NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558454 |
2m16   |
18478 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m16
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 1431
_Distance_constraint_stats_list.Viol_count 1720
_Distance_constraint_stats_list.Viol_total 849.529
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0247
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 MET 0.027 0.006 4 0 "[ . 1 . 2]"
1 6 THR 0.005 0.005 17 0 "[ . 1 . 2]"
1 7 ARG 0.029 0.006 4 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.114 0.007 14 0 "[ . 1 . 2]"
1 10 LYS 0.084 0.016 8 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.006 0.006 14 0 "[ . 1 . 2]"
1 13 ASP 0.196 0.016 8 0 "[ . 1 . 2]"
1 14 LEU 1.133 0.130 14 0 "[ . 1 . 2]"
1 15 ILE 1.288 0.052 13 0 "[ . 1 . 2]"
1 16 PHE 1.044 0.054 15 0 "[ . 1 . 2]"
1 17 ALA 0.776 0.069 8 0 "[ . 1 . 2]"
1 18 LYS 0.377 0.040 18 0 "[ . 1 . 2]"
1 19 MET 0.686 0.042 18 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.152 0.042 18 0 "[ . 1 . 2]"
1 22 TYR 0.320 0.032 10 0 "[ . 1 . 2]"
1 23 PRO 0.245 0.097 3 0 "[ . 1 . 2]"
1 24 HIS 0.611 0.097 3 0 "[ . 1 . 2]"
1 25 TRP 2.247 0.124 14 0 "[ . 1 . 2]"
1 26 PRO 2.819 0.139 20 0 "[ . 1 . 2]"
1 27 ALA 0.586 0.044 4 0 "[ . 1 . 2]"
1 28 ARG 0.553 0.048 10 0 "[ . 1 . 2]"
1 29 VAL 0.630 0.035 8 0 "[ . 1 . 2]"
1 30 ASP 0.028 0.011 14 0 "[ . 1 . 2]"
1 31 GLU 0.163 0.040 5 0 "[ . 1 . 2]"
1 32 VAL 0.069 0.034 5 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.179 0.020 6 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.102 0.019 4 0 "[ . 1 . 2]"
1 37 VAL 0.184 0.020 6 0 "[ . 1 . 2]"
1 38 LYS 0.098 0.019 4 0 "[ . 1 . 2]"
1 40 PRO 0.166 0.033 4 0 "[ . 1 . 2]"
1 41 THR 0.350 0.037 7 0 "[ . 1 . 2]"
1 42 ASN 0.365 0.037 7 0 "[ . 1 . 2]"
1 43 LYS 0.046 0.009 7 0 "[ . 1 . 2]"
1 44 LEU 0.489 0.028 6 0 "[ . 1 . 2]"
1 45 PRO 0.079 0.015 6 0 "[ . 1 . 2]"
1 46 ILE 0.888 0.028 6 0 "[ . 1 . 2]"
1 47 PHE 1.124 0.048 10 0 "[ . 1 . 2]"
1 48 PHE 1.500 0.076 5 0 "[ . 1 . 2]"
1 49 PHE 2.002 0.100 19 0 "[ . 1 . 2]"
1 50 GLY 1.714 0.124 14 0 "[ . 1 . 2]"
1 51 THR 1.779 0.109 20 0 "[ . 1 . 2]"
1 52 HIS 0.212 0.026 16 0 "[ . 1 . 2]"
1 53 GLU 1.898 0.133 11 0 "[ . 1 . 2]"
1 54 THR 0.466 0.025 14 0 "[ . 1 . 2]"
1 55 ALA 0.715 0.036 8 0 "[ . 1 . 2]"
1 56 PHE 0.110 0.011 3 0 "[ . 1 . 2]"
1 57 LEU 0.298 0.017 16 0 "[ . 1 . 2]"
1 58 GLY 0.018 0.009 7 0 "[ . 1 . 2]"
1 59 PRO 0.737 0.055 3 0 "[ . 1 . 2]"
1 60 LYS 0.009 0.005 17 0 "[ . 1 . 2]"
1 61 ASP 0.583 0.028 17 0 "[ . 1 . 2]"
1 62 ILE 1.340 0.055 3 0 "[ . 1 . 2]"
1 63 PHE 2.145 0.095 15 0 "[ . 1 . 2]"
1 64 PRO 2.075 0.095 15 0 "[ . 1 . 2]"
1 65 TYR 3.021 0.087 14 0 "[ . 1 . 2]"
1 66 SER 1.345 0.043 11 0 "[ . 1 . 2]"
1 67 GLU 0.630 0.039 13 0 "[ . 1 . 2]"
1 68 ASN 3.716 0.189 8 0 "[ . 1 . 2]"
1 69 LYS 1.710 0.073 1 0 "[ . 1 . 2]"
1 70 GLU 0.128 0.034 3 0 "[ . 1 . 2]"
1 71 LYS 1.354 0.141 15 0 "[ . 1 . 2]"
1 72 TYR 3.622 0.189 8 0 "[ . 1 . 2]"
1 73 GLY 2.477 0.087 14 0 "[ . 1 . 2]"
1 74 LYS 0.020 0.012 17 0 "[ . 1 . 2]"
1 75 PRO 0.453 0.067 14 0 "[ . 1 . 2]"
1 76 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.022 0.015 5 0 "[ . 1 . 2]"
1 78 ARG 1.850 0.212 19 0 "[ . 1 . 2]"
1 79 LYS 0.054 0.021 19 0 "[ . 1 . 2]"
1 80 GLY 0.569 0.092 13 0 "[ . 1 . 2]"
1 81 PHE 4.386 0.141 8 0 "[ . 1 . 2]"
1 82 ASN 1.204 0.079 16 0 "[ . 1 . 2]"
1 83 GLU 2.021 0.105 19 0 "[ . 1 . 2]"
1 84 GLY 0.398 0.067 2 0 "[ . 1 . 2]"
1 85 LEU 2.600 0.087 20 0 "[ . 1 . 2]"
1 86 TRP 1.431 0.087 20 0 "[ . 1 . 2]"
1 87 GLU 1.701 0.065 19 0 "[ . 1 . 2]"
1 88 ILE 3.730 0.139 20 0 "[ . 1 . 2]"
1 89 ASP 0.772 0.187 11 0 "[ . 1 . 2]"
1 90 ASN 1.207 0.187 11 0 "[ . 1 . 2]"
1 91 ASN 1.039 0.058 20 0 "[ . 1 . 2]"
1 92 PRO 0.333 0.071 9 0 "[ . 1 . 2]"
1 93 LYS 1.159 0.221 16 0 "[ . 1 . 2]"
1 94 VAL 1.926 0.225 18 0 "[ . 1 . 2]"
1 95 LYS 0.806 0.225 18 0 "[ . 1 . 2]"
1 96 PHE 0.283 0.157 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 MET HA 1 7 ARG H . . 4.840 4.293 3.450 4.846 0.006 4 0 "[ . 1 . 2]" 1
2 1 5 MET HA 1 60 LYS HA . . 4.740 4.157 2.960 4.744 0.004 17 0 "[ . 1 . 2]" 1
3 1 5 MET QB 1 7 ARG QD . . 4.660 4.366 2.645 4.664 0.004 4 0 "[ . 1 . 2]" 1
4 1 5 MET QB 1 7 ARG QG . . 4.100 3.272 2.482 4.101 0.001 15 0 "[ . 1 . 2]" 1
5 1 5 MET HB2 1 7 ARG H . . 5.500 3.575 2.486 4.949 . 0 0 "[ . 1 . 2]" 1
6 1 5 MET HB3 1 7 ARG H . . 5.500 3.318 2.266 4.868 . 0 0 "[ . 1 . 2]" 1
7 1 6 THR H 1 60 LYS HA . . 5.500 5.327 4.915 5.492 . 0 0 "[ . 1 . 2]" 1
8 1 6 THR HA 1 60 LYS QD . . 3.900 3.355 1.967 3.880 . 0 0 "[ . 1 . 2]" 1
9 1 6 THR HA 1 60 LYS HG2 . . 4.430 2.975 2.093 4.356 . 0 0 "[ . 1 . 2]" 1
10 1 6 THR HA 1 60 LYS QG . . 3.650 2.499 2.010 3.303 . 0 0 "[ . 1 . 2]" 1
11 1 6 THR HA 1 60 LYS HG3 . . 4.430 3.113 2.283 3.921 . 0 0 "[ . 1 . 2]" 1
12 1 6 THR HB 1 7 ARG H . . 5.130 3.823 2.893 4.463 . 0 0 "[ . 1 . 2]" 1
13 1 6 THR MG 1 7 ARG H . . 5.500 3.985 2.930 4.323 . 0 0 "[ . 1 . 2]" 1
14 1 6 THR MG 1 60 LYS QD . . 3.820 2.461 1.920 3.825 0.005 17 0 "[ . 1 . 2]" 1
15 1 6 THR MG 1 60 LYS HG2 . . 4.810 3.046 1.987 4.578 . 0 0 "[ . 1 . 2]" 1
16 1 6 THR MG 1 60 LYS QG . . 4.070 2.686 1.970 3.943 . 0 0 "[ . 1 . 2]" 1
17 1 6 THR MG 1 60 LYS HG3 . . 4.810 3.169 2.405 4.810 . 0 0 "[ . 1 . 2]" 1
18 1 7 ARG H 1 7 ARG QD . . 5.090 3.298 1.943 4.403 . 0 0 "[ . 1 . 2]" 1
19 1 7 ARG H 1 7 ARG QG . . 3.830 2.226 1.936 3.459 . 0 0 "[ . 1 . 2]" 1
20 1 7 ARG HA 1 7 ARG QD . . 3.640 2.759 2.061 3.645 0.005 2 0 "[ . 1 . 2]" 1
21 1 7 ARG HA 1 7 ARG QG . . 3.490 2.911 2.290 3.432 . 0 0 "[ . 1 . 2]" 1
22 1 7 ARG HA 1 8 ASP H . . 3.250 2.302 2.155 2.595 . 0 0 "[ . 1 . 2]" 1
23 1 7 ARG HA 1 8 ASP HA . . 4.410 4.334 4.311 4.376 . 0 0 "[ . 1 . 2]" 1
24 1 7 ARG HA 1 8 ASP QB . . 4.360 4.236 4.031 4.342 . 0 0 "[ . 1 . 2]" 1
25 1 7 ARG QB 1 8 ASP HA . . 5.010 4.462 4.185 4.814 . 0 0 "[ . 1 . 2]" 1
26 1 8 ASP H 1 8 ASP QB . . 3.480 2.374 2.194 2.691 . 0 0 "[ . 1 . 2]" 1
27 1 8 ASP HA 1 9 PHE H . . 3.050 2.363 2.159 2.490 . 0 0 "[ . 1 . 2]" 1
28 1 8 ASP HA 1 9 PHE QD . . 4.040 3.840 3.600 4.031 . 0 0 "[ . 1 . 2]" 1
29 1 8 ASP HA 1 44 LEU MD1 . . 4.540 4.228 3.302 4.540 . 0 0 "[ . 1 . 2]" 1
30 1 8 ASP HA 1 44 LEU MD2 . . 4.360 3.851 2.818 4.195 . 0 0 "[ . 1 . 2]" 1
31 1 8 ASP HA 1 59 PRO QG . . 5.240 3.827 3.421 4.176 . 0 0 "[ . 1 . 2]" 1
32 1 8 ASP QB 1 9 PHE H . . 3.950 2.776 2.266 3.474 . 0 0 "[ . 1 . 2]" 1
33 1 9 PHE H 1 9 PHE HB2 . . 2.900 2.334 2.209 2.447 . 0 0 "[ . 1 . 2]" 1
34 1 9 PHE H 1 9 PHE HB3 . . 3.870 3.542 3.490 3.607 . 0 0 "[ . 1 . 2]" 1
35 1 9 PHE H 1 9 PHE QD . . 3.800 3.198 2.514 3.448 . 0 0 "[ . 1 . 2]" 1
36 1 9 PHE H 1 10 LYS H . . 4.580 4.471 4.434 4.535 . 0 0 "[ . 1 . 2]" 1
37 1 9 PHE H 1 29 VAL MG1 . . 4.950 4.379 3.781 4.657 . 0 0 "[ . 1 . 2]" 1
38 1 9 PHE H 1 44 LEU MD1 . . 3.760 3.351 2.786 3.593 . 0 0 "[ . 1 . 2]" 1
39 1 9 PHE H 1 44 LEU MD2 . . 4.130 3.976 3.611 4.131 0.001 5 0 "[ . 1 . 2]" 1
40 1 9 PHE HA 1 9 PHE QD . . 3.530 2.878 2.780 3.028 . 0 0 "[ . 1 . 2]" 1
41 1 9 PHE HA 1 9 PHE QE . . 4.600 4.456 4.418 4.532 . 0 0 "[ . 1 . 2]" 1
42 1 9 PHE HA 1 10 LYS H . . 2.850 2.576 2.524 2.605 . 0 0 "[ . 1 . 2]" 1
43 1 9 PHE HA 1 29 VAL MG1 . . 5.360 5.143 4.717 5.335 . 0 0 "[ . 1 . 2]" 1
44 1 9 PHE HB2 1 15 ILE MG . . 5.130 4.643 4.264 4.876 . 0 0 "[ . 1 . 2]" 1
45 1 9 PHE HB2 1 29 VAL MG1 . . 4.020 3.112 2.674 3.435 . 0 0 "[ . 1 . 2]" 1
46 1 9 PHE HB2 1 29 VAL MG2 . . 3.590 3.083 2.713 3.431 . 0 0 "[ . 1 . 2]" 1
47 1 9 PHE HB2 1 44 LEU MD1 . . 3.590 2.775 2.657 2.851 . 0 0 "[ . 1 . 2]" 1
48 1 9 PHE HB2 1 44 LEU MD2 . . 4.450 4.377 4.179 4.455 0.005 17 0 "[ . 1 . 2]" 1
49 1 9 PHE HB3 1 10 LYS H . . 3.340 2.107 2.021 2.196 . 0 0 "[ . 1 . 2]" 1
50 1 9 PHE HB3 1 29 VAL HB . . 4.400 4.080 3.835 4.367 . 0 0 "[ . 1 . 2]" 1
51 1 9 PHE HB3 1 44 LEU MD1 . . 4.010 3.985 3.811 4.016 0.006 15 0 "[ . 1 . 2]" 1
52 1 9 PHE QD 1 10 LYS H . . 3.320 2.760 2.581 3.020 . 0 0 "[ . 1 . 2]" 1
53 1 9 PHE QD 1 13 ASP H . . 5.500 5.487 5.440 5.506 0.006 20 0 "[ . 1 . 2]" 1
54 1 9 PHE QD 1 15 ILE MG . . 3.890 3.103 2.863 3.244 . 0 0 "[ . 1 . 2]" 1
55 1 9 PHE QD 1 29 VAL MG1 . . 4.800 4.498 4.259 4.785 . 0 0 "[ . 1 . 2]" 1
56 1 9 PHE QD 1 29 VAL MG2 . . 3.950 3.708 3.532 3.846 . 0 0 "[ . 1 . 2]" 1
57 1 9 PHE QD 1 44 LEU MD1 . . 3.140 3.050 2.930 3.128 . 0 0 "[ . 1 . 2]" 1
58 1 9 PHE QD 1 44 LEU MD2 . . 4.150 4.092 3.779 4.157 0.007 14 0 "[ . 1 . 2]" 1
59 1 9 PHE QD 1 59 PRO HB3 . . 4.290 3.393 2.859 3.789 . 0 0 "[ . 1 . 2]" 1
60 1 9 PHE QD 1 62 ILE MD . . 4.300 2.041 1.885 2.420 . 0 0 "[ . 1 . 2]" 1
61 1 9 PHE QE 1 13 ASP HB3 . . 5.500 4.129 3.929 4.621 . 0 0 "[ . 1 . 2]" 1
62 1 9 PHE QE 1 15 ILE HB . . 5.450 4.487 4.403 4.570 . 0 0 "[ . 1 . 2]" 1
63 1 9 PHE QE 1 15 ILE HG12 . . 5.050 4.613 4.459 4.738 . 0 0 "[ . 1 . 2]" 1
64 1 9 PHE QE 1 15 ILE MG . . 3.640 2.550 2.322 2.623 . 0 0 "[ . 1 . 2]" 1
65 1 9 PHE QE 1 44 LEU MD1 . . 5.420 4.687 4.474 4.831 . 0 0 "[ . 1 . 2]" 1
66 1 9 PHE QE 1 59 PRO HA . . 4.420 3.654 3.143 3.923 . 0 0 "[ . 1 . 2]" 1
67 1 9 PHE QE 1 59 PRO HB3 . . 5.500 4.229 3.419 4.584 . 0 0 "[ . 1 . 2]" 1
68 1 9 PHE QE 1 62 ILE H . . 5.500 5.046 4.833 5.165 . 0 0 "[ . 1 . 2]" 1
69 1 9 PHE QE 1 62 ILE MG . . 5.200 5.044 4.911 5.162 . 0 0 "[ . 1 . 2]" 1
70 1 9 PHE QE 1 64 PRO HB2 . . 5.500 5.461 5.225 5.506 0.006 6 0 "[ . 1 . 2]" 1
71 1 9 PHE QE 1 64 PRO HB3 . . 4.480 3.989 3.725 4.086 . 0 0 "[ . 1 . 2]" 1
72 1 10 LYS H 1 13 ASP H . . 4.880 4.769 4.471 4.886 0.006 15 0 "[ . 1 . 2]" 1
73 1 10 LYS H 1 13 ASP HA . . 5.500 5.473 5.373 5.516 0.016 8 0 "[ . 1 . 2]" 1
74 1 10 LYS H 1 13 ASP HB2 . . 3.160 3.025 2.861 3.153 . 0 0 "[ . 1 . 2]" 1
75 1 10 LYS H 1 29 VAL HB . . 5.500 4.750 4.576 4.948 . 0 0 "[ . 1 . 2]" 1
76 1 10 LYS H 1 29 VAL MG2 . . 4.300 4.219 3.954 4.307 0.007 6 0 "[ . 1 . 2]" 1
77 1 11 PRO HA 1 13 ASP H . . 3.850 3.676 3.511 3.844 . 0 0 "[ . 1 . 2]" 1
78 1 11 PRO HA 1 13 ASP HB2 . . 4.980 4.788 4.660 4.920 . 0 0 "[ . 1 . 2]" 1
79 1 11 PRO HA 1 29 VAL MG1 . . 3.020 2.606 2.077 2.945 . 0 0 "[ . 1 . 2]" 1
80 1 12 GLY H 1 13 ASP H . . 4.080 2.288 2.156 2.426 . 0 0 "[ . 1 . 2]" 1
81 1 12 GLY H 1 29 VAL HB . . 3.610 2.542 2.085 2.862 . 0 0 "[ . 1 . 2]" 1
82 1 12 GLY H 1 29 VAL MG1 . . 3.870 3.403 3.187 3.711 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLY QA 1 13 ASP H . . 3.080 2.843 2.782 2.917 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLY QA 1 13 ASP HB2 . . 5.340 4.705 4.643 4.769 . 0 0 "[ . 1 . 2]" 1
85 1 12 GLY QA 1 28 ARG QG . . 4.860 3.166 1.993 4.866 0.006 14 0 "[ . 1 . 2]" 1
86 1 13 ASP H 1 13 ASP HB2 . . 3.180 2.238 2.138 2.443 . 0 0 "[ . 1 . 2]" 1
87 1 13 ASP H 1 13 ASP HB3 . . 3.640 3.352 2.844 3.490 . 0 0 "[ . 1 . 2]" 1
88 1 13 ASP H 1 14 LEU H . . 4.630 4.550 4.494 4.593 . 0 0 "[ . 1 . 2]" 1
89 1 13 ASP H 1 15 ILE MG . . 5.500 5.021 4.916 5.143 . 0 0 "[ . 1 . 2]" 1
90 1 13 ASP H 1 29 VAL HA . . 5.360 4.954 4.713 5.367 0.007 14 0 "[ . 1 . 2]" 1
91 1 13 ASP H 1 29 VAL HB . . 3.030 2.344 2.250 2.553 . 0 0 "[ . 1 . 2]" 1
92 1 13 ASP H 1 29 VAL MG1 . . 3.890 3.880 3.712 3.906 0.016 14 0 "[ . 1 . 2]" 1
93 1 13 ASP H 1 29 VAL MG2 . . 3.330 3.134 2.891 3.324 . 0 0 "[ . 1 . 2]" 1
94 1 13 ASP HA 1 14 LEU H . . 3.010 2.204 2.167 2.235 . 0 0 "[ . 1 . 2]" 1
95 1 13 ASP HA 1 14 LEU QD . . 3.930 2.820 2.669 3.244 . 0 0 "[ . 1 . 2]" 1
96 1 13 ASP HA 1 29 VAL MG2 . . 4.740 4.599 4.441 4.742 0.002 2 0 "[ . 1 . 2]" 1
97 1 13 ASP HB2 1 14 LEU H . . 4.360 4.290 4.213 4.372 0.012 9 0 "[ . 1 . 2]" 1
98 1 13 ASP HB2 1 15 ILE MG . . 5.380 3.836 3.630 4.315 . 0 0 "[ . 1 . 2]" 1
99 1 13 ASP HB2 1 29 VAL H . . 5.060 4.351 3.884 4.998 . 0 0 "[ . 1 . 2]" 1
100 1 13 ASP HB2 1 29 VAL HB . . 4.180 3.103 2.796 3.764 . 0 0 "[ . 1 . 2]" 1
101 1 13 ASP HB2 1 29 VAL MG2 . . 3.780 2.825 2.415 3.706 . 0 0 "[ . 1 . 2]" 1
102 1 13 ASP HB3 1 14 LEU H . . 3.790 3.250 3.022 3.730 . 0 0 "[ . 1 . 2]" 1
103 1 13 ASP HB3 1 14 LEU QD . . 5.390 4.372 4.131 4.900 . 0 0 "[ . 1 . 2]" 1
104 1 13 ASP HB3 1 15 ILE MD . . 5.500 5.402 5.142 5.506 0.006 14 0 "[ . 1 . 2]" 1
105 1 13 ASP HB3 1 15 ILE MG . . 3.640 2.600 2.490 2.824 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU H 1 14 LEU HB2 . . 3.080 2.458 2.289 2.723 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU H 1 14 LEU MD1 . . 4.640 2.959 2.059 3.777 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU H 1 14 LEU QD . . 3.230 1.995 1.918 2.515 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU H 1 14 LEU MD2 . . 4.640 2.302 1.935 4.002 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU H 1 15 ILE MG . . 5.260 3.867 3.777 4.040 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 88 ILE MD . . 5.500 5.503 5.170 5.583 0.083 17 0 "[ . 1 . 2]" 1
112 1 14 LEU HA 1 14 LEU QD . . 3.430 2.122 1.918 2.824 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU HA 1 14 LEU HG . . 3.870 3.498 2.434 3.698 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU HA 1 15 ILE H . . 3.160 2.147 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU HA 1 15 ILE MD . . 5.480 5.077 4.954 5.187 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU HA 1 15 ILE MG . . 4.320 3.968 3.918 4.086 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU HA 1 28 ARG HA . . 3.820 3.355 2.680 3.801 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 29 VAL H . . 4.700 4.637 4.295 4.722 0.022 8 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 88 ILE MD . . 3.820 3.521 3.283 3.617 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU HB2 1 15 ILE H . . 4.440 4.342 4.224 4.432 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU HB2 1 65 TYR H . . 4.780 4.615 4.346 4.782 0.002 11 0 "[ . 1 . 2]" 1
122 1 14 LEU HB2 1 65 TYR QB . . 4.820 3.684 3.085 4.004 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU HB2 1 65 TYR QD . . 3.440 2.732 2.530 3.050 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HB2 1 88 ILE MD . . 4.150 4.098 3.479 4.216 0.066 9 0 "[ . 1 . 2]" 1
125 1 14 LEU HB2 1 88 ILE MG . . 5.500 5.192 4.229 5.492 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU HB3 1 15 ILE H . . 4.560 3.601 3.456 3.721 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU HB3 1 65 TYR H . . 5.500 4.621 4.209 5.143 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU HB3 1 65 TYR QD . . 4.620 3.153 2.763 3.773 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU HB3 1 88 ILE MD . . 3.900 2.547 1.978 2.698 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU QD 1 65 TYR QD . . 4.610 3.829 3.203 4.186 . 0 0 "[ . 1 . 2]" 1
131 1 14 LEU QD 1 65 TYR QE . . 5.440 3.361 2.753 3.925 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU QD 1 88 ILE MD . . 3.920 2.788 2.457 2.988 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU QD 1 88 ILE MG . . 4.090 3.316 1.913 3.844 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU QD 1 89 ASP HA . . 4.970 3.340 1.931 4.229 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU QD 1 90 ASN H . . 5.180 4.695 4.384 5.058 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU QD 1 92 PRO HA . . 4.390 3.644 3.032 4.461 0.071 9 0 "[ . 1 . 2]" 1
137 1 14 LEU QD 1 92 PRO HB2 . . 3.920 3.153 2.544 3.930 0.010 14 0 "[ . 1 . 2]" 1
138 1 14 LEU QD 1 92 PRO HB3 . . 2.990 2.314 1.890 2.993 0.003 2 0 "[ . 1 . 2]" 1
139 1 14 LEU MD1 1 65 TYR QD . . 5.320 4.668 3.720 5.083 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU MD2 1 65 TYR QD . . 5.320 4.130 3.286 5.055 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU HG 1 88 ILE MG . . 4.490 3.846 3.564 4.620 0.130 14 0 "[ . 1 . 2]" 1
142 1 15 ILE H 1 15 ILE MD . . 4.000 3.422 3.248 3.568 . 0 0 "[ . 1 . 2]" 1
143 1 15 ILE H 1 15 ILE HG12 . . 3.810 3.769 3.630 3.820 0.010 11 0 "[ . 1 . 2]" 1
144 1 15 ILE H 1 15 ILE HG13 . . 3.360 2.180 2.005 2.223 . 0 0 "[ . 1 . 2]" 1
145 1 15 ILE H 1 15 ILE MG . . 3.280 3.191 3.112 3.241 . 0 0 "[ . 1 . 2]" 1
146 1 15 ILE H 1 27 ALA H . . 4.040 3.555 3.270 3.696 . 0 0 "[ . 1 . 2]" 1
147 1 15 ILE H 1 28 ARG HA . . 3.860 3.506 2.932 3.877 0.017 20 0 "[ . 1 . 2]" 1
148 1 15 ILE H 1 29 VAL H . . 5.300 4.840 4.564 5.099 . 0 0 "[ . 1 . 2]" 1
149 1 15 ILE H 1 29 VAL MG2 . . 4.500 4.083 3.733 4.363 . 0 0 "[ . 1 . 2]" 1
150 1 15 ILE H 1 46 ILE MG . . 5.500 5.445 5.211 5.509 0.009 9 0 "[ . 1 . 2]" 1
151 1 15 ILE H 1 65 TYR H . . 5.500 4.569 4.451 4.740 . 0 0 "[ . 1 . 2]" 1
152 1 15 ILE H 1 88 ILE MD . . 3.820 3.689 3.549 3.827 0.007 17 0 "[ . 1 . 2]" 1
153 1 15 ILE HA 1 15 ILE MD . . 4.450 3.642 3.622 3.700 . 0 0 "[ . 1 . 2]" 1
154 1 15 ILE HA 1 15 ILE HG12 . . 4.210 4.201 4.176 4.208 . 0 0 "[ . 1 . 2]" 1
155 1 15 ILE HA 1 15 ILE MG . . 3.240 2.235 2.186 2.278 . 0 0 "[ . 1 . 2]" 1
156 1 15 ILE HA 1 16 PHE H . . 3.130 2.224 2.203 2.271 . 0 0 "[ . 1 . 2]" 1
157 1 15 ILE HA 1 64 PRO HA . . 3.500 2.876 2.785 2.973 . 0 0 "[ . 1 . 2]" 1
158 1 15 ILE HA 1 65 TYR H . . 3.570 2.027 1.955 2.134 . 0 0 "[ . 1 . 2]" 1
159 1 15 ILE HA 1 65 TYR HA . . 3.950 3.731 3.675 3.848 . 0 0 "[ . 1 . 2]" 1
160 1 15 ILE HA 1 65 TYR QB . . 4.490 2.382 2.291 2.464 . 0 0 "[ . 1 . 2]" 1
161 1 15 ILE HA 1 65 TYR QD . . 4.440 3.730 3.396 4.031 . 0 0 "[ . 1 . 2]" 1
162 1 15 ILE HA 1 88 ILE MD . . 4.940 4.728 4.619 4.843 . 0 0 "[ . 1 . 2]" 1
163 1 15 ILE HB 1 15 ILE MD . . 3.690 2.151 2.089 2.178 . 0 0 "[ . 1 . 2]" 1
164 1 15 ILE HB 1 16 PHE H . . 3.090 2.880 2.720 2.956 . 0 0 "[ . 1 . 2]" 1
165 1 15 ILE HB 1 16 PHE HA . . 5.210 4.811 4.738 4.844 . 0 0 "[ . 1 . 2]" 1
166 1 15 ILE HB 1 17 ALA H . . 5.500 5.365 5.309 5.434 . 0 0 "[ . 1 . 2]" 1
167 1 15 ILE HB 1 17 ALA MB . . 5.500 5.439 5.363 5.519 0.019 15 0 "[ . 1 . 2]" 1
168 1 15 ILE HB 1 62 ILE HB . . 4.440 3.004 2.830 3.054 . 0 0 "[ . 1 . 2]" 1
169 1 15 ILE HB 1 62 ILE MG . . 4.270 4.252 4.099 4.284 0.014 13 0 "[ . 1 . 2]" 1
170 1 15 ILE HB 1 63 PHE H . . 3.840 3.713 3.668 3.752 . 0 0 "[ . 1 . 2]" 1
171 1 15 ILE HB 1 65 TYR H . . 5.000 4.042 3.927 4.139 . 0 0 "[ . 1 . 2]" 1
172 1 15 ILE MD 1 16 PHE H . . 4.250 3.425 3.271 3.521 . 0 0 "[ . 1 . 2]" 1
173 1 15 ILE MD 1 16 PHE HA . . 4.380 3.726 3.596 3.833 . 0 0 "[ . 1 . 2]" 1
174 1 15 ILE MD 1 16 PHE HB3 . . 5.500 5.026 4.927 5.091 . 0 0 "[ . 1 . 2]" 1
175 1 15 ILE MD 1 17 ALA H . . 5.120 3.344 3.262 3.518 . 0 0 "[ . 1 . 2]" 1
176 1 15 ILE MD 1 17 ALA HA . . 4.090 3.011 2.946 3.058 . 0 0 "[ . 1 . 2]" 1
177 1 15 ILE MD 1 17 ALA MB . . 3.270 2.935 2.846 3.023 . 0 0 "[ . 1 . 2]" 1
178 1 15 ILE MD 1 27 ALA H . . 4.750 3.895 3.757 4.162 . 0 0 "[ . 1 . 2]" 1
179 1 15 ILE MD 1 27 ALA HA . . 5.500 5.346 5.250 5.500 . 0 0 "[ . 1 . 2]" 1
180 1 15 ILE MD 1 28 ARG H . . 4.760 4.728 4.591 4.776 0.016 17 0 "[ . 1 . 2]" 1
181 1 15 ILE MD 1 28 ARG HA . . 4.740 4.394 4.140 4.579 . 0 0 "[ . 1 . 2]" 1
182 1 15 ILE MD 1 29 VAL H . . 5.110 4.788 4.448 5.129 0.019 14 0 "[ . 1 . 2]" 1
183 1 15 ILE MD 1 29 VAL HA . . 4.550 4.473 4.339 4.561 0.011 8 0 "[ . 1 . 2]" 1
184 1 15 ILE MD 1 29 VAL HB . . 5.500 5.296 5.067 5.508 0.008 8 0 "[ . 1 . 2]" 1
185 1 15 ILE MD 1 44 LEU HG . . 5.500 5.377 5.201 5.498 . 0 0 "[ . 1 . 2]" 1
186 1 15 ILE MD 1 46 ILE HA . . 4.670 4.434 4.282 4.570 . 0 0 "[ . 1 . 2]" 1
187 1 15 ILE MD 1 46 ILE MD . . 3.320 2.565 2.378 2.720 . 0 0 "[ . 1 . 2]" 1
188 1 15 ILE MD 1 46 ILE MG . . 3.400 2.526 2.471 2.594 . 0 0 "[ . 1 . 2]" 1
189 1 15 ILE MD 1 47 PHE H . . 5.500 5.483 5.368 5.513 0.013 19 0 "[ . 1 . 2]" 1
190 1 15 ILE MD 1 62 ILE H . . 5.360 4.967 4.845 5.075 . 0 0 "[ . 1 . 2]" 1
191 1 15 ILE MD 1 62 ILE HB . . 3.770 2.013 1.897 2.141 . 0 0 "[ . 1 . 2]" 1
192 1 15 ILE MD 1 62 ILE MD . . 3.650 2.402 2.172 2.607 . 0 0 "[ . 1 . 2]" 1
193 1 15 ILE MD 1 62 ILE MG . . 3.290 2.058 1.928 2.233 . 0 0 "[ . 1 . 2]" 1
194 1 15 ILE MD 1 63 PHE H . . 4.060 3.578 3.504 3.690 . 0 0 "[ . 1 . 2]" 1
195 1 15 ILE HG13 1 17 ALA MB . . 5.300 5.034 4.908 5.156 . 0 0 "[ . 1 . 2]" 1
196 1 15 ILE HG13 1 28 ARG HA . . 5.360 3.737 3.272 4.079 . 0 0 "[ . 1 . 2]" 1
197 1 15 ILE HG13 1 46 ILE MG . . 4.370 4.361 4.295 4.383 0.013 8 0 "[ . 1 . 2]" 1
198 1 15 ILE MG 1 16 PHE H . . 3.930 3.779 3.712 3.809 . 0 0 "[ . 1 . 2]" 1
199 1 15 ILE MG 1 29 VAL HB . . 5.320 5.114 4.924 5.273 . 0 0 "[ . 1 . 2]" 1
200 1 15 ILE MG 1 29 VAL MG2 . . 3.100 3.076 2.961 3.128 0.028 18 0 "[ . 1 . 2]" 1
201 1 15 ILE MG 1 62 ILE HB . . 4.070 3.935 3.800 4.010 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE MG 1 62 ILE MD . . 3.720 3.283 3.195 3.402 . 0 0 "[ . 1 . 2]" 1
203 1 15 ILE MG 1 63 PHE H . . 4.990 4.895 4.819 4.937 . 0 0 "[ . 1 . 2]" 1
204 1 15 ILE MG 1 64 PRO HA . . 3.660 2.264 2.197 2.343 . 0 0 "[ . 1 . 2]" 1
205 1 15 ILE MG 1 64 PRO HB2 . . 4.480 4.470 4.375 4.503 0.023 7 0 "[ . 1 . 2]" 1
206 1 15 ILE MG 1 64 PRO HB3 . . 4.150 3.727 3.617 3.764 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE MG 1 65 TYR H . . 3.600 2.852 2.793 2.897 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE MG 1 65 TYR HA . . 5.110 5.138 5.117 5.162 0.052 13 0 "[ . 1 . 2]" 1
209 1 16 PHE H 1 16 PHE HB3 . . 3.510 3.477 3.460 3.492 . 0 0 "[ . 1 . 2]" 1
210 1 16 PHE H 1 16 PHE QD . . 3.640 2.637 2.584 2.722 . 0 0 "[ . 1 . 2]" 1
211 1 16 PHE H 1 17 ALA H . . 5.500 4.399 4.377 4.425 . 0 0 "[ . 1 . 2]" 1
212 1 16 PHE H 1 17 ALA MB . . 5.500 5.504 5.479 5.529 0.029 2 0 "[ . 1 . 2]" 1
213 1 16 PHE H 1 62 ILE HA . . 5.500 5.489 5.394 5.513 0.013 18 0 "[ . 1 . 2]" 1
214 1 16 PHE H 1 62 ILE HB . . 5.500 4.943 4.798 5.032 . 0 0 "[ . 1 . 2]" 1
215 1 16 PHE H 1 63 PHE H . . 3.960 3.771 3.671 3.835 . 0 0 "[ . 1 . 2]" 1
216 1 16 PHE H 1 63 PHE HB2 . . 4.760 4.566 4.495 4.670 . 0 0 "[ . 1 . 2]" 1
217 1 16 PHE H 1 63 PHE HB3 . . 5.500 4.556 4.493 4.668 . 0 0 "[ . 1 . 2]" 1
218 1 16 PHE H 1 64 PRO HA . . 5.500 3.730 3.674 3.810 . 0 0 "[ . 1 . 2]" 1
219 1 16 PHE H 1 65 TYR H . . 4.700 3.185 3.024 3.262 . 0 0 "[ . 1 . 2]" 1
220 1 16 PHE H 1 65 TYR HA . . 4.560 3.179 3.113 3.267 . 0 0 "[ . 1 . 2]" 1
221 1 16 PHE HA 1 16 PHE QD . . 3.790 2.706 2.353 2.815 . 0 0 "[ . 1 . 2]" 1
222 1 16 PHE HA 1 16 PHE QE . . 4.540 4.387 4.258 4.422 . 0 0 "[ . 1 . 2]" 1
223 1 16 PHE HA 1 17 ALA H . . 3.440 2.143 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
224 1 16 PHE HA 1 17 ALA MB . . 4.180 3.940 3.929 3.984 . 0 0 "[ . 1 . 2]" 1
225 1 16 PHE HA 1 24 HIS HB3 . . 5.500 4.630 4.391 4.837 . 0 0 "[ . 1 . 2]" 1
226 1 16 PHE HA 1 25 TRP H . . 4.230 3.691 3.610 3.760 . 0 0 "[ . 1 . 2]" 1
227 1 16 PHE HA 1 26 PRO HA . . 3.930 2.477 2.405 2.591 . 0 0 "[ . 1 . 2]" 1
228 1 16 PHE HA 1 27 ALA H . . 3.830 2.866 2.751 3.004 . 0 0 "[ . 1 . 2]" 1
229 1 16 PHE HA 1 27 ALA MB . . 3.990 3.985 3.873 4.028 0.038 13 0 "[ . 1 . 2]" 1
230 1 16 PHE HA 1 88 ILE MD . . 4.630 4.536 4.471 4.613 . 0 0 "[ . 1 . 2]" 1
231 1 16 PHE HB3 1 17 ALA H . . 3.770 3.675 3.619 3.717 . 0 0 "[ . 1 . 2]" 1
232 1 16 PHE HB3 1 17 ALA HA . . 4.870 4.780 4.767 4.800 . 0 0 "[ . 1 . 2]" 1
233 1 16 PHE HB3 1 24 HIS HB2 . . 4.270 3.719 3.553 3.907 . 0 0 "[ . 1 . 2]" 1
234 1 16 PHE HB3 1 24 HIS HB3 . . 4.080 2.204 2.043 2.409 . 0 0 "[ . 1 . 2]" 1
235 1 16 PHE HB3 1 25 TRP H . . 3.840 3.020 2.871 3.183 . 0 0 "[ . 1 . 2]" 1
236 1 16 PHE HB3 1 26 PRO HA . . 4.730 4.584 4.512 4.732 0.002 13 0 "[ . 1 . 2]" 1
237 1 16 PHE HB3 1 63 PHE H . . 5.160 4.365 4.215 4.460 . 0 0 "[ . 1 . 2]" 1
238 1 16 PHE HB3 1 63 PHE HB3 . . 5.500 5.130 5.061 5.266 . 0 0 "[ . 1 . 2]" 1
239 1 16 PHE QD 1 17 ALA H . . 4.570 4.431 4.293 4.472 . 0 0 "[ . 1 . 2]" 1
240 1 16 PHE QD 1 24 HIS HA . . 4.540 3.826 3.655 4.148 . 0 0 "[ . 1 . 2]" 1
241 1 16 PHE QD 1 24 HIS HB2 . . 4.470 2.325 2.212 2.479 . 0 0 "[ . 1 . 2]" 1
242 1 16 PHE QD 1 24 HIS HB3 . . 4.480 2.047 1.954 2.200 . 0 0 "[ . 1 . 2]" 1
243 1 16 PHE QD 1 25 TRP H . . 5.340 3.142 2.892 3.693 . 0 0 "[ . 1 . 2]" 1
244 1 16 PHE QD 1 26 PRO HA . . 4.380 2.920 2.541 3.035 . 0 0 "[ . 1 . 2]" 1
245 1 16 PHE QD 1 26 PRO HB3 . . 4.360 3.662 3.535 3.750 . 0 0 "[ . 1 . 2]" 1
246 1 16 PHE QD 1 65 TYR H . . 5.500 3.815 3.738 4.097 . 0 0 "[ . 1 . 2]" 1
247 1 16 PHE QD 1 65 TYR HA . . 3.550 2.255 2.026 2.947 . 0 0 "[ . 1 . 2]" 1
248 1 16 PHE QD 1 68 ASN QB . . 4.050 2.805 2.686 3.059 . 0 0 "[ . 1 . 2]" 1
249 1 16 PHE QD 1 72 TYR QE . . 5.340 5.366 5.356 5.394 0.054 15 0 "[ . 1 . 2]" 1
250 1 16 PHE QE 1 27 ALA H . . 5.480 5.096 4.795 5.272 . 0 0 "[ . 1 . 2]" 1
251 1 16 PHE QE 1 88 ILE MD . . 3.910 3.033 2.830 3.527 . 0 0 "[ . 1 . 2]" 1
252 1 17 ALA H 1 17 ALA MB . . 3.640 2.098 2.073 2.240 . 0 0 "[ . 1 . 2]" 1
253 1 17 ALA H 1 18 LYS H . . 5.500 4.543 4.501 4.590 . 0 0 "[ . 1 . 2]" 1
254 1 17 ALA H 1 24 HIS HA . . 5.390 5.074 4.929 5.188 . 0 0 "[ . 1 . 2]" 1
255 1 17 ALA H 1 24 HIS HB3 . . 5.500 5.151 4.841 5.354 . 0 0 "[ . 1 . 2]" 1
256 1 17 ALA H 1 25 TRP H . . 3.830 3.283 3.100 3.393 . 0 0 "[ . 1 . 2]" 1
257 1 17 ALA H 1 26 PRO HA . . 4.590 3.815 3.751 3.909 . 0 0 "[ . 1 . 2]" 1
258 1 17 ALA H 1 27 ALA H . . 3.890 3.269 3.120 3.439 . 0 0 "[ . 1 . 2]" 1
259 1 17 ALA H 1 27 ALA MB . . 3.730 2.897 2.812 3.011 . 0 0 "[ . 1 . 2]" 1
260 1 17 ALA H 1 62 ILE MG . . 5.500 4.510 4.373 4.614 . 0 0 "[ . 1 . 2]" 1
261 1 17 ALA HA 1 18 LYS H . . 3.150 2.166 2.145 2.211 . 0 0 "[ . 1 . 2]" 1
262 1 17 ALA HA 1 18 LYS HA . . 4.570 4.390 4.386 4.396 . 0 0 "[ . 1 . 2]" 1
263 1 17 ALA HA 1 18 LYS QB . . 4.430 4.030 3.973 4.063 . 0 0 "[ . 1 . 2]" 1
264 1 17 ALA HA 1 27 ALA MB . . 4.550 4.413 4.272 4.555 0.005 14 0 "[ . 1 . 2]" 1
265 1 17 ALA HA 1 46 ILE MG . . 4.090 3.510 3.311 3.663 . 0 0 "[ . 1 . 2]" 1
266 1 17 ALA HA 1 57 LEU MD1 . . 3.710 3.288 3.080 3.440 . 0 0 "[ . 1 . 2]" 1
267 1 17 ALA HA 1 62 ILE H . . 5.470 5.415 5.322 5.473 0.003 18 0 "[ . 1 . 2]" 1
268 1 17 ALA HA 1 62 ILE HA . . 3.540 2.934 2.826 3.040 . 0 0 "[ . 1 . 2]" 1
269 1 17 ALA HA 1 62 ILE HB . . 4.270 3.662 3.532 3.776 . 0 0 "[ . 1 . 2]" 1
270 1 17 ALA HA 1 62 ILE MG . . 3.530 2.362 2.158 2.589 . 0 0 "[ . 1 . 2]" 1
271 1 17 ALA HA 1 63 PHE H . . 4.020 3.843 3.741 3.992 . 0 0 "[ . 1 . 2]" 1
272 1 17 ALA MB 1 18 LYS H . . 3.250 3.090 2.938 3.194 . 0 0 "[ . 1 . 2]" 1
273 1 17 ALA MB 1 19 MET H . . 4.690 4.289 4.236 4.401 . 0 0 "[ . 1 . 2]" 1
274 1 17 ALA MB 1 24 HIS HA . . 5.150 5.083 4.853 5.191 0.041 3 0 "[ . 1 . 2]" 1
275 1 17 ALA MB 1 25 TRP H . . 4.270 4.042 3.864 4.140 . 0 0 "[ . 1 . 2]" 1
276 1 17 ALA MB 1 27 ALA H . . 4.470 4.010 3.867 4.199 . 0 0 "[ . 1 . 2]" 1
277 1 17 ALA MB 1 27 ALA MB . . 3.140 2.186 2.100 2.328 . 0 0 "[ . 1 . 2]" 1
278 1 17 ALA MB 1 46 ILE HB . . 4.090 3.387 3.285 3.486 . 0 0 "[ . 1 . 2]" 1
279 1 17 ALA MB 1 46 ILE MD . . 3.690 3.509 3.424 3.636 . 0 0 "[ . 1 . 2]" 1
280 1 17 ALA MB 1 46 ILE MG . . 3.010 1.798 1.776 1.826 . 0 0 "[ . 1 . 2]" 1
281 1 17 ALA MB 1 48 PHE HA . . 4.460 4.319 4.252 4.400 . 0 0 "[ . 1 . 2]" 1
282 1 17 ALA MB 1 48 PHE QD . . 4.020 3.577 3.280 3.963 . 0 0 "[ . 1 . 2]" 1
283 1 17 ALA MB 1 49 PHE H . . 5.500 5.509 5.408 5.569 0.069 8 0 "[ . 1 . 2]" 1
284 1 17 ALA MB 1 62 ILE HB . . 4.690 4.479 4.303 4.663 . 0 0 "[ . 1 . 2]" 1
285 1 17 ALA MB 1 62 ILE MG . . 3.380 2.728 2.567 2.975 . 0 0 "[ . 1 . 2]" 1
286 1 18 LYS H 1 18 LYS HB2 . . 3.570 2.977 2.352 3.147 . 0 0 "[ . 1 . 2]" 1
287 1 18 LYS H 1 18 LYS HB3 . . 3.570 2.587 2.420 3.379 . 0 0 "[ . 1 . 2]" 1
288 1 18 LYS H 1 18 LYS QD . . 5.340 4.442 4.351 4.585 . 0 0 "[ . 1 . 2]" 1
289 1 18 LYS H 1 19 MET H . . 5.500 4.158 4.120 4.189 . 0 0 "[ . 1 . 2]" 1
290 1 18 LYS H 1 46 ILE MG . . 5.500 4.843 4.660 5.002 . 0 0 "[ . 1 . 2]" 1
291 1 18 LYS H 1 57 LEU HB3 . . 5.360 4.641 4.402 4.998 . 0 0 "[ . 1 . 2]" 1
292 1 18 LYS H 1 57 LEU MD1 . . 4.260 2.630 2.363 2.888 . 0 0 "[ . 1 . 2]" 1
293 1 18 LYS H 1 61 ASP QB . . 3.840 3.827 3.705 3.863 0.023 4 0 "[ . 1 . 2]" 1
294 1 18 LYS H 1 62 ILE HA . . 3.720 3.003 2.779 3.200 . 0 0 "[ . 1 . 2]" 1
295 1 18 LYS H 1 62 ILE MG . . 4.200 2.974 2.784 3.188 . 0 0 "[ . 1 . 2]" 1
296 1 18 LYS H 1 63 PHE H . . 5.500 4.392 4.194 4.645 . 0 0 "[ . 1 . 2]" 1
297 1 18 LYS HA 1 18 LYS QD . . 3.840 2.290 2.124 2.494 . 0 0 "[ . 1 . 2]" 1
298 1 18 LYS HA 1 18 LYS HE2 . . 5.000 4.602 4.309 4.981 . 0 0 "[ . 1 . 2]" 1
299 1 18 LYS HA 1 18 LYS HE3 . . 5.000 4.759 4.496 5.009 0.009 8 0 "[ . 1 . 2]" 1
300 1 18 LYS HA 1 19 MET H . . 3.090 2.165 2.163 2.167 . 0 0 "[ . 1 . 2]" 1
301 1 18 LYS HA 1 24 HIS HA . . 2.940 2.844 2.616 2.980 0.040 18 0 "[ . 1 . 2]" 1
302 1 18 LYS QB 1 18 LYS QD . . 3.240 2.265 2.158 2.338 . 0 0 "[ . 1 . 2]" 1
303 1 18 LYS QB 1 18 LYS QE . . 4.370 3.540 2.951 3.814 . 0 0 "[ . 1 . 2]" 1
304 1 18 LYS QB 1 24 HIS HA . . 4.550 3.553 3.309 4.272 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS QB 1 24 HIS HE1 . . 5.340 4.045 3.182 5.342 0.002 8 0 "[ . 1 . 2]" 1
306 1 18 LYS QB 1 61 ASP QB . . 4.350 3.535 3.239 3.690 . 0 0 "[ . 1 . 2]" 1
307 1 18 LYS QB 1 62 ILE H . . 5.340 5.083 4.978 5.215 . 0 0 "[ . 1 . 2]" 1
308 1 18 LYS QB 1 62 ILE MG . . 5.060 4.262 4.055 4.436 . 0 0 "[ . 1 . 2]" 1
309 1 18 LYS QD 1 19 MET H . . 3.740 3.000 2.614 3.741 0.001 10 0 "[ . 1 . 2]" 1
310 1 18 LYS QD 1 23 PRO HA . . 4.220 3.303 2.833 3.566 . 0 0 "[ . 1 . 2]" 1
311 1 18 LYS QD 1 24 HIS H . . 4.920 3.473 2.990 3.816 . 0 0 "[ . 1 . 2]" 1
312 1 18 LYS QD 1 24 HIS HA . . 3.850 2.868 2.433 3.072 . 0 0 "[ . 1 . 2]" 1
313 1 18 LYS HD2 1 24 HIS HA . . 4.410 3.730 3.007 4.350 . 0 0 "[ . 1 . 2]" 1
314 1 18 LYS HD3 1 24 HIS HA . . 4.410 3.133 2.464 4.045 . 0 0 "[ . 1 . 2]" 1
315 1 18 LYS QE 1 19 MET H . . 5.340 4.712 4.449 5.152 . 0 0 "[ . 1 . 2]" 1
316 1 18 LYS QE 1 24 HIS H . . 4.530 4.079 3.447 4.557 0.027 3 0 "[ . 1 . 2]" 1
317 1 18 LYS QE 1 24 HIS HE1 . . 3.410 2.858 2.266 3.414 0.004 17 0 "[ . 1 . 2]" 1
318 1 18 LYS HE2 1 24 HIS H . . 5.140 4.653 3.544 5.160 0.020 15 0 "[ . 1 . 2]" 1
319 1 18 LYS HE3 1 24 HIS H . . 5.140 4.726 3.616 5.153 0.013 18 0 "[ . 1 . 2]" 1
320 1 19 MET H 1 19 MET HB2 . . 3.640 2.189 2.161 2.229 . 0 0 "[ . 1 . 2]" 1
321 1 19 MET H 1 19 MET QB . . 3.180 2.167 2.138 2.206 . 0 0 "[ . 1 . 2]" 1
322 1 19 MET H 1 19 MET HB3 . . 3.640 3.463 3.403 3.513 . 0 0 "[ . 1 . 2]" 1
323 1 19 MET H 1 19 MET HG2 . . 4.260 3.831 3.273 4.220 . 0 0 "[ . 1 . 2]" 1
324 1 19 MET H 1 19 MET QG . . 3.620 3.149 3.007 3.279 . 0 0 "[ . 1 . 2]" 1
325 1 19 MET H 1 19 MET HG3 . . 4.260 3.474 3.093 4.067 . 0 0 "[ . 1 . 2]" 1
326 1 19 MET H 1 24 HIS HA . . 4.810 4.389 4.213 4.556 . 0 0 "[ . 1 . 2]" 1
327 1 19 MET H 1 55 ALA MB . . 5.500 5.516 5.502 5.533 0.033 20 0 "[ . 1 . 2]" 1
328 1 19 MET HA 1 19 MET HG2 . . 3.750 2.299 2.095 2.526 . 0 0 "[ . 1 . 2]" 1
329 1 19 MET HA 1 19 MET QG . . 3.210 2.223 2.068 2.481 . 0 0 "[ . 1 . 2]" 1
330 1 19 MET HA 1 19 MET HG3 . . 3.750 3.118 2.618 3.620 . 0 0 "[ . 1 . 2]" 1
331 1 19 MET HA 1 22 TYR QE . . 5.500 5.506 5.483 5.523 0.023 4 0 "[ . 1 . 2]" 1
332 1 19 MET HA 1 55 ALA MB . . 4.910 4.307 4.104 4.541 . 0 0 "[ . 1 . 2]" 1
333 1 19 MET HA 1 57 LEU MD1 . . 4.050 2.453 2.227 2.674 . 0 0 "[ . 1 . 2]" 1
334 1 19 MET HA 1 57 LEU MD2 . . 3.820 2.364 2.094 2.602 . 0 0 "[ . 1 . 2]" 1
335 1 19 MET QB 1 20 LYS H . . 3.370 3.125 3.029 3.240 . 0 0 "[ . 1 . 2]" 1
336 1 19 MET QB 1 21 GLY HA3 . . 5.340 5.289 5.165 5.382 0.042 18 0 "[ . 1 . 2]" 1
337 1 19 MET QB 1 22 TYR QE . . 3.730 3.256 3.192 3.332 . 0 0 "[ . 1 . 2]" 1
338 1 19 MET QB 1 55 ALA MB . . 4.750 4.137 3.980 4.256 . 0 0 "[ . 1 . 2]" 1
339 1 19 MET QB 1 57 LEU MD2 . . 4.320 4.022 3.742 4.211 . 0 0 "[ . 1 . 2]" 1
340 1 19 MET HB2 1 22 TYR QD . . 3.140 2.963 2.756 3.052 . 0 0 "[ . 1 . 2]" 1
341 1 19 MET HB2 1 57 LEU MD2 . . 5.020 4.768 4.488 4.996 . 0 0 "[ . 1 . 2]" 1
342 1 19 MET HB3 1 22 TYR QD . . 3.140 2.022 1.983 2.125 . 0 0 "[ . 1 . 2]" 1
343 1 19 MET HB3 1 57 LEU MD2 . . 5.020 4.333 4.006 4.534 . 0 0 "[ . 1 . 2]" 1
344 1 19 MET QG 1 20 LYS H . . 4.500 3.669 3.334 4.138 . 0 0 "[ . 1 . 2]" 1
345 1 19 MET QG 1 55 ALA MB . . 3.350 2.526 2.386 2.663 . 0 0 "[ . 1 . 2]" 1
346 1 19 MET QG 1 57 LEU MD1 . . 3.600 2.319 2.002 2.584 . 0 0 "[ . 1 . 2]" 1
347 1 19 MET QG 1 57 LEU MD2 . . 3.230 2.796 2.371 3.232 0.002 12 0 "[ . 1 . 2]" 1
348 1 19 MET QG 1 57 LEU HG . . 4.080 3.902 3.663 4.095 0.015 9 0 "[ . 1 . 2]" 1
349 1 19 MET HG2 1 22 TYR QD . . 4.930 4.611 4.352 4.911 . 0 0 "[ . 1 . 2]" 1
350 1 19 MET HG2 1 55 ALA MB . . 3.860 2.746 2.548 2.899 . 0 0 "[ . 1 . 2]" 1
351 1 19 MET HG3 1 22 TYR QD . . 4.930 4.689 4.294 4.927 . 0 0 "[ . 1 . 2]" 1
352 1 19 MET HG3 1 55 ALA MB . . 3.860 2.972 2.742 3.284 . 0 0 "[ . 1 . 2]" 1
353 1 21 GLY HA2 1 22 TYR H . . 3.350 3.092 3.017 3.193 . 0 0 "[ . 1 . 2]" 1
354 1 21 GLY HA2 1 22 TYR QE . . 5.500 5.227 5.152 5.293 . 0 0 "[ . 1 . 2]" 1
355 1 22 TYR H 1 22 TYR QB . . 3.490 2.879 2.825 2.913 . 0 0 "[ . 1 . 2]" 1
356 1 22 TYR H 1 22 TYR QD . . 3.440 2.862 2.811 2.914 . 0 0 "[ . 1 . 2]" 1
357 1 22 TYR H 1 22 TYR QE . . 4.830 4.790 4.694 4.862 0.032 10 0 "[ . 1 . 2]" 1
358 1 23 PRO HA 1 24 HIS H . . 2.640 2.464 2.457 2.480 . 0 0 "[ . 1 . 2]" 1
359 1 23 PRO HA 1 24 HIS HB2 . . 5.300 5.130 4.995 5.262 . 0 0 "[ . 1 . 2]" 1
360 1 23 PRO HA 1 24 HIS HE1 . . 5.500 5.188 4.564 5.597 0.097 3 0 "[ . 1 . 2]" 1
361 1 23 PRO QB 1 24 HIS H . . 3.010 2.402 2.369 2.419 . 0 0 "[ . 1 . 2]" 1
362 1 23 PRO HB2 1 24 HIS H . . 3.750 2.458 2.421 2.477 . 0 0 "[ . 1 . 2]" 1
363 1 23 PRO HB3 1 24 HIS H . . 3.750 3.377 3.359 3.386 . 0 0 "[ . 1 . 2]" 1
364 1 24 HIS H 1 24 HIS HB3 . . 4.100 3.593 3.573 3.612 . 0 0 "[ . 1 . 2]" 1
365 1 24 HIS H 1 24 HIS HE1 . . 5.500 4.645 4.136 5.021 . 0 0 "[ . 1 . 2]" 1
366 1 24 HIS H 1 25 TRP H . . 5.290 4.620 4.611 4.631 . 0 0 "[ . 1 . 2]" 1
367 1 24 HIS HA 1 25 TRP H . . 3.250 2.254 2.238 2.293 . 0 0 "[ . 1 . 2]" 1
368 1 24 HIS HA 1 25 TRP QB . . 4.520 3.956 3.940 3.963 . 0 0 "[ . 1 . 2]" 1
369 1 24 HIS HB2 1 25 TRP H . . 4.320 3.748 3.653 3.844 . 0 0 "[ . 1 . 2]" 1
370 1 24 HIS HB2 1 68 ASN QB . . 4.580 4.008 3.630 4.618 0.038 11 0 "[ . 1 . 2]" 1
371 1 24 HIS HB3 1 25 TRP H . . 3.920 2.876 2.728 2.975 . 0 0 "[ . 1 . 2]" 1
372 1 25 TRP QB 1 48 PHE QD . . 5.340 3.351 3.043 3.474 . 0 0 "[ . 1 . 2]" 1
373 1 25 TRP HD1 1 26 PRO HA . . 4.580 4.372 4.239 4.590 0.010 19 0 "[ . 1 . 2]" 1
374 1 25 TRP HD1 1 27 ALA MB . . 3.820 2.594 2.506 2.847 . 0 0 "[ . 1 . 2]" 1
375 1 25 TRP HD1 1 48 PHE HB3 . . 4.610 4.218 4.013 4.560 . 0 0 "[ . 1 . 2]" 1
376 1 25 TRP HD1 1 48 PHE QD . . 3.150 2.291 1.976 3.032 . 0 0 "[ . 1 . 2]" 1
377 1 25 TRP HD1 1 49 PHE QB . . 4.560 4.407 4.122 4.579 0.019 16 0 "[ . 1 . 2]" 1
378 1 25 TRP HE1 1 48 PHE HA . . 5.110 3.736 3.643 3.831 . 0 0 "[ . 1 . 2]" 1
379 1 25 TRP HE1 1 48 PHE QD . . 4.000 3.367 3.111 3.597 . 0 0 "[ . 1 . 2]" 1
380 1 25 TRP HE1 1 49 PHE H . . 5.500 2.639 2.447 2.807 . 0 0 "[ . 1 . 2]" 1
381 1 25 TRP HE1 1 49 PHE QB . . 4.130 3.041 2.782 3.250 . 0 0 "[ . 1 . 2]" 1
382 1 25 TRP HE1 1 50 GLY HA2 . . 5.500 5.574 5.539 5.624 0.124 14 0 "[ . 1 . 2]" 1
383 1 25 TRP HE1 1 50 GLY HA3 . . 5.500 4.135 4.054 4.233 . 0 0 "[ . 1 . 2]" 1
384 1 25 TRP HE1 1 51 THR H . . 4.200 4.033 3.835 4.122 . 0 0 "[ . 1 . 2]" 1
385 1 25 TRP HE1 1 51 THR MG . . 4.370 4.191 3.828 4.347 . 0 0 "[ . 1 . 2]" 1
386 1 25 TRP HH2 1 51 THR MG . . 4.010 3.828 3.449 4.029 0.019 14 0 "[ . 1 . 2]" 1
387 1 25 TRP HH2 1 80 GLY H . . 5.500 4.157 3.944 4.545 . 0 0 "[ . 1 . 2]" 1
388 1 25 TRP HH2 1 80 GLY HA2 . . 4.110 3.733 3.592 3.891 . 0 0 "[ . 1 . 2]" 1
389 1 25 TRP HH2 1 80 GLY HA3 . . 4.270 2.309 2.094 2.581 . 0 0 "[ . 1 . 2]" 1
390 1 25 TRP HH2 1 81 PHE H . . 3.470 3.300 3.005 3.525 0.055 11 0 "[ . 1 . 2]" 1
391 1 25 TRP HH2 1 81 PHE HA . . 3.670 3.285 2.977 3.440 . 0 0 "[ . 1 . 2]" 1
392 1 25 TRP HH2 1 81 PHE HB2 . . 5.500 5.422 5.229 5.525 0.025 13 0 "[ . 1 . 2]" 1
393 1 25 TRP HH2 1 81 PHE HB3 . . 4.510 4.457 4.237 4.571 0.061 11 0 "[ . 1 . 2]" 1
394 1 25 TRP HH2 1 83 GLU H . . 5.500 4.719 4.209 5.011 . 0 0 "[ . 1 . 2]" 1
395 1 25 TRP HZ2 1 51 THR H . . 4.120 3.829 3.685 3.958 . 0 0 "[ . 1 . 2]" 1
396 1 25 TRP HZ2 1 51 THR MG . . 3.330 3.282 3.098 3.359 0.029 7 0 "[ . 1 . 2]" 1
397 1 25 TRP HZ2 1 75 PRO QG . . 5.350 4.674 4.329 5.379 0.029 13 0 "[ . 1 . 2]" 1
398 1 25 TRP HZ2 1 80 GLY HA2 . . 5.140 4.856 4.534 5.206 0.066 19 0 "[ . 1 . 2]" 1
399 1 25 TRP HZ2 1 83 GLU H . . 5.500 5.147 4.819 5.493 . 0 0 "[ . 1 . 2]" 1
400 1 25 TRP HZ2 1 83 GLU QB . . 5.340 4.326 3.870 4.607 . 0 0 "[ . 1 . 2]" 1
401 1 26 PRO HA 1 27 ALA H . . 3.470 2.158 2.151 2.163 . 0 0 "[ . 1 . 2]" 1
402 1 26 PRO HA 1 27 ALA MB . . 4.160 4.049 3.953 4.087 . 0 0 "[ . 1 . 2]" 1
403 1 26 PRO HA 1 65 TYR QB . . 4.890 3.838 3.709 3.886 . 0 0 "[ . 1 . 2]" 1
404 1 26 PRO HA 1 65 TYR QD . . 5.500 5.436 5.145 5.518 0.018 19 0 "[ . 1 . 2]" 1
405 1 26 PRO HA 1 88 ILE MD . . 3.830 2.854 2.756 2.920 . 0 0 "[ . 1 . 2]" 1
406 1 26 PRO HA 1 88 ILE MG . . 5.310 5.219 4.952 5.354 0.044 9 0 "[ . 1 . 2]" 1
407 1 26 PRO HB2 1 27 ALA H . . 4.060 3.761 3.643 3.803 . 0 0 "[ . 1 . 2]" 1
408 1 26 PRO HB2 1 27 ALA HA . . 4.370 4.320 4.249 4.364 . 0 0 "[ . 1 . 2]" 1
409 1 26 PRO HB2 1 49 PHE H . . 5.500 5.549 5.503 5.600 0.100 19 0 "[ . 1 . 2]" 1
410 1 26 PRO HB2 1 49 PHE QB . . 4.240 4.111 3.938 4.276 0.036 20 0 "[ . 1 . 2]" 1
411 1 26 PRO HB2 1 85 LEU MD1 . . 4.060 3.574 3.244 3.993 . 0 0 "[ . 1 . 2]" 1
412 1 26 PRO HB2 1 88 ILE H . . 5.500 5.581 5.550 5.639 0.139 20 0 "[ . 1 . 2]" 1
413 1 26 PRO HB2 1 88 ILE MD . . 4.070 1.901 1.873 2.069 . 0 0 "[ . 1 . 2]" 1
414 1 26 PRO HB2 1 88 ILE MG . . 4.010 3.444 3.143 3.600 . 0 0 "[ . 1 . 2]" 1
415 1 26 PRO HB3 1 27 ALA H . . 4.410 4.159 4.076 4.190 . 0 0 "[ . 1 . 2]" 1
416 1 26 PRO HB3 1 85 LEU MD1 . . 4.630 3.426 3.179 3.644 . 0 0 "[ . 1 . 2]" 1
417 1 26 PRO HB3 1 88 ILE MD . . 4.060 2.352 2.181 2.693 . 0 0 "[ . 1 . 2]" 1
418 1 26 PRO HB3 1 88 ILE MG . . 4.310 3.766 3.588 4.031 . 0 0 "[ . 1 . 2]" 1
419 1 27 ALA H 1 27 ALA MB . . 3.160 2.553 2.478 2.617 . 0 0 "[ . 1 . 2]" 1
420 1 27 ALA H 1 46 ILE MG . . 5.360 4.610 4.475 4.783 . 0 0 "[ . 1 . 2]" 1
421 1 27 ALA H 1 49 PHE QB . . 5.340 4.904 4.589 5.108 . 0 0 "[ . 1 . 2]" 1
422 1 27 ALA H 1 49 PHE QD . . 5.500 4.946 4.425 5.544 0.044 4 0 "[ . 1 . 2]" 1
423 1 27 ALA H 1 88 ILE MD . . 3.440 3.051 2.751 3.302 . 0 0 "[ . 1 . 2]" 1
424 1 27 ALA HA 1 28 ARG H . . 3.330 2.653 2.634 2.679 . 0 0 "[ . 1 . 2]" 1
425 1 27 ALA HA 1 46 ILE MG . . 4.770 4.511 4.370 4.668 . 0 0 "[ . 1 . 2]" 1
426 1 27 ALA HA 1 48 PHE HA . . 3.730 3.343 3.113 3.661 . 0 0 "[ . 1 . 2]" 1
427 1 27 ALA HA 1 49 PHE H . . 3.460 2.408 2.069 2.731 . 0 0 "[ . 1 . 2]" 1
428 1 27 ALA HA 1 49 PHE QD . . 3.990 2.833 2.319 3.848 . 0 0 "[ . 1 . 2]" 1
429 1 27 ALA HA 1 88 ILE MD . . 4.950 3.916 3.214 4.373 . 0 0 "[ . 1 . 2]" 1
430 1 27 ALA MB 1 28 ARG H . . 3.330 1.971 1.913 2.143 . 0 0 "[ . 1 . 2]" 1
431 1 27 ALA MB 1 28 ARG HA . . 4.090 3.941 3.836 3.980 . 0 0 "[ . 1 . 2]" 1
432 1 27 ALA MB 1 28 ARG QB . . 4.780 4.096 3.929 4.334 . 0 0 "[ . 1 . 2]" 1
433 1 27 ALA MB 1 46 ILE HA . . 4.100 4.042 3.923 4.126 0.026 10 0 "[ . 1 . 2]" 1
434 1 27 ALA MB 1 46 ILE MD . . 4.440 4.062 3.922 4.214 . 0 0 "[ . 1 . 2]" 1
435 1 27 ALA MB 1 46 ILE MG . . 2.990 2.137 2.016 2.284 . 0 0 "[ . 1 . 2]" 1
436 1 27 ALA MB 1 47 PHE H . . 3.820 3.704 3.516 3.821 0.001 4 0 "[ . 1 . 2]" 1
437 1 27 ALA MB 1 47 PHE HB3 . . 4.330 4.173 4.062 4.330 0.000 5 0 "[ . 1 . 2]" 1
438 1 27 ALA MB 1 48 PHE H . . 4.650 3.859 3.697 3.964 . 0 0 "[ . 1 . 2]" 1
439 1 27 ALA MB 1 48 PHE HA . . 3.530 1.994 1.923 2.161 . 0 0 "[ . 1 . 2]" 1
440 1 27 ALA MB 1 48 PHE HB3 . . 4.770 4.168 3.975 4.431 . 0 0 "[ . 1 . 2]" 1
441 1 27 ALA MB 1 48 PHE QD . . 3.880 2.788 1.972 3.742 . 0 0 "[ . 1 . 2]" 1
442 1 27 ALA MB 1 49 PHE H . . 3.890 2.703 2.538 2.965 . 0 0 "[ . 1 . 2]" 1
443 1 27 ALA MB 1 62 ILE MG . . 4.680 4.669 4.569 4.718 0.038 14 0 "[ . 1 . 2]" 1
444 1 27 ALA MB 1 88 ILE MD . . 4.870 4.508 4.074 4.775 . 0 0 "[ . 1 . 2]" 1
445 1 28 ARG H 1 28 ARG QB . . 3.430 2.685 2.463 3.014 . 0 0 "[ . 1 . 2]" 1
446 1 28 ARG H 1 28 ARG QG . . 4.370 3.366 2.028 4.193 . 0 0 "[ . 1 . 2]" 1
447 1 28 ARG H 1 46 ILE MG . . 3.780 3.410 3.192 3.570 . 0 0 "[ . 1 . 2]" 1
448 1 28 ARG H 1 47 PHE HB2 . . 4.800 4.723 4.560 4.848 0.048 10 0 "[ . 1 . 2]" 1
449 1 28 ARG H 1 47 PHE HB3 . . 4.400 3.212 3.064 3.352 . 0 0 "[ . 1 . 2]" 1
450 1 28 ARG H 1 47 PHE QD . . 5.500 4.331 4.043 4.534 . 0 0 "[ . 1 . 2]" 1
451 1 28 ARG HA 1 29 VAL H . . 3.290 2.312 2.179 2.465 . 0 0 "[ . 1 . 2]" 1
452 1 28 ARG HA 1 29 VAL HB . . 4.880 4.727 4.676 4.810 . 0 0 "[ . 1 . 2]" 1
453 1 28 ARG HA 1 29 VAL MG1 . . 5.500 5.477 5.458 5.497 . 0 0 "[ . 1 . 2]" 1
454 1 28 ARG HA 1 29 VAL MG2 . . 4.230 3.567 3.419 3.707 . 0 0 "[ . 1 . 2]" 1
455 1 28 ARG QB 1 47 PHE QD . . 5.180 3.494 2.629 4.496 . 0 0 "[ . 1 . 2]" 1
456 1 28 ARG QD 1 29 VAL HA . . 4.390 3.479 3.320 3.935 . 0 0 "[ . 1 . 2]" 1
457 1 28 ARG QD 1 47 PHE HB2 . . 3.620 3.159 2.509 3.623 0.003 6 0 "[ . 1 . 2]" 1
458 1 28 ARG QD 1 47 PHE HB3 . . 4.250 2.576 1.982 3.213 . 0 0 "[ . 1 . 2]" 1
459 1 28 ARG QG 1 29 VAL H . . 3.950 2.854 1.945 3.985 0.035 8 0 "[ . 1 . 2]" 1
460 1 28 ARG QG 1 47 PHE HB2 . . 5.340 4.560 3.223 5.352 0.012 13 0 "[ . 1 . 2]" 1
461 1 28 ARG QG 1 47 PHE HB3 . . 4.680 3.371 1.953 4.465 . 0 0 "[ . 1 . 2]" 1
462 1 28 ARG HG2 1 29 VAL H . . 4.680 3.170 1.952 4.706 0.026 10 0 "[ . 1 . 2]" 1
463 1 28 ARG HG3 1 29 VAL H . . 4.680 4.008 3.691 4.310 . 0 0 "[ . 1 . 2]" 1
464 1 29 VAL H 1 29 VAL HB . . 3.160 2.538 2.494 2.581 . 0 0 "[ . 1 . 2]" 1
465 1 29 VAL H 1 29 VAL MG2 . . 2.730 2.529 2.277 2.709 . 0 0 "[ . 1 . 2]" 1
466 1 29 VAL H 1 30 ASP H . . 5.500 4.529 4.477 4.583 . 0 0 "[ . 1 . 2]" 1
467 1 29 VAL H 1 46 ILE MD . . 5.060 4.835 4.559 5.065 0.005 14 0 "[ . 1 . 2]" 1
468 1 29 VAL H 1 46 ILE MG . . 5.500 5.162 4.888 5.505 0.005 14 0 "[ . 1 . 2]" 1
469 1 29 VAL HA 1 29 VAL MG1 . . 3.130 2.299 2.238 2.341 . 0 0 "[ . 1 . 2]" 1
470 1 29 VAL HA 1 29 VAL MG2 . . 3.540 2.326 2.263 2.407 . 0 0 "[ . 1 . 2]" 1
471 1 29 VAL HA 1 30 ASP H . . 3.110 2.186 2.170 2.220 . 0 0 "[ . 1 . 2]" 1
472 1 29 VAL HA 1 30 ASP HA . . 4.500 4.378 4.375 4.380 . 0 0 "[ . 1 . 2]" 1
473 1 29 VAL HA 1 30 ASP HB2 . . 5.130 4.203 4.114 4.371 . 0 0 "[ . 1 . 2]" 1
474 1 29 VAL HA 1 30 ASP QB . . 4.380 3.986 3.955 4.033 . 0 0 "[ . 1 . 2]" 1
475 1 29 VAL HA 1 30 ASP HB3 . . 5.130 4.977 4.732 5.134 0.004 16 0 "[ . 1 . 2]" 1
476 1 29 VAL HA 1 45 PRO HG2 . . 4.720 4.440 4.280 4.629 . 0 0 "[ . 1 . 2]" 1
477 1 29 VAL HA 1 46 ILE HA . . 3.860 2.929 2.727 3.239 . 0 0 "[ . 1 . 2]" 1
478 1 29 VAL HA 1 46 ILE MD . . 3.530 2.872 2.634 3.053 . 0 0 "[ . 1 . 2]" 1
479 1 29 VAL HA 1 46 ILE MG . . 4.360 3.957 3.719 4.243 . 0 0 "[ . 1 . 2]" 1
480 1 29 VAL HA 1 47 PHE H . . 4.190 3.495 3.192 3.788 . 0 0 "[ . 1 . 2]" 1
481 1 29 VAL HB 1 46 ILE MD . . 5.100 4.781 4.549 5.028 . 0 0 "[ . 1 . 2]" 1
482 1 29 VAL MG1 1 30 ASP H . . 3.090 2.206 2.072 2.475 . 0 0 "[ . 1 . 2]" 1
483 1 29 VAL MG1 1 30 ASP HA . . 4.340 3.856 3.762 3.967 . 0 0 "[ . 1 . 2]" 1
484 1 29 VAL MG1 1 30 ASP QB . . 4.840 3.927 3.842 4.030 . 0 0 "[ . 1 . 2]" 1
485 1 29 VAL MG1 1 45 PRO HG2 . . 3.640 3.173 2.946 3.432 . 0 0 "[ . 1 . 2]" 1
486 1 29 VAL MG2 1 30 ASP H . . 4.830 3.969 3.924 4.041 . 0 0 "[ . 1 . 2]" 1
487 1 29 VAL MG2 1 46 ILE HA . . 5.180 3.961 3.801 4.148 . 0 0 "[ . 1 . 2]" 1
488 1 29 VAL MG2 1 46 ILE MD . . 3.390 2.633 2.351 2.813 . 0 0 "[ . 1 . 2]" 1
489 1 29 VAL MG2 1 62 ILE MD . . 3.540 3.010 2.762 3.181 . 0 0 "[ . 1 . 2]" 1
490 1 29 VAL MG2 1 62 ILE MG . . 4.410 4.051 3.783 4.327 . 0 0 "[ . 1 . 2]" 1
491 1 30 ASP H 1 30 ASP HB2 . . 3.710 2.562 2.439 2.759 . 0 0 "[ . 1 . 2]" 1
492 1 30 ASP H 1 30 ASP QB . . 3.100 2.378 2.339 2.407 . 0 0 "[ . 1 . 2]" 1
493 1 30 ASP H 1 30 ASP HB3 . . 3.710 2.864 2.645 3.014 . 0 0 "[ . 1 . 2]" 1
494 1 30 ASP H 1 31 GLU H . . 4.630 4.534 4.470 4.549 . 0 0 "[ . 1 . 2]" 1
495 1 30 ASP H 1 44 LEU HB2 . . 5.500 4.732 4.475 5.057 . 0 0 "[ . 1 . 2]" 1
496 1 30 ASP H 1 45 PRO QB . . 4.290 3.194 3.042 3.404 . 0 0 "[ . 1 . 2]" 1
497 1 30 ASP H 1 45 PRO HG2 . . 3.720 2.539 2.313 2.746 . 0 0 "[ . 1 . 2]" 1
498 1 30 ASP H 1 46 ILE HA . . 4.040 3.654 3.434 3.849 . 0 0 "[ . 1 . 2]" 1
499 1 30 ASP H 1 46 ILE MD . . 3.980 3.830 3.618 3.991 0.011 14 0 "[ . 1 . 2]" 1
500 1 30 ASP H 1 46 ILE MG . . 5.500 5.190 4.973 5.368 . 0 0 "[ . 1 . 2]" 1
501 1 30 ASP H 1 47 PHE H . . 4.210 3.945 3.645 4.216 0.006 7 0 "[ . 1 . 2]" 1
502 1 30 ASP HA 1 31 GLU H . . 3.160 2.420 2.333 2.588 . 0 0 "[ . 1 . 2]" 1
503 1 30 ASP HA 1 31 GLU HA . . 4.410 4.326 4.303 4.367 . 0 0 "[ . 1 . 2]" 1
504 1 30 ASP HA 1 31 GLU QB . . 4.620 4.301 4.055 4.591 . 0 0 "[ . 1 . 2]" 1
505 1 30 ASP QB 1 31 GLU H . . 3.510 3.056 2.622 3.307 . 0 0 "[ . 1 . 2]" 1
506 1 30 ASP QB 1 45 PRO QB . . 3.430 1.971 1.889 2.131 . 0 0 "[ . 1 . 2]" 1
507 1 30 ASP QB 1 45 PRO HG2 . . 3.760 2.355 2.119 2.820 . 0 0 "[ . 1 . 2]" 1
508 1 30 ASP QB 1 47 PHE H . . 5.340 3.731 3.456 4.001 . 0 0 "[ . 1 . 2]" 1
509 1 30 ASP QB 1 47 PHE HB2 . . 4.070 3.353 2.942 3.854 . 0 0 "[ . 1 . 2]" 1
510 1 30 ASP HB2 1 31 GLU H . . 4.030 3.956 3.787 4.033 0.003 18 0 "[ . 1 . 2]" 1
511 1 30 ASP HB2 1 45 PRO HG2 . . 4.370 3.491 2.979 4.016 . 0 0 "[ . 1 . 2]" 1
512 1 30 ASP HB3 1 31 GLU H . . 4.030 3.189 2.674 3.548 . 0 0 "[ . 1 . 2]" 1
513 1 30 ASP HB3 1 45 PRO HG2 . . 4.370 2.397 2.164 2.881 . 0 0 "[ . 1 . 2]" 1
514 1 31 GLU H 1 31 GLU HB2 . . 3.720 2.802 2.254 3.656 . 0 0 "[ . 1 . 2]" 1
515 1 31 GLU H 1 31 GLU QB . . 3.150 2.384 2.189 2.704 . 0 0 "[ . 1 . 2]" 1
516 1 31 GLU H 1 31 GLU HB3 . . 3.720 3.001 2.374 3.636 . 0 0 "[ . 1 . 2]" 1
517 1 31 GLU H 1 31 GLU HG2 . . 4.600 3.563 1.952 4.608 0.008 19 0 "[ . 1 . 2]" 1
518 1 31 GLU H 1 31 GLU QG . . 3.890 2.890 1.922 3.930 0.040 5 0 "[ . 1 . 2]" 1
519 1 31 GLU H 1 31 GLU HG3 . . 4.600 3.382 1.956 4.462 . 0 0 "[ . 1 . 2]" 1
520 1 31 GLU H 1 32 VAL H . . 4.670 4.563 4.523 4.603 . 0 0 "[ . 1 . 2]" 1
521 1 31 GLU HA 1 31 GLU QG . . 3.720 2.675 2.187 3.400 . 0 0 "[ . 1 . 2]" 1
522 1 31 GLU HA 1 32 VAL H . . 2.840 2.486 2.275 2.588 . 0 0 "[ . 1 . 2]" 1
523 1 31 GLU QB 1 32 VAL H . . 3.450 2.483 2.034 3.484 0.034 5 0 "[ . 1 . 2]" 1
524 1 31 GLU QB 1 32 VAL QG . . 4.040 3.192 2.815 3.994 . 0 0 "[ . 1 . 2]" 1
525 1 31 GLU HB2 1 32 VAL H . . 3.950 3.209 2.052 3.962 0.012 6 0 "[ . 1 . 2]" 1
526 1 31 GLU HB3 1 32 VAL H . . 3.950 3.053 2.048 3.945 . 0 0 "[ . 1 . 2]" 1
527 1 31 GLU QG 1 32 VAL H . . 4.020 2.923 1.927 3.837 . 0 0 "[ . 1 . 2]" 1
528 1 31 GLU QG 1 32 VAL QG . . 4.850 3.340 2.335 4.450 . 0 0 "[ . 1 . 2]" 1
529 1 31 GLU HG2 1 32 VAL H . . 4.850 3.410 1.952 4.521 . 0 0 "[ . 1 . 2]" 1
530 1 31 GLU HG3 1 32 VAL H . . 4.850 3.591 1.974 4.708 . 0 0 "[ . 1 . 2]" 1
531 1 32 VAL H 1 32 VAL HB . . 3.790 3.607 3.597 3.658 . 0 0 "[ . 1 . 2]" 1
532 1 32 VAL H 1 32 VAL QG . . 3.050 1.945 1.872 1.993 . 0 0 "[ . 1 . 2]" 1
533 1 32 VAL HB 1 33 PRO HG3 . . 4.640 4.603 4.598 4.608 . 0 0 "[ . 1 . 2]" 1
534 1 32 VAL QG 1 33 PRO HG2 . . 4.570 4.253 4.228 4.265 . 0 0 "[ . 1 . 2]" 1
535 1 33 PRO HA 1 34 ASP H . . 2.820 2.489 2.486 2.492 . 0 0 "[ . 1 . 2]" 1
536 1 33 PRO HA 1 34 ASP HA . . 4.530 4.310 4.308 4.313 . 0 0 "[ . 1 . 2]" 1
537 1 33 PRO HA 1 35 GLY H . . 4.280 4.081 4.059 4.142 . 0 0 "[ . 1 . 2]" 1
538 1 33 PRO HA 1 37 VAL HB . . 4.690 4.121 3.954 4.536 . 0 0 "[ . 1 . 2]" 1
539 1 33 PRO QB 1 34 ASP H . . 2.840 2.347 2.342 2.355 . 0 0 "[ . 1 . 2]" 1
540 1 33 PRO QB 1 35 GLY H . . 4.140 2.257 2.238 2.274 . 0 0 "[ . 1 . 2]" 1
541 1 33 PRO QB 1 37 VAL H . . 5.340 2.847 2.656 3.183 . 0 0 "[ . 1 . 2]" 1
542 1 33 PRO QB 1 37 VAL HA . . 5.120 4.458 4.284 4.698 . 0 0 "[ . 1 . 2]" 1
543 1 33 PRO QB 1 37 VAL HB . . 2.400 2.081 1.951 2.285 . 0 0 "[ . 1 . 2]" 1
544 1 33 PRO QB 1 37 VAL QG . . 4.030 2.167 1.905 2.642 . 0 0 "[ . 1 . 2]" 1
545 1 33 PRO HB2 1 34 ASP H . . 3.510 2.397 2.392 2.405 . 0 0 "[ . 1 . 2]" 1
546 1 33 PRO HB2 1 37 VAL HB . . 3.100 2.272 2.159 2.489 . 0 0 "[ . 1 . 2]" 1
547 1 33 PRO HB3 1 34 ASP H . . 3.510 3.348 3.345 3.351 . 0 0 "[ . 1 . 2]" 1
548 1 33 PRO HB3 1 37 VAL HB . . 3.100 2.446 2.169 2.846 . 0 0 "[ . 1 . 2]" 1
549 1 34 ASP H 1 34 ASP QB . . 3.160 2.371 2.149 2.641 . 0 0 "[ . 1 . 2]" 1
550 1 34 ASP H 1 37 VAL HA . . 5.500 5.509 5.495 5.520 0.020 6 0 "[ . 1 . 2]" 1
551 1 34 ASP H 1 37 VAL HB . . 4.620 3.622 3.235 3.999 . 0 0 "[ . 1 . 2]" 1
552 1 34 ASP H 1 37 VAL QG . . 4.310 2.033 1.981 2.168 . 0 0 "[ . 1 . 2]" 1
553 1 34 ASP QB 1 35 GLY H . . 3.070 3.028 2.962 3.056 . 0 0 "[ . 1 . 2]" 1
554 1 35 GLY QA 1 36 ALA HA . . 4.490 4.011 3.990 4.028 . 0 0 "[ . 1 . 2]" 1
555 1 35 GLY QA 1 36 ALA MB . . 4.110 3.827 3.764 3.891 . 0 0 "[ . 1 . 2]" 1
556 1 36 ALA H 1 36 ALA MB . . 3.190 2.496 2.375 2.609 . 0 0 "[ . 1 . 2]" 1
557 1 36 ALA H 1 37 VAL H . . 3.900 2.352 2.230 2.576 . 0 0 "[ . 1 . 2]" 1
558 1 36 ALA HA 1 37 VAL H . . 3.060 3.013 2.979 3.057 . 0 0 "[ . 1 . 2]" 1
559 1 36 ALA HA 1 37 VAL HA . . 4.770 4.594 4.569 4.646 . 0 0 "[ . 1 . 2]" 1
560 1 36 ALA HA 1 38 LYS H . . 3.310 3.218 3.083 3.329 0.019 4 0 "[ . 1 . 2]" 1
561 1 36 ALA MB 1 37 VAL H . . 3.590 3.569 3.537 3.593 0.003 12 0 "[ . 1 . 2]" 1
562 1 36 ALA MB 1 37 VAL HA . . 4.240 4.117 4.061 4.146 . 0 0 "[ . 1 . 2]" 1
563 1 36 ALA MB 1 38 LYS H . . 4.430 4.141 4.080 4.212 . 0 0 "[ . 1 . 2]" 1
564 1 37 VAL H 1 37 VAL HB . . 3.020 2.728 2.686 2.746 . 0 0 "[ . 1 . 2]" 1
565 1 37 VAL H 1 37 VAL QG . . 3.960 2.110 2.045 2.237 . 0 0 "[ . 1 . 2]" 1
566 1 37 VAL H 1 38 LYS H . . 3.920 2.796 2.480 3.030 . 0 0 "[ . 1 . 2]" 1
567 1 37 VAL HA 1 37 VAL QG . . 2.630 2.037 2.011 2.103 . 0 0 "[ . 1 . 2]" 1
568 1 37 VAL HA 1 38 LYS H . . 3.320 2.967 2.826 3.247 . 0 0 "[ . 1 . 2]" 1
569 1 37 VAL HB 1 38 LYS H . . 4.190 4.014 3.595 4.183 . 0 0 "[ . 1 . 2]" 1
570 1 37 VAL QG 1 38 LYS H . . 4.360 3.723 3.632 3.761 . 0 0 "[ . 1 . 2]" 1
571 1 40 PRO HA 1 41 THR H . . 3.140 2.423 2.249 2.465 . 0 0 "[ . 1 . 2]" 1
572 1 40 PRO HA 1 41 THR HA . . 4.620 4.384 4.318 4.417 . 0 0 "[ . 1 . 2]" 1
573 1 40 PRO HA 1 41 THR HB . . 5.070 4.668 4.388 4.986 . 0 0 "[ . 1 . 2]" 1
574 1 40 PRO HA 1 42 ASN H . . 5.470 4.847 4.183 5.503 0.033 4 0 "[ . 1 . 2]" 1
575 1 40 PRO HA 1 43 LYS H . . 5.500 4.759 4.459 5.401 . 0 0 "[ . 1 . 2]" 1
576 1 40 PRO QB 1 41 THR H . . 3.360 2.493 2.396 2.909 . 0 0 "[ . 1 . 2]" 1
577 1 40 PRO QB 1 43 LYS H . . 5.000 2.435 1.989 3.470 . 0 0 "[ . 1 . 2]" 1
578 1 40 PRO QB 1 56 PHE HB2 . . 4.460 4.102 3.169 4.462 0.002 15 0 "[ . 1 . 2]" 1
579 1 40 PRO HB2 1 41 THR H . . 3.900 2.562 2.452 3.044 . 0 0 "[ . 1 . 2]" 1
580 1 40 PRO HB3 1 41 THR H . . 3.900 3.430 3.373 3.691 . 0 0 "[ . 1 . 2]" 1
581 1 41 THR H 1 41 THR HB . . 3.580 2.792 2.483 3.183 . 0 0 "[ . 1 . 2]" 1
582 1 41 THR H 1 41 THR MG . . 3.880 2.961 1.907 3.824 . 0 0 "[ . 1 . 2]" 1
583 1 41 THR HA 1 41 THR MG . . 3.180 2.735 2.288 3.206 0.026 8 0 "[ . 1 . 2]" 1
584 1 41 THR HA 1 42 ASN HA . . 4.780 4.491 4.400 4.565 . 0 0 "[ . 1 . 2]" 1
585 1 41 THR HA 1 42 ASN QB . . 5.090 4.605 3.966 5.088 . 0 0 "[ . 1 . 2]" 1
586 1 41 THR HA 1 43 LYS H . . 4.770 4.367 3.811 4.760 . 0 0 "[ . 1 . 2]" 1
587 1 41 THR HB 1 42 ASN QB . . 5.340 4.577 3.474 5.161 . 0 0 "[ . 1 . 2]" 1
588 1 41 THR MG 1 42 ASN HA . . 4.320 4.163 3.824 4.357 0.037 7 0 "[ . 1 . 2]" 1
589 1 41 THR MG 1 42 ASN QB . . 3.610 2.846 2.357 3.354 . 0 0 "[ . 1 . 2]" 1
590 1 41 THR MG 1 42 ASN QD . . 5.340 3.306 1.894 4.972 . 0 0 "[ . 1 . 2]" 1
591 1 42 ASN HA 1 43 LYS H . . 3.450 2.922 2.603 3.028 . 0 0 "[ . 1 . 2]" 1
592 1 42 ASN QD 1 43 LYS H . . 5.310 4.952 3.406 5.300 . 0 0 "[ . 1 . 2]" 1
593 1 43 LYS H 1 43 LYS HB2 . . 3.060 2.863 2.749 2.985 . 0 0 "[ . 1 . 2]" 1
594 1 43 LYS H 1 43 LYS QG . . 3.980 2.949 2.782 3.163 . 0 0 "[ . 1 . 2]" 1
595 1 43 LYS H 1 44 LEU H . . 4.540 4.411 4.400 4.435 . 0 0 "[ . 1 . 2]" 1
596 1 43 LYS HA 1 43 LYS QG . . 3.370 2.526 2.420 2.584 . 0 0 "[ . 1 . 2]" 1
597 1 43 LYS HA 1 44 LEU H . . 2.960 2.514 2.334 2.556 . 0 0 "[ . 1 . 2]" 1
598 1 43 LYS HA 1 44 LEU HA . . 4.490 4.458 4.410 4.482 . 0 0 "[ . 1 . 2]" 1
599 1 43 LYS HA 1 44 LEU HG . . 4.340 4.099 4.011 4.198 . 0 0 "[ . 1 . 2]" 1
600 1 43 LYS HA 1 56 PHE HB3 . . 5.140 4.919 4.562 5.141 0.001 17 0 "[ . 1 . 2]" 1
601 1 43 LYS HA 1 56 PHE QD . . 5.500 5.463 5.294 5.506 0.006 7 0 "[ . 1 . 2]" 1
602 1 43 LYS HA 1 57 LEU HA . . 5.250 4.472 4.029 4.903 . 0 0 "[ . 1 . 2]" 1
603 1 43 LYS HB2 1 44 LEU H . . 4.500 3.283 3.101 3.534 . 0 0 "[ . 1 . 2]" 1
604 1 43 LYS HB2 1 56 PHE HB2 . . 4.450 3.905 3.719 4.258 . 0 0 "[ . 1 . 2]" 1
605 1 43 LYS HB2 1 56 PHE HB3 . . 4.210 2.229 2.018 2.553 . 0 0 "[ . 1 . 2]" 1
606 1 43 LYS HB2 1 58 GLY H . . 4.840 4.712 4.498 4.842 0.002 20 0 "[ . 1 . 2]" 1
607 1 43 LYS HB3 1 43 LYS QD . . 3.030 2.454 2.001 2.810 . 0 0 "[ . 1 . 2]" 1
608 1 43 LYS HB3 1 44 LEU H . . 2.990 2.262 2.122 2.672 . 0 0 "[ . 1 . 2]" 1
609 1 43 LYS HB3 1 56 PHE HA . . 4.040 3.572 3.321 3.796 . 0 0 "[ . 1 . 2]" 1
610 1 43 LYS HB3 1 56 PHE HB2 . . 4.820 4.309 3.851 4.566 . 0 0 "[ . 1 . 2]" 1
611 1 43 LYS HB3 1 56 PHE HB3 . . 3.950 2.772 2.378 3.027 . 0 0 "[ . 1 . 2]" 1
612 1 43 LYS HB3 1 57 LEU H . . 3.220 2.768 2.590 3.078 . 0 0 "[ . 1 . 2]" 1
613 1 43 LYS HB3 1 58 GLY H . . 3.500 3.289 2.988 3.504 0.004 18 0 "[ . 1 . 2]" 1
614 1 43 LYS HB3 1 58 GLY HA3 . . 4.630 4.454 4.198 4.639 0.009 7 0 "[ . 1 . 2]" 1
615 1 43 LYS QD 1 43 LYS QE . . 2.350 2.039 1.988 2.090 . 0 0 "[ . 1 . 2]" 1
616 1 43 LYS QD 1 56 PHE HB2 . . 4.020 2.982 2.691 3.918 . 0 0 "[ . 1 . 2]" 1
617 1 43 LYS QD 1 56 PHE HB3 . . 4.280 2.294 1.988 3.047 . 0 0 "[ . 1 . 2]" 1
618 1 43 LYS QD 1 57 LEU HA . . 3.710 2.562 1.974 3.521 . 0 0 "[ . 1 . 2]" 1
619 1 43 LYS QE 1 43 LYS QG . . 3.190 2.175 2.030 2.385 . 0 0 "[ . 1 . 2]" 1
620 1 43 LYS QE 1 57 LEU HA . . 3.930 3.312 2.030 3.936 0.006 18 0 "[ . 1 . 2]" 1
621 1 43 LYS QE 1 58 GLY H . . 4.850 3.619 1.975 4.535 . 0 0 "[ . 1 . 2]" 1
622 1 43 LYS QG 1 44 LEU H . . 4.410 3.949 3.700 4.253 . 0 0 "[ . 1 . 2]" 1
623 1 43 LYS QG 1 58 GLY HA3 . . 4.260 3.368 2.906 3.794 . 0 0 "[ . 1 . 2]" 1
624 1 44 LEU H 1 44 LEU HB2 . . 3.840 3.653 3.606 3.684 . 0 0 "[ . 1 . 2]" 1
625 1 44 LEU H 1 44 LEU MD1 . . 3.880 3.827 3.752 3.876 . 0 0 "[ . 1 . 2]" 1
626 1 44 LEU H 1 44 LEU MD2 . . 4.030 2.385 2.151 2.605 . 0 0 "[ . 1 . 2]" 1
627 1 44 LEU H 1 44 LEU HG . . 3.160 2.180 2.093 2.236 . 0 0 "[ . 1 . 2]" 1
628 1 44 LEU H 1 46 ILE MD . . 5.250 4.080 3.982 4.166 . 0 0 "[ . 1 . 2]" 1
629 1 44 LEU H 1 56 PHE HA . . 4.910 3.923 3.694 4.094 . 0 0 "[ . 1 . 2]" 1
630 1 44 LEU H 1 56 PHE HB3 . . 4.920 4.236 3.908 4.499 . 0 0 "[ . 1 . 2]" 1
631 1 44 LEU H 1 57 LEU H . . 3.660 2.844 2.558 3.163 . 0 0 "[ . 1 . 2]" 1
632 1 44 LEU H 1 62 ILE MD . . 5.500 5.003 4.816 5.172 . 0 0 "[ . 1 . 2]" 1
633 1 44 LEU HA 1 44 LEU MD1 . . 4.310 4.111 4.101 4.115 . 0 0 "[ . 1 . 2]" 1
634 1 44 LEU HA 1 44 LEU HG . . 3.780 3.685 3.681 3.688 . 0 0 "[ . 1 . 2]" 1
635 1 44 LEU HA 1 45 PRO HA . . 4.550 4.387 4.387 4.388 . 0 0 "[ . 1 . 2]" 1
636 1 44 LEU HA 1 45 PRO HG2 . . 4.590 4.579 4.566 4.589 . 0 0 "[ . 1 . 2]" 1
637 1 44 LEU HA 1 46 ILE MD . . 4.760 4.699 4.642 4.756 . 0 0 "[ . 1 . 2]" 1
638 1 44 LEU HA 1 56 PHE QD . . 4.270 3.580 3.446 3.721 . 0 0 "[ . 1 . 2]" 1
639 1 44 LEU HB2 1 44 LEU MD1 . . 3.000 2.071 2.000 2.097 . 0 0 "[ . 1 . 2]" 1
640 1 44 LEU HB2 1 44 LEU MD2 . . 3.220 3.125 3.113 3.138 . 0 0 "[ . 1 . 2]" 1
641 1 44 LEU HB2 1 45 PRO HA . . 4.780 4.711 4.699 4.725 . 0 0 "[ . 1 . 2]" 1
642 1 44 LEU HB2 1 45 PRO HG2 . . 3.790 3.684 3.670 3.718 . 0 0 "[ . 1 . 2]" 1
643 1 44 LEU HB2 1 46 ILE HA . . 5.500 5.517 5.498 5.528 0.028 6 0 "[ . 1 . 2]" 1
644 1 44 LEU HB2 1 46 ILE MD . . 3.930 3.058 2.961 3.146 . 0 0 "[ . 1 . 2]" 1
645 1 44 LEU HB3 1 44 LEU MD1 . . 3.060 2.609 2.600 2.642 . 0 0 "[ . 1 . 2]" 1
646 1 44 LEU HB3 1 44 LEU MD2 . . 3.400 2.115 2.034 2.204 . 0 0 "[ . 1 . 2]" 1
647 1 44 LEU HB3 1 46 ILE MD . . 4.470 4.386 4.331 4.425 . 0 0 "[ . 1 . 2]" 1
648 1 44 LEU HB3 1 62 ILE MD . . 5.210 4.896 4.791 5.046 . 0 0 "[ . 1 . 2]" 1
649 1 44 LEU MD1 1 46 ILE HA . . 5.430 4.784 4.675 4.859 . 0 0 "[ . 1 . 2]" 1
650 1 44 LEU MD1 1 46 ILE MD . . 3.290 2.079 2.016 2.156 . 0 0 "[ . 1 . 2]" 1
651 1 44 LEU MD1 1 57 LEU H . . 5.020 4.795 4.634 4.904 . 0 0 "[ . 1 . 2]" 1
652 1 44 LEU MD1 1 58 GLY HA2 . . 5.000 4.436 4.292 4.700 . 0 0 "[ . 1 . 2]" 1
653 1 44 LEU MD1 1 59 PRO HA . . 3.740 3.388 3.292 3.505 . 0 0 "[ . 1 . 2]" 1
654 1 44 LEU MD1 1 59 PRO HB3 . . 3.790 3.789 3.731 3.801 0.011 5 0 "[ . 1 . 2]" 1
655 1 44 LEU MD1 1 62 ILE MD . . 3.060 1.813 1.734 1.957 . 0 0 "[ . 1 . 2]" 1
656 1 44 LEU MD1 1 62 ILE MG . . 3.770 3.110 2.939 3.336 . 0 0 "[ . 1 . 2]" 1
657 1 44 LEU MD2 1 46 ILE MD . . 4.450 3.897 3.833 3.947 . 0 0 "[ . 1 . 2]" 1
658 1 44 LEU MD2 1 59 PRO HA . . 4.180 3.035 2.825 3.211 . 0 0 "[ . 1 . 2]" 1
659 1 44 LEU MD2 1 59 PRO HB2 . . 4.640 4.415 4.303 4.541 . 0 0 "[ . 1 . 2]" 1
660 1 44 LEU MD2 1 59 PRO QG . . 4.370 3.570 3.506 3.628 . 0 0 "[ . 1 . 2]" 1
661 1 44 LEU HG 1 46 ILE MD . . 4.300 2.715 2.630 2.794 . 0 0 "[ . 1 . 2]" 1
662 1 44 LEU HG 1 57 LEU H . . 4.260 3.594 3.427 3.808 . 0 0 "[ . 1 . 2]" 1
663 1 44 LEU HG 1 58 GLY HA3 . . 5.500 5.264 5.157 5.453 . 0 0 "[ . 1 . 2]" 1
664 1 44 LEU HG 1 62 ILE MD . . 4.320 3.254 3.081 3.401 . 0 0 "[ . 1 . 2]" 1
665 1 45 PRO HA 1 46 ILE H . . 2.790 2.151 2.150 2.152 . 0 0 "[ . 1 . 2]" 1
666 1 45 PRO HA 1 46 ILE HA . . 4.620 4.403 4.401 4.404 . 0 0 "[ . 1 . 2]" 1
667 1 45 PRO HA 1 46 ILE HB . . 5.330 4.777 4.755 4.795 . 0 0 "[ . 1 . 2]" 1
668 1 45 PRO HA 1 46 ILE MD . . 4.460 4.134 4.049 4.204 . 0 0 "[ . 1 . 2]" 1
669 1 45 PRO HA 1 46 ILE MG . . 5.500 5.478 5.468 5.484 . 0 0 "[ . 1 . 2]" 1
670 1 45 PRO HA 1 55 ALA H . . 5.500 5.038 4.826 5.239 . 0 0 "[ . 1 . 2]" 1
671 1 45 PRO HA 1 56 PHE HA . . 3.700 3.477 3.391 3.558 . 0 0 "[ . 1 . 2]" 1
672 1 45 PRO HA 1 56 PHE QD . . 3.590 2.584 2.293 2.781 . 0 0 "[ . 1 . 2]" 1
673 1 45 PRO HA 1 56 PHE QE . . 3.870 2.478 2.264 2.667 . 0 0 "[ . 1 . 2]" 1
674 1 45 PRO HA 1 57 LEU H . . 4.780 4.754 4.649 4.795 0.015 6 0 "[ . 1 . 2]" 1
675 1 45 PRO QB 1 56 PHE QD . . 4.870 3.916 3.699 4.059 . 0 0 "[ . 1 . 2]" 1
676 1 45 PRO QB 1 56 PHE QE . . 3.790 2.320 2.058 2.527 . 0 0 "[ . 1 . 2]" 1
677 1 45 PRO HB2 1 56 PHE QE . . 4.480 3.926 3.639 4.138 . 0 0 "[ . 1 . 2]" 1
678 1 45 PRO HB3 1 56 PHE QE . . 4.480 2.337 2.070 2.549 . 0 0 "[ . 1 . 2]" 1
679 1 45 PRO HG2 1 46 ILE HA . . 5.240 4.992 4.984 5.003 . 0 0 "[ . 1 . 2]" 1
680 1 45 PRO HG2 1 46 ILE MD . . 4.640 4.424 4.331 4.509 . 0 0 "[ . 1 . 2]" 1
681 1 45 PRO HG2 1 56 PHE QE . . 4.760 4.731 4.559 4.771 0.011 3 0 "[ . 1 . 2]" 1
682 1 46 ILE H 1 46 ILE HB . . 2.950 2.754 2.728 2.783 . 0 0 "[ . 1 . 2]" 1
683 1 46 ILE H 1 46 ILE MD . . 3.980 3.508 3.453 3.561 . 0 0 "[ . 1 . 2]" 1
684 1 46 ILE H 1 46 ILE HG12 . . 3.280 2.651 2.587 2.698 . 0 0 "[ . 1 . 2]" 1
685 1 46 ILE H 1 46 ILE MG . . 3.950 3.898 3.887 3.910 . 0 0 "[ . 1 . 2]" 1
686 1 46 ILE H 1 54 THR HA . . 4.550 4.310 4.078 4.488 . 0 0 "[ . 1 . 2]" 1
687 1 46 ILE H 1 55 ALA HA . . 5.260 4.983 4.763 5.114 . 0 0 "[ . 1 . 2]" 1
688 1 46 ILE H 1 55 ALA MB . . 4.650 4.609 4.286 4.662 0.012 16 0 "[ . 1 . 2]" 1
689 1 46 ILE H 1 56 PHE HA . . 3.780 3.528 3.425 3.682 . 0 0 "[ . 1 . 2]" 1
690 1 46 ILE H 1 56 PHE QD . . 4.210 3.901 3.642 4.110 . 0 0 "[ . 1 . 2]" 1
691 1 46 ILE H 1 56 PHE QE . . 5.500 4.463 4.214 4.673 . 0 0 "[ . 1 . 2]" 1
692 1 46 ILE H 1 57 LEU H . . 4.640 4.484 4.344 4.638 . 0 0 "[ . 1 . 2]" 1
693 1 46 ILE H 1 57 LEU HG . . 5.500 5.436 5.284 5.502 0.002 7 0 "[ . 1 . 2]" 1
694 1 46 ILE HA 1 46 ILE MD . . 3.340 2.034 1.985 2.100 . 0 0 "[ . 1 . 2]" 1
695 1 46 ILE HA 1 46 ILE MG . . 3.430 2.236 2.204 2.285 . 0 0 "[ . 1 . 2]" 1
696 1 46 ILE HA 1 47 PHE H . . 3.090 2.171 2.145 2.214 . 0 0 "[ . 1 . 2]" 1
697 1 46 ILE HA 1 47 PHE HB2 . . 4.730 4.584 4.547 4.661 . 0 0 "[ . 1 . 2]" 1
698 1 46 ILE HA 1 47 PHE HB3 . . 4.910 4.727 4.663 4.775 . 0 0 "[ . 1 . 2]" 1
699 1 46 ILE HA 1 48 PHE H . . 5.500 5.501 5.416 5.527 0.027 19 0 "[ . 1 . 2]" 1
700 1 46 ILE HB 1 46 ILE MD . . 3.470 3.216 3.215 3.218 . 0 0 "[ . 1 . 2]" 1
701 1 46 ILE HB 1 47 PHE H . . 4.500 4.331 4.258 4.382 . 0 0 "[ . 1 . 2]" 1
702 1 46 ILE HB 1 48 PHE QD . . 5.100 4.460 3.730 5.043 . 0 0 "[ . 1 . 2]" 1
703 1 46 ILE HB 1 54 THR HA . . 4.560 4.389 4.242 4.563 0.003 17 0 "[ . 1 . 2]" 1
704 1 46 ILE HB 1 55 ALA H . . 3.720 2.826 2.737 2.959 . 0 0 "[ . 1 . 2]" 1
705 1 46 ILE HB 1 55 ALA HA . . 5.500 4.922 4.672 5.008 . 0 0 "[ . 1 . 2]" 1
706 1 46 ILE HB 1 55 ALA MB . . 3.440 3.257 2.784 3.447 0.007 2 0 "[ . 1 . 2]" 1
707 1 46 ILE HB 1 57 LEU MD1 . . 3.780 3.605 3.415 3.774 . 0 0 "[ . 1 . 2]" 1
708 1 46 ILE HB 1 57 LEU HG . . 4.360 4.042 3.882 4.134 . 0 0 "[ . 1 . 2]" 1
709 1 46 ILE MD 1 46 ILE MG . . 3.330 2.118 2.071 2.166 . 0 0 "[ . 1 . 2]" 1
710 1 46 ILE MD 1 47 PHE H . . 3.950 3.846 3.780 3.954 0.004 17 0 "[ . 1 . 2]" 1
711 1 46 ILE MD 1 55 ALA MB . . 5.340 5.256 4.974 5.344 0.004 6 0 "[ . 1 . 2]" 1
712 1 46 ILE MD 1 57 LEU H . . 4.060 3.765 3.633 3.890 . 0 0 "[ . 1 . 2]" 1
713 1 46 ILE MD 1 62 ILE H . . 5.500 5.434 5.233 5.504 0.004 3 0 "[ . 1 . 2]" 1
714 1 46 ILE MD 1 62 ILE MD . . 3.700 2.433 2.307 2.511 . 0 0 "[ . 1 . 2]" 1
715 1 46 ILE MD 1 62 ILE MG . . 3.580 2.114 1.942 2.296 . 0 0 "[ . 1 . 2]" 1
716 1 46 ILE HG12 1 55 ALA H . . 5.410 4.609 4.453 4.755 . 0 0 "[ . 1 . 2]" 1
717 1 46 ILE HG12 1 56 PHE H . . 5.500 5.422 5.236 5.505 0.005 4 0 "[ . 1 . 2]" 1
718 1 46 ILE HG12 1 57 LEU H . . 3.260 2.701 2.539 2.869 . 0 0 "[ . 1 . 2]" 1
719 1 46 ILE MG 1 47 PHE H . . 3.620 2.978 2.769 3.191 . 0 0 "[ . 1 . 2]" 1
720 1 46 ILE MG 1 48 PHE H . . 4.540 4.221 4.111 4.338 . 0 0 "[ . 1 . 2]" 1
721 1 46 ILE MG 1 48 PHE QD . . 3.830 3.639 3.257 3.846 0.016 4 0 "[ . 1 . 2]" 1
722 1 46 ILE MG 1 55 ALA H . . 4.740 3.954 3.876 4.035 . 0 0 "[ . 1 . 2]" 1
723 1 46 ILE MG 1 55 ALA MB . . 4.070 3.860 3.421 4.075 0.005 13 0 "[ . 1 . 2]" 1
724 1 46 ILE MG 1 57 LEU H . . 5.500 5.026 4.804 5.201 . 0 0 "[ . 1 . 2]" 1
725 1 46 ILE MG 1 57 LEU HG . . 4.870 4.611 4.445 4.734 . 0 0 "[ . 1 . 2]" 1
726 1 46 ILE MG 1 62 ILE MG . . 4.090 2.852 2.752 2.949 . 0 0 "[ . 1 . 2]" 1
727 1 47 PHE H 1 47 PHE HB2 . . 4.050 2.566 2.482 2.676 . 0 0 "[ . 1 . 2]" 1
728 1 47 PHE H 1 47 PHE HB3 . . 3.730 2.587 2.523 2.639 . 0 0 "[ . 1 . 2]" 1
729 1 47 PHE H 1 47 PHE QD . . 4.840 4.195 4.163 4.231 . 0 0 "[ . 1 . 2]" 1
730 1 47 PHE H 1 48 PHE H . . 4.740 4.328 4.285 4.364 . 0 0 "[ . 1 . 2]" 1
731 1 47 PHE H 1 54 THR HA . . 5.500 4.908 4.742 5.025 . 0 0 "[ . 1 . 2]" 1
732 1 47 PHE HA 1 48 PHE H . . 3.100 2.157 2.153 2.171 . 0 0 "[ . 1 . 2]" 1
733 1 47 PHE HA 1 48 PHE HB2 . . 4.410 4.308 4.248 4.357 . 0 0 "[ . 1 . 2]" 1
734 1 47 PHE HA 1 54 THR HB . . 3.520 3.261 3.084 3.409 . 0 0 "[ . 1 . 2]" 1
735 1 47 PHE HA 1 55 ALA H . . 4.450 4.203 3.854 4.447 . 0 0 "[ . 1 . 2]" 1
736 1 47 PHE HB2 1 48 PHE H . . 4.650 4.479 4.449 4.518 . 0 0 "[ . 1 . 2]" 1
737 1 47 PHE HB2 1 54 THR HB . . 4.870 4.720 4.462 4.878 0.008 13 0 "[ . 1 . 2]" 1
738 1 47 PHE HB3 1 48 PHE HA . . 5.320 5.080 5.015 5.110 . 0 0 "[ . 1 . 2]" 1
739 1 47 PHE QD 1 48 PHE H . . 3.860 3.468 3.315 3.680 . 0 0 "[ . 1 . 2]" 1
740 1 47 PHE QD 1 54 THR HA . . 4.540 3.810 3.511 4.052 . 0 0 "[ . 1 . 2]" 1
741 1 47 PHE QD 1 54 THR MG . . 4.120 4.109 3.985 4.141 0.021 17 0 "[ . 1 . 2]" 1
742 1 47 PHE QE 1 52 HIS HA . . 3.470 3.139 2.857 3.426 . 0 0 "[ . 1 . 2]" 1
743 1 47 PHE QE 1 52 HIS QB . . 3.960 3.589 3.172 3.969 0.009 13 0 "[ . 1 . 2]" 1
744 1 47 PHE QE 1 54 THR MG . . 4.490 4.502 4.492 4.515 0.025 14 0 "[ . 1 . 2]" 1
745 1 47 PHE QE 1 94 VAL MG1 . . 3.800 3.822 3.807 3.844 0.044 14 0 "[ . 1 . 2]" 1
746 1 47 PHE QE 1 95 LYS HA . . 4.160 3.562 2.781 4.070 . 0 0 "[ . 1 . 2]" 1
747 1 47 PHE QE 1 95 LYS QB . . 4.250 2.313 1.969 4.194 . 0 0 "[ . 1 . 2]" 1
748 1 48 PHE H 1 48 PHE HB2 . . 3.110 2.188 2.124 2.235 . 0 0 "[ . 1 . 2]" 1
749 1 48 PHE H 1 48 PHE QD . . 3.480 3.081 2.600 3.397 . 0 0 "[ . 1 . 2]" 1
750 1 48 PHE H 1 53 GLU H . . 3.870 3.704 3.518 3.809 . 0 0 "[ . 1 . 2]" 1
751 1 48 PHE H 1 53 GLU HB2 . . 5.400 3.868 3.759 3.963 . 0 0 "[ . 1 . 2]" 1
752 1 48 PHE H 1 53 GLU HB3 . . 5.450 4.762 4.605 4.955 . 0 0 "[ . 1 . 2]" 1
753 1 48 PHE H 1 53 GLU QG . . 5.340 5.365 5.270 5.416 0.076 5 0 "[ . 1 . 2]" 1
754 1 48 PHE H 1 54 THR HA . . 3.770 2.736 2.605 2.919 . 0 0 "[ . 1 . 2]" 1
755 1 48 PHE H 1 54 THR MG . . 5.220 4.944 4.794 5.097 . 0 0 "[ . 1 . 2]" 1
756 1 48 PHE H 1 55 ALA H . . 4.530 4.079 3.916 4.277 . 0 0 "[ . 1 . 2]" 1
757 1 48 PHE H 1 55 ALA MB . . 5.500 5.112 4.713 5.369 . 0 0 "[ . 1 . 2]" 1
758 1 48 PHE HA 1 48 PHE QD . . 3.860 2.512 2.048 3.030 . 0 0 "[ . 1 . 2]" 1
759 1 48 PHE HA 1 49 PHE H . . 3.030 2.142 2.138 2.152 . 0 0 "[ . 1 . 2]" 1
760 1 48 PHE HB2 1 51 THR H . . 4.930 4.758 4.581 4.961 0.031 17 0 "[ . 1 . 2]" 1
761 1 48 PHE HB2 1 53 GLU H . . 3.270 2.607 2.472 2.793 . 0 0 "[ . 1 . 2]" 1
762 1 48 PHE HB2 1 53 GLU HB2 . . 4.450 1.996 1.979 2.096 . 0 0 "[ . 1 . 2]" 1
763 1 48 PHE HB2 1 53 GLU HB3 . . 4.440 3.406 3.230 3.626 . 0 0 "[ . 1 . 2]" 1
764 1 48 PHE HB2 1 54 THR HA . . 4.400 3.811 3.558 4.092 . 0 0 "[ . 1 . 2]" 1
765 1 48 PHE HB3 1 49 PHE H . . 4.070 3.648 3.554 3.740 . 0 0 "[ . 1 . 2]" 1
766 1 48 PHE HB3 1 51 THR MG . . 4.380 3.727 3.294 3.951 . 0 0 "[ . 1 . 2]" 1
767 1 48 PHE HB3 1 53 GLU QG . . 4.410 4.032 3.715 4.413 0.003 7 0 "[ . 1 . 2]" 1
768 1 48 PHE QD 1 49 PHE H . . 4.140 3.681 3.256 4.075 . 0 0 "[ . 1 . 2]" 1
769 1 48 PHE QD 1 49 PHE QB . . 5.320 5.142 4.819 5.392 0.072 19 0 "[ . 1 . 2]" 1
770 1 48 PHE QD 1 51 THR MG . . 4.930 4.436 3.476 4.942 0.012 20 0 "[ . 1 . 2]" 1
771 1 48 PHE QD 1 53 GLU HB2 . . 3.860 2.866 2.281 3.524 . 0 0 "[ . 1 . 2]" 1
772 1 48 PHE QD 1 53 GLU HB3 . . 4.120 3.456 2.756 4.131 0.011 18 0 "[ . 1 . 2]" 1
773 1 48 PHE QD 1 54 THR H . . 4.760 3.859 3.445 4.383 . 0 0 "[ . 1 . 2]" 1
774 1 48 PHE QD 1 54 THR HA . . 4.020 3.325 2.633 3.918 . 0 0 "[ . 1 . 2]" 1
775 1 48 PHE QD 1 55 ALA H . . 4.120 3.366 2.747 4.030 . 0 0 "[ . 1 . 2]" 1
776 1 48 PHE QD 1 55 ALA HA . . 5.350 5.069 4.840 5.273 . 0 0 "[ . 1 . 2]" 1
777 1 48 PHE QD 1 55 ALA MB . . 3.080 3.067 2.870 3.116 0.036 8 0 "[ . 1 . 2]" 1
778 1 49 PHE H 1 49 PHE HB2 . . 3.500 2.264 2.090 3.279 . 0 0 "[ . 1 . 2]" 1
779 1 49 PHE H 1 49 PHE HB3 . . 3.500 3.308 2.106 3.481 . 0 0 "[ . 1 . 2]" 1
780 1 49 PHE H 1 49 PHE QD . . 3.610 3.430 2.951 3.617 0.007 1 0 "[ . 1 . 2]" 1
781 1 49 PHE QB 1 50 GLY H . . 4.140 3.003 2.886 3.262 . 0 0 "[ . 1 . 2]" 1
782 1 49 PHE QD 1 50 GLY H . . 4.640 2.835 2.543 3.675 . 0 0 "[ . 1 . 2]" 1
783 1 50 GLY H 1 51 THR H . . 5.320 3.072 3.054 3.121 . 0 0 "[ . 1 . 2]" 1
784 1 50 GLY H 1 83 GLU QB . . 4.980 4.867 4.082 5.017 0.037 19 0 "[ . 1 . 2]" 1
785 1 50 GLY QA 1 51 THR HA . . 4.520 3.994 3.990 3.997 . 0 0 "[ . 1 . 2]" 1
786 1 50 GLY QA 1 51 THR MG . . 4.520 3.305 3.222 3.396 . 0 0 "[ . 1 . 2]" 1
787 1 50 GLY QA 1 80 GLY HA3 . . 4.620 3.441 3.029 4.044 . 0 0 "[ . 1 . 2]" 1
788 1 50 GLY QA 1 83 GLU H . . 5.340 4.437 4.083 4.799 . 0 0 "[ . 1 . 2]" 1
789 1 50 GLY QA 1 83 GLU QB . . 4.330 2.604 2.015 2.842 . 0 0 "[ . 1 . 2]" 1
790 1 51 THR H 1 51 THR MG . . 3.350 2.578 2.308 2.766 . 0 0 "[ . 1 . 2]" 1
791 1 51 THR H 1 52 HIS HA . . 4.470 4.270 4.223 4.342 . 0 0 "[ . 1 . 2]" 1
792 1 51 THR H 1 53 GLU H . . 3.900 3.610 3.518 3.701 . 0 0 "[ . 1 . 2]" 1
793 1 51 THR H 1 53 GLU QG . . 4.980 4.405 4.249 4.621 . 0 0 "[ . 1 . 2]" 1
794 1 51 THR HA 1 51 THR MG . . 2.720 2.404 2.316 2.494 . 0 0 "[ . 1 . 2]" 1
795 1 51 THR HA 1 52 HIS HA . . 5.240 5.180 5.161 5.202 . 0 0 "[ . 1 . 2]" 1
796 1 51 THR HA 1 53 GLU H . . 4.560 4.515 4.380 4.576 0.016 16 0 "[ . 1 . 2]" 1
797 1 51 THR HA 1 53 GLU QG . . 3.850 3.825 3.755 3.896 0.046 11 0 "[ . 1 . 2]" 1
798 1 51 THR HA 1 80 GLY HA3 . . 5.080 4.948 4.770 5.086 0.006 9 0 "[ . 1 . 2]" 1
799 1 51 THR MG 1 52 HIS H . . 4.450 4.074 3.950 4.162 . 0 0 "[ . 1 . 2]" 1
800 1 51 THR MG 1 53 GLU H . . 5.260 4.419 4.231 4.543 . 0 0 "[ . 1 . 2]" 1
801 1 51 THR MG 1 53 GLU HB2 . . 4.630 4.425 4.240 4.556 . 0 0 "[ . 1 . 2]" 1
802 1 51 THR MG 1 53 GLU QG . . 3.680 3.551 3.393 3.670 . 0 0 "[ . 1 . 2]" 1
803 1 51 THR MG 1 79 LYS H . . 5.500 4.992 4.431 5.521 0.021 19 0 "[ . 1 . 2]" 1
804 1 51 THR MG 1 80 GLY H . . 4.930 4.729 4.578 4.923 . 0 0 "[ . 1 . 2]" 1
805 1 51 THR MG 1 80 GLY HA2 . . 4.210 4.021 3.848 4.201 . 0 0 "[ . 1 . 2]" 1
806 1 51 THR MG 1 80 GLY HA3 . . 3.610 3.014 2.744 3.165 . 0 0 "[ . 1 . 2]" 1
807 1 51 THR MG 1 81 PHE H . . 5.500 5.560 5.519 5.609 0.109 20 0 "[ . 1 . 2]" 1
808 1 52 HIS H 1 53 GLU H . . 3.480 2.761 2.691 2.804 . 0 0 "[ . 1 . 2]" 1
809 1 52 HIS HA 1 53 GLU HA . . 4.820 4.569 4.545 4.613 . 0 0 "[ . 1 . 2]" 1
810 1 52 HIS HE1 1 94 VAL MG1 . . 3.800 3.598 3.163 3.813 0.013 11 0 "[ . 1 . 2]" 1
811 1 52 HIS HE1 1 94 VAL MG2 . . 4.300 4.249 3.671 4.326 0.026 16 0 "[ . 1 . 2]" 1
812 1 53 GLU H 1 53 GLU HB2 . . 3.210 2.494 2.431 2.609 . 0 0 "[ . 1 . 2]" 1
813 1 53 GLU H 1 53 GLU HB3 . . 3.760 3.659 3.635 3.696 . 0 0 "[ . 1 . 2]" 1
814 1 53 GLU H 1 53 GLU QG . . 3.170 2.555 2.368 2.786 . 0 0 "[ . 1 . 2]" 1
815 1 53 GLU H 1 54 THR H . . 4.610 4.512 4.501 4.528 . 0 0 "[ . 1 . 2]" 1
816 1 53 GLU HA 1 53 GLU HG2 . . 3.510 2.778 2.454 3.255 . 0 0 "[ . 1 . 2]" 1
817 1 53 GLU HA 1 53 GLU QG . . 2.960 2.613 2.376 3.038 0.078 5 0 "[ . 1 . 2]" 1
818 1 53 GLU HA 1 53 GLU HG3 . . 3.510 3.193 2.966 3.643 0.133 11 0 "[ . 1 . 2]" 1
819 1 53 GLU HA 1 54 THR H . . 2.860 2.536 2.507 2.543 . 0 0 "[ . 1 . 2]" 1
820 1 53 GLU HA 1 54 THR HA . . 4.680 4.536 4.508 4.557 . 0 0 "[ . 1 . 2]" 1
821 1 53 GLU HA 1 54 THR HB . . 4.860 4.546 4.513 4.591 . 0 0 "[ . 1 . 2]" 1
822 1 53 GLU HA 1 54 THR MG . . 3.860 3.410 3.297 3.517 . 0 0 "[ . 1 . 2]" 1
823 1 53 GLU HB2 1 54 THR H . . 3.400 3.343 3.219 3.411 0.011 12 0 "[ . 1 . 2]" 1
824 1 53 GLU HB3 1 54 THR H . . 3.250 2.159 2.131 2.249 . 0 0 "[ . 1 . 2]" 1
825 1 53 GLU QG 1 54 THR H . . 4.190 3.874 3.725 4.051 . 0 0 "[ . 1 . 2]" 1
826 1 54 THR H 1 54 THR HB . . 3.720 3.527 3.444 3.587 . 0 0 "[ . 1 . 2]" 1
827 1 54 THR H 1 54 THR MG . . 3.320 2.200 2.135 2.330 . 0 0 "[ . 1 . 2]" 1
828 1 54 THR H 1 55 ALA H . . 4.750 4.144 4.099 4.235 . 0 0 "[ . 1 . 2]" 1
829 1 54 THR HA 1 54 THR MG . . 3.270 3.179 3.171 3.191 . 0 0 "[ . 1 . 2]" 1
830 1 54 THR HA 1 55 ALA H . . 2.880 2.147 2.145 2.156 . 0 0 "[ . 1 . 2]" 1
831 1 54 THR HA 1 55 ALA HA . . 4.720 4.402 4.400 4.405 . 0 0 "[ . 1 . 2]" 1
832 1 54 THR HA 1 55 ALA MB . . 4.010 3.954 3.898 3.987 . 0 0 "[ . 1 . 2]" 1
833 1 54 THR HB 1 55 ALA H . . 4.110 4.104 4.067 4.120 0.010 8 0 "[ . 1 . 2]" 1
834 1 54 THR MG 1 55 ALA H . . 4.350 4.176 4.126 4.208 . 0 0 "[ . 1 . 2]" 1
835 1 54 THR MG 1 55 ALA HA . . 4.600 4.274 4.175 4.344 . 0 0 "[ . 1 . 2]" 1
836 1 55 ALA H 1 55 ALA MB . . 3.080 2.562 2.474 2.603 . 0 0 "[ . 1 . 2]" 1
837 1 55 ALA H 1 56 PHE H . . 4.550 4.374 4.286 4.432 . 0 0 "[ . 1 . 2]" 1
838 1 55 ALA H 1 57 LEU MD1 . . 5.500 4.884 4.731 5.234 . 0 0 "[ . 1 . 2]" 1
839 1 55 ALA HA 1 56 PHE H . . 2.800 2.211 2.161 2.247 . 0 0 "[ . 1 . 2]" 1
840 1 55 ALA HA 1 56 PHE HA . . 5.050 4.361 4.353 4.374 . 0 0 "[ . 1 . 2]" 1
841 1 55 ALA HA 1 56 PHE HB2 . . 4.530 4.409 4.362 4.468 . 0 0 "[ . 1 . 2]" 1
842 1 55 ALA HA 1 56 PHE QD . . 4.890 4.642 4.556 4.748 . 0 0 "[ . 1 . 2]" 1
843 1 55 ALA HA 1 57 LEU MD1 . . 5.160 5.144 5.038 5.177 0.017 16 0 "[ . 1 . 2]" 1
844 1 55 ALA HA 1 57 LEU MD2 . . 4.890 4.754 4.623 4.872 . 0 0 "[ . 1 . 2]" 1
845 1 55 ALA MB 1 56 PHE H . . 3.200 2.891 2.740 3.058 . 0 0 "[ . 1 . 2]" 1
846 1 55 ALA MB 1 56 PHE QD . . 5.500 5.200 5.105 5.286 . 0 0 "[ . 1 . 2]" 1
847 1 55 ALA MB 1 57 LEU HB3 . . 5.430 5.248 5.093 5.348 . 0 0 "[ . 1 . 2]" 1
848 1 55 ALA MB 1 57 LEU MD1 . . 3.160 2.647 2.491 2.837 . 0 0 "[ . 1 . 2]" 1
849 1 55 ALA MB 1 57 LEU MD2 . . 2.980 2.940 2.857 2.983 0.003 9 0 "[ . 1 . 2]" 1
850 1 56 PHE H 1 56 PHE HB2 . . 3.050 2.321 2.277 2.410 . 0 0 "[ . 1 . 2]" 1
851 1 56 PHE H 1 56 PHE HB3 . . 3.650 3.582 3.554 3.640 . 0 0 "[ . 1 . 2]" 1
852 1 56 PHE H 1 56 PHE QE . . 5.210 5.102 4.904 5.183 . 0 0 "[ . 1 . 2]" 1
853 1 56 PHE H 1 57 LEU MD1 . . 5.500 5.016 4.807 5.137 . 0 0 "[ . 1 . 2]" 1
854 1 56 PHE H 1 57 LEU MD2 . . 4.040 3.832 3.664 3.991 . 0 0 "[ . 1 . 2]" 1
855 1 56 PHE H 1 57 LEU HG . . 4.240 3.902 3.668 4.007 . 0 0 "[ . 1 . 2]" 1
856 1 56 PHE HA 1 56 PHE QD . . 3.720 2.159 2.091 2.260 . 0 0 "[ . 1 . 2]" 1
857 1 56 PHE HA 1 56 PHE QE . . 4.280 4.260 4.221 4.291 0.011 6 0 "[ . 1 . 2]" 1
858 1 56 PHE HA 1 57 LEU H . . 3.040 2.144 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
859 1 56 PHE HA 1 57 LEU MD1 . . 5.150 4.950 4.857 5.052 . 0 0 "[ . 1 . 2]" 1
860 1 56 PHE HB2 1 57 LEU H . . 4.570 4.446 4.370 4.510 . 0 0 "[ . 1 . 2]" 1
861 1 56 PHE HB2 1 57 LEU MD2 . . 4.620 4.583 4.499 4.629 0.009 10 0 "[ . 1 . 2]" 1
862 1 56 PHE HB3 1 57 LEU H . . 3.820 3.593 3.453 3.735 . 0 0 "[ . 1 . 2]" 1
863 1 56 PHE QD 1 57 LEU H . . 4.020 3.591 3.465 3.715 . 0 0 "[ . 1 . 2]" 1
864 1 57 LEU H 1 57 LEU HB2 . . 3.100 2.922 2.824 2.972 . 0 0 "[ . 1 . 2]" 1
865 1 57 LEU H 1 57 LEU MD2 . . 3.890 3.847 3.777 3.900 0.010 6 0 "[ . 1 . 2]" 1
866 1 57 LEU H 1 57 LEU HG . . 3.210 2.856 2.750 2.949 . 0 0 "[ . 1 . 2]" 1
867 1 57 LEU H 1 58 GLY H . . 5.270 4.268 4.168 4.369 . 0 0 "[ . 1 . 2]" 1
868 1 57 LEU H 1 62 ILE MD . . 5.500 5.406 5.275 5.504 0.004 2 0 "[ . 1 . 2]" 1
869 1 57 LEU HA 1 57 LEU MD1 . . 4.110 3.976 3.962 3.984 . 0 0 "[ . 1 . 2]" 1
870 1 57 LEU HA 1 57 LEU MD2 . . 2.990 2.340 2.200 2.484 . 0 0 "[ . 1 . 2]" 1
871 1 57 LEU HA 1 57 LEU HG . . 3.490 3.188 3.172 3.226 . 0 0 "[ . 1 . 2]" 1
872 1 57 LEU HA 1 58 GLY H . . 3.140 2.173 2.148 2.226 . 0 0 "[ . 1 . 2]" 1
873 1 57 LEU HA 1 58 GLY HA3 . . 4.420 4.397 4.386 4.417 . 0 0 "[ . 1 . 2]" 1
874 1 57 LEU HB2 1 57 LEU MD1 . . 3.660 2.156 2.081 2.277 . 0 0 "[ . 1 . 2]" 1
875 1 57 LEU HB2 1 57 LEU MD2 . . 3.230 3.167 3.159 3.177 . 0 0 "[ . 1 . 2]" 1
876 1 57 LEU HB2 1 58 GLY H . . 4.210 3.974 3.799 4.096 . 0 0 "[ . 1 . 2]" 1
877 1 57 LEU HB2 1 61 ASP HB2 . . 4.070 3.589 3.471 3.747 . 0 0 "[ . 1 . 2]" 1
878 1 57 LEU HB2 1 61 ASP HB3 . . 4.070 3.443 3.293 3.664 . 0 0 "[ . 1 . 2]" 1
879 1 57 LEU HB2 1 62 ILE H . . 4.820 4.643 4.490 4.754 . 0 0 "[ . 1 . 2]" 1
880 1 57 LEU HB2 1 62 ILE MD . . 4.820 4.560 4.373 4.648 . 0 0 "[ . 1 . 2]" 1
881 1 57 LEU HB2 1 62 ILE MG . . 4.420 2.489 2.415 2.567 . 0 0 "[ . 1 . 2]" 1
882 1 57 LEU HB3 1 57 LEU MD1 . . 3.610 2.509 2.436 2.558 . 0 0 "[ . 1 . 2]" 1
883 1 57 LEU HB3 1 57 LEU MD2 . . 3.140 2.207 2.124 2.317 . 0 0 "[ . 1 . 2]" 1
884 1 57 LEU HB3 1 58 GLY H . . 3.820 3.199 2.959 3.379 . 0 0 "[ . 1 . 2]" 1
885 1 57 LEU HB3 1 61 ASP HB2 . . 4.450 2.560 2.474 2.675 . 0 0 "[ . 1 . 2]" 1
886 1 57 LEU HB3 1 61 ASP HB3 . . 4.450 2.291 2.179 2.459 . 0 0 "[ . 1 . 2]" 1
887 1 57 LEU MD1 1 61 ASP QB . . 3.990 3.106 2.861 3.317 . 0 0 "[ . 1 . 2]" 1
888 1 57 LEU MD1 1 62 ILE MG . . 4.190 2.724 2.571 2.895 . 0 0 "[ . 1 . 2]" 1
889 1 57 LEU MD2 1 58 GLY H . . 4.140 3.873 3.759 3.974 . 0 0 "[ . 1 . 2]" 1
890 1 57 LEU MD2 1 61 ASP HB2 . . 4.350 4.066 3.933 4.198 . 0 0 "[ . 1 . 2]" 1
891 1 57 LEU MD2 1 61 ASP QB . . 3.790 3.306 3.139 3.460 . 0 0 "[ . 1 . 2]" 1
892 1 57 LEU MD2 1 61 ASP HB3 . . 4.350 3.501 3.282 3.684 . 0 0 "[ . 1 . 2]" 1
893 1 58 GLY H 1 61 ASP H . . 5.500 4.392 4.285 4.511 . 0 0 "[ . 1 . 2]" 1
894 1 58 GLY H 1 61 ASP QB . . 4.800 2.968 2.832 3.080 . 0 0 "[ . 1 . 2]" 1
895 1 58 GLY HA2 1 59 PRO HA . . 4.590 4.387 4.384 4.391 . 0 0 "[ . 1 . 2]" 1
896 1 58 GLY HA3 1 60 LYS H . . 3.910 3.511 3.347 3.741 . 0 0 "[ . 1 . 2]" 1
897 1 58 GLY HA3 1 61 ASP H . . 4.350 3.812 3.733 3.901 . 0 0 "[ . 1 . 2]" 1
898 1 58 GLY HA3 1 62 ILE H . . 5.500 5.252 5.190 5.312 . 0 0 "[ . 1 . 2]" 1
899 1 59 PRO HA 1 61 ASP H . . 4.280 3.708 3.623 3.812 . 0 0 "[ . 1 . 2]" 1
900 1 59 PRO HA 1 62 ILE H . . 4.090 3.281 3.260 3.305 . 0 0 "[ . 1 . 2]" 1
901 1 59 PRO HA 1 62 ILE HB . . 4.880 4.736 4.730 4.749 . 0 0 "[ . 1 . 2]" 1
902 1 59 PRO HA 1 62 ILE MD . . 3.440 2.224 2.136 2.321 . 0 0 "[ . 1 . 2]" 1
903 1 59 PRO HA 1 62 ILE HG12 . . 3.800 1.990 1.978 2.016 . 0 0 "[ . 1 . 2]" 1
904 1 59 PRO HA 1 62 ILE QG . . 3.320 1.937 1.931 1.954 . 0 0 "[ . 1 . 2]" 1
905 1 59 PRO HA 1 62 ILE HG13 . . 3.800 2.665 2.621 2.725 . 0 0 "[ . 1 . 2]" 1
906 1 59 PRO HA 1 62 ILE MG . . 4.180 3.850 3.802 3.905 . 0 0 "[ . 1 . 2]" 1
907 1 59 PRO HB2 1 61 ASP H . . 5.230 4.862 4.817 4.889 . 0 0 "[ . 1 . 2]" 1
908 1 59 PRO HB2 1 62 ILE H . . 5.500 5.177 5.099 5.244 . 0 0 "[ . 1 . 2]" 1
909 1 59 PRO HB2 1 62 ILE MD . . 4.370 4.221 4.180 4.277 . 0 0 "[ . 1 . 2]" 1
910 1 59 PRO HB3 1 60 LYS H . . 4.540 4.076 3.951 4.167 . 0 0 "[ . 1 . 2]" 1
911 1 59 PRO HB3 1 61 ASP H . . 5.500 5.414 5.407 5.421 . 0 0 "[ . 1 . 2]" 1
912 1 59 PRO HB3 1 62 ILE H . . 5.450 5.483 5.468 5.505 0.055 3 0 "[ . 1 . 2]" 1
913 1 59 PRO HB3 1 62 ILE MD . . 4.240 3.381 3.306 3.436 . 0 0 "[ . 1 . 2]" 1
914 1 60 LYS H 1 60 LYS QB . . 3.150 2.377 2.163 2.621 . 0 0 "[ . 1 . 2]" 1
915 1 60 LYS H 1 60 LYS QD . . 4.970 3.787 2.265 4.362 . 0 0 "[ . 1 . 2]" 1
916 1 60 LYS H 1 60 LYS HG2 . . 4.470 3.315 2.582 4.252 . 0 0 "[ . 1 . 2]" 1
917 1 60 LYS H 1 60 LYS QG . . 3.730 2.528 1.958 3.508 . 0 0 "[ . 1 . 2]" 1
918 1 60 LYS H 1 60 LYS HG3 . . 4.470 2.788 1.985 3.773 . 0 0 "[ . 1 . 2]" 1
919 1 60 LYS H 1 61 ASP H . . 3.500 2.571 2.529 2.631 . 0 0 "[ . 1 . 2]" 1
920 1 60 LYS H 1 61 ASP HA . . 5.500 5.150 5.087 5.217 . 0 0 "[ . 1 . 2]" 1
921 1 60 LYS H 1 61 ASP QB . . 5.340 4.313 4.187 4.445 . 0 0 "[ . 1 . 2]" 1
922 1 60 LYS H 1 62 ILE H . . 5.300 4.168 4.108 4.220 . 0 0 "[ . 1 . 2]" 1
923 1 60 LYS HA 1 60 LYS QD . . 4.480 3.461 2.194 4.222 . 0 0 "[ . 1 . 2]" 1
924 1 60 LYS HA 1 60 LYS HG2 . . 3.820 2.718 2.401 3.537 . 0 0 "[ . 1 . 2]" 1
925 1 60 LYS HA 1 60 LYS QG . . 3.190 2.420 2.147 2.643 . 0 0 "[ . 1 . 2]" 1
926 1 60 LYS HA 1 60 LYS HG3 . . 3.820 3.130 2.168 3.721 . 0 0 "[ . 1 . 2]" 1
927 1 60 LYS HA 1 62 ILE H . . 4.560 4.280 4.162 4.437 . 0 0 "[ . 1 . 2]" 1
928 1 60 LYS QB 1 60 LYS QD . . 2.650 2.243 2.065 2.563 . 0 0 "[ . 1 . 2]" 1
929 1 60 LYS QB 1 60 LYS QE . . 3.690 2.395 1.983 3.625 . 0 0 "[ . 1 . 2]" 1
930 1 60 LYS QB 1 60 LYS QG . . 2.290 2.057 2.017 2.087 . 0 0 "[ . 1 . 2]" 1
931 1 60 LYS QB 1 61 ASP H . . 3.750 3.199 3.074 3.321 . 0 0 "[ . 1 . 2]" 1
932 1 60 LYS QB 1 61 ASP HA . . 4.800 4.075 4.028 4.138 . 0 0 "[ . 1 . 2]" 1
933 1 60 LYS QD 1 60 LYS QG . . 2.340 2.028 2.017 2.066 . 0 0 "[ . 1 . 2]" 1
934 1 60 LYS QE 1 60 LYS QG . . 3.050 2.303 2.089 2.663 . 0 0 "[ . 1 . 2]" 1
935 1 61 ASP H 1 61 ASP HB2 . . 3.520 2.252 2.214 2.305 . 0 0 "[ . 1 . 2]" 1
936 1 61 ASP H 1 61 ASP QB . . 2.860 2.227 2.190 2.275 . 0 0 "[ . 1 . 2]" 1
937 1 61 ASP H 1 61 ASP HB3 . . 3.520 3.499 3.469 3.515 . 0 0 "[ . 1 . 2]" 1
938 1 61 ASP H 1 62 ILE H . . 3.360 2.164 2.032 2.284 . 0 0 "[ . 1 . 2]" 1
939 1 61 ASP H 1 62 ILE MD . . 4.960 4.832 4.715 4.922 . 0 0 "[ . 1 . 2]" 1
940 1 61 ASP H 1 62 ILE QG . . 3.750 3.310 3.177 3.419 . 0 0 "[ . 1 . 2]" 1
941 1 61 ASP H 1 62 ILE MG . . 4.130 4.131 4.024 4.152 0.022 15 0 "[ . 1 . 2]" 1
942 1 61 ASP H 1 63 PHE QD . . 5.500 5.512 5.488 5.528 0.028 17 0 "[ . 1 . 2]" 1
943 1 61 ASP HA 1 63 PHE QD . . 4.370 4.345 4.301 4.375 0.005 6 0 "[ . 1 . 2]" 1
944 1 61 ASP QB 1 62 ILE H . . 3.980 2.896 2.808 2.970 . 0 0 "[ . 1 . 2]" 1
945 1 61 ASP QB 1 62 ILE MG . . 4.390 3.144 3.054 3.227 . 0 0 "[ . 1 . 2]" 1
946 1 61 ASP HB2 1 62 ILE H . . 4.640 3.074 2.984 3.173 . 0 0 "[ . 1 . 2]" 1
947 1 61 ASP HB3 1 62 ILE H . . 4.640 3.537 3.420 3.624 . 0 0 "[ . 1 . 2]" 1
948 1 62 ILE H 1 62 ILE HB . . 3.660 3.658 3.646 3.667 0.007 9 0 "[ . 1 . 2]" 1
949 1 62 ILE H 1 62 ILE MD . . 3.660 3.653 3.644 3.668 0.008 10 0 "[ . 1 . 2]" 1
950 1 62 ILE H 1 62 ILE HG12 . . 3.380 1.954 1.942 1.980 . 0 0 "[ . 1 . 2]" 1
951 1 62 ILE H 1 62 ILE QG . . 2.950 1.916 1.908 1.935 . 0 0 "[ . 1 . 2]" 1
952 1 62 ILE H 1 62 ILE HG13 . . 3.380 2.771 2.721 2.823 . 0 0 "[ . 1 . 2]" 1
953 1 62 ILE H 1 62 ILE MG . . 3.560 2.743 2.660 2.826 . 0 0 "[ . 1 . 2]" 1
954 1 62 ILE H 1 63 PHE H . . 5.040 4.529 4.506 4.561 . 0 0 "[ . 1 . 2]" 1
955 1 62 ILE H 1 63 PHE QD . . 4.660 4.437 4.366 4.493 . 0 0 "[ . 1 . 2]" 1
956 1 62 ILE H 1 63 PHE QE . . 5.500 5.494 5.434 5.529 0.029 15 0 "[ . 1 . 2]" 1
957 1 62 ILE HA 1 62 ILE MD . . 4.300 4.180 4.175 4.182 . 0 0 "[ . 1 . 2]" 1
958 1 62 ILE HA 1 63 PHE H . . 3.520 2.187 2.176 2.216 . 0 0 "[ . 1 . 2]" 1
959 1 62 ILE HB 1 62 ILE MD . . 3.680 2.414 2.348 2.451 . 0 0 "[ . 1 . 2]" 1
960 1 62 ILE HB 1 63 PHE H . . 3.970 3.034 2.911 3.091 . 0 0 "[ . 1 . 2]" 1
961 1 62 ILE MD 1 62 ILE MG . . 3.390 1.990 1.924 2.151 . 0 0 "[ . 1 . 2]" 1
962 1 62 ILE MD 1 63 PHE H . . 5.030 4.838 4.706 4.907 . 0 0 "[ . 1 . 2]" 1
963 1 62 ILE MG 1 63 PHE H . . 3.910 3.803 3.739 3.841 . 0 0 "[ . 1 . 2]" 1
964 1 63 PHE H 1 63 PHE HB2 . . 3.780 2.420 2.385 2.463 . 0 0 "[ . 1 . 2]" 1
965 1 63 PHE H 1 63 PHE HB3 . . 3.890 3.533 3.520 3.553 . 0 0 "[ . 1 . 2]" 1
966 1 63 PHE H 1 63 PHE QD . . 3.540 3.261 3.208 3.308 . 0 0 "[ . 1 . 2]" 1
967 1 63 PHE HA 1 63 PHE QD . . 3.800 2.972 2.937 2.989 . 0 0 "[ . 1 . 2]" 1
968 1 63 PHE HA 1 63 PHE QE . . 4.670 4.461 4.446 4.469 . 0 0 "[ . 1 . 2]" 1
969 1 63 PHE HB3 1 67 GLU H . . 5.500 5.230 5.122 5.426 . 0 0 "[ . 1 . 2]" 1
970 1 63 PHE HB3 1 67 GLU QB . . 4.950 3.826 3.661 4.117 . 0 0 "[ . 1 . 2]" 1
971 1 63 PHE QD 1 64 PRO HB2 . . 5.500 5.588 5.582 5.595 0.095 15 0 "[ . 1 . 2]" 1
972 1 64 PRO HA 1 65 TYR H . . 2.700 2.157 2.152 2.163 . 0 0 "[ . 1 . 2]" 1
973 1 64 PRO HA 1 65 TYR HA . . 4.430 4.375 4.366 4.388 . 0 0 "[ . 1 . 2]" 1
974 1 64 PRO HA 1 66 SER H . . 3.550 3.552 3.500 3.581 0.031 7 0 "[ . 1 . 2]" 1
975 1 64 PRO HB2 1 65 TYR H . . 3.810 3.509 3.445 3.588 . 0 0 "[ . 1 . 2]" 1
976 1 64 PRO HB3 1 65 TYR H . . 4.250 3.985 3.942 4.039 . 0 0 "[ . 1 . 2]" 1
977 1 64 PRO HB3 1 66 SER H . . 5.230 3.944 3.921 3.965 . 0 0 "[ . 1 . 2]" 1
978 1 64 PRO HB3 1 66 SER QB . . 5.340 4.164 4.051 4.424 . 0 0 "[ . 1 . 2]" 1
979 1 65 TYR H 1 65 TYR QD . . 3.560 2.504 2.342 2.645 . 0 0 "[ . 1 . 2]" 1
980 1 65 TYR H 1 65 TYR QE . . 5.500 4.805 4.667 4.956 . 0 0 "[ . 1 . 2]" 1
981 1 65 TYR H 1 66 SER H . . 4.780 2.615 2.604 2.636 . 0 0 "[ . 1 . 2]" 1
982 1 65 TYR H 1 66 SER QB . . 4.660 4.333 4.298 4.393 . 0 0 "[ . 1 . 2]" 1
983 1 65 TYR H 1 88 ILE MD . . 5.500 5.161 5.047 5.364 . 0 0 "[ . 1 . 2]" 1
984 1 65 TYR HA 1 65 TYR QD . . 3.770 3.666 3.640 3.689 . 0 0 "[ . 1 . 2]" 1
985 1 65 TYR HA 1 68 ASN HA . . 5.220 5.240 5.150 5.305 0.085 15 0 "[ . 1 . 2]" 1
986 1 65 TYR HA 1 69 LYS H . . 4.540 3.436 3.298 3.631 . 0 0 "[ . 1 . 2]" 1
987 1 65 TYR HA 1 88 ILE MD . . 5.320 4.841 4.677 5.186 . 0 0 "[ . 1 . 2]" 1
988 1 65 TYR QB 1 66 SER H . . 4.370 3.626 3.595 3.657 . 0 0 "[ . 1 . 2]" 1
989 1 65 TYR QB 1 88 ILE MD . . 4.250 2.756 2.607 3.067 . 0 0 "[ . 1 . 2]" 1
990 1 65 TYR QD 1 66 SER H . . 3.940 2.869 2.705 2.956 . 0 0 "[ . 1 . 2]" 1
991 1 65 TYR QD 1 66 SER HA . . 4.340 3.971 3.843 4.004 . 0 0 "[ . 1 . 2]" 1
992 1 65 TYR QD 1 66 SER QB . . 3.600 3.608 3.374 3.635 0.035 15 0 "[ . 1 . 2]" 1
993 1 65 TYR QD 1 69 LYS H . . 5.020 3.916 3.715 4.089 . 0 0 "[ . 1 . 2]" 1
994 1 65 TYR QD 1 69 LYS HA . . 4.440 4.349 4.277 4.425 . 0 0 "[ . 1 . 2]" 1
995 1 65 TYR QD 1 69 LYS HB2 . . 4.010 3.439 3.167 3.717 . 0 0 "[ . 1 . 2]" 1
996 1 65 TYR QD 1 69 LYS QG . . 5.140 3.730 2.998 4.290 . 0 0 "[ . 1 . 2]" 1
997 1 65 TYR QD 1 73 GLY HA2 . . 5.500 5.570 5.543 5.587 0.087 14 0 "[ . 1 . 2]" 1
998 1 65 TYR QD 1 88 ILE MD . . 3.340 3.089 2.742 3.379 0.039 14 0 "[ . 1 . 2]" 1
999 1 65 TYR QD 1 88 ILE MG . . 3.750 3.513 3.248 3.729 . 0 0 "[ . 1 . 2]" 1
1000 1 65 TYR QE 1 66 SER HA . . 4.700 4.096 3.958 4.153 . 0 0 "[ . 1 . 2]" 1
1001 1 65 TYR QE 1 66 SER QB . . 4.560 3.716 3.476 3.757 . 0 0 "[ . 1 . 2]" 1
1002 1 65 TYR QE 1 69 LYS HA . . 5.500 5.390 5.249 5.514 0.014 10 0 "[ . 1 . 2]" 1
1003 1 65 TYR QE 1 69 LYS HB2 . . 3.990 3.477 3.198 3.690 . 0 0 "[ . 1 . 2]" 1
1004 1 65 TYR QE 1 69 LYS QG . . 5.340 3.775 2.803 4.302 . 0 0 "[ . 1 . 2]" 1
1005 1 65 TYR QE 1 88 ILE MD . . 4.510 4.183 3.961 4.410 . 0 0 "[ . 1 . 2]" 1
1006 1 65 TYR QE 1 88 ILE MG . . 3.680 3.496 3.210 3.690 0.010 9 0 "[ . 1 . 2]" 1
1007 1 66 SER H 1 66 SER QB . . 3.130 2.215 2.198 2.263 . 0 0 "[ . 1 . 2]" 1
1008 1 66 SER H 1 67 GLU QB . . 5.170 4.363 4.240 4.506 . 0 0 "[ . 1 . 2]" 1
1009 1 66 SER H 1 68 ASN H . . 5.500 4.121 4.020 4.226 . 0 0 "[ . 1 . 2]" 1
1010 1 66 SER HA 1 67 GLU HA . . 4.600 4.624 4.610 4.639 0.039 13 0 "[ . 1 . 2]" 1
1011 1 66 SER HA 1 68 ASN H . . 4.510 4.478 4.272 4.553 0.043 11 0 "[ . 1 . 2]" 1
1012 1 66 SER HA 1 69 LYS H . . 4.320 3.930 3.763 4.068 . 0 0 "[ . 1 . 2]" 1
1013 1 66 SER HA 1 69 LYS HB2 . . 5.080 4.753 4.603 4.891 . 0 0 "[ . 1 . 2]" 1
1014 1 66 SER HA 1 69 LYS QG . . 3.990 2.204 1.983 2.466 . 0 0 "[ . 1 . 2]" 1
1015 1 66 SER QB 1 67 GLU H . . 4.020 3.201 3.049 3.627 . 0 0 "[ . 1 . 2]" 1
1016 1 67 GLU H 1 67 GLU HB2 . . 3.590 2.340 2.244 2.454 . 0 0 "[ . 1 . 2]" 1
1017 1 67 GLU H 1 67 GLU QB . . 3.080 2.277 2.220 2.322 . 0 0 "[ . 1 . 2]" 1
1018 1 67 GLU H 1 67 GLU HB3 . . 3.590 3.286 2.839 3.597 0.007 1 0 "[ . 1 . 2]" 1
1019 1 67 GLU H 1 68 ASN H . . 3.370 2.201 2.158 2.258 . 0 0 "[ . 1 . 2]" 1
1020 1 67 GLU H 1 68 ASN QB . . 4.290 4.284 4.229 4.306 0.016 11 0 "[ . 1 . 2]" 1
1021 1 67 GLU H 1 69 LYS H . . 5.270 3.765 3.694 3.864 . 0 0 "[ . 1 . 2]" 1
1022 1 67 GLU HA 1 67 GLU HG2 . . 4.130 2.819 2.243 3.650 . 0 0 "[ . 1 . 2]" 1
1023 1 67 GLU HA 1 67 GLU QG . . 3.540 2.433 2.181 2.795 . 0 0 "[ . 1 . 2]" 1
1024 1 67 GLU HA 1 67 GLU HG3 . . 4.130 3.019 2.413 3.701 . 0 0 "[ . 1 . 2]" 1
1025 1 67 GLU HA 1 69 LYS H . . 4.880 4.720 4.585 4.917 0.037 16 0 "[ . 1 . 2]" 1
1026 1 67 GLU QB 1 68 ASN H . . 3.200 2.767 2.658 2.914 . 0 0 "[ . 1 . 2]" 1
1027 1 67 GLU QB 1 69 LYS H . . 5.340 4.813 4.725 4.866 . 0 0 "[ . 1 . 2]" 1
1028 1 67 GLU HB2 1 68 ASN H . . 3.660 3.196 2.802 3.649 . 0 0 "[ . 1 . 2]" 1
1029 1 67 GLU HB3 1 68 ASN H . . 3.660 3.265 2.734 3.621 . 0 0 "[ . 1 . 2]" 1
1030 1 68 ASN H 1 68 ASN QB . . 2.820 2.425 2.400 2.471 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ASN H 1 69 LYS H . . 2.870 2.428 2.326 2.509 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ASN H 1 69 LYS HA . . 5.260 5.062 4.976 5.130 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ASN H 1 69 LYS QG . . 4.970 3.957 3.756 4.081 . 0 0 "[ . 1 . 2]" 1
1034 1 68 ASN HA 1 71 LYS H . . 3.680 3.131 3.095 3.176 . 0 0 "[ . 1 . 2]" 1
1035 1 68 ASN HA 1 71 LYS HA . . 5.110 4.995 4.950 5.034 . 0 0 "[ . 1 . 2]" 1
1036 1 68 ASN HA 1 71 LYS HB2 . . 4.160 2.524 2.271 2.697 . 0 0 "[ . 1 . 2]" 1
1037 1 68 ASN HA 1 71 LYS HB3 . . 4.330 4.058 3.834 4.160 . 0 0 "[ . 1 . 2]" 1
1038 1 68 ASN HA 1 71 LYS QG . . 4.090 2.594 2.225 3.115 . 0 0 "[ . 1 . 2]" 1
1039 1 68 ASN HA 1 72 TYR H . . 4.890 4.264 4.132 4.343 . 0 0 "[ . 1 . 2]" 1
1040 1 68 ASN HA 1 72 TYR QD . . 4.740 4.692 4.507 4.750 0.010 13 0 "[ . 1 . 2]" 1
1041 1 68 ASN HA 1 73 GLY H . . 5.500 4.982 4.901 5.046 . 0 0 "[ . 1 . 2]" 1
1042 1 68 ASN QB 1 69 LYS H . . 3.570 2.525 2.388 2.606 . 0 0 "[ . 1 . 2]" 1
1043 1 68 ASN QB 1 69 LYS HA . . 4.510 3.857 3.830 3.873 . 0 0 "[ . 1 . 2]" 1
1044 1 68 ASN QB 1 71 LYS H . . 4.730 4.395 4.364 4.443 . 0 0 "[ . 1 . 2]" 1
1045 1 68 ASN QB 1 72 TYR H . . 4.400 4.534 4.465 4.589 0.189 8 0 "[ . 1 . 2]" 1
1046 1 68 ASN QB 1 72 TYR QD . . 4.070 3.999 3.909 4.061 . 0 0 "[ . 1 . 2]" 1
1047 1 68 ASN QB 1 72 TYR QE . . 5.260 4.062 3.708 4.294 . 0 0 "[ . 1 . 2]" 1
1048 1 68 ASN HB2 1 69 LYS HA . . 5.300 4.242 4.192 4.281 . 0 0 "[ . 1 . 2]" 1
1049 1 68 ASN HB3 1 69 LYS HA . . 5.300 4.432 4.368 4.524 . 0 0 "[ . 1 . 2]" 1
1050 1 69 LYS H 1 69 LYS HB2 . . 3.790 3.559 3.548 3.573 . 0 0 "[ . 1 . 2]" 1
1051 1 69 LYS H 1 69 LYS QG . . 3.470 2.493 2.388 2.613 . 0 0 "[ . 1 . 2]" 1
1052 1 69 LYS H 1 70 GLU H . . 4.960 2.704 2.690 2.722 . 0 0 "[ . 1 . 2]" 1
1053 1 69 LYS H 1 71 LYS H . . 4.070 4.021 3.989 4.049 . 0 0 "[ . 1 . 2]" 1
1054 1 69 LYS H 1 73 GLY H . . 5.250 4.906 4.798 4.973 . 0 0 "[ . 1 . 2]" 1
1055 1 69 LYS HA 1 70 GLU HA . . 4.930 4.669 4.657 4.682 . 0 0 "[ . 1 . 2]" 1
1056 1 69 LYS HA 1 71 LYS H . . 4.150 3.998 3.986 4.013 . 0 0 "[ . 1 . 2]" 1
1057 1 69 LYS HA 1 73 GLY H . . 3.990 2.831 2.737 2.916 . 0 0 "[ . 1 . 2]" 1
1058 1 69 LYS HA 1 73 GLY HA2 . . 4.180 1.947 1.925 1.968 . 0 0 "[ . 1 . 2]" 1
1059 1 69 LYS HB2 1 70 GLU H . . 4.150 4.103 4.057 4.139 . 0 0 "[ . 1 . 2]" 1
1060 1 69 LYS HB2 1 70 GLU HA . . 4.830 4.816 4.770 4.864 0.034 3 0 "[ . 1 . 2]" 1
1061 1 69 LYS HB2 1 71 LYS H . . 5.500 5.550 5.516 5.573 0.073 1 0 "[ . 1 . 2]" 1
1062 1 69 LYS HB2 1 73 GLY HA3 . . 4.630 4.462 4.404 4.500 . 0 0 "[ . 1 . 2]" 1
1063 1 69 LYS QG 1 70 GLU QG . . 5.050 4.121 3.420 4.770 . 0 0 "[ . 1 . 2]" 1
1064 1 69 LYS HG2 1 73 GLY HA2 . . 5.500 5.518 5.399 5.566 0.066 3 0 "[ . 1 . 2]" 1
1065 1 69 LYS HG3 1 73 GLY HA2 . . 5.500 4.946 4.703 5.078 . 0 0 "[ . 1 . 2]" 1
1066 1 70 GLU H 1 70 GLU QB . . 3.190 2.422 2.257 2.643 . 0 0 "[ . 1 . 2]" 1
1067 1 70 GLU H 1 70 GLU QG . . 4.030 3.269 2.143 4.048 0.018 13 0 "[ . 1 . 2]" 1
1068 1 70 GLU H 1 71 LYS H . . 3.470 2.315 2.284 2.351 . 0 0 "[ . 1 . 2]" 1
1069 1 70 GLU H 1 73 GLY HA2 . . 5.320 4.923 4.820 5.013 . 0 0 "[ . 1 . 2]" 1
1070 1 70 GLU HA 1 70 GLU QB . . 2.590 2.307 2.179 2.473 . 0 0 "[ . 1 . 2]" 1
1071 1 70 GLU HA 1 70 GLU QG . . 3.620 2.804 2.147 3.339 . 0 0 "[ . 1 . 2]" 1
1072 1 70 GLU QB 1 71 LYS H . . 4.120 3.302 3.038 3.683 . 0 0 "[ . 1 . 2]" 1
1073 1 70 GLU QB 1 71 LYS HA . . 4.720 4.296 4.007 4.514 . 0 0 "[ . 1 . 2]" 1
1074 1 70 GLU HB2 1 71 LYS H . . 4.760 4.099 3.903 4.214 . 0 0 "[ . 1 . 2]" 1
1075 1 70 GLU HB3 1 71 LYS H . . 4.760 3.547 3.134 4.156 . 0 0 "[ . 1 . 2]" 1
1076 1 70 GLU QG 1 71 LYS H . . 4.380 3.492 2.463 4.373 . 0 0 "[ . 1 . 2]" 1
1077 1 70 GLU QG 1 71 LYS HA . . 5.110 3.779 3.264 4.551 . 0 0 "[ . 1 . 2]" 1
1078 1 71 LYS H 1 71 LYS HB2 . . 3.120 2.265 2.134 2.381 . 0 0 "[ . 1 . 2]" 1
1079 1 71 LYS H 1 71 LYS HB3 . . 3.660 3.526 3.428 3.586 . 0 0 "[ . 1 . 2]" 1
1080 1 71 LYS H 1 71 LYS QE . . 5.230 4.800 4.030 5.240 0.010 17 0 "[ . 1 . 2]" 1
1081 1 71 LYS H 1 71 LYS HG2 . . 4.130 2.913 2.564 3.880 . 0 0 "[ . 1 . 2]" 1
1082 1 71 LYS H 1 71 LYS QG . . 3.360 2.769 2.508 3.137 . 0 0 "[ . 1 . 2]" 1
1083 1 71 LYS H 1 71 LYS HG3 . . 4.130 3.619 3.169 4.114 . 0 0 "[ . 1 . 2]" 1
1084 1 71 LYS H 1 72 TYR H . . 3.080 2.726 2.690 2.756 . 0 0 "[ . 1 . 2]" 1
1085 1 71 LYS H 1 72 TYR QD . . 5.500 4.840 4.727 4.925 . 0 0 "[ . 1 . 2]" 1
1086 1 71 LYS H 1 73 GLY H . . 4.010 3.538 3.471 3.594 . 0 0 "[ . 1 . 2]" 1
1087 1 71 LYS HA 1 71 LYS HB3 . . 2.840 2.609 2.524 2.723 . 0 0 "[ . 1 . 2]" 1
1088 1 71 LYS HA 1 71 LYS QD . . 3.620 2.709 1.983 3.761 0.141 15 0 "[ . 1 . 2]" 1
1089 1 71 LYS HA 1 71 LYS QE . . 4.250 3.373 1.991 4.386 0.136 15 0 "[ . 1 . 2]" 1
1090 1 71 LYS HA 1 71 LYS HG2 . . 3.880 2.518 2.184 2.823 . 0 0 "[ . 1 . 2]" 1
1091 1 71 LYS HA 1 71 LYS QG . . 3.250 2.473 2.137 2.741 . 0 0 "[ . 1 . 2]" 1
1092 1 71 LYS HA 1 71 LYS HG3 . . 3.880 3.638 3.031 3.739 . 0 0 "[ . 1 . 2]" 1
1093 1 71 LYS HB2 1 71 LYS QE . . 4.230 3.403 2.223 3.774 . 0 0 "[ . 1 . 2]" 1
1094 1 71 LYS HB2 1 72 TYR H . . 3.200 2.367 2.221 2.592 . 0 0 "[ . 1 . 2]" 1
1095 1 71 LYS HB2 1 72 TYR QD . . 5.500 3.377 3.079 3.852 . 0 0 "[ . 1 . 2]" 1
1096 1 71 LYS HB2 1 72 TYR QE . . 3.830 3.456 3.286 3.740 . 0 0 "[ . 1 . 2]" 1
1097 1 71 LYS HB2 1 73 GLY H . . 3.990 3.791 3.641 4.002 0.012 16 0 "[ . 1 . 2]" 1
1098 1 71 LYS HB3 1 71 LYS QE . . 3.130 2.399 2.153 2.658 . 0 0 "[ . 1 . 2]" 1
1099 1 71 LYS HB3 1 72 TYR H . . 3.270 2.951 2.701 3.158 . 0 0 "[ . 1 . 2]" 1
1100 1 71 LYS HB3 1 72 TYR HA . . 4.600 4.495 4.338 4.620 0.020 11 0 "[ . 1 . 2]" 1
1101 1 71 LYS HB3 1 72 TYR QD . . 3.850 3.285 3.095 3.424 . 0 0 "[ . 1 . 2]" 1
1102 1 71 LYS HB3 1 72 TYR QE . . 3.810 3.042 2.971 3.110 . 0 0 "[ . 1 . 2]" 1
1103 1 71 LYS QE 1 71 LYS QG . . 3.130 2.385 2.015 2.734 . 0 0 "[ . 1 . 2]" 1
1104 1 71 LYS QE 1 72 TYR H . . 5.130 4.806 4.122 5.128 . 0 0 "[ . 1 . 2]" 1
1105 1 71 LYS QE 1 72 TYR QD . . 4.560 4.129 3.434 4.470 . 0 0 "[ . 1 . 2]" 1
1106 1 71 LYS QE 1 72 TYR QE . . 3.980 3.001 2.140 3.571 . 0 0 "[ . 1 . 2]" 1
1107 1 71 LYS QG 1 72 TYR H . . 4.670 4.065 3.949 4.217 . 0 0 "[ . 1 . 2]" 1
1108 1 72 TYR H 1 72 TYR HB2 . . 3.680 3.127 3.096 3.176 . 0 0 "[ . 1 . 2]" 1
1109 1 72 TYR H 1 72 TYR HB3 . . 4.070 3.843 3.819 3.860 . 0 0 "[ . 1 . 2]" 1
1110 1 72 TYR H 1 72 TYR QD . . 3.080 2.814 2.724 2.966 . 0 0 "[ . 1 . 2]" 1
1111 1 72 TYR H 1 72 TYR QE . . 5.500 4.252 4.185 4.317 . 0 0 "[ . 1 . 2]" 1
1112 1 72 TYR H 1 73 GLY H . . 2.880 1.741 1.731 1.751 . 0 0 "[ . 1 . 2]" 1
1113 1 72 TYR H 1 73 GLY HA2 . . 4.400 3.999 3.983 4.016 . 0 0 "[ . 1 . 2]" 1
1114 1 72 TYR HA 1 72 TYR QD . . 3.230 3.127 3.077 3.193 . 0 0 "[ . 1 . 2]" 1
1115 1 72 TYR HA 1 72 TYR QE . . 5.060 5.069 5.025 5.121 0.061 13 0 "[ . 1 . 2]" 1
1116 1 72 TYR HA 1 73 GLY H . . 3.570 3.456 3.446 3.464 . 0 0 "[ . 1 . 2]" 1
1117 1 72 TYR HA 1 73 GLY HA2 . . 5.500 5.230 5.219 5.242 . 0 0 "[ . 1 . 2]" 1
1118 1 72 TYR HA 1 73 GLY HA3 . . 4.850 4.546 4.538 4.556 . 0 0 "[ . 1 . 2]" 1
1119 1 72 TYR HB2 1 73 GLY H . . 3.760 3.144 3.089 3.214 . 0 0 "[ . 1 . 2]" 1
1120 1 72 TYR HB2 1 74 LYS H . . 4.400 2.227 2.202 2.253 . 0 0 "[ . 1 . 2]" 1
1121 1 72 TYR HB3 1 73 GLY H . . 4.310 4.284 4.251 4.322 0.012 16 0 "[ . 1 . 2]" 1
1122 1 72 TYR QD 1 73 GLY H . . 3.780 3.389 3.278 3.475 . 0 0 "[ . 1 . 2]" 1
1123 1 73 GLY H 1 73 GLY HA3 . . 2.860 2.867 2.863 2.871 0.011 5 0 "[ . 1 . 2]" 1
1124 1 73 GLY H 1 74 LYS H . . 3.680 2.849 2.842 2.891 . 0 0 "[ . 1 . 2]" 1
1125 1 73 GLY H 1 85 LEU MD1 . . 5.500 5.436 5.214 5.579 0.079 11 0 "[ . 1 . 2]" 1
1126 1 73 GLY HA2 1 74 LYS H . . 3.490 3.408 3.401 3.427 . 0 0 "[ . 1 . 2]" 1
1127 1 73 GLY HA2 1 85 LEU MD1 . . 4.570 4.279 3.894 4.518 . 0 0 "[ . 1 . 2]" 1
1128 1 73 GLY HA3 1 74 LYS H . . 3.410 3.115 3.085 3.124 . 0 0 "[ . 1 . 2]" 1
1129 1 73 GLY HA3 1 85 LEU MD1 . . 4.990 4.780 4.507 5.009 0.019 11 0 "[ . 1 . 2]" 1
1130 1 74 LYS H 1 85 LEU MD1 . . 4.360 4.239 4.125 4.372 0.012 17 0 "[ . 1 . 2]" 1
1131 1 74 LYS H 1 85 LEU MD2 . . 4.800 4.433 4.218 4.808 0.008 19 0 "[ . 1 . 2]" 1
1132 1 75 PRO HA 1 76 ASN H . . 2.530 2.215 2.179 2.252 . 0 0 "[ . 1 . 2]" 1
1133 1 75 PRO HA 1 76 ASN QB . . 4.500 4.029 4.003 4.058 . 0 0 "[ . 1 . 2]" 1
1134 1 75 PRO HA 1 78 ARG QG . . 4.750 3.923 2.703 4.456 . 0 0 "[ . 1 . 2]" 1
1135 1 75 PRO HB2 1 76 ASN H . . 3.720 3.178 3.040 3.347 . 0 0 "[ . 1 . 2]" 1
1136 1 75 PRO HB2 1 78 ARG H . . 3.780 2.557 2.466 2.675 . 0 0 "[ . 1 . 2]" 1
1137 1 75 PRO HB2 1 78 ARG HA . . 4.620 4.482 4.334 4.610 . 0 0 "[ . 1 . 2]" 1
1138 1 75 PRO HB2 1 78 ARG QD . . 5.340 4.373 2.412 5.238 . 0 0 "[ . 1 . 2]" 1
1139 1 75 PRO HB3 1 76 ASN H . . 3.960 3.772 3.688 3.878 . 0 0 "[ . 1 . 2]" 1
1140 1 75 PRO HB3 1 81 PHE HB3 . . 4.600 4.522 4.155 4.667 0.067 14 0 "[ . 1 . 2]" 1
1141 1 75 PRO QD 1 81 PHE HA . . 4.190 3.278 2.952 3.968 . 0 0 "[ . 1 . 2]" 1
1142 1 75 PRO HD2 1 81 PHE HA . . 5.070 3.487 3.090 4.348 . 0 0 "[ . 1 . 2]" 1
1143 1 75 PRO HD3 1 81 PHE HA . . 5.070 4.013 3.720 4.581 . 0 0 "[ . 1 . 2]" 1
1144 1 75 PRO QG 1 81 PHE HB2 . . 4.320 2.378 1.968 2.563 . 0 0 "[ . 1 . 2]" 1
1145 1 75 PRO QG 1 81 PHE HB3 . . 4.400 2.075 1.963 2.343 . 0 0 "[ . 1 . 2]" 1
1146 1 75 PRO QG 1 82 ASN H . . 4.500 3.481 3.020 3.769 . 0 0 "[ . 1 . 2]" 1
1147 1 76 ASN H 1 76 ASN HB2 . . 3.420 2.465 2.224 2.980 . 0 0 "[ . 1 . 2]" 1
1148 1 76 ASN H 1 76 ASN QB . . 2.850 2.286 2.194 2.375 . 0 0 "[ . 1 . 2]" 1
1149 1 76 ASN H 1 76 ASN HB3 . . 3.420 2.981 2.392 3.394 . 0 0 "[ . 1 . 2]" 1
1150 1 76 ASN H 1 77 LYS H . . 4.650 2.432 2.409 2.474 . 0 0 "[ . 1 . 2]" 1
1151 1 76 ASN H 1 77 LYS HA . . 4.960 4.897 4.886 4.904 . 0 0 "[ . 1 . 2]" 1
1152 1 76 ASN QB 1 77 LYS QB . . 4.890 3.343 3.075 4.147 . 0 0 "[ . 1 . 2]" 1
1153 1 77 LYS HA 1 77 LYS QE . . 4.730 4.321 3.646 4.734 0.004 20 0 "[ . 1 . 2]" 1
1154 1 77 LYS HA 1 77 LYS QG . . 3.460 2.466 2.227 3.436 . 0 0 "[ . 1 . 2]" 1
1155 1 77 LYS QB 1 77 LYS QE . . 3.550 2.899 2.034 3.538 . 0 0 "[ . 1 . 2]" 1
1156 1 77 LYS QE 1 77 LYS QG . . 3.110 2.151 1.968 2.377 . 0 0 "[ . 1 . 2]" 1
1157 1 77 LYS HG2 1 78 ARG H . . 5.500 5.104 3.828 5.515 0.015 5 0 "[ . 1 . 2]" 1
1158 1 77 LYS HG3 1 78 ARG H . . 5.500 4.845 3.951 5.317 . 0 0 "[ . 1 . 2]" 1
1159 1 78 ARG H 1 78 ARG HB2 . . 2.840 2.549 2.276 2.835 . 0 0 "[ . 1 . 2]" 1
1160 1 78 ARG H 1 78 ARG QD . . 4.430 3.653 2.209 4.408 . 0 0 "[ . 1 . 2]" 1
1161 1 78 ARG H 1 78 ARG HG2 . . 4.300 3.215 2.036 4.308 0.008 6 0 "[ . 1 . 2]" 1
1162 1 78 ARG H 1 78 ARG QG . . 3.480 2.971 2.015 3.692 0.212 19 0 "[ . 1 . 2]" 1
1163 1 78 ARG H 1 78 ARG HG3 . . 4.300 3.955 3.229 4.285 . 0 0 "[ . 1 . 2]" 1
1164 1 78 ARG H 1 81 PHE H . . 5.500 5.567 5.516 5.641 0.141 8 0 "[ . 1 . 2]" 1
1165 1 78 ARG H 1 81 PHE HB3 . . 5.210 4.393 3.981 4.674 . 0 0 "[ . 1 . 2]" 1
1166 1 78 ARG HA 1 78 ARG HB3 . . 2.820 2.496 2.317 2.626 . 0 0 "[ . 1 . 2]" 1
1167 1 78 ARG HA 1 78 ARG HD2 . . 3.840 3.130 2.003 3.849 0.009 13 0 "[ . 1 . 2]" 1
1168 1 78 ARG HA 1 78 ARG QD . . 3.370 2.486 1.987 3.413 0.043 2 0 "[ . 1 . 2]" 1
1169 1 78 ARG HA 1 78 ARG HD3 . . 3.840 3.050 2.173 3.990 0.150 19 0 "[ . 1 . 2]" 1
1170 1 78 ARG HA 1 79 LYS H . . 3.470 2.143 2.138 2.161 . 0 0 "[ . 1 . 2]" 1
1171 1 78 ARG QD 1 79 LYS H . . 5.340 3.990 3.285 5.136 . 0 0 "[ . 1 . 2]" 1
1172 1 78 ARG QG 1 79 LYS H . . 5.340 4.537 4.068 4.887 . 0 0 "[ . 1 . 2]" 1
1173 1 79 LYS H 1 79 LYS QB . . 3.190 2.312 2.115 2.560 . 0 0 "[ . 1 . 2]" 1
1174 1 79 LYS HA 1 80 GLY H . . 2.760 2.243 2.157 2.279 . 0 0 "[ . 1 . 2]" 1
1175 1 79 LYS HA 1 80 GLY HA2 . . 4.650 4.502 4.416 4.534 . 0 0 "[ . 1 . 2]" 1
1176 1 79 LYS HA 1 81 PHE H . . 3.470 3.253 3.188 3.469 . 0 0 "[ . 1 . 2]" 1
1177 1 80 GLY H 1 81 PHE H . . 3.670 2.243 2.132 2.422 . 0 0 "[ . 1 . 2]" 1
1178 1 80 GLY H 1 81 PHE HB3 . . 5.410 4.548 4.351 4.752 . 0 0 "[ . 1 . 2]" 1
1179 1 80 GLY HA2 1 81 PHE H . . 3.380 3.213 3.083 3.299 . 0 0 "[ . 1 . 2]" 1
1180 1 80 GLY HA2 1 81 PHE HA . . 5.070 4.830 4.751 4.877 . 0 0 "[ . 1 . 2]" 1
1181 1 80 GLY HA2 1 83 GLU HB2 . . 4.470 3.053 2.520 3.836 . 0 0 "[ . 1 . 2]" 1
1182 1 80 GLY HA2 1 83 GLU HB3 . . 4.470 3.787 2.745 4.562 0.092 13 0 "[ . 1 . 2]" 1
1183 1 80 GLY HA2 1 83 GLU HG2 . . 5.200 3.416 2.576 4.190 . 0 0 "[ . 1 . 2]" 1
1184 1 80 GLY HA2 1 83 GLU QG . . 4.450 2.659 1.930 3.775 . 0 0 "[ . 1 . 2]" 1
1185 1 80 GLY HA2 1 83 GLU HG3 . . 5.200 3.075 1.993 5.165 . 0 0 "[ . 1 . 2]" 1
1186 1 80 GLY HA3 1 81 PHE HB3 . . 5.500 5.477 5.406 5.538 0.038 19 0 "[ . 1 . 2]" 1
1187 1 80 GLY HA3 1 83 GLU H . . 5.370 4.921 4.676 5.387 0.017 8 0 "[ . 1 . 2]" 1
1188 1 80 GLY HA3 1 83 GLU QB . . 4.260 3.436 3.216 3.756 . 0 0 "[ . 1 . 2]" 1
1189 1 80 GLY HA3 1 83 GLU HG2 . . 5.500 4.607 3.841 5.537 0.037 10 0 "[ . 1 . 2]" 1
1190 1 80 GLY HA3 1 83 GLU QG . . 4.740 3.798 3.212 4.603 . 0 0 "[ . 1 . 2]" 1
1191 1 80 GLY HA3 1 83 GLU HG3 . . 5.500 4.290 3.391 5.518 0.018 19 0 "[ . 1 . 2]" 1
1192 1 81 PHE H 1 81 PHE HB2 . . 3.750 3.588 3.581 3.594 . 0 0 "[ . 1 . 2]" 1
1193 1 81 PHE H 1 81 PHE HB3 . . 3.600 2.482 2.410 2.592 . 0 0 "[ . 1 . 2]" 1
1194 1 81 PHE H 1 81 PHE QD . . 3.760 2.220 2.053 2.359 . 0 0 "[ . 1 . 2]" 1
1195 1 81 PHE H 1 82 ASN H . . 4.700 4.606 4.575 4.640 . 0 0 "[ . 1 . 2]" 1
1196 1 81 PHE H 1 82 ASN QB . . 5.340 5.119 4.963 5.221 . 0 0 "[ . 1 . 2]" 1
1197 1 81 PHE HA 1 81 PHE QD . . 3.910 3.726 3.720 3.729 . 0 0 "[ . 1 . 2]" 1
1198 1 81 PHE HA 1 83 GLU H . . 4.310 3.339 3.222 3.418 . 0 0 "[ . 1 . 2]" 1
1199 1 81 PHE HB2 1 82 ASN H . . 3.570 3.008 2.624 3.207 . 0 0 "[ . 1 . 2]" 1
1200 1 81 PHE HB3 1 82 ASN H . . 4.240 4.102 3.892 4.230 . 0 0 "[ . 1 . 2]" 1
1201 1 81 PHE HB3 1 83 GLU H . . 5.500 5.539 5.481 5.605 0.105 19 0 "[ . 1 . 2]" 1
1202 1 81 PHE QD 1 82 ASN H . . 4.060 3.793 3.457 3.959 . 0 0 "[ . 1 . 2]" 1
1203 1 81 PHE QD 1 82 ASN HA . . 4.660 4.542 4.248 4.676 0.016 10 0 "[ . 1 . 2]" 1
1204 1 82 ASN H 1 82 ASN QB . . 3.610 3.065 2.953 3.222 . 0 0 "[ . 1 . 2]" 1
1205 1 82 ASN H 1 82 ASN HD21 . . 4.560 3.865 2.900 4.559 . 0 0 "[ . 1 . 2]" 1
1206 1 82 ASN H 1 82 ASN HD22 . . 5.500 4.943 4.403 5.384 . 0 0 "[ . 1 . 2]" 1
1207 1 82 ASN H 1 83 GLU H . . 3.590 2.621 2.571 2.712 . 0 0 "[ . 1 . 2]" 1
1208 1 82 ASN H 1 83 GLU HA . . 5.500 5.262 5.224 5.314 . 0 0 "[ . 1 . 2]" 1
1209 1 82 ASN H 1 85 LEU HA . . 5.500 5.449 5.366 5.560 0.060 17 0 "[ . 1 . 2]" 1
1210 1 82 ASN H 1 85 LEU HB2 . . 4.890 3.211 3.089 3.502 . 0 0 "[ . 1 . 2]" 1
1211 1 82 ASN H 1 85 LEU MD1 . . 5.500 4.035 3.901 4.263 . 0 0 "[ . 1 . 2]" 1
1212 1 82 ASN HA 1 82 ASN HD21 . . 4.230 2.145 1.979 2.358 . 0 0 "[ . 1 . 2]" 1
1213 1 82 ASN HA 1 82 ASN HD22 . . 5.340 3.305 3.219 3.372 . 0 0 "[ . 1 . 2]" 1
1214 1 82 ASN HA 1 84 GLY H . . 4.200 3.813 3.217 4.048 . 0 0 "[ . 1 . 2]" 1
1215 1 82 ASN HA 1 85 LEU H . . 3.590 3.535 3.119 3.669 0.079 16 0 "[ . 1 . 2]" 1
1216 1 82 ASN HA 1 85 LEU HB2 . . 4.270 3.872 3.372 4.088 . 0 0 "[ . 1 . 2]" 1
1217 1 82 ASN HA 1 85 LEU HB3 . . 3.480 3.054 2.844 3.303 . 0 0 "[ . 1 . 2]" 1
1218 1 82 ASN HA 1 85 LEU MD2 . . 4.140 3.622 3.409 4.100 . 0 0 "[ . 1 . 2]" 1
1219 1 82 ASN HA 1 86 TRP H . . 5.390 4.562 4.286 5.116 . 0 0 "[ . 1 . 2]" 1
1220 1 82 ASN QB 1 82 ASN HD21 . . 2.970 2.588 2.516 2.660 . 0 0 "[ . 1 . 2]" 1
1221 1 82 ASN QB 1 82 ASN HD22 . . 3.460 3.416 3.393 3.439 . 0 0 "[ . 1 . 2]" 1
1222 1 82 ASN QB 1 83 GLU H . . 4.010 3.704 3.672 3.775 . 0 0 "[ . 1 . 2]" 1
1223 1 82 ASN QB 1 85 LEU HB3 . . 5.340 5.137 4.974 5.346 0.006 17 0 "[ . 1 . 2]" 1
1224 1 82 ASN HB2 1 83 GLU HA . . 5.500 5.417 4.926 5.574 0.074 5 0 "[ . 1 . 2]" 1
1225 1 82 ASN HB3 1 83 GLU HA . . 5.500 4.428 4.336 4.602 . 0 0 "[ . 1 . 2]" 1
1226 1 82 ASN HD21 1 83 GLU H . . 5.500 4.834 4.649 5.024 . 0 0 "[ . 1 . 2]" 1
1227 1 82 ASN HD21 1 86 TRP H . . 5.500 5.232 4.798 5.536 0.036 5 0 "[ . 1 . 2]" 1
1228 1 82 ASN HD22 1 85 LEU MD2 . . 5.260 4.194 3.668 4.717 . 0 0 "[ . 1 . 2]" 1
1229 1 83 GLU H 1 83 GLU QB . . 2.870 2.617 2.344 2.749 . 0 0 "[ . 1 . 2]" 1
1230 1 83 GLU H 1 83 GLU HG2 . . 5.400 3.441 2.567 4.908 . 0 0 "[ . 1 . 2]" 1
1231 1 83 GLU H 1 83 GLU QG . . 4.560 3.158 2.537 4.246 . 0 0 "[ . 1 . 2]" 1
1232 1 83 GLU H 1 83 GLU HG3 . . 5.400 4.006 2.878 4.831 . 0 0 "[ . 1 . 2]" 1
1233 1 83 GLU H 1 84 GLY H . . 3.170 3.124 2.877 3.237 0.067 2 0 "[ . 1 . 2]" 1
1234 1 83 GLU H 1 85 LEU H . . 5.500 3.185 2.970 3.552 . 0 0 "[ . 1 . 2]" 1
1235 1 83 GLU HA 1 83 GLU QG . . 3.730 2.867 2.541 3.207 . 0 0 "[ . 1 . 2]" 1
1236 1 83 GLU HA 1 85 LEU H . . 5.000 4.294 4.151 4.693 . 0 0 "[ . 1 . 2]" 1
1237 1 83 GLU QB 1 84 GLY H . . 4.100 3.915 3.829 4.001 . 0 0 "[ . 1 . 2]" 1
1238 1 83 GLU HB2 1 84 GLY H . . 4.660 4.417 4.191 4.652 . 0 0 "[ . 1 . 2]" 1
1239 1 83 GLU HB3 1 84 GLY H . . 4.660 4.389 4.127 4.471 . 0 0 "[ . 1 . 2]" 1
1240 1 84 GLY H 1 85 LEU HB3 . . 5.500 4.084 3.998 4.152 . 0 0 "[ . 1 . 2]" 1
1241 1 84 GLY H 1 85 LEU MD2 . . 5.500 5.472 5.392 5.523 0.023 17 0 "[ . 1 . 2]" 1
1242 1 84 GLY QA 1 86 TRP H . . 4.680 3.618 3.158 4.097 . 0 0 "[ . 1 . 2]" 1
1243 1 85 LEU H 1 85 LEU HB2 . . 3.120 2.659 2.582 2.774 . 0 0 "[ . 1 . 2]" 1
1244 1 85 LEU H 1 85 LEU HB3 . . 2.810 2.378 2.307 2.427 . 0 0 "[ . 1 . 2]" 1
1245 1 85 LEU H 1 85 LEU MD1 . . 5.170 4.247 4.151 4.317 . 0 0 "[ . 1 . 2]" 1
1246 1 85 LEU H 1 85 LEU MD2 . . 4.140 4.107 4.062 4.151 0.011 15 0 "[ . 1 . 2]" 1
1247 1 85 LEU H 1 85 LEU HG . . 4.860 4.404 4.338 4.429 . 0 0 "[ . 1 . 2]" 1
1248 1 85 LEU H 1 86 TRP H . . 3.500 2.581 2.467 2.756 . 0 0 "[ . 1 . 2]" 1
1249 1 85 LEU H 1 86 TRP QB . . 5.340 4.361 4.222 4.555 . 0 0 "[ . 1 . 2]" 1
1250 1 85 LEU H 1 87 GLU H . . 5.500 3.855 3.627 4.155 . 0 0 "[ . 1 . 2]" 1
1251 1 85 LEU H 1 87 GLU HB2 . . 5.500 4.905 4.533 5.309 . 0 0 "[ . 1 . 2]" 1
1252 1 85 LEU H 1 88 ILE MG . . 5.500 5.468 5.302 5.547 0.047 14 0 "[ . 1 . 2]" 1
1253 1 85 LEU HA 1 85 LEU MD2 . . 4.480 3.955 3.940 3.993 . 0 0 "[ . 1 . 2]" 1
1254 1 85 LEU HA 1 88 ILE MG . . 4.420 3.341 3.098 3.539 . 0 0 "[ . 1 . 2]" 1
1255 1 85 LEU HB2 1 85 LEU MD1 . . 3.420 2.115 2.021 2.218 . 0 0 "[ . 1 . 2]" 1
1256 1 85 LEU HB2 1 86 TRP H . . 4.150 4.030 3.843 4.108 . 0 0 "[ . 1 . 2]" 1
1257 1 85 LEU HB2 1 88 ILE MG . . 5.500 4.918 4.518 5.291 . 0 0 "[ . 1 . 2]" 1
1258 1 85 LEU HB3 1 86 TRP H . . 3.450 2.776 2.445 2.925 . 0 0 "[ . 1 . 2]" 1
1259 1 85 LEU MD1 1 88 ILE MD . . 3.850 3.789 3.367 3.882 0.032 7 0 "[ . 1 . 2]" 1
1260 1 85 LEU MD1 1 88 ILE MG . . 4.090 3.300 2.582 3.757 . 0 0 "[ . 1 . 2]" 1
1261 1 85 LEU MD2 1 86 TRP H . . 4.030 3.779 3.560 3.970 . 0 0 "[ . 1 . 2]" 1
1262 1 85 LEU MD2 1 87 GLU H . . 5.500 5.538 5.511 5.565 0.065 19 0 "[ . 1 . 2]" 1
1263 1 85 LEU HG 1 86 TRP H . . 3.940 3.892 3.510 4.027 0.087 20 0 "[ . 1 . 2]" 1
1264 1 85 LEU HG 1 86 TRP HA . . 3.900 3.743 3.437 3.847 . 0 0 "[ . 1 . 2]" 1
1265 1 85 LEU HG 1 88 ILE MG . . 3.810 3.260 2.594 3.821 0.011 14 0 "[ . 1 . 2]" 1
1266 1 86 TRP H 1 86 TRP HB2 . . 3.380 2.819 2.768 2.903 . 0 0 "[ . 1 . 2]" 1
1267 1 86 TRP H 1 86 TRP QB . . 2.830 2.230 2.184 2.260 . 0 0 "[ . 1 . 2]" 1
1268 1 86 TRP H 1 86 TRP HB3 . . 3.380 2.339 2.264 2.382 . 0 0 "[ . 1 . 2]" 1
1269 1 86 TRP H 1 86 TRP HD1 . . 5.500 5.230 5.194 5.281 . 0 0 "[ . 1 . 2]" 1
1270 1 86 TRP H 1 86 TRP HE3 . . 4.280 4.215 4.038 4.295 0.015 13 0 "[ . 1 . 2]" 1
1271 1 86 TRP H 1 87 GLU H . . 3.540 2.443 2.353 2.610 . 0 0 "[ . 1 . 2]" 1
1272 1 86 TRP H 1 87 GLU HB2 . . 5.390 4.451 4.350 4.707 . 0 0 "[ . 1 . 2]" 1
1273 1 86 TRP H 1 88 ILE H . . 4.450 4.138 3.956 4.465 0.015 17 0 "[ . 1 . 2]" 1
1274 1 86 TRP H 1 88 ILE MG . . 5.500 4.686 4.562 4.769 . 0 0 "[ . 1 . 2]" 1
1275 1 86 TRP HA 1 86 TRP HD1 . . 3.850 3.261 3.226 3.348 . 0 0 "[ . 1 . 2]" 1
1276 1 86 TRP HA 1 86 TRP HE1 . . 5.350 5.229 5.182 5.334 . 0 0 "[ . 1 . 2]" 1
1277 1 86 TRP HA 1 86 TRP HE3 . . 4.680 4.613 4.574 4.672 . 0 0 "[ . 1 . 2]" 1
1278 1 86 TRP HA 1 87 GLU HA . . 4.930 4.704 4.685 4.752 . 0 0 "[ . 1 . 2]" 1
1279 1 86 TRP HA 1 89 ASP H . . 5.500 3.885 3.607 4.228 . 0 0 "[ . 1 . 2]" 1
1280 1 86 TRP HA 1 89 ASP QB . . 4.710 4.055 3.289 4.656 . 0 0 "[ . 1 . 2]" 1
1281 1 86 TRP HA 1 90 ASN HD21 . . 4.090 3.872 3.681 4.069 . 0 0 "[ . 1 . 2]" 1
1282 1 86 TRP HA 1 90 ASN HD22 . . 4.930 4.745 4.554 4.951 0.021 11 0 "[ . 1 . 2]" 1
1283 1 86 TRP QB 1 86 TRP HD1 . . 3.190 2.620 2.602 2.636 . 0 0 "[ . 1 . 2]" 1
1284 1 86 TRP QB 1 87 GLU H . . 4.280 3.166 3.108 3.230 . 0 0 "[ . 1 . 2]" 1
1285 1 86 TRP HD1 1 90 ASN HD21 . . 5.490 4.063 3.760 4.207 . 0 0 "[ . 1 . 2]" 1
1286 1 86 TRP HD1 1 90 ASN HD22 . . 4.230 3.650 3.424 3.778 . 0 0 "[ . 1 . 2]" 1
1287 1 86 TRP HE1 1 90 ASN HB2 . . 5.500 4.928 4.314 5.128 . 0 0 "[ . 1 . 2]" 1
1288 1 86 TRP HE1 1 90 ASN HB3 . . 5.500 5.316 4.735 5.517 0.017 7 0 "[ . 1 . 2]" 1
1289 1 86 TRP HE1 1 90 ASN HD21 . . 4.880 3.860 3.516 4.013 . 0 0 "[ . 1 . 2]" 1
1290 1 86 TRP HE1 1 90 ASN HD22 . . 4.380 2.712 2.519 2.834 . 0 0 "[ . 1 . 2]" 1
1291 1 86 TRP HE3 1 87 GLU H . . 3.720 3.497 3.353 3.605 . 0 0 "[ . 1 . 2]" 1
1292 1 86 TRP HE3 1 87 GLU HA . . 3.320 3.172 3.022 3.328 0.008 4 0 "[ . 1 . 2]" 1
1293 1 86 TRP HE3 1 87 GLU HB2 . . 4.630 4.427 4.182 4.604 . 0 0 "[ . 1 . 2]" 1
1294 1 86 TRP HE3 1 87 GLU HG2 . . 3.860 3.375 3.094 3.701 . 0 0 "[ . 1 . 2]" 1
1295 1 86 TRP HE3 1 87 GLU HG3 . . 3.170 2.299 2.045 2.458 . 0 0 "[ . 1 . 2]" 1
1296 1 86 TRP HE3 1 88 ILE H . . 5.450 5.469 5.420 5.492 0.042 10 0 "[ . 1 . 2]" 1
1297 1 86 TRP HE3 1 91 ASN HB2 . . 5.500 5.441 5.147 5.520 0.020 9 0 "[ . 1 . 2]" 1
1298 1 86 TRP HE3 1 91 ASN HB3 . . 5.500 5.076 4.679 5.440 . 0 0 "[ . 1 . 2]" 1
1299 1 86 TRP HZ2 1 90 ASN QB . . 4.270 3.525 3.016 3.729 . 0 0 "[ . 1 . 2]" 1
1300 1 86 TRP HZ2 1 90 ASN HD22 . . 4.020 3.822 3.630 4.043 0.023 17 0 "[ . 1 . 2]" 1
1301 1 86 TRP HZ3 1 87 GLU HA . . 4.060 3.933 3.699 4.076 0.016 14 0 "[ . 1 . 2]" 1
1302 1 86 TRP HZ3 1 87 GLU HG2 . . 4.430 3.301 2.851 3.698 . 0 0 "[ . 1 . 2]" 1
1303 1 86 TRP HZ3 1 87 GLU HG3 . . 4.330 3.432 3.074 3.811 . 0 0 "[ . 1 . 2]" 1
1304 1 86 TRP HZ3 1 91 ASN HB2 . . 4.230 3.991 3.791 4.202 . 0 0 "[ . 1 . 2]" 1
1305 1 86 TRP HZ3 1 91 ASN HB3 . . 4.750 4.308 3.550 4.767 0.017 4 0 "[ . 1 . 2]" 1
1306 1 87 GLU H 1 87 GLU HB2 . . 3.140 2.279 2.222 2.364 . 0 0 "[ . 1 . 2]" 1
1307 1 87 GLU H 1 87 GLU HB3 . . 3.650 3.551 3.517 3.589 . 0 0 "[ . 1 . 2]" 1
1308 1 87 GLU H 1 87 GLU HG2 . . 4.270 4.039 3.891 4.171 . 0 0 "[ . 1 . 2]" 1
1309 1 87 GLU H 1 87 GLU HG3 . . 2.930 2.832 2.549 2.941 0.011 14 0 "[ . 1 . 2]" 1
1310 1 87 GLU H 1 88 ILE H . . 3.830 2.382 2.339 2.515 . 0 0 "[ . 1 . 2]" 1
1311 1 87 GLU H 1 88 ILE MG . . 5.270 4.058 3.966 4.156 . 0 0 "[ . 1 . 2]" 1
1312 1 87 GLU H 1 91 ASN HB3 . . 5.500 5.527 5.485 5.556 0.056 1 0 "[ . 1 . 2]" 1
1313 1 87 GLU HA 1 87 GLU HG2 . . 3.610 2.600 2.451 2.754 . 0 0 "[ . 1 . 2]" 1
1314 1 87 GLU HA 1 87 GLU HG3 . . 3.660 2.704 2.512 2.840 . 0 0 "[ . 1 . 2]" 1
1315 1 87 GLU HA 1 89 ASP H . . 5.080 3.640 3.572 3.708 . 0 0 "[ . 1 . 2]" 1
1316 1 87 GLU HA 1 90 ASN H . . 3.630 2.935 2.645 3.185 . 0 0 "[ . 1 . 2]" 1
1317 1 87 GLU HA 1 90 ASN HA . . 5.100 4.821 4.541 5.141 0.041 17 0 "[ . 1 . 2]" 1
1318 1 87 GLU HA 1 91 ASN H . . 3.300 1.946 1.910 2.040 . 0 0 "[ . 1 . 2]" 1
1319 1 87 GLU HA 1 91 ASN HA . . 4.920 4.749 4.674 4.813 . 0 0 "[ . 1 . 2]" 1
1320 1 87 GLU HA 1 91 ASN HB2 . . 4.220 4.022 3.751 4.206 . 0 0 "[ . 1 . 2]" 1
1321 1 87 GLU HA 1 91 ASN HB3 . . 3.880 3.329 3.054 3.597 . 0 0 "[ . 1 . 2]" 1
1322 1 87 GLU HA 1 94 VAL MG1 . . 5.380 5.326 5.048 5.420 0.040 19 0 "[ . 1 . 2]" 1
1323 1 87 GLU HB2 1 88 ILE H . . 4.550 3.075 2.760 3.197 . 0 0 "[ . 1 . 2]" 1
1324 1 87 GLU HB3 1 88 ILE H . . 3.850 3.764 3.529 3.849 . 0 0 "[ . 1 . 2]" 1
1325 1 87 GLU HB3 1 94 VAL MG1 . . 4.070 3.100 2.910 3.213 . 0 0 "[ . 1 . 2]" 1
1326 1 87 GLU HG2 1 88 ILE H . . 5.340 5.264 5.154 5.334 . 0 0 "[ . 1 . 2]" 1
1327 1 87 GLU HG2 1 91 ASN HA . . 5.220 4.898 4.614 5.278 0.058 20 0 "[ . 1 . 2]" 1
1328 1 87 GLU HG2 1 91 ASN HB2 . . 4.280 3.250 2.693 4.023 . 0 0 "[ . 1 . 2]" 1
1329 1 87 GLU HG2 1 94 VAL HB . . 4.600 3.571 2.808 4.085 . 0 0 "[ . 1 . 2]" 1
1330 1 87 GLU HG2 1 94 VAL MG1 . . 4.600 4.156 3.589 4.615 0.015 14 0 "[ . 1 . 2]" 1
1331 1 87 GLU HG3 1 94 VAL MG1 . . 5.000 4.755 4.410 5.020 0.020 14 0 "[ . 1 . 2]" 1
1332 1 88 ILE H 1 88 ILE MD . . 4.580 4.344 4.330 4.368 . 0 0 "[ . 1 . 2]" 1
1333 1 88 ILE H 1 88 ILE MG . . 3.060 2.415 2.336 2.512 . 0 0 "[ . 1 . 2]" 1
1334 1 88 ILE H 1 89 ASP H . . 3.870 2.661 2.607 2.799 . 0 0 "[ . 1 . 2]" 1
1335 1 88 ILE H 1 89 ASP QB . . 5.340 4.551 4.394 5.081 . 0 0 "[ . 1 . 2]" 1
1336 1 88 ILE H 1 90 ASN H . . 3.970 3.915 3.832 4.033 0.063 17 0 "[ . 1 . 2]" 1
1337 1 88 ILE HA 1 88 ILE MD . . 4.100 3.767 3.735 3.806 . 0 0 "[ . 1 . 2]" 1
1338 1 88 ILE MD 1 88 ILE MG . . 3.240 2.026 1.931 2.060 . 0 0 "[ . 1 . 2]" 1
1339 1 88 ILE MD 1 89 ASP H . . 5.280 4.931 4.682 5.133 . 0 0 "[ . 1 . 2]" 1
1340 1 88 ILE MG 1 89 ASP H . . 3.310 2.177 2.017 2.367 . 0 0 "[ . 1 . 2]" 1
1341 1 88 ILE MG 1 89 ASP HA . . 3.810 3.547 3.482 3.598 . 0 0 "[ . 1 . 2]" 1
1342 1 88 ILE MG 1 89 ASP HB2 . . 4.290 2.694 2.503 4.291 0.001 11 0 "[ . 1 . 2]" 1
1343 1 88 ILE MG 1 89 ASP QB . . 3.530 2.588 2.464 3.024 . 0 0 "[ . 1 . 2]" 1
1344 1 88 ILE MG 1 89 ASP HB3 . . 4.290 3.736 3.091 4.161 . 0 0 "[ . 1 . 2]" 1
1345 1 88 ILE MG 1 90 ASN H . . 4.170 4.026 3.772 4.216 0.046 17 0 "[ . 1 . 2]" 1
1346 1 89 ASP H 1 89 ASP HB2 . . 3.540 2.686 2.321 3.632 0.092 11 0 "[ . 1 . 2]" 1
1347 1 89 ASP H 1 89 ASP HB3 . . 3.540 3.000 2.848 3.529 . 0 0 "[ . 1 . 2]" 1
1348 1 89 ASP H 1 90 ASN H . . 3.230 2.113 1.939 2.155 . 0 0 "[ . 1 . 2]" 1
1349 1 89 ASP H 1 90 ASN HA . . 4.770 4.743 4.682 4.781 0.011 17 0 "[ . 1 . 2]" 1
1350 1 89 ASP H 1 90 ASN QB . . 5.340 3.861 3.785 3.976 . 0 0 "[ . 1 . 2]" 1
1351 1 89 ASP H 1 90 ASN HD21 . . 5.310 3.185 3.008 3.412 . 0 0 "[ . 1 . 2]" 1
1352 1 89 ASP H 1 90 ASN HD22 . . 5.130 4.754 4.550 5.063 . 0 0 "[ . 1 . 2]" 1
1353 1 89 ASP H 1 91 ASN H . . 4.770 4.143 4.034 4.256 . 0 0 "[ . 1 . 2]" 1
1354 1 89 ASP HA 1 90 ASN HA . . 4.570 4.499 4.436 4.693 0.123 4 0 "[ . 1 . 2]" 1
1355 1 89 ASP QB 1 90 ASN HD21 . . 3.720 2.686 2.223 3.050 . 0 0 "[ . 1 . 2]" 1
1356 1 89 ASP QB 1 90 ASN HD22 . . 3.650 3.217 2.816 3.681 0.031 2 0 "[ . 1 . 2]" 1
1357 1 89 ASP HB2 1 90 ASN H . . 4.270 4.040 3.054 4.261 . 0 0 "[ . 1 . 2]" 1
1358 1 89 ASP HB2 1 90 ASN HD21 . . 4.260 3.866 3.089 4.255 . 0 0 "[ . 1 . 2]" 1
1359 1 89 ASP HB3 1 90 ASN H . . 4.270 3.675 2.924 4.457 0.187 11 0 "[ . 1 . 2]" 1
1360 1 89 ASP HB3 1 90 ASN HD21 . . 4.260 2.860 2.238 4.270 0.010 11 0 "[ . 1 . 2]" 1
1361 1 90 ASN H 1 90 ASN HB2 . . 3.920 2.576 2.294 2.749 . 0 0 "[ . 1 . 2]" 1
1362 1 90 ASN H 1 90 ASN QB . . 3.220 2.530 2.268 2.689 . 0 0 "[ . 1 . 2]" 1
1363 1 90 ASN H 1 90 ASN HB3 . . 3.920 3.723 3.564 3.811 . 0 0 "[ . 1 . 2]" 1
1364 1 90 ASN H 1 90 ASN HD21 . . 3.340 2.802 2.165 3.062 . 0 0 "[ . 1 . 2]" 1
1365 1 90 ASN H 1 90 ASN HD22 . . 4.580 4.367 3.767 4.638 0.058 17 0 "[ . 1 . 2]" 1
1366 1 90 ASN H 1 91 ASN H . . 3.220 2.511 2.411 2.760 . 0 0 "[ . 1 . 2]" 1
1367 1 90 ASN H 1 91 ASN HB2 . . 5.500 5.281 5.092 5.413 . 0 0 "[ . 1 . 2]" 1
1368 1 90 ASN H 1 91 ASN HB3 . . 5.500 5.120 4.971 5.482 . 0 0 "[ . 1 . 2]" 1
1369 1 90 ASN HA 1 90 ASN HD21 . . 4.160 3.477 3.313 3.536 . 0 0 "[ . 1 . 2]" 1
1370 1 90 ASN HA 1 90 ASN HD22 . . 4.260 4.053 3.944 4.092 . 0 0 "[ . 1 . 2]" 1
1371 1 90 ASN HA 1 91 ASN HA . . 4.760 4.547 4.546 4.549 . 0 0 "[ . 1 . 2]" 1
1372 1 90 ASN QB 1 90 ASN HD22 . . 3.490 3.327 3.312 3.348 . 0 0 "[ . 1 . 2]" 1
1373 1 90 ASN QB 1 91 ASN H . . 4.060 2.130 2.080 2.170 . 0 0 "[ . 1 . 2]" 1
1374 1 90 ASN HB2 1 91 ASN H . . 4.700 2.197 2.129 2.251 . 0 0 "[ . 1 . 2]" 1
1375 1 90 ASN HB3 1 91 ASN H . . 4.700 2.866 2.791 2.930 . 0 0 "[ . 1 . 2]" 1
1376 1 91 ASN H 1 91 ASN HB2 . . 3.310 2.846 2.724 2.967 . 0 0 "[ . 1 . 2]" 1
1377 1 91 ASN H 1 91 ASN HB3 . . 3.360 2.697 2.598 2.815 . 0 0 "[ . 1 . 2]" 1
1378 1 91 ASN HA 1 92 PRO HB3 . . 5.400 5.228 5.191 5.258 . 0 0 "[ . 1 . 2]" 1
1379 1 91 ASN HA 1 93 LYS H . . 4.300 3.110 3.093 3.131 . 0 0 "[ . 1 . 2]" 1
1380 1 91 ASN HA 1 94 VAL HB . . 5.020 4.936 4.529 5.048 0.028 16 0 "[ . 1 . 2]" 1
1381 1 91 ASN HB2 1 94 VAL HB . . 4.430 4.325 3.716 4.456 0.026 20 0 "[ . 1 . 2]" 1
1382 1 91 ASN HB2 1 94 VAL MG2 . . 5.050 4.838 4.498 5.009 . 0 0 "[ . 1 . 2]" 1
1383 1 91 ASN HB3 1 93 LYS H . . 4.620 4.420 4.264 4.597 . 0 0 "[ . 1 . 2]" 1
1384 1 91 ASN HB3 1 94 VAL H . . 4.620 4.274 3.809 4.645 0.025 18 0 "[ . 1 . 2]" 1
1385 1 91 ASN HB3 1 94 VAL HB . . 4.100 2.851 2.343 3.040 . 0 0 "[ . 1 . 2]" 1
1386 1 91 ASN HB3 1 94 VAL MG1 . . 4.280 4.063 3.401 4.297 0.017 6 0 "[ . 1 . 2]" 1
1387 1 92 PRO HA 1 94 VAL H . . 3.930 3.827 3.659 3.969 0.039 18 0 "[ . 1 . 2]" 1
1388 1 92 PRO HA 1 94 VAL MG1 . . 4.430 4.189 3.850 4.442 0.012 19 0 "[ . 1 . 2]" 1
1389 1 92 PRO HB2 1 93 LYS H . . 3.850 3.791 3.738 3.807 . 0 0 "[ . 1 . 2]" 1
1390 1 93 LYS H 1 93 LYS HB2 . . 3.820 3.107 2.422 3.792 . 0 0 "[ . 1 . 2]" 1
1391 1 93 LYS H 1 93 LYS QB . . 3.010 2.701 2.388 2.976 . 0 0 "[ . 1 . 2]" 1
1392 1 93 LYS H 1 93 LYS HB3 . . 3.820 3.386 2.894 3.807 . 0 0 "[ . 1 . 2]" 1
1393 1 93 LYS H 1 94 VAL H . . 3.200 2.735 2.529 3.054 . 0 0 "[ . 1 . 2]" 1
1394 1 93 LYS H 1 94 VAL HA . . 5.500 4.430 4.272 4.589 . 0 0 "[ . 1 . 2]" 1
1395 1 93 LYS H 1 94 VAL MG1 . . 4.580 4.441 4.153 4.614 0.034 16 0 "[ . 1 . 2]" 1
1396 1 93 LYS H 1 94 VAL MG2 . . 5.500 5.514 5.426 5.551 0.051 1 0 "[ . 1 . 2]" 1
1397 1 93 LYS HA 1 94 VAL MG1 . . 4.970 4.196 4.034 4.357 . 0 0 "[ . 1 . 2]" 1
1398 1 93 LYS HA 1 95 LYS QE . . 4.290 4.008 3.313 4.397 0.107 16 0 "[ . 1 . 2]" 1
1399 1 93 LYS HA 1 95 LYS HG2 . . 4.040 3.400 2.591 4.063 0.023 18 0 "[ . 1 . 2]" 1
1400 1 93 LYS HA 1 95 LYS QG . . 3.460 2.781 2.558 3.104 . 0 0 "[ . 1 . 2]" 1
1401 1 93 LYS HA 1 95 LYS HG3 . . 4.040 3.175 2.744 4.044 0.004 10 0 "[ . 1 . 2]" 1
1402 1 93 LYS HA 1 96 PHE H . . 4.460 4.204 3.916 4.534 0.074 19 0 "[ . 1 . 2]" 1
1403 1 93 LYS QB 1 95 LYS H . . 4.510 4.257 3.771 4.518 0.008 7 0 "[ . 1 . 2]" 1
1404 1 93 LYS QB 1 95 LYS QG . . 3.800 3.576 3.140 4.021 0.221 16 0 "[ . 1 . 2]" 1
1405 1 93 LYS HB2 1 94 VAL H . . 4.630 4.307 4.005 4.495 . 0 0 "[ . 1 . 2]" 1
1406 1 93 LYS HB3 1 94 VAL H . . 4.630 4.503 4.146 4.646 0.016 1 0 "[ . 1 . 2]" 1
1407 1 94 VAL H 1 94 VAL HB . . 2.960 2.554 2.470 2.695 . 0 0 "[ . 1 . 2]" 1
1408 1 94 VAL H 1 94 VAL MG1 . . 3.020 2.190 2.038 2.348 . 0 0 "[ . 1 . 2]" 1
1409 1 94 VAL H 1 94 VAL MG2 . . 3.860 3.769 3.753 3.814 . 0 0 "[ . 1 . 2]" 1
1410 1 94 VAL H 1 95 LYS H . . 5.500 2.602 2.329 2.841 . 0 0 "[ . 1 . 2]" 1
1411 1 94 VAL H 1 95 LYS QG . . 4.520 3.923 3.320 4.220 . 0 0 "[ . 1 . 2]" 1
1412 1 94 VAL HA 1 94 VAL MG2 . . 3.240 2.235 2.189 2.338 . 0 0 "[ . 1 . 2]" 1
1413 1 94 VAL HA 1 95 LYS HA . . 5.290 4.858 4.519 4.914 . 0 0 "[ . 1 . 2]" 1
1414 1 94 VAL HA 1 96 PHE H . . 4.680 3.654 3.244 3.885 . 0 0 "[ . 1 . 2]" 1
1415 1 94 VAL HB 1 95 LYS H . . 4.300 4.167 4.057 4.525 0.225 18 0 "[ . 1 . 2]" 1
1416 1 94 VAL MG1 1 95 LYS HA . . 4.090 3.271 3.076 3.668 . 0 0 "[ . 1 . 2]" 1
1417 1 94 VAL MG1 1 95 LYS QB . . 4.880 3.570 3.347 4.266 . 0 0 "[ . 1 . 2]" 1
1418 1 94 VAL MG2 1 95 LYS H . . 4.140 3.960 3.770 4.178 0.038 18 0 "[ . 1 . 2]" 1
1419 1 94 VAL MG2 1 96 PHE H . . 4.740 4.601 4.277 4.742 0.002 19 0 "[ . 1 . 2]" 1
1420 1 95 LYS H 1 95 LYS QG . . 4.300 2.143 1.837 2.354 . 0 0 "[ . 1 . 2]" 1
1421 1 95 LYS HA 1 95 LYS QG . . 3.680 3.342 2.545 3.423 . 0 0 "[ . 1 . 2]" 1
1422 1 95 LYS HA 1 96 PHE H . . 3.560 3.471 3.212 3.541 . 0 0 "[ . 1 . 2]" 1
1423 1 95 LYS HA 1 96 PHE HA . . 5.500 4.877 4.527 5.346 . 0 0 "[ . 1 . 2]" 1
1424 1 95 LYS QB 1 96 PHE H . . 3.920 3.495 2.512 3.840 . 0 0 "[ . 1 . 2]" 1
1425 1 95 LYS HB2 1 96 PHE H . . 4.600 3.821 2.548 4.137 . 0 0 "[ . 1 . 2]" 1
1426 1 95 LYS HB3 1 96 PHE H . . 4.600 4.084 3.810 4.552 . 0 0 "[ . 1 . 2]" 1
1427 1 95 LYS QE 1 95 LYS QG . . 3.330 2.211 2.005 2.810 . 0 0 "[ . 1 . 2]" 1
1428 1 95 LYS QG 1 96 PHE H . . 4.870 2.378 1.958 3.885 . 0 0 "[ . 1 . 2]" 1
1429 1 96 PHE H 1 96 PHE HB2 . . 3.730 2.671 2.131 3.717 . 0 0 "[ . 1 . 2]" 1
1430 1 96 PHE H 1 96 PHE HB3 . . 3.730 2.942 2.302 3.887 0.157 18 0 "[ . 1 . 2]" 1
1431 1 96 PHE H 1 96 PHE QD . . 5.500 3.900 1.948 4.343 . 0 0 "[ . 1 . 2]" 1
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