Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611514 | 2n9k RC | 25909 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9k
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 1588
_Distance_constraint_stats_list.Viol_count 3752
_Distance_constraint_stats_list.Viol_total 3693.458
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0492
_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 1 MET 0.758 0.081 2 0 "[ . 1 . 2]"
1 2 GLY 1.829 0.093 20 0 "[ . 1 . 2]"
1 3 THR 2.244 0.074 7 0 "[ . 1 . 2]"
1 4 TYR 9.721 0.093 12 0 "[ . 1 . 2]"
1 5 LYS 5.937 0.098 13 0 "[ . 1 . 2]"
1 6 LEU 9.748 0.100 16 0 "[ . 1 . 2]"
1 7 ILE 7.692 0.091 15 0 "[ . 1 . 2]"
1 8 LEU 8.483 0.090 9 0 "[ . 1 . 2]"
1 9 ASN 10.372 0.090 9 0 "[ . 1 . 2]"
1 10 GLY 5.378 0.101 17 0 "[ . 1 . 2]"
1 11 LYS 4.272 0.099 5 0 "[ . 1 . 2]"
1 12 THR 4.046 0.093 10 0 "[ . 1 . 2]"
1 13 LEU 6.825 0.108 4 0 "[ . 1 . 2]"
1 14 LYS 4.800 0.094 12 0 "[ . 1 . 2]"
1 15 GLY 3.427 0.108 4 0 "[ . 1 . 2]"
1 16 GLU 2.633 0.079 18 0 "[ . 1 . 2]"
1 17 THR 6.969 0.100 2 0 "[ . 1 . 2]"
1 18 THR 6.600 0.098 13 0 "[ . 1 . 2]"
1 19 THR 5.508 0.116 13 0 "[ . 1 . 2]"
1 20 GLU 1.899 0.083 18 0 "[ . 1 . 2]"
1 21 ALA 5.126 0.098 8 0 "[ . 1 . 2]"
1 22 VAL 4.591 0.104 7 0 "[ . 1 . 2]"
1 23 ASP 4.286 0.077 10 0 "[ . 1 . 2]"
1 24 ALA 2.029 0.074 12 0 "[ . 1 . 2]"
1 25 ALA 3.625 0.104 7 0 "[ . 1 . 2]"
1 26 THR 4.095 0.093 3 0 "[ . 1 . 2]"
1 27 ALA 4.068 0.105 13 0 "[ . 1 . 2]"
1 28 GLU 3.601 0.081 19 0 "[ . 1 . 2]"
1 29 LYS 6.353 0.093 3 0 "[ . 1 . 2]"
1 30 VAL 9.745 0.105 13 0 "[ . 1 . 2]"
1 31 PHE 4.051 0.116 13 0 "[ . 1 . 2]"
1 32 LYS 9.407 0.078 15 0 "[ . 1 . 2]"
1 33 GLN 7.339 0.087 3 0 "[ . 1 . 2]"
1 34 TYR 14.025 0.103 11 0 "[ . 1 . 2]"
1 35 ALA 9.468 0.103 16 0 "[ . 1 . 2]"
1 36 ASN 8.580 0.096 15 0 "[ . 1 . 2]"
1 37 ASP 5.018 0.080 4 0 "[ . 1 . 2]"
1 38 ASN 7.393 0.103 16 0 "[ . 1 . 2]"
1 39 GLY 4.514 0.073 8 0 "[ . 1 . 2]"
1 40 VAL 11.385 0.101 17 0 "[ . 1 . 2]"
1 41 ASP 5.292 0.078 8 0 "[ . 1 . 2]"
1 42 GLY 5.677 0.078 8 0 "[ . 1 . 2]"
1 43 GLU 3.785 0.072 10 0 "[ . 1 . 2]"
1 44 TRP 15.084 0.091 3 0 "[ . 1 . 2]"
1 45 THR 6.654 0.101 19 0 "[ . 1 . 2]"
1 46 TYR 3.214 0.089 14 0 "[ . 1 . 2]"
1 47 ASP 2.727 0.070 2 0 "[ . 1 . 2]"
1 48 ASP 1.465 0.077 16 0 "[ . 1 . 2]"
1 49 ALA 4.189 0.092 13 0 "[ . 1 . 2]"
1 50 THR 5.293 0.092 13 0 "[ . 1 . 2]"
1 51 LYS 5.164 0.091 19 0 "[ . 1 . 2]"
1 52 THR 2.899 0.085 12 0 "[ . 1 . 2]"
1 53 PHE 8.196 0.100 16 0 "[ . 1 . 2]"
1 54 THR 6.183 0.101 19 0 "[ . 1 . 2]"
1 55 VAL 15.315 0.102 18 0 "[ . 1 . 2]"
1 56 THR 9.591 0.099 5 0 "[ . 1 . 2]"
1 57 GLU 11.117 0.102 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 GLY H . . 2.870 2.630 2.380 2.853 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 21 ALA H . . 4.750 4.555 4.313 4.792 0.042 10 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 22 VAL H . . 4.900 4.694 4.480 4.889 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 2 GLY H . . 3.510 3.164 2.880 3.413 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HB2 1 2 GLY H . . 4.140 3.846 3.715 4.009 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HB3 1 2 GLY H . . 4.140 3.374 3.000 3.721 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 21 ALA H . . 4.630 4.042 3.482 4.688 0.058 14 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 21 ALA HA . . 4.720 3.515 2.842 4.247 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 22 VAL H . . 4.230 3.449 2.871 4.227 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET ME 1 22 VAL QG . . 3.800 2.896 2.173 3.703 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET HG2 1 2 GLY H . . 4.280 2.174 1.678 2.621 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET HG2 1 20 GLU QB . . 4.440 4.345 3.977 4.521 0.081 2 0 "[ . 1 . 2]" 1
13 1 1 MET HG2 1 21 ALA H . . 5.370 5.104 4.723 5.426 0.056 9 0 "[ . 1 . 2]" 1
14 1 1 MET HG2 1 22 VAL QG . . 5.030 4.630 4.459 5.043 0.013 17 0 "[ . 1 . 2]" 1
15 1 1 MET HG3 1 2 GLY H . . 4.640 2.037 1.765 2.407 . 0 0 "[ . 1 . 2]" 1
16 1 1 MET HG3 1 20 GLU QB . . 4.980 4.250 3.903 4.606 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET HG3 1 21 ALA H . . 5.130 4.015 3.652 4.455 . 0 0 "[ . 1 . 2]" 1
18 1 1 MET HG3 1 22 VAL H . . 5.060 4.247 4.059 4.463 . 0 0 "[ . 1 . 2]" 1
19 1 1 MET HG3 1 22 VAL QG . . 5.160 3.743 3.334 4.356 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLY H 1 3 THR H . . 4.560 4.341 4.267 4.407 . 0 0 "[ . 1 . 2]" 1
21 1 2 GLY H 1 4 TYR QD . . 5.060 4.500 4.092 4.912 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLY H 1 4 TYR QE . . 4.100 3.769 2.979 4.166 0.066 1 0 "[ . 1 . 2]" 1
23 1 2 GLY H 1 20 GLU HA . . 4.650 4.317 4.040 4.581 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLY H 1 20 GLU QG . . 5.120 4.701 4.057 5.178 0.058 5 0 "[ . 1 . 2]" 1
25 1 2 GLY H 1 21 ALA H . . 3.820 3.569 3.093 3.869 0.049 16 0 "[ . 1 . 2]" 1
26 1 2 GLY H 1 21 ALA MB . . 5.320 4.819 4.302 5.134 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLY H 1 22 VAL HA . . 4.550 4.187 3.896 4.456 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLY H 1 22 VAL QG . . 5.440 5.200 4.878 5.515 0.075 17 0 "[ . 1 . 2]" 1
29 1 2 GLY H 1 51 LYS QE . . 5.500 5.236 4.344 5.591 0.091 19 0 "[ . 1 . 2]" 1
30 1 2 GLY QA 1 3 THR H . . 2.460 2.278 2.222 2.317 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLY QA 1 4 TYR H . . 5.340 5.197 4.886 5.420 0.080 10 0 "[ . 1 . 2]" 1
32 1 2 GLY QA 1 4 TYR QE . . 4.550 4.331 3.886 4.643 0.093 20 0 "[ . 1 . 2]" 1
33 1 2 GLY QA 1 21 ALA H . . 4.800 4.599 4.243 4.779 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLY QA 1 51 LYS QE . . 4.670 3.326 2.147 4.205 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLY HA2 1 3 THR H . . 2.910 2.563 2.436 2.693 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLY HA2 1 21 ALA H . . 5.450 5.128 4.613 5.365 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLY HA3 1 3 THR H . . 2.910 2.566 2.404 2.742 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLY HA3 1 21 ALA H . . 5.450 5.208 4.950 5.482 0.032 3 0 "[ . 1 . 2]" 1
39 1 3 THR H 1 3 THR HB . . 2.900 2.591 2.484 2.675 . 0 0 "[ . 1 . 2]" 1
40 1 3 THR H 1 3 THR MG . . 3.980 3.780 3.703 3.857 . 0 0 "[ . 1 . 2]" 1
41 1 3 THR H 1 4 TYR H . . 4.520 4.451 4.304 4.555 0.035 11 0 "[ . 1 . 2]" 1
42 1 3 THR H 1 4 TYR HA . . 5.500 5.287 4.934 5.552 0.052 14 0 "[ . 1 . 2]" 1
43 1 3 THR H 1 20 GLU HA . . 4.870 4.569 4.287 4.801 . 0 0 "[ . 1 . 2]" 1
44 1 3 THR H 1 20 GLU QB . . 5.500 5.206 4.756 5.561 0.061 4 0 "[ . 1 . 2]" 1
45 1 3 THR H 1 20 GLU QG . . 4.780 3.858 3.271 4.770 . 0 0 "[ . 1 . 2]" 1
46 1 3 THR H 1 21 ALA H . . 5.500 5.347 4.988 5.565 0.065 3 0 "[ . 1 . 2]" 1
47 1 3 THR H 1 51 LYS HD2 . . 5.490 4.728 3.507 5.557 0.067 9 0 "[ . 1 . 2]" 1
48 1 3 THR H 1 51 LYS HD3 . . 4.660 4.304 3.907 4.729 0.069 1 0 "[ . 1 . 2]" 1
49 1 3 THR H 1 51 LYS QE . . 5.380 4.684 2.285 5.454 0.074 7 0 "[ . 1 . 2]" 1
50 1 3 THR HA 1 4 TYR H . . 2.540 2.138 2.048 2.226 . 0 0 "[ . 1 . 2]" 1
51 1 3 THR HA 1 19 THR H . . 5.040 4.343 4.061 4.543 . 0 0 "[ . 1 . 2]" 1
52 1 3 THR HB 1 4 TYR H . . 4.100 4.111 3.861 4.170 0.070 7 0 "[ . 1 . 2]" 1
53 1 3 THR MG 1 4 TYR H . . 2.960 2.811 2.527 3.027 0.067 19 0 "[ . 1 . 2]" 1
54 1 3 THR MG 1 4 TYR HA . . 5.030 4.161 3.897 4.428 . 0 0 "[ . 1 . 2]" 1
55 1 3 THR MG 1 19 THR H . . 3.650 3.333 2.991 3.563 . 0 0 "[ . 1 . 2]" 1
56 1 3 THR MG 1 20 GLU H . . 4.790 4.383 4.128 4.637 . 0 0 "[ . 1 . 2]" 1
57 1 3 THR MG 1 20 GLU HA . . 4.550 3.590 3.355 3.902 . 0 0 "[ . 1 . 2]" 1
58 1 3 THR MG 1 20 GLU QG . . 4.040 2.455 2.167 2.928 . 0 0 "[ . 1 . 2]" 1
59 1 3 THR MG 1 21 ALA H . . 5.340 5.202 4.975 5.400 0.060 7 0 "[ . 1 . 2]" 1
60 1 4 TYR H 1 4 TYR HB2 . . 3.120 2.387 2.239 2.487 . 0 0 "[ . 1 . 2]" 1
61 1 4 TYR H 1 4 TYR HB3 . . 3.830 3.587 3.496 3.655 . 0 0 "[ . 1 . 2]" 1
62 1 4 TYR H 1 4 TYR QD . . 3.020 2.960 2.763 3.103 0.083 14 0 "[ . 1 . 2]" 1
63 1 4 TYR H 1 5 LYS HA . . 5.480 5.005 4.853 5.161 . 0 0 "[ . 1 . 2]" 1
64 1 4 TYR H 1 18 THR HA . . 5.220 4.689 4.530 4.824 . 0 0 "[ . 1 . 2]" 1
65 1 4 TYR H 1 18 THR HB . . 4.680 4.500 4.067 4.736 0.056 1 0 "[ . 1 . 2]" 1
66 1 4 TYR H 1 19 THR H . . 3.370 2.944 2.834 3.047 . 0 0 "[ . 1 . 2]" 1
67 1 4 TYR H 1 19 THR MG . . 3.780 3.695 3.554 3.837 0.057 12 0 "[ . 1 . 2]" 1
68 1 4 TYR H 1 20 GLU H . . 5.180 4.780 4.660 4.861 . 0 0 "[ . 1 . 2]" 1
69 1 4 TYR H 1 20 GLU HA . . 3.490 3.013 2.925 3.172 . 0 0 "[ . 1 . 2]" 1
70 1 4 TYR H 1 20 GLU QB . . 5.140 4.996 4.865 5.138 . 0 0 "[ . 1 . 2]" 1
71 1 4 TYR H 1 20 GLU QG . . 4.640 3.946 3.630 4.475 . 0 0 "[ . 1 . 2]" 1
72 1 4 TYR H 1 21 ALA MB . . 4.530 4.502 4.166 4.616 0.086 10 0 "[ . 1 . 2]" 1
73 1 4 TYR H 1 31 PHE QE . . 5.140 4.870 4.709 4.964 . 0 0 "[ . 1 . 2]" 1
74 1 4 TYR H 1 51 LYS QB . . 5.500 4.986 4.575 5.564 0.064 16 0 "[ . 1 . 2]" 1
75 1 4 TYR HA 1 4 TYR QD . . 3.970 2.877 2.720 3.225 . 0 0 "[ . 1 . 2]" 1
76 1 4 TYR HA 1 5 LYS H . . 2.450 2.392 2.311 2.480 0.030 17 0 "[ . 1 . 2]" 1
77 1 4 TYR HA 1 19 THR H . . 4.810 4.828 4.715 4.862 0.052 8 0 "[ . 1 . 2]" 1
78 1 4 TYR HA 1 19 THR MG . . 5.190 5.174 5.038 5.281 0.091 13 0 "[ . 1 . 2]" 1
79 1 4 TYR HA 1 27 ALA MB . . 5.500 4.734 4.481 4.962 . 0 0 "[ . 1 . 2]" 1
80 1 4 TYR HA 1 51 LYS QB . . 3.490 2.753 2.382 3.276 . 0 0 "[ . 1 . 2]" 1
81 1 4 TYR HA 1 51 LYS HG2 . . 5.500 5.211 4.514 5.565 0.065 8 0 "[ . 1 . 2]" 1
82 1 4 TYR HA 1 51 LYS HG3 . . 5.500 4.844 2.878 5.556 0.056 1 0 "[ . 1 . 2]" 1
83 1 4 TYR HB2 1 5 LYS H . . 4.840 3.920 3.745 4.148 . 0 0 "[ . 1 . 2]" 1
84 1 4 TYR HB2 1 19 THR H . . 3.940 3.454 3.328 3.572 . 0 0 "[ . 1 . 2]" 1
85 1 4 TYR HB2 1 19 THR MG . . 3.560 2.732 2.520 2.918 . 0 0 "[ . 1 . 2]" 1
86 1 4 TYR HB2 1 21 ALA H . . 5.170 4.014 3.893 4.086 . 0 0 "[ . 1 . 2]" 1
87 1 4 TYR HB2 1 27 ALA MB . . 3.510 2.913 2.614 3.228 . 0 0 "[ . 1 . 2]" 1
88 1 4 TYR HB2 1 31 PHE QE . . 4.480 3.179 2.535 3.494 . 0 0 "[ . 1 . 2]" 1
89 1 4 TYR HB3 1 5 LYS H . . 3.150 2.705 2.539 3.040 . 0 0 "[ . 1 . 2]" 1
90 1 4 TYR HB3 1 19 THR H . . 4.510 4.465 4.302 4.569 0.059 7 0 "[ . 1 . 2]" 1
91 1 4 TYR HB3 1 19 THR MG . . 4.190 3.774 3.459 3.959 . 0 0 "[ . 1 . 2]" 1
92 1 4 TYR HB3 1 21 ALA H . . 5.490 5.541 5.431 5.557 0.067 12 0 "[ . 1 . 2]" 1
93 1 4 TYR HB3 1 27 ALA MB . . 3.620 2.858 2.521 3.066 . 0 0 "[ . 1 . 2]" 1
94 1 4 TYR HB3 1 31 PHE QE . . 4.020 2.131 2.034 2.254 . 0 0 "[ . 1 . 2]" 1
95 1 4 TYR HB3 1 51 LYS QB . . 5.150 4.201 3.700 4.505 . 0 0 "[ . 1 . 2]" 1
96 1 4 TYR QD 1 5 LYS H . . 3.840 3.569 3.366 3.884 0.044 9 0 "[ . 1 . 2]" 1
97 1 4 TYR QD 1 19 THR MG . . 4.240 3.811 3.475 4.042 . 0 0 "[ . 1 . 2]" 1
98 1 4 TYR QD 1 21 ALA H . . 3.220 2.093 1.952 2.244 . 0 0 "[ . 1 . 2]" 1
99 1 4 TYR QD 1 21 ALA MB . . 3.550 2.323 2.244 2.521 . 0 0 "[ . 1 . 2]" 1
100 1 4 TYR QD 1 22 VAL H . . 5.500 5.576 5.560 5.588 0.088 3 0 "[ . 1 . 2]" 1
101 1 4 TYR QD 1 27 ALA HA . . 5.280 4.615 4.339 4.921 . 0 0 "[ . 1 . 2]" 1
102 1 4 TYR QD 1 27 ALA MB . . 3.430 2.840 2.700 2.999 . 0 0 "[ . 1 . 2]" 1
103 1 4 TYR QD 1 46 TYR QE . . 4.580 2.818 2.444 3.638 . 0 0 "[ . 1 . 2]" 1
104 1 4 TYR QD 1 51 LYS HA . . 4.830 3.697 3.234 3.940 . 0 0 "[ . 1 . 2]" 1
105 1 4 TYR QD 1 51 LYS QB . . 3.850 2.652 2.263 2.960 . 0 0 "[ . 1 . 2]" 1
106 1 4 TYR QD 1 53 PHE H . . 5.380 5.400 5.228 5.464 0.084 3 0 "[ . 1 . 2]" 1
107 1 4 TYR QE 1 19 THR MG . . 5.500 5.443 5.137 5.593 0.093 12 0 "[ . 1 . 2]" 1
108 1 4 TYR QE 1 21 ALA H . . 3.520 3.193 2.900 3.545 0.025 5 0 "[ . 1 . 2]" 1
109 1 4 TYR QE 1 21 ALA MB . . 3.960 2.572 2.259 2.969 . 0 0 "[ . 1 . 2]" 1
110 1 4 TYR QE 1 22 VAL H . . 5.100 4.924 4.715 5.167 0.067 16 0 "[ . 1 . 2]" 1
111 1 4 TYR QE 1 24 ALA H . . 4.760 4.350 3.885 4.740 . 0 0 "[ . 1 . 2]" 1
112 1 4 TYR QE 1 24 ALA HA . . 4.770 3.249 2.690 3.815 . 0 0 "[ . 1 . 2]" 1
113 1 4 TYR QE 1 24 ALA MB . . 4.250 3.087 2.472 3.931 . 0 0 "[ . 1 . 2]" 1
114 1 4 TYR QE 1 27 ALA MB . . 4.030 3.185 2.917 3.506 . 0 0 "[ . 1 . 2]" 1
115 1 4 TYR QE 1 51 LYS HA . . 4.840 3.930 3.589 4.403 . 0 0 "[ . 1 . 2]" 1
116 1 4 TYR QE 1 51 LYS QB . . 5.110 3.097 2.421 3.686 . 0 0 "[ . 1 . 2]" 1
117 1 4 TYR QE 1 51 LYS QE . . 5.090 3.426 2.380 4.831 . 0 0 "[ . 1 . 2]" 1
118 1 5 LYS H 1 5 LYS HB2 . . 3.260 3.079 2.899 3.216 . 0 0 "[ . 1 . 2]" 1
119 1 5 LYS H 1 5 LYS HB3 . . 2.990 2.664 2.539 2.814 . 0 0 "[ . 1 . 2]" 1
120 1 5 LYS H 1 5 LYS HG2 . . 5.090 4.499 4.370 4.604 . 0 0 "[ . 1 . 2]" 1
121 1 5 LYS H 1 5 LYS QG . . 4.370 4.131 4.006 4.221 . 0 0 "[ . 1 . 2]" 1
122 1 5 LYS H 1 5 LYS HG3 . . 5.090 4.813 4.648 4.964 . 0 0 "[ . 1 . 2]" 1
123 1 5 LYS H 1 6 LEU H . . 4.490 4.444 4.385 4.515 0.025 13 0 "[ . 1 . 2]" 1
124 1 5 LYS H 1 6 LEU HA . . 5.060 4.901 4.811 4.963 . 0 0 "[ . 1 . 2]" 1
125 1 5 LYS H 1 6 LEU HB2 . . 5.500 5.499 5.359 5.561 0.061 7 0 "[ . 1 . 2]" 1
126 1 5 LYS H 1 18 THR HA . . 4.650 4.694 4.645 4.715 0.065 8 0 "[ . 1 . 2]" 1
127 1 5 LYS H 1 18 THR MG . . 4.780 4.257 4.061 4.454 . 0 0 "[ . 1 . 2]" 1
128 1 5 LYS H 1 31 PHE QE . . 4.380 3.230 2.826 4.000 . 0 0 "[ . 1 . 2]" 1
129 1 5 LYS H 1 46 TYR QE . . 5.500 5.210 4.739 5.569 0.069 18 0 "[ . 1 . 2]" 1
130 1 5 LYS H 1 51 LYS QB . . 4.950 4.013 3.619 4.439 . 0 0 "[ . 1 . 2]" 1
131 1 5 LYS H 1 52 THR H . . 5.290 4.724 4.654 4.843 . 0 0 "[ . 1 . 2]" 1
132 1 5 LYS H 1 52 THR HA . . 2.870 2.385 2.290 2.479 . 0 0 "[ . 1 . 2]" 1
133 1 5 LYS H 1 52 THR MG . . 3.850 3.884 3.697 3.929 0.079 17 0 "[ . 1 . 2]" 1
134 1 5 LYS H 1 53 PHE H . . 3.990 3.841 3.655 3.991 0.001 19 0 "[ . 1 . 2]" 1
135 1 5 LYS H 1 53 PHE QD . . 4.360 3.738 3.461 4.061 . 0 0 "[ . 1 . 2]" 1
136 1 5 LYS HA 1 5 LYS QD . . 4.570 4.145 3.749 4.351 . 0 0 "[ . 1 . 2]" 1
137 1 5 LYS HA 1 5 LYS QE . . 5.040 4.584 3.998 5.048 0.008 19 0 "[ . 1 . 2]" 1
138 1 5 LYS HA 1 5 LYS HG2 . . 4.150 2.909 2.277 3.252 . 0 0 "[ . 1 . 2]" 1
139 1 5 LYS HA 1 5 LYS QG . . 3.500 2.476 2.233 2.573 . 0 0 "[ . 1 . 2]" 1
140 1 5 LYS HA 1 5 LYS HG3 . . 4.150 2.774 2.469 3.218 . 0 0 "[ . 1 . 2]" 1
141 1 5 LYS HA 1 6 LEU H . . 2.400 2.256 2.223 2.299 . 0 0 "[ . 1 . 2]" 1
142 1 5 LYS HA 1 6 LEU HB3 . . 4.520 4.399 4.325 4.498 . 0 0 "[ . 1 . 2]" 1
143 1 5 LYS HA 1 17 THR H . . 4.840 4.530 4.360 4.766 . 0 0 "[ . 1 . 2]" 1
144 1 5 LYS HA 1 18 THR H . . 4.740 4.750 4.706 4.786 0.046 13 0 "[ . 1 . 2]" 1
145 1 5 LYS HA 1 18 THR HA . . 3.120 2.174 2.140 2.217 . 0 0 "[ . 1 . 2]" 1
146 1 5 LYS HA 1 18 THR HB . . 4.300 3.997 3.779 4.206 . 0 0 "[ . 1 . 2]" 1
147 1 5 LYS HA 1 18 THR MG . . 3.270 2.264 2.189 2.354 . 0 0 "[ . 1 . 2]" 1
148 1 5 LYS HA 1 19 THR H . . 3.720 3.707 3.623 3.781 0.061 16 0 "[ . 1 . 2]" 1
149 1 5 LYS HA 1 19 THR MG . . 4.990 4.879 4.677 5.073 0.083 9 0 "[ . 1 . 2]" 1
150 1 5 LYS HA 1 31 PHE HZ . . 4.280 2.783 2.407 3.630 . 0 0 "[ . 1 . 2]" 1
151 1 5 LYS HA 1 53 PHE H . . 5.420 5.073 4.986 5.198 . 0 0 "[ . 1 . 2]" 1
152 1 5 LYS HB2 1 5 LYS QD . . 3.470 2.924 2.333 3.462 . 0 0 "[ . 1 . 2]" 1
153 1 5 LYS HB2 1 5 LYS HE2 . . 5.030 3.688 2.203 4.910 . 0 0 "[ . 1 . 2]" 1
154 1 5 LYS HB2 1 5 LYS QE . . 4.170 3.147 2.190 4.211 0.041 9 0 "[ . 1 . 2]" 1
155 1 5 LYS HB2 1 5 LYS HE3 . . 5.030 3.816 2.643 4.948 . 0 0 "[ . 1 . 2]" 1
156 1 5 LYS HB2 1 6 LEU H . . 4.120 4.104 3.984 4.177 0.057 19 0 "[ . 1 . 2]" 1
157 1 5 LYS HB2 1 18 THR HA . . 4.910 4.118 3.847 4.409 . 0 0 "[ . 1 . 2]" 1
158 1 5 LYS HB2 1 18 THR MG . . 4.000 2.339 2.094 2.608 . 0 0 "[ . 1 . 2]" 1
159 1 5 LYS HB2 1 19 THR H . . 5.500 5.333 5.133 5.526 0.026 7 0 "[ . 1 . 2]" 1
160 1 5 LYS HB2 1 52 THR HA . . 4.510 4.091 3.931 4.243 . 0 0 "[ . 1 . 2]" 1
161 1 5 LYS HB2 1 52 THR MG . . 4.140 3.856 3.713 4.025 . 0 0 "[ . 1 . 2]" 1
162 1 5 LYS HB2 1 53 PHE H . . 5.500 5.488 5.382 5.572 0.072 16 0 "[ . 1 . 2]" 1
163 1 5 LYS HB3 1 5 LYS QD . . 3.520 2.470 2.263 3.166 . 0 0 "[ . 1 . 2]" 1
164 1 5 LYS HB3 1 5 LYS HE2 . . 4.960 3.774 2.150 4.725 . 0 0 "[ . 1 . 2]" 1
165 1 5 LYS HB3 1 5 LYS QE . . 4.290 3.271 2.138 4.117 . 0 0 "[ . 1 . 2]" 1
166 1 5 LYS HB3 1 5 LYS HE3 . . 4.960 3.922 2.219 4.721 . 0 0 "[ . 1 . 2]" 1
167 1 5 LYS HB3 1 6 LEU H . . 4.150 3.907 3.710 4.034 . 0 0 "[ . 1 . 2]" 1
168 1 5 LYS HB3 1 7 ILE MD . . 5.040 4.610 4.405 4.888 . 0 0 "[ . 1 . 2]" 1
169 1 5 LYS HB3 1 18 THR HA . . 5.290 5.107 4.995 5.215 . 0 0 "[ . 1 . 2]" 1
170 1 5 LYS HB3 1 18 THR MG . . 4.420 3.698 3.538 3.848 . 0 0 "[ . 1 . 2]" 1
171 1 5 LYS HB3 1 52 THR HA . . 3.800 2.630 2.415 2.955 . 0 0 "[ . 1 . 2]" 1
172 1 5 LYS HB3 1 52 THR MG . . 3.920 2.368 2.213 2.494 . 0 0 "[ . 1 . 2]" 1
173 1 5 LYS HB3 1 53 PHE H . . 4.250 3.950 3.786 4.131 . 0 0 "[ . 1 . 2]" 1
174 1 5 LYS QD 1 6 LEU H . . 4.290 4.083 3.102 4.361 0.071 1 0 "[ . 1 . 2]" 1
175 1 5 LYS QD 1 7 ILE H . . 5.500 5.210 4.206 5.583 0.083 18 0 "[ . 1 . 2]" 1
176 1 5 LYS QD 1 7 ILE MD . . 3.840 2.749 2.367 3.369 . 0 0 "[ . 1 . 2]" 1
177 1 5 LYS QD 1 7 ILE QG . . 4.370 2.703 2.126 3.339 . 0 0 "[ . 1 . 2]" 1
178 1 5 LYS QD 1 17 THR H . . 5.500 4.915 3.614 5.578 0.078 18 0 "[ . 1 . 2]" 1
179 1 5 LYS QE 1 6 LEU H . . 5.340 4.839 4.063 5.382 0.042 16 0 "[ . 1 . 2]" 1
180 1 5 LYS QE 1 7 ILE MD . . 4.300 3.497 2.189 4.319 0.019 10 0 "[ . 1 . 2]" 1
181 1 5 LYS QE 1 7 ILE QG . . 4.570 3.665 1.973 4.568 . 0 0 "[ . 1 . 2]" 1
182 1 5 LYS QE 1 18 THR MG . . 4.180 3.412 2.083 4.278 0.098 13 0 "[ . 1 . 2]" 1
183 1 5 LYS HE2 1 7 ILE MD . . 5.150 4.096 2.675 5.139 . 0 0 "[ . 1 . 2]" 1
184 1 5 LYS HE2 1 18 THR MG . . 5.010 4.074 2.957 4.987 . 0 0 "[ . 1 . 2]" 1
185 1 5 LYS HE3 1 7 ILE MD . . 5.150 4.036 2.258 5.218 0.068 10 0 "[ . 1 . 2]" 1
186 1 5 LYS HE3 1 18 THR MG . . 5.010 3.992 2.099 5.079 0.069 20 0 "[ . 1 . 2]" 1
187 1 5 LYS QG 1 6 LEU H . . 3.000 2.263 2.030 2.389 . 0 0 "[ . 1 . 2]" 1
188 1 5 LYS QG 1 16 GLU HA . . 5.340 4.504 4.285 4.894 . 0 0 "[ . 1 . 2]" 1
189 1 5 LYS QG 1 16 GLU QG . . 4.690 3.966 3.604 4.417 . 0 0 "[ . 1 . 2]" 1
190 1 5 LYS QG 1 17 THR H . . 3.970 3.446 3.136 3.798 . 0 0 "[ . 1 . 2]" 1
191 1 5 LYS QG 1 18 THR MG . . 3.730 2.156 2.013 2.344 . 0 0 "[ . 1 . 2]" 1
192 1 5 LYS HG2 1 6 LEU H . . 3.760 2.383 2.041 2.751 . 0 0 "[ . 1 . 2]" 1
193 1 5 LYS HG2 1 18 THR HA . . 5.120 4.589 3.561 5.043 . 0 0 "[ . 1 . 2]" 1
194 1 5 LYS HG3 1 6 LEU H . . 3.760 3.102 2.425 3.820 0.060 8 0 "[ . 1 . 2]" 1
195 1 5 LYS HG3 1 18 THR HA . . 5.120 3.988 3.670 4.367 . 0 0 "[ . 1 . 2]" 1
196 1 6 LEU H 1 6 LEU HB2 . . 3.530 3.184 3.085 3.302 . 0 0 "[ . 1 . 2]" 1
197 1 6 LEU H 1 6 LEU HB3 . . 2.770 2.522 2.453 2.609 . 0 0 "[ . 1 . 2]" 1
198 1 6 LEU H 1 6 LEU MD1 . . 4.990 4.436 4.388 4.481 . 0 0 "[ . 1 . 2]" 1
199 1 6 LEU H 1 6 LEU QD . . 4.290 3.960 3.925 3.988 . 0 0 "[ . 1 . 2]" 1
200 1 6 LEU H 1 6 LEU MD2 . . 4.990 4.454 4.399 4.506 . 0 0 "[ . 1 . 2]" 1
201 1 6 LEU H 1 6 LEU HG . . 4.710 4.360 4.291 4.421 . 0 0 "[ . 1 . 2]" 1
202 1 6 LEU H 1 7 ILE H . . 4.490 4.315 4.225 4.389 . 0 0 "[ . 1 . 2]" 1
203 1 6 LEU H 1 7 ILE HA . . 5.040 4.875 4.794 4.991 . 0 0 "[ . 1 . 2]" 1
204 1 6 LEU H 1 16 GLU HA . . 4.790 4.436 4.341 4.591 . 0 0 "[ . 1 . 2]" 1
205 1 6 LEU H 1 16 GLU QG . . 4.850 4.904 4.853 4.929 0.079 18 0 "[ . 1 . 2]" 1
206 1 6 LEU H 1 17 THR H . . 3.080 2.774 2.586 2.952 . 0 0 "[ . 1 . 2]" 1
207 1 6 LEU H 1 17 THR HA . . 4.760 4.787 4.697 4.835 0.075 13 0 "[ . 1 . 2]" 1
208 1 6 LEU H 1 17 THR HB . . 5.500 5.382 5.321 5.489 . 0 0 "[ . 1 . 2]" 1
209 1 6 LEU H 1 17 THR MG . . 3.260 3.295 3.165 3.347 0.087 8 0 "[ . 1 . 2]" 1
210 1 6 LEU H 1 18 THR H . . 4.940 4.903 4.854 4.933 . 0 0 "[ . 1 . 2]" 1
211 1 6 LEU H 1 18 THR HA . . 3.360 3.424 3.411 3.432 0.072 2 0 "[ . 1 . 2]" 1
212 1 6 LEU H 1 18 THR MG . . 3.490 3.541 3.451 3.562 0.072 15 0 "[ . 1 . 2]" 1
213 1 6 LEU H 1 31 PHE QE . . 4.350 3.871 3.709 4.399 0.049 13 0 "[ . 1 . 2]" 1
214 1 6 LEU H 1 31 PHE HZ . . 4.420 3.724 3.276 4.455 0.035 13 0 "[ . 1 . 2]" 1
215 1 6 LEU H 1 52 THR HA . . 5.450 5.096 5.027 5.191 . 0 0 "[ . 1 . 2]" 1
216 1 6 LEU H 1 52 THR MG . . 4.210 4.057 3.815 4.232 0.022 15 0 "[ . 1 . 2]" 1
217 1 6 LEU H 1 53 PHE H . . 4.750 4.674 4.584 4.776 0.026 7 0 "[ . 1 . 2]" 1
218 1 6 LEU HA 1 7 ILE H . . 2.560 2.129 2.058 2.186 . 0 0 "[ . 1 . 2]" 1
219 1 6 LEU HA 1 17 THR H . . 5.010 4.858 4.730 4.981 . 0 0 "[ . 1 . 2]" 1
220 1 6 LEU HA 1 53 PHE H . . 3.370 2.719 2.625 2.796 . 0 0 "[ . 1 . 2]" 1
221 1 6 LEU HB2 1 6 LEU MD1 . . 3.590 2.379 2.302 2.477 . 0 0 "[ . 1 . 2]" 1
222 1 6 LEU HB2 1 6 LEU MD2 . . 3.590 2.373 2.326 2.444 . 0 0 "[ . 1 . 2]" 1
223 1 6 LEU HB2 1 7 ILE H . . 4.450 4.049 3.950 4.153 . 0 0 "[ . 1 . 2]" 1
224 1 6 LEU HB2 1 17 THR H . . 4.940 4.706 4.470 4.982 0.042 13 0 "[ . 1 . 2]" 1
225 1 6 LEU HB2 1 17 THR MG . . 3.870 3.163 2.914 3.304 . 0 0 "[ . 1 . 2]" 1
226 1 6 LEU HB2 1 31 PHE HB3 . . 5.010 3.050 2.845 3.236 . 0 0 "[ . 1 . 2]" 1
227 1 6 LEU HB2 1 53 PHE H . . 4.700 4.582 4.322 4.676 . 0 0 "[ . 1 . 2]" 1
228 1 6 LEU HB3 1 6 LEU MD1 . . 3.580 3.250 3.232 3.268 . 0 0 "[ . 1 . 2]" 1
229 1 6 LEU HB3 1 6 LEU QD . . 2.900 2.310 2.281 2.335 . 0 0 "[ . 1 . 2]" 1
230 1 6 LEU HB3 1 6 LEU MD2 . . 3.580 2.364 2.332 2.393 . 0 0 "[ . 1 . 2]" 1
231 1 6 LEU HB3 1 17 THR H . . 3.380 3.088 2.881 3.381 0.001 13 0 "[ . 1 . 2]" 1
232 1 6 LEU HB3 1 17 THR MG . . 3.180 2.016 1.941 2.086 . 0 0 "[ . 1 . 2]" 1
233 1 6 LEU HB3 1 18 THR H . . 5.500 5.476 5.308 5.557 0.057 10 0 "[ . 1 . 2]" 1
234 1 6 LEU HB3 1 53 PHE H . . 5.500 5.542 5.466 5.566 0.066 15 0 "[ . 1 . 2]" 1
235 1 6 LEU QD 1 7 ILE H . . 2.680 2.053 1.943 2.281 . 0 0 "[ . 1 . 2]" 1
236 1 6 LEU QD 1 7 ILE HB . . 4.800 4.146 4.077 4.217 . 0 0 "[ . 1 . 2]" 1
237 1 6 LEU QD 1 8 LEU H . . 4.210 4.051 3.925 4.204 . 0 0 "[ . 1 . 2]" 1
238 1 6 LEU QD 1 8 LEU HA . . 4.870 3.594 3.501 3.711 . 0 0 "[ . 1 . 2]" 1
239 1 6 LEU QD 1 8 LEU HB2 . . 5.260 4.583 4.465 4.679 . 0 0 "[ . 1 . 2]" 1
240 1 6 LEU QD 1 8 LEU QD . . 3.880 1.978 1.921 2.121 . 0 0 "[ . 1 . 2]" 1
241 1 6 LEU QD 1 8 LEU HG . . 3.740 2.759 2.503 2.924 . 0 0 "[ . 1 . 2]" 1
242 1 6 LEU QD 1 9 ASN H . . 5.150 4.846 4.748 4.987 . 0 0 "[ . 1 . 2]" 1
243 1 6 LEU QD 1 17 THR H . . 4.430 4.160 3.930 4.286 . 0 0 "[ . 1 . 2]" 1
244 1 6 LEU QD 1 17 THR MG . . 2.910 2.211 2.138 2.287 . 0 0 "[ . 1 . 2]" 1
245 1 6 LEU QD 1 31 PHE H . . 4.910 4.370 4.244 4.454 . 0 0 "[ . 1 . 2]" 1
246 1 6 LEU QD 1 31 PHE HA . . 5.090 2.518 2.343 2.652 . 0 0 "[ . 1 . 2]" 1
247 1 6 LEU QD 1 31 PHE HB3 . . 3.130 1.991 1.954 2.032 . 0 0 "[ . 1 . 2]" 1
248 1 6 LEU QD 1 31 PHE QD . . 4.200 2.469 2.326 2.603 . 0 0 "[ . 1 . 2]" 1
249 1 6 LEU QD 1 34 TYR H . . 4.430 4.340 4.183 4.483 0.053 9 0 "[ . 1 . 2]" 1
250 1 6 LEU QD 1 34 TYR QB . . 4.040 2.633 2.352 2.943 . 0 0 "[ . 1 . 2]" 1
251 1 6 LEU QD 1 34 TYR QD . . 3.270 2.516 2.161 2.985 . 0 0 "[ . 1 . 2]" 1
252 1 6 LEU QD 1 34 TYR QE . . 4.600 3.919 3.202 4.368 . 0 0 "[ . 1 . 2]" 1
253 1 6 LEU QD 1 35 ALA H . . 3.700 3.189 3.089 3.324 . 0 0 "[ . 1 . 2]" 1
254 1 6 LEU QD 1 35 ALA HA . . 5.040 3.481 3.352 3.548 . 0 0 "[ . 1 . 2]" 1
255 1 6 LEU QD 1 35 ALA MB . . 3.450 2.274 2.125 2.487 . 0 0 "[ . 1 . 2]" 1
256 1 6 LEU QD 1 36 ASN H . . 5.440 5.052 4.981 5.134 . 0 0 "[ . 1 . 2]" 1
257 1 6 LEU QD 1 44 TRP HE3 . . 4.760 3.356 3.217 3.503 . 0 0 "[ . 1 . 2]" 1
258 1 6 LEU QD 1 44 TRP HH2 . . 3.240 2.708 2.565 2.821 . 0 0 "[ . 1 . 2]" 1
259 1 6 LEU QD 1 44 TRP HZ3 . . 3.430 2.098 2.009 2.183 . 0 0 "[ . 1 . 2]" 1
260 1 6 LEU QD 1 45 THR H . . 5.440 5.212 5.074 5.324 . 0 0 "[ . 1 . 2]" 1
261 1 6 LEU QD 1 53 PHE H . . 4.470 3.835 3.625 3.986 . 0 0 "[ . 1 . 2]" 1
262 1 6 LEU QD 1 53 PHE HA . . 4.720 4.436 4.320 4.585 . 0 0 "[ . 1 . 2]" 1
263 1 6 LEU QD 1 53 PHE HB2 . . 3.350 2.525 2.353 2.706 . 0 0 "[ . 1 . 2]" 1
264 1 6 LEU QD 1 53 PHE HB3 . . 3.290 2.961 2.683 3.390 0.100 16 0 "[ . 1 . 2]" 1
265 1 6 LEU QD 1 53 PHE QD . . 4.900 3.905 3.554 4.056 . 0 0 "[ . 1 . 2]" 1
266 1 6 LEU QD 1 54 THR H . . 4.600 4.083 3.999 4.229 . 0 0 "[ . 1 . 2]" 1
267 1 6 LEU QD 1 54 THR HA . . 3.760 2.995 2.875 3.194 . 0 0 "[ . 1 . 2]" 1
268 1 6 LEU QD 1 55 VAL H . . 3.230 3.281 3.097 3.321 0.091 11 0 "[ . 1 . 2]" 1
269 1 6 LEU QD 1 55 VAL HA . . 5.070 4.617 4.508 4.691 . 0 0 "[ . 1 . 2]" 1
270 1 6 LEU QD 1 55 VAL HB . . 4.040 3.207 3.031 3.326 . 0 0 "[ . 1 . 2]" 1
271 1 6 LEU QD 1 55 VAL MG1 . . 2.960 2.224 2.119 2.362 . 0 0 "[ . 1 . 2]" 1
272 1 6 LEU QD 1 55 VAL MG2 . . 4.250 4.025 3.912 4.130 . 0 0 "[ . 1 . 2]" 1
273 1 6 LEU MD1 1 8 LEU H . . 5.500 4.467 4.308 4.667 . 0 0 "[ . 1 . 2]" 1
274 1 6 LEU MD1 1 31 PHE HB2 . . 4.150 3.523 3.434 3.694 . 0 0 "[ . 1 . 2]" 1
275 1 6 LEU MD1 1 31 PHE HB3 . . 3.710 2.313 2.240 2.516 . 0 0 "[ . 1 . 2]" 1
276 1 6 LEU MD1 1 35 ALA MB . . 3.970 3.202 3.066 3.326 . 0 0 "[ . 1 . 2]" 1
277 1 6 LEU MD1 1 44 TRP HH2 . . 3.820 3.171 3.071 3.311 . 0 0 "[ . 1 . 2]" 1
278 1 6 LEU MD1 1 44 TRP HZ2 . . 5.230 4.741 4.575 4.851 . 0 0 "[ . 1 . 2]" 1
279 1 6 LEU MD1 1 55 VAL MG2 . . 5.330 4.225 4.109 4.340 . 0 0 "[ . 1 . 2]" 1
280 1 6 LEU MD2 1 8 LEU H . . 5.500 4.643 4.457 4.816 . 0 0 "[ . 1 . 2]" 1
281 1 6 LEU MD2 1 31 PHE HB2 . . 4.150 3.646 3.589 3.707 . 0 0 "[ . 1 . 2]" 1
282 1 6 LEU MD2 1 31 PHE HB3 . . 3.710 2.177 2.105 2.232 . 0 0 "[ . 1 . 2]" 1
283 1 6 LEU MD2 1 35 ALA MB . . 3.970 2.330 2.155 2.599 . 0 0 "[ . 1 . 2]" 1
284 1 6 LEU MD2 1 44 TRP HH2 . . 3.820 2.941 2.719 3.056 . 0 0 "[ . 1 . 2]" 1
285 1 6 LEU MD2 1 44 TRP HZ2 . . 5.230 4.854 4.574 5.010 . 0 0 "[ . 1 . 2]" 1
286 1 6 LEU MD2 1 55 VAL MG2 . . 5.330 5.065 4.886 5.244 . 0 0 "[ . 1 . 2]" 1
287 1 6 LEU HG 1 7 ILE H . . 3.500 2.947 2.766 3.144 . 0 0 "[ . 1 . 2]" 1
288 1 6 LEU HG 1 8 LEU HB2 . . 4.880 4.753 4.589 4.917 0.037 13 0 "[ . 1 . 2]" 1
289 1 6 LEU HG 1 8 LEU HG . . 4.750 2.528 2.313 2.731 . 0 0 "[ . 1 . 2]" 1
290 1 6 LEU HG 1 16 GLU HA . . 4.960 4.199 4.014 4.510 . 0 0 "[ . 1 . 2]" 1
291 1 6 LEU HG 1 17 THR H . . 4.910 4.310 4.032 4.468 . 0 0 "[ . 1 . 2]" 1
292 1 6 LEU HG 1 17 THR MG . . 4.210 3.356 3.179 3.520 . 0 0 "[ . 1 . 2]" 1
293 1 6 LEU HG 1 34 TYR QD . . 5.190 4.747 4.369 5.256 0.066 16 0 "[ . 1 . 2]" 1
294 1 6 LEU HG 1 55 VAL H . . 5.410 4.837 4.481 5.028 . 0 0 "[ . 1 . 2]" 1
295 1 6 LEU HG 1 55 VAL MG1 . . 4.020 3.533 3.297 3.716 . 0 0 "[ . 1 . 2]" 1
296 1 7 ILE H 1 7 ILE HB . . 2.740 2.635 2.566 2.719 . 0 0 "[ . 1 . 2]" 1
297 1 7 ILE H 1 7 ILE MD . . 4.520 4.118 3.970 4.215 . 0 0 "[ . 1 . 2]" 1
298 1 7 ILE H 1 7 ILE HG12 . . 3.860 3.883 3.688 3.919 0.059 17 0 "[ . 1 . 2]" 1
299 1 7 ILE H 1 7 ILE QG . . 3.040 2.778 2.561 2.857 . 0 0 "[ . 1 . 2]" 1
300 1 7 ILE H 1 7 ILE HG13 . . 3.860 2.846 2.612 2.937 . 0 0 "[ . 1 . 2]" 1
301 1 7 ILE H 1 7 ILE MG . . 4.130 3.876 3.837 3.916 . 0 0 "[ . 1 . 2]" 1
302 1 7 ILE H 1 8 LEU H . . 4.240 4.110 4.005 4.255 0.015 18 0 "[ . 1 . 2]" 1
303 1 7 ILE H 1 8 LEU HA . . 5.140 4.727 4.596 4.887 . 0 0 "[ . 1 . 2]" 1
304 1 7 ILE H 1 16 GLU HA . . 5.250 4.929 4.790 5.072 . 0 0 "[ . 1 . 2]" 1
305 1 7 ILE H 1 16 GLU QG . . 4.810 4.652 4.526 4.849 0.039 14 0 "[ . 1 . 2]" 1
306 1 7 ILE H 1 52 THR MG . . 3.790 3.601 3.380 3.820 0.030 12 0 "[ . 1 . 2]" 1
307 1 7 ILE H 1 53 PHE H . . 4.110 3.821 3.700 4.039 . 0 0 "[ . 1 . 2]" 1
308 1 7 ILE H 1 53 PHE HA . . 5.190 5.131 5.075 5.239 0.049 14 0 "[ . 1 . 2]" 1
309 1 7 ILE H 1 53 PHE HB2 . . 4.270 3.978 3.879 4.134 . 0 0 "[ . 1 . 2]" 1
310 1 7 ILE H 1 53 PHE QD . . 5.500 5.578 5.526 5.591 0.091 15 0 "[ . 1 . 2]" 1
311 1 7 ILE H 1 54 THR HA . . 2.760 2.556 2.416 2.651 . 0 0 "[ . 1 . 2]" 1
312 1 7 ILE H 1 54 THR HB . . 5.500 5.377 5.249 5.537 0.037 12 0 "[ . 1 . 2]" 1
313 1 7 ILE H 1 55 VAL H . . 4.040 3.899 3.690 4.080 0.040 13 0 "[ . 1 . 2]" 1
314 1 7 ILE H 1 55 VAL MG1 . . 4.580 4.114 4.017 4.325 . 0 0 "[ . 1 . 2]" 1
315 1 7 ILE HA 1 7 ILE MD . . 3.850 3.860 3.832 3.891 0.041 13 0 "[ . 1 . 2]" 1
316 1 7 ILE HA 1 7 ILE HG12 . . 3.880 2.540 2.473 2.625 . 0 0 "[ . 1 . 2]" 1
317 1 7 ILE HA 1 7 ILE QG . . 3.350 2.439 2.384 2.501 . 0 0 "[ . 1 . 2]" 1
318 1 7 ILE HA 1 7 ILE HG13 . . 3.880 3.152 3.105 3.252 . 0 0 "[ . 1 . 2]" 1
319 1 7 ILE HA 1 7 ILE MG . . 3.060 2.415 2.376 2.447 . 0 0 "[ . 1 . 2]" 1
320 1 7 ILE HA 1 8 LEU H . . 2.400 2.132 2.083 2.177 . 0 0 "[ . 1 . 2]" 1
321 1 7 ILE HA 1 8 LEU HB2 . . 5.500 4.476 4.354 4.565 . 0 0 "[ . 1 . 2]" 1
322 1 7 ILE HA 1 15 GLY H . . 5.470 4.741 4.562 4.897 . 0 0 "[ . 1 . 2]" 1
323 1 7 ILE HA 1 16 GLU H . . 5.500 5.262 5.120 5.419 . 0 0 "[ . 1 . 2]" 1
324 1 7 ILE HA 1 16 GLU HA . . 3.320 2.764 2.617 2.921 . 0 0 "[ . 1 . 2]" 1
325 1 7 ILE HA 1 16 GLU QB . . 5.210 4.000 3.790 4.193 . 0 0 "[ . 1 . 2]" 1
326 1 7 ILE HA 1 16 GLU QG . . 4.260 2.161 1.994 2.480 . 0 0 "[ . 1 . 2]" 1
327 1 7 ILE HA 1 17 THR H . . 4.430 4.214 3.994 4.430 0.000 8 0 "[ . 1 . 2]" 1
328 1 7 ILE HA 1 52 THR MG . . 5.360 4.726 4.578 4.829 . 0 0 "[ . 1 . 2]" 1
329 1 7 ILE HA 1 54 THR MG . . 5.500 4.365 4.218 4.508 . 0 0 "[ . 1 . 2]" 1
330 1 7 ILE HA 1 55 VAL H . . 5.340 5.205 5.061 5.277 . 0 0 "[ . 1 . 2]" 1
331 1 7 ILE HB 1 7 ILE MD . . 3.370 2.488 2.418 2.539 . 0 0 "[ . 1 . 2]" 1
332 1 7 ILE HB 1 8 LEU H . . 4.530 4.406 4.306 4.469 . 0 0 "[ . 1 . 2]" 1
333 1 7 ILE HB 1 9 ASN H . . 5.240 5.273 5.188 5.300 0.060 3 0 "[ . 1 . 2]" 1
334 1 7 ILE HB 1 9 ASN HD22 . . 5.310 4.841 4.518 5.222 . 0 0 "[ . 1 . 2]" 1
335 1 7 ILE HB 1 54 THR H . . 5.150 4.902 4.797 5.015 . 0 0 "[ . 1 . 2]" 1
336 1 7 ILE HB 1 54 THR HA . . 3.370 2.444 2.200 2.572 . 0 0 "[ . 1 . 2]" 1
337 1 7 ILE HB 1 54 THR MG . . 3.190 2.160 2.079 2.253 . 0 0 "[ . 1 . 2]" 1
338 1 7 ILE HB 1 55 VAL H . . 3.980 3.982 3.782 4.034 0.054 10 0 "[ . 1 . 2]" 1
339 1 7 ILE HB 1 55 VAL MG1 . . 5.030 5.056 4.928 5.098 0.068 5 0 "[ . 1 . 2]" 1
340 1 7 ILE MD 1 16 GLU QG . . 4.300 3.631 3.279 3.830 . 0 0 "[ . 1 . 2]" 1
341 1 7 ILE MD 1 52 THR HB . . 4.820 4.056 3.859 4.141 . 0 0 "[ . 1 . 2]" 1
342 1 7 ILE MD 1 52 THR MG . . 2.760 2.058 1.999 2.185 . 0 0 "[ . 1 . 2]" 1
343 1 7 ILE MD 1 53 PHE H . . 5.500 4.779 4.532 5.243 . 0 0 "[ . 1 . 2]" 1
344 1 7 ILE MD 1 54 THR H . . 5.500 5.525 5.122 5.576 0.076 10 0 "[ . 1 . 2]" 1
345 1 7 ILE MD 1 54 THR HA . . 4.670 4.241 3.821 4.345 . 0 0 "[ . 1 . 2]" 1
346 1 7 ILE QG 1 7 ILE MG . . 2.780 2.401 2.361 2.458 . 0 0 "[ . 1 . 2]" 1
347 1 7 ILE QG 1 8 LEU H . . 4.670 4.318 4.257 4.379 . 0 0 "[ . 1 . 2]" 1
348 1 7 ILE QG 1 16 GLU HA . . 5.020 4.000 3.801 4.178 . 0 0 "[ . 1 . 2]" 1
349 1 7 ILE QG 1 16 GLU QG . . 4.140 2.221 2.069 2.385 . 0 0 "[ . 1 . 2]" 1
350 1 7 ILE QG 1 52 THR MG . . 3.310 2.195 2.082 2.287 . 0 0 "[ . 1 . 2]" 1
351 1 7 ILE HG12 1 7 ILE MG . . 3.250 2.472 2.424 2.543 . 0 0 "[ . 1 . 2]" 1
352 1 7 ILE HG13 1 7 ILE MG . . 3.250 3.258 3.244 3.281 0.031 6 0 "[ . 1 . 2]" 1
353 1 7 ILE MG 1 8 LEU H . . 3.480 3.149 2.971 3.257 . 0 0 "[ . 1 . 2]" 1
354 1 7 ILE MG 1 8 LEU HA . . 4.390 4.261 4.199 4.361 . 0 0 "[ . 1 . 2]" 1
355 1 7 ILE MG 1 9 ASN H . . 4.400 3.935 3.799 4.071 . 0 0 "[ . 1 . 2]" 1
356 1 7 ILE MG 1 9 ASN HA . . 4.710 3.971 3.801 4.146 . 0 0 "[ . 1 . 2]" 1
357 1 7 ILE MG 1 9 ASN HB2 . . 4.160 3.949 3.668 4.164 0.004 18 0 "[ . 1 . 2]" 1
358 1 7 ILE MG 1 9 ASN HB3 . . 4.940 4.681 4.540 5.006 0.066 2 0 "[ . 1 . 2]" 1
359 1 7 ILE MG 1 9 ASN HD21 . . 3.810 3.833 3.594 3.896 0.086 6 0 "[ . 1 . 2]" 1
360 1 7 ILE MG 1 9 ASN HD22 . . 3.490 3.068 2.881 3.406 . 0 0 "[ . 1 . 2]" 1
361 1 7 ILE MG 1 15 GLY H . . 4.790 4.419 4.253 4.581 . 0 0 "[ . 1 . 2]" 1
362 1 7 ILE MG 1 16 GLU QB . . 4.590 4.512 4.352 4.656 0.066 13 0 "[ . 1 . 2]" 1
363 1 7 ILE MG 1 16 GLU QG . . 4.090 2.595 2.440 2.741 . 0 0 "[ . 1 . 2]" 1
364 1 7 ILE MG 1 54 THR HA . . 4.200 3.773 3.643 3.902 . 0 0 "[ . 1 . 2]" 1
365 1 7 ILE MG 1 54 THR MG . . 2.990 2.304 2.208 2.509 . 0 0 "[ . 1 . 2]" 1
366 1 7 ILE MG 1 55 VAL H . . 4.940 4.210 4.107 4.280 . 0 0 "[ . 1 . 2]" 1
367 1 8 LEU H 1 8 LEU HB2 . . 2.770 2.371 2.284 2.421 . 0 0 "[ . 1 . 2]" 1
368 1 8 LEU H 1 8 LEU HB3 . . 3.580 3.578 3.530 3.623 0.043 12 0 "[ . 1 . 2]" 1
369 1 8 LEU H 1 8 LEU MD1 . . 4.700 3.654 3.372 3.806 . 0 0 "[ . 1 . 2]" 1
370 1 8 LEU H 1 8 LEU QD . . 4.100 3.272 3.194 3.325 . 0 0 "[ . 1 . 2]" 1
371 1 8 LEU H 1 8 LEU MD2 . . 4.700 3.717 3.587 3.991 . 0 0 "[ . 1 . 2]" 1
372 1 8 LEU H 1 8 LEU HG . . 4.060 2.588 2.512 2.722 . 0 0 "[ . 1 . 2]" 1
373 1 8 LEU H 1 9 ASN H . . 4.410 4.226 4.135 4.320 . 0 0 "[ . 1 . 2]" 1
374 1 8 LEU H 1 9 ASN HA . . 5.450 5.088 5.001 5.141 . 0 0 "[ . 1 . 2]" 1
375 1 8 LEU H 1 14 LYS HB3 . . 5.500 4.996 4.817 5.152 . 0 0 "[ . 1 . 2]" 1
376 1 8 LEU H 1 15 GLY H . . 3.270 3.035 2.927 3.112 . 0 0 "[ . 1 . 2]" 1
377 1 8 LEU H 1 15 GLY QA . . 4.380 4.116 3.992 4.212 . 0 0 "[ . 1 . 2]" 1
378 1 8 LEU H 1 16 GLU HA . . 3.180 3.105 2.935 3.240 0.060 12 0 "[ . 1 . 2]" 1
379 1 8 LEU H 1 16 GLU QB . . 5.500 4.825 4.647 4.981 . 0 0 "[ . 1 . 2]" 1
380 1 8 LEU H 1 16 GLU QG . . 4.340 3.334 3.099 3.631 . 0 0 "[ . 1 . 2]" 1
381 1 8 LEU H 1 54 THR MG . . 5.400 4.856 4.632 5.075 . 0 0 "[ . 1 . 2]" 1
382 1 8 LEU H 1 55 VAL H . . 5.070 4.943 4.884 4.971 . 0 0 "[ . 1 . 2]" 1
383 1 8 LEU H 1 55 VAL MG1 . . 4.210 4.284 4.255 4.298 0.088 13 0 "[ . 1 . 2]" 1
384 1 8 LEU HA 1 8 LEU QD . . 3.450 2.238 2.181 2.313 . 0 0 "[ . 1 . 2]" 1
385 1 8 LEU HA 1 8 LEU HG . . 3.870 3.029 2.754 3.139 . 0 0 "[ . 1 . 2]" 1
386 1 8 LEU HA 1 9 ASN H . . 2.400 2.171 2.100 2.254 . 0 0 "[ . 1 . 2]" 1
387 1 8 LEU HA 1 15 GLY H . . 4.470 4.464 4.376 4.508 0.038 7 0 "[ . 1 . 2]" 1
388 1 8 LEU HA 1 35 ALA MB . . 5.430 4.383 4.192 4.541 . 0 0 "[ . 1 . 2]" 1
389 1 8 LEU HA 1 40 VAL MG2 . . 4.620 4.114 3.955 4.245 . 0 0 "[ . 1 . 2]" 1
390 1 8 LEU HA 1 54 THR MG . . 5.230 4.506 4.230 4.773 . 0 0 "[ . 1 . 2]" 1
391 1 8 LEU HA 1 55 VAL H . . 4.000 3.192 3.141 3.293 . 0 0 "[ . 1 . 2]" 1
392 1 8 LEU HA 1 55 VAL HB . . 4.690 4.742 4.700 4.758 0.068 7 0 "[ . 1 . 2]" 1
393 1 8 LEU HA 1 55 VAL MG1 . . 3.170 2.099 2.072 2.118 . 0 0 "[ . 1 . 2]" 1
394 1 8 LEU HB2 1 9 ASN H . . 4.720 4.407 4.348 4.494 . 0 0 "[ . 1 . 2]" 1
395 1 8 LEU HB2 1 10 GLY H . . 5.260 4.561 4.293 4.715 . 0 0 "[ . 1 . 2]" 1
396 1 8 LEU HB2 1 14 LYS HA . . 4.810 3.087 2.697 3.354 . 0 0 "[ . 1 . 2]" 1
397 1 8 LEU HB2 1 15 GLY H . . 2.730 2.034 1.928 2.172 . 0 0 "[ . 1 . 2]" 1
398 1 8 LEU HB2 1 15 GLY QA . . 5.340 3.128 2.960 3.332 . 0 0 "[ . 1 . 2]" 1
399 1 8 LEU HB2 1 16 GLU HA . . 5.500 4.454 4.155 4.773 . 0 0 "[ . 1 . 2]" 1
400 1 8 LEU HB2 1 40 VAL MG1 . . 4.800 4.288 4.147 4.533 . 0 0 "[ . 1 . 2]" 1
401 1 8 LEU HB2 1 40 VAL MG2 . . 5.080 3.853 3.575 4.111 . 0 0 "[ . 1 . 2]" 1
402 1 8 LEU HB2 1 55 VAL MG1 . . 4.610 4.440 4.392 4.502 . 0 0 "[ . 1 . 2]" 1
403 1 8 LEU HB3 1 9 ASN H . . 3.970 3.790 3.685 3.881 . 0 0 "[ . 1 . 2]" 1
404 1 8 LEU HB3 1 10 GLY H . . 3.870 3.814 3.470 3.931 0.061 19 0 "[ . 1 . 2]" 1
405 1 8 LEU HB3 1 14 LYS HA . . 4.740 3.147 2.789 3.502 . 0 0 "[ . 1 . 2]" 1
406 1 8 LEU HB3 1 15 GLY H . . 3.280 3.338 3.319 3.347 0.067 19 0 "[ . 1 . 2]" 1
407 1 8 LEU HB3 1 40 VAL MG1 . . 4.700 2.782 2.601 3.103 . 0 0 "[ . 1 . 2]" 1
408 1 8 LEU HB3 1 40 VAL MG2 . . 3.600 2.423 2.176 2.624 . 0 0 "[ . 1 . 2]" 1
409 1 8 LEU HB3 1 55 VAL MG1 . . 4.540 3.594 3.492 3.744 . 0 0 "[ . 1 . 2]" 1
410 1 8 LEU QD 1 9 ASN H . . 3.870 3.880 3.768 3.960 0.090 9 0 "[ . 1 . 2]" 1
411 1 8 LEU QD 1 10 GLY H . . 4.980 4.759 4.541 4.852 . 0 0 "[ . 1 . 2]" 1
412 1 8 LEU QD 1 14 LYS HA . . 4.680 4.008 3.651 4.307 . 0 0 "[ . 1 . 2]" 1
413 1 8 LEU QD 1 15 GLY H . . 3.560 3.483 3.294 3.642 0.082 8 0 "[ . 1 . 2]" 1
414 1 8 LEU QD 1 15 GLY QA . . 3.990 2.745 2.555 2.887 . 0 0 "[ . 1 . 2]" 1
415 1 8 LEU QD 1 16 GLU H . . 4.410 4.061 3.458 4.473 0.063 12 0 "[ . 1 . 2]" 1
416 1 8 LEU QD 1 16 GLU HA . . 4.790 4.046 3.395 4.345 . 0 0 "[ . 1 . 2]" 1
417 1 8 LEU QD 1 17 THR HB . . 4.920 4.229 3.520 4.702 . 0 0 "[ . 1 . 2]" 1
418 1 8 LEU QD 1 34 TYR QB . . 4.740 3.696 3.458 3.976 . 0 0 "[ . 1 . 2]" 1
419 1 8 LEU QD 1 34 TYR QD . . 3.570 2.435 2.252 2.761 . 0 0 "[ . 1 . 2]" 1
420 1 8 LEU QD 1 34 TYR QE . . 3.430 2.717 2.086 3.288 . 0 0 "[ . 1 . 2]" 1
421 1 8 LEU QD 1 35 ALA H . . 3.960 3.523 3.391 3.631 . 0 0 "[ . 1 . 2]" 1
422 1 8 LEU QD 1 35 ALA HA . . 3.390 2.095 1.995 2.170 . 0 0 "[ . 1 . 2]" 1
423 1 8 LEU QD 1 35 ALA MB . . 3.390 2.009 1.955 2.098 . 0 0 "[ . 1 . 2]" 1
424 1 8 LEU QD 1 36 ASN H . . 4.880 4.619 4.530 4.715 . 0 0 "[ . 1 . 2]" 1
425 1 8 LEU QD 1 38 ASN H . . 4.680 4.125 3.857 4.360 . 0 0 "[ . 1 . 2]" 1
426 1 8 LEU QD 1 38 ASN QB . . 4.410 2.557 2.293 2.947 . 0 0 "[ . 1 . 2]" 1
427 1 8 LEU QD 1 38 ASN HD21 . . 4.330 2.986 2.627 3.303 . 0 0 "[ . 1 . 2]" 1
428 1 8 LEU QD 1 38 ASN HD22 . . 4.650 3.152 2.664 3.635 . 0 0 "[ . 1 . 2]" 1
429 1 8 LEU QD 1 40 VAL H . . 4.100 4.133 4.012 4.188 0.088 5 0 "[ . 1 . 2]" 1
430 1 8 LEU QD 1 40 VAL HB . . 3.620 2.381 2.226 2.508 . 0 0 "[ . 1 . 2]" 1
431 1 8 LEU QD 1 40 VAL MG1 . . 2.750 2.365 2.201 2.588 . 0 0 "[ . 1 . 2]" 1
432 1 8 LEU QD 1 40 VAL MG2 . . 2.800 2.205 2.055 2.422 . 0 0 "[ . 1 . 2]" 1
433 1 8 LEU QD 1 55 VAL H . . 5.360 4.058 3.832 4.421 . 0 0 "[ . 1 . 2]" 1
434 1 8 LEU QD 1 55 VAL HB . . 4.430 4.087 3.954 4.321 . 0 0 "[ . 1 . 2]" 1
435 1 8 LEU QD 1 55 VAL MG1 . . 3.510 1.970 1.914 2.082 . 0 0 "[ . 1 . 2]" 1
436 1 8 LEU QD 1 55 VAL MG2 . . 3.950 3.728 3.648 3.853 . 0 0 "[ . 1 . 2]" 1
437 1 8 LEU MD1 1 14 LYS HA . . 5.420 4.211 3.776 4.626 . 0 0 "[ . 1 . 2]" 1
438 1 8 LEU MD1 1 34 TYR QB . . 5.470 4.374 3.998 4.732 . 0 0 "[ . 1 . 2]" 1
439 1 8 LEU MD1 1 38 ASN H . . 5.490 4.538 4.114 5.207 . 0 0 "[ . 1 . 2]" 1
440 1 8 LEU MD1 1 38 ASN HD21 . . 4.950 3.114 2.683 3.565 . 0 0 "[ . 1 . 2]" 1
441 1 8 LEU MD2 1 14 LYS HA . . 5.420 5.053 4.753 5.381 . 0 0 "[ . 1 . 2]" 1
442 1 8 LEU MD2 1 34 TYR QB . . 5.470 3.987 3.701 4.307 . 0 0 "[ . 1 . 2]" 1
443 1 8 LEU MD2 1 38 ASN H . . 5.490 4.789 4.542 4.930 . 0 0 "[ . 1 . 2]" 1
444 1 8 LEU MD2 1 38 ASN HD21 . . 4.950 3.912 3.597 4.153 . 0 0 "[ . 1 . 2]" 1
445 1 8 LEU HG 1 9 ASN H . . 5.060 5.118 4.977 5.138 0.078 1 0 "[ . 1 . 2]" 1
446 1 8 LEU HG 1 40 VAL MG2 . . 5.340 4.508 4.275 4.843 . 0 0 "[ . 1 . 2]" 1
447 1 8 LEU HG 1 55 VAL H . . 5.500 5.492 5.204 5.563 0.063 20 0 "[ . 1 . 2]" 1
448 1 8 LEU HG 1 55 VAL MG1 . . 3.890 3.724 3.381 3.827 . 0 0 "[ . 1 . 2]" 1
449 1 9 ASN H 1 9 ASN HB2 . . 2.960 2.423 2.245 2.489 . 0 0 "[ . 1 . 2]" 1
450 1 9 ASN H 1 9 ASN HB3 . . 3.690 3.613 3.454 3.673 . 0 0 "[ . 1 . 2]" 1
451 1 9 ASN H 1 9 ASN HD21 . . 4.660 4.614 4.388 4.719 0.059 1 0 "[ . 1 . 2]" 1
452 1 9 ASN H 1 9 ASN HD22 . . 5.360 5.368 5.214 5.430 0.070 10 0 "[ . 1 . 2]" 1
453 1 9 ASN H 1 10 GLY H . . 3.730 3.614 3.523 3.714 . 0 0 "[ . 1 . 2]" 1
454 1 9 ASN H 1 10 GLY HA3 . . 5.300 5.022 4.895 5.141 . 0 0 "[ . 1 . 2]" 1
455 1 9 ASN H 1 14 LYS HA . . 5.480 4.840 4.631 5.005 . 0 0 "[ . 1 . 2]" 1
456 1 9 ASN H 1 14 LYS HB3 . . 5.500 5.554 5.388 5.574 0.074 17 0 "[ . 1 . 2]" 1
457 1 9 ASN H 1 40 VAL MG1 . . 3.960 3.309 3.139 3.432 . 0 0 "[ . 1 . 2]" 1
458 1 9 ASN H 1 54 THR HA . . 5.500 4.778 4.614 4.992 . 0 0 "[ . 1 . 2]" 1
459 1 9 ASN H 1 54 THR MG . . 3.920 3.656 3.359 3.982 0.062 3 0 "[ . 1 . 2]" 1
460 1 9 ASN H 1 55 VAL H . . 3.410 3.030 2.886 3.331 . 0 0 "[ . 1 . 2]" 1
461 1 9 ASN H 1 55 VAL HB . . 5.260 5.142 5.078 5.196 . 0 0 "[ . 1 . 2]" 1
462 1 9 ASN H 1 55 VAL MG1 . . 2.950 2.701 2.635 2.827 . 0 0 "[ . 1 . 2]" 1
463 1 9 ASN H 1 55 VAL MG2 . . 4.210 4.188 4.052 4.256 0.046 17 0 "[ . 1 . 2]" 1
464 1 9 ASN H 1 56 THR H . . 5.220 5.000 4.836 5.113 . 0 0 "[ . 1 . 2]" 1
465 1 9 ASN H 1 56 THR HA . . 3.870 3.599 3.321 3.786 . 0 0 "[ . 1 . 2]" 1
466 1 9 ASN H 1 56 THR MG . . 4.920 4.775 4.606 4.917 . 0 0 "[ . 1 . 2]" 1
467 1 9 ASN H 1 57 GLU H . . 4.300 4.131 4.001 4.242 . 0 0 "[ . 1 . 2]" 1
468 1 9 ASN HA 1 9 ASN HD21 . . 4.890 4.468 4.373 4.538 . 0 0 "[ . 1 . 2]" 1
469 1 9 ASN HA 1 9 ASN HD22 . . 4.920 4.601 4.454 4.770 . 0 0 "[ . 1 . 2]" 1
470 1 9 ASN HA 1 10 GLY H . . 2.550 2.512 2.450 2.606 0.056 3 0 "[ . 1 . 2]" 1
471 1 9 ASN HA 1 14 LYS HB3 . . 4.540 3.408 3.130 3.613 . 0 0 "[ . 1 . 2]" 1
472 1 9 ASN HA 1 14 LYS HD2 . . 4.950 4.439 3.779 4.991 0.041 16 0 "[ . 1 . 2]" 1
473 1 9 ASN HA 1 14 LYS QD . . 4.300 3.749 3.268 4.125 . 0 0 "[ . 1 . 2]" 1
474 1 9 ASN HA 1 14 LYS HD3 . . 4.950 4.048 3.576 4.463 . 0 0 "[ . 1 . 2]" 1
475 1 9 ASN HA 1 14 LYS QG . . 3.770 2.133 1.971 2.350 . 0 0 "[ . 1 . 2]" 1
476 1 9 ASN HA 1 15 GLY H . . 4.510 4.407 4.192 4.571 0.061 13 0 "[ . 1 . 2]" 1
477 1 9 ASN HA 1 57 GLU H . . 5.200 5.031 4.956 5.158 . 0 0 "[ . 1 . 2]" 1
478 1 9 ASN HB2 1 9 ASN HD21 . . 3.230 2.411 2.242 2.549 . 0 0 "[ . 1 . 2]" 1
479 1 9 ASN HB2 1 9 ASN HD22 . . 3.770 3.582 3.510 3.627 . 0 0 "[ . 1 . 2]" 1
480 1 9 ASN HB2 1 10 GLY H . . 4.610 4.642 4.592 4.663 0.053 5 0 "[ . 1 . 2]" 1
481 1 9 ASN HB2 1 54 THR MG . . 3.910 2.748 2.424 3.113 . 0 0 "[ . 1 . 2]" 1
482 1 9 ASN HB2 1 55 VAL H . . 4.830 3.782 3.381 4.158 . 0 0 "[ . 1 . 2]" 1
483 1 9 ASN HB2 1 56 THR H . . 5.330 4.314 4.162 4.412 . 0 0 "[ . 1 . 2]" 1
484 1 9 ASN HB2 1 56 THR HA . . 4.910 2.370 2.111 2.678 . 0 0 "[ . 1 . 2]" 1
485 1 9 ASN HB2 1 56 THR MG . . 4.040 2.886 2.587 3.281 . 0 0 "[ . 1 . 2]" 1
486 1 9 ASN HB2 1 57 GLU H . . 4.330 3.973 3.739 4.212 . 0 0 "[ . 1 . 2]" 1
487 1 9 ASN HB3 1 9 ASN HD21 . . 3.100 2.730 2.467 2.943 . 0 0 "[ . 1 . 2]" 1
488 1 9 ASN HB3 1 9 ASN HD22 . . 3.880 3.637 3.501 3.781 . 0 0 "[ . 1 . 2]" 1
489 1 9 ASN HB3 1 10 GLY H . . 4.580 4.329 4.267 4.378 . 0 0 "[ . 1 . 2]" 1
490 1 9 ASN HB3 1 54 THR MG . . 4.240 3.915 3.536 4.213 . 0 0 "[ . 1 . 2]" 1
491 1 9 ASN HB3 1 56 THR H . . 5.480 5.441 5.090 5.534 0.054 18 0 "[ . 1 . 2]" 1
492 1 9 ASN HB3 1 56 THR HA . . 4.590 2.802 2.518 2.896 . 0 0 "[ . 1 . 2]" 1
493 1 9 ASN HB3 1 56 THR MG . . 3.760 2.374 2.166 2.565 . 0 0 "[ . 1 . 2]" 1
494 1 9 ASN HB3 1 57 GLU H . . 4.150 4.038 3.831 4.206 0.056 9 0 "[ . 1 . 2]" 1
495 1 9 ASN HD21 1 54 THR HB . . 4.600 4.546 4.267 4.658 0.058 3 0 "[ . 1 . 2]" 1
496 1 9 ASN HD21 1 54 THR MG . . 3.140 2.244 2.103 2.348 . 0 0 "[ . 1 . 2]" 1
497 1 9 ASN HD21 1 55 VAL H . . 5.350 5.019 4.723 5.313 . 0 0 "[ . 1 . 2]" 1
498 1 9 ASN HD21 1 56 THR H . . 5.430 5.349 4.953 5.493 0.063 16 0 "[ . 1 . 2]" 1
499 1 9 ASN HD21 1 56 THR HA . . 4.300 3.981 3.704 4.118 . 0 0 "[ . 1 . 2]" 1
500 1 9 ASN HD21 1 56 THR MG . . 3.070 2.938 2.571 3.151 0.081 2 0 "[ . 1 . 2]" 1
501 1 9 ASN HD22 1 54 THR HB . . 5.380 5.205 5.072 5.372 . 0 0 "[ . 1 . 2]" 1
502 1 9 ASN HD22 1 54 THR MG . . 3.380 2.582 2.468 2.800 . 0 0 "[ . 1 . 2]" 1
503 1 9 ASN HD22 1 56 THR HA . . 5.500 5.537 5.312 5.576 0.076 8 0 "[ . 1 . 2]" 1
504 1 9 ASN HD22 1 56 THR MG . . 4.260 4.276 3.979 4.343 0.083 9 0 "[ . 1 . 2]" 1
505 1 10 GLY H 1 10 GLY HA3 . . 2.460 2.364 2.300 2.426 . 0 0 "[ . 1 . 2]" 1
506 1 10 GLY H 1 11 LYS H . . 4.640 4.548 4.494 4.663 0.023 3 0 "[ . 1 . 2]" 1
507 1 10 GLY H 1 12 THR H . . 4.930 4.907 4.651 4.998 0.068 9 0 "[ . 1 . 2]" 1
508 1 10 GLY H 1 13 LEU H . . 4.450 4.301 4.031 4.499 0.049 1 0 "[ . 1 . 2]" 1
509 1 10 GLY H 1 14 LYS H . . 4.880 4.749 4.417 4.926 0.046 10 0 "[ . 1 . 2]" 1
510 1 10 GLY H 1 14 LYS HA . . 3.000 2.576 2.400 2.715 . 0 0 "[ . 1 . 2]" 1
511 1 10 GLY H 1 14 LYS HB2 . . 4.910 4.538 4.366 4.744 . 0 0 "[ . 1 . 2]" 1
512 1 10 GLY H 1 14 LYS HB3 . . 4.260 3.825 3.691 4.148 . 0 0 "[ . 1 . 2]" 1
513 1 10 GLY H 1 14 LYS QD . . 5.160 3.835 3.424 4.203 . 0 0 "[ . 1 . 2]" 1
514 1 10 GLY H 1 14 LYS QE . . 4.830 4.088 3.339 4.718 . 0 0 "[ . 1 . 2]" 1
515 1 10 GLY H 1 14 LYS QG . . 3.330 1.982 1.830 2.164 . 0 0 "[ . 1 . 2]" 1
516 1 10 GLY H 1 15 GLY H . . 4.430 4.400 4.135 4.490 0.060 3 0 "[ . 1 . 2]" 1
517 1 10 GLY H 1 40 VAL MG1 . . 3.800 3.653 3.356 3.830 0.030 16 0 "[ . 1 . 2]" 1
518 1 10 GLY H 1 40 VAL MG2 . . 3.950 3.987 3.689 4.051 0.101 17 0 "[ . 1 . 2]" 1
519 1 10 GLY H 1 55 VAL MG1 . . 5.030 5.005 4.892 5.090 0.060 16 0 "[ . 1 . 2]" 1
520 1 10 GLY H 1 56 THR HA . . 5.400 5.249 5.043 5.367 . 0 0 "[ . 1 . 2]" 1
521 1 10 GLY H 1 57 GLU HB3 . . 5.480 5.049 4.854 5.342 . 0 0 "[ . 1 . 2]" 1
522 1 10 GLY HA2 1 11 LYS H . . 2.580 2.205 2.112 2.351 . 0 0 "[ . 1 . 2]" 1
523 1 10 GLY HA2 1 11 LYS QB . . 4.860 4.466 4.233 4.684 . 0 0 "[ . 1 . 2]" 1
524 1 10 GLY HA2 1 40 VAL MG1 . . 3.740 3.046 2.676 3.275 . 0 0 "[ . 1 . 2]" 1
525 1 10 GLY HA2 1 40 VAL MG2 . . 4.510 4.220 3.886 4.423 . 0 0 "[ . 1 . 2]" 1
526 1 10 GLY HA2 1 57 GLU H . . 3.160 2.600 2.454 2.717 . 0 0 "[ . 1 . 2]" 1
527 1 10 GLY HA2 1 57 GLU HB2 . . 3.500 2.034 1.926 2.183 . 0 0 "[ . 1 . 2]" 1
528 1 10 GLY HA2 1 57 GLU HB3 . . 3.800 2.150 1.985 2.430 . 0 0 "[ . 1 . 2]" 1
529 1 10 GLY HA2 1 57 GLU QG . . 3.810 3.751 3.491 3.863 0.053 3 0 "[ . 1 . 2]" 1
530 1 10 GLY HA3 1 11 LYS H . . 3.210 2.821 2.621 3.016 . 0 0 "[ . 1 . 2]" 1
531 1 10 GLY HA3 1 11 LYS QB . . 5.210 4.831 4.661 5.074 . 0 0 "[ . 1 . 2]" 1
532 1 10 GLY HA3 1 12 THR H . . 3.170 3.127 2.954 3.235 0.065 3 0 "[ . 1 . 2]" 1
533 1 10 GLY HA3 1 13 LEU H . . 2.970 2.914 2.783 3.022 0.052 1 0 "[ . 1 . 2]" 1
534 1 10 GLY HA3 1 13 LEU QB . . 4.700 4.232 3.793 4.556 . 0 0 "[ . 1 . 2]" 1
535 1 10 GLY HA3 1 14 LYS QG . . 4.220 3.512 3.215 3.976 . 0 0 "[ . 1 . 2]" 1
536 1 10 GLY HA3 1 40 VAL MG1 . . 3.740 2.951 2.602 3.227 . 0 0 "[ . 1 . 2]" 1
537 1 10 GLY HA3 1 40 VAL MG2 . . 3.820 3.163 2.831 3.394 . 0 0 "[ . 1 . 2]" 1
538 1 10 GLY HA3 1 57 GLU H . . 4.260 4.197 4.058 4.327 0.067 2 0 "[ . 1 . 2]" 1
539 1 10 GLY HA3 1 57 GLU HB2 . . 4.240 3.062 2.910 3.218 . 0 0 "[ . 1 . 2]" 1
540 1 10 GLY HA3 1 57 GLU HB3 . . 4.490 3.429 3.237 3.750 . 0 0 "[ . 1 . 2]" 1
541 1 10 GLY HA3 1 57 GLU QG . . 4.460 4.281 3.876 4.545 0.085 3 0 "[ . 1 . 2]" 1
542 1 11 LYS H 1 11 LYS QB . . 2.620 2.438 2.198 2.602 . 0 0 "[ . 1 . 2]" 1
543 1 11 LYS H 1 11 LYS QD . . 3.890 3.477 2.941 3.971 0.081 9 0 "[ . 1 . 2]" 1
544 1 11 LYS H 1 11 LYS QE . . 4.900 3.869 2.617 4.747 . 0 0 "[ . 1 . 2]" 1
545 1 11 LYS H 1 11 LYS QG . . 2.970 2.251 2.031 2.537 . 0 0 "[ . 1 . 2]" 1
546 1 11 LYS H 1 12 THR H . . 2.750 2.570 2.302 2.776 0.026 14 0 "[ . 1 . 2]" 1
547 1 11 LYS H 1 12 THR MG . . 4.690 4.198 3.588 4.764 0.074 2 0 "[ . 1 . 2]" 1
548 1 11 LYS H 1 13 LEU H . . 4.120 4.123 3.928 4.190 0.070 13 0 "[ . 1 . 2]" 1
549 1 11 LYS H 1 40 VAL MG1 . . 4.950 4.494 4.186 4.676 . 0 0 "[ . 1 . 2]" 1
550 1 11 LYS H 1 40 VAL MG2 . . 5.330 5.209 4.951 5.386 0.056 6 0 "[ . 1 . 2]" 1
551 1 11 LYS H 1 56 THR MG . . 5.500 5.555 5.372 5.599 0.099 5 0 "[ . 1 . 2]" 1
552 1 11 LYS H 1 57 GLU H . . 4.110 4.075 3.944 4.171 0.061 9 0 "[ . 1 . 2]" 1
553 1 11 LYS H 1 57 GLU HB2 . . 3.470 3.125 2.902 3.325 . 0 0 "[ . 1 . 2]" 1
554 1 11 LYS H 1 57 GLU HB3 . . 3.070 1.908 1.743 2.069 . 0 0 "[ . 1 . 2]" 1
555 1 11 LYS H 1 57 GLU QG . . 4.260 3.716 3.484 4.083 . 0 0 "[ . 1 . 2]" 1
556 1 11 LYS HA 1 11 LYS QB . . 2.770 2.391 2.339 2.470 . 0 0 "[ . 1 . 2]" 1
557 1 11 LYS HA 1 11 LYS QD . . 4.470 3.242 2.056 4.289 . 0 0 "[ . 1 . 2]" 1
558 1 11 LYS HA 1 11 LYS QE . . 4.810 3.428 1.917 4.540 . 0 0 "[ . 1 . 2]" 1
559 1 11 LYS HA 1 11 LYS QG . . 3.550 2.778 2.328 3.219 . 0 0 "[ . 1 . 2]" 1
560 1 11 LYS QB 1 12 THR H . . 3.360 3.007 2.747 3.241 . 0 0 "[ . 1 . 2]" 1
561 1 11 LYS QB 1 12 THR HA . . 4.890 4.224 3.950 4.456 . 0 0 "[ . 1 . 2]" 1
562 1 11 LYS QB 1 12 THR MG . . 3.430 2.859 2.391 3.523 0.093 10 0 "[ . 1 . 2]" 1
563 1 11 LYS QD 1 11 LYS QG . . 2.480 2.007 1.966 2.124 . 0 0 "[ . 1 . 2]" 1
564 1 11 LYS QD 1 12 THR H . . 5.500 5.115 4.682 5.570 0.070 15 0 "[ . 1 . 2]" 1
565 1 11 LYS QD 1 57 GLU H . . 5.500 4.892 3.944 5.571 0.071 16 0 "[ . 1 . 2]" 1
566 1 11 LYS QD 1 57 GLU HB3 . . 4.920 3.554 2.204 4.550 . 0 0 "[ . 1 . 2]" 1
567 1 11 LYS QE 1 12 THR H . . 5.500 5.130 3.991 5.584 0.084 20 0 "[ . 1 . 2]" 1
568 1 11 LYS QG 1 57 GLU H . . 4.390 4.265 3.997 4.472 0.082 3 0 "[ . 1 . 2]" 1
569 1 11 LYS QG 1 57 GLU HB2 . . 4.260 4.086 3.819 4.336 0.076 19 0 "[ . 1 . 2]" 1
570 1 11 LYS QG 1 57 GLU HB3 . . 3.980 2.457 2.153 2.809 . 0 0 "[ . 1 . 2]" 1
571 1 11 LYS QG 1 57 GLU QG . . 4.650 3.880 2.950 4.728 0.078 16 0 "[ . 1 . 2]" 1
572 1 12 THR H 1 12 THR HB . . 3.830 3.624 2.939 3.867 0.037 14 0 "[ . 1 . 2]" 1
573 1 12 THR H 1 12 THR MG . . 3.230 2.815 2.057 3.280 0.050 2 0 "[ . 1 . 2]" 1
574 1 12 THR H 1 13 LEU H . . 2.400 2.135 1.758 2.341 . 0 0 "[ . 1 . 2]" 1
575 1 12 THR H 1 13 LEU HA . . 4.770 4.763 4.547 4.838 0.068 1 0 "[ . 1 . 2]" 1
576 1 12 THR H 1 13 LEU QB . . 4.630 4.303 3.953 4.572 . 0 0 "[ . 1 . 2]" 1
577 1 12 THR H 1 14 LYS QD . . 5.340 5.395 5.173 5.429 0.089 8 0 "[ . 1 . 2]" 1
578 1 12 THR H 1 14 LYS QE . . 5.340 4.429 3.660 5.402 0.062 8 0 "[ . 1 . 2]" 1
579 1 12 THR H 1 40 VAL MG1 . . 5.500 5.321 4.961 5.574 0.074 12 0 "[ . 1 . 2]" 1
580 1 12 THR H 1 40 VAL MG2 . . 5.370 4.958 4.633 5.198 . 0 0 "[ . 1 . 2]" 1
581 1 12 THR H 1 57 GLU HB2 . . 5.060 4.980 4.738 5.125 0.065 12 0 "[ . 1 . 2]" 1
582 1 12 THR H 1 57 GLU HB3 . . 4.920 4.268 3.907 4.597 . 0 0 "[ . 1 . 2]" 1
583 1 12 THR HA 1 12 THR MG . . 3.310 2.424 2.141 3.268 . 0 0 "[ . 1 . 2]" 1
584 1 12 THR HB 1 13 LEU H . . 4.160 3.728 3.132 4.170 0.010 14 0 "[ . 1 . 2]" 1
585 1 12 THR MG 1 13 LEU H . . 4.160 3.892 2.312 4.242 0.082 2 0 "[ . 1 . 2]" 1
586 1 13 LEU H 1 13 LEU HB2 . . 3.430 3.203 2.978 3.377 . 0 0 "[ . 1 . 2]" 1
587 1 13 LEU H 1 13 LEU QB . . 2.670 2.512 2.424 2.608 . 0 0 "[ . 1 . 2]" 1
588 1 13 LEU H 1 13 LEU HB3 . . 3.430 2.628 2.506 2.747 . 0 0 "[ . 1 . 2]" 1
589 1 13 LEU H 1 13 LEU QD . . 4.840 3.888 3.605 4.043 . 0 0 "[ . 1 . 2]" 1
590 1 13 LEU H 1 13 LEU HG . . 4.680 4.542 4.380 4.694 0.014 15 0 "[ . 1 . 2]" 1
591 1 13 LEU H 1 14 LYS H . . 4.390 4.404 4.309 4.454 0.064 2 0 "[ . 1 . 2]" 1
592 1 13 LEU H 1 14 LYS HA . . 5.170 4.847 4.720 5.034 . 0 0 "[ . 1 . 2]" 1
593 1 13 LEU H 1 14 LYS QD . . 5.340 5.264 5.015 5.409 0.069 20 0 "[ . 1 . 2]" 1
594 1 13 LEU H 1 40 VAL MG1 . . 5.150 4.984 4.677 5.199 0.049 9 0 "[ . 1 . 2]" 1
595 1 13 LEU H 1 40 VAL MG2 . . 4.400 3.910 3.527 4.229 . 0 0 "[ . 1 . 2]" 1
596 1 13 LEU H 1 57 GLU HB2 . . 5.500 5.571 5.544 5.585 0.085 18 0 "[ . 1 . 2]" 1
597 1 13 LEU H 1 57 GLU HB3 . . 5.500 5.496 5.369 5.563 0.063 12 0 "[ . 1 . 2]" 1
598 1 13 LEU HA 1 13 LEU MD1 . . 4.570 2.835 2.113 3.745 . 0 0 "[ . 1 . 2]" 1
599 1 13 LEU HA 1 13 LEU QD . . 3.450 2.621 2.103 3.303 . 0 0 "[ . 1 . 2]" 1
600 1 13 LEU HA 1 13 LEU MD2 . . 4.570 3.719 3.359 3.948 . 0 0 "[ . 1 . 2]" 1
601 1 13 LEU HA 1 13 LEU HG . . 3.810 2.919 2.389 3.309 . 0 0 "[ . 1 . 2]" 1
602 1 13 LEU HA 1 14 LYS H . . 2.400 2.279 2.044 2.461 0.061 6 0 "[ . 1 . 2]" 1
603 1 13 LEU QB 1 13 LEU QD . . 2.820 1.945 1.893 2.012 . 0 0 "[ . 1 . 2]" 1
604 1 13 LEU QB 1 14 LYS QE . . 5.090 4.573 3.945 5.184 0.094 12 0 "[ . 1 . 2]" 1
605 1 13 LEU QB 1 40 VAL MG1 . . 5.340 4.945 4.428 5.429 0.089 6 0 "[ . 1 . 2]" 1
606 1 13 LEU QB 1 40 VAL MG2 . . 3.610 3.105 2.433 3.702 0.092 6 0 "[ . 1 . 2]" 1
607 1 13 LEU QD 1 14 LYS H . . 3.080 2.377 1.729 2.948 . 0 0 "[ . 1 . 2]" 1
608 1 13 LEU QD 1 14 LYS HA . . 4.370 3.542 2.627 4.177 . 0 0 "[ . 1 . 2]" 1
609 1 13 LEU QD 1 15 GLY H . . 4.840 4.491 3.821 4.948 0.108 4 0 "[ . 1 . 2]" 1
610 1 13 LEU QD 1 38 ASN QB . . 3.260 2.291 1.855 3.287 0.027 6 0 "[ . 1 . 2]" 1
611 1 13 LEU MD1 1 14 LYS H . . 4.560 3.004 1.731 4.559 . 0 0 "[ . 1 . 2]" 1
612 1 13 LEU MD1 1 14 LYS HA . . 5.500 4.852 4.295 5.576 0.076 7 0 "[ . 1 . 2]" 1
613 1 13 LEU MD2 1 14 LYS H . . 4.560 3.591 2.771 4.438 . 0 0 "[ . 1 . 2]" 1
614 1 13 LEU MD2 1 14 LYS HA . . 5.500 4.082 2.635 5.284 . 0 0 "[ . 1 . 2]" 1
615 1 13 LEU HG 1 14 LYS H . . 2.990 2.638 2.284 3.044 0.054 16 0 "[ . 1 . 2]" 1
616 1 13 LEU HG 1 14 LYS QE . . 5.340 4.914 4.492 5.413 0.073 12 0 "[ . 1 . 2]" 1
617 1 13 LEU HG 1 40 VAL MG2 . . 4.960 4.297 3.775 4.740 . 0 0 "[ . 1 . 2]" 1
618 1 14 LYS H 1 14 LYS HB2 . . 2.980 2.790 2.622 2.963 . 0 0 "[ . 1 . 2]" 1
619 1 14 LYS H 1 14 LYS HB3 . . 3.870 3.836 3.728 3.898 0.028 19 0 "[ . 1 . 2]" 1
620 1 14 LYS H 1 14 LYS QE . . 5.330 2.781 2.041 3.429 . 0 0 "[ . 1 . 2]" 1
621 1 14 LYS H 1 14 LYS QG . . 4.130 3.453 3.112 3.731 . 0 0 "[ . 1 . 2]" 1
622 1 14 LYS H 1 15 GLY H . . 4.600 4.411 4.298 4.504 . 0 0 "[ . 1 . 2]" 1
623 1 14 LYS H 1 15 GLY HA2 . . 5.290 5.043 4.807 5.248 . 0 0 "[ . 1 . 2]" 1
624 1 14 LYS H 1 15 GLY HA3 . . 5.290 5.019 4.842 5.262 . 0 0 "[ . 1 . 2]" 1
625 1 14 LYS HA 1 14 LYS HD2 . . 4.930 4.694 4.582 4.786 . 0 0 "[ . 1 . 2]" 1
626 1 14 LYS HA 1 14 LYS HD3 . . 4.930 4.777 4.612 4.873 . 0 0 "[ . 1 . 2]" 1
627 1 14 LYS HA 1 14 LYS QG . . 3.540 2.420 2.351 2.518 . 0 0 "[ . 1 . 2]" 1
628 1 14 LYS HA 1 15 GLY H . . 2.400 2.354 2.236 2.445 0.045 10 0 "[ . 1 . 2]" 1
629 1 14 LYS HB2 1 14 LYS HE2 . . 4.190 3.462 2.118 4.020 . 0 0 "[ . 1 . 2]" 1
630 1 14 LYS HB2 1 14 LYS QE . . 3.660 2.326 1.986 3.128 . 0 0 "[ . 1 . 2]" 1
631 1 14 LYS HB2 1 14 LYS HE3 . . 4.190 2.432 2.005 3.428 . 0 0 "[ . 1 . 2]" 1
632 1 14 LYS HB2 1 15 GLY H . . 3.930 3.778 3.668 3.966 0.036 2 0 "[ . 1 . 2]" 1
633 1 14 LYS HB3 1 15 GLY H . . 3.100 2.585 2.438 2.826 . 0 0 "[ . 1 . 2]" 1
634 1 14 LYS QD 1 14 LYS QG . . 2.350 1.989 1.954 2.014 . 0 0 "[ . 1 . 2]" 1
635 1 15 GLY H 1 15 GLY QA . . 2.580 2.518 2.504 2.534 . 0 0 "[ . 1 . 2]" 1
636 1 15 GLY H 1 16 GLU HA . . 4.780 4.715 4.656 4.756 . 0 0 "[ . 1 . 2]" 1
637 1 15 GLY H 1 16 GLU QG . . 4.820 4.227 3.982 4.512 . 0 0 "[ . 1 . 2]" 1
638 1 15 GLY QA 1 16 GLU H . . 2.400 2.329 2.294 2.367 . 0 0 "[ . 1 . 2]" 1
639 1 15 GLY QA 1 16 GLU QB . . 5.340 3.995 3.828 4.171 . 0 0 "[ . 1 . 2]" 1
640 1 15 GLY HA2 1 16 GLU H . . 2.800 2.594 2.466 2.708 . 0 0 "[ . 1 . 2]" 1
641 1 15 GLY HA3 1 16 GLU H . . 2.800 2.648 2.479 2.801 0.001 17 0 "[ . 1 . 2]" 1
642 1 16 GLU H 1 16 GLU QB . . 3.290 2.689 2.506 2.831 . 0 0 "[ . 1 . 2]" 1
643 1 16 GLU H 1 16 GLU QG . . 3.900 3.521 3.245 3.681 . 0 0 "[ . 1 . 2]" 1
644 1 16 GLU H 1 17 THR H . . 4.290 4.329 4.261 4.359 0.069 17 0 "[ . 1 . 2]" 1
645 1 16 GLU H 1 17 THR HA . . 4.920 4.870 4.724 4.963 0.043 13 0 "[ . 1 . 2]" 1
646 1 16 GLU H 1 17 THR HB . . 4.770 4.581 4.377 4.821 0.051 17 0 "[ . 1 . 2]" 1
647 1 16 GLU H 1 17 THR MG . . 5.290 5.091 4.884 5.366 0.076 12 0 "[ . 1 . 2]" 1
648 1 16 GLU HA 1 17 THR H . . 2.400 2.279 2.168 2.365 . 0 0 "[ . 1 . 2]" 1
649 1 16 GLU HA 1 17 THR HB . . 5.160 4.404 4.307 4.585 . 0 0 "[ . 1 . 2]" 1
650 1 16 GLU HA 1 17 THR MG . . 4.410 3.821 3.617 4.052 . 0 0 "[ . 1 . 2]" 1
651 1 16 GLU QB 1 17 THR H . . 3.460 2.798 2.506 3.340 . 0 0 "[ . 1 . 2]" 1
652 1 16 GLU QG 1 17 THR H . . 3.870 3.730 3.623 3.930 0.060 12 0 "[ . 1 . 2]" 1
653 1 17 THR H 1 17 THR HB . . 3.300 3.326 3.062 3.368 0.068 6 0 "[ . 1 . 2]" 1
654 1 17 THR H 1 17 THR MG . . 2.700 2.646 2.514 2.754 0.054 16 0 "[ . 1 . 2]" 1
655 1 17 THR H 1 18 THR H . . 4.590 4.371 4.287 4.492 . 0 0 "[ . 1 . 2]" 1
656 1 17 THR H 1 18 THR HA . . 4.880 4.692 4.590 4.901 0.021 12 0 "[ . 1 . 2]" 1
657 1 17 THR H 1 18 THR MG . . 4.250 4.056 3.943 4.246 . 0 0 "[ . 1 . 2]" 1
658 1 17 THR HA 1 18 THR H . . 2.580 2.461 2.339 2.540 . 0 0 "[ . 1 . 2]" 1
659 1 17 THR HB 1 18 THR H . . 4.510 3.958 3.786 4.113 . 0 0 "[ . 1 . 2]" 1
660 1 17 THR HB 1 34 TYR QE . . 4.600 2.975 2.531 3.425 . 0 0 "[ . 1 . 2]" 1
661 1 17 THR MG 1 18 THR H . . 4.210 3.374 3.244 3.534 . 0 0 "[ . 1 . 2]" 1
662 1 17 THR MG 1 18 THR HA . . 4.280 3.745 3.656 3.956 . 0 0 "[ . 1 . 2]" 1
663 1 17 THR MG 1 19 THR H . . 4.870 4.889 4.730 4.953 0.083 18 0 "[ . 1 . 2]" 1
664 1 17 THR MG 1 31 PHE QD . . 4.780 2.862 2.674 3.030 . 0 0 "[ . 1 . 2]" 1
665 1 17 THR MG 1 31 PHE QE . . 4.110 2.359 2.232 2.827 . 0 0 "[ . 1 . 2]" 1
666 1 17 THR MG 1 31 PHE HZ . . 4.760 4.035 3.725 4.616 . 0 0 "[ . 1 . 2]" 1
667 1 17 THR MG 1 34 TYR H . . 5.500 5.583 5.527 5.600 0.100 2 0 "[ . 1 . 2]" 1
668 1 17 THR MG 1 34 TYR QB . . 4.500 3.232 3.126 3.300 . 0 0 "[ . 1 . 2]" 1
669 1 17 THR MG 1 34 TYR QD . . 3.930 2.761 2.485 3.031 . 0 0 "[ . 1 . 2]" 1
670 1 17 THR MG 1 34 TYR QE . . 3.770 2.996 2.745 3.257 . 0 0 "[ . 1 . 2]" 1
671 1 17 THR MG 1 35 ALA H . . 5.500 5.327 5.150 5.540 0.040 13 0 "[ . 1 . 2]" 1
672 1 17 THR MG 1 38 ASN HD21 . . 5.500 5.479 5.279 5.570 0.070 10 0 "[ . 1 . 2]" 1
673 1 17 THR MG 1 38 ASN HD22 . . 5.500 5.025 4.805 5.362 . 0 0 "[ . 1 . 2]" 1
674 1 18 THR H 1 18 THR HB . . 4.020 3.749 3.654 3.860 . 0 0 "[ . 1 . 2]" 1
675 1 18 THR H 1 18 THR MG . . 3.190 3.262 3.231 3.285 0.095 14 0 "[ . 1 . 2]" 1
676 1 18 THR H 1 19 THR H . . 4.630 4.368 4.290 4.424 . 0 0 "[ . 1 . 2]" 1
677 1 18 THR H 1 19 THR MG . . 5.500 5.372 5.013 5.573 0.073 7 0 "[ . 1 . 2]" 1
678 1 18 THR HA 1 18 THR MG . . 3.080 2.291 2.129 2.411 . 0 0 "[ . 1 . 2]" 1
679 1 18 THR HA 1 19 THR H . . 2.420 2.317 2.284 2.340 . 0 0 "[ . 1 . 2]" 1
680 1 18 THR HA 1 19 THR MG . . 4.410 4.066 3.738 4.363 . 0 0 "[ . 1 . 2]" 1
681 1 18 THR HA 1 31 PHE QE . . 4.620 3.296 2.927 4.064 . 0 0 "[ . 1 . 2]" 1
682 1 18 THR HA 1 31 PHE HZ . . 3.740 2.834 2.492 3.812 0.072 13 0 "[ . 1 . 2]" 1
683 1 18 THR HB 1 19 THR H . . 3.080 2.980 2.763 3.146 0.066 13 0 "[ . 1 . 2]" 1
684 1 18 THR MG 1 19 THR H . . 4.460 3.697 3.480 3.913 . 0 0 "[ . 1 . 2]" 1
685 1 19 THR H 1 19 THR HB . . 3.420 3.219 3.067 3.348 . 0 0 "[ . 1 . 2]" 1
686 1 19 THR H 1 19 THR MG . . 2.770 2.628 2.407 2.796 0.026 13 0 "[ . 1 . 2]" 1
687 1 19 THR H 1 20 GLU H . . 4.400 4.341 4.298 4.401 0.001 2 0 "[ . 1 . 2]" 1
688 1 19 THR H 1 20 GLU HA . . 4.830 4.558 4.467 4.671 . 0 0 "[ . 1 . 2]" 1
689 1 19 THR H 1 20 GLU QG . . 5.350 4.763 4.384 5.378 0.028 5 0 "[ . 1 . 2]" 1
690 1 19 THR H 1 21 ALA MB . . 5.500 5.408 5.211 5.580 0.080 6 0 "[ . 1 . 2]" 1
691 1 19 THR H 1 30 VAL QG . . 5.440 5.381 5.241 5.538 0.098 13 0 "[ . 1 . 2]" 1
692 1 19 THR H 1 31 PHE HZ . . 3.140 2.708 2.530 2.956 . 0 0 "[ . 1 . 2]" 1
693 1 19 THR HA 1 20 GLU H . . 2.590 2.388 2.283 2.446 . 0 0 "[ . 1 . 2]" 1
694 1 19 THR HB 1 20 GLU H . . 4.330 4.239 4.118 4.329 . 0 0 "[ . 1 . 2]" 1
695 1 19 THR HB 1 30 VAL QG . . 3.660 3.255 2.912 3.642 . 0 0 "[ . 1 . 2]" 1
696 1 19 THR HB 1 31 PHE QE . . 4.230 2.746 2.289 3.352 . 0 0 "[ . 1 . 2]" 1
697 1 19 THR HB 1 31 PHE HZ . . 4.910 4.075 3.732 4.609 . 0 0 "[ . 1 . 2]" 1
698 1 19 THR MG 1 20 GLU H . . 3.670 3.426 3.144 3.733 0.063 18 0 "[ . 1 . 2]" 1
699 1 19 THR MG 1 20 GLU HA . . 4.380 4.031 3.867 4.213 . 0 0 "[ . 1 . 2]" 1
700 1 19 THR MG 1 21 ALA H . . 5.000 3.933 3.472 4.256 . 0 0 "[ . 1 . 2]" 1
701 1 19 THR MG 1 21 ALA MB . . 3.250 2.619 2.233 2.935 . 0 0 "[ . 1 . 2]" 1
702 1 19 THR MG 1 27 ALA HA . . 3.500 3.113 2.740 3.561 0.061 14 0 "[ . 1 . 2]" 1
703 1 19 THR MG 1 30 VAL HB . . 3.780 2.979 2.662 3.386 . 0 0 "[ . 1 . 2]" 1
704 1 19 THR MG 1 30 VAL QG . . 3.420 2.137 2.025 2.321 . 0 0 "[ . 1 . 2]" 1
705 1 19 THR MG 1 31 PHE H . . 4.050 4.045 3.807 4.166 0.116 13 0 "[ . 1 . 2]" 1
706 1 19 THR MG 1 31 PHE QE . . 3.910 2.587 2.180 2.795 . 0 0 "[ . 1 . 2]" 1
707 1 19 THR MG 1 31 PHE HZ . . 3.820 2.588 2.299 2.928 . 0 0 "[ . 1 . 2]" 1
708 1 20 GLU H 1 20 GLU QB . . 2.690 2.399 2.286 2.569 . 0 0 "[ . 1 . 2]" 1
709 1 20 GLU H 1 20 GLU QG . . 3.140 2.948 2.594 3.223 0.083 18 0 "[ . 1 . 2]" 1
710 1 20 GLU H 1 21 ALA H . . 4.680 4.334 4.106 4.514 . 0 0 "[ . 1 . 2]" 1
711 1 20 GLU H 1 21 ALA MB . . 5.060 4.752 4.594 4.969 . 0 0 "[ . 1 . 2]" 1
712 1 20 GLU H 1 30 VAL QG . . 5.440 5.082 4.652 5.519 0.079 18 0 "[ . 1 . 2]" 1
713 1 20 GLU HA 1 20 GLU QG . . 3.650 2.288 2.162 2.464 . 0 0 "[ . 1 . 2]" 1
714 1 20 GLU HA 1 21 ALA H . . 2.440 2.179 2.088 2.240 . 0 0 "[ . 1 . 2]" 1
715 1 20 GLU HA 1 21 ALA MB . . 4.770 4.021 3.915 4.140 . 0 0 "[ . 1 . 2]" 1
716 1 20 GLU QB 1 21 ALA H . . 3.480 3.427 3.210 3.552 0.072 3 0 "[ . 1 . 2]" 1
717 1 20 GLU QG 1 21 ALA H . . 4.320 4.101 3.766 4.401 0.081 1 0 "[ . 1 . 2]" 1
718 1 21 ALA H 1 21 ALA MB . . 2.930 2.487 2.406 2.573 . 0 0 "[ . 1 . 2]" 1
719 1 21 ALA H 1 22 VAL H . . 4.660 4.429 4.342 4.505 . 0 0 "[ . 1 . 2]" 1
720 1 21 ALA H 1 22 VAL HA . . 5.200 5.073 4.900 5.219 0.019 3 0 "[ . 1 . 2]" 1
721 1 21 ALA H 1 22 VAL QG . . 5.440 5.261 4.963 5.538 0.098 8 0 "[ . 1 . 2]" 1
722 1 21 ALA H 1 23 ASP H . . 5.500 5.428 5.199 5.554 0.054 19 0 "[ . 1 . 2]" 1
723 1 21 ALA H 1 27 ALA MB . . 5.400 4.239 3.997 4.426 . 0 0 "[ . 1 . 2]" 1
724 1 21 ALA HA 1 22 VAL H . . 2.530 2.198 2.116 2.292 . 0 0 "[ . 1 . 2]" 1
725 1 21 ALA HA 1 23 ASP H . . 4.320 4.238 4.013 4.370 0.050 3 0 "[ . 1 . 2]" 1
726 1 21 ALA MB 1 22 VAL H . . 2.920 2.680 2.553 2.855 . 0 0 "[ . 1 . 2]" 1
727 1 21 ALA MB 1 22 VAL HA . . 4.920 4.402 4.315 4.477 . 0 0 "[ . 1 . 2]" 1
728 1 21 ALA MB 1 22 VAL HB . . 5.500 5.094 4.588 5.533 0.033 16 0 "[ . 1 . 2]" 1
729 1 21 ALA MB 1 23 ASP H . . 2.800 2.848 2.755 2.877 0.077 10 0 "[ . 1 . 2]" 1
730 1 21 ALA MB 1 26 THR HA . . 4.990 4.466 4.324 4.659 . 0 0 "[ . 1 . 2]" 1
731 1 21 ALA MB 1 26 THR HB . . 3.450 2.221 2.022 2.972 . 0 0 "[ . 1 . 2]" 1
732 1 21 ALA MB 1 27 ALA H . . 2.900 2.611 2.391 2.806 . 0 0 "[ . 1 . 2]" 1
733 1 21 ALA MB 1 27 ALA HA . . 3.520 2.427 2.288 2.577 . 0 0 "[ . 1 . 2]" 1
734 1 21 ALA MB 1 27 ALA MB . . 2.880 2.035 1.970 2.148 . 0 0 "[ . 1 . 2]" 1
735 1 21 ALA MB 1 28 GLU H . . 4.990 4.610 4.443 4.814 . 0 0 "[ . 1 . 2]" 1
736 1 22 VAL H 1 22 VAL HB . . 3.660 3.020 2.325 3.700 0.040 3 0 "[ . 1 . 2]" 1
737 1 22 VAL H 1 22 VAL MG1 . . 3.980 2.245 2.001 2.583 . 0 0 "[ . 1 . 2]" 1
738 1 22 VAL H 1 22 VAL QG . . 2.550 2.047 1.818 2.537 . 0 0 "[ . 1 . 2]" 1
739 1 22 VAL H 1 22 VAL MG2 . . 3.980 2.901 1.905 3.772 . 0 0 "[ . 1 . 2]" 1
740 1 22 VAL H 1 23 ASP H . . 2.970 2.719 2.577 2.795 . 0 0 "[ . 1 . 2]" 1
741 1 22 VAL H 1 23 ASP QB . . 5.400 5.152 4.852 5.453 0.053 1 0 "[ . 1 . 2]" 1
742 1 22 VAL H 1 26 THR HB . . 4.010 3.198 2.987 3.347 . 0 0 "[ . 1 . 2]" 1
743 1 22 VAL H 1 26 THR MG . . 4.470 2.945 2.556 3.513 . 0 0 "[ . 1 . 2]" 1
744 1 22 VAL H 1 27 ALA H . . 5.190 5.090 4.958 5.184 . 0 0 "[ . 1 . 2]" 1
745 1 22 VAL H 1 27 ALA MB . . 5.300 5.181 5.052 5.350 0.050 5 0 "[ . 1 . 2]" 1
746 1 22 VAL HA 1 22 VAL QG . . 3.000 2.254 2.137 2.350 . 0 0 "[ . 1 . 2]" 1
747 1 22 VAL HB 1 23 ASP H . . 3.900 3.896 3.708 3.967 0.067 2 0 "[ . 1 . 2]" 1
748 1 22 VAL QG 1 23 ASP H . . 2.910 2.240 2.136 2.409 . 0 0 "[ . 1 . 2]" 1
749 1 22 VAL QG 1 23 ASP QB . . 3.750 2.808 2.348 3.415 . 0 0 "[ . 1 . 2]" 1
750 1 22 VAL QG 1 24 ALA H . . 5.430 5.251 5.067 5.452 0.022 3 0 "[ . 1 . 2]" 1
751 1 22 VAL QG 1 25 ALA H . . 5.100 5.131 4.733 5.204 0.104 7 0 "[ . 1 . 2]" 1
752 1 22 VAL QG 1 26 THR H . . 4.070 3.816 3.608 3.914 . 0 0 "[ . 1 . 2]" 1
753 1 22 VAL QG 1 26 THR HB . . 4.230 2.754 2.260 2.990 . 0 0 "[ . 1 . 2]" 1
754 1 22 VAL QG 1 27 ALA H . . 5.110 4.663 4.430 4.826 . 0 0 "[ . 1 . 2]" 1
755 1 22 VAL MG1 1 23 ASP QB . . 5.240 3.982 2.372 5.301 0.061 7 0 "[ . 1 . 2]" 1
756 1 22 VAL MG2 1 23 ASP QB . . 5.240 3.381 2.564 4.114 . 0 0 "[ . 1 . 2]" 1
757 1 23 ASP H 1 23 ASP QB . . 3.610 2.925 2.584 3.274 . 0 0 "[ . 1 . 2]" 1
758 1 23 ASP H 1 24 ALA H . . 4.440 4.338 4.276 4.403 . 0 0 "[ . 1 . 2]" 1
759 1 23 ASP H 1 24 ALA HA . . 5.030 4.921 4.718 5.092 0.062 19 0 "[ . 1 . 2]" 1
760 1 23 ASP H 1 26 THR H . . 3.620 3.496 3.290 3.653 0.033 1 0 "[ . 1 . 2]" 1
761 1 23 ASP H 1 26 THR HA . . 5.420 5.292 5.160 5.447 0.027 14 0 "[ . 1 . 2]" 1
762 1 23 ASP H 1 26 THR HB . . 3.010 2.536 2.416 2.646 . 0 0 "[ . 1 . 2]" 1
763 1 23 ASP H 1 26 THR MG . . 4.800 3.771 3.430 3.945 . 0 0 "[ . 1 . 2]" 1
764 1 23 ASP H 1 27 ALA MB . . 4.380 4.322 4.098 4.456 0.076 4 0 "[ . 1 . 2]" 1
765 1 23 ASP HA 1 24 ALA H . . 2.740 2.421 2.317 2.498 . 0 0 "[ . 1 . 2]" 1
766 1 23 ASP HA 1 25 ALA H . . 4.520 4.286 4.066 4.443 . 0 0 "[ . 1 . 2]" 1
767 1 23 ASP HA 1 26 THR H . . 4.970 4.926 4.656 5.040 0.070 3 0 "[ . 1 . 2]" 1
768 1 23 ASP HA 1 27 ALA H . . 5.340 5.203 5.069 5.388 0.048 16 0 "[ . 1 . 2]" 1
769 1 23 ASP QB 1 24 ALA H . . 2.430 2.366 2.155 2.504 0.074 12 0 "[ . 1 . 2]" 1
770 1 23 ASP QB 1 24 ALA MB . . 4.220 3.747 3.534 3.919 . 0 0 "[ . 1 . 2]" 1
771 1 23 ASP QB 1 25 ALA H . . 2.940 2.694 2.258 3.012 0.072 9 0 "[ . 1 . 2]" 1
772 1 23 ASP QB 1 25 ALA MB . . 4.870 3.336 2.698 3.974 . 0 0 "[ . 1 . 2]" 1
773 1 23 ASP QB 1 26 THR H . . 4.090 3.392 2.433 4.163 0.073 13 0 "[ . 1 . 2]" 1
774 1 24 ALA H 1 24 ALA MB . . 2.400 2.209 2.133 2.250 . 0 0 "[ . 1 . 2]" 1
775 1 24 ALA H 1 25 ALA H . . 2.780 2.755 2.635 2.830 0.050 4 0 "[ . 1 . 2]" 1
776 1 24 ALA H 1 25 ALA HA . . 5.290 5.316 5.247 5.353 0.063 4 0 "[ . 1 . 2]" 1
777 1 24 ALA H 1 25 ALA MB . . 4.450 4.440 4.276 4.511 0.061 4 0 "[ . 1 . 2]" 1
778 1 24 ALA H 1 27 ALA H . . 5.300 4.793 4.575 4.970 . 0 0 "[ . 1 . 2]" 1
779 1 24 ALA H 1 27 ALA MB . . 4.930 4.503 4.254 4.750 . 0 0 "[ . 1 . 2]" 1
780 1 24 ALA HA 1 26 THR H . . 4.850 4.591 4.334 4.772 . 0 0 "[ . 1 . 2]" 1
781 1 24 ALA HA 1 27 ALA H . . 3.850 3.320 3.040 3.687 . 0 0 "[ . 1 . 2]" 1
782 1 24 ALA HA 1 27 ALA MB . . 3.390 2.334 2.074 2.720 . 0 0 "[ . 1 . 2]" 1
783 1 24 ALA HA 1 28 GLU H . . 4.260 3.767 3.533 4.036 . 0 0 "[ . 1 . 2]" 1
784 1 24 ALA HA 1 53 PHE HZ . . 4.330 3.207 2.840 3.580 . 0 0 "[ . 1 . 2]" 1
785 1 24 ALA MB 1 25 ALA H . . 3.580 2.844 2.555 3.128 . 0 0 "[ . 1 . 2]" 1
786 1 24 ALA MB 1 27 ALA MB . . 4.060 3.540 3.243 3.930 . 0 0 "[ . 1 . 2]" 1
787 1 24 ALA MB 1 28 GLU H . . 5.320 4.261 4.059 4.510 . 0 0 "[ . 1 . 2]" 1
788 1 24 ALA MB 1 46 TYR QE . . 4.340 3.768 3.179 4.414 0.074 18 0 "[ . 1 . 2]" 1
789 1 24 ALA MB 1 53 PHE QE . . 4.100 3.653 3.236 4.160 0.060 19 0 "[ . 1 . 2]" 1
790 1 24 ALA MB 1 53 PHE HZ . . 3.500 2.643 2.161 3.298 . 0 0 "[ . 1 . 2]" 1
791 1 25 ALA H 1 25 ALA MB . . 2.400 2.239 2.136 2.301 . 0 0 "[ . 1 . 2]" 1
792 1 25 ALA H 1 26 THR H . . 2.790 2.709 2.509 2.846 0.056 20 0 "[ . 1 . 2]" 1
793 1 25 ALA H 1 26 THR HA . . 5.500 5.333 5.175 5.458 . 0 0 "[ . 1 . 2]" 1
794 1 25 ALA H 1 27 ALA H . . 4.280 3.988 3.702 4.232 . 0 0 "[ . 1 . 2]" 1
795 1 25 ALA H 1 27 ALA MB . . 4.930 4.598 4.379 4.789 . 0 0 "[ . 1 . 2]" 1
796 1 25 ALA H 1 28 GLU QB . . 5.280 4.782 4.534 5.025 . 0 0 "[ . 1 . 2]" 1
797 1 25 ALA HA 1 28 GLU H . . 3.900 3.584 3.365 3.745 . 0 0 "[ . 1 . 2]" 1
798 1 25 ALA HA 1 28 GLU HB2 . . 4.130 3.644 3.373 4.126 . 0 0 "[ . 1 . 2]" 1
799 1 25 ALA HA 1 28 GLU QB . . 3.510 2.747 2.473 2.965 . 0 0 "[ . 1 . 2]" 1
800 1 25 ALA HA 1 28 GLU HB3 . . 4.130 2.852 2.511 3.160 . 0 0 "[ . 1 . 2]" 1
801 1 25 ALA HA 1 28 GLU QG . . 4.870 4.704 4.056 4.926 0.056 5 0 "[ . 1 . 2]" 1
802 1 25 ALA HA 1 29 LYS H . . 4.730 4.192 3.924 4.612 . 0 0 "[ . 1 . 2]" 1
803 1 25 ALA HA 1 29 LYS QD . . 5.500 5.162 4.708 5.574 0.074 2 0 "[ . 1 . 2]" 1
804 1 25 ALA MB 1 26 THR H . . 2.770 2.478 2.328 2.685 . 0 0 "[ . 1 . 2]" 1
805 1 25 ALA MB 1 26 THR HA . . 4.230 3.916 3.823 4.028 . 0 0 "[ . 1 . 2]" 1
806 1 25 ALA MB 1 29 LYS QE . . 5.040 2.631 1.979 3.517 . 0 0 "[ . 1 . 2]" 1
807 1 26 THR H 1 26 THR HA . . 2.890 2.841 2.778 2.907 0.017 17 0 "[ . 1 . 2]" 1
808 1 26 THR H 1 26 THR HB . . 3.100 2.566 2.396 2.890 . 0 0 "[ . 1 . 2]" 1
809 1 26 THR H 1 26 THR MG . . 4.540 3.723 3.560 3.828 . 0 0 "[ . 1 . 2]" 1
810 1 26 THR H 1 27 ALA H . . 2.810 2.686 2.473 2.800 . 0 0 "[ . 1 . 2]" 1
811 1 26 THR H 1 29 LYS H . . 5.030 4.827 4.566 4.993 . 0 0 "[ . 1 . 2]" 1
812 1 26 THR H 1 29 LYS QB . . 5.500 5.134 4.748 5.519 0.019 15 0 "[ . 1 . 2]" 1
813 1 26 THR H 1 29 LYS QD . . 5.500 5.118 4.106 5.593 0.093 3 0 "[ . 1 . 2]" 1
814 1 26 THR H 1 29 LYS QG . . 5.180 5.138 4.998 5.254 0.074 2 0 "[ . 1 . 2]" 1
815 1 26 THR HA 1 26 THR MG . . 3.160 2.412 2.216 2.560 . 0 0 "[ . 1 . 2]" 1
816 1 26 THR HA 1 28 GLU H . . 4.760 4.687 4.401 4.812 0.052 9 0 "[ . 1 . 2]" 1
817 1 26 THR HA 1 29 LYS H . . 4.050 3.535 3.044 3.803 . 0 0 "[ . 1 . 2]" 1
818 1 26 THR HA 1 29 LYS QB . . 3.680 2.786 2.138 3.079 . 0 0 "[ . 1 . 2]" 1
819 1 26 THR HA 1 29 LYS QD . . 4.590 3.278 2.056 4.157 . 0 0 "[ . 1 . 2]" 1
820 1 26 THR HA 1 29 LYS QE . . 5.130 2.508 1.784 3.743 . 0 0 "[ . 1 . 2]" 1
821 1 26 THR HA 1 29 LYS QG . . 4.380 3.749 3.200 4.063 . 0 0 "[ . 1 . 2]" 1
822 1 26 THR HA 1 30 VAL H . . 4.060 3.968 3.640 4.113 0.053 17 0 "[ . 1 . 2]" 1
823 1 26 THR HB 1 27 ALA H . . 2.940 2.538 2.263 2.946 0.006 14 0 "[ . 1 . 2]" 1
824 1 26 THR HB 1 27 ALA MB . . 4.880 3.939 3.701 4.363 . 0 0 "[ . 1 . 2]" 1
825 1 26 THR HB 1 30 VAL H . . 5.500 5.554 5.431 5.577 0.077 3 0 "[ . 1 . 2]" 1
826 1 26 THR MG 1 27 ALA H . . 4.710 3.645 3.379 4.045 . 0 0 "[ . 1 . 2]" 1
827 1 26 THR MG 1 27 ALA HA . . 4.370 3.790 3.292 4.459 0.089 18 0 "[ . 1 . 2]" 1
828 1 26 THR MG 1 29 LYS H . . 4.980 4.845 4.482 5.060 0.080 9 0 "[ . 1 . 2]" 1
829 1 26 THR MG 1 30 VAL H . . 4.530 4.031 3.650 4.396 . 0 0 "[ . 1 . 2]" 1
830 1 27 ALA H 1 27 ALA MB . . 2.520 2.204 2.168 2.237 . 0 0 "[ . 1 . 2]" 1
831 1 27 ALA H 1 28 GLU H . . 2.790 2.812 2.740 2.856 0.066 13 0 "[ . 1 . 2]" 1
832 1 27 ALA H 1 28 GLU HA . . 5.460 5.389 5.333 5.436 . 0 0 "[ . 1 . 2]" 1
833 1 27 ALA H 1 28 GLU HB2 . . 5.500 5.029 4.846 5.293 . 0 0 "[ . 1 . 2]" 1
834 1 27 ALA H 1 28 GLU QB . . 4.690 4.402 4.173 4.594 . 0 0 "[ . 1 . 2]" 1
835 1 27 ALA H 1 28 GLU HB3 . . 5.500 4.882 4.423 5.159 . 0 0 "[ . 1 . 2]" 1
836 1 27 ALA H 1 29 LYS QB . . 5.500 5.129 4.886 5.372 . 0 0 "[ . 1 . 2]" 1
837 1 27 ALA H 1 30 VAL QG . . 4.980 4.825 4.729 4.940 . 0 0 "[ . 1 . 2]" 1
838 1 27 ALA HA 1 28 GLU HA . . 5.150 4.847 4.760 4.952 . 0 0 "[ . 1 . 2]" 1
839 1 27 ALA HA 1 29 LYS H . . 4.520 4.497 4.407 4.570 0.050 7 0 "[ . 1 . 2]" 1
840 1 27 ALA HA 1 30 VAL H . . 3.700 3.710 3.540 3.765 0.065 8 0 "[ . 1 . 2]" 1
841 1 27 ALA HA 1 30 VAL HB . . 3.560 2.866 2.711 2.981 . 0 0 "[ . 1 . 2]" 1
842 1 27 ALA HA 1 30 VAL MG1 . . 4.520 4.039 3.833 4.224 . 0 0 "[ . 1 . 2]" 1
843 1 27 ALA HA 1 30 VAL QG . . 3.400 3.477 3.339 3.505 0.105 13 0 "[ . 1 . 2]" 1
844 1 27 ALA HA 1 30 VAL MG2 . . 4.520 3.801 3.576 3.985 . 0 0 "[ . 1 . 2]" 1
845 1 27 ALA HA 1 31 PHE H . . 4.200 3.917 3.820 4.067 . 0 0 "[ . 1 . 2]" 1
846 1 27 ALA HA 1 53 PHE QE . . 5.500 4.835 4.331 5.229 . 0 0 "[ . 1 . 2]" 1
847 1 27 ALA MB 1 28 GLU H . . 2.820 2.308 2.247 2.394 . 0 0 "[ . 1 . 2]" 1
848 1 27 ALA MB 1 28 GLU HA . . 4.330 3.773 3.712 3.849 . 0 0 "[ . 1 . 2]" 1
849 1 27 ALA MB 1 28 GLU HB2 . . 4.910 3.775 3.605 3.918 . 0 0 "[ . 1 . 2]" 1
850 1 27 ALA MB 1 28 GLU HB3 . . 4.910 4.439 4.136 4.670 . 0 0 "[ . 1 . 2]" 1
851 1 27 ALA MB 1 29 LYS H . . 4.630 4.502 4.408 4.582 . 0 0 "[ . 1 . 2]" 1
852 1 27 ALA MB 1 31 PHE QD . . 5.050 3.390 2.832 3.767 . 0 0 "[ . 1 . 2]" 1
853 1 27 ALA MB 1 31 PHE QE . . 3.640 3.056 2.161 3.712 0.072 8 0 "[ . 1 . 2]" 1
854 1 27 ALA MB 1 31 PHE HZ . . 5.190 4.383 3.712 4.945 . 0 0 "[ . 1 . 2]" 1
855 1 27 ALA MB 1 53 PHE QD . . 4.710 3.821 3.547 4.202 . 0 0 "[ . 1 . 2]" 1
856 1 27 ALA MB 1 53 PHE QE . . 3.550 2.273 2.063 2.634 . 0 0 "[ . 1 . 2]" 1
857 1 27 ALA MB 1 53 PHE HZ . . 4.740 2.838 2.554 3.114 . 0 0 "[ . 1 . 2]" 1
858 1 28 GLU H 1 28 GLU HA . . 2.910 2.786 2.747 2.845 . 0 0 "[ . 1 . 2]" 1
859 1 28 GLU H 1 28 GLU HB2 . . 2.870 2.358 2.229 2.533 . 0 0 "[ . 1 . 2]" 1
860 1 28 GLU H 1 28 GLU QB . . 2.410 2.139 2.053 2.228 . 0 0 "[ . 1 . 2]" 1
861 1 28 GLU H 1 28 GLU HB3 . . 2.870 2.486 2.178 2.658 . 0 0 "[ . 1 . 2]" 1
862 1 28 GLU H 1 28 GLU QG . . 4.230 3.912 3.855 3.981 . 0 0 "[ . 1 . 2]" 1
863 1 28 GLU H 1 29 LYS H . . 2.830 2.841 2.791 2.883 0.053 7 0 "[ . 1 . 2]" 1
864 1 28 GLU H 1 29 LYS QE . . 5.500 5.173 4.796 5.581 0.081 19 0 "[ . 1 . 2]" 1
865 1 28 GLU H 1 30 VAL H . . 4.460 4.463 4.378 4.512 0.052 13 0 "[ . 1 . 2]" 1
866 1 28 GLU H 1 30 VAL QG . . 5.440 5.316 5.223 5.397 . 0 0 "[ . 1 . 2]" 1
867 1 28 GLU H 1 31 PHE HB2 . . 5.500 4.967 4.742 5.110 . 0 0 "[ . 1 . 2]" 1
868 1 28 GLU H 1 31 PHE QD . . 5.070 4.678 3.972 5.141 0.071 15 0 "[ . 1 . 2]" 1
869 1 28 GLU H 1 53 PHE QD . . 5.500 5.434 5.192 5.569 0.069 19 0 "[ . 1 . 2]" 1
870 1 28 GLU H 1 53 PHE HZ . . 5.410 3.337 3.031 3.567 . 0 0 "[ . 1 . 2]" 1
871 1 28 GLU HA 1 28 GLU QG . . 3.270 2.462 2.311 2.701 . 0 0 "[ . 1 . 2]" 1
872 1 28 GLU HA 1 29 LYS H . . 3.560 3.580 3.544 3.609 0.049 14 0 "[ . 1 . 2]" 1
873 1 28 GLU HA 1 29 LYS HA . . 5.290 4.819 4.780 4.852 . 0 0 "[ . 1 . 2]" 1
874 1 28 GLU HA 1 30 VAL H . . 5.070 4.762 4.620 4.881 . 0 0 "[ . 1 . 2]" 1
875 1 28 GLU HA 1 31 PHE H . . 4.020 3.743 3.533 3.921 . 0 0 "[ . 1 . 2]" 1
876 1 28 GLU HA 1 31 PHE HB2 . . 3.840 2.774 2.516 2.986 . 0 0 "[ . 1 . 2]" 1
877 1 28 GLU HA 1 31 PHE HB3 . . 4.760 4.346 4.047 4.589 . 0 0 "[ . 1 . 2]" 1
878 1 28 GLU HA 1 31 PHE QD . . 4.730 3.225 2.678 3.721 . 0 0 "[ . 1 . 2]" 1
879 1 28 GLU HA 1 32 LYS H . . 4.360 3.869 3.705 4.187 . 0 0 "[ . 1 . 2]" 1
880 1 28 GLU HA 1 53 PHE QE . . 4.680 3.720 3.308 4.073 . 0 0 "[ . 1 . 2]" 1
881 1 28 GLU QB 1 29 LYS H . . 3.280 2.629 2.380 2.833 . 0 0 "[ . 1 . 2]" 1
882 1 28 GLU QB 1 30 VAL H . . 5.240 4.943 4.801 5.081 . 0 0 "[ . 1 . 2]" 1
883 1 28 GLU QB 1 53 PHE HZ . . 5.180 2.761 2.383 3.164 . 0 0 "[ . 1 . 2]" 1
884 1 28 GLU HB2 1 29 LYS H . . 4.160 3.925 3.753 4.109 . 0 0 "[ . 1 . 2]" 1
885 1 28 GLU HB2 1 53 PHE QE . . 4.660 2.858 2.334 3.167 . 0 0 "[ . 1 . 2]" 1
886 1 28 GLU HB3 1 29 LYS H . . 4.160 2.672 2.407 2.887 . 0 0 "[ . 1 . 2]" 1
887 1 28 GLU HB3 1 53 PHE QE . . 4.660 4.388 3.924 4.680 0.020 15 0 "[ . 1 . 2]" 1
888 1 28 GLU QG 1 29 LYS H . . 4.340 3.739 3.313 4.069 . 0 0 "[ . 1 . 2]" 1
889 1 28 GLU QG 1 29 LYS HA . . 4.680 3.868 3.505 4.213 . 0 0 "[ . 1 . 2]" 1
890 1 28 GLU QG 1 31 PHE H . . 5.450 5.287 5.073 5.491 0.041 2 0 "[ . 1 . 2]" 1
891 1 28 GLU QG 1 31 PHE HB2 . . 5.050 4.369 3.954 4.720 . 0 0 "[ . 1 . 2]" 1
892 1 28 GLU QG 1 32 LYS H . . 4.930 4.208 3.982 4.441 . 0 0 "[ . 1 . 2]" 1
893 1 28 GLU QG 1 32 LYS HD2 . . 4.830 4.482 3.956 4.898 0.068 20 0 "[ . 1 . 2]" 1
894 1 28 GLU QG 1 32 LYS HG2 . . 4.210 4.048 3.728 4.274 0.064 18 0 "[ . 1 . 2]" 1
895 1 28 GLU QG 1 32 LYS HG3 . . 3.760 2.817 2.617 3.125 . 0 0 "[ . 1 . 2]" 1
896 1 28 GLU QG 1 44 TRP HZ3 . . 5.370 4.708 4.066 5.098 . 0 0 "[ . 1 . 2]" 1
897 1 28 GLU QG 1 53 PHE QD . . 5.090 3.864 3.112 4.826 . 0 0 "[ . 1 . 2]" 1
898 1 28 GLU QG 1 53 PHE QE . . 4.490 3.213 2.441 4.242 . 0 0 "[ . 1 . 2]" 1
899 1 29 LYS H 1 29 LYS QB . . 2.550 2.370 2.291 2.474 . 0 0 "[ . 1 . 2]" 1
900 1 29 LYS H 1 29 LYS QD . . 4.940 3.958 3.412 4.394 . 0 0 "[ . 1 . 2]" 1
901 1 29 LYS H 1 29 LYS QE . . 5.500 3.601 3.236 4.082 . 0 0 "[ . 1 . 2]" 1
902 1 29 LYS H 1 29 LYS HG2 . . 3.770 3.686 3.498 3.824 0.054 14 0 "[ . 1 . 2]" 1
903 1 29 LYS H 1 29 LYS QG . . 2.940 2.382 2.233 2.604 . 0 0 "[ . 1 . 2]" 1
904 1 29 LYS H 1 29 LYS HG3 . . 3.770 2.413 2.259 2.650 . 0 0 "[ . 1 . 2]" 1
905 1 29 LYS H 1 30 VAL H . . 2.690 2.721 2.625 2.753 0.063 16 0 "[ . 1 . 2]" 1
906 1 29 LYS H 1 30 VAL HA . . 5.310 5.335 5.268 5.368 0.058 12 0 "[ . 1 . 2]" 1
907 1 29 LYS H 1 30 VAL QG . . 4.700 4.330 4.215 4.471 . 0 0 "[ . 1 . 2]" 1
908 1 29 LYS H 1 31 PHE H . . 4.330 4.227 4.085 4.392 0.062 13 0 "[ . 1 . 2]" 1
909 1 29 LYS H 1 31 PHE HB2 . . 5.500 5.146 4.931 5.327 . 0 0 "[ . 1 . 2]" 1
910 1 29 LYS H 1 32 LYS H . . 4.920 4.552 4.452 4.658 . 0 0 "[ . 1 . 2]" 1
911 1 29 LYS HA 1 29 LYS QD . . 5.100 4.082 3.992 4.169 . 0 0 "[ . 1 . 2]" 1
912 1 29 LYS HA 1 29 LYS QE . . 5.500 4.606 4.404 5.074 . 0 0 "[ . 1 . 2]" 1
913 1 29 LYS HA 1 29 LYS HG2 . . 3.630 2.601 2.379 2.862 . 0 0 "[ . 1 . 2]" 1
914 1 29 LYS HA 1 29 LYS HG3 . . 3.630 2.918 2.774 3.112 . 0 0 "[ . 1 . 2]" 1
915 1 29 LYS HA 1 31 PHE H . . 4.950 4.692 4.558 4.930 . 0 0 "[ . 1 . 2]" 1
916 1 29 LYS HA 1 32 LYS H . . 3.690 3.415 3.294 3.573 . 0 0 "[ . 1 . 2]" 1
917 1 29 LYS HA 1 32 LYS HB2 . . 3.540 2.478 2.267 2.634 . 0 0 "[ . 1 . 2]" 1
918 1 29 LYS HA 1 32 LYS HB3 . . 4.180 3.964 3.648 4.233 0.053 16 0 "[ . 1 . 2]" 1
919 1 29 LYS HA 1 32 LYS HD2 . . 5.280 4.514 3.857 4.850 . 0 0 "[ . 1 . 2]" 1
920 1 29 LYS HA 1 32 LYS HD3 . . 5.500 5.521 5.251 5.578 0.078 15 0 "[ . 1 . 2]" 1
921 1 29 LYS HA 1 32 LYS HG2 . . 5.180 5.087 4.849 5.239 0.059 18 0 "[ . 1 . 2]" 1
922 1 29 LYS HA 1 32 LYS HG3 . . 5.210 3.761 3.462 3.950 . 0 0 "[ . 1 . 2]" 1
923 1 29 LYS HA 1 33 GLN H . . 4.580 4.041 3.898 4.212 . 0 0 "[ . 1 . 2]" 1
924 1 29 LYS QB 1 30 VAL H . . 2.730 2.382 2.185 2.520 . 0 0 "[ . 1 . 2]" 1
925 1 29 LYS QB 1 33 GLN H . . 5.500 4.759 4.595 4.955 . 0 0 "[ . 1 . 2]" 1
926 1 29 LYS QE 1 30 VAL H . . 5.500 4.784 4.087 5.583 0.083 11 0 "[ . 1 . 2]" 1
927 1 29 LYS QG 1 30 VAL H . . 4.500 4.140 4.006 4.256 . 0 0 "[ . 1 . 2]" 1
928 1 30 VAL H 1 30 VAL HA . . 2.830 2.839 2.804 2.870 0.040 7 0 "[ . 1 . 2]" 1
929 1 30 VAL H 1 30 VAL HB . . 2.540 2.307 2.193 2.383 . 0 0 "[ . 1 . 2]" 1
930 1 30 VAL H 1 30 VAL MG1 . . 3.840 3.744 3.684 3.786 . 0 0 "[ . 1 . 2]" 1
931 1 30 VAL H 1 30 VAL QG . . 2.520 2.292 2.226 2.442 . 0 0 "[ . 1 . 2]" 1
932 1 30 VAL H 1 30 VAL MG2 . . 3.840 2.314 2.243 2.478 . 0 0 "[ . 1 . 2]" 1
933 1 30 VAL H 1 31 PHE H . . 2.960 2.822 2.723 2.912 . 0 0 "[ . 1 . 2]" 1
934 1 30 VAL H 1 31 PHE HA . . 5.440 5.396 5.297 5.473 0.033 15 0 "[ . 1 . 2]" 1
935 1 30 VAL H 1 31 PHE HB2 . . 5.500 4.832 4.720 4.878 . 0 0 "[ . 1 . 2]" 1
936 1 30 VAL H 1 31 PHE QD . . 5.500 5.395 5.077 5.563 0.063 6 0 "[ . 1 . 2]" 1
937 1 30 VAL H 1 32 LYS H . . 4.170 4.184 4.078 4.223 0.053 17 0 "[ . 1 . 2]" 1
938 1 30 VAL H 1 33 GLN QB . . 5.500 5.022 4.757 5.194 . 0 0 "[ . 1 . 2]" 1
939 1 30 VAL HA 1 30 VAL MG1 . . 3.190 2.632 2.584 2.734 . 0 0 "[ . 1 . 2]" 1
940 1 30 VAL HA 1 30 VAL QG . . 2.720 2.090 2.058 2.114 . 0 0 "[ . 1 . 2]" 1
941 1 30 VAL HA 1 30 VAL MG2 . . 3.190 2.194 2.148 2.226 . 0 0 "[ . 1 . 2]" 1
942 1 30 VAL HA 1 32 LYS H . . 4.570 4.538 4.417 4.606 0.036 19 0 "[ . 1 . 2]" 1
943 1 30 VAL HA 1 33 GLN H . . 4.070 3.688 3.561 3.805 . 0 0 "[ . 1 . 2]" 1
944 1 30 VAL HA 1 33 GLN QB . . 3.790 2.956 2.626 3.180 . 0 0 "[ . 1 . 2]" 1
945 1 30 VAL HA 1 33 GLN QG . . 5.010 4.424 3.823 4.798 . 0 0 "[ . 1 . 2]" 1
946 1 30 VAL HA 1 34 TYR H . . 5.260 4.214 4.125 4.318 . 0 0 "[ . 1 . 2]" 1
947 1 30 VAL HB 1 31 PHE H . . 2.830 2.631 2.488 2.740 . 0 0 "[ . 1 . 2]" 1
948 1 30 VAL QG 1 31 PHE H . . 3.510 2.996 2.741 3.100 . 0 0 "[ . 1 . 2]" 1
949 1 30 VAL QG 1 31 PHE QD . . 4.760 3.014 2.719 3.402 . 0 0 "[ . 1 . 2]" 1
950 1 30 VAL QG 1 33 GLN H . . 5.240 4.574 4.466 4.657 . 0 0 "[ . 1 . 2]" 1
951 1 30 VAL QG 1 33 GLN QB . . 5.310 3.730 3.564 3.857 . 0 0 "[ . 1 . 2]" 1
952 1 30 VAL QG 1 34 TYR H . . 4.660 4.128 4.051 4.201 . 0 0 "[ . 1 . 2]" 1
953 1 30 VAL QG 1 34 TYR QB . . 4.530 3.394 3.253 3.525 . 0 0 "[ . 1 . 2]" 1
954 1 30 VAL QG 1 34 TYR QD . . 5.220 4.235 3.423 4.809 . 0 0 "[ . 1 . 2]" 1
955 1 30 VAL MG1 1 31 PHE H . . 4.000 3.096 2.795 3.226 . 0 0 "[ . 1 . 2]" 1
956 1 30 VAL MG1 1 34 TYR H . . 5.500 4.252 4.158 4.342 . 0 0 "[ . 1 . 2]" 1
957 1 30 VAL MG2 1 31 PHE H . . 4.000 3.998 3.939 4.068 0.068 7 0 "[ . 1 . 2]" 1
958 1 30 VAL MG2 1 34 TYR H . . 5.500 5.588 5.562 5.603 0.103 11 0 "[ . 1 . 2]" 1
959 1 31 PHE H 1 31 PHE HB2 . . 2.850 2.345 2.272 2.469 . 0 0 "[ . 1 . 2]" 1
960 1 31 PHE H 1 31 PHE HB3 . . 3.660 3.539 3.491 3.582 . 0 0 "[ . 1 . 2]" 1
961 1 31 PHE H 1 31 PHE QD . . 3.830 3.294 3.143 3.403 . 0 0 "[ . 1 . 2]" 1
962 1 31 PHE H 1 31 PHE QE . . 5.260 4.828 4.428 5.017 . 0 0 "[ . 1 . 2]" 1
963 1 31 PHE H 1 32 LYS H . . 2.800 2.834 2.774 2.877 0.077 13 0 "[ . 1 . 2]" 1
964 1 31 PHE H 1 32 LYS HA . . 5.500 5.430 5.359 5.498 . 0 0 "[ . 1 . 2]" 1
965 1 31 PHE H 1 33 GLN H . . 4.500 4.421 4.362 4.526 0.026 13 0 "[ . 1 . 2]" 1
966 1 31 PHE H 1 33 GLN QB . . 5.260 5.075 4.882 5.223 . 0 0 "[ . 1 . 2]" 1
967 1 31 PHE H 1 34 TYR H . . 4.920 4.657 4.591 4.725 . 0 0 "[ . 1 . 2]" 1
968 1 31 PHE HA 1 33 GLN H . . 4.510 4.448 4.389 4.561 0.051 3 0 "[ . 1 . 2]" 1
969 1 31 PHE HA 1 34 TYR H . . 3.440 3.126 3.044 3.275 . 0 0 "[ . 1 . 2]" 1
970 1 31 PHE HA 1 34 TYR QB . . 4.370 2.367 2.299 2.528 . 0 0 "[ . 1 . 2]" 1
971 1 31 PHE HA 1 35 ALA H . . 4.180 3.753 3.658 3.900 . 0 0 "[ . 1 . 2]" 1
972 1 31 PHE HB2 1 32 LYS H . . 3.330 2.832 2.626 2.938 . 0 0 "[ . 1 . 2]" 1
973 1 31 PHE HB2 1 33 GLN H . . 5.470 5.305 5.173 5.382 . 0 0 "[ . 1 . 2]" 1
974 1 31 PHE HB2 1 34 TYR H . . 5.500 5.419 5.322 5.487 . 0 0 "[ . 1 . 2]" 1
975 1 31 PHE HB2 1 44 TRP HH2 . . 4.250 4.189 4.004 4.300 0.050 17 0 "[ . 1 . 2]" 1
976 1 31 PHE HB2 1 44 TRP HZ3 . . 4.790 2.978 2.827 3.113 . 0 0 "[ . 1 . 2]" 1
977 1 31 PHE HB3 1 32 LYS H . . 4.580 3.657 3.586 3.757 . 0 0 "[ . 1 . 2]" 1
978 1 31 PHE HB3 1 44 TRP HH2 . . 3.720 3.224 3.012 3.397 . 0 0 "[ . 1 . 2]" 1
979 1 31 PHE HB3 1 44 TRP HZ3 . . 3.980 2.226 2.147 2.388 . 0 0 "[ . 1 . 2]" 1
980 1 31 PHE QD 1 34 TYR H . . 5.160 4.791 4.643 5.075 . 0 0 "[ . 1 . 2]" 1
981 1 31 PHE QD 1 34 TYR QB . . 4.900 3.159 2.998 3.430 . 0 0 "[ . 1 . 2]" 1
982 1 31 PHE QD 1 53 PHE H . . 5.050 4.818 4.534 5.126 0.076 16 0 "[ . 1 . 2]" 1
983 1 31 PHE QD 1 53 PHE QD . . 4.910 2.758 2.152 3.498 . 0 0 "[ . 1 . 2]" 1
984 1 31 PHE QE 1 53 PHE H . . 4.660 4.167 3.746 4.723 0.063 16 0 "[ . 1 . 2]" 1
985 1 32 LYS H 1 32 LYS HA . . 2.860 2.857 2.835 2.890 0.030 12 0 "[ . 1 . 2]" 1
986 1 32 LYS H 1 32 LYS HB2 . . 2.620 2.245 2.129 2.346 . 0 0 "[ . 1 . 2]" 1
987 1 32 LYS H 1 32 LYS HB3 . . 3.520 3.506 3.407 3.573 0.053 16 0 "[ . 1 . 2]" 1
988 1 32 LYS H 1 32 LYS HD2 . . 5.280 5.092 4.699 5.268 . 0 0 "[ . 1 . 2]" 1
989 1 32 LYS H 1 32 LYS HG2 . . 3.600 3.545 3.423 3.659 0.059 7 0 "[ . 1 . 2]" 1
990 1 32 LYS H 1 32 LYS HG3 . . 3.530 3.336 2.858 3.589 0.059 5 0 "[ . 1 . 2]" 1
991 1 32 LYS H 1 33 GLN H . . 2.860 2.799 2.747 2.874 0.014 20 0 "[ . 1 . 2]" 1
992 1 32 LYS H 1 33 GLN HA . . 5.400 5.376 5.347 5.408 0.008 13 0 "[ . 1 . 2]" 1
993 1 32 LYS H 1 33 GLN QB . . 4.800 4.454 4.300 4.556 . 0 0 "[ . 1 . 2]" 1
994 1 32 LYS H 1 34 TYR H . . 4.110 4.074 4.000 4.138 0.028 15 0 "[ . 1 . 2]" 1
995 1 32 LYS H 1 44 TRP HH2 . . 4.050 3.891 3.811 4.007 . 0 0 "[ . 1 . 2]" 1
996 1 32 LYS H 1 44 TRP HZ3 . . 4.360 4.140 4.033 4.310 . 0 0 "[ . 1 . 2]" 1
997 1 32 LYS HA 1 32 LYS HD2 . . 4.490 4.391 4.175 4.539 0.049 16 0 "[ . 1 . 2]" 1
998 1 32 LYS HA 1 32 LYS HD3 . . 3.830 3.473 3.012 3.883 0.053 7 0 "[ . 1 . 2]" 1
999 1 32 LYS HA 1 32 LYS HG2 . . 3.290 2.081 2.010 2.135 . 0 0 "[ . 1 . 2]" 1
1000 1 32 LYS HA 1 32 LYS HG3 . . 4.030 3.303 3.083 3.432 . 0 0 "[ . 1 . 2]" 1
1001 1 32 LYS HA 1 34 TYR H . . 4.470 4.390 4.282 4.460 . 0 0 "[ . 1 . 2]" 1
1002 1 32 LYS HA 1 35 ALA H . . 3.830 3.503 3.423 3.607 . 0 0 "[ . 1 . 2]" 1
1003 1 32 LYS HA 1 35 ALA MB . . 3.260 2.828 2.709 2.987 . 0 0 "[ . 1 . 2]" 1
1004 1 32 LYS HA 1 36 ASN H . . 3.960 3.825 3.737 3.927 . 0 0 "[ . 1 . 2]" 1
1005 1 32 LYS HA 1 44 TRP HE1 . . 4.890 4.928 4.858 4.960 0.070 11 0 "[ . 1 . 2]" 1
1006 1 32 LYS HA 1 44 TRP HH2 . . 3.400 2.243 2.176 2.304 . 0 0 "[ . 1 . 2]" 1
1007 1 32 LYS HA 1 44 TRP HZ2 . . 3.160 2.649 2.543 2.714 . 0 0 "[ . 1 . 2]" 1
1008 1 32 LYS HA 1 44 TRP HZ3 . . 4.670 3.877 3.732 4.048 . 0 0 "[ . 1 . 2]" 1
1009 1 32 LYS HB2 1 32 LYS HD2 . . 4.120 3.145 2.798 3.367 . 0 0 "[ . 1 . 2]" 1
1010 1 32 LYS HB2 1 33 GLN H . . 3.000 2.819 2.650 2.947 . 0 0 "[ . 1 . 2]" 1
1011 1 32 LYS HB2 1 34 TYR H . . 5.150 5.130 5.000 5.196 0.046 15 0 "[ . 1 . 2]" 1
1012 1 32 LYS HB3 1 32 LYS HD2 . . 3.920 2.660 2.504 2.882 . 0 0 "[ . 1 . 2]" 1
1013 1 32 LYS HB3 1 32 LYS HD3 . . 4.210 2.259 2.189 2.354 . 0 0 "[ . 1 . 2]" 1
1014 1 32 LYS HB3 1 33 GLN H . . 3.200 3.075 2.944 3.241 0.041 16 0 "[ . 1 . 2]" 1
1015 1 32 LYS HB3 1 34 TYR H . . 5.220 5.242 5.143 5.276 0.056 8 0 "[ . 1 . 2]" 1
1016 1 32 LYS HB3 1 36 ASN H . . 5.350 4.922 4.749 5.088 . 0 0 "[ . 1 . 2]" 1
1017 1 32 LYS HD2 1 32 LYS HG3 . . 2.870 2.423 2.384 2.497 . 0 0 "[ . 1 . 2]" 1
1018 1 32 LYS HD2 1 33 GLN H . . 5.500 5.540 5.411 5.570 0.070 13 0 "[ . 1 . 2]" 1
1019 1 32 LYS HD3 1 33 GLN H . . 5.500 5.245 4.977 5.547 0.047 16 0 "[ . 1 . 2]" 1
1020 1 32 LYS HD3 1 44 TRP HE1 . . 4.760 4.454 4.208 4.750 . 0 0 "[ . 1 . 2]" 1
1021 1 32 LYS HD3 1 44 TRP HZ2 . . 4.920 4.122 3.560 4.713 . 0 0 "[ . 1 . 2]" 1
1022 1 32 LYS QE 1 32 LYS HG2 . . 3.540 2.289 2.161 2.409 . 0 0 "[ . 1 . 2]" 1
1023 1 32 LYS QE 1 32 LYS HG3 . . 3.660 2.702 2.383 3.171 . 0 0 "[ . 1 . 2]" 1
1024 1 32 LYS QE 1 44 TRP H . . 5.340 5.340 5.102 5.417 0.077 19 0 "[ . 1 . 2]" 1
1025 1 32 LYS QE 1 44 TRP HD1 . . 4.990 3.461 3.305 3.779 . 0 0 "[ . 1 . 2]" 1
1026 1 32 LYS QE 1 44 TRP HE1 . . 3.500 2.809 2.303 3.574 0.074 18 0 "[ . 1 . 2]" 1
1027 1 32 LYS QE 1 44 TRP HZ2 . . 5.160 3.643 3.190 4.382 . 0 0 "[ . 1 . 2]" 1
1028 1 32 LYS HE2 1 32 LYS HG2 . . 4.160 2.786 2.188 3.661 . 0 0 "[ . 1 . 2]" 1
1029 1 32 LYS HE3 1 32 LYS HG2 . . 4.160 2.824 2.369 3.613 . 0 0 "[ . 1 . 2]" 1
1030 1 32 LYS HG2 1 33 GLN H . . 4.980 4.891 4.848 4.945 . 0 0 "[ . 1 . 2]" 1
1031 1 32 LYS HG2 1 35 ALA MB . . 4.950 4.175 4.049 4.380 . 0 0 "[ . 1 . 2]" 1
1032 1 32 LYS HG2 1 36 ASN H . . 5.500 5.551 5.484 5.571 0.071 15 0 "[ . 1 . 2]" 1
1033 1 32 LYS HG2 1 44 TRP HE1 . . 4.150 4.056 3.913 4.203 0.053 15 0 "[ . 1 . 2]" 1
1034 1 32 LYS HG2 1 44 TRP HH2 . . 5.030 3.496 3.390 3.646 . 0 0 "[ . 1 . 2]" 1
1035 1 32 LYS HG2 1 44 TRP HZ2 . . 4.420 3.078 2.927 3.212 . 0 0 "[ . 1 . 2]" 1
1036 1 32 LYS HG3 1 44 TRP HE1 . . 5.500 5.490 5.357 5.565 0.065 3 0 "[ . 1 . 2]" 1
1037 1 32 LYS HG3 1 44 TRP HH2 . . 5.500 4.837 4.567 5.046 . 0 0 "[ . 1 . 2]" 1
1038 1 32 LYS HG3 1 44 TRP HZ2 . . 5.300 4.821 4.682 4.977 . 0 0 "[ . 1 . 2]" 1
1039 1 33 GLN H 1 33 GLN HA . . 2.860 2.812 2.788 2.845 . 0 0 "[ . 1 . 2]" 1
1040 1 33 GLN H 1 33 GLN QB . . 2.570 2.170 2.101 2.239 . 0 0 "[ . 1 . 2]" 1
1041 1 33 GLN H 1 33 GLN HE21 . . 4.910 4.965 4.861 4.981 0.071 18 0 "[ . 1 . 2]" 1
1042 1 33 GLN H 1 33 GLN QG . . 4.110 3.992 3.860 4.076 . 0 0 "[ . 1 . 2]" 1
1043 1 33 GLN H 1 34 TYR H . . 2.600 2.675 2.666 2.683 0.083 12 0 "[ . 1 . 2]" 1
1044 1 33 GLN H 1 34 TYR HA . . 5.490 5.301 5.277 5.329 . 0 0 "[ . 1 . 2]" 1
1045 1 33 GLN H 1 34 TYR QB . . 4.510 4.448 4.384 4.489 . 0 0 "[ . 1 . 2]" 1
1046 1 33 GLN H 1 35 ALA H . . 4.550 4.309 4.215 4.374 . 0 0 "[ . 1 . 2]" 1
1047 1 33 GLN H 1 35 ALA MB . . 5.500 5.045 4.985 5.175 . 0 0 "[ . 1 . 2]" 1
1048 1 33 GLN H 1 36 ASN QB . . 5.150 4.854 4.694 4.981 . 0 0 "[ . 1 . 2]" 1
1049 1 33 GLN H 1 44 TRP HH2 . . 5.300 5.124 5.058 5.205 . 0 0 "[ . 1 . 2]" 1
1050 1 33 GLN HA 1 33 GLN HE21 . . 3.860 2.389 2.209 2.676 . 0 0 "[ . 1 . 2]" 1
1051 1 33 GLN HA 1 33 GLN HE22 . . 4.230 3.509 3.393 3.716 . 0 0 "[ . 1 . 2]" 1
1052 1 33 GLN HA 1 33 GLN QG . . 3.470 2.815 2.563 3.141 . 0 0 "[ . 1 . 2]" 1
1053 1 33 GLN HA 1 34 TYR H . . 3.530 3.576 3.551 3.591 0.061 2 0 "[ . 1 . 2]" 1
1054 1 33 GLN HA 1 35 ALA H . . 4.810 4.608 4.419 4.819 0.009 18 0 "[ . 1 . 2]" 1
1055 1 33 GLN HA 1 36 ASN H . . 4.490 3.739 3.512 3.911 . 0 0 "[ . 1 . 2]" 1
1056 1 33 GLN HA 1 36 ASN QB . . 3.250 3.011 2.644 3.301 0.051 9 0 "[ . 1 . 2]" 1
1057 1 33 GLN HA 1 36 ASN HD21 . . 4.220 2.590 2.403 2.880 . 0 0 "[ . 1 . 2]" 1
1058 1 33 GLN HA 1 36 ASN HD22 . . 4.910 3.701 3.533 4.173 . 0 0 "[ . 1 . 2]" 1
1059 1 33 GLN HA 1 37 ASP H . . 4.420 4.182 4.055 4.308 . 0 0 "[ . 1 . 2]" 1
1060 1 33 GLN QB 1 33 GLN HE22 . . 4.700 4.052 3.881 4.194 . 0 0 "[ . 1 . 2]" 1
1061 1 33 GLN QB 1 34 TYR H . . 2.910 2.567 2.417 2.708 . 0 0 "[ . 1 . 2]" 1
1062 1 33 GLN QB 1 35 ALA H . . 5.230 4.864 4.714 5.036 . 0 0 "[ . 1 . 2]" 1
1063 1 33 GLN QB 1 36 ASN H . . 5.500 5.252 5.093 5.355 . 0 0 "[ . 1 . 2]" 1
1064 1 33 GLN QB 1 37 ASP H . . 5.500 5.341 5.179 5.493 . 0 0 "[ . 1 . 2]" 1
1065 1 33 GLN HE21 1 33 GLN QG . . 3.010 2.350 2.253 2.509 . 0 0 "[ . 1 . 2]" 1
1066 1 33 GLN HE21 1 36 ASN QB . . 4.290 3.814 3.293 4.350 0.060 9 0 "[ . 1 . 2]" 1
1067 1 33 GLN HE21 1 37 ASP H . . 4.550 4.238 3.481 4.598 0.048 11 0 "[ . 1 . 2]" 1
1068 1 33 GLN HE21 1 37 ASP HA . . 5.440 4.885 4.038 5.321 . 0 0 "[ . 1 . 2]" 1
1069 1 33 GLN HE21 1 37 ASP HB2 . . 5.370 4.014 2.649 4.974 . 0 0 "[ . 1 . 2]" 1
1070 1 33 GLN HE22 1 33 GLN QG . . 3.610 3.369 3.301 3.437 . 0 0 "[ . 1 . 2]" 1
1071 1 33 GLN HE22 1 36 ASN QB . . 5.010 4.706 4.370 5.053 0.043 14 0 "[ . 1 . 2]" 1
1072 1 33 GLN QG 1 34 TYR H . . 3.880 3.738 3.363 3.950 0.070 13 0 "[ . 1 . 2]" 1
1073 1 33 GLN QG 1 34 TYR HA . . 5.040 3.829 3.387 4.173 . 0 0 "[ . 1 . 2]" 1
1074 1 33 GLN QG 1 35 ALA H . . 5.500 5.530 5.380 5.577 0.077 20 0 "[ . 1 . 2]" 1
1075 1 33 GLN QG 1 36 ASN H . . 5.500 5.414 5.148 5.587 0.087 3 0 "[ . 1 . 2]" 1
1076 1 33 GLN QG 1 36 ASN HD21 . . 5.230 3.378 2.841 4.089 . 0 0 "[ . 1 . 2]" 1
1077 1 33 GLN QG 1 37 ASP H . . 4.660 4.501 4.229 4.718 0.058 14 0 "[ . 1 . 2]" 1
1078 1 34 TYR H 1 34 TYR HA . . 2.870 2.867 2.842 2.905 0.035 8 0 "[ . 1 . 2]" 1
1079 1 34 TYR H 1 34 TYR QB . . 2.400 2.218 2.133 2.269 . 0 0 "[ . 1 . 2]" 1
1080 1 34 TYR H 1 34 TYR QD . . 4.390 4.128 3.942 4.244 . 0 0 "[ . 1 . 2]" 1
1081 1 34 TYR H 1 35 ALA H . . 2.690 2.745 2.695 2.756 0.066 6 0 "[ . 1 . 2]" 1
1082 1 34 TYR H 1 35 ALA HA . . 5.350 5.387 5.329 5.410 0.060 19 0 "[ . 1 . 2]" 1
1083 1 34 TYR H 1 35 ALA MB . . 4.430 4.394 4.330 4.446 0.016 13 0 "[ . 1 . 2]" 1
1084 1 34 TYR H 1 36 ASN QB . . 5.320 5.178 5.045 5.274 . 0 0 "[ . 1 . 2]" 1
1085 1 34 TYR H 1 37 ASP HB2 . . 5.180 5.186 5.002 5.250 0.070 15 0 "[ . 1 . 2]" 1
1086 1 34 TYR H 1 37 ASP HB3 . . 5.490 5.399 5.228 5.545 0.055 12 0 "[ . 1 . 2]" 1
1087 1 34 TYR H 1 44 TRP HH2 . . 4.780 4.850 4.843 4.857 0.077 8 0 "[ . 1 . 2]" 1
1088 1 34 TYR HA 1 34 TYR QD . . 3.430 2.823 2.586 3.049 . 0 0 "[ . 1 . 2]" 1
1089 1 34 TYR HA 1 34 TYR QE . . 4.610 4.528 4.392 4.683 0.073 20 0 "[ . 1 . 2]" 1
1090 1 34 TYR HA 1 35 ALA H . . 3.570 3.567 3.530 3.622 0.052 18 0 "[ . 1 . 2]" 1
1091 1 34 TYR HA 1 36 ASN H . . 5.020 4.711 4.585 4.824 . 0 0 "[ . 1 . 2]" 1
1092 1 34 TYR HA 1 37 ASP H . . 3.800 3.457 3.242 3.653 . 0 0 "[ . 1 . 2]" 1
1093 1 34 TYR HA 1 37 ASP HB2 . . 3.570 3.119 2.831 3.345 . 0 0 "[ . 1 . 2]" 1
1094 1 34 TYR HA 1 37 ASP HB3 . . 4.060 2.839 2.628 2.984 . 0 0 "[ . 1 . 2]" 1
1095 1 34 TYR HA 1 38 ASN H . . 4.860 4.547 4.423 4.738 . 0 0 "[ . 1 . 2]" 1
1096 1 34 TYR HA 1 38 ASN HD21 . . 4.340 3.895 3.791 4.006 . 0 0 "[ . 1 . 2]" 1
1097 1 34 TYR HA 1 38 ASN HD22 . . 4.500 4.404 4.041 4.558 0.058 11 0 "[ . 1 . 2]" 1
1098 1 34 TYR QB 1 35 ALA H . . 2.590 2.530 2.360 2.658 0.068 8 0 "[ . 1 . 2]" 1
1099 1 34 TYR QB 1 35 ALA HA . . 4.790 4.067 3.829 4.271 . 0 0 "[ . 1 . 2]" 1
1100 1 34 TYR QB 1 35 ALA MB . . 4.470 3.763 3.496 3.921 . 0 0 "[ . 1 . 2]" 1
1101 1 34 TYR QB 1 36 ASN H . . 4.840 4.844 4.744 4.901 0.061 5 0 "[ . 1 . 2]" 1
1102 1 34 TYR QB 1 37 ASP H . . 4.980 4.900 4.763 4.978 . 0 0 "[ . 1 . 2]" 1
1103 1 34 TYR QB 1 38 ASN H . . 5.500 5.543 5.406 5.573 0.073 18 0 "[ . 1 . 2]" 1
1104 1 34 TYR QB 1 38 ASN HD21 . . 4.570 4.357 4.267 4.456 . 0 0 "[ . 1 . 2]" 1
1105 1 34 TYR QB 1 38 ASN HD22 . . 4.930 4.689 4.535 4.808 . 0 0 "[ . 1 . 2]" 1
1106 1 34 TYR QD 1 35 ALA H . . 4.030 3.803 3.419 4.091 0.061 13 0 "[ . 1 . 2]" 1
1107 1 34 TYR QD 1 35 ALA HA . . 3.760 3.543 3.187 3.822 0.062 14 0 "[ . 1 . 2]" 1
1108 1 34 TYR QD 1 35 ALA MB . . 4.430 4.089 3.622 4.402 . 0 0 "[ . 1 . 2]" 1
1109 1 34 TYR QD 1 38 ASN H . . 5.390 5.109 4.692 5.386 . 0 0 "[ . 1 . 2]" 1
1110 1 34 TYR QD 1 38 ASN QB . . 5.340 4.684 4.334 5.043 . 0 0 "[ . 1 . 2]" 1
1111 1 34 TYR QD 1 38 ASN HD21 . . 3.550 3.237 2.699 3.603 0.053 14 0 "[ . 1 . 2]" 1
1112 1 34 TYR QD 1 38 ASN HD22 . . 3.670 3.190 2.783 3.566 . 0 0 "[ . 1 . 2]" 1
1113 1 34 TYR QE 1 38 ASN HD22 . . 4.490 2.814 2.374 3.412 . 0 0 "[ . 1 . 2]" 1
1114 1 35 ALA H 1 35 ALA HA . . 2.850 2.871 2.831 2.899 0.049 13 0 "[ . 1 . 2]" 1
1115 1 35 ALA H 1 35 ALA MB . . 2.400 2.216 2.170 2.242 . 0 0 "[ . 1 . 2]" 1
1116 1 35 ALA H 1 36 ASN H . . 2.950 2.719 2.615 2.828 . 0 0 "[ . 1 . 2]" 1
1117 1 35 ALA H 1 36 ASN HA . . 5.500 5.342 5.265 5.396 . 0 0 "[ . 1 . 2]" 1
1118 1 35 ALA H 1 36 ASN QB . . 4.600 4.456 4.313 4.603 0.003 18 0 "[ . 1 . 2]" 1
1119 1 35 ALA H 1 37 ASP HB2 . . 5.500 5.541 5.351 5.577 0.077 9 0 "[ . 1 . 2]" 1
1120 1 35 ALA H 1 38 ASN H . . 5.050 4.874 4.787 4.944 . 0 0 "[ . 1 . 2]" 1
1121 1 35 ALA H 1 44 TRP HH2 . . 3.640 3.044 2.999 3.108 . 0 0 "[ . 1 . 2]" 1
1122 1 35 ALA H 1 44 TRP HZ2 . . 4.390 4.359 4.279 4.439 0.049 9 0 "[ . 1 . 2]" 1
1123 1 35 ALA H 1 44 TRP HZ3 . . 5.060 5.115 5.078 5.134 0.074 18 0 "[ . 1 . 2]" 1
1124 1 35 ALA H 1 55 VAL MG1 . . 5.500 4.910 4.779 5.074 . 0 0 "[ . 1 . 2]" 1
1125 1 35 ALA HA 1 37 ASP H . . 4.370 4.132 4.025 4.223 . 0 0 "[ . 1 . 2]" 1
1126 1 35 ALA HA 1 38 ASN H . . 3.670 3.375 3.273 3.445 . 0 0 "[ . 1 . 2]" 1
1127 1 35 ALA HA 1 38 ASN QB . . 3.800 2.883 2.729 3.030 . 0 0 "[ . 1 . 2]" 1
1128 1 35 ALA HA 1 38 ASN HD21 . . 4.000 2.893 2.723 3.080 . 0 0 "[ . 1 . 2]" 1
1129 1 35 ALA HA 1 38 ASN HD22 . . 4.720 4.322 4.269 4.358 . 0 0 "[ . 1 . 2]" 1
1130 1 35 ALA HA 1 40 VAL H . . 4.260 3.917 3.810 3.983 . 0 0 "[ . 1 . 2]" 1
1131 1 35 ALA HA 1 40 VAL HB . . 3.530 2.998 2.857 3.119 . 0 0 "[ . 1 . 2]" 1
1132 1 35 ALA HA 1 40 VAL MG1 . . 4.650 4.266 4.127 4.433 . 0 0 "[ . 1 . 2]" 1
1133 1 35 ALA HA 1 40 VAL MG2 . . 4.150 3.502 3.447 3.657 . 0 0 "[ . 1 . 2]" 1
1134 1 35 ALA HA 1 44 TRP HH2 . . 4.660 4.456 4.381 4.536 . 0 0 "[ . 1 . 2]" 1
1135 1 35 ALA HA 1 55 VAL MG1 . . 5.120 4.135 3.946 4.247 . 0 0 "[ . 1 . 2]" 1
1136 1 35 ALA MB 1 36 ASN H . . 2.570 2.367 2.287 2.446 . 0 0 "[ . 1 . 2]" 1
1137 1 35 ALA MB 1 36 ASN HA . . 4.420 3.852 3.801 3.929 . 0 0 "[ . 1 . 2]" 1
1138 1 35 ALA MB 1 36 ASN QB . . 5.080 3.757 3.690 3.855 . 0 0 "[ . 1 . 2]" 1
1139 1 35 ALA MB 1 36 ASN HD21 . . 5.240 5.167 5.069 5.315 0.075 18 0 "[ . 1 . 2]" 1
1140 1 35 ALA MB 1 37 ASP H . . 4.410 4.316 4.249 4.355 . 0 0 "[ . 1 . 2]" 1
1141 1 35 ALA MB 1 38 ASN H . . 4.760 4.481 4.356 4.548 . 0 0 "[ . 1 . 2]" 1
1142 1 35 ALA MB 1 38 ASN HD21 . . 4.990 4.454 4.327 4.596 . 0 0 "[ . 1 . 2]" 1
1143 1 35 ALA MB 1 38 ASN HD22 . . 5.500 5.591 5.578 5.603 0.103 16 0 "[ . 1 . 2]" 1
1144 1 35 ALA MB 1 39 GLY H . . 5.130 5.084 4.963 5.171 0.041 16 0 "[ . 1 . 2]" 1
1145 1 35 ALA MB 1 40 VAL H . . 3.750 3.604 3.503 3.719 . 0 0 "[ . 1 . 2]" 1
1146 1 35 ALA MB 1 40 VAL MG1 . . 3.500 2.914 2.741 3.099 . 0 0 "[ . 1 . 2]" 1
1147 1 35 ALA MB 1 40 VAL MG2 . . 3.710 3.544 3.489 3.622 . 0 0 "[ . 1 . 2]" 1
1148 1 35 ALA MB 1 41 ASP H . . 4.920 4.911 4.822 4.985 0.065 19 0 "[ . 1 . 2]" 1
1149 1 35 ALA MB 1 42 GLY H . . 4.770 4.792 4.684 4.842 0.072 9 0 "[ . 1 . 2]" 1
1150 1 35 ALA MB 1 44 TRP HE1 . . 4.430 4.355 4.225 4.487 0.057 9 0 "[ . 1 . 2]" 1
1151 1 35 ALA MB 1 44 TRP HH2 . . 3.480 1.988 1.954 2.041 . 0 0 "[ . 1 . 2]" 1
1152 1 35 ALA MB 1 44 TRP HZ2 . . 3.050 2.095 2.026 2.174 . 0 0 "[ . 1 . 2]" 1
1153 1 35 ALA MB 1 44 TRP HZ3 . . 5.500 3.774 3.711 3.866 . 0 0 "[ . 1 . 2]" 1
1154 1 35 ALA MB 1 55 VAL HB . . 4.910 3.979 3.844 4.091 . 0 0 "[ . 1 . 2]" 1
1155 1 35 ALA MB 1 55 VAL MG1 . . 3.490 2.296 2.178 2.436 . 0 0 "[ . 1 . 2]" 1
1156 1 35 ALA MB 1 55 VAL MG2 . . 3.920 3.109 2.977 3.230 . 0 0 "[ . 1 . 2]" 1
1157 1 36 ASN H 1 36 ASN HA . . 2.790 2.836 2.826 2.847 0.057 14 0 "[ . 1 . 2]" 1
1158 1 36 ASN H 1 36 ASN QB . . 2.400 2.107 2.058 2.155 . 0 0 "[ . 1 . 2]" 1
1159 1 36 ASN H 1 36 ASN HD21 . . 4.080 3.233 3.069 3.319 . 0 0 "[ . 1 . 2]" 1
1160 1 36 ASN H 1 36 ASN HD22 . . 4.780 4.807 4.672 4.847 0.067 18 0 "[ . 1 . 2]" 1
1161 1 36 ASN H 1 37 ASP H . . 2.770 2.734 2.663 2.783 0.013 5 0 "[ . 1 . 2]" 1
1162 1 36 ASN H 1 37 ASP HB2 . . 5.070 5.037 4.890 5.121 0.051 13 0 "[ . 1 . 2]" 1
1163 1 36 ASN H 1 37 ASP HB3 . . 5.320 5.081 4.831 5.226 . 0 0 "[ . 1 . 2]" 1
1164 1 36 ASN H 1 38 ASN H . . 4.300 4.218 4.086 4.326 0.026 6 0 "[ . 1 . 2]" 1
1165 1 36 ASN H 1 38 ASN HD21 . . 5.420 5.170 5.045 5.258 . 0 0 "[ . 1 . 2]" 1
1166 1 36 ASN H 1 39 GLY H . . 4.980 4.844 4.751 4.934 . 0 0 "[ . 1 . 2]" 1
1167 1 36 ASN H 1 40 VAL HB . . 5.010 4.835 4.734 5.030 0.020 15 0 "[ . 1 . 2]" 1
1168 1 36 ASN H 1 40 VAL MG2 . . 5.500 5.582 5.564 5.596 0.096 15 0 "[ . 1 . 2]" 1
1169 1 36 ASN H 1 44 TRP HH2 . . 4.890 4.324 4.199 4.584 . 0 0 "[ . 1 . 2]" 1
1170 1 36 ASN H 1 44 TRP HZ2 . . 4.340 3.961 3.779 4.194 . 0 0 "[ . 1 . 2]" 1
1171 1 36 ASN HA 1 36 ASN HD21 . . 4.350 4.068 3.973 4.141 . 0 0 "[ . 1 . 2]" 1
1172 1 36 ASN HA 1 36 ASN HD22 . . 5.110 4.868 4.749 4.920 . 0 0 "[ . 1 . 2]" 1
1173 1 36 ASN HA 1 37 ASP H . . 3.540 3.549 3.509 3.579 0.039 18 0 "[ . 1 . 2]" 1
1174 1 36 ASN HA 1 38 ASN H . . 4.340 4.140 3.858 4.357 0.017 6 0 "[ . 1 . 2]" 1
1175 1 36 ASN HA 1 39 GLY H . . 3.290 3.142 2.976 3.231 . 0 0 "[ . 1 . 2]" 1
1176 1 36 ASN HA 1 40 VAL H . . 3.310 2.863 2.660 3.103 . 0 0 "[ . 1 . 2]" 1
1177 1 36 ASN QB 1 36 ASN HD22 . . 3.820 3.416 3.367 3.448 . 0 0 "[ . 1 . 2]" 1
1178 1 36 ASN QB 1 37 ASP H . . 3.300 3.366 3.303 3.380 0.080 4 0 "[ . 1 . 2]" 1
1179 1 36 ASN QB 1 38 ASN H . . 5.130 5.056 4.885 5.186 0.056 6 0 "[ . 1 . 2]" 1
1180 1 36 ASN QB 1 39 GLY H . . 4.940 4.693 4.559 4.786 . 0 0 "[ . 1 . 2]" 1
1181 1 36 ASN QB 1 40 VAL H . . 5.190 4.653 4.457 4.860 . 0 0 "[ . 1 . 2]" 1
1182 1 36 ASN HD21 1 37 ASP H . . 4.460 2.284 2.166 2.515 . 0 0 "[ . 1 . 2]" 1
1183 1 36 ASN HD21 1 37 ASP HA . . 5.110 3.510 3.272 3.815 . 0 0 "[ . 1 . 2]" 1
1184 1 36 ASN HD21 1 37 ASP HB2 . . 5.370 3.135 2.918 3.406 . 0 0 "[ . 1 . 2]" 1
1185 1 36 ASN HD21 1 37 ASP HB3 . . 4.820 4.259 4.016 4.698 . 0 0 "[ . 1 . 2]" 1
1186 1 36 ASN HD22 1 37 ASP H . . 4.730 3.540 3.441 3.644 . 0 0 "[ . 1 . 2]" 1
1187 1 36 ASN HD22 1 37 ASP HA . . 5.240 3.316 3.069 3.518 . 0 0 "[ . 1 . 2]" 1
1188 1 36 ASN HD22 1 37 ASP HB2 . . 5.190 3.614 3.418 3.769 . 0 0 "[ . 1 . 2]" 1
1189 1 36 ASN HD22 1 37 ASP HB3 . . 5.030 5.040 4.913 5.095 0.065 3 0 "[ . 1 . 2]" 1
1190 1 37 ASP H 1 37 ASP HB2 . . 2.690 2.500 2.372 2.586 . 0 0 "[ . 1 . 2]" 1
1191 1 37 ASP H 1 37 ASP HB3 . . 3.010 2.591 2.433 2.760 . 0 0 "[ . 1 . 2]" 1
1192 1 37 ASP H 1 38 ASN H . . 2.710 2.575 2.525 2.633 . 0 0 "[ . 1 . 2]" 1
1193 1 37 ASP H 1 38 ASN HA . . 5.410 5.304 5.249 5.345 . 0 0 "[ . 1 . 2]" 1
1194 1 37 ASP H 1 38 ASN QB . . 5.070 4.615 4.545 4.715 . 0 0 "[ . 1 . 2]" 1
1195 1 37 ASP H 1 38 ASN HD21 . . 4.200 3.924 3.816 4.048 . 0 0 "[ . 1 . 2]" 1
1196 1 37 ASP H 1 38 ASN HD22 . . 5.410 5.321 5.010 5.465 0.055 1 0 "[ . 1 . 2]" 1
1197 1 37 ASP H 1 39 GLY H . . 3.960 3.768 3.680 3.876 . 0 0 "[ . 1 . 2]" 1
1198 1 37 ASP H 1 40 VAL H . . 5.020 4.796 4.683 4.909 . 0 0 "[ . 1 . 2]" 1
1199 1 37 ASP HA 1 38 ASN HD21 . . 5.500 5.319 5.137 5.546 0.046 7 0 "[ . 1 . 2]" 1
1200 1 37 ASP HA 1 39 GLY H . . 4.060 3.767 3.650 3.890 . 0 0 "[ . 1 . 2]" 1
1201 1 37 ASP HB2 1 38 ASN H . . 4.130 3.904 3.807 4.050 . 0 0 "[ . 1 . 2]" 1
1202 1 37 ASP HB3 1 38 ASN H . . 3.470 2.747 2.514 3.044 . 0 0 "[ . 1 . 2]" 1
1203 1 37 ASP HB3 1 38 ASN HD21 . . 3.970 3.065 2.814 3.276 . 0 0 "[ . 1 . 2]" 1
1204 1 37 ASP HB3 1 38 ASN HD22 . . 4.240 3.721 3.347 3.990 . 0 0 "[ . 1 . 2]" 1
1205 1 37 ASP HB3 1 39 GLY H . . 4.890 4.764 4.605 4.940 0.050 18 0 "[ . 1 . 2]" 1
1206 1 38 ASN H 1 38 ASN QB . . 2.640 2.403 2.360 2.472 . 0 0 "[ . 1 . 2]" 1
1207 1 38 ASN H 1 38 ASN HD21 . . 2.930 2.329 2.231 2.472 . 0 0 "[ . 1 . 2]" 1
1208 1 38 ASN H 1 38 ASN HD22 . . 3.800 3.796 3.581 3.871 0.071 14 0 "[ . 1 . 2]" 1
1209 1 38 ASN H 1 39 GLY H . . 2.500 2.472 2.292 2.552 0.052 6 0 "[ . 1 . 2]" 1
1210 1 38 ASN H 1 39 GLY HA2 . . 4.830 4.721 4.531 4.852 0.022 6 0 "[ . 1 . 2]" 1
1211 1 38 ASN H 1 40 VAL H . . 3.850 3.652 3.475 3.831 . 0 0 "[ . 1 . 2]" 1
1212 1 38 ASN H 1 40 VAL HB . . 5.120 4.809 4.681 4.974 . 0 0 "[ . 1 . 2]" 1
1213 1 38 ASN H 1 40 VAL MG2 . . 4.160 4.030 3.890 4.150 . 0 0 "[ . 1 . 2]" 1
1214 1 38 ASN HA 1 38 ASN HD21 . . 4.060 3.800 3.630 3.961 . 0 0 "[ . 1 . 2]" 1
1215 1 38 ASN HA 1 38 ASN HD22 . . 4.420 4.327 4.177 4.408 . 0 0 "[ . 1 . 2]" 1
1216 1 38 ASN HA 1 39 GLY H . . 3.340 3.354 3.275 3.386 0.046 14 0 "[ . 1 . 2]" 1
1217 1 38 ASN HA 1 40 VAL H . . 5.280 4.950 4.685 5.108 . 0 0 "[ . 1 . 2]" 1
1218 1 38 ASN QB 1 38 ASN HD21 . . 2.750 2.360 2.246 2.421 . 0 0 "[ . 1 . 2]" 1
1219 1 38 ASN QB 1 38 ASN HD22 . . 3.300 3.351 3.329 3.366 0.066 20 0 "[ . 1 . 2]" 1
1220 1 38 ASN QB 1 39 GLY H . . 3.610 3.380 3.313 3.484 . 0 0 "[ . 1 . 2]" 1
1221 1 38 ASN QB 1 40 VAL H . . 4.020 3.324 3.065 3.489 . 0 0 "[ . 1 . 2]" 1
1222 1 38 ASN HB2 1 38 ASN HD21 . . 3.540 2.395 2.275 2.462 . 0 0 "[ . 1 . 2]" 1
1223 1 38 ASN HB2 1 39 GLY H . . 4.270 3.554 3.469 3.675 . 0 0 "[ . 1 . 2]" 1
1224 1 38 ASN HB2 1 40 VAL MG2 . . 4.130 2.333 2.237 2.418 . 0 0 "[ . 1 . 2]" 1
1225 1 38 ASN HB3 1 38 ASN HD21 . . 3.540 3.557 3.481 3.604 0.064 11 0 "[ . 1 . 2]" 1
1226 1 38 ASN HB3 1 39 GLY H . . 4.270 4.229 4.176 4.323 0.053 16 0 "[ . 1 . 2]" 1
1227 1 38 ASN HB3 1 40 VAL MG2 . . 4.130 2.636 2.439 2.960 . 0 0 "[ . 1 . 2]" 1
1228 1 38 ASN HD21 1 39 GLY H . . 4.700 4.665 4.565 4.752 0.052 16 0 "[ . 1 . 2]" 1
1229 1 38 ASN HD21 1 40 VAL H . . 5.250 5.136 4.953 5.305 0.055 4 0 "[ . 1 . 2]" 1
1230 1 39 GLY H 1 39 GLY HA2 . . 2.400 2.284 2.253 2.315 . 0 0 "[ . 1 . 2]" 1
1231 1 39 GLY H 1 40 VAL H . . 2.630 2.537 2.426 2.614 . 0 0 "[ . 1 . 2]" 1
1232 1 39 GLY H 1 40 VAL HA . . 5.200 5.217 5.151 5.248 0.048 11 0 "[ . 1 . 2]" 1
1233 1 39 GLY H 1 40 VAL HB . . 4.750 4.804 4.784 4.816 0.066 15 0 "[ . 1 . 2]" 1
1234 1 39 GLY H 1 40 VAL MG2 . . 4.010 3.821 3.698 3.942 . 0 0 "[ . 1 . 2]" 1
1235 1 39 GLY HA2 1 40 VAL H . . 2.950 2.922 2.784 3.013 0.063 20 0 "[ . 1 . 2]" 1
1236 1 39 GLY HA2 1 40 VAL MG2 . . 4.570 4.452 4.310 4.596 0.026 20 0 "[ . 1 . 2]" 1
1237 1 39 GLY HA2 1 41 ASP H . . 5.490 5.547 5.447 5.563 0.073 8 0 "[ . 1 . 2]" 1
1238 1 40 VAL H 1 40 VAL HB . . 2.800 2.555 2.491 2.633 . 0 0 "[ . 1 . 2]" 1
1239 1 40 VAL H 1 40 VAL MG1 . . 3.980 3.829 3.799 3.861 . 0 0 "[ . 1 . 2]" 1
1240 1 40 VAL H 1 40 VAL MG2 . . 2.810 2.502 2.369 2.647 . 0 0 "[ . 1 . 2]" 1
1241 1 40 VAL H 1 41 ASP H . . 4.350 4.314 4.250 4.402 0.052 20 0 "[ . 1 . 2]" 1
1242 1 40 VAL H 1 41 ASP HA . . 5.270 5.121 4.998 5.277 0.007 7 0 "[ . 1 . 2]" 1
1243 1 40 VAL H 1 41 ASP HB2 . . 4.850 4.631 4.311 4.908 0.058 12 0 "[ . 1 . 2]" 1
1244 1 40 VAL H 1 55 VAL MG1 . . 5.500 5.381 5.247 5.461 . 0 0 "[ . 1 . 2]" 1
1245 1 40 VAL H 1 55 VAL MG2 . . 5.500 5.536 5.390 5.577 0.077 18 0 "[ . 1 . 2]" 1
1246 1 40 VAL HA 1 40 VAL MG1 . . 2.960 2.371 2.322 2.416 . 0 0 "[ . 1 . 2]" 1
1247 1 40 VAL HA 1 40 VAL MG2 . . 3.100 2.546 2.399 2.604 . 0 0 "[ . 1 . 2]" 1
1248 1 40 VAL HA 1 41 ASP H . . 2.400 2.188 2.119 2.246 . 0 0 "[ . 1 . 2]" 1
1249 1 40 VAL HA 1 42 GLY H . . 5.350 5.299 4.965 5.408 0.058 19 0 "[ . 1 . 2]" 1
1250 1 40 VAL HA 1 57 GLU QG . . 4.970 2.759 2.330 3.443 . 0 0 "[ . 1 . 2]" 1
1251 1 40 VAL HB 1 41 ASP H . . 4.470 4.239 4.160 4.348 . 0 0 "[ . 1 . 2]" 1
1252 1 40 VAL HB 1 42 GLY H . . 5.500 5.561 5.489 5.577 0.077 17 0 "[ . 1 . 2]" 1
1253 1 40 VAL HB 1 55 VAL MG1 . . 4.830 3.333 3.166 3.450 . 0 0 "[ . 1 . 2]" 1
1254 1 40 VAL MG1 1 41 ASP H . . 3.140 2.940 2.812 3.044 . 0 0 "[ . 1 . 2]" 1
1255 1 40 VAL MG1 1 42 GLY H . . 3.630 3.533 3.321 3.672 0.042 15 0 "[ . 1 . 2]" 1
1256 1 40 VAL MG1 1 42 GLY HA3 . . 4.720 4.290 4.145 4.559 . 0 0 "[ . 1 . 2]" 1
1257 1 40 VAL MG1 1 44 TRP HE1 . . 4.980 5.058 5.013 5.071 0.091 3 0 "[ . 1 . 2]" 1
1258 1 40 VAL MG1 1 55 VAL H . . 4.810 4.611 4.556 4.699 . 0 0 "[ . 1 . 2]" 1
1259 1 40 VAL MG1 1 55 VAL HB . . 4.820 4.202 4.062 4.264 . 0 0 "[ . 1 . 2]" 1
1260 1 40 VAL MG1 1 55 VAL MG1 . . 3.400 2.061 1.977 2.132 . 0 0 "[ . 1 . 2]" 1
1261 1 40 VAL MG1 1 55 VAL MG2 . . 3.070 2.258 2.189 2.324 . 0 0 "[ . 1 . 2]" 1
1262 1 40 VAL MG1 1 57 GLU H . . 3.840 3.483 3.263 3.685 . 0 0 "[ . 1 . 2]" 1
1263 1 40 VAL MG1 1 57 GLU HA . . 4.470 3.921 3.504 4.535 0.065 3 0 "[ . 1 . 2]" 1
1264 1 40 VAL MG1 1 57 GLU HB2 . . 3.720 2.290 2.107 2.579 . 0 0 "[ . 1 . 2]" 1
1265 1 40 VAL MG1 1 57 GLU HB3 . . 4.190 3.777 3.612 4.093 . 0 0 "[ . 1 . 2]" 1
1266 1 40 VAL MG1 1 57 GLU QG . . 3.440 2.951 2.456 3.322 . 0 0 "[ . 1 . 2]" 1
1267 1 40 VAL MG2 1 41 ASP H . . 4.360 4.289 4.209 4.364 0.004 8 0 "[ . 1 . 2]" 1
1268 1 40 VAL MG2 1 57 GLU HB2 . . 4.410 4.125 3.886 4.390 . 0 0 "[ . 1 . 2]" 1
1269 1 41 ASP H 1 41 ASP HB2 . . 3.380 3.425 3.352 3.452 0.072 4 0 "[ . 1 . 2]" 1
1270 1 41 ASP H 1 41 ASP HB3 . . 2.900 2.910 2.754 2.970 0.070 19 0 "[ . 1 . 2]" 1
1271 1 41 ASP H 1 42 GLY H . . 3.720 3.656 3.410 3.761 0.041 14 0 "[ . 1 . 2]" 1
1272 1 41 ASP H 1 42 GLY HA3 . . 4.630 4.472 4.347 4.591 . 0 0 "[ . 1 . 2]" 1
1273 1 41 ASP H 1 55 VAL MG1 . . 5.420 5.109 4.995 5.256 . 0 0 "[ . 1 . 2]" 1
1274 1 41 ASP H 1 55 VAL MG2 . . 4.290 3.908 3.767 4.022 . 0 0 "[ . 1 . 2]" 1
1275 1 41 ASP H 1 57 GLU HB2 . . 4.460 3.689 3.567 4.006 . 0 0 "[ . 1 . 2]" 1
1276 1 41 ASP H 1 57 GLU HB3 . . 4.790 4.851 4.790 4.868 0.078 8 0 "[ . 1 . 2]" 1
1277 1 41 ASP H 1 57 GLU QG . . 3.280 2.076 1.844 2.381 . 0 0 "[ . 1 . 2]" 1
1278 1 41 ASP HA 1 42 GLY H . . 2.660 2.151 2.100 2.280 . 0 0 "[ . 1 . 2]" 1
1279 1 41 ASP HA 1 44 TRP HE1 . . 3.800 2.832 2.601 2.955 . 0 0 "[ . 1 . 2]" 1
1280 1 41 ASP HB2 1 42 GLY H . . 4.580 4.452 4.353 4.546 . 0 0 "[ . 1 . 2]" 1
1281 1 41 ASP HB2 1 44 TRP HE1 . . 5.460 4.568 4.180 4.811 . 0 0 "[ . 1 . 2]" 1
1282 1 41 ASP HB3 1 42 GLY H . . 4.550 4.438 4.348 4.538 . 0 0 "[ . 1 . 2]" 1
1283 1 41 ASP HB3 1 44 TRP HE1 . . 5.500 5.331 4.784 5.568 0.068 5 0 "[ . 1 . 2]" 1
1284 1 42 GLY H 1 42 GLY HA3 . . 2.950 2.542 2.408 2.617 . 0 0 "[ . 1 . 2]" 1
1285 1 42 GLY H 1 43 GLU H . . 4.040 4.062 3.921 4.112 0.072 10 0 "[ . 1 . 2]" 1
1286 1 42 GLY H 1 44 TRP H . . 5.320 5.243 5.158 5.367 0.047 3 0 "[ . 1 . 2]" 1
1287 1 42 GLY H 1 44 TRP HE1 . . 3.040 2.852 2.644 3.092 0.052 16 0 "[ . 1 . 2]" 1
1288 1 42 GLY H 1 55 VAL HB . . 4.940 4.404 4.241 4.648 . 0 0 "[ . 1 . 2]" 1
1289 1 42 GLY H 1 55 VAL MG1 . . 4.370 4.130 3.930 4.371 0.001 13 0 "[ . 1 . 2]" 1
1290 1 42 GLY H 1 55 VAL MG2 . . 2.910 1.925 1.761 2.115 . 0 0 "[ . 1 . 2]" 1
1291 1 42 GLY H 1 57 GLU HB2 . . 5.000 4.950 4.487 5.069 0.069 11 0 "[ . 1 . 2]" 1
1292 1 42 GLY H 1 57 GLU QG . . 4.450 4.255 3.377 4.521 0.071 6 0 "[ . 1 . 2]" 1
1293 1 42 GLY HA2 1 43 GLU H . . 3.110 2.917 2.774 3.098 . 0 0 "[ . 1 . 2]" 1
1294 1 42 GLY HA2 1 44 TRP HE1 . . 5.380 5.202 4.998 5.423 0.043 12 0 "[ . 1 . 2]" 1
1295 1 42 GLY HA2 1 55 VAL MG2 . . 4.440 3.885 3.756 4.161 . 0 0 "[ . 1 . 2]" 1
1296 1 42 GLY HA2 1 57 GLU QG . . 4.110 3.861 2.939 4.188 0.078 8 0 "[ . 1 . 2]" 1
1297 1 42 GLY HA3 1 43 GLU H . . 2.430 2.208 2.088 2.274 . 0 0 "[ . 1 . 2]" 1
1298 1 42 GLY HA3 1 43 GLU HB3 . . 5.500 4.679 4.471 4.870 . 0 0 "[ . 1 . 2]" 1
1299 1 42 GLY HA3 1 44 TRP H . . 5.500 5.537 5.429 5.565 0.065 9 0 "[ . 1 . 2]" 1
1300 1 42 GLY HA3 1 44 TRP HE1 . . 5.380 5.170 5.036 5.280 . 0 0 "[ . 1 . 2]" 1
1301 1 42 GLY HA3 1 55 VAL MG1 . . 5.500 5.070 4.754 5.529 0.029 13 0 "[ . 1 . 2]" 1
1302 1 42 GLY HA3 1 55 VAL MG2 . . 3.450 2.861 2.586 3.260 . 0 0 "[ . 1 . 2]" 1
1303 1 42 GLY HA3 1 56 THR H . . 4.360 3.897 3.494 4.297 . 0 0 "[ . 1 . 2]" 1
1304 1 42 GLY HA3 1 57 GLU H . . 4.270 3.765 3.507 4.210 . 0 0 "[ . 1 . 2]" 1
1305 1 42 GLY HA3 1 57 GLU HA . . 2.950 1.997 1.902 2.095 . 0 0 "[ . 1 . 2]" 1
1306 1 42 GLY HA3 1 57 GLU HB2 . . 5.500 4.118 3.744 4.461 . 0 0 "[ . 1 . 2]" 1
1307 1 42 GLY HA3 1 57 GLU QG . . 4.010 3.666 2.760 3.962 . 0 0 "[ . 1 . 2]" 1
1308 1 43 GLU H 1 43 GLU HB2 . . 2.910 2.694 2.564 2.829 . 0 0 "[ . 1 . 2]" 1
1309 1 43 GLU H 1 43 GLU HB3 . . 2.690 2.510 2.320 2.659 . 0 0 "[ . 1 . 2]" 1
1310 1 43 GLU H 1 43 GLU HG2 . . 4.760 4.446 4.340 4.579 . 0 0 "[ . 1 . 2]" 1
1311 1 43 GLU H 1 43 GLU QG . . 4.160 3.994 3.937 4.048 . 0 0 "[ . 1 . 2]" 1
1312 1 43 GLU H 1 43 GLU HG3 . . 4.760 4.525 4.480 4.598 . 0 0 "[ . 1 . 2]" 1
1313 1 43 GLU H 1 44 TRP H . . 4.570 4.380 4.310 4.420 . 0 0 "[ . 1 . 2]" 1
1314 1 43 GLU H 1 44 TRP HA . . 5.260 5.201 4.959 5.315 0.055 5 0 "[ . 1 . 2]" 1
1315 1 43 GLU H 1 55 VAL HA . . 4.600 4.507 4.283 4.625 0.025 13 0 "[ . 1 . 2]" 1
1316 1 43 GLU H 1 55 VAL MG2 . . 3.730 3.643 3.445 3.770 0.040 17 0 "[ . 1 . 2]" 1
1317 1 43 GLU H 1 56 THR H . . 3.150 3.119 2.842 3.202 0.052 11 0 "[ . 1 . 2]" 1
1318 1 43 GLU H 1 56 THR HB . . 3.570 3.419 3.259 3.637 0.067 3 0 "[ . 1 . 2]" 1
1319 1 43 GLU H 1 56 THR MG . . 4.980 4.674 4.459 4.839 . 0 0 "[ . 1 . 2]" 1
1320 1 43 GLU H 1 57 GLU H . . 5.040 4.739 4.555 4.872 . 0 0 "[ . 1 . 2]" 1
1321 1 43 GLU H 1 57 GLU HA . . 4.380 3.715 3.342 3.897 . 0 0 "[ . 1 . 2]" 1
1322 1 43 GLU HA 1 44 TRP H . . 2.410 2.137 2.084 2.184 . 0 0 "[ . 1 . 2]" 1
1323 1 43 GLU HA 1 44 TRP HE1 . . 5.500 5.550 5.503 5.569 0.069 13 0 "[ . 1 . 2]" 1
1324 1 43 GLU HB2 1 43 GLU QG . . 2.630 2.383 2.187 2.483 . 0 0 "[ . 1 . 2]" 1
1325 1 43 GLU HB2 1 44 TRP H . . 4.810 4.401 4.346 4.494 . 0 0 "[ . 1 . 2]" 1
1326 1 43 GLU HB2 1 45 THR MG . . 5.330 5.009 4.786 5.185 . 0 0 "[ . 1 . 2]" 1
1327 1 43 GLU HB2 1 56 THR H . . 4.800 4.843 4.733 4.861 0.061 10 0 "[ . 1 . 2]" 1
1328 1 43 GLU HB2 1 56 THR HB . . 4.540 4.370 4.173 4.599 0.059 3 0 "[ . 1 . 2]" 1
1329 1 43 GLU HB3 1 43 GLU QG . . 2.600 2.396 2.289 2.589 . 0 0 "[ . 1 . 2]" 1
1330 1 43 GLU HB3 1 44 TRP H . . 4.420 4.362 4.289 4.427 0.007 19 0 "[ . 1 . 2]" 1
1331 1 43 GLU HB3 1 45 THR MG . . 5.350 3.883 3.667 4.065 . 0 0 "[ . 1 . 2]" 1
1332 1 43 GLU HB3 1 56 THR H . . 4.030 3.450 3.351 3.640 . 0 0 "[ . 1 . 2]" 1
1333 1 43 GLU HB3 1 56 THR HB . . 4.180 2.980 2.692 3.335 . 0 0 "[ . 1 . 2]" 1
1334 1 43 GLU HB3 1 56 THR MG . . 5.500 4.482 4.248 4.833 . 0 0 "[ . 1 . 2]" 1
1335 1 43 GLU QG 1 44 TRP H . . 3.450 3.021 2.715 3.262 . 0 0 "[ . 1 . 2]" 1
1336 1 43 GLU QG 1 45 THR MG . . 4.230 2.751 2.419 3.508 . 0 0 "[ . 1 . 2]" 1
1337 1 43 GLU HG2 1 44 TRP H . . 4.060 3.438 2.755 3.917 . 0 0 "[ . 1 . 2]" 1
1338 1 43 GLU HG2 1 45 THR MG . . 4.890 2.794 2.448 3.619 . 0 0 "[ . 1 . 2]" 1
1339 1 43 GLU HG3 1 44 TRP H . . 4.060 3.460 3.120 4.111 0.051 18 0 "[ . 1 . 2]" 1
1340 1 43 GLU HG3 1 45 THR MG . . 4.890 4.141 3.723 4.712 . 0 0 "[ . 1 . 2]" 1
1341 1 44 TRP H 1 44 TRP HB2 . . 2.610 2.384 2.303 2.460 . 0 0 "[ . 1 . 2]" 1
1342 1 44 TRP H 1 44 TRP HB3 . . 3.710 3.592 3.551 3.668 . 0 0 "[ . 1 . 2]" 1
1343 1 44 TRP H 1 44 TRP HD1 . . 2.770 2.411 2.316 2.514 . 0 0 "[ . 1 . 2]" 1
1344 1 44 TRP H 1 44 TRP HE1 . . 4.870 4.824 4.665 4.923 0.053 9 0 "[ . 1 . 2]" 1
1345 1 44 TRP H 1 45 THR MG . . 4.570 4.395 4.313 4.474 . 0 0 "[ . 1 . 2]" 1
1346 1 44 TRP H 1 55 VAL HA . . 4.590 4.412 4.282 4.555 . 0 0 "[ . 1 . 2]" 1
1347 1 44 TRP H 1 55 VAL MG2 . . 4.430 3.995 3.847 4.164 . 0 0 "[ . 1 . 2]" 1
1348 1 44 TRP H 1 56 THR H . . 4.940 4.808 4.670 4.978 0.038 14 0 "[ . 1 . 2]" 1
1349 1 44 TRP HA 1 44 TRP HD1 . . 4.710 3.819 3.708 3.918 . 0 0 "[ . 1 . 2]" 1
1350 1 44 TRP HA 1 44 TRP HE1 . . 5.400 5.233 5.130 5.384 . 0 0 "[ . 1 . 2]" 1
1351 1 44 TRP HA 1 44 TRP HE3 . . 4.730 3.709 3.557 3.900 . 0 0 "[ . 1 . 2]" 1
1352 1 44 TRP HA 1 45 THR H . . 2.400 2.185 2.132 2.244 . 0 0 "[ . 1 . 2]" 1
1353 1 44 TRP HA 1 45 THR MG . . 4.560 3.451 3.323 3.503 . 0 0 "[ . 1 . 2]" 1
1354 1 44 TRP HA 1 54 THR H . . 4.400 4.171 4.110 4.233 . 0 0 "[ . 1 . 2]" 1
1355 1 44 TRP HA 1 55 VAL HA . . 3.360 2.287 2.210 2.368 . 0 0 "[ . 1 . 2]" 1
1356 1 44 TRP HA 1 55 VAL HB . . 4.650 3.243 3.132 3.383 . 0 0 "[ . 1 . 2]" 1
1357 1 44 TRP HA 1 55 VAL MG2 . . 4.100 3.333 3.290 3.410 . 0 0 "[ . 1 . 2]" 1
1358 1 44 TRP HA 1 56 THR H . . 3.710 3.677 3.540 3.763 0.053 14 0 "[ . 1 . 2]" 1
1359 1 44 TRP HB2 1 44 TRP HE1 . . 5.080 4.883 4.833 4.922 . 0 0 "[ . 1 . 2]" 1
1360 1 44 TRP HB2 1 45 THR H . . 4.200 4.199 4.128 4.228 0.028 3 0 "[ . 1 . 2]" 1
1361 1 44 TRP HB3 1 44 TRP HE3 . . 3.700 2.535 2.442 2.642 . 0 0 "[ . 1 . 2]" 1
1362 1 44 TRP HB3 1 45 THR H . . 3.140 3.178 3.033 3.207 0.067 6 0 "[ . 1 . 2]" 1
1363 1 44 TRP HD1 1 55 VAL MG1 . . 5.500 5.569 5.520 5.590 0.090 20 0 "[ . 1 . 2]" 1
1364 1 44 TRP HD1 1 55 VAL MG2 . . 4.390 3.203 3.137 3.258 . 0 0 "[ . 1 . 2]" 1
1365 1 44 TRP HE1 1 55 VAL HA . . 5.500 5.339 5.173 5.450 . 0 0 "[ . 1 . 2]" 1
1366 1 44 TRP HE1 1 55 VAL HB . . 4.260 4.261 4.104 4.314 0.054 4 0 "[ . 1 . 2]" 1
1367 1 44 TRP HE1 1 55 VAL MG1 . . 4.890 4.565 4.450 4.638 . 0 0 "[ . 1 . 2]" 1
1368 1 44 TRP HE1 1 55 VAL MG2 . . 2.810 2.646 2.518 2.745 . 0 0 "[ . 1 . 2]" 1
1369 1 44 TRP HE3 1 45 THR H . . 4.210 4.241 4.012 4.275 0.065 8 0 "[ . 1 . 2]" 1
1370 1 44 TRP HE3 1 53 PHE HB3 . . 4.820 2.948 2.652 3.135 . 0 0 "[ . 1 . 2]" 1
1371 1 44 TRP HE3 1 54 THR H . . 4.490 4.538 4.371 4.563 0.073 19 0 "[ . 1 . 2]" 1
1372 1 44 TRP HH2 1 55 VAL MG1 . . 4.500 3.369 3.214 3.564 . 0 0 "[ . 1 . 2]" 1
1373 1 44 TRP HH2 1 55 VAL MG2 . . 4.720 4.243 4.140 4.395 . 0 0 "[ . 1 . 2]" 1
1374 1 44 TRP HZ2 1 55 VAL HB . . 5.200 4.046 3.853 4.196 . 0 0 "[ . 1 . 2]" 1
1375 1 44 TRP HZ2 1 55 VAL MG1 . . 4.560 3.452 3.287 3.610 . 0 0 "[ . 1 . 2]" 1
1376 1 44 TRP HZ2 1 55 VAL MG2 . . 3.980 2.942 2.853 3.109 . 0 0 "[ . 1 . 2]" 1
1377 1 44 TRP HZ3 1 53 PHE HB3 . . 4.150 3.752 3.455 4.198 0.048 3 0 "[ . 1 . 2]" 1
1378 1 45 THR H 1 45 THR HB . . 3.920 3.767 3.718 3.815 . 0 0 "[ . 1 . 2]" 1
1379 1 45 THR H 1 45 THR MG . . 2.920 2.636 2.554 2.731 . 0 0 "[ . 1 . 2]" 1
1380 1 45 THR H 1 46 TYR H . . 4.500 4.502 4.294 4.558 0.058 6 0 "[ . 1 . 2]" 1
1381 1 45 THR H 1 46 TYR HA . . 4.960 4.897 4.747 4.990 0.030 6 0 "[ . 1 . 2]" 1
1382 1 45 THR H 1 46 TYR HB2 . . 5.490 5.320 5.089 5.469 . 0 0 "[ . 1 . 2]" 1
1383 1 45 THR H 1 53 PHE HA . . 4.320 4.325 4.152 4.387 0.067 20 0 "[ . 1 . 2]" 1
1384 1 45 THR H 1 53 PHE HB3 . . 4.620 4.239 3.576 4.626 0.006 20 0 "[ . 1 . 2]" 1
1385 1 45 THR H 1 53 PHE QD . . 5.000 4.421 4.238 4.661 . 0 0 "[ . 1 . 2]" 1
1386 1 45 THR H 1 54 THR H . . 2.760 2.543 2.463 2.619 . 0 0 "[ . 1 . 2]" 1
1387 1 45 THR H 1 54 THR HB . . 3.980 3.812 3.571 4.022 0.042 3 0 "[ . 1 . 2]" 1
1388 1 45 THR H 1 54 THR MG . . 4.760 4.703 4.603 4.807 0.047 19 0 "[ . 1 . 2]" 1
1389 1 45 THR H 1 55 VAL H . . 4.910 4.952 4.891 4.967 0.057 9 0 "[ . 1 . 2]" 1
1390 1 45 THR H 1 55 VAL HA . . 3.760 3.601 3.536 3.729 . 0 0 "[ . 1 . 2]" 1
1391 1 45 THR H 1 55 VAL HB . . 4.930 4.647 4.565 4.730 . 0 0 "[ . 1 . 2]" 1
1392 1 45 THR H 1 55 VAL MG1 . . 5.500 5.490 5.417 5.563 0.063 7 0 "[ . 1 . 2]" 1
1393 1 45 THR H 1 56 THR H . . 5.200 4.769 4.636 4.974 . 0 0 "[ . 1 . 2]" 1
1394 1 45 THR HA 1 46 TYR H . . 2.850 2.653 2.569 2.832 . 0 0 "[ . 1 . 2]" 1
1395 1 45 THR HA 1 54 THR H . . 4.570 4.619 4.546 4.638 0.068 5 0 "[ . 1 . 2]" 1
1396 1 45 THR HB 1 46 TYR H . . 2.520 2.441 2.201 2.576 0.056 12 0 "[ . 1 . 2]" 1
1397 1 45 THR HB 1 54 THR H . . 4.620 4.518 4.367 4.662 0.042 12 0 "[ . 1 . 2]" 1
1398 1 45 THR MG 1 46 TYR H . . 4.810 3.963 3.832 4.051 . 0 0 "[ . 1 . 2]" 1
1399 1 45 THR MG 1 54 THR H . . 4.050 4.097 3.863 4.151 0.101 19 0 "[ . 1 . 2]" 1
1400 1 46 TYR H 1 46 TYR HB2 . . 3.550 3.390 3.323 3.549 . 0 0 "[ . 1 . 2]" 1
1401 1 46 TYR H 1 46 TYR HB3 . . 3.090 2.858 2.677 3.139 0.049 9 0 "[ . 1 . 2]" 1
1402 1 46 TYR H 1 47 ASP H . . 4.380 4.202 4.066 4.303 . 0 0 "[ . 1 . 2]" 1
1403 1 46 TYR H 1 47 ASP HA . . 4.760 4.793 4.686 4.824 0.064 10 0 "[ . 1 . 2]" 1
1404 1 46 TYR H 1 53 PHE HA . . 4.700 4.587 4.177 4.738 0.038 17 0 "[ . 1 . 2]" 1
1405 1 46 TYR H 1 54 THR H . . 4.810 4.739 4.283 4.853 0.043 17 0 "[ . 1 . 2]" 1
1406 1 46 TYR HA 1 47 ASP H . . 2.530 2.169 2.096 2.260 . 0 0 "[ . 1 . 2]" 1
1407 1 46 TYR HA 1 52 THR H . . 4.950 4.785 4.585 4.958 0.008 17 0 "[ . 1 . 2]" 1
1408 1 46 TYR HA 1 53 PHE HA . . 3.690 2.274 2.102 2.383 . 0 0 "[ . 1 . 2]" 1
1409 1 46 TYR HA 1 54 THR H . . 4.140 3.815 3.719 3.915 . 0 0 "[ . 1 . 2]" 1
1410 1 46 TYR HB2 1 47 ASP H . . 4.340 4.093 4.016 4.246 . 0 0 "[ . 1 . 2]" 1
1411 1 46 TYR HB2 1 53 PHE HA . . 4.990 3.966 3.759 4.158 . 0 0 "[ . 1 . 2]" 1
1412 1 46 TYR HB2 1 53 PHE QD . . 4.140 3.017 2.439 3.369 . 0 0 "[ . 1 . 2]" 1
1413 1 46 TYR HB2 1 54 THR H . . 5.420 5.221 4.997 5.360 . 0 0 "[ . 1 . 2]" 1
1414 1 46 TYR HB3 1 53 PHE QD . . 5.490 4.692 4.126 5.026 . 0 0 "[ . 1 . 2]" 1
1415 1 46 TYR QE 1 47 ASP H . . 4.340 4.013 3.762 4.400 0.060 12 0 "[ . 1 . 2]" 1
1416 1 46 TYR QE 1 48 ASP H . . 4.270 3.769 3.560 4.118 . 0 0 "[ . 1 . 2]" 1
1417 1 46 TYR QE 1 48 ASP HA . . 3.960 3.086 2.895 3.273 . 0 0 "[ . 1 . 2]" 1
1418 1 46 TYR QE 1 48 ASP QB . . 4.090 2.398 2.221 2.732 . 0 0 "[ . 1 . 2]" 1
1419 1 46 TYR QE 1 51 LYS H . . 4.780 4.692 4.075 4.842 0.062 5 0 "[ . 1 . 2]" 1
1420 1 46 TYR QE 1 51 LYS HA . . 4.060 2.750 2.064 2.970 . 0 0 "[ . 1 . 2]" 1
1421 1 46 TYR QE 1 52 THR H . . 3.810 3.692 3.142 3.870 0.060 10 0 "[ . 1 . 2]" 1
1422 1 46 TYR QE 1 53 PHE H . . 5.500 5.275 4.411 5.589 0.089 14 0 "[ . 1 . 2]" 1
1423 1 46 TYR QE 1 53 PHE QE . . 5.090 3.236 2.789 4.549 . 0 0 "[ . 1 . 2]" 1
1424 1 47 ASP H 1 47 ASP HB2 . . 2.900 2.596 2.401 2.789 . 0 0 "[ . 1 . 2]" 1
1425 1 47 ASP H 1 47 ASP HB3 . . 3.910 3.712 3.606 3.799 . 0 0 "[ . 1 . 2]" 1
1426 1 47 ASP H 1 48 ASP H . . 3.990 3.656 3.494 3.851 . 0 0 "[ . 1 . 2]" 1
1427 1 47 ASP H 1 48 ASP HA . . 4.740 4.399 4.238 4.638 . 0 0 "[ . 1 . 2]" 1
1428 1 47 ASP H 1 48 ASP QB . . 5.340 5.066 4.897 5.253 . 0 0 "[ . 1 . 2]" 1
1429 1 47 ASP H 1 49 ALA H . . 5.390 5.296 5.161 5.446 0.056 2 0 "[ . 1 . 2]" 1
1430 1 47 ASP H 1 50 THR H . . 5.180 5.071 4.942 5.183 0.003 5 0 "[ . 1 . 2]" 1
1431 1 47 ASP H 1 52 THR H . . 3.350 3.039 2.904 3.243 . 0 0 "[ . 1 . 2]" 1
1432 1 47 ASP H 1 52 THR HA . . 5.100 4.803 4.747 4.863 . 0 0 "[ . 1 . 2]" 1
1433 1 47 ASP H 1 52 THR HB . . 4.450 3.902 3.771 4.070 . 0 0 "[ . 1 . 2]" 1
1434 1 47 ASP H 1 52 THR MG . . 5.070 4.506 4.305 4.735 . 0 0 "[ . 1 . 2]" 1
1435 1 47 ASP H 1 53 PHE H . . 5.500 4.911 4.767 5.039 . 0 0 "[ . 1 . 2]" 1
1436 1 47 ASP H 1 53 PHE HA . . 3.960 3.538 3.285 3.810 . 0 0 "[ . 1 . 2]" 1
1437 1 47 ASP H 1 54 THR H . . 5.500 5.332 5.066 5.551 0.051 15 0 "[ . 1 . 2]" 1
1438 1 47 ASP HA 1 48 ASP H . . 2.400 2.309 2.231 2.410 0.010 5 0 "[ . 1 . 2]" 1
1439 1 47 ASP HA 1 48 ASP HA . . 4.780 4.597 4.545 4.654 . 0 0 "[ . 1 . 2]" 1
1440 1 47 ASP HA 1 49 ALA H . . 3.470 3.484 3.367 3.540 0.070 2 0 "[ . 1 . 2]" 1
1441 1 47 ASP HA 1 50 THR H . . 4.780 4.558 4.426 4.705 . 0 0 "[ . 1 . 2]" 1
1442 1 47 ASP HA 1 52 THR H . . 4.940 4.744 4.645 4.848 . 0 0 "[ . 1 . 2]" 1
1443 1 47 ASP HB2 1 50 THR H . . 3.900 3.924 3.643 3.970 0.070 15 0 "[ . 1 . 2]" 1
1444 1 47 ASP HB2 1 50 THR MG . . 5.290 2.592 2.242 3.023 . 0 0 "[ . 1 . 2]" 1
1445 1 47 ASP HB2 1 51 LYS H . . 5.260 4.827 4.427 5.158 . 0 0 "[ . 1 . 2]" 1
1446 1 47 ASP HB2 1 52 THR H . . 3.300 2.970 2.727 3.250 . 0 0 "[ . 1 . 2]" 1
1447 1 47 ASP HB2 1 52 THR HB . . 3.990 2.446 2.175 2.825 . 0 0 "[ . 1 . 2]" 1
1448 1 47 ASP HB2 1 52 THR MG . . 5.250 3.732 3.395 4.041 . 0 0 "[ . 1 . 2]" 1
1449 1 47 ASP HB3 1 48 ASP H . . 4.260 4.081 3.931 4.237 . 0 0 "[ . 1 . 2]" 1
1450 1 47 ASP HB3 1 49 ALA H . . 4.510 3.721 3.410 3.960 . 0 0 "[ . 1 . 2]" 1
1451 1 47 ASP HB3 1 50 THR H . . 4.100 3.235 3.012 3.428 . 0 0 "[ . 1 . 2]" 1
1452 1 47 ASP HB3 1 51 LYS H . . 5.190 4.714 4.396 5.079 . 0 0 "[ . 1 . 2]" 1
1453 1 47 ASP HB3 1 52 THR H . . 4.210 3.963 3.742 4.196 . 0 0 "[ . 1 . 2]" 1
1454 1 47 ASP HB3 1 52 THR HB . . 4.670 3.815 3.529 4.245 . 0 0 "[ . 1 . 2]" 1
1455 1 48 ASP H 1 48 ASP HA . . 2.840 2.819 2.787 2.855 0.015 5 0 "[ . 1 . 2]" 1
1456 1 48 ASP H 1 48 ASP HB2 . . 3.390 2.268 2.125 2.397 . 0 0 "[ . 1 . 2]" 1
1457 1 48 ASP H 1 48 ASP QB . . 2.590 2.168 2.086 2.234 . 0 0 "[ . 1 . 2]" 1
1458 1 48 ASP H 1 48 ASP HB3 . . 3.390 2.798 2.570 3.041 . 0 0 "[ . 1 . 2]" 1
1459 1 48 ASP H 1 49 ALA H . . 2.950 2.641 2.491 2.742 . 0 0 "[ . 1 . 2]" 1
1460 1 48 ASP H 1 49 ALA MB . . 4.660 4.206 4.095 4.414 . 0 0 "[ . 1 . 2]" 1
1461 1 48 ASP H 1 50 THR H . . 4.570 4.406 4.303 4.529 . 0 0 "[ . 1 . 2]" 1
1462 1 48 ASP H 1 51 LYS H . . 4.850 4.726 4.574 4.890 0.040 7 0 "[ . 1 . 2]" 1
1463 1 48 ASP H 1 52 THR H . . 5.390 4.842 4.672 4.960 . 0 0 "[ . 1 . 2]" 1
1464 1 48 ASP HA 1 50 THR H . . 5.140 3.828 3.666 4.180 . 0 0 "[ . 1 . 2]" 1
1465 1 48 ASP HA 1 51 LYS H . . 4.080 2.921 2.725 3.132 . 0 0 "[ . 1 . 2]" 1
1466 1 48 ASP HA 1 52 THR H . . 5.100 3.922 3.623 4.093 . 0 0 "[ . 1 . 2]" 1
1467 1 48 ASP QB 1 49 ALA H . . 3.100 2.612 2.401 2.910 . 0 0 "[ . 1 . 2]" 1
1468 1 48 ASP QB 1 49 ALA MB . . 4.820 3.956 3.766 4.094 . 0 0 "[ . 1 . 2]" 1
1469 1 48 ASP QB 1 50 THR H . . 5.340 4.644 4.570 4.787 . 0 0 "[ . 1 . 2]" 1
1470 1 48 ASP QB 1 51 LYS H . . 4.830 4.551 4.398 4.696 . 0 0 "[ . 1 . 2]" 1
1471 1 48 ASP HB2 1 49 ALA H . . 3.580 3.648 3.636 3.657 0.077 16 0 "[ . 1 . 2]" 1
1472 1 48 ASP HB2 1 51 LYS H . . 5.500 5.281 5.137 5.439 . 0 0 "[ . 1 . 2]" 1
1473 1 48 ASP HB3 1 49 ALA H . . 3.580 2.681 2.435 3.062 . 0 0 "[ . 1 . 2]" 1
1474 1 48 ASP HB3 1 51 LYS H . . 5.500 4.969 4.780 5.142 . 0 0 "[ . 1 . 2]" 1
1475 1 49 ALA H 1 49 ALA HA . . 2.860 2.789 2.757 2.841 . 0 0 "[ . 1 . 2]" 1
1476 1 49 ALA H 1 49 ALA MB . . 2.400 2.200 2.120 2.305 . 0 0 "[ . 1 . 2]" 1
1477 1 49 ALA H 1 50 THR H . . 2.890 2.878 2.691 2.947 0.057 18 0 "[ . 1 . 2]" 1
1478 1 49 ALA H 1 50 THR MG . . 4.570 4.173 3.890 4.570 . 0 0 "[ . 1 . 2]" 1
1479 1 49 ALA H 1 51 LYS H . . 4.070 3.854 3.727 4.049 . 0 0 "[ . 1 . 2]" 1
1480 1 49 ALA H 1 52 THR H . . 5.450 5.197 4.987 5.426 . 0 0 "[ . 1 . 2]" 1
1481 1 49 ALA MB 1 50 THR H . . 2.640 2.704 2.582 2.732 0.092 13 0 "[ . 1 . 2]" 1
1482 1 49 ALA MB 1 50 THR HA . . 4.970 4.223 4.084 4.301 . 0 0 "[ . 1 . 2]" 1
1483 1 49 ALA MB 1 50 THR HB . . 5.500 3.542 3.247 3.750 . 0 0 "[ . 1 . 2]" 1
1484 1 49 ALA MB 1 50 THR MG . . 3.170 2.877 2.633 3.256 0.086 3 0 "[ . 1 . 2]" 1
1485 1 49 ALA MB 1 51 LYS H . . 4.460 4.248 4.163 4.383 . 0 0 "[ . 1 . 2]" 1
1486 1 49 ALA MB 1 52 THR H . . 5.500 5.378 5.146 5.585 0.085 12 0 "[ . 1 . 2]" 1
1487 1 50 THR H 1 50 THR MG . . 2.600 2.299 2.072 2.385 . 0 0 "[ . 1 . 2]" 1
1488 1 50 THR H 1 51 LYS H . . 2.420 1.969 1.753 2.142 . 0 0 "[ . 1 . 2]" 1
1489 1 50 THR H 1 51 LYS HA . . 5.390 3.914 3.685 4.219 . 0 0 "[ . 1 . 2]" 1
1490 1 50 THR H 1 51 LYS QB . . 5.360 4.848 4.531 5.118 . 0 0 "[ . 1 . 2]" 1
1491 1 50 THR H 1 51 LYS HG2 . . 5.150 4.817 4.482 5.220 0.070 7 0 "[ . 1 . 2]" 1
1492 1 50 THR H 1 51 LYS QG . . 4.370 4.169 3.834 4.431 0.061 16 0 "[ . 1 . 2]" 1
1493 1 50 THR H 1 51 LYS HG3 . . 5.150 4.625 4.153 5.223 0.073 16 0 "[ . 1 . 2]" 1
1494 1 50 THR H 1 52 THR H . . 3.850 3.454 3.220 3.723 . 0 0 "[ . 1 . 2]" 1
1495 1 50 THR H 1 52 THR HB . . 5.080 4.586 4.312 4.872 . 0 0 "[ . 1 . 2]" 1
1496 1 50 THR HA 1 50 THR MG . . 3.210 3.242 3.213 3.257 0.047 19 0 "[ . 1 . 2]" 1
1497 1 50 THR HA 1 51 LYS H . . 3.170 3.138 3.043 3.239 0.069 2 0 "[ . 1 . 2]" 1
1498 1 50 THR HB 1 51 LYS H . . 5.120 4.521 4.373 4.606 . 0 0 "[ . 1 . 2]" 1
1499 1 50 THR MG 1 51 LYS H . . 3.640 3.396 3.001 3.559 . 0 0 "[ . 1 . 2]" 1
1500 1 50 THR MG 1 51 LYS HA . . 4.440 4.462 4.192 4.530 0.090 7 0 "[ . 1 . 2]" 1
1501 1 50 THR MG 1 52 THR H . . 4.340 2.800 2.620 3.269 . 0 0 "[ . 1 . 2]" 1
1502 1 51 LYS H 1 51 LYS HA . . 2.410 2.244 2.193 2.284 . 0 0 "[ . 1 . 2]" 1
1503 1 51 LYS H 1 51 LYS QB . . 3.490 3.194 2.822 3.440 . 0 0 "[ . 1 . 2]" 1
1504 1 51 LYS H 1 51 LYS HD3 . . 5.500 5.192 4.836 5.532 0.032 19 0 "[ . 1 . 2]" 1
1505 1 51 LYS H 1 51 LYS QE . . 5.230 4.909 4.573 5.275 0.045 10 0 "[ . 1 . 2]" 1
1506 1 51 LYS H 1 51 LYS HG2 . . 3.720 3.018 2.715 3.300 . 0 0 "[ . 1 . 2]" 1
1507 1 51 LYS H 1 51 LYS QG . . 2.960 2.627 2.313 3.030 0.070 18 0 "[ . 1 . 2]" 1
1508 1 51 LYS H 1 51 LYS HG3 . . 3.720 2.975 2.473 3.778 0.058 17 0 "[ . 1 . 2]" 1
1509 1 51 LYS H 1 52 THR H . . 3.300 2.983 2.653 3.172 . 0 0 "[ . 1 . 2]" 1
1510 1 51 LYS H 1 52 THR HA . . 5.500 5.449 5.215 5.558 0.058 16 0 "[ . 1 . 2]" 1
1511 1 51 LYS H 1 52 THR HB . . 5.370 4.940 4.608 5.182 . 0 0 "[ . 1 . 2]" 1
1512 1 51 LYS HA 1 51 LYS HD3 . . 4.770 4.566 3.941 4.830 0.060 20 0 "[ . 1 . 2]" 1
1513 1 51 LYS HA 1 51 LYS QE . . 4.900 4.239 3.664 4.978 0.078 16 0 "[ . 1 . 2]" 1
1514 1 51 LYS HA 1 51 LYS HG2 . . 3.940 2.769 2.268 3.748 . 0 0 "[ . 1 . 2]" 1
1515 1 51 LYS HA 1 51 LYS QG . . 3.430 2.613 2.223 3.317 . 0 0 "[ . 1 . 2]" 1
1516 1 51 LYS HA 1 51 LYS HG3 . . 3.940 3.341 3.031 3.761 . 0 0 "[ . 1 . 2]" 1
1517 1 51 LYS HA 1 52 THR H . . 2.860 2.557 2.431 2.845 . 0 0 "[ . 1 . 2]" 1
1518 1 51 LYS QB 1 51 LYS HD2 . . 3.910 3.096 2.174 3.365 . 0 0 "[ . 1 . 2]" 1
1519 1 51 LYS QB 1 51 LYS HD3 . . 3.820 2.394 2.220 3.262 . 0 0 "[ . 1 . 2]" 1
1520 1 51 LYS QB 1 52 THR H . . 4.110 3.977 3.947 4.026 . 0 0 "[ . 1 . 2]" 1
1521 1 51 LYS QB 1 52 THR HA . . 5.190 4.505 4.343 4.762 . 0 0 "[ . 1 . 2]" 1
1522 1 51 LYS HD3 1 51 LYS QG . . 2.640 2.417 2.206 2.500 . 0 0 "[ . 1 . 2]" 1
1523 1 51 LYS HG2 1 52 THR H . . 5.220 4.960 4.695 5.270 0.050 3 0 "[ . 1 . 2]" 1
1524 1 51 LYS HG3 1 52 THR H . . 5.220 4.993 4.524 5.262 0.042 9 0 "[ . 1 . 2]" 1
1525 1 52 THR H 1 52 THR HB . . 2.960 2.551 2.436 2.742 . 0 0 "[ . 1 . 2]" 1
1526 1 52 THR H 1 52 THR MG . . 4.120 3.852 3.789 3.918 . 0 0 "[ . 1 . 2]" 1
1527 1 52 THR H 1 53 PHE H . . 4.430 4.455 4.374 4.488 0.058 19 0 "[ . 1 . 2]" 1
1528 1 52 THR HA 1 52 THR MG . . 3.290 2.447 2.367 2.532 . 0 0 "[ . 1 . 2]" 1
1529 1 52 THR HA 1 53 PHE H . . 2.400 2.263 2.182 2.373 . 0 0 "[ . 1 . 2]" 1
1530 1 52 THR HA 1 53 PHE HB2 . . 4.970 4.468 4.198 4.983 0.013 16 0 "[ . 1 . 2]" 1
1531 1 52 THR HA 1 53 PHE QD . . 4.830 3.494 3.055 3.995 . 0 0 "[ . 1 . 2]" 1
1532 1 52 THR HB 1 53 PHE H . . 4.260 3.944 3.802 4.213 . 0 0 "[ . 1 . 2]" 1
1533 1 52 THR MG 1 53 PHE H . . 2.810 2.340 2.163 2.634 . 0 0 "[ . 1 . 2]" 1
1534 1 52 THR MG 1 53 PHE HA . . 4.540 3.788 3.633 3.890 . 0 0 "[ . 1 . 2]" 1
1535 1 52 THR MG 1 53 PHE HB3 . . 5.100 5.030 4.906 5.165 0.065 12 0 "[ . 1 . 2]" 1
1536 1 53 PHE H 1 53 PHE HB2 . . 2.980 2.541 2.368 2.875 . 0 0 "[ . 1 . 2]" 1
1537 1 53 PHE H 1 53 PHE HB3 . . 3.780 3.673 3.563 3.843 0.063 16 0 "[ . 1 . 2]" 1
1538 1 53 PHE H 1 53 PHE QD . . 2.970 2.874 2.277 3.034 0.064 8 0 "[ . 1 . 2]" 1
1539 1 53 PHE H 1 53 PHE QE . . 5.500 5.106 4.624 5.289 . 0 0 "[ . 1 . 2]" 1
1540 1 53 PHE H 1 54 THR H . . 4.690 4.458 4.351 4.585 . 0 0 "[ . 1 . 2]" 1
1541 1 53 PHE H 1 54 THR HA . . 5.500 4.771 4.609 5.001 . 0 0 "[ . 1 . 2]" 1
1542 1 53 PHE HA 1 53 PHE QD . . 4.200 3.045 2.917 3.361 . 0 0 "[ . 1 . 2]" 1
1543 1 53 PHE HA 1 54 THR H . . 2.400 2.367 2.331 2.411 0.011 2 0 "[ . 1 . 2]" 1
1544 1 53 PHE HB3 1 54 THR H . . 3.300 2.956 2.631 3.201 . 0 0 "[ . 1 . 2]" 1
1545 1 53 PHE HB3 1 55 VAL H . . 5.500 5.417 5.190 5.557 0.057 6 0 "[ . 1 . 2]" 1
1546 1 53 PHE QD 1 54 THR H . . 4.240 4.036 3.853 4.315 0.075 7 0 "[ . 1 . 2]" 1
1547 1 54 THR H 1 54 THR HB . . 3.050 2.819 2.695 2.905 . 0 0 "[ . 1 . 2]" 1
1548 1 54 THR H 1 54 THR MG . . 3.990 3.947 3.900 4.004 0.014 7 0 "[ . 1 . 2]" 1
1549 1 54 THR H 1 55 VAL H . . 4.270 4.281 4.145 4.328 0.058 5 0 "[ . 1 . 2]" 1
1550 1 54 THR H 1 55 VAL HA . . 4.950 4.635 4.555 4.694 . 0 0 "[ . 1 . 2]" 1
1551 1 54 THR H 1 55 VAL HB . . 5.340 5.101 5.015 5.175 . 0 0 "[ . 1 . 2]" 1
1552 1 54 THR H 1 55 VAL MG1 . . 5.420 5.203 5.134 5.277 . 0 0 "[ . 1 . 2]" 1
1553 1 54 THR HA 1 54 THR MG . . 3.010 2.355 2.299 2.430 . 0 0 "[ . 1 . 2]" 1
1554 1 54 THR HA 1 55 VAL H . . 2.400 2.239 2.176 2.276 . 0 0 "[ . 1 . 2]" 1
1555 1 54 THR HA 1 55 VAL MG1 . . 4.300 3.673 3.573 3.806 . 0 0 "[ . 1 . 2]" 1
1556 1 54 THR MG 1 55 VAL H . . 3.080 2.703 2.527 3.021 . 0 0 "[ . 1 . 2]" 1
1557 1 54 THR MG 1 55 VAL HA . . 5.420 4.024 3.899 4.157 . 0 0 "[ . 1 . 2]" 1
1558 1 54 THR MG 1 55 VAL MG1 . . 4.350 4.111 3.954 4.317 . 0 0 "[ . 1 . 2]" 1
1559 1 54 THR MG 1 56 THR H . . 4.380 4.030 3.815 4.213 . 0 0 "[ . 1 . 2]" 1
1560 1 55 VAL H 1 55 VAL HB . . 3.220 3.212 3.089 3.280 0.060 16 0 "[ . 1 . 2]" 1
1561 1 55 VAL H 1 55 VAL MG1 . . 2.610 2.158 2.076 2.232 . 0 0 "[ . 1 . 2]" 1
1562 1 55 VAL H 1 55 VAL MG2 . . 3.880 3.879 3.843 3.904 0.024 18 0 "[ . 1 . 2]" 1
1563 1 55 VAL H 1 56 THR HA . . 5.320 4.694 4.506 4.879 . 0 0 "[ . 1 . 2]" 1
1564 1 55 VAL HA 1 55 VAL MG1 . . 3.650 3.257 3.238 3.277 . 0 0 "[ . 1 . 2]" 1
1565 1 55 VAL HA 1 55 VAL MG2 . . 2.960 2.376 2.325 2.430 . 0 0 "[ . 1 . 2]" 1
1566 1 55 VAL HA 1 56 THR H . . 2.400 2.132 2.071 2.161 . 0 0 "[ . 1 . 2]" 1
1567 1 55 VAL HB 1 56 THR H . . 4.360 4.321 4.280 4.367 0.007 18 0 "[ . 1 . 2]" 1
1568 1 55 VAL MG1 1 56 THR H . . 4.280 4.332 4.281 4.356 0.076 11 0 "[ . 1 . 2]" 1
1569 1 55 VAL MG1 1 57 GLU H . . 4.660 4.468 4.319 4.714 0.054 7 0 "[ . 1 . 2]" 1
1570 1 55 VAL MG1 1 57 GLU QG . . 5.290 5.295 4.806 5.392 0.102 18 0 "[ . 1 . 2]" 1
1571 1 55 VAL MG2 1 56 THR H . . 3.020 3.077 2.995 3.102 0.082 14 0 "[ . 1 . 2]" 1
1572 1 55 VAL MG2 1 57 GLU H . . 4.280 3.721 3.531 3.963 . 0 0 "[ . 1 . 2]" 1
1573 1 55 VAL MG2 1 57 GLU HA . . 5.330 3.704 3.342 4.182 . 0 0 "[ . 1 . 2]" 1
1574 1 55 VAL MG2 1 57 GLU HB2 . . 5.080 3.931 3.826 4.055 . 0 0 "[ . 1 . 2]" 1
1575 1 55 VAL MG2 1 57 GLU QG . . 4.980 4.186 3.610 4.383 . 0 0 "[ . 1 . 2]" 1
1576 1 56 THR H 1 56 THR HB . . 3.130 2.865 2.525 3.102 . 0 0 "[ . 1 . 2]" 1
1577 1 56 THR H 1 56 THR MG . . 3.870 3.815 3.721 3.883 0.013 18 0 "[ . 1 . 2]" 1
1578 1 56 THR H 1 57 GLU H . . 4.380 4.156 4.037 4.234 . 0 0 "[ . 1 . 2]" 1
1579 1 56 THR H 1 57 GLU HA . . 5.160 4.999 4.865 5.104 . 0 0 "[ . 1 . 2]" 1
1580 1 56 THR HA 1 56 THR MG . . 3.640 2.188 2.107 2.331 . 0 0 "[ . 1 . 2]" 1
1581 1 56 THR HA 1 57 GLU H . . 2.400 2.188 2.038 2.287 . 0 0 "[ . 1 . 2]" 1
1582 1 56 THR HB 1 57 GLU H . . 4.140 4.211 4.191 4.225 0.085 9 0 "[ . 1 . 2]" 1
1583 1 56 THR MG 1 57 GLU H . . 3.450 3.293 3.041 3.475 0.025 8 0 "[ . 1 . 2]" 1
1584 1 57 GLU H 1 57 GLU HB2 . . 2.740 2.311 2.190 2.431 . 0 0 "[ . 1 . 2]" 1
1585 1 57 GLU H 1 57 GLU HB3 . . 3.080 2.770 2.610 3.094 0.014 16 0 "[ . 1 . 2]" 1
1586 1 57 GLU H 1 57 GLU QG . . 3.800 3.873 3.774 3.892 0.092 12 0 "[ . 1 . 2]" 1
1587 1 57 GLU HA 1 57 GLU QG . . 3.320 2.277 2.071 2.411 . 0 0 "[ . 1 . 2]" 1
1588 1 57 GLU HB3 1 57 GLU QG . . 2.550 2.492 2.406 2.566 0.016 7 0 "[ . 1 . 2]" 1
stop_
save_