 4.490 3.979 3.776 4.174 . 0 0 "[ . 1 . 2]" 1
1423 1 95 ILE MD 1 97 GLY H . . 4.090 3.214 2.611 4.118 0.028 13 0 "[ . 1 . 2]" 1
1424 1 95 ILE MD 1 98 ILE H . . 4.760 3.284 2.964 3.540 . 0 0 "[ . 1 . 2]" 1
1425 1 95 ILE MG 1 96 ASP HA . . 5.500 5.463 5.302 5.562 0.062 8 0 "[ . 1 . 2]" 1
1426 1 96 ASP H 1 96 ASP HB2 . . 3.260 2.527 2.306 2.929 . 0 0 "[ . 1 . 2]" 1
1427 1 96 ASP H 1 96 ASP HB3 . . 2.960 2.334 2.125 2.490 . 0 0 "[ . 1 . 2]" 1
1428 1 96 ASP H 1 97 GLY H . . 4.550 3.919 3.806 3.996 . 0 0 "[ . 1 . 2]" 1
1429 1 96 ASP HA 1 97 GLY H . . 3.160 2.178 2.026 2.345 . 0 0 "[ . 1 . 2]" 1
1430 1 96 ASP HB2 1 97 GLY H . . 5.060 4.428 4.197 4.552 . 0 0 "[ . 1 . 2]" 1
1431 1 96 ASP HB3 1 97 GLY H . . 4.430 4.456 4.440 4.483 0.053 2 0 "[ . 1 . 2]" 1
1432 1 97 GLY H 1 98 ILE H . . 3.580 1.967 1.869 2.093 . 0 0 "[ . 1 . 2]" 1
1433 1 98 ILE H 1 98 ILE HB . . 3.200 2.209 2.002 2.350 . 0 0 "[ . 1 . 2]" 1
1434 1 98 ILE H 1 98 ILE MD . . 4.520 4.454 4.381 4.543 0.023 16 0 "[ . 1 . 2]" 1
1435 1 98 ILE MD 1 99 ARG HA . . 5.500 3.281 3.104 3.526 . 0 0 "[ . 1 . 2]" 1
1436 1 98 ILE MD 1 99 ARG HB3 . . 4.900 4.381 4.094 4.477 . 0 0 "[ . 1 . 2]" 1
1437 1 98 ILE MG 1 100 VAL MG2 . . 4.980 4.378 3.986 4.631 . 0 0 "[ . 1 . 2]" 1
1438 1 99 ARG HA 1 100 VAL H . . 3.040 2.167 2.106 2.225 . 0 0 "[ . 1 . 2]" 1
1439 1 99 ARG HA 1 100 VAL MG1 . . 4.850 4.223 4.125 4.300 . 0 0 "[ . 1 . 2]" 1
1440 1 99 ARG HA 1 100 VAL MG2 . . 4.860 3.758 3.648 3.883 . 0 0 "[ . 1 . 2]" 1
1441 1 99 ARG HA 1 99 ARG QD . . 5.100 4.167 4.084 4.261 . 0 0 "[ . 1 . 2]" 1
1442 1 99 ARG HB2 1 100 VAL H . . 4.660 4.169 4.107 4.228 . 0 0 "[ . 1 . 2]" 1
1443 1 99 ARG HB2 1 100 VAL HA . . 4.890 5.021 4.987 5.065 0.175 2 0 "[ . 1 . 2]" 1
1444 1 99 ARG HB2 1 99 ARG QD . . 3.170 2.930 2.389 3.135 . 0 0 "[ . 1 . 2]" 1
1445 1 99 ARG HG2 1 100 VAL H . . 5.040 2.307 2.148 2.478 . 0 0 "[ . 1 . 2]" 1
1446 1 99 ARG HG2 1 100 VAL MG2 . . 5.280 4.289 4.177 4.448 . 0 0 "[ . 1 . 2]" 1
1447 1 99 ARG HG3 1 100 VAL H . . 5.000 3.639 3.502 3.731 . 0 0 "[ . 1 . 2]" 1
1448 1 99 ARG QD 1 100 VAL H . . 5.500 4.040 3.770 4.524 . 0 0 "[ . 1 . 2]" 1
1449 1 100 VAL H 1 100 VAL MG1 . . 4.210 3.377 3.277 3.454 . 0 0 "[ . 1 . 2]" 1
1450 1 100 VAL H 1 100 VAL MG2 . . 3.700 2.417 2.356 2.512 . 0 0 "[ . 1 . 2]" 1
1451 1 100 VAL HA 1 100 VAL MG1 . . 3.350 2.434 2.387 2.494 . 0 0 "[ . 1 . 2]" 1
1452 1 100 VAL HA 1 101 ALA H . . 3.210 2.358 2.264 2.436 . 0 0 "[ . 1 . 2]" 1
1453 1 100 VAL HA 1 101 ALA MB . . 4.040 4.074 4.032 4.106 0.066 15 0 "[ . 1 . 2]" 1
1454 1 100 VAL HB 1 101 ALA H . . 4.000 2.630 2.445 2.764 . 0 0 "[ . 1 . 2]" 1
1455 1 100 VAL HB 1 101 ALA HA . . 4.550 4.286 4.113 4.448 . 0 0 "[ . 1 . 2]" 1
1456 1 100 VAL MG1 1 101 ALA H . . 4.700 3.629 3.564 3.686 . 0 0 "[ . 1 . 2]" 1
1457 1 100 VAL MG2 1 101 ALA H . . 5.500 3.799 3.654 3.901 . 0 0 "[ . 1 . 2]" 1
1458 1 100 VAL MG2 1 101 ALA HA . . 5.400 3.940 3.737 4.092 . 0 0 "[ . 1 . 2]" 1
1459 1 100 VAL MG2 1 101 ALA MB . . 5.500 4.710 4.601 4.803 . 0 0 "[ . 1 . 2]" 1
1460 1 100 VAL MG2 1 102 LEU H . . 5.500 4.736 4.325 5.360 . 0 0 "[ . 1 . 2]" 1
1461 1 100 VAL MG2 1 102 LEU HB3 . . 5.500 4.919 3.756 5.533 0.033 9 0 "[ . 1 . 2]" 1
1462 1 100 VAL MG2 1 102 LEU HG . . 5.500 3.962 2.635 5.510 0.010 18 0 "[ . 1 . 2]" 1
1463 1 100 VAL MG2 1 102 LEU QD . . 5.040 3.265 2.637 4.458 . 0 0 "[ . 1 . 2]" 1
1464 1 101 ALA H 1 101 ALA MB . . 3.600 2.464 2.338 2.560 . 0 0 "[ . 1 . 2]" 1
1465 1 101 ALA H 1 102 LEU H . . 5.460 4.505 4.403 4.610 . 0 0 "[ . 1 . 2]" 1
1466 1 101 ALA HA 1 102 LEU H . . 3.040 2.277 2.034 2.501 . 0 0 "[ . 1 . 2]" 1
1467 1 101 ALA HA 1 102 LEU HB3 . . 4.810 4.774 4.429 4.935 0.125 15 0 "[ . 1 . 2]" 1
1468 1 101 ALA MB 1 102 LEU H . . 3.790 2.818 2.341 3.086 . 0 0 "[ . 1 . 2]" 1
1469 1 102 LEU H 1 102 LEU HB3 . . 3.340 3.073 2.513 3.400 0.060 9 0 "[ . 1 . 2]" 1
1470 1 102 LEU H 1 102 LEU MD1 . . 4.160 3.747 2.299 4.204 0.044 5 0 "[ . 1 . 2]" 1
1471 1 113 ASP HA 1 114 PHE H . . 3.330 2.339 2.077 3.257 . 0 0 "[ . 1 . 2]" 1
1472 1 113 ASP HB2 1 114 PHE H . . 4.550 3.751 2.223 4.487 . 0 0 "[ . 1 . 2]" 1
1473 1 113 ASP HB3 1 114 PHE H . . 4.210 3.789 2.518 4.223 0.013 5 0 "[ . 1 . 2]" 1
1474 1 114 PHE H 1 115 SER H . . 5.500 3.698 1.851 4.669 . 0 0 "[ . 1 . 2]" 1
1475 1 114 PHE HB2 1 115 SER H . . 5.500 3.951 2.622 4.647 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 89
_Distance_constraint_stats_list.Viol_total 143.408
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0540
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0398
_Distance_constraint_stats_list.Viol_average_violations_only 0.0806
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 25 THR 2.489 0.240 10 0 "[ . 1 . 2]"
1 27 LEU 0.893 0.094 6 0 "[ . 1 . 2]"
1 69 GLU 1.589 0.184 18 0 "[ . 1 . 2]"
1 72 MET 2.087 0.172 5 0 "[ . 1 . 2]"
1 73 LEU 0.112 0.054 4 0 "[ . 1 . 2]"
2 1 FES 7.170 0.240 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 27 LEU CA 2 1 FES FE2 . . 7.050 7.000 6.322 7.144 0.094 6 0 "[ . 1 . 2]" 2
2 1 72 MET CA 2 1 FES FE1 . . 7.750 7.625 7.248 7.875 0.125 7 0 "[ . 1 . 2]" 2
3 1 72 MET CA 2 1 FES FE2 . . 7.050 7.124 6.882 7.222 0.172 5 0 "[ . 1 . 2]" 2
4 1 69 GLU CA 2 1 FES FE1 . . 7.900 7.956 7.632 8.084 0.184 18 0 "[ . 1 . 2]" 2
5 1 69 GLU CA 2 1 FES FE2 . . 7.900 6.943 6.234 7.981 0.081 16 0 "[ . 1 . 2]" 2
6 1 25 THR CA 2 1 FES FE1 . . 10.250 10.366 10.271 10.490 0.240 10 0 "[ . 1 . 2]" 2
7 1 25 THR CA 2 1 FES FE2 . . 9.550 9.218 8.780 9.664 0.114 16 0 "[ . 1 . 2]" 2
8 1 73 LEU CA 2 1 FES FE1 . . 9.950 9.581 8.874 10.004 0.054 4 0 "[ . 1 . 2]" 2
9 1 73 LEU CA 2 1 FES FE2 . . 9.950 8.325 7.513 8.878 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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