NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401197 |
1veh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1veh
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 904
_Distance_constraint_stats_list.Viol_count 1360
_Distance_constraint_stats_list.Viol_total 1945.109
_Distance_constraint_stats_list.Viol_max 0.771
_Distance_constraint_stats_list.Viol_rms 0.0334
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0715
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.196 0.132 6 0 "[ . 1 . 2]"
1 10 GLU 1.388 0.132 6 0 "[ . 1 . 2]"
1 11 ASP 2.418 0.316 16 0 "[ . 1 . 2]"
1 12 ASP 1.223 0.453 10 0 "[ . 1 . 2]"
1 13 GLU 1.844 0.489 6 0 "[ . 1 . 2]"
1 14 VAL 4.555 0.489 6 0 "[ . 1 . 2]"
1 15 VAL 2.196 0.453 10 0 "[ . 1 . 2]"
1 16 ALA 0.178 0.051 13 0 "[ . 1 . 2]"
1 17 MET 0.379 0.035 14 0 "[ . 1 . 2]"
1 18 ILE 2.569 0.595 16 1 "[ . 1 .+ 2]"
1 19 LYS 3.566 0.490 12 0 "[ . 1 . 2]"
1 20 GLU 5.158 0.516 6 3 "[ -+ 1 * . 2]"
1 21 LEU 3.463 0.261 12 0 "[ . 1 . 2]"
1 22 LEU 0.735 0.100 6 0 "[ . 1 . 2]"
1 23 ASP 1.885 0.128 19 0 "[ . 1 . 2]"
1 24 THR 5.116 0.516 6 3 "[ -+ 1 * . 2]"
1 25 ARG 2.956 0.404 15 0 "[ . 1 . 2]"
1 26 ILE 0.401 0.036 4 0 "[ . 1 . 2]"
1 27 ARG 4.364 0.275 14 0 "[ . 1 . 2]"
1 28 PRO 2.893 0.275 14 0 "[ . 1 . 2]"
1 29 THR 0.436 0.049 10 0 "[ . 1 . 2]"
1 30 VAL 2.273 0.340 17 0 "[ . 1 . 2]"
1 31 GLN 0.713 0.304 10 0 "[ . 1 . 2]"
1 32 GLU 1.401 0.483 7 0 "[ . 1 . 2]"
1 33 ASP 1.410 0.340 17 0 "[ . 1 . 2]"
1 34 GLY 0.011 0.007 17 0 "[ . 1 . 2]"
1 35 GLY 0.035 0.013 2 0 "[ . 1 . 2]"
1 36 ASP 2.136 0.682 19 2 "[ . 1 - . +2]"
1 37 VAL 0.429 0.078 8 0 "[ . 1 . 2]"
1 38 ILE 4.421 0.197 18 0 "[ . 1 . 2]"
1 39 TYR 5.180 0.114 15 0 "[ . 1 . 2]"
1 40 ARG 3.095 0.120 1 0 "[ . 1 . 2]"
1 41 GLY 5.438 0.120 1 0 "[ . 1 . 2]"
1 42 PHE 0.377 0.066 12 0 "[ . 1 . 2]"
1 43 GLU 0.726 0.058 12 0 "[ . 1 . 2]"
1 44 ASP 0.006 0.004 16 0 "[ . 1 . 2]"
1 45 GLY 3.320 0.626 5 1 "[ + 1 . 2]"
1 46 ILE 7.402 0.303 17 0 "[ . 1 . 2]"
1 47 VAL 2.707 0.230 16 0 "[ . 1 . 2]"
1 48 ARG 0.688 0.186 8 0 "[ . 1 . 2]"
1 49 LEU 1.254 0.211 18 0 "[ . 1 . 2]"
1 50 LYS 3.760 0.168 19 0 "[ . 1 . 2]"
1 51 LEU 4.809 0.168 19 0 "[ . 1 . 2]"
1 52 GLN 3.210 0.682 19 2 "[ . 1 - . +2]"
1 53 GLY 1.818 0.500 17 1 "[ . 1 . + 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 CYS 1.851 0.500 17 1 "[ . 1 . + 2]"
1 56 THR 1.276 0.105 17 0 "[ . 1 . 2]"
1 57 SER 0.398 0.105 17 0 "[ . 1 . 2]"
1 58 CYS 1.718 0.277 10 0 "[ . 1 . 2]"
1 59 PRO 1.703 0.277 10 0 "[ . 1 . 2]"
1 60 SER 0.005 0.005 8 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 1.584 0.088 9 0 "[ . 1 . 2]"
1 63 ILE 0.183 0.065 4 0 "[ . 1 . 2]"
1 64 THR 2.850 0.096 2 0 "[ . 1 . 2]"
1 65 LEU 4.750 0.771 15 5 "[* - . * 1 + *2]"
1 66 LYS 4.464 0.326 20 0 "[ . 1 . 2]"
1 67 SER 0.592 0.192 10 0 "[ . 1 . 2]"
1 68 GLY 0.148 0.034 16 0 "[ . 1 . 2]"
1 69 ILE 0.807 0.313 5 0 "[ . 1 . 2]"
1 70 GLN 0.160 0.120 10 0 "[ . 1 . 2]"
1 71 ASN 0.037 0.021 9 0 "[ . 1 . 2]"
1 72 MET 0.403 0.167 17 0 "[ . 1 . 2]"
1 73 LEU 0.440 0.167 17 0 "[ . 1 . 2]"
1 74 GLN 4.733 0.421 11 0 "[ . 1 . 2]"
1 75 PHE 0.208 0.063 17 0 "[ . 1 . 2]"
1 76 TYR 0.784 0.164 20 0 "[ . 1 . 2]"
1 77 ILE 3.673 0.595 16 1 "[ . 1 .+ 2]"
1 78 PRO 0.064 0.030 9 0 "[ . 1 . 2]"
1 79 GLU 3.825 0.163 10 0 "[ . 1 . 2]"
1 80 VAL 0.033 0.033 12 0 "[ . 1 . 2]"
1 81 GLU 0.898 0.626 5 1 "[ + 1 . 2]"
1 82 GLY 0.034 0.016 1 0 "[ . 1 . 2]"
1 83 VAL 0.981 0.120 10 0 "[ . 1 . 2]"
1 84 GLU 6.717 0.303 17 0 "[ . 1 . 2]"
1 85 GLN 1.314 0.126 9 0 "[ . 1 . 2]"
1 86 VAL 0.649 0.073 18 0 "[ . 1 . 2]"
1 89 PRO 0.206 0.119 10 0 "[ . 1 . 2]"
1 90 SER 0.206 0.119 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 8 SER H 1 8 SER QB . . 3.410 2.424 2.269 2.945 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER H 1 9 GLU H . . 4.540 3.293 2.405 4.533 . 0 0 "[ . 1 . 2]" 1
3 1 8 SER HA 1 8 SER QB . . 2.600 2.387 2.191 2.461 . 0 0 "[ . 1 . 2]" 1
4 1 8 SER QB 1 9 GLU H . . 3.700 2.486 2.138 3.520 . 0 0 "[ . 1 . 2]" 1
5 1 8 SER QB 1 9 GLU HB2 . . 3.950 3.482 3.208 3.864 . 0 0 "[ . 1 . 2]" 1
6 1 9 GLU H 1 9 GLU HB2 . . 3.860 2.899 2.096 3.344 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLU H 1 9 GLU QG . . 4.470 3.865 3.004 4.353 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLU H 1 10 GLU H . . 4.050 3.676 2.895 4.182 0.132 6 0 "[ . 1 . 2]" 1
9 1 9 GLU HA 1 9 GLU QG . . 3.370 2.094 1.970 2.218 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLU HA 1 10 GLU H . . 3.140 2.425 2.204 3.094 . 0 0 "[ . 1 . 2]" 1
11 1 10 GLU H 1 10 GLU HB2 . . 3.580 2.669 2.026 3.611 0.031 15 0 "[ . 1 . 2]" 1
12 1 10 GLU H 1 10 GLU HB3 . . 3.650 3.434 2.636 3.667 0.017 13 0 "[ . 1 . 2]" 1
13 1 10 GLU H 1 10 GLU QG . . 4.030 3.646 2.162 4.046 0.016 13 0 "[ . 1 . 2]" 1
14 1 10 GLU HA 1 10 GLU QG . . 3.260 2.167 1.975 3.330 0.070 15 0 "[ . 1 . 2]" 1
15 1 10 GLU HA 1 11 ASP H . . 2.980 2.354 2.217 2.547 . 0 0 "[ . 1 . 2]" 1
16 1 10 GLU HB2 1 11 ASP H . . 4.630 4.431 2.932 4.749 0.119 16 0 "[ . 1 . 2]" 1
17 1 11 ASP H 1 11 ASP HB2 . . 3.500 3.199 2.284 3.520 0.020 14 0 "[ . 1 . 2]" 1
18 1 11 ASP H 1 11 ASP HB3 . . 3.380 3.137 2.855 3.546 0.166 13 0 "[ . 1 . 2]" 1
19 1 11 ASP HA 1 12 ASP H . . 3.580 2.428 2.286 2.606 . 0 0 "[ . 1 . 2]" 1
20 1 11 ASP HB2 1 15 VAL HB . . 4.100 3.207 2.398 4.416 0.316 16 0 "[ . 1 . 2]" 1
21 1 11 ASP HB2 1 16 ALA H . . 5.080 4.069 3.529 5.131 0.051 13 0 "[ . 1 . 2]" 1
22 1 11 ASP HB3 1 12 ASP H . . 4.810 3.394 2.446 4.047 . 0 0 "[ . 1 . 2]" 1
23 1 11 ASP HB3 1 15 VAL MG1 . . 3.820 2.455 2.008 3.141 . 0 0 "[ . 1 . 2]" 1
24 1 11 ASP HB3 1 16 ALA H . . 5.140 4.658 3.376 5.144 0.004 5 0 "[ . 1 . 2]" 1
25 1 12 ASP H 1 12 ASP HB2 . . 3.570 2.370 2.171 2.679 . 0 0 "[ . 1 . 2]" 1
26 1 12 ASP H 1 12 ASP HB3 . . 3.580 3.137 2.659 3.576 . 0 0 "[ . 1 . 2]" 1
27 1 12 ASP H 1 13 GLU H . . 4.500 4.394 4.228 4.493 . 0 0 "[ . 1 . 2]" 1
28 1 12 ASP H 1 14 VAL H . . 4.490 4.342 4.107 4.453 . 0 0 "[ . 1 . 2]" 1
29 1 12 ASP H 1 15 VAL HB . . 4.880 2.084 1.951 2.337 . 0 0 "[ . 1 . 2]" 1
30 1 12 ASP H 1 15 VAL MG2 . . 5.320 2.343 2.049 3.021 . 0 0 "[ . 1 . 2]" 1
31 1 12 ASP HA 1 13 GLU H . . 3.450 2.789 2.648 2.998 . 0 0 "[ . 1 . 2]" 1
32 1 12 ASP HA 1 14 VAL H . . 4.920 4.360 4.105 4.554 . 0 0 "[ . 1 . 2]" 1
33 1 12 ASP HA 1 15 VAL H . . 5.110 4.680 4.452 4.824 . 0 0 "[ . 1 . 2]" 1
34 1 12 ASP HB2 1 13 GLU H . . 3.820 3.636 3.445 3.830 0.010 10 0 "[ . 1 . 2]" 1
35 1 12 ASP HB2 1 15 VAL H . . 5.150 3.448 2.907 4.083 . 0 0 "[ . 1 . 2]" 1
36 1 12 ASP HB2 1 15 VAL HB . . 4.040 3.868 3.448 4.493 0.453 10 0 "[ . 1 . 2]" 1
37 1 12 ASP HB3 1 13 GLU H . . 3.900 2.282 1.952 3.139 . 0 0 "[ . 1 . 2]" 1
38 1 12 ASP HB3 1 14 VAL H . . 5.230 2.120 1.958 2.251 . 0 0 "[ . 1 . 2]" 1
39 1 13 GLU H 1 13 GLU QB . . 3.080 2.269 2.143 2.364 . 0 0 "[ . 1 . 2]" 1
40 1 13 GLU H 1 13 GLU HG2 . . 4.020 3.444 2.605 3.980 . 0 0 "[ . 1 . 2]" 1
41 1 13 GLU H 1 13 GLU HG3 . . 3.740 2.825 2.310 3.790 0.050 6 0 "[ . 1 . 2]" 1
42 1 13 GLU H 1 14 VAL H . . 3.810 2.470 2.272 2.625 . 0 0 "[ . 1 . 2]" 1
43 1 13 GLU H 1 14 VAL MG1 . . 5.010 3.868 3.717 4.142 . 0 0 "[ . 1 . 2]" 1
44 1 13 GLU H 1 15 VAL H . . 5.150 4.138 3.933 4.408 . 0 0 "[ . 1 . 2]" 1
45 1 13 GLU HA 1 13 GLU HG3 . . 3.560 3.053 2.424 3.676 0.116 6 0 "[ . 1 . 2]" 1
46 1 13 GLU HA 1 16 ALA H . . 3.700 3.594 3.353 3.712 0.012 5 0 "[ . 1 . 2]" 1
47 1 13 GLU HA 1 16 ALA MB . . 3.140 2.781 2.350 3.146 0.006 12 0 "[ . 1 . 2]" 1
48 1 13 GLU HA 1 17 MET H . . 5.060 4.455 4.092 4.754 . 0 0 "[ . 1 . 2]" 1
49 1 13 GLU QB 1 13 GLU HG3 . . 2.730 2.341 2.180 2.555 . 0 0 "[ . 1 . 2]" 1
50 1 13 GLU QB 1 14 VAL H . . 3.270 3.032 2.912 3.158 . 0 0 "[ . 1 . 2]" 1
51 1 13 GLU HG3 1 14 VAL H . . 4.890 4.831 4.537 5.379 0.489 6 0 "[ . 1 . 2]" 1
52 1 14 VAL H 1 14 VAL HB . . 3.120 2.421 2.296 2.468 . 0 0 "[ . 1 . 2]" 1
53 1 14 VAL H 1 14 VAL MG1 . . 3.140 2.078 1.952 2.233 . 0 0 "[ . 1 . 2]" 1
54 1 14 VAL H 1 14 VAL MG2 . . 4.030 3.717 3.681 3.739 . 0 0 "[ . 1 . 2]" 1
55 1 14 VAL H 1 15 VAL H . . 3.410 2.451 2.289 2.558 . 0 0 "[ . 1 . 2]" 1
56 1 14 VAL H 1 15 VAL HA . . 5.110 5.032 4.906 5.121 0.011 3 0 "[ . 1 . 2]" 1
57 1 14 VAL H 1 15 VAL MG2 . . 4.960 4.183 3.805 4.450 . 0 0 "[ . 1 . 2]" 1
58 1 14 VAL HA 1 14 VAL MG1 . . 3.080 3.211 3.202 3.219 0.139 14 0 "[ . 1 . 2]" 1
59 1 14 VAL HA 1 14 VAL MG2 . . 3.320 2.258 2.152 2.353 . 0 0 "[ . 1 . 2]" 1
60 1 14 VAL HA 1 17 MET H . . 3.820 3.420 3.210 3.650 . 0 0 "[ . 1 . 2]" 1
61 1 14 VAL HA 1 17 MET ME . . 4.010 2.393 1.868 3.486 . 0 0 "[ . 1 . 2]" 1
62 1 14 VAL HB 1 15 VAL H . . 3.870 3.869 3.778 3.953 0.083 15 0 "[ . 1 . 2]" 1
63 1 14 VAL MG1 1 15 VAL H . . 4.610 1.917 1.884 1.985 . 0 0 "[ . 1 . 2]" 1
64 1 14 VAL MG1 1 15 VAL HB . . 3.670 3.559 3.358 3.673 0.003 13 0 "[ . 1 . 2]" 1
65 1 14 VAL MG1 1 15 VAL MG2 . . 2.950 2.417 2.088 2.653 . 0 0 "[ . 1 . 2]" 1
66 1 14 VAL MG1 1 17 MET H . . 4.980 4.695 4.529 4.835 . 0 0 "[ . 1 . 2]" 1
67 1 14 VAL MG2 1 15 VAL H . . 4.030 3.864 3.680 3.999 . 0 0 "[ . 1 . 2]" 1
68 1 14 VAL MG2 1 15 VAL HA . . 4.120 4.049 3.823 4.159 0.039 15 0 "[ . 1 . 2]" 1
69 1 14 VAL MG2 1 18 ILE MD . . 3.360 2.218 1.950 2.534 . 0 0 "[ . 1 . 2]" 1
70 1 14 VAL MG2 1 18 ILE HG13 . . 4.170 3.463 3.100 4.123 . 0 0 "[ . 1 . 2]" 1
71 1 14 VAL MG2 1 42 PHE QE . . 3.790 3.300 2.100 3.796 0.006 1 0 "[ . 1 . 2]" 1
72 1 14 VAL MG2 1 42 PHE HZ . . 4.040 3.298 2.908 3.774 . 0 0 "[ . 1 . 2]" 1
73 1 15 VAL H 1 15 VAL HB . . 3.340 2.230 2.122 2.352 . 0 0 "[ . 1 . 2]" 1
74 1 15 VAL H 1 15 VAL MG1 . . 4.800 3.650 3.589 3.691 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL H 1 15 VAL MG2 . . 3.140 2.452 2.256 2.621 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL H 1 16 ALA H . . 3.760 2.797 2.578 2.984 . 0 0 "[ . 1 . 2]" 1
77 1 15 VAL H 1 16 ALA MB . . 5.410 4.261 4.088 4.431 . 0 0 "[ . 1 . 2]" 1
78 1 15 VAL H 1 18 ILE MD . . 4.300 4.091 3.754 4.301 0.001 17 0 "[ . 1 . 2]" 1
79 1 15 VAL HA 1 15 VAL MG1 . . 3.070 2.539 2.464 2.619 . 0 0 "[ . 1 . 2]" 1
80 1 15 VAL HA 1 15 VAL MG2 . . 3.210 2.157 2.069 2.335 . 0 0 "[ . 1 . 2]" 1
81 1 15 VAL HA 1 17 MET H . . 5.170 3.926 3.632 4.190 . 0 0 "[ . 1 . 2]" 1
82 1 15 VAL HA 1 18 ILE H . . 3.800 3.344 3.104 3.632 . 0 0 "[ . 1 . 2]" 1
83 1 15 VAL HA 1 18 ILE HB . . 3.200 2.899 2.501 3.195 . 0 0 "[ . 1 . 2]" 1
84 1 15 VAL HA 1 18 ILE MD . . 3.240 2.502 2.119 2.825 . 0 0 "[ . 1 . 2]" 1
85 1 15 VAL HB 1 16 ALA H . . 3.360 2.504 2.344 2.678 . 0 0 "[ . 1 . 2]" 1
86 1 15 VAL MG1 1 16 ALA H . . 3.820 2.980 2.659 3.444 . 0 0 "[ . 1 . 2]" 1
87 1 15 VAL MG1 1 19 LYS HE2 . . 4.350 3.824 3.258 4.351 0.001 2 0 "[ . 1 . 2]" 1
88 1 15 VAL MG1 1 19 LYS HE3 . . 3.530 2.648 2.014 3.262 . 0 0 "[ . 1 . 2]" 1
89 1 15 VAL MG2 1 16 ALA H . . 3.980 3.959 3.843 4.017 0.037 14 0 "[ . 1 . 2]" 1
90 1 15 VAL MG2 1 18 ILE MD . . 3.900 3.305 3.040 3.572 . 0 0 "[ . 1 . 2]" 1
91 1 15 VAL MG2 1 42 PHE H . . 5.340 5.055 4.672 5.310 . 0 0 "[ . 1 . 2]" 1
92 1 15 VAL MG2 1 42 PHE HB2 . . 3.940 3.573 3.277 3.951 0.011 9 0 "[ . 1 . 2]" 1
93 1 15 VAL MG2 1 42 PHE HB3 . . 3.670 3.370 2.948 3.677 0.007 8 0 "[ . 1 . 2]" 1
94 1 15 VAL MG2 1 42 PHE QD . . 3.750 3.687 3.321 3.768 0.018 14 0 "[ . 1 . 2]" 1
95 1 16 ALA H 1 16 ALA MB . . 2.960 2.060 1.933 2.160 . 0 0 "[ . 1 . 2]" 1
96 1 16 ALA H 1 17 MET H . . 3.660 2.780 2.622 2.898 . 0 0 "[ . 1 . 2]" 1
97 1 16 ALA H 1 17 MET HB2 . . 5.140 4.564 4.347 4.733 . 0 0 "[ . 1 . 2]" 1
98 1 16 ALA HA 1 19 LYS H . . 4.050 3.744 3.495 3.984 . 0 0 "[ . 1 . 2]" 1
99 1 16 ALA HA 1 19 LYS HB2 . . 3.770 2.488 2.275 2.660 . 0 0 "[ . 1 . 2]" 1
100 1 16 ALA HA 1 19 LYS HB3 . . 4.190 3.823 3.608 4.068 . 0 0 "[ . 1 . 2]" 1
101 1 16 ALA HA 1 20 GLU H . . 4.710 4.337 4.052 4.659 . 0 0 "[ . 1 . 2]" 1
102 1 16 ALA MB 1 17 MET H . . 3.450 2.864 2.767 3.039 . 0 0 "[ . 1 . 2]" 1
103 1 17 MET H 1 17 MET HB2 . . 3.600 2.023 1.988 2.077 . 0 0 "[ . 1 . 2]" 1
104 1 17 MET H 1 17 MET HB3 . . 3.670 3.018 2.915 3.101 . 0 0 "[ . 1 . 2]" 1
105 1 17 MET H 1 17 MET HG2 . . 4.900 4.485 4.389 4.577 . 0 0 "[ . 1 . 2]" 1
106 1 17 MET H 1 17 MET HG3 . . 3.920 3.889 3.725 3.946 0.026 14 0 "[ . 1 . 2]" 1
107 1 17 MET H 1 18 ILE H . . 3.750 2.761 2.618 2.891 . 0 0 "[ . 1 . 2]" 1
108 1 17 MET H 1 18 ILE HB . . 4.840 4.690 4.498 4.852 0.012 14 0 "[ . 1 . 2]" 1
109 1 17 MET H 1 77 ILE MD . . 4.900 4.515 4.194 4.808 . 0 0 "[ . 1 . 2]" 1
110 1 17 MET HA 1 17 MET HB3 . . 3.000 2.975 2.943 3.015 0.015 14 0 "[ . 1 . 2]" 1
111 1 17 MET HA 1 17 MET HG2 . . 3.360 2.836 2.505 3.240 . 0 0 "[ . 1 . 2]" 1
112 1 17 MET HA 1 17 MET HG3 . . 4.060 2.268 2.007 2.506 . 0 0 "[ . 1 . 2]" 1
113 1 17 MET HA 1 20 GLU H . . 3.770 3.650 3.491 3.769 . 0 0 "[ . 1 . 2]" 1
114 1 17 MET HA 1 21 LEU H . . 4.780 4.487 4.162 4.735 . 0 0 "[ . 1 . 2]" 1
115 1 17 MET HB2 1 18 ILE H . . 4.430 3.105 2.955 3.338 . 0 0 "[ . 1 . 2]" 1
116 1 17 MET HB3 1 18 ILE H . . 4.050 2.327 2.136 2.426 . 0 0 "[ . 1 . 2]" 1
117 1 17 MET HB3 1 19 LYS H . . 4.990 4.880 4.718 4.998 0.008 14 0 "[ . 1 . 2]" 1
118 1 17 MET HB3 1 77 ILE MD . . 3.010 1.946 1.784 2.102 . 0 0 "[ . 1 . 2]" 1
119 1 17 MET HB3 1 77 ILE MG . . 3.350 3.362 3.332 3.385 0.035 14 0 "[ . 1 . 2]" 1
120 1 17 MET ME 1 77 ILE MD . . 3.610 2.723 1.768 3.614 0.004 14 0 "[ . 1 . 2]" 1
121 1 17 MET ME 1 77 ILE MG . . 3.660 3.180 1.886 3.646 . 0 0 "[ . 1 . 2]" 1
122 1 17 MET HG2 1 77 ILE MD . . 3.550 2.188 1.835 2.626 . 0 0 "[ . 1 . 2]" 1
123 1 17 MET HG3 1 77 ILE MD . . 3.680 3.522 3.265 3.686 0.006 14 0 "[ . 1 . 2]" 1
124 1 18 ILE H 1 18 ILE HB . . 3.350 2.349 2.273 2.443 . 0 0 "[ . 1 . 2]" 1
125 1 18 ILE H 1 18 ILE MD . . 4.100 2.763 2.504 3.142 . 0 0 "[ . 1 . 2]" 1
126 1 18 ILE H 1 18 ILE HG12 . . 4.180 3.728 3.497 3.901 . 0 0 "[ . 1 . 2]" 1
127 1 18 ILE H 1 18 ILE HG13 . . 3.720 2.326 2.007 2.619 . 0 0 "[ . 1 . 2]" 1
128 1 18 ILE H 1 18 ILE MG . . 3.990 3.689 3.668 3.706 . 0 0 "[ . 1 . 2]" 1
129 1 18 ILE H 1 19 LYS H . . 3.640 2.817 2.704 2.975 . 0 0 "[ . 1 . 2]" 1
130 1 18 ILE H 1 19 LYS HB2 . . 5.080 4.621 4.439 4.893 . 0 0 "[ . 1 . 2]" 1
131 1 18 ILE H 1 77 ILE MD . . 4.010 3.354 2.836 3.893 . 0 0 "[ . 1 . 2]" 1
132 1 18 ILE H 1 77 ILE MG . . 4.560 4.273 3.903 4.510 . 0 0 "[ . 1 . 2]" 1
133 1 18 ILE HA 1 18 ILE HG12 . . 3.460 2.899 2.741 3.008 . 0 0 "[ . 1 . 2]" 1
134 1 18 ILE HA 1 18 ILE HG13 . . 3.290 2.459 2.243 2.716 . 0 0 "[ . 1 . 2]" 1
135 1 18 ILE HA 1 18 ILE MG . . 2.890 2.501 2.370 2.578 . 0 0 "[ . 1 . 2]" 1
136 1 18 ILE HA 1 21 LEU H . . 5.160 3.307 2.973 3.626 . 0 0 "[ . 1 . 2]" 1
137 1 18 ILE HA 1 21 LEU HB2 . . 4.100 2.651 2.170 3.106 . 0 0 "[ . 1 . 2]" 1
138 1 18 ILE HA 1 21 LEU HB3 . . 4.290 3.367 2.950 3.880 . 0 0 "[ . 1 . 2]" 1
139 1 18 ILE HA 1 73 LEU QD . . 3.610 3.181 2.659 3.568 . 0 0 "[ . 1 . 2]" 1
140 1 18 ILE HB 1 18 ILE MD . . 3.540 2.109 1.980 2.165 . 0 0 "[ . 1 . 2]" 1
141 1 18 ILE HB 1 19 LYS H . . 3.550 2.648 2.525 2.849 . 0 0 "[ . 1 . 2]" 1
142 1 18 ILE HB 1 39 TYR QE . . 4.260 3.240 2.711 3.562 . 0 0 "[ . 1 . 2]" 1
143 1 18 ILE MD 1 18 ILE MG . . 2.640 2.508 2.351 2.651 0.011 15 0 "[ . 1 . 2]" 1
144 1 18 ILE MD 1 19 LYS H . . 4.320 4.182 3.978 4.318 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE MD 1 39 TYR QE . . 3.900 3.664 3.275 3.917 0.017 10 0 "[ . 1 . 2]" 1
146 1 18 ILE MD 1 42 PHE HB2 . . 4.120 4.021 3.754 4.138 0.018 19 0 "[ . 1 . 2]" 1
147 1 18 ILE MD 1 42 PHE QD . . 3.990 2.696 2.270 3.447 . 0 0 "[ . 1 . 2]" 1
148 1 18 ILE MD 1 42 PHE QE . . 4.290 2.188 1.786 3.025 . 0 0 "[ . 1 . 2]" 1
149 1 18 ILE MD 1 47 VAL QG . . 3.040 2.465 2.180 2.908 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE MD 1 77 ILE MG . . 4.240 2.866 2.472 3.308 . 0 0 "[ . 1 . 2]" 1
151 1 18 ILE HG12 1 18 ILE MG . . 3.350 2.182 2.009 2.291 . 0 0 "[ . 1 . 2]" 1
152 1 18 ILE HG12 1 77 ILE MG . . 4.030 3.389 2.778 4.008 . 0 0 "[ . 1 . 2]" 1
153 1 18 ILE HG13 1 77 ILE HB . . 3.710 3.818 3.639 4.305 0.595 16 1 "[ . 1 .+ 2]" 1
154 1 18 ILE HG13 1 77 ILE MD . . 3.250 2.631 1.788 3.269 0.019 12 0 "[ . 1 . 2]" 1
155 1 18 ILE HG13 1 77 ILE MG . . 3.540 2.810 2.264 3.259 . 0 0 "[ . 1 . 2]" 1
156 1 18 ILE MG 1 19 LYS H . . 3.800 3.248 2.899 3.446 . 0 0 "[ . 1 . 2]" 1
157 1 18 ILE MG 1 19 LYS HA . . 4.080 3.356 3.064 3.571 . 0 0 "[ . 1 . 2]" 1
158 1 18 ILE MG 1 20 GLU H . . 5.120 4.931 4.692 5.113 . 0 0 "[ . 1 . 2]" 1
159 1 18 ILE MG 1 22 LEU HB2 . . 4.190 3.561 3.179 3.936 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE MG 1 22 LEU MD2 . . 3.890 2.081 1.746 2.440 . 0 0 "[ . 1 . 2]" 1
161 1 18 ILE MG 1 39 TYR QD . . 3.340 2.985 2.643 3.299 . 0 0 "[ . 1 . 2]" 1
162 1 18 ILE MG 1 39 TYR QE . . 3.560 3.508 3.322 3.577 0.017 9 0 "[ . 1 . 2]" 1
163 1 18 ILE MG 1 47 VAL QG . . 3.410 2.122 1.836 2.314 . 0 0 "[ . 1 . 2]" 1
164 1 19 LYS H 1 19 LYS HB2 . . 3.730 2.216 2.043 2.545 . 0 0 "[ . 1 . 2]" 1
165 1 19 LYS H 1 19 LYS HB3 . . 3.790 3.465 3.322 3.557 . 0 0 "[ . 1 . 2]" 1
166 1 19 LYS H 1 19 LYS HD2 . . 4.750 4.452 3.616 5.094 0.344 18 0 "[ . 1 . 2]" 1
167 1 19 LYS H 1 19 LYS HG2 . . 3.700 3.486 2.541 4.190 0.490 12 0 "[ . 1 . 2]" 1
168 1 19 LYS H 1 19 LYS HG3 . . 4.210 2.856 2.020 3.454 . 0 0 "[ . 1 . 2]" 1
169 1 19 LYS HA 1 19 LYS HD3 . . 4.780 3.926 2.581 4.496 . 0 0 "[ . 1 . 2]" 1
170 1 19 LYS HA 1 19 LYS HG2 . . 3.390 2.236 2.021 2.621 . 0 0 "[ . 1 . 2]" 1
171 1 19 LYS HA 1 19 LYS HG3 . . 3.500 2.916 2.247 3.502 0.002 18 0 "[ . 1 . 2]" 1
172 1 19 LYS HA 1 22 LEU HB2 . . 3.070 2.436 2.120 2.850 . 0 0 "[ . 1 . 2]" 1
173 1 19 LYS HA 1 22 LEU HG . . 3.610 3.365 3.140 3.553 . 0 0 "[ . 1 . 2]" 1
174 1 19 LYS HA 1 23 ASP H . . 5.230 4.304 3.839 5.084 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS HB2 1 19 LYS HD2 . . 3.810 2.839 2.284 3.534 . 0 0 "[ . 1 . 2]" 1
176 1 19 LYS HB2 1 20 GLU H . . 4.060 2.810 2.485 3.102 . 0 0 "[ . 1 . 2]" 1
177 1 19 LYS HB3 1 19 LYS HD2 . . 3.630 2.861 2.412 3.333 . 0 0 "[ . 1 . 2]" 1
178 1 19 LYS HB3 1 20 GLU H . . 4.210 3.185 2.700 3.579 . 0 0 "[ . 1 . 2]" 1
179 1 19 LYS HE2 1 19 LYS HG2 . . 3.920 2.557 2.142 3.397 . 0 0 "[ . 1 . 2]" 1
180 1 19 LYS HE2 1 19 LYS HG3 . . 4.120 3.050 2.464 3.597 . 0 0 "[ . 1 . 2]" 1
181 1 19 LYS HE2 1 39 TYR QD . . 4.100 3.575 2.303 4.128 0.028 17 0 "[ . 1 . 2]" 1
182 1 19 LYS HE3 1 19 LYS HG2 . . 3.810 3.086 2.483 3.611 . 0 0 "[ . 1 . 2]" 1
183 1 19 LYS HE3 1 39 TYR QD . . 4.290 3.870 3.406 4.295 0.005 8 0 "[ . 1 . 2]" 1
184 1 19 LYS HG2 1 20 GLU H . . 4.980 4.938 4.689 5.056 0.076 15 0 "[ . 1 . 2]" 1
185 1 20 GLU H 1 20 GLU HB2 . . 3.260 2.056 2.021 2.106 . 0 0 "[ . 1 . 2]" 1
186 1 20 GLU H 1 20 GLU HB3 . . 3.460 3.111 2.951 3.340 . 0 0 "[ . 1 . 2]" 1
187 1 20 GLU H 1 20 GLU HG2 . . 4.150 4.126 3.651 4.246 0.096 12 0 "[ . 1 . 2]" 1
188 1 20 GLU H 1 20 GLU HG3 . . 4.110 3.973 3.222 4.176 0.066 10 0 "[ . 1 . 2]" 1
189 1 20 GLU H 1 21 LEU H . . 3.840 2.896 2.666 3.110 . 0 0 "[ . 1 . 2]" 1
190 1 20 GLU HA 1 20 GLU HB3 . . 2.940 2.939 2.827 3.001 0.061 15 0 "[ . 1 . 2]" 1
191 1 20 GLU HA 1 20 GLU HG2 . . 3.470 2.402 2.006 3.539 0.069 5 0 "[ . 1 . 2]" 1
192 1 20 GLU HA 1 20 GLU HG3 . . 3.530 2.867 2.255 3.385 . 0 0 "[ . 1 . 2]" 1
193 1 20 GLU HA 1 23 ASP H . . 3.610 2.996 2.789 3.300 . 0 0 "[ . 1 . 2]" 1
194 1 20 GLU HA 1 23 ASP HB2 . . 3.660 2.396 2.158 2.644 . 0 0 "[ . 1 . 2]" 1
195 1 20 GLU HA 1 23 ASP HB3 . . 4.380 3.607 3.117 3.846 . 0 0 "[ . 1 . 2]" 1
196 1 20 GLU HB2 1 21 LEU H . . 3.440 3.154 2.736 3.421 . 0 0 "[ . 1 . 2]" 1
197 1 20 GLU HB3 1 21 LEU H . . 3.530 2.483 2.115 2.811 . 0 0 "[ . 1 . 2]" 1
198 1 20 GLU HB3 1 21 LEU HA . . 3.810 3.791 3.712 3.869 0.059 9 0 "[ . 1 . 2]" 1
199 1 20 GLU HB3 1 24 THR MG . . 3.910 3.032 2.660 3.304 . 0 0 "[ . 1 . 2]" 1
200 1 20 GLU HG2 1 21 LEU H . . 4.790 4.689 4.421 5.051 0.261 12 0 "[ . 1 . 2]" 1
201 1 20 GLU HG2 1 24 THR MG . . 3.750 3.297 2.759 4.266 0.516 6 3 "[ -+ 1 * . 2]" 1
202 1 20 GLU HG3 1 24 THR MG . . 4.190 4.083 3.383 4.249 0.059 10 0 "[ . 1 . 2]" 1
203 1 21 LEU H 1 21 LEU HB2 . . 3.370 1.987 1.977 2.036 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU H 1 21 LEU HB3 . . 3.760 3.170 3.094 3.335 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU H 1 21 LEU MD1 . . 4.270 4.017 3.875 4.105 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU H 1 21 LEU MD2 . . 4.090 4.072 3.894 4.118 0.028 4 0 "[ . 1 . 2]" 1
207 1 21 LEU H 1 21 LEU HG . . 3.740 3.562 3.219 3.703 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU H 1 22 LEU H . . 3.670 2.747 2.639 2.887 . 0 0 "[ . 1 . 2]" 1
209 1 21 LEU H 1 24 THR H . . 4.370 4.493 4.402 4.559 0.189 13 0 "[ . 1 . 2]" 1
210 1 21 LEU HA 1 21 LEU MD2 . . 3.220 2.012 1.925 2.106 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU HA 1 21 LEU HG . . 3.750 2.550 2.496 2.746 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU HA 1 24 THR H . . 3.900 3.440 2.964 3.809 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU HA 1 24 THR MG . . 3.390 2.002 1.926 2.302 . 0 0 "[ . 1 . 2]" 1
214 1 21 LEU HA 1 25 ARG H . . 4.660 4.463 4.200 4.653 . 0 0 "[ . 1 . 2]" 1
215 1 21 LEU HB2 1 21 LEU MD1 . . 3.390 2.367 2.242 2.438 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU HB2 1 22 LEU H . . 3.910 3.629 3.419 3.733 . 0 0 "[ . 1 . 2]" 1
217 1 21 LEU HB2 1 73 LEU QD . . 3.750 3.200 2.629 3.536 . 0 0 "[ . 1 . 2]" 1
218 1 21 LEU HB3 1 21 LEU MD1 . . 3.260 2.295 2.227 2.408 . 0 0 "[ . 1 . 2]" 1
219 1 21 LEU HB3 1 21 LEU MD2 . . 3.440 2.495 2.392 2.535 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU HB3 1 22 LEU H . . 4.160 3.441 3.271 3.595 . 0 0 "[ . 1 . 2]" 1
221 1 21 LEU HB3 1 73 LEU QD . . 3.860 2.218 1.823 2.560 . 0 0 "[ . 1 . 2]" 1
222 1 21 LEU MD1 1 72 MET ME . . 4.730 4.269 3.679 4.722 . 0 0 "[ . 1 . 2]" 1
223 1 21 LEU MD1 1 72 MET QG . . 4.060 3.255 2.651 3.931 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU MD1 1 73 LEU HA . . 3.950 2.307 1.893 3.121 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU MD1 1 76 TYR H . . 5.150 3.497 3.190 3.754 . 0 0 "[ . 1 . 2]" 1
226 1 21 LEU MD1 1 76 TYR QB . . 3.630 1.751 1.660 2.063 . 0 0 "[ . 1 . 2]" 1
227 1 21 LEU MD1 1 76 TYR QD . . 3.530 2.281 1.772 2.919 . 0 0 "[ . 1 . 2]" 1
228 1 21 LEU MD1 1 76 TYR QE . . 4.350 3.999 3.420 4.343 . 0 0 "[ . 1 . 2]" 1
229 1 21 LEU MD1 1 77 ILE H . . 4.210 3.121 2.809 3.396 . 0 0 "[ . 1 . 2]" 1
230 1 21 LEU MD2 1 26 ILE MD . . 2.740 2.263 1.750 2.735 . 0 0 "[ . 1 . 2]" 1
231 1 21 LEU MD2 1 72 MET ME . . 3.750 2.799 2.011 3.623 . 0 0 "[ . 1 . 2]" 1
232 1 21 LEU MD2 1 72 MET QG . . 4.260 2.691 1.917 3.656 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU MD2 1 76 TYR QD . . 4.010 2.673 2.237 3.486 . 0 0 "[ . 1 . 2]" 1
234 1 21 LEU MD2 1 76 TYR QE . . 4.310 3.067 2.526 3.791 . 0 0 "[ . 1 . 2]" 1
235 1 21 LEU HG 1 22 LEU H . . 5.330 5.321 5.234 5.371 0.041 13 0 "[ . 1 . 2]" 1
236 1 22 LEU H 1 22 LEU HB2 . . 3.590 2.187 2.098 2.271 . 0 0 "[ . 1 . 2]" 1
237 1 22 LEU H 1 22 LEU HB3 . . 4.070 3.463 3.378 3.527 . 0 0 "[ . 1 . 2]" 1
238 1 22 LEU H 1 22 LEU MD2 . . 3.640 2.456 2.185 2.624 . 0 0 "[ . 1 . 2]" 1
239 1 22 LEU H 1 22 LEU HG . . 3.730 3.732 3.556 3.830 0.100 6 0 "[ . 1 . 2]" 1
240 1 22 LEU H 1 23 ASP H . . 3.980 2.317 2.216 2.456 . 0 0 "[ . 1 . 2]" 1
241 1 22 LEU H 1 24 THR H . . 4.100 3.648 3.413 3.893 . 0 0 "[ . 1 . 2]" 1
242 1 22 LEU HA 1 22 LEU MD1 . . 3.170 2.695 2.407 2.840 . 0 0 "[ . 1 . 2]" 1
243 1 22 LEU HA 1 22 LEU MD2 . . 3.640 1.982 1.929 2.085 . 0 0 "[ . 1 . 2]" 1
244 1 22 LEU HA 1 22 LEU HG . . 3.940 3.645 3.578 3.709 . 0 0 "[ . 1 . 2]" 1
245 1 22 LEU HA 1 26 ILE H . . 4.090 3.928 3.548 4.126 0.036 4 0 "[ . 1 . 2]" 1
246 1 22 LEU HA 1 26 ILE HB . . 3.000 1.991 1.958 2.087 . 0 0 "[ . 1 . 2]" 1
247 1 22 LEU HA 1 26 ILE MD . . 2.990 2.502 2.067 3.023 0.033 17 0 "[ . 1 . 2]" 1
248 1 22 LEU HA 1 26 ILE HG13 . . 4.140 3.655 3.292 4.155 0.015 17 0 "[ . 1 . 2]" 1
249 1 22 LEU HB2 1 22 LEU MD1 . . 3.360 3.103 3.071 3.152 . 0 0 "[ . 1 . 2]" 1
250 1 22 LEU HB2 1 23 ASP H . . 3.930 2.987 2.593 3.601 . 0 0 "[ . 1 . 2]" 1
251 1 22 LEU HB3 1 23 ASP H . . 4.200 3.581 3.278 4.023 . 0 0 "[ . 1 . 2]" 1
252 1 22 LEU HG 1 39 TYR QB . . 3.350 2.820 2.514 3.280 . 0 0 "[ . 1 . 2]" 1
253 1 22 LEU HG 1 39 TYR QD . . 3.710 3.577 3.091 3.727 0.017 20 0 "[ . 1 . 2]" 1
254 1 23 ASP H 1 23 ASP HB2 . . 3.580 2.088 2.004 2.348 . 0 0 "[ . 1 . 2]" 1
255 1 23 ASP H 1 23 ASP HB3 . . 3.840 3.276 3.129 3.382 . 0 0 "[ . 1 . 2]" 1
256 1 23 ASP H 1 24 THR H . . 4.160 2.364 1.896 2.667 . 0 0 "[ . 1 . 2]" 1
257 1 23 ASP HA 1 27 ARG HD2 . . 3.620 3.560 2.074 3.748 0.128 19 0 "[ . 1 . 2]" 1
258 1 23 ASP HA 1 27 ARG HD3 . . 3.730 3.534 2.818 3.766 0.036 12 0 "[ . 1 . 2]" 1
259 1 23 ASP HA 1 27 ARG QG . . 4.180 3.891 3.698 4.062 . 0 0 "[ . 1 . 2]" 1
260 1 23 ASP HA 1 28 PRO HG3 . . 3.590 3.576 3.252 3.627 0.037 10 0 "[ . 1 . 2]" 1
261 1 23 ASP HB2 1 24 THR H . . 4.110 3.046 2.663 3.202 . 0 0 "[ . 1 . 2]" 1
262 1 23 ASP HB2 1 24 THR MG . . 4.170 4.103 3.800 4.197 0.027 9 0 "[ . 1 . 2]" 1
263 1 23 ASP HB3 1 24 THR H . . 4.900 3.126 2.691 3.395 . 0 0 "[ . 1 . 2]" 1
264 1 23 ASP HB3 1 24 THR MG . . 4.190 4.067 3.703 4.234 0.044 13 0 "[ . 1 . 2]" 1
265 1 24 THR H 1 24 THR MG . . 3.400 2.129 1.874 2.404 . 0 0 "[ . 1 . 2]" 1
266 1 24 THR HA 1 24 THR HB . . 3.060 2.631 2.551 2.672 . 0 0 "[ . 1 . 2]" 1
267 1 24 THR HA 1 24 THR MG . . 3.060 2.345 2.221 2.423 . 0 0 "[ . 1 . 2]" 1
268 1 24 THR HB 1 25 ARG H . . 3.660 2.531 2.071 3.555 . 0 0 "[ . 1 . 2]" 1
269 1 24 THR MG 1 25 ARG H . . 5.240 3.725 3.616 4.065 . 0 0 "[ . 1 . 2]" 1
270 1 25 ARG H 1 25 ARG QB . . 3.790 2.950 2.491 3.518 . 0 0 "[ . 1 . 2]" 1
271 1 25 ARG H 1 25 ARG HG2 . . 4.190 3.302 2.041 4.193 0.003 18 0 "[ . 1 . 2]" 1
272 1 25 ARG H 1 25 ARG HG3 . . 4.030 3.427 2.088 4.036 0.006 8 0 "[ . 1 . 2]" 1
273 1 25 ARG H 1 26 ILE H . . 3.550 2.502 2.099 2.728 . 0 0 "[ . 1 . 2]" 1
274 1 25 ARG H 1 26 ILE HB . . 4.910 3.850 3.526 4.157 . 0 0 "[ . 1 . 2]" 1
275 1 25 ARG H 1 26 ILE MD . . 4.910 4.234 3.966 4.522 . 0 0 "[ . 1 . 2]" 1
276 1 25 ARG H 1 27 ARG H . . 5.150 4.487 3.999 5.007 . 0 0 "[ . 1 . 2]" 1
277 1 25 ARG HA 1 25 ARG HG2 . . 3.910 2.901 2.067 3.914 0.004 16 0 "[ . 1 . 2]" 1
278 1 25 ARG HA 1 25 ARG HG3 . . 3.550 3.509 3.082 3.954 0.404 15 0 "[ . 1 . 2]" 1
279 1 25 ARG QB 1 25 ARG HD2 . . 3.750 2.618 1.981 3.312 . 0 0 "[ . 1 . 2]" 1
280 1 25 ARG QB 1 25 ARG HD3 . . 3.740 2.530 1.996 3.322 . 0 0 "[ . 1 . 2]" 1
281 1 25 ARG QB 1 26 ILE H . . 4.070 4.011 3.889 4.104 0.034 15 0 "[ . 1 . 2]" 1
282 1 25 ARG QB 1 26 ILE HA . . 4.550 4.363 4.228 4.546 . 0 0 "[ . 1 . 2]" 1
283 1 26 ILE H 1 26 ILE HB . . 3.600 2.508 2.392 2.610 . 0 0 "[ . 1 . 2]" 1
284 1 26 ILE H 1 26 ILE HG12 . . 4.190 3.928 3.607 4.207 0.017 17 0 "[ . 1 . 2]" 1
285 1 26 ILE H 1 26 ILE HG13 . . 4.200 3.057 2.797 3.300 . 0 0 "[ . 1 . 2]" 1
286 1 26 ILE H 1 26 ILE MG . . 4.090 3.735 3.620 3.830 . 0 0 "[ . 1 . 2]" 1
287 1 26 ILE H 1 27 ARG H . . 3.800 2.130 1.931 2.404 . 0 0 "[ . 1 . 2]" 1
288 1 26 ILE H 1 27 ARG QB . . 4.910 3.809 3.607 4.247 . 0 0 "[ . 1 . 2]" 1
289 1 26 ILE H 1 28 PRO QD . . 4.770 1.915 1.894 1.948 . 0 0 "[ . 1 . 2]" 1
290 1 26 ILE HA 1 26 ILE MD . . 4.330 3.701 3.582 3.783 . 0 0 "[ . 1 . 2]" 1
291 1 26 ILE HA 1 26 ILE HG12 . . 4.000 2.358 2.218 2.453 . 0 0 "[ . 1 . 2]" 1
292 1 26 ILE HA 1 26 ILE HG13 . . 3.740 3.064 2.853 3.283 . 0 0 "[ . 1 . 2]" 1
293 1 26 ILE HA 1 26 ILE MG . . 3.230 2.516 2.392 2.624 . 0 0 "[ . 1 . 2]" 1
294 1 26 ILE HB 1 26 ILE MD . . 3.520 2.421 2.274 2.580 . 0 0 "[ . 1 . 2]" 1
295 1 26 ILE HB 1 27 ARG H . . 3.740 2.501 2.266 2.689 . 0 0 "[ . 1 . 2]" 1
296 1 26 ILE MD 1 72 MET ME . . 3.000 2.166 1.681 2.912 . 0 0 "[ . 1 . 2]" 1
297 1 26 ILE MD 1 72 MET QG . . 4.080 3.548 2.890 3.851 . 0 0 "[ . 1 . 2]" 1
298 1 26 ILE HG12 1 72 MET ME . . 3.720 2.495 2.036 2.822 . 0 0 "[ . 1 . 2]" 1
299 1 26 ILE MG 1 27 ARG H . . 4.010 3.072 2.659 3.355 . 0 0 "[ . 1 . 2]" 1
300 1 26 ILE MG 1 27 ARG HA . . 3.360 3.212 2.922 3.376 0.016 13 0 "[ . 1 . 2]" 1
301 1 27 ARG H 1 27 ARG QB . . 3.770 2.067 2.029 2.591 . 0 0 "[ . 1 . 2]" 1
302 1 27 ARG H 1 27 ARG QG . . 4.890 3.546 1.894 3.958 . 0 0 "[ . 1 . 2]" 1
303 1 27 ARG H 1 28 PRO QD . . 3.730 1.945 1.771 2.086 . 0 0 "[ . 1 . 2]" 1
304 1 27 ARG HA 1 27 ARG QG . . 3.230 2.860 2.609 2.897 . 0 0 "[ . 1 . 2]" 1
305 1 27 ARG HA 1 30 VAL H . . 3.930 3.625 3.407 3.947 0.017 10 0 "[ . 1 . 2]" 1
306 1 27 ARG HA 1 30 VAL QG . . 3.450 2.884 2.319 3.352 . 0 0 "[ . 1 . 2]" 1
307 1 27 ARG HA 1 37 VAL HB . . 3.240 3.130 2.542 3.318 0.078 8 0 "[ . 1 . 2]" 1
308 1 27 ARG HA 1 37 VAL QG . . 3.930 2.202 1.759 3.553 . 0 0 "[ . 1 . 2]" 1
309 1 27 ARG QB 1 27 ARG HD2 . . 3.150 2.235 2.065 3.259 0.109 10 0 "[ . 1 . 2]" 1
310 1 27 ARG QB 1 27 ARG HD3 . . 3.310 2.861 2.085 3.056 . 0 0 "[ . 1 . 2]" 1
311 1 27 ARG QB 1 27 ARG HE . . 3.990 3.566 2.793 3.870 . 0 0 "[ . 1 . 2]" 1
312 1 27 ARG HD2 1 27 ARG QH1 . . 3.980 2.310 1.934 2.542 . 0 0 "[ . 1 . 2]" 1
313 1 27 ARG HD2 1 28 PRO QD . . 3.690 3.720 1.991 3.965 0.275 14 0 "[ . 1 . 2]" 1
314 1 27 ARG HD3 1 27 ARG QH1 . . 4.030 2.246 2.020 2.644 . 0 0 "[ . 1 . 2]" 1
315 1 27 ARG HD3 1 28 PRO QD . . 4.000 3.340 2.365 3.569 . 0 0 "[ . 1 . 2]" 1
316 1 27 ARG HE 1 31 GLN QE . . 4.710 3.426 2.586 4.518 . 0 0 "[ . 1 . 2]" 1
317 1 27 ARG QG 1 28 PRO QD . . 3.740 2.338 2.170 3.190 . 0 0 "[ . 1 . 2]" 1
318 1 27 ARG QG 1 31 GLN QE . . 4.830 2.432 1.728 3.791 . 0 0 "[ . 1 . 2]" 1
319 1 28 PRO HA 1 31 GLN H . . 4.850 3.642 3.213 4.008 . 0 0 "[ . 1 . 2]" 1
320 1 28 PRO HA 1 31 GLN QB . . 3.630 3.107 2.436 3.520 . 0 0 "[ . 1 . 2]" 1
321 1 28 PRO HA 1 32 GLU H . . 4.840 4.645 3.898 4.852 0.012 11 0 "[ . 1 . 2]" 1
322 1 28 PRO HB2 1 29 THR H . . 4.010 3.948 3.781 4.059 0.049 10 0 "[ . 1 . 2]" 1
323 1 28 PRO HB3 1 29 THR H . . 4.630 4.571 4.485 4.626 . 0 0 "[ . 1 . 2]" 1
324 1 28 PRO QD 1 29 THR H . . 4.020 2.567 2.397 2.706 . 0 0 "[ . 1 . 2]" 1
325 1 28 PRO HG2 1 29 THR H . . 4.340 3.729 3.459 3.921 . 0 0 "[ . 1 . 2]" 1
326 1 29 THR H 1 29 THR HB . . 3.250 2.230 2.106 2.372 . 0 0 "[ . 1 . 2]" 1
327 1 29 THR H 1 29 THR MG . . 4.060 3.655 3.537 3.742 . 0 0 "[ . 1 . 2]" 1
328 1 29 THR H 1 30 VAL H . . 3.640 2.308 2.133 2.567 . 0 0 "[ . 1 . 2]" 1
329 1 29 THR H 1 31 GLN H . . 4.940 3.674 3.211 4.145 . 0 0 "[ . 1 . 2]" 1
330 1 29 THR H 1 31 GLN QE . . 5.030 4.626 4.217 4.866 . 0 0 "[ . 1 . 2]" 1
331 1 29 THR HA 1 29 THR HB . . 3.030 3.046 3.011 3.064 0.034 10 0 "[ . 1 . 2]" 1
332 1 29 THR HA 1 29 THR MG . . 3.350 2.537 2.347 2.651 . 0 0 "[ . 1 . 2]" 1
333 1 29 THR HB 1 30 VAL H . . 3.480 2.786 2.188 3.315 . 0 0 "[ . 1 . 2]" 1
334 1 29 THR HB 1 30 VAL QG . . 4.020 3.401 3.072 3.941 . 0 0 "[ . 1 . 2]" 1
335 1 29 THR MG 1 30 VAL H . . 4.890 3.306 2.621 3.948 . 0 0 "[ . 1 . 2]" 1
336 1 30 VAL H 1 30 VAL HB . . 3.360 2.660 2.192 3.531 0.171 11 0 "[ . 1 . 2]" 1
337 1 30 VAL H 1 30 VAL QG . . 3.200 2.171 1.821 2.731 . 0 0 "[ . 1 . 2]" 1
338 1 30 VAL H 1 31 GLN H . . 3.790 2.603 2.149 2.974 . 0 0 "[ . 1 . 2]" 1
339 1 30 VAL H 1 32 GLU H . . 4.940 4.247 3.531 4.775 . 0 0 "[ . 1 . 2]" 1
340 1 30 VAL HA 1 30 VAL QG . . 3.080 2.128 2.049 2.219 . 0 0 "[ . 1 . 2]" 1
341 1 30 VAL HA 1 33 ASP H . . 5.020 3.400 3.158 3.892 . 0 0 "[ . 1 . 2]" 1
342 1 30 VAL HA 1 33 ASP HB2 . . 4.130 3.154 2.623 4.116 . 0 0 "[ . 1 . 2]" 1
343 1 30 VAL HA 1 33 ASP HB3 . . 3.730 3.615 2.869 4.070 0.340 17 0 "[ . 1 . 2]" 1
344 1 30 VAL HB 1 31 GLN H . . 3.800 2.997 2.398 3.926 0.126 10 0 "[ . 1 . 2]" 1
345 1 30 VAL QG 1 31 GLN H . . 4.540 2.857 1.901 3.409 . 0 0 "[ . 1 . 2]" 1
346 1 31 GLN H 1 31 GLN QB . . 3.720 2.316 2.156 2.487 . 0 0 "[ . 1 . 2]" 1
347 1 31 GLN H 1 31 GLN HG2 . . 4.000 3.336 2.434 3.999 . 0 0 "[ . 1 . 2]" 1
348 1 31 GLN H 1 31 GLN HG3 . . 3.690 2.836 1.984 3.994 0.304 10 0 "[ . 1 . 2]" 1
349 1 31 GLN H 1 32 GLU H . . 3.930 2.889 2.558 3.104 . 0 0 "[ . 1 . 2]" 1
350 1 31 GLN QB 1 32 GLU H . . 4.340 2.856 2.382 3.760 . 0 0 "[ . 1 . 2]" 1
351 1 32 GLU H 1 32 GLU HB2 . . 3.500 2.124 2.028 2.913 . 0 0 "[ . 1 . 2]" 1
352 1 32 GLU H 1 32 GLU HB3 . . 3.320 3.234 2.151 3.478 0.158 18 0 "[ . 1 . 2]" 1
353 1 32 GLU H 1 32 GLU HG2 . . 4.570 4.130 3.390 4.482 . 0 0 "[ . 1 . 2]" 1
354 1 32 GLU H 1 32 GLU HG3 . . 3.990 3.440 2.774 4.473 0.483 7 0 "[ . 1 . 2]" 1
355 1 32 GLU H 1 33 ASP H . . 3.770 2.734 2.324 2.935 . 0 0 "[ . 1 . 2]" 1
356 1 32 GLU H 1 34 GLY H . . 4.870 4.676 4.369 4.877 0.007 17 0 "[ . 1 . 2]" 1
357 1 32 GLU HA 1 32 GLU HG2 . . 3.420 2.438 2.013 3.487 0.067 7 0 "[ . 1 . 2]" 1
358 1 32 GLU HA 1 32 GLU HG3 . . 3.870 2.575 2.025 3.138 . 0 0 "[ . 1 . 2]" 1
359 1 32 GLU HB3 1 32 GLU HG3 . . 3.040 3.025 2.935 3.055 0.015 6 0 "[ . 1 . 2]" 1
360 1 32 GLU HB3 1 33 ASP H . . 4.120 3.464 2.842 3.923 . 0 0 "[ . 1 . 2]" 1
361 1 33 ASP H 1 33 ASP HB2 . . 3.900 2.399 2.060 2.976 . 0 0 "[ . 1 . 2]" 1
362 1 33 ASP H 1 33 ASP HB3 . . 3.470 2.743 2.345 3.097 . 0 0 "[ . 1 . 2]" 1
363 1 33 ASP H 1 34 GLY H . . 3.790 2.646 2.230 2.970 . 0 0 "[ . 1 . 2]" 1
364 1 33 ASP H 1 35 GLY H . . 4.940 4.689 3.998 4.953 0.013 2 0 "[ . 1 . 2]" 1
365 1 33 ASP HB3 1 34 GLY H . . 4.850 2.520 1.961 4.247 . 0 0 "[ . 1 . 2]" 1
366 1 35 GLY H 1 36 ASP H . . 4.410 4.259 3.713 4.413 0.003 5 0 "[ . 1 . 2]" 1
367 1 35 GLY HA3 1 36 ASP H . . 3.630 2.612 2.208 3.301 . 0 0 "[ . 1 . 2]" 1
368 1 36 ASP H 1 52 GLN H . . 4.000 2.516 1.891 3.078 . 0 0 "[ . 1 . 2]" 1
369 1 36 ASP H 1 52 GLN HB2 . . 4.170 4.274 4.180 4.852 0.682 19 2 "[ . 1 - . +2]" 1
370 1 36 ASP H 1 52 GLN HB3 . . 5.140 4.425 4.014 4.734 . 0 0 "[ . 1 . 2]" 1
371 1 36 ASP HB2 1 37 VAL H . . 4.650 4.059 2.709 4.682 0.032 19 0 "[ . 1 . 2]" 1
372 1 36 ASP HB2 1 38 ILE MD . . 4.380 3.061 1.940 4.374 . 0 0 "[ . 1 . 2]" 1
373 1 36 ASP HB3 1 37 VAL H . . 4.810 3.882 2.717 4.523 . 0 0 "[ . 1 . 2]" 1
374 1 36 ASP HB3 1 38 ILE MD . . 3.950 2.764 1.965 3.879 . 0 0 "[ . 1 . 2]" 1
375 1 37 VAL H 1 37 VAL HB . . 3.800 2.498 2.223 3.527 . 0 0 "[ . 1 . 2]" 1
376 1 37 VAL H 1 37 VAL QG . . 3.770 2.332 1.834 2.968 . 0 0 "[ . 1 . 2]" 1
377 1 37 VAL H 1 38 ILE MD . . 4.210 3.674 3.012 3.994 . 0 0 "[ . 1 . 2]" 1
378 1 37 VAL HA 1 38 ILE H . . 3.540 2.196 2.182 2.224 . 0 0 "[ . 1 . 2]" 1
379 1 37 VAL QG 1 38 ILE H . . 4.040 2.803 2.512 3.560 . 0 0 "[ . 1 . 2]" 1
380 1 37 VAL QG 1 49 LEU HB3 . . 3.830 2.031 1.789 3.357 . 0 0 "[ . 1 . 2]" 1
381 1 37 VAL QG 1 49 LEU HG . . 4.600 3.408 2.475 4.359 . 0 0 "[ . 1 . 2]" 1
382 1 38 ILE H 1 38 ILE HB . . 3.560 2.872 2.537 3.181 . 0 0 "[ . 1 . 2]" 1
383 1 38 ILE H 1 38 ILE HG12 . . 4.080 4.031 2.096 4.277 0.197 18 0 "[ . 1 . 2]" 1
384 1 38 ILE H 1 38 ILE HG13 . . 4.200 3.322 3.169 3.834 . 0 0 "[ . 1 . 2]" 1
385 1 38 ILE H 1 38 ILE MG . . 4.120 3.918 3.801 3.971 . 0 0 "[ . 1 . 2]" 1
386 1 38 ILE H 1 50 LYS H . . 4.260 2.030 1.859 2.452 . 0 0 "[ . 1 . 2]" 1
387 1 38 ILE HA 1 38 ILE MD . . 3.690 3.369 2.390 3.533 . 0 0 "[ . 1 . 2]" 1
388 1 38 ILE HA 1 38 ILE HG12 . . 3.970 3.619 3.460 3.710 . 0 0 "[ . 1 . 2]" 1
389 1 38 ILE HA 1 38 ILE HG13 . . 4.100 2.732 2.367 4.064 . 0 0 "[ . 1 . 2]" 1
390 1 38 ILE HA 1 38 ILE MG . . 3.010 2.225 1.958 2.329 . 0 0 "[ . 1 . 2]" 1
391 1 38 ILE HA 1 39 TYR H . . 3.100 2.195 2.176 2.248 . 0 0 "[ . 1 . 2]" 1
392 1 38 ILE HB 1 38 ILE MD . . 3.550 2.283 2.119 3.201 . 0 0 "[ . 1 . 2]" 1
393 1 38 ILE HB 1 50 LYS H . . 3.970 3.114 2.753 3.423 . 0 0 "[ . 1 . 2]" 1
394 1 38 ILE MD 1 38 ILE MG . . 3.300 3.038 1.908 3.186 . 0 0 "[ . 1 . 2]" 1
395 1 38 ILE MD 1 39 TYR H . . 4.940 4.952 4.362 5.048 0.108 10 0 "[ . 1 . 2]" 1
396 1 38 ILE HG12 1 38 ILE MG . . 3.330 2.259 2.039 3.239 . 0 0 "[ . 1 . 2]" 1
397 1 38 ILE HG13 1 38 ILE MG . . 3.460 2.679 2.423 2.744 . 0 0 "[ . 1 . 2]" 1
398 1 38 ILE MG 1 39 TYR H . . 3.520 3.089 2.692 3.522 0.002 16 0 "[ . 1 . 2]" 1
399 1 38 ILE MG 1 40 ARG QD . . 3.600 2.206 1.807 3.053 . 0 0 "[ . 1 . 2]" 1
400 1 38 ILE MG 1 40 ARG HG2 . . 3.190 2.688 2.167 3.221 0.031 16 0 "[ . 1 . 2]" 1
401 1 38 ILE MG 1 50 LYS QE . . 3.700 3.620 3.211 3.755 0.055 8 0 "[ . 1 . 2]" 1
402 1 39 TYR H 1 39 TYR QB . . 3.110 1.942 1.913 1.983 . 0 0 "[ . 1 . 2]" 1
403 1 39 TYR H 1 39 TYR QD . . 4.080 3.982 3.938 4.026 . 0 0 "[ . 1 . 2]" 1
404 1 39 TYR H 1 40 ARG H . . 4.330 4.364 4.348 4.381 0.051 19 0 "[ . 1 . 2]" 1
405 1 39 TYR H 1 40 ARG HG2 . . 4.260 4.074 3.975 4.144 . 0 0 "[ . 1 . 2]" 1
406 1 39 TYR H 1 49 LEU QD . . 3.950 3.012 2.793 3.563 . 0 0 "[ . 1 . 2]" 1
407 1 39 TYR HA 1 39 TYR QD . . 3.490 2.425 2.324 2.506 . 0 0 "[ . 1 . 2]" 1
408 1 39 TYR HA 1 40 ARG H . . 3.030 2.219 2.213 2.227 . 0 0 "[ . 1 . 2]" 1
409 1 39 TYR HA 1 41 GLY H . . 4.970 5.067 5.047 5.084 0.114 15 0 "[ . 1 . 2]" 1
410 1 39 TYR HA 1 49 LEU HA . . 4.010 2.315 2.083 2.516 . 0 0 "[ . 1 . 2]" 1
411 1 39 TYR HA 1 49 LEU QD . . 3.150 1.908 1.751 2.381 . 0 0 "[ . 1 . 2]" 1
412 1 39 TYR QB 1 40 ARG H . . 4.140 4.029 4.008 4.048 . 0 0 "[ . 1 . 2]" 1
413 1 39 TYR QB 1 41 GLY H . . 5.260 5.307 5.281 5.329 0.069 14 0 "[ . 1 . 2]" 1
414 1 39 TYR QB 1 49 LEU QD . . 3.270 1.858 1.748 2.043 . 0 0 "[ . 1 . 2]" 1
415 1 39 TYR QD 1 40 ARG H . . 4.230 2.667 2.585 2.972 . 0 0 "[ . 1 . 2]" 1
416 1 39 TYR QD 1 41 GLY H . . 4.340 3.198 3.089 3.532 . 0 0 "[ . 1 . 2]" 1
417 1 39 TYR QD 1 47 VAL QG . . 3.640 2.522 2.171 2.723 . 0 0 "[ . 1 . 2]" 1
418 1 39 TYR QD 1 48 ARG HB2 . . 4.010 3.728 3.512 3.898 . 0 0 "[ . 1 . 2]" 1
419 1 39 TYR QD 1 49 LEU QD . . 3.060 2.861 2.631 3.121 0.061 10 0 "[ . 1 . 2]" 1
420 1 39 TYR QE 1 41 GLY H . . 4.730 2.594 2.393 2.994 . 0 0 "[ . 1 . 2]" 1
421 1 39 TYR QE 1 41 GLY HA2 . . 3.960 3.580 3.395 3.985 0.025 10 0 "[ . 1 . 2]" 1
422 1 39 TYR QE 1 42 PHE HB2 . . 3.830 2.001 1.953 2.245 . 0 0 "[ . 1 . 2]" 1
423 1 39 TYR QE 1 42 PHE HB3 . . 3.740 3.369 2.906 3.759 0.019 14 0 "[ . 1 . 2]" 1
424 1 39 TYR QE 1 42 PHE QD . . 4.240 3.504 3.234 3.897 . 0 0 "[ . 1 . 2]" 1
425 1 39 TYR QE 1 47 VAL QG . . 3.440 3.096 2.515 3.327 . 0 0 "[ . 1 . 2]" 1
426 1 39 TYR QE 1 48 ARG H . . 4.230 3.567 3.326 3.690 . 0 0 "[ . 1 . 2]" 1
427 1 40 ARG H 1 40 ARG HB2 . . 3.950 2.842 2.732 2.908 . 0 0 "[ . 1 . 2]" 1
428 1 40 ARG H 1 40 ARG HB3 . . 3.890 3.821 3.801 3.829 . 0 0 "[ . 1 . 2]" 1
429 1 40 ARG H 1 40 ARG HG2 . . 4.170 2.522 2.365 2.786 . 0 0 "[ . 1 . 2]" 1
430 1 40 ARG H 1 40 ARG HG3 . . 4.640 3.848 3.793 4.033 . 0 0 "[ . 1 . 2]" 1
431 1 40 ARG H 1 41 GLY H . . 3.720 3.829 3.810 3.840 0.120 1 0 "[ . 1 . 2]" 1
432 1 40 ARG H 1 41 GLY HA3 . . 5.150 4.799 4.749 4.869 . 0 0 "[ . 1 . 2]" 1
433 1 40 ARG H 1 48 ARG HB2 . . 5.050 3.406 3.098 3.737 . 0 0 "[ . 1 . 2]" 1
434 1 40 ARG H 1 49 LEU HA . . 4.060 2.922 2.492 3.297 . 0 0 "[ . 1 . 2]" 1
435 1 40 ARG H 1 49 LEU QD . . 3.910 3.530 3.259 3.849 . 0 0 "[ . 1 . 2]" 1
436 1 40 ARG H 1 50 LYS H . . 4.380 4.222 3.975 4.394 0.014 4 0 "[ . 1 . 2]" 1
437 1 40 ARG HA 1 40 ARG QD . . 3.080 2.447 2.239 2.810 . 0 0 "[ . 1 . 2]" 1
438 1 40 ARG HA 1 40 ARG HG2 . . 3.880 3.085 2.997 3.199 . 0 0 "[ . 1 . 2]" 1
439 1 40 ARG HA 1 40 ARG HG3 . . 4.250 3.910 3.829 3.951 . 0 0 "[ . 1 . 2]" 1
440 1 40 ARG HB2 1 40 ARG QD . . 3.410 3.334 3.295 3.380 . 0 0 "[ . 1 . 2]" 1
441 1 40 ARG HB2 1 41 GLY H . . 4.930 4.424 4.384 4.492 . 0 0 "[ . 1 . 2]" 1
442 1 40 ARG HB2 1 86 VAL QG . . 3.950 2.977 2.795 3.196 . 0 0 "[ . 1 . 2]" 1
443 1 40 ARG HB3 1 41 GLY H . . 4.560 4.079 4.055 4.103 . 0 0 "[ . 1 . 2]" 1
444 1 40 ARG HG2 1 41 GLY H . . 5.130 5.119 5.072 5.170 0.040 3 0 "[ . 1 . 2]" 1
445 1 40 ARG HG2 1 86 VAL QG . . 3.850 3.756 3.637 3.833 . 0 0 "[ . 1 . 2]" 1
446 1 40 ARG HG3 1 86 VAL QG . . 3.740 3.709 3.685 3.737 . 0 0 "[ . 1 . 2]" 1
447 1 41 GLY H 1 42 PHE H . . 5.200 3.912 3.818 4.083 . 0 0 "[ . 1 . 2]" 1
448 1 41 GLY H 1 48 ARG H . . 4.760 4.678 4.419 4.810 0.050 8 0 "[ . 1 . 2]" 1
449 1 41 GLY H 1 48 ARG HB2 . . 4.400 3.849 3.697 4.129 . 0 0 "[ . 1 . 2]" 1
450 1 41 GLY HA2 1 42 PHE H . . 3.380 2.230 2.212 2.284 . 0 0 "[ . 1 . 2]" 1
451 1 41 GLY HA3 1 42 PHE H . . 3.510 3.163 3.043 3.221 . 0 0 "[ . 1 . 2]" 1
452 1 42 PHE H 1 42 PHE HB2 . . 4.050 3.155 3.064 3.279 . 0 0 "[ . 1 . 2]" 1
453 1 42 PHE H 1 42 PHE HB3 . . 3.930 2.661 2.589 2.723 . 0 0 "[ . 1 . 2]" 1
454 1 42 PHE H 1 42 PHE QD . . 5.240 4.221 4.095 4.341 . 0 0 "[ . 1 . 2]" 1
455 1 42 PHE H 1 43 GLU QG . . 5.220 4.281 3.069 5.115 . 0 0 "[ . 1 . 2]" 1
456 1 42 PHE HA 1 42 PHE QD . . 3.290 2.957 2.402 3.240 . 0 0 "[ . 1 . 2]" 1
457 1 42 PHE HA 1 43 GLU H . . 3.100 2.204 2.194 2.210 . 0 0 "[ . 1 . 2]" 1
458 1 42 PHE HA 1 47 VAL HA . . 3.400 2.560 2.311 2.804 . 0 0 "[ . 1 . 2]" 1
459 1 42 PHE HA 1 47 VAL QG . . 4.190 3.454 3.174 3.707 . 0 0 "[ . 1 . 2]" 1
460 1 42 PHE HA 1 48 ARG H . . 3.990 2.948 2.662 3.311 . 0 0 "[ . 1 . 2]" 1
461 1 42 PHE HB2 1 43 GLU H . . 5.180 4.534 4.450 4.589 . 0 0 "[ . 1 . 2]" 1
462 1 42 PHE HB2 1 47 VAL HA . . 4.050 3.749 3.481 4.011 . 0 0 "[ . 1 . 2]" 1
463 1 42 PHE HB2 1 47 VAL QG . . 4.350 3.352 3.067 3.717 . 0 0 "[ . 1 . 2]" 1
464 1 42 PHE HB3 1 43 GLU H . . 4.910 4.453 4.398 4.513 . 0 0 "[ . 1 . 2]" 1
465 1 42 PHE QD 1 43 GLU H . . 4.110 3.841 3.509 4.118 0.008 12 0 "[ . 1 . 2]" 1
466 1 42 PHE QD 1 47 VAL HA . . 3.540 2.759 2.059 3.471 . 0 0 "[ . 1 . 2]" 1
467 1 42 PHE QD 1 47 VAL QG . . 3.300 1.957 1.814 2.191 . 0 0 "[ . 1 . 2]" 1
468 1 42 PHE QE 1 45 GLY H . . 5.170 3.450 2.533 4.681 . 0 0 "[ . 1 . 2]" 1
469 1 42 PHE QE 1 45 GLY HA2 . . 4.010 2.755 2.284 3.121 . 0 0 "[ . 1 . 2]" 1
470 1 42 PHE QE 1 47 VAL QG . . 3.650 2.016 1.784 2.473 . 0 0 "[ . 1 . 2]" 1
471 1 42 PHE QE 1 80 VAL HA . . 3.600 2.906 2.138 3.432 . 0 0 "[ . 1 . 2]" 1
472 1 42 PHE QE 1 80 VAL QG . . 3.610 2.966 1.999 3.242 . 0 0 "[ . 1 . 2]" 1
473 1 42 PHE HZ 1 45 GLY H . . 5.010 4.284 3.470 4.987 . 0 0 "[ . 1 . 2]" 1
474 1 42 PHE HZ 1 45 GLY HA2 . . 3.920 2.537 2.255 2.646 . 0 0 "[ . 1 . 2]" 1
475 1 42 PHE HZ 1 45 GLY HA3 . . 4.100 4.058 3.915 4.166 0.066 12 0 "[ . 1 . 2]" 1
476 1 42 PHE HZ 1 79 GLU HB2 . . 3.840 2.729 2.281 3.578 . 0 0 "[ . 1 . 2]" 1
477 1 42 PHE HZ 1 79 GLU HB3 . . 4.070 2.436 2.069 2.859 . 0 0 "[ . 1 . 2]" 1
478 1 42 PHE HZ 1 80 VAL HA . . 3.850 2.886 2.336 3.712 . 0 0 "[ . 1 . 2]" 1
479 1 42 PHE HZ 1 80 VAL QG . . 3.980 3.677 3.047 3.849 . 0 0 "[ . 1 . 2]" 1
480 1 43 GLU H 1 43 GLU QB . . 3.680 2.611 2.149 3.170 . 0 0 "[ . 1 . 2]" 1
481 1 43 GLU H 1 46 ILE H . . 4.170 4.138 3.762 4.214 0.044 11 0 "[ . 1 . 2]" 1
482 1 43 GLU H 1 46 ILE HB . . 4.370 3.773 3.039 4.099 . 0 0 "[ . 1 . 2]" 1
483 1 43 GLU H 1 47 VAL HA . . 5.070 3.790 3.582 4.023 . 0 0 "[ . 1 . 2]" 1
484 1 43 GLU HA 1 43 GLU QG . . 3.740 2.288 1.966 3.333 . 0 0 "[ . 1 . 2]" 1
485 1 43 GLU HA 1 44 ASP H . . 3.070 2.342 2.233 2.395 . 0 0 "[ . 1 . 2]" 1
486 1 43 GLU HA 1 45 GLY H . . 4.760 3.445 3.113 4.803 0.043 12 0 "[ . 1 . 2]" 1
487 1 43 GLU HA 1 46 ILE H . . 5.310 5.300 4.885 5.368 0.058 12 0 "[ . 1 . 2]" 1
488 1 43 GLU QB 1 44 ASP H . . 4.380 3.127 2.714 3.950 . 0 0 "[ . 1 . 2]" 1
489 1 43 GLU QG 1 44 ASP H . . 5.100 3.498 2.314 4.352 . 0 0 "[ . 1 . 2]" 1
490 1 44 ASP H 1 45 GLY H . . 4.160 2.968 2.721 3.977 . 0 0 "[ . 1 . 2]" 1
491 1 44 ASP HA 1 45 GLY H . . 3.640 3.078 2.804 3.644 0.004 16 0 "[ . 1 . 2]" 1
492 1 45 GLY HA3 1 47 VAL H . . 5.100 5.218 5.176 5.330 0.230 16 0 "[ . 1 . 2]" 1
493 1 45 GLY HA3 1 81 GLU HB2 . . 3.820 2.688 2.100 3.539 . 0 0 "[ . 1 . 2]" 1
494 1 45 GLY HA3 1 81 GLU HG2 . . 4.040 3.562 2.880 4.666 0.626 5 1 "[ + 1 . 2]" 1
495 1 46 ILE H 1 46 ILE HB . . 3.070 2.387 2.253 2.465 . 0 0 "[ . 1 . 2]" 1
496 1 46 ILE H 1 46 ILE MD . . 3.740 2.972 1.848 3.604 . 0 0 "[ . 1 . 2]" 1
497 1 46 ILE H 1 46 ILE HG12 . . 3.870 2.557 1.939 3.906 0.036 20 0 "[ . 1 . 2]" 1
498 1 46 ILE H 1 46 ILE HG13 . . 4.000 3.254 2.872 3.441 . 0 0 "[ . 1 . 2]" 1
499 1 46 ILE H 1 46 ILE MG . . 3.920 3.697 3.660 3.715 . 0 0 "[ . 1 . 2]" 1
500 1 46 ILE H 1 81 GLU HB2 . . 5.270 3.126 2.674 3.936 . 0 0 "[ . 1 . 2]" 1
501 1 46 ILE HA 1 46 ILE MD . . 3.460 2.454 1.963 3.415 . 0 0 "[ . 1 . 2]" 1
502 1 46 ILE HA 1 46 ILE HG12 . . 4.170 3.002 2.706 3.523 . 0 0 "[ . 1 . 2]" 1
503 1 46 ILE HA 1 46 ILE HG13 . . 4.150 3.263 2.141 3.753 . 0 0 "[ . 1 . 2]" 1
504 1 46 ILE HA 1 46 ILE MG . . 3.400 2.444 2.348 2.558 . 0 0 "[ . 1 . 2]" 1
505 1 46 ILE HA 1 47 VAL H . . 3.360 2.214 2.205 2.220 . 0 0 "[ . 1 . 2]" 1
506 1 46 ILE HA 1 82 GLY H . . 4.140 2.240 1.945 2.671 . 0 0 "[ . 1 . 2]" 1
507 1 46 ILE HB 1 46 ILE MD . . 3.650 2.840 1.997 3.199 . 0 0 "[ . 1 . 2]" 1
508 1 46 ILE HB 1 47 VAL H . . 4.970 4.575 4.536 4.623 . 0 0 "[ . 1 . 2]" 1
509 1 46 ILE MD 1 81 GLU HB2 . . 3.790 2.957 2.077 3.495 . 0 0 "[ . 1 . 2]" 1
510 1 46 ILE MD 1 81 GLU HB3 . . 3.940 3.280 2.476 3.938 . 0 0 "[ . 1 . 2]" 1
511 1 46 ILE MD 1 82 GLY H . . 4.260 2.565 1.952 3.285 . 0 0 "[ . 1 . 2]" 1
512 1 46 ILE MD 1 82 GLY QA . . 3.420 2.416 1.843 3.436 0.016 1 0 "[ . 1 . 2]" 1
513 1 46 ILE HG12 1 46 ILE MG . . 3.740 2.880 2.001 3.241 . 0 0 "[ . 1 . 2]" 1
514 1 46 ILE HG12 1 82 GLY QA . . 4.350 3.945 2.921 4.356 0.006 7 0 "[ . 1 . 2]" 1
515 1 46 ILE HG13 1 46 ILE MG . . 3.320 2.576 2.369 2.909 . 0 0 "[ . 1 . 2]" 1
516 1 46 ILE MG 1 47 VAL H . . 3.590 3.248 3.171 3.366 . 0 0 "[ . 1 . 2]" 1
517 1 46 ILE MG 1 82 GLY QA . . 4.210 3.864 3.484 4.209 . 0 0 "[ . 1 . 2]" 1
518 1 46 ILE MG 1 83 VAL H . . 4.270 4.060 3.601 4.285 0.015 14 0 "[ . 1 . 2]" 1
519 1 46 ILE MG 1 83 VAL HA . . 3.710 3.190 2.873 3.508 . 0 0 "[ . 1 . 2]" 1
520 1 46 ILE MG 1 84 GLU H . . 3.660 3.662 3.537 3.693 0.033 15 0 "[ . 1 . 2]" 1
521 1 46 ILE MG 1 84 GLU HB2 . . 3.610 2.434 2.095 3.631 0.021 1 0 "[ . 1 . 2]" 1
522 1 46 ILE MG 1 84 GLU HB3 . . 3.340 3.505 2.318 3.643 0.303 17 0 "[ . 1 . 2]" 1
523 1 46 ILE MG 1 84 GLU HG2 . . 3.740 3.635 2.932 4.001 0.261 14 0 "[ . 1 . 2]" 1
524 1 46 ILE MG 1 84 GLU HG3 . . 3.980 3.323 1.830 3.990 0.010 10 0 "[ . 1 . 2]" 1
525 1 47 VAL H 1 47 VAL HB . . 3.500 2.400 2.278 2.561 . 0 0 "[ . 1 . 2]" 1
526 1 47 VAL H 1 47 VAL QG . . 3.480 2.265 1.968 2.495 . 0 0 "[ . 1 . 2]" 1
527 1 47 VAL H 1 48 ARG H . . 5.070 4.502 4.375 4.623 . 0 0 "[ . 1 . 2]" 1
528 1 47 VAL H 1 82 GLY H . . 4.900 3.549 2.955 3.999 . 0 0 "[ . 1 . 2]" 1
529 1 47 VAL H 1 83 VAL H . . 5.130 5.102 4.933 5.154 0.024 6 0 "[ . 1 . 2]" 1
530 1 47 VAL H 1 83 VAL HA . . 3.560 3.092 2.844 3.387 . 0 0 "[ . 1 . 2]" 1
531 1 47 VAL H 1 83 VAL QG . . 4.360 3.594 2.992 3.890 . 0 0 "[ . 1 . 2]" 1
532 1 47 VAL H 1 84 GLU H . . 4.990 4.772 4.489 4.996 0.006 19 0 "[ . 1 . 2]" 1
533 1 47 VAL HA 1 48 ARG H . . 3.600 2.199 2.182 2.256 . 0 0 "[ . 1 . 2]" 1
534 1 47 VAL HB 1 73 LEU QD . . 4.070 3.112 2.566 3.893 . 0 0 "[ . 1 . 2]" 1
535 1 47 VAL HB 1 83 VAL HA . . 3.720 3.543 3.241 3.734 0.014 16 0 "[ . 1 . 2]" 1
536 1 47 VAL QG 1 48 ARG H . . 3.620 2.648 2.138 3.064 . 0 0 "[ . 1 . 2]" 1
537 1 47 VAL QG 1 49 LEU H . . 5.140 4.235 4.046 4.576 . 0 0 "[ . 1 . 2]" 1
538 1 47 VAL QG 1 49 LEU QD . . 2.450 1.709 1.585 1.893 . 0 0 "[ . 1 . 2]" 1
539 1 47 VAL QG 1 49 LEU HG . . 3.300 2.874 2.184 3.511 0.211 18 0 "[ . 1 . 2]" 1
540 1 47 VAL QG 1 73 LEU QD . . 2.650 2.393 2.085 2.571 . 0 0 "[ . 1 . 2]" 1
541 1 47 VAL QG 1 80 VAL HA . . 4.170 3.112 2.828 3.433 . 0 0 "[ . 1 . 2]" 1
542 1 47 VAL QG 1 80 VAL HB . . 3.920 2.371 1.857 3.887 . 0 0 "[ . 1 . 2]" 1
543 1 47 VAL QG 1 80 VAL QG . . 3.200 1.852 1.666 2.087 . 0 0 "[ . 1 . 2]" 1
544 1 47 VAL QG 1 82 GLY H . . 5.170 4.303 3.928 4.679 . 0 0 "[ . 1 . 2]" 1
545 1 48 ARG H 1 48 ARG HB2 . . 3.820 2.277 2.113 2.496 . 0 0 "[ . 1 . 2]" 1
546 1 48 ARG H 1 48 ARG HB3 . . 3.950 3.512 3.414 3.574 . 0 0 "[ . 1 . 2]" 1
547 1 48 ARG H 1 48 ARG HG2 . . 4.280 3.734 3.029 4.127 . 0 0 "[ . 1 . 2]" 1
548 1 48 ARG H 1 48 ARG HG3 . . 4.300 2.737 2.210 3.076 . 0 0 "[ . 1 . 2]" 1
549 1 48 ARG H 1 49 LEU H . . 5.070 4.399 4.301 4.526 . 0 0 "[ . 1 . 2]" 1
550 1 48 ARG H 1 49 LEU QD . . 5.140 3.609 2.769 4.459 . 0 0 "[ . 1 . 2]" 1
551 1 48 ARG HA 1 48 ARG HG2 . . 3.850 2.367 2.186 2.635 . 0 0 "[ . 1 . 2]" 1
552 1 48 ARG HA 1 48 ARG HG3 . . 3.940 2.915 2.635 3.303 . 0 0 "[ . 1 . 2]" 1
553 1 48 ARG HA 1 49 LEU H . . 3.220 2.231 2.225 2.236 . 0 0 "[ . 1 . 2]" 1
554 1 48 ARG HA 1 84 GLU H . . 3.950 3.499 3.158 3.787 . 0 0 "[ . 1 . 2]" 1
555 1 48 ARG HA 1 86 VAL QG . . 4.220 2.378 2.104 2.758 . 0 0 "[ . 1 . 2]" 1
556 1 48 ARG HB3 1 48 ARG HD2 . . 3.360 2.886 2.179 3.546 0.186 8 0 "[ . 1 . 2]" 1
557 1 48 ARG HB3 1 86 VAL QG . . 3.400 1.775 1.728 1.919 . 0 0 "[ . 1 . 2]" 1
558 1 48 ARG HD2 1 86 VAL QG . . 3.920 2.985 1.932 3.789 . 0 0 "[ . 1 . 2]" 1
559 1 48 ARG HD3 1 86 VAL QG . . 4.110 2.217 1.895 2.691 . 0 0 "[ . 1 . 2]" 1
560 1 48 ARG HG2 1 86 VAL QG . . 3.890 2.201 1.832 3.002 . 0 0 "[ . 1 . 2]" 1
561 1 49 LEU H 1 49 LEU HB2 . . 3.790 2.714 2.307 2.961 . 0 0 "[ . 1 . 2]" 1
562 1 49 LEU H 1 49 LEU HB3 . . 4.140 3.754 3.421 3.856 . 0 0 "[ . 1 . 2]" 1
563 1 49 LEU H 1 49 LEU HG . . 4.100 3.471 2.534 4.303 0.203 18 0 "[ . 1 . 2]" 1
564 1 49 LEU H 1 84 GLU H . . 4.960 3.046 2.669 3.229 . 0 0 "[ . 1 . 2]" 1
565 1 49 LEU H 1 84 GLU HB2 . . 5.090 4.491 3.872 5.094 0.004 1 0 "[ . 1 . 2]" 1
566 1 49 LEU H 1 86 VAL H . . 4.520 2.963 2.827 3.127 . 0 0 "[ . 1 . 2]" 1
567 1 49 LEU H 1 86 VAL HA . . 5.370 5.390 5.329 5.443 0.073 18 0 "[ . 1 . 2]" 1
568 1 49 LEU H 1 86 VAL QG . . 3.560 2.531 2.380 2.935 . 0 0 "[ . 1 . 2]" 1
569 1 49 LEU HA 1 49 LEU QD . . 3.390 2.437 2.087 2.847 . 0 0 "[ . 1 . 2]" 1
570 1 49 LEU HA 1 50 LYS H . . 3.580 2.268 2.178 2.401 . 0 0 "[ . 1 . 2]" 1
571 1 49 LEU HB2 1 50 LYS H . . 4.260 3.956 3.764 4.273 0.013 11 0 "[ . 1 . 2]" 1
572 1 49 LEU HB3 1 49 LEU QD . . 3.180 2.130 1.947 2.364 . 0 0 "[ . 1 . 2]" 1
573 1 49 LEU HB3 1 50 LYS H . . 3.890 3.064 2.720 3.530 . 0 0 "[ . 1 . 2]" 1
574 1 49 LEU QD 1 50 LYS H . . 4.310 3.712 3.367 4.141 . 0 0 "[ . 1 . 2]" 1
575 1 50 LYS H 1 50 LYS HB2 . . 4.060 2.918 2.704 3.023 . 0 0 "[ . 1 . 2]" 1
576 1 50 LYS H 1 50 LYS HB3 . . 3.800 2.460 2.395 2.551 . 0 0 "[ . 1 . 2]" 1
577 1 50 LYS H 1 50 LYS HG2 . . 4.380 4.332 4.300 4.394 0.014 5 0 "[ . 1 . 2]" 1
578 1 50 LYS H 1 50 LYS HG3 . . 4.530 4.566 4.496 4.610 0.080 18 0 "[ . 1 . 2]" 1
579 1 50 LYS H 1 85 GLN HA . . 5.170 5.108 4.747 5.241 0.071 11 0 "[ . 1 . 2]" 1
580 1 50 LYS H 1 86 VAL QG . . 4.950 2.939 2.551 3.425 . 0 0 "[ . 1 . 2]" 1
581 1 50 LYS HA 1 50 LYS HG2 . . 4.230 3.201 3.151 3.254 . 0 0 "[ . 1 . 2]" 1
582 1 50 LYS HA 1 51 LEU H . . 3.500 2.484 2.439 2.524 . 0 0 "[ . 1 . 2]" 1
583 1 50 LYS HA 1 86 VAL H . . 4.770 3.109 2.656 3.575 . 0 0 "[ . 1 . 2]" 1
584 1 50 LYS HA 1 86 VAL QG . . 4.050 2.033 1.959 2.474 . 0 0 "[ . 1 . 2]" 1
585 1 50 LYS HB2 1 86 VAL H . . 5.040 4.398 3.822 5.052 0.012 2 0 "[ . 1 . 2]" 1
586 1 50 LYS QE 1 50 LYS HG2 . . 3.710 2.398 2.024 3.330 . 0 0 "[ . 1 . 2]" 1
587 1 50 LYS QE 1 50 LYS HG3 . . 3.810 3.248 2.484 3.492 . 0 0 "[ . 1 . 2]" 1
588 1 50 LYS HG2 1 51 LEU H . . 4.430 4.505 4.453 4.598 0.168 19 0 "[ . 1 . 2]" 1
589 1 50 LYS HG3 1 51 LEU H . . 4.360 4.413 4.342 4.475 0.115 20 0 "[ . 1 . 2]" 1
590 1 51 LEU H 1 51 LEU HB2 . . 3.730 3.346 2.036 3.685 . 0 0 "[ . 1 . 2]" 1
591 1 51 LEU H 1 51 LEU QD . . 4.290 2.698 1.764 3.751 . 0 0 "[ . 1 . 2]" 1
592 1 51 LEU H 1 51 LEU HG . . 4.030 3.788 3.011 4.059 0.029 17 0 "[ . 1 . 2]" 1
593 1 51 LEU H 1 85 GLN QG . . 3.920 2.362 1.858 2.672 . 0 0 "[ . 1 . 2]" 1
594 1 51 LEU HA 1 51 LEU QD . . 3.300 2.719 2.042 3.197 . 0 0 "[ . 1 . 2]" 1
595 1 51 LEU HA 1 51 LEU HG . . 4.130 3.822 2.393 4.248 0.118 16 0 "[ . 1 . 2]" 1
596 1 51 LEU HA 1 52 GLN H . . 3.330 2.311 2.186 2.444 . 0 0 "[ . 1 . 2]" 1
597 1 51 LEU HB2 1 52 GLN H . . 4.470 3.349 2.706 4.524 0.054 5 0 "[ . 1 . 2]" 1
598 1 51 LEU HB2 1 85 GLN QG . . 5.230 4.369 2.117 4.977 . 0 0 "[ . 1 . 2]" 1
599 1 51 LEU HB3 1 51 LEU QD . . 3.050 2.280 1.964 2.401 . 0 0 "[ . 1 . 2]" 1
600 1 51 LEU HB3 1 52 GLN H . . 4.460 4.213 3.674 4.508 0.048 4 0 "[ . 1 . 2]" 1
601 1 51 LEU QD 1 52 GLN H . . 4.000 2.257 1.779 2.954 . 0 0 "[ . 1 . 2]" 1
602 1 51 LEU QD 1 52 GLN HA . . 3.820 2.796 2.289 3.803 . 0 0 "[ . 1 . 2]" 1
603 1 51 LEU QD 1 52 GLN HB2 . . 4.800 4.219 3.886 4.726 . 0 0 "[ . 1 . 2]" 1
604 1 51 LEU QD 1 85 GLN HB2 . . 3.610 2.922 1.986 3.548 . 0 0 "[ . 1 . 2]" 1
605 1 51 LEU QD 1 85 GLN QG . . 3.420 2.457 1.675 3.270 . 0 0 "[ . 1 . 2]" 1
606 1 51 LEU HG 1 85 GLN QG . . 4.110 3.525 2.445 4.236 0.126 9 0 "[ . 1 . 2]" 1
607 1 52 GLN H 1 52 GLN HB2 . . 4.010 3.033 2.820 3.967 . 0 0 "[ . 1 . 2]" 1
608 1 52 GLN H 1 52 GLN HB3 . . 3.960 3.417 3.216 3.544 . 0 0 "[ . 1 . 2]" 1
609 1 52 GLN H 1 52 GLN QG . . 4.030 3.912 2.337 4.116 0.086 18 0 "[ . 1 . 2]" 1
610 1 52 GLN HA 1 52 GLN QG . . 3.860 2.161 1.964 3.339 . 0 0 "[ . 1 . 2]" 1
611 1 52 GLN HA 1 53 GLY H . . 3.520 2.329 2.204 2.622 . 0 0 "[ . 1 . 2]" 1
612 1 52 GLN HB2 1 53 GLY H . . 4.800 4.227 2.328 4.615 . 0 0 "[ . 1 . 2]" 1
613 1 52 GLN HB3 1 53 GLY H . . 4.800 3.553 2.691 4.141 . 0 0 "[ . 1 . 2]" 1
614 1 52 GLN QG 1 53 GLY H . . 4.770 2.968 2.280 3.993 . 0 0 "[ . 1 . 2]" 1
615 1 53 GLY HA3 1 55 CYS H . . 4.760 4.266 3.196 5.260 0.500 17 1 "[ . 1 . + 2]" 1
616 1 54 SER H 1 55 CYS H . . 4.850 2.462 2.068 3.007 . 0 0 "[ . 1 . 2]" 1
617 1 55 CYS H 1 56 THR H . . 4.290 3.937 2.424 4.307 0.017 1 0 "[ . 1 . 2]" 1
618 1 56 THR H 1 56 THR HB . . 4.190 2.627 2.316 2.969 . 0 0 "[ . 1 . 2]" 1
619 1 56 THR H 1 56 THR MG . . 3.900 2.605 2.016 3.866 . 0 0 "[ . 1 . 2]" 1
620 1 56 THR H 1 57 SER H . . 3.630 2.344 1.897 3.040 . 0 0 "[ . 1 . 2]" 1
621 1 56 THR HA 1 56 THR MG . . 3.170 3.058 2.359 3.235 0.065 8 0 "[ . 1 . 2]" 1
622 1 56 THR HA 1 62 ILE MD . . 3.370 2.400 1.944 3.345 . 0 0 "[ . 1 . 2]" 1
623 1 56 THR HA 1 62 ILE HG13 . . 3.960 3.472 2.264 3.964 0.004 8 0 "[ . 1 . 2]" 1
624 1 56 THR HB 1 57 SER H . . 4.410 4.255 3.598 4.459 0.049 13 0 "[ . 1 . 2]" 1
625 1 56 THR HB 1 62 ILE MD . . 3.670 3.508 3.052 3.725 0.055 20 0 "[ . 1 . 2]" 1
626 1 56 THR MG 1 57 SER HA . . 4.170 3.545 3.259 4.275 0.105 17 0 "[ . 1 . 2]" 1
627 1 56 THR MG 1 58 CYS H . . 5.330 4.177 2.055 5.255 . 0 0 "[ . 1 . 2]" 1
628 1 57 SER H 1 57 SER QB . . 3.510 2.407 2.034 3.108 . 0 0 "[ . 1 . 2]" 1
629 1 57 SER QB 1 58 CYS H . . 4.180 3.034 1.949 4.026 . 0 0 "[ . 1 . 2]" 1
630 1 58 CYS H 1 62 ILE MD . . 5.480 4.423 2.777 5.311 . 0 0 "[ . 1 . 2]" 1
631 1 58 CYS H 1 62 ILE HG13 . . 5.480 4.657 3.021 5.491 0.011 8 0 "[ . 1 . 2]" 1
632 1 58 CYS HA 1 59 PRO QD . . 2.980 1.915 1.869 2.027 . 0 0 "[ . 1 . 2]" 1
633 1 58 CYS HB2 1 59 PRO QD . . 3.730 3.300 1.998 3.891 0.161 4 0 "[ . 1 . 2]" 1
634 1 58 CYS HB3 1 59 PRO QD . . 3.480 3.099 2.248 3.757 0.277 10 0 "[ . 1 . 2]" 1
635 1 59 PRO HA 1 62 ILE H . . 4.660 3.298 2.934 3.624 . 0 0 "[ . 1 . 2]" 1
636 1 59 PRO HA 1 62 ILE HB . . 3.810 2.295 2.004 2.850 . 0 0 "[ . 1 . 2]" 1
637 1 59 PRO HA 1 62 ILE MD . . 3.530 3.103 2.827 3.492 . 0 0 "[ . 1 . 2]" 1
638 1 59 PRO HA 1 62 ILE MG . . 4.130 3.141 2.142 3.448 . 0 0 "[ . 1 . 2]" 1
639 1 59 PRO HG2 1 60 SER H . . 5.310 2.910 2.257 3.489 . 0 0 "[ . 1 . 2]" 1
640 1 59 PRO HG3 1 60 SER H . . 4.550 4.129 3.715 4.505 . 0 0 "[ . 1 . 2]" 1
641 1 60 SER H 1 60 SER HB3 . . 4.070 3.268 2.453 3.569 . 0 0 "[ . 1 . 2]" 1
642 1 60 SER H 1 61 SER H . . 4.270 3.011 2.346 3.325 . 0 0 "[ . 1 . 2]" 1
643 1 60 SER HA 1 63 ILE HB . . 3.600 2.871 2.287 3.605 0.005 8 0 "[ . 1 . 2]" 1
644 1 60 SER HA 1 63 ILE MD . . 3.790 3.047 2.273 3.721 . 0 0 "[ . 1 . 2]" 1
645 1 60 SER HB2 1 61 SER H . . 4.000 2.797 2.033 3.883 . 0 0 "[ . 1 . 2]" 1
646 1 61 SER H 1 61 SER HB2 . . 3.890 2.252 2.024 2.691 . 0 0 "[ . 1 . 2]" 1
647 1 61 SER H 1 61 SER HB3 . . 3.960 3.226 2.458 3.574 . 0 0 "[ . 1 . 2]" 1
648 1 61 SER H 1 62 ILE H . . 3.700 2.793 2.240 2.996 . 0 0 "[ . 1 . 2]" 1
649 1 61 SER H 1 62 ILE HB . . 5.010 4.622 4.021 4.816 . 0 0 "[ . 1 . 2]" 1
650 1 61 SER HB2 1 62 ILE H . . 4.870 3.259 2.728 4.106 . 0 0 "[ . 1 . 2]" 1
651 1 61 SER HB3 1 62 ILE H . . 4.050 3.207 2.601 4.003 . 0 0 "[ . 1 . 2]" 1
652 1 62 ILE H 1 62 ILE HB . . 3.360 2.052 1.984 2.120 . 0 0 "[ . 1 . 2]" 1
653 1 62 ILE H 1 62 ILE MD . . 3.960 3.939 3.730 4.007 0.047 6 0 "[ . 1 . 2]" 1
654 1 62 ILE H 1 62 ILE HG12 . . 4.360 3.968 3.670 4.374 0.014 4 0 "[ . 1 . 2]" 1
655 1 62 ILE H 1 62 ILE HG13 . . 3.670 3.043 2.789 3.538 . 0 0 "[ . 1 . 2]" 1
656 1 62 ILE H 1 63 ILE H . . 3.870 2.742 2.558 2.927 . 0 0 "[ . 1 . 2]" 1
657 1 62 ILE HA 1 62 ILE MD . . 3.850 3.666 3.597 3.711 . 0 0 "[ . 1 . 2]" 1
658 1 62 ILE HA 1 62 ILE HG12 . . 3.640 2.263 2.141 2.513 . 0 0 "[ . 1 . 2]" 1
659 1 62 ILE HA 1 62 ILE HG13 . . 3.170 2.685 2.303 2.943 . 0 0 "[ . 1 . 2]" 1
660 1 62 ILE HA 1 65 LEU H . . 3.990 3.260 3.099 3.525 . 0 0 "[ . 1 . 2]" 1
661 1 62 ILE HA 1 65 LEU HB2 . . 4.120 3.593 3.267 4.071 . 0 0 "[ . 1 . 2]" 1
662 1 62 ILE HA 1 66 LYS H . . 3.890 2.449 2.204 3.676 . 0 0 "[ . 1 . 2]" 1
663 1 62 ILE HB 1 62 ILE MD . . 2.950 2.392 2.170 2.564 . 0 0 "[ . 1 . 2]" 1
664 1 62 ILE MD 1 66 LYS QB . . 3.500 3.481 3.335 3.523 0.023 6 0 "[ . 1 . 2]" 1
665 1 62 ILE MD 1 66 LYS QE . . 3.470 2.936 2.288 3.402 . 0 0 "[ . 1 . 2]" 1
666 1 62 ILE MG 1 63 ILE H . . 4.130 2.288 1.934 2.399 . 0 0 "[ . 1 . 2]" 1
667 1 62 ILE MG 1 63 ILE HA . . 3.320 2.850 2.811 2.910 . 0 0 "[ . 1 . 2]" 1
668 1 62 ILE MG 1 63 ILE HG12 . . 3.670 3.229 2.943 3.516 . 0 0 "[ . 1 . 2]" 1
669 1 62 ILE MG 1 63 ILE HG13 . . 3.520 2.189 1.978 2.424 . 0 0 "[ . 1 . 2]" 1
670 1 62 ILE MG 1 64 THR H . . 4.020 4.077 4.045 4.108 0.088 9 0 "[ . 1 . 2]" 1
671 1 63 ILE H 1 63 ILE HB . . 3.290 2.385 2.283 2.448 . 0 0 "[ . 1 . 2]" 1
672 1 63 ILE H 1 63 ILE MD . . 3.990 3.261 3.040 3.416 . 0 0 "[ . 1 . 2]" 1
673 1 63 ILE H 1 63 ILE HG12 . . 3.610 3.502 3.325 3.675 0.065 4 0 "[ . 1 . 2]" 1
674 1 63 ILE H 1 63 ILE HG13 . . 4.080 2.097 1.956 2.309 . 0 0 "[ . 1 . 2]" 1
675 1 63 ILE H 1 63 ILE MG . . 3.930 3.699 3.671 3.710 . 0 0 "[ . 1 . 2]" 1
676 1 63 ILE H 1 64 THR H . . 3.900 2.660 2.608 2.875 . 0 0 "[ . 1 . 2]" 1
677 1 63 ILE HA 1 63 ILE MD . . 4.010 3.851 3.811 3.879 . 0 0 "[ . 1 . 2]" 1
678 1 63 ILE HA 1 63 ILE HG12 . . 3.930 2.643 2.542 2.767 . 0 0 "[ . 1 . 2]" 1
679 1 63 ILE HA 1 63 ILE HG13 . . 3.420 2.786 2.643 2.945 . 0 0 "[ . 1 . 2]" 1
680 1 63 ILE HA 1 63 ILE MG . . 2.970 2.397 2.330 2.514 . 0 0 "[ . 1 . 2]" 1
681 1 63 ILE HB 1 63 ILE MD . . 3.490 2.216 2.070 2.331 . 0 0 "[ . 1 . 2]" 1
682 1 63 ILE HB 1 64 THR H . . 3.660 3.370 3.075 3.455 . 0 0 "[ . 1 . 2]" 1
683 1 63 ILE MG 1 67 SER H . . 5.100 4.279 3.201 4.524 . 0 0 "[ . 1 . 2]" 1
684 1 63 ILE MG 1 67 SER HB3 . . 3.490 3.059 2.403 3.534 0.044 12 0 "[ . 1 . 2]" 1
685 1 63 ILE MG 1 68 GLY H . . 5.020 4.815 4.300 5.036 0.016 16 0 "[ . 1 . 2]" 1
686 1 64 THR H 1 64 THR HB . . 3.340 2.328 2.152 2.683 . 0 0 "[ . 1 . 2]" 1
687 1 64 THR H 1 64 THR MG . . 3.900 3.686 3.604 3.752 . 0 0 "[ . 1 . 2]" 1
688 1 64 THR H 1 65 LEU H . . 4.130 2.375 2.228 2.780 . 0 0 "[ . 1 . 2]" 1
689 1 64 THR HA 1 64 THR HB . . 2.970 3.053 3.033 3.066 0.096 2 0 "[ . 1 . 2]" 1
690 1 64 THR HA 1 64 THR MG . . 3.140 2.453 2.253 2.597 . 0 0 "[ . 1 . 2]" 1
691 1 64 THR HA 1 68 GLY H . . 3.970 3.795 3.587 3.914 . 0 0 "[ . 1 . 2]" 1
692 1 64 THR HB 1 65 LEU H . . 3.430 2.582 2.322 2.766 . 0 0 "[ . 1 . 2]" 1
693 1 64 THR HB 1 65 LEU HB2 . . 4.090 3.999 3.640 4.105 0.015 16 0 "[ . 1 . 2]" 1
694 1 64 THR MG 1 65 LEU H . . 4.820 3.393 2.992 3.841 . 0 0 "[ . 1 . 2]" 1
695 1 65 LEU H 1 65 LEU HB2 . . 3.510 2.162 2.092 2.205 . 0 0 "[ . 1 . 2]" 1
696 1 65 LEU H 1 65 LEU HB3 . . 3.530 3.364 3.182 3.466 . 0 0 "[ . 1 . 2]" 1
697 1 65 LEU H 1 65 LEU MD2 . . 4.190 3.672 2.203 4.360 0.170 3 0 "[ . 1 . 2]" 1
698 1 65 LEU H 1 65 LEU HG . . 4.920 4.100 3.234 4.476 . 0 0 "[ . 1 . 2]" 1
699 1 65 LEU H 1 66 LYS H . . 3.950 2.528 2.447 2.618 . 0 0 "[ . 1 . 2]" 1
700 1 65 LEU H 1 67 SER H . . 4.060 4.035 3.900 4.094 0.034 10 0 "[ . 1 . 2]" 1
701 1 65 LEU HA 1 65 LEU MD1 . . 3.040 2.637 1.936 3.811 0.771 15 5 "[* - . * 1 + *2]" 1
702 1 65 LEU HA 1 65 LEU MD2 . . 4.260 2.987 2.188 3.765 . 0 0 "[ . 1 . 2]" 1
703 1 65 LEU HB2 1 65 LEU MD1 . . 3.380 2.582 2.034 3.220 . 0 0 "[ . 1 . 2]" 1
704 1 65 LEU HB2 1 65 LEU MD2 . . 3.200 2.547 2.187 3.196 . 0 0 "[ . 1 . 2]" 1
705 1 65 LEU HB2 1 66 LYS H . . 3.920 2.655 2.471 2.988 . 0 0 "[ . 1 . 2]" 1
706 1 65 LEU HB3 1 65 LEU MD2 . . 3.250 2.609 2.081 3.213 . 0 0 "[ . 1 . 2]" 1
707 1 65 LEU HB3 1 66 LYS H . . 3.970 2.735 2.486 2.954 . 0 0 "[ . 1 . 2]" 1
708 1 65 LEU HB3 1 66 LYS HA . . 4.090 3.880 3.788 3.993 . 0 0 "[ . 1 . 2]" 1
709 1 65 LEU MD2 1 66 LYS H . . 4.390 4.350 4.103 4.540 0.150 7 0 "[ . 1 . 2]" 1
710 1 66 LYS H 1 66 LYS QB . . 3.240 2.041 1.994 2.089 . 0 0 "[ . 1 . 2]" 1
711 1 66 LYS H 1 66 LYS HG2 . . 4.930 4.191 3.861 4.585 . 0 0 "[ . 1 . 2]" 1
712 1 66 LYS H 1 66 LYS HG3 . . 4.070 4.045 3.562 4.396 0.326 20 0 "[ . 1 . 2]" 1
713 1 66 LYS H 1 67 SER H . . 3.940 3.163 3.076 3.222 . 0 0 "[ . 1 . 2]" 1
714 1 66 LYS HA 1 66 LYS HG2 . . 3.570 2.737 2.023 3.757 0.187 16 0 "[ . 1 . 2]" 1
715 1 66 LYS HA 1 66 LYS HG3 . . 4.020 2.741 1.979 3.428 . 0 0 "[ . 1 . 2]" 1
716 1 66 LYS HA 1 69 ILE H . . 4.100 3.895 3.538 4.104 0.004 12 0 "[ . 1 . 2]" 1
717 1 66 LYS QB 1 66 LYS HD3 . . 3.310 2.697 2.072 3.442 0.132 9 0 "[ . 1 . 2]" 1
718 1 66 LYS QB 1 66 LYS QE . . 3.380 2.372 1.894 3.231 . 0 0 "[ . 1 . 2]" 1
719 1 66 LYS QB 1 67 SER H . . 3.610 2.363 2.152 2.738 . 0 0 "[ . 1 . 2]" 1
720 1 66 LYS QE 1 66 LYS HG2 . . 3.800 2.641 1.965 3.370 . 0 0 "[ . 1 . 2]" 1
721 1 66 LYS QE 1 67 SER H . . 4.130 4.002 3.504 4.322 0.192 10 0 "[ . 1 . 2]" 1
722 1 66 LYS HG2 1 67 SER H . . 5.240 4.065 2.212 4.800 . 0 0 "[ . 1 . 2]" 1
723 1 66 LYS HG3 1 67 SER H . . 5.290 4.558 3.133 5.039 . 0 0 "[ . 1 . 2]" 1
724 1 67 SER H 1 67 SER HB2 . . 3.260 2.239 2.020 2.785 . 0 0 "[ . 1 . 2]" 1
725 1 67 SER H 1 67 SER HB3 . . 3.270 2.844 2.202 3.324 0.054 16 0 "[ . 1 . 2]" 1
726 1 67 SER HA 1 69 ILE H . . 4.880 4.387 3.652 4.877 . 0 0 "[ . 1 . 2]" 1
727 1 67 SER HA 1 70 GLN H . . 4.600 3.358 2.916 3.955 . 0 0 "[ . 1 . 2]" 1
728 1 67 SER HA 1 70 GLN QB . . 3.430 2.397 1.979 2.774 . 0 0 "[ . 1 . 2]" 1
729 1 67 SER HA 1 71 ASN H . . 4.950 4.057 3.471 4.601 . 0 0 "[ . 1 . 2]" 1
730 1 68 GLY H 1 69 ILE H . . 3.840 2.976 2.801 3.108 . 0 0 "[ . 1 . 2]" 1
731 1 68 GLY H 1 69 ILE HB . . 4.980 4.963 4.850 5.014 0.034 16 0 "[ . 1 . 2]" 1
732 1 68 GLY H 1 70 GLN H . . 4.830 4.452 4.139 4.816 . 0 0 "[ . 1 . 2]" 1
733 1 68 GLY H 1 71 ASN H . . 5.020 4.855 4.619 5.027 0.007 8 0 "[ . 1 . 2]" 1
734 1 68 GLY HA2 1 71 ASN H . . 3.960 3.802 3.571 3.962 0.002 17 0 "[ . 1 . 2]" 1
735 1 68 GLY HA3 1 71 ASN H . . 5.140 4.844 4.555 5.060 . 0 0 "[ . 1 . 2]" 1
736 1 69 ILE H 1 69 ILE HB . . 3.310 2.252 2.155 2.344 . 0 0 "[ . 1 . 2]" 1
737 1 69 ILE H 1 69 ILE MD . . 3.920 3.031 2.353 3.687 . 0 0 "[ . 1 . 2]" 1
738 1 69 ILE H 1 69 ILE HG12 . . 3.990 3.843 2.671 4.014 0.024 16 0 "[ . 1 . 2]" 1
739 1 69 ILE H 1 69 ILE HG13 . . 3.560 2.654 2.319 3.873 0.313 5 0 "[ . 1 . 2]" 1
740 1 69 ILE H 1 69 ILE MG . . 3.990 3.653 3.593 3.697 . 0 0 "[ . 1 . 2]" 1
741 1 69 ILE H 1 70 GLN H . . 3.540 2.710 2.351 3.032 . 0 0 "[ . 1 . 2]" 1
742 1 69 ILE HA 1 69 ILE HG12 . . 3.810 2.841 2.636 3.240 . 0 0 "[ . 1 . 2]" 1
743 1 69 ILE HA 1 69 ILE HG13 . . 3.340 2.483 2.155 3.625 0.285 5 0 "[ . 1 . 2]" 1
744 1 69 ILE HA 1 69 ILE MG . . 2.830 2.567 2.482 2.648 . 0 0 "[ . 1 . 2]" 1
745 1 69 ILE HA 1 72 MET H . . 4.750 3.342 2.973 3.676 . 0 0 "[ . 1 . 2]" 1
746 1 69 ILE HA 1 72 MET HB3 . . 3.520 2.593 2.028 2.999 . 0 0 "[ . 1 . 2]" 1
747 1 69 ILE HA 1 72 MET ME . . 4.210 2.694 2.044 3.972 . 0 0 "[ . 1 . 2]" 1
748 1 69 ILE HA 1 73 LEU H . . 4.600 4.086 3.541 4.564 . 0 0 "[ . 1 . 2]" 1
749 1 69 ILE HB 1 69 ILE MD . . 3.180 2.114 1.961 3.202 0.022 5 0 "[ . 1 . 2]" 1
750 1 69 ILE HB 1 70 GLN H . . 3.560 2.595 2.356 2.840 . 0 0 "[ . 1 . 2]" 1
751 1 69 ILE MG 1 70 GLN H . . 3.850 2.971 2.522 3.303 . 0 0 "[ . 1 . 2]" 1
752 1 69 ILE MG 1 71 ASN H . . 4.910 4.757 4.439 4.917 0.007 13 0 "[ . 1 . 2]" 1
753 1 69 ILE MG 1 72 MET HB3 . . 4.040 3.497 2.985 3.904 . 0 0 "[ . 1 . 2]" 1
754 1 69 ILE MG 1 72 MET ME . . 2.880 2.658 1.993 2.884 0.004 6 0 "[ . 1 . 2]" 1
755 1 70 GLN H 1 70 GLN QB . . 3.480 2.196 2.115 2.398 . 0 0 "[ . 1 . 2]" 1
756 1 70 GLN H 1 70 GLN HG2 . . 4.490 4.227 2.734 4.491 0.001 10 0 "[ . 1 . 2]" 1
757 1 70 GLN H 1 71 ASN H . . 4.000 2.954 2.799 3.109 . 0 0 "[ . 1 . 2]" 1
758 1 70 GLN HA 1 70 GLN HG2 . . 3.760 2.651 2.108 3.190 . 0 0 "[ . 1 . 2]" 1
759 1 70 GLN HA 1 70 GLN HG3 . . 3.670 2.895 2.015 3.551 . 0 0 "[ . 1 . 2]" 1
760 1 70 GLN HA 1 83 VAL QG . . 2.930 2.492 2.071 2.885 . 0 0 "[ . 1 . 2]" 1
761 1 70 GLN QB 1 70 GLN HE21 . . 4.270 2.858 2.203 3.666 . 0 0 "[ . 1 . 2]" 1
762 1 70 GLN QB 1 71 ASN H . . 3.790 2.578 2.289 2.994 . 0 0 "[ . 1 . 2]" 1
763 1 70 GLN QB 1 83 VAL QG . . 3.060 2.609 1.926 2.951 . 0 0 "[ . 1 . 2]" 1
764 1 70 GLN HE22 1 70 GLN HG2 . . 4.130 3.774 3.475 4.147 0.017 7 0 "[ . 1 . 2]" 1
765 1 70 GLN HG2 1 71 ASN H . . 5.500 4.200 3.598 5.423 . 0 0 "[ . 1 . 2]" 1
766 1 70 GLN HG2 1 83 VAL QG . . 3.660 2.678 1.673 3.780 0.120 10 0 "[ . 1 . 2]" 1
767 1 70 GLN HG3 1 71 ASN H . . 5.130 4.926 4.664 5.151 0.021 9 0 "[ . 1 . 2]" 1
768 1 70 GLN HG3 1 83 VAL QG . . 3.820 2.123 1.742 3.359 . 0 0 "[ . 1 . 2]" 1
769 1 71 ASN H 1 71 ASN HB2 . . 3.410 2.213 2.031 2.755 . 0 0 "[ . 1 . 2]" 1
770 1 71 ASN H 1 71 ASN HB3 . . 3.550 3.021 2.286 3.542 . 0 0 "[ . 1 . 2]" 1
771 1 71 ASN H 1 72 MET H . . 4.030 2.785 2.395 3.024 . 0 0 "[ . 1 . 2]" 1
772 1 71 ASN HA 1 74 GLN H . . 5.100 3.569 3.297 3.978 . 0 0 "[ . 1 . 2]" 1
773 1 71 ASN HA 1 74 GLN QB . . 4.190 2.893 2.459 4.065 . 0 0 "[ . 1 . 2]" 1
774 1 71 ASN HB2 1 72 MET H . . 3.930 3.110 2.160 3.739 . 0 0 "[ . 1 . 2]" 1
775 1 71 ASN HB3 1 72 MET H . . 4.110 2.493 2.071 3.106 . 0 0 "[ . 1 . 2]" 1
776 1 71 ASN HD21 1 72 MET H . . 4.880 4.329 3.304 4.857 . 0 0 "[ . 1 . 2]" 1
777 1 72 MET H 1 72 MET HB2 . . 3.780 2.418 2.281 2.597 . 0 0 "[ . 1 . 2]" 1
778 1 72 MET H 1 72 MET HB3 . . 3.650 2.501 2.281 2.662 . 0 0 "[ . 1 . 2]" 1
779 1 72 MET H 1 73 LEU H . . 3.900 2.994 2.718 3.105 . 0 0 "[ . 1 . 2]" 1
780 1 72 MET H 1 73 LEU HA . . 5.500 5.464 5.253 5.526 0.026 9 0 "[ . 1 . 2]" 1
781 1 72 MET HA 1 72 MET QG . . 3.640 2.452 2.321 2.597 . 0 0 "[ . 1 . 2]" 1
782 1 72 MET HA 1 75 PHE H . . 3.880 3.477 3.168 3.716 . 0 0 "[ . 1 . 2]" 1
783 1 72 MET HA 1 75 PHE HB2 . . 4.160 3.179 2.339 3.494 . 0 0 "[ . 1 . 2]" 1
784 1 72 MET HA 1 75 PHE HB3 . . 3.750 2.130 1.986 2.495 . 0 0 "[ . 1 . 2]" 1
785 1 72 MET HA 1 76 TYR QE . . 4.820 4.500 4.268 4.761 . 0 0 "[ . 1 . 2]" 1
786 1 72 MET HB2 1 73 LEU H . . 3.900 3.856 3.542 4.067 0.167 17 0 "[ . 1 . 2]" 1
787 1 72 MET HB3 1 73 LEU H . . 4.280 2.487 2.043 2.798 . 0 0 "[ . 1 . 2]" 1
788 1 72 MET ME 1 73 LEU H . . 4.350 3.979 3.169 4.371 0.021 17 0 "[ . 1 . 2]" 1
789 1 72 MET ME 1 76 TYR QE . . 4.330 3.975 3.527 4.336 0.006 16 0 "[ . 1 . 2]" 1
790 1 72 MET QG 1 76 TYR QE . . 3.970 2.177 1.849 2.736 . 0 0 "[ . 1 . 2]" 1
791 1 73 LEU H 1 73 LEU HB2 . . 3.420 2.051 1.977 2.434 . 0 0 "[ . 1 . 2]" 1
792 1 73 LEU H 1 73 LEU HB3 . . 4.110 3.076 2.441 3.360 . 0 0 "[ . 1 . 2]" 1
793 1 73 LEU H 1 73 LEU QD . . 3.980 3.375 2.930 3.589 . 0 0 "[ . 1 . 2]" 1
794 1 73 LEU H 1 74 GLN H . . 4.030 2.930 2.720 3.217 . 0 0 "[ . 1 . 2]" 1
795 1 73 LEU H 1 75 PHE H . . 4.940 4.117 3.625 4.576 . 0 0 "[ . 1 . 2]" 1
796 1 73 LEU HA 1 73 LEU QD . . 3.000 1.961 1.871 2.047 . 0 0 "[ . 1 . 2]" 1
797 1 73 LEU HB2 1 73 LEU QD . . 2.940 2.241 2.089 2.509 . 0 0 "[ . 1 . 2]" 1
798 1 73 LEU HB2 1 74 GLN H . . 3.770 3.193 2.687 3.818 0.048 6 0 "[ . 1 . 2]" 1
799 1 73 LEU HB3 1 73 LEU QD . . 3.130 2.195 1.986 2.410 . 0 0 "[ . 1 . 2]" 1
800 1 73 LEU HB3 1 74 GLN H . . 4.770 2.550 2.182 3.008 . 0 0 "[ . 1 . 2]" 1
801 1 73 LEU HB3 1 80 VAL QG . . 3.850 2.374 1.722 3.506 . 0 0 "[ . 1 . 2]" 1
802 1 73 LEU QD 1 74 GLN H . . 4.780 3.787 2.590 4.086 . 0 0 "[ . 1 . 2]" 1
803 1 73 LEU QD 1 74 GLN HE21 . . 4.280 3.858 3.190 4.206 . 0 0 "[ . 1 . 2]" 1
804 1 74 GLN H 1 74 GLN QB . . 3.370 2.203 2.012 2.350 . 0 0 "[ . 1 . 2]" 1
805 1 74 GLN H 1 74 GLN HG2 . . 3.810 3.960 2.527 4.231 0.421 11 0 "[ . 1 . 2]" 1
806 1 74 GLN H 1 74 GLN HG3 . . 4.220 3.110 2.469 3.916 . 0 0 "[ . 1 . 2]" 1
807 1 74 GLN H 1 75 PHE H . . 3.980 2.752 2.481 2.965 . 0 0 "[ . 1 . 2]" 1
808 1 74 GLN H 1 80 VAL QG . . 5.130 3.320 3.043 3.933 . 0 0 "[ . 1 . 2]" 1
809 1 74 GLN HA 1 74 GLN HG2 . . 4.010 3.065 2.141 3.728 . 0 0 "[ . 1 . 2]" 1
810 1 74 GLN HA 1 74 GLN HG3 . . 3.690 2.346 2.014 3.658 . 0 0 "[ . 1 . 2]" 1
811 1 74 GLN HA 1 80 VAL H . . 4.530 4.288 3.516 4.563 0.033 12 0 "[ . 1 . 2]" 1
812 1 74 GLN QB 1 74 GLN HE22 . . 4.870 3.807 3.372 4.098 . 0 0 "[ . 1 . 2]" 1
813 1 74 GLN QB 1 75 PHE H . . 4.640 2.683 2.426 3.586 . 0 0 "[ . 1 . 2]" 1
814 1 74 GLN HE21 1 81 GLU HA . . 4.450 4.234 3.591 4.454 0.004 13 0 "[ . 1 . 2]" 1
815 1 74 GLN HG2 1 80 VAL QG . . 4.080 3.362 1.875 3.816 . 0 0 "[ . 1 . 2]" 1
816 1 74 GLN HG3 1 80 VAL QG . . 3.940 2.422 1.964 3.598 . 0 0 "[ . 1 . 2]" 1
817 1 75 PHE H 1 75 PHE HB2 . . 3.370 2.606 2.474 2.691 . 0 0 "[ . 1 . 2]" 1
818 1 75 PHE H 1 75 PHE HB3 . . 3.390 2.155 2.053 2.333 . 0 0 "[ . 1 . 2]" 1
819 1 75 PHE H 1 76 TYR H . . 3.680 2.974 2.773 3.142 . 0 0 "[ . 1 . 2]" 1
820 1 75 PHE HA 1 75 PHE QD . . 3.610 3.145 2.521 3.274 . 0 0 "[ . 1 . 2]" 1
821 1 75 PHE HB2 1 76 TYR H . . 4.000 3.869 3.755 4.063 0.063 17 0 "[ . 1 . 2]" 1
822 1 75 PHE HB3 1 76 TYR H . . 3.700 2.458 2.299 2.745 . 0 0 "[ . 1 . 2]" 1
823 1 75 PHE HB3 1 76 TYR QD . . 3.960 3.864 3.189 3.980 0.020 13 0 "[ . 1 . 2]" 1
824 1 75 PHE QD 1 76 TYR H . . 3.220 2.308 2.045 3.235 0.015 9 0 "[ . 1 . 2]" 1
825 1 75 PHE QD 1 76 TYR QD . . 4.140 2.660 1.994 2.982 . 0 0 "[ . 1 . 2]" 1
826 1 75 PHE QE 1 76 TYR QD . . 3.080 3.074 2.933 3.092 0.012 15 0 "[ . 1 . 2]" 1
827 1 76 TYR H 1 76 TYR QB . . 3.680 2.003 1.910 2.132 . 0 0 "[ . 1 . 2]" 1
828 1 76 TYR H 1 77 ILE H . . 3.570 2.680 2.419 2.771 . 0 0 "[ . 1 . 2]" 1
829 1 76 TYR H 1 77 ILE HB . . 5.070 5.054 4.680 5.122 0.052 9 0 "[ . 1 . 2]" 1
830 1 76 TYR HA 1 76 TYR QD . . 3.330 2.478 2.310 3.087 . 0 0 "[ . 1 . 2]" 1
831 1 76 TYR QB 1 77 ILE H . . 4.580 2.267 2.202 2.348 . 0 0 "[ . 1 . 2]" 1
832 1 76 TYR QB 1 77 ILE HG13 . . 3.840 3.167 2.348 4.004 0.164 20 0 "[ . 1 . 2]" 1
833 1 76 TYR QD 1 77 ILE H . . 5.100 4.283 4.122 4.390 . 0 0 "[ . 1 . 2]" 1
834 1 77 ILE H 1 77 ILE HB . . 3.680 2.474 2.407 2.525 . 0 0 "[ . 1 . 2]" 1
835 1 77 ILE H 1 77 ILE HG12 . . 4.230 3.238 2.426 4.161 . 0 0 "[ . 1 . 2]" 1
836 1 77 ILE H 1 77 ILE HG13 . . 3.830 3.257 2.197 3.813 . 0 0 "[ . 1 . 2]" 1
837 1 77 ILE H 1 77 ILE MG . . 4.730 3.761 3.701 3.797 . 0 0 "[ . 1 . 2]" 1
838 1 77 ILE H 1 80 VAL QG . . 4.060 3.654 3.317 4.004 . 0 0 "[ . 1 . 2]" 1
839 1 77 ILE HA 1 77 ILE HG12 . . 3.890 2.761 2.505 3.103 . 0 0 "[ . 1 . 2]" 1
840 1 77 ILE HA 1 77 ILE MG . . 3.200 2.350 2.277 2.480 . 0 0 "[ . 1 . 2]" 1
841 1 77 ILE HA 1 78 PRO HD2 . . 3.120 2.245 2.206 2.302 . 0 0 "[ . 1 . 2]" 1
842 1 77 ILE HA 1 78 PRO HD3 . . 3.130 1.987 1.939 2.037 . 0 0 "[ . 1 . 2]" 1
843 1 77 ILE HB 1 80 VAL QG . . 3.160 2.299 1.881 2.696 . 0 0 "[ . 1 . 2]" 1
844 1 77 ILE MD 1 79 GLU HG3 . . 3.870 3.852 3.645 3.920 0.050 17 0 "[ . 1 . 2]" 1
845 1 77 ILE MG 1 78 PRO HD3 . . 3.980 3.449 3.176 3.569 . 0 0 "[ . 1 . 2]" 1
846 1 77 ILE MG 1 79 GLU H . . 3.290 1.859 1.729 1.987 . 0 0 "[ . 1 . 2]" 1
847 1 77 ILE MG 1 79 GLU HA . . 3.890 3.814 3.646 3.919 0.029 20 0 "[ . 1 . 2]" 1
848 1 77 ILE MG 1 79 GLU HB2 . . 3.880 1.946 1.904 2.017 . 0 0 "[ . 1 . 2]" 1
849 1 77 ILE MG 1 79 GLU HB3 . . 3.520 3.366 3.279 3.472 . 0 0 "[ . 1 . 2]" 1
850 1 77 ILE MG 1 79 GLU HG2 . . 4.050 2.662 2.124 3.419 . 0 0 "[ . 1 . 2]" 1
851 1 77 ILE MG 1 79 GLU HG3 . . 4.020 2.090 1.825 2.598 . 0 0 "[ . 1 . 2]" 1
852 1 77 ILE MG 1 80 VAL H . . 3.570 2.116 1.929 2.509 . 0 0 "[ . 1 . 2]" 1
853 1 78 PRO HB2 1 79 GLU H . . 3.980 3.918 3.812 4.010 0.030 9 0 "[ . 1 . 2]" 1
854 1 78 PRO HD2 1 79 GLU HG2 . . 4.020 3.012 2.701 3.768 . 0 0 "[ . 1 . 2]" 1
855 1 78 PRO HD3 1 79 GLU H . . 4.170 3.765 3.714 3.818 . 0 0 "[ . 1 . 2]" 1
856 1 79 GLU H 1 79 GLU HB2 . . 3.900 2.563 2.399 2.671 . 0 0 "[ . 1 . 2]" 1
857 1 79 GLU H 1 79 GLU HB3 . . 3.420 3.556 3.540 3.583 0.163 10 0 "[ . 1 . 2]" 1
858 1 79 GLU H 1 79 GLU HG2 . . 4.110 2.199 1.946 2.859 . 0 0 "[ . 1 . 2]" 1
859 1 79 GLU H 1 79 GLU HG3 . . 4.310 2.806 2.524 3.181 . 0 0 "[ . 1 . 2]" 1
860 1 79 GLU H 1 80 VAL H . . 3.950 2.839 2.395 3.072 . 0 0 "[ . 1 . 2]" 1
861 1 79 GLU HA 1 79 GLU HG2 . . 2.930 2.580 2.285 2.743 . 0 0 "[ . 1 . 2]" 1
862 1 79 GLU HA 1 79 GLU HG3 . . 3.750 3.741 3.485 3.837 0.087 9 0 "[ . 1 . 2]" 1
863 1 79 GLU HB3 1 80 VAL H . . 4.420 3.384 3.004 4.171 . 0 0 "[ . 1 . 2]" 1
864 1 80 VAL H 1 80 VAL HB . . 3.160 2.626 2.408 2.732 . 0 0 "[ . 1 . 2]" 1
865 1 80 VAL H 1 80 VAL QG . . 3.250 1.944 1.814 2.253 . 0 0 "[ . 1 . 2]" 1
866 1 80 VAL HA 1 80 VAL QG . . 3.210 2.377 2.048 2.507 . 0 0 "[ . 1 . 2]" 1
867 1 80 VAL HA 1 81 GLU H . . 2.900 2.381 2.207 2.519 . 0 0 "[ . 1 . 2]" 1
868 1 80 VAL QG 1 81 GLU H . . 3.760 2.046 1.782 2.661 . 0 0 "[ . 1 . 2]" 1
869 1 80 VAL QG 1 82 GLY H . . 3.290 2.716 2.337 3.256 . 0 0 "[ . 1 . 2]" 1
870 1 81 GLU H 1 81 GLU HB2 . . 3.650 2.536 2.427 2.737 . 0 0 "[ . 1 . 2]" 1
871 1 81 GLU H 1 81 GLU HB3 . . 3.990 3.659 3.520 3.808 . 0 0 "[ . 1 . 2]" 1
872 1 81 GLU H 1 81 GLU HG2 . . 3.940 3.708 3.420 3.945 0.005 9 0 "[ . 1 . 2]" 1
873 1 81 GLU H 1 81 GLU HG3 . . 3.940 3.752 3.477 3.927 . 0 0 "[ . 1 . 2]" 1
874 1 81 GLU H 1 82 GLY H . . 3.480 1.976 1.899 2.162 . 0 0 "[ . 1 . 2]" 1
875 1 81 GLU HA 1 81 GLU HG2 . . 3.850 2.158 2.024 2.300 . 0 0 "[ . 1 . 2]" 1
876 1 81 GLU HA 1 81 GLU HG3 . . 3.530 3.412 3.254 3.561 0.031 16 0 "[ . 1 . 2]" 1
877 1 81 GLU HB2 1 82 GLY H . . 4.490 2.696 2.460 2.929 . 0 0 "[ . 1 . 2]" 1
878 1 81 GLU HB3 1 82 GLY H . . 3.840 3.412 3.091 3.607 . 0 0 "[ . 1 . 2]" 1
879 1 82 GLY H 1 83 VAL H . . 5.050 4.350 4.163 4.443 . 0 0 "[ . 1 . 2]" 1
880 1 82 GLY H 1 83 VAL QG . . 4.800 4.237 4.010 4.391 . 0 0 "[ . 1 . 2]" 1
881 1 82 GLY QA 1 83 VAL H . . 2.990 2.317 2.238 2.334 . 0 0 "[ . 1 . 2]" 1
882 1 82 GLY QA 1 83 VAL QG . . 3.810 3.050 2.903 3.480 . 0 0 "[ . 1 . 2]" 1
883 1 83 VAL H 1 83 VAL HB . . 3.690 3.232 2.606 3.791 0.101 5 0 "[ . 1 . 2]" 1
884 1 83 VAL H 1 83 VAL QG . . 3.610 2.489 1.929 3.161 . 0 0 "[ . 1 . 2]" 1
885 1 83 VAL H 1 84 GLU H . . 5.220 4.440 4.364 4.490 . 0 0 "[ . 1 . 2]" 1
886 1 83 VAL HA 1 84 GLU H . . 3.130 2.395 2.270 2.505 . 0 0 "[ . 1 . 2]" 1
887 1 83 VAL HB 1 84 GLU H . . 4.080 3.274 2.407 4.075 . 0 0 "[ . 1 . 2]" 1
888 1 83 VAL QG 1 84 GLU H . . 3.490 2.615 1.881 3.328 . 0 0 "[ . 1 . 2]" 1
889 1 84 GLU H 1 84 GLU HB2 . . 3.900 2.931 2.775 3.974 0.074 1 0 "[ . 1 . 2]" 1
890 1 84 GLU H 1 84 GLU HB3 . . 3.890 3.395 3.136 3.761 . 0 0 "[ . 1 . 2]" 1
891 1 84 GLU H 1 85 GLN H . . 4.550 4.258 4.007 4.396 . 0 0 "[ . 1 . 2]" 1
892 1 84 GLU HA 1 85 GLN H . . 3.510 2.283 2.202 2.461 . 0 0 "[ . 1 . 2]" 1
893 1 84 GLU HB3 1 85 GLN H . . 4.470 3.554 2.722 4.135 . 0 0 "[ . 1 . 2]" 1
894 1 85 GLN H 1 85 GLN HB2 . . 3.930 2.623 2.351 3.022 . 0 0 "[ . 1 . 2]" 1
895 1 85 GLN H 1 85 GLN HB3 . . 3.460 2.535 2.339 2.744 . 0 0 "[ . 1 . 2]" 1
896 1 85 GLN H 1 85 GLN QG . . 4.560 4.006 3.911 4.121 . 0 0 "[ . 1 . 2]" 1
897 1 85 GLN H 1 86 VAL H . . 4.110 3.978 3.842 4.096 . 0 0 "[ . 1 . 2]" 1
898 1 85 GLN HA 1 85 GLN QG . . 3.450 2.298 2.127 2.514 . 0 0 "[ . 1 . 2]" 1
899 1 85 GLN HA 1 86 VAL H . . 3.060 2.359 2.282 2.423 . 0 0 "[ . 1 . 2]" 1
900 1 85 GLN HA 1 86 VAL QG . . 3.650 3.435 3.332 3.491 . 0 0 "[ . 1 . 2]" 1
901 1 85 GLN QG 1 86 VAL H . . 3.720 3.677 3.528 3.751 0.031 3 0 "[ . 1 . 2]" 1
902 1 86 VAL H 1 86 VAL HB . . 3.800 3.516 3.501 3.532 . 0 0 "[ . 1 . 2]" 1
903 1 86 VAL H 1 86 VAL QG . . 3.510 1.910 1.838 1.969 . 0 0 "[ . 1 . 2]" 1
904 1 89 PRO HB3 1 90 SER H . . 4.560 4.043 3.232 4.679 0.119 10 0 "[ . 1 . 2]" 1
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