NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404949 |
1x4p   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4p
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 1547
_Distance_constraint_stats_list.Viol_count 498
_Distance_constraint_stats_list.Viol_total 57.352
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0058
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.039 0.009 15 0 "[ . 1 . 2]"
1 9 GLY 0.010 0.003 11 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.035 0.007 2 0 "[ . 1 . 2]"
1 12 ASP 0.089 0.010 15 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.028 0.006 10 0 "[ . 1 . 2]"
1 15 VAL 0.049 0.008 1 0 "[ . 1 . 2]"
1 16 LYS 0.114 0.012 19 0 "[ . 1 . 2]"
1 17 ARG 0.592 0.026 14 0 "[ . 1 . 2]"
1 18 VAL 0.077 0.011 1 0 "[ . 1 . 2]"
1 19 ILE 0.369 0.016 12 0 "[ . 1 . 2]"
1 20 GLU 0.119 0.014 14 0 "[ . 1 . 2]"
1 21 GLY 0.750 0.053 17 0 "[ . 1 . 2]"
1 22 SER 0.238 0.021 16 0 "[ . 1 . 2]"
1 23 LEU 1.049 0.053 17 0 "[ . 1 . 2]"
1 24 SER 0.085 0.011 11 0 "[ . 1 . 2]"
1 25 PRO 0.004 0.001 15 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.113 0.023 17 0 "[ . 1 . 2]"
1 28 ARG 0.167 0.011 11 0 "[ . 1 . 2]"
1 29 THR 0.073 0.006 11 0 "[ . 1 . 2]"
1 30 LEU 0.043 0.011 16 0 "[ . 1 . 2]"
1 31 LEU 0.016 0.009 11 0 "[ . 1 . 2]"
1 32 LYS 0.041 0.013 1 0 "[ . 1 . 2]"
1 33 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 34 ASP 0.007 0.004 18 0 "[ . 1 . 2]"
1 35 PRO 0.040 0.015 14 0 "[ . 1 . 2]"
1 36 ALA 0.051 0.015 14 0 "[ . 1 . 2]"
1 37 TYR 0.043 0.019 14 0 "[ . 1 . 2]"
1 38 TRP 0.048 0.019 14 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.013 0.003 14 0 "[ . 1 . 2]"
1 41 SER 0.018 0.007 8 0 "[ . 1 . 2]"
1 42 ASP 0.002 0.001 12 0 "[ . 1 . 2]"
1 43 GLU 0.082 0.040 12 0 "[ . 1 . 2]"
1 44 ASN 0.013 0.005 19 0 "[ . 1 . 2]"
1 45 SER 0.042 0.009 8 0 "[ . 1 . 2]"
1 46 LEU 0.096 0.009 15 0 "[ . 1 . 2]"
1 47 GLU 0.016 0.006 12 0 "[ . 1 . 2]"
1 48 TYR 0.041 0.004 10 0 "[ . 1 . 2]"
1 49 LYS 0.051 0.007 10 0 "[ . 1 . 2]"
1 50 TYR 0.150 0.010 15 0 "[ . 1 . 2]"
1 51 TYR 0.031 0.005 11 0 "[ . 1 . 2]"
1 52 LYS 0.018 0.004 1 0 "[ . 1 . 2]"
1 53 LEU 0.013 0.005 10 0 "[ . 1 . 2]"
1 54 LYS 0.025 0.008 1 0 "[ . 1 . 2]"
1 55 LEU 0.183 0.012 7 0 "[ . 1 . 2]"
1 56 ALA 0.004 0.002 12 0 "[ . 1 . 2]"
1 57 GLU 0.012 0.007 8 0 "[ . 1 . 2]"
1 58 MET 0.068 0.016 12 0 "[ . 1 . 2]"
1 59 GLN 0.032 0.010 12 0 "[ . 1 . 2]"
1 60 ARG 0.065 0.038 3 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 VAL H . . 3.120 2.237 2.110 2.759 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 VAL MG2 . . 4.140 3.357 2.890 4.057 . 0 0 "[ . 1 . 2]" 1
3 1 8 VAL H 1 8 VAL HB . . 4.090 3.778 3.583 4.012 . 0 0 "[ . 1 . 2]" 1
4 1 8 VAL H 1 8 VAL MG1 . . 3.620 2.589 2.263 3.097 . 0 0 "[ . 1 . 2]" 1
5 1 8 VAL H 1 8 VAL MG2 . . 4.160 2.402 1.887 3.073 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL H 1 9 GLY H . . 4.450 2.819 2.400 3.107 . 0 0 "[ . 1 . 2]" 1
7 1 8 VAL H 1 11 ILE MD . . 5.500 3.902 3.481 4.597 . 0 0 "[ . 1 . 2]" 1
8 1 8 VAL H 1 46 LEU MD1 . . 4.670 3.272 2.903 3.799 . 0 0 "[ . 1 . 2]" 1
9 1 8 VAL HA 1 8 VAL MG1 . . 3.250 2.205 2.054 2.364 . 0 0 "[ . 1 . 2]" 1
10 1 8 VAL HA 1 8 VAL MG2 . . 3.330 3.189 3.169 3.203 . 0 0 "[ . 1 . 2]" 1
11 1 8 VAL HA 1 11 ILE H . . 4.470 3.401 3.081 3.769 . 0 0 "[ . 1 . 2]" 1
12 1 8 VAL HA 1 11 ILE HB . . 4.340 3.372 3.023 3.751 . 0 0 "[ . 1 . 2]" 1
13 1 8 VAL HA 1 11 ILE MD . . 3.560 1.935 1.790 2.121 . 0 0 "[ . 1 . 2]" 1
14 1 8 VAL HA 1 11 ILE HG13 . . 4.500 4.029 3.604 4.346 . 0 0 "[ . 1 . 2]" 1
15 1 8 VAL HA 1 11 ILE MG . . 5.200 4.676 4.407 4.967 . 0 0 "[ . 1 . 2]" 1
16 1 8 VAL HA 1 12 ASP H . . 5.180 4.256 3.958 4.463 . 0 0 "[ . 1 . 2]" 1
17 1 8 VAL HA 1 46 LEU MD2 . . 4.850 4.561 4.352 4.736 . 0 0 "[ . 1 . 2]" 1
18 1 8 VAL HA 1 50 TYR QE . . 5.130 4.949 4.762 5.115 . 0 0 "[ . 1 . 2]" 1
19 1 8 VAL HB 1 9 GLY H . . 4.600 4.255 3.930 4.426 . 0 0 "[ . 1 . 2]" 1
20 1 8 VAL HB 1 46 LEU MD2 . . 4.390 3.962 3.847 4.077 . 0 0 "[ . 1 . 2]" 1
21 1 8 VAL HB 1 50 TYR QD . . 4.650 2.592 2.428 2.958 . 0 0 "[ . 1 . 2]" 1
22 1 8 VAL HB 1 50 TYR QE . . 3.360 2.630 2.404 2.943 . 0 0 "[ . 1 . 2]" 1
23 1 8 VAL MG1 1 11 ILE MD . . 3.780 2.425 2.041 2.638 . 0 0 "[ . 1 . 2]" 1
24 1 8 VAL MG1 1 12 ASP H . . 5.500 4.976 4.742 5.171 . 0 0 "[ . 1 . 2]" 1
25 1 8 VAL MG1 1 46 LEU H . . 5.500 5.483 5.377 5.509 0.009 15 0 "[ . 1 . 2]" 1
26 1 8 VAL MG1 1 46 LEU QB . . 4.230 3.967 3.913 4.040 . 0 0 "[ . 1 . 2]" 1
27 1 8 VAL MG1 1 46 LEU MD2 . . 3.200 1.862 1.783 1.931 . 0 0 "[ . 1 . 2]" 1
28 1 8 VAL MG1 1 47 GLU HA . . 3.880 2.497 2.222 2.678 . 0 0 "[ . 1 . 2]" 1
29 1 8 VAL MG1 1 49 LYS HB3 . . 5.500 5.240 5.076 5.428 . 0 0 "[ . 1 . 2]" 1
30 1 8 VAL MG1 1 50 TYR HB2 . . 5.040 3.177 2.906 3.600 . 0 0 "[ . 1 . 2]" 1
31 1 8 VAL MG1 1 50 TYR QD . . 4.640 2.887 2.722 3.073 . 0 0 "[ . 1 . 2]" 1
32 1 8 VAL MG1 1 50 TYR QE . . 3.930 2.868 2.722 2.985 . 0 0 "[ . 1 . 2]" 1
33 1 8 VAL MG2 1 9 GLY H . . 4.150 3.271 2.358 3.879 . 0 0 "[ . 1 . 2]" 1
34 1 8 VAL MG2 1 9 GLY HA2 . . 4.360 3.733 3.126 4.089 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL MG2 1 9 GLY HA3 . . 4.940 4.426 3.822 4.813 . 0 0 "[ . 1 . 2]" 1
36 1 8 VAL MG2 1 12 ASP QB . . 5.340 4.126 3.749 4.537 . 0 0 "[ . 1 . 2]" 1
37 1 8 VAL MG2 1 46 LEU MD2 . . 4.190 3.470 3.250 3.794 . 0 0 "[ . 1 . 2]" 1
38 1 8 VAL MG2 1 50 TYR QE . . 4.190 2.315 1.998 3.016 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLY H 1 10 THR H . . 4.570 2.512 2.279 2.925 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLY H 1 11 ILE MD . . 5.500 4.123 3.710 4.611 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLY HA2 1 12 ASP H . . 4.580 3.988 3.910 4.082 . 0 0 "[ . 1 . 2]" 1
42 1 9 GLY HA2 1 12 ASP HB2 . . 4.500 3.561 3.212 3.738 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLY HA2 1 12 ASP QB . . 3.800 3.112 3.009 3.256 . 0 0 "[ . 1 . 2]" 1
44 1 9 GLY HA2 1 12 ASP HB3 . . 4.500 3.475 3.235 3.797 . 0 0 "[ . 1 . 2]" 1
45 1 9 GLY HA3 1 12 ASP H . . 5.210 5.194 5.144 5.213 0.003 11 0 "[ . 1 . 2]" 1
46 1 9 GLY HA3 1 12 ASP HB2 . . 5.420 5.241 4.876 5.421 0.001 15 0 "[ . 1 . 2]" 1
47 1 9 GLY HA3 1 12 ASP QB . . 4.650 4.523 4.420 4.619 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLY HA3 1 12 ASP HB3 . . 5.420 4.970 4.756 5.274 . 0 0 "[ . 1 . 2]" 1
49 1 10 THR H 1 10 THR HB . . 3.940 2.521 2.445 2.583 . 0 0 "[ . 1 . 2]" 1
50 1 10 THR H 1 10 THR MG . . 4.750 3.770 3.758 3.777 . 0 0 "[ . 1 . 2]" 1
51 1 10 THR HA 1 10 THR MG . . 3.190 2.311 2.262 2.457 . 0 0 "[ . 1 . 2]" 1
52 1 10 THR HA 1 13 GLN H . . 4.510 3.777 3.648 3.890 . 0 0 "[ . 1 . 2]" 1
53 1 10 THR HA 1 13 GLN HB2 . . 3.940 3.291 3.086 3.432 . 0 0 "[ . 1 . 2]" 1
54 1 10 THR HA 1 13 GLN QG . . 5.270 4.004 3.471 4.828 . 0 0 "[ . 1 . 2]" 1
55 1 10 THR HA 1 37 TYR QE . . 5.470 5.187 4.956 5.396 . 0 0 "[ . 1 . 2]" 1
56 1 10 THR HB 1 11 ILE H . . 3.370 2.496 2.278 2.725 . 0 0 "[ . 1 . 2]" 1
57 1 10 THR HB 1 11 ILE HA . . 4.820 4.203 4.104 4.298 . 0 0 "[ . 1 . 2]" 1
58 1 10 THR HB 1 11 ILE HB . . 5.070 5.015 4.902 5.068 . 0 0 "[ . 1 . 2]" 1
59 1 10 THR HB 1 11 ILE MD . . 4.780 3.689 3.424 3.871 . 0 0 "[ . 1 . 2]" 1
60 1 10 THR HB 1 11 ILE HG13 . . 4.390 3.244 3.080 3.406 . 0 0 "[ . 1 . 2]" 1
61 1 10 THR HB 1 37 TYR QE . . 5.500 4.117 3.892 4.468 . 0 0 "[ . 1 . 2]" 1
62 1 10 THR HB 1 39 PHE QE . . 5.230 4.137 3.699 4.443 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR MG 1 11 ILE H . . 3.890 3.403 3.279 3.609 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR MG 1 11 ILE HA . . 4.540 3.526 3.412 3.651 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR MG 1 11 ILE MD . . 4.670 4.508 4.305 4.638 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR MG 1 11 ILE HG12 . . 5.500 4.969 4.765 5.120 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR MG 1 13 GLN HB2 . . 4.710 3.756 3.458 4.011 . 0 0 "[ . 1 . 2]" 1
68 1 10 THR MG 1 14 LEU H . . 4.700 3.724 3.476 3.980 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR MG 1 14 LEU MD1 . . 5.500 4.323 3.927 4.584 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR MG 1 14 LEU MD2 . . 5.240 3.547 3.172 3.922 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR MG 1 31 LEU MD2 . . 5.500 4.986 4.563 5.229 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR MG 1 36 ALA MB . . 4.230 3.197 2.824 3.488 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR MG 1 37 TYR QD . . 3.880 3.481 3.144 3.720 . 0 0 "[ . 1 . 2]" 1
74 1 10 THR MG 1 37 TYR QE . . 3.450 2.026 1.947 2.167 . 0 0 "[ . 1 . 2]" 1
75 1 10 THR MG 1 39 PHE QE . . 4.920 4.102 3.722 4.535 . 0 0 "[ . 1 . 2]" 1
76 1 10 THR MG 1 39 PHE HZ . . 5.110 4.206 3.413 4.752 . 0 0 "[ . 1 . 2]" 1
77 1 11 ILE H 1 11 ILE HB . . 3.840 2.617 2.528 2.771 . 0 0 "[ . 1 . 2]" 1
78 1 11 ILE H 1 11 ILE MD . . 4.210 2.575 2.237 2.728 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE H 1 11 ILE HG12 . . 4.150 3.664 3.475 3.783 . 0 0 "[ . 1 . 2]" 1
80 1 11 ILE H 1 11 ILE HG13 . . 3.700 2.177 1.900 2.359 . 0 0 "[ . 1 . 2]" 1
81 1 11 ILE H 1 11 ILE MG . . 4.410 3.762 3.747 3.765 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE H 1 12 ASP H . . 3.980 2.883 2.793 3.027 . 0 0 "[ . 1 . 2]" 1
83 1 11 ILE HA 1 11 ILE MD . . 3.890 3.813 3.746 3.877 . 0 0 "[ . 1 . 2]" 1
84 1 11 ILE HA 1 11 ILE HG12 . . 3.750 3.119 3.036 3.255 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE HA 1 11 ILE HG13 . . 3.630 2.519 2.420 2.625 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE HA 1 11 ILE MG . . 3.330 2.331 2.263 2.396 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE HA 1 14 LEU H . . 3.950 3.087 2.949 3.255 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE HA 1 14 LEU HB2 . . 3.660 3.238 3.078 3.443 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE HA 1 14 LEU HB3 . . 3.960 2.163 2.047 2.275 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE HA 1 14 LEU MD1 . . 4.940 4.814 4.747 4.906 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE HA 1 14 LEU MD2 . . 3.990 3.025 2.897 3.229 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE HA 1 15 VAL H . . 4.910 3.360 3.199 3.542 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE HA 1 37 TYR QE . . 5.370 3.850 3.281 4.480 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE HA 1 39 PHE HZ . . 4.250 3.741 3.425 3.991 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE HA 1 51 TYR QD . . 4.880 4.705 4.527 4.859 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE HB 1 11 ILE MD . . 3.230 2.087 2.019 2.160 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE HB 1 12 ASP H . . 3.920 2.281 2.175 2.507 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE HB 1 12 ASP HA . . 4.850 4.078 3.983 4.180 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE HB 1 50 TYR QD . . 4.350 3.301 3.170 3.437 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MD 1 11 ILE MG . . 3.040 2.720 2.596 2.846 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE MD 1 12 ASP H . . 4.870 3.774 3.603 3.900 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE MD 1 39 PHE QD . . 4.950 3.741 3.527 3.984 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MD 1 39 PHE QE . . 4.130 3.214 2.979 3.473 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE MD 1 39 PHE HZ . . 4.090 3.495 3.316 3.738 . 0 0 "[ . 1 . 2]" 1
105 1 11 ILE MD 1 47 GLU H . . 5.170 4.227 4.122 4.308 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE MD 1 47 GLU HA . . 3.400 2.048 1.955 2.144 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE MD 1 47 GLU QB . . 3.450 1.992 1.932 2.100 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE MD 1 47 GLU QG . . 3.830 2.856 2.439 3.060 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE MD 1 48 TYR H . . 5.500 4.374 4.235 4.542 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE MD 1 50 TYR H . . 4.850 3.954 3.774 4.160 . 0 0 "[ . 1 . 2]" 1
111 1 11 ILE MD 1 50 TYR HB2 . . 3.940 2.562 2.341 2.760 . 0 0 "[ . 1 . 2]" 1
112 1 11 ILE MD 1 50 TYR HB3 . . 4.250 3.524 3.376 3.679 . 0 0 "[ . 1 . 2]" 1
113 1 11 ILE MD 1 50 TYR QD . . 3.670 3.591 3.497 3.666 . 0 0 "[ . 1 . 2]" 1
114 1 11 ILE MD 1 50 TYR QE . . 4.730 4.713 4.615 4.737 0.007 2 0 "[ . 1 . 2]" 1
115 1 11 ILE MD 1 51 TYR H . . 5.500 3.769 3.515 4.016 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE MD 1 51 TYR HA . . 5.500 5.247 5.024 5.470 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE HG12 1 39 PHE QE . . 4.630 2.916 2.543 3.162 . 0 0 "[ . 1 . 2]" 1
118 1 11 ILE HG12 1 39 PHE HZ . . 4.210 2.420 2.076 3.132 . 0 0 "[ . 1 . 2]" 1
119 1 11 ILE HG13 1 11 ILE MG . . 3.590 3.019 2.957 3.062 . 0 0 "[ . 1 . 2]" 1
120 1 11 ILE HG13 1 37 TYR QD . . 4.860 4.150 3.787 4.445 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE HG13 1 39 PHE HZ . . 4.200 2.641 2.370 2.989 . 0 0 "[ . 1 . 2]" 1
122 1 11 ILE HG13 1 47 GLU HA . . 4.890 4.780 4.631 4.894 0.004 15 0 "[ . 1 . 2]" 1
123 1 11 ILE HG13 1 50 TYR HB3 . . 5.500 5.414 5.296 5.507 0.007 16 0 "[ . 1 . 2]" 1
124 1 11 ILE MG 1 12 ASP H . . 4.340 3.238 3.051 3.476 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE MG 1 12 ASP HA . . 3.710 3.445 3.233 3.681 . 0 0 "[ . 1 . 2]" 1
126 1 11 ILE MG 1 14 LEU H . . 4.720 4.350 4.101 4.562 . 0 0 "[ . 1 . 2]" 1
127 1 11 ILE MG 1 14 LEU HB3 . . 4.500 3.195 2.985 3.442 . 0 0 "[ . 1 . 2]" 1
128 1 11 ILE MG 1 14 LEU MD2 . . 4.200 3.375 3.111 3.653 . 0 0 "[ . 1 . 2]" 1
129 1 11 ILE MG 1 15 VAL H . . 4.400 3.062 2.902 3.325 . 0 0 "[ . 1 . 2]" 1
130 1 11 ILE MG 1 39 PHE QE . . 4.910 3.541 3.013 3.915 . 0 0 "[ . 1 . 2]" 1
131 1 11 ILE MG 1 39 PHE HZ . . 4.850 3.583 2.827 4.056 . 0 0 "[ . 1 . 2]" 1
132 1 11 ILE MG 1 47 GLU HA . . 5.110 4.532 4.316 4.650 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE MG 1 50 TYR H . . 4.350 3.799 3.553 3.940 . 0 0 "[ . 1 . 2]" 1
134 1 11 ILE MG 1 50 TYR HA . . 4.410 3.943 3.792 4.050 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE MG 1 50 TYR HB2 . . 3.620 2.237 2.005 2.494 . 0 0 "[ . 1 . 2]" 1
136 1 11 ILE MG 1 50 TYR HB3 . . 3.850 2.065 1.971 2.200 . 0 0 "[ . 1 . 2]" 1
137 1 11 ILE MG 1 50 TYR QD . . 3.610 3.360 3.201 3.540 . 0 0 "[ . 1 . 2]" 1
138 1 11 ILE MG 1 51 TYR H . . 4.130 2.125 1.915 2.342 . 0 0 "[ . 1 . 2]" 1
139 1 11 ILE MG 1 51 TYR HA . . 3.320 2.402 2.304 2.555 . 0 0 "[ . 1 . 2]" 1
140 1 11 ILE MG 1 51 TYR HB2 . . 3.940 2.432 2.025 2.678 . 0 0 "[ . 1 . 2]" 1
141 1 11 ILE MG 1 51 TYR QB . . 3.430 2.394 2.009 2.627 . 0 0 "[ . 1 . 2]" 1
142 1 11 ILE MG 1 51 TYR HB3 . . 3.940 3.588 3.325 3.802 . 0 0 "[ . 1 . 2]" 1
143 1 11 ILE MG 1 51 TYR QD . . 3.240 3.124 3.029 3.194 . 0 0 "[ . 1 . 2]" 1
144 1 11 ILE MG 1 52 LYS H . . 4.990 4.376 4.239 4.517 . 0 0 "[ . 1 . 2]" 1
145 1 12 ASP H 1 12 ASP HB2 . . 4.100 2.319 2.147 2.444 . 0 0 "[ . 1 . 2]" 1
146 1 12 ASP H 1 12 ASP QB . . 3.520 2.210 2.110 2.272 . 0 0 "[ . 1 . 2]" 1
147 1 12 ASP H 1 12 ASP HB3 . . 4.100 2.841 2.671 3.107 . 0 0 "[ . 1 . 2]" 1
148 1 12 ASP H 1 13 GLN H . . 3.740 2.917 2.774 3.009 . 0 0 "[ . 1 . 2]" 1
149 1 12 ASP H 1 13 GLN HB2 . . 5.420 5.113 5.003 5.214 . 0 0 "[ . 1 . 2]" 1
150 1 12 ASP H 1 14 LEU H . . 4.990 4.434 4.245 4.579 . 0 0 "[ . 1 . 2]" 1
151 1 12 ASP HA 1 14 LEU H . . 5.160 4.905 4.637 5.071 . 0 0 "[ . 1 . 2]" 1
152 1 12 ASP HA 1 15 VAL H . . 4.610 4.467 4.256 4.606 . 0 0 "[ . 1 . 2]" 1
153 1 12 ASP HA 1 15 VAL HB . . 3.840 3.588 3.409 3.680 . 0 0 "[ . 1 . 2]" 1
154 1 12 ASP HA 1 15 VAL MG1 . . 5.080 4.637 4.509 4.744 . 0 0 "[ . 1 . 2]" 1
155 1 12 ASP HA 1 16 LYS H . . 4.650 4.633 4.557 4.653 0.003 12 0 "[ . 1 . 2]" 1
156 1 12 ASP HA 1 50 TYR QE . . 5.500 5.502 5.484 5.510 0.010 15 0 "[ . 1 . 2]" 1
157 1 12 ASP HA 1 54 LYS HB3 . . 5.300 4.268 4.029 4.532 . 0 0 "[ . 1 . 2]" 1
158 1 12 ASP HA 1 54 LYS HD3 . . 4.410 3.452 3.267 3.613 . 0 0 "[ . 1 . 2]" 1
159 1 12 ASP HA 1 54 LYS HG2 . . 4.000 2.722 2.381 2.934 . 0 0 "[ . 1 . 2]" 1
160 1 12 ASP HA 1 54 LYS HG3 . . 5.220 4.442 4.085 4.671 . 0 0 "[ . 1 . 2]" 1
161 1 12 ASP QB 1 13 GLN H . . 3.600 2.734 2.583 2.903 . 0 0 "[ . 1 . 2]" 1
162 1 12 ASP QB 1 54 LYS HD3 . . 5.340 4.264 3.829 4.502 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLN H 1 13 GLN HB2 . . 3.040 2.377 2.298 2.439 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLN H 1 13 GLN HB3 . . 3.760 3.602 3.567 3.633 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLN H 1 13 GLN QG . . 3.380 2.704 2.450 2.952 . 0 0 "[ . 1 . 2]" 1
166 1 13 GLN H 1 14 LEU H . . 3.560 2.401 2.288 2.516 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLN H 1 15 VAL H . . 4.450 4.312 4.166 4.450 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLN HA 1 13 GLN HG2 . . 3.820 2.566 2.237 2.988 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLN HA 1 13 GLN QG . . 3.260 2.356 2.210 2.482 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLN HA 1 13 GLN HG3 . . 3.820 3.044 2.407 3.720 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLN HA 1 16 LYS H . . 4.000 3.746 3.586 3.875 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLN HA 1 16 LYS HB3 . . 3.640 2.904 2.630 3.164 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLN HA 1 16 LYS QD . . 3.850 2.366 1.992 2.875 . 0 0 "[ . 1 . 2]" 1
174 1 13 GLN HA 1 16 LYS HG2 . . 4.830 3.758 3.518 4.526 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLN HB2 1 14 LEU H . . 3.400 2.540 2.383 2.752 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLN HB2 1 14 LEU HA . . 4.430 4.337 4.247 4.428 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLN HB3 1 14 LEU H . . 3.920 3.450 3.226 3.624 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLN QG 1 14 LEU H . . 4.540 4.132 3.994 4.276 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLN QG 1 16 LYS HB3 . . 5.290 4.826 4.531 5.179 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLN QG 1 16 LYS QD . . 4.380 3.419 2.961 3.843 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLN HG2 1 14 LEU H . . 5.330 4.906 4.458 5.184 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLN HG2 1 16 LYS QD . . 5.200 3.545 3.008 3.994 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLN HG3 1 14 LEU H . . 5.330 4.461 4.285 4.718 . 0 0 "[ . 1 . 2]" 1
184 1 13 GLN HG3 1 16 LYS QD . . 5.200 4.569 3.898 5.096 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU H 1 14 LEU HB2 . . 3.400 2.579 2.520 2.702 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU H 1 14 LEU HB3 . . 3.350 2.437 2.324 2.497 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU H 1 14 LEU MD1 . . 4.600 4.093 4.064 4.174 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU H 1 14 LEU MD2 . . 4.510 4.188 4.143 4.251 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU H 1 15 VAL H . . 3.640 3.006 2.794 3.151 . 0 0 "[ . 1 . 2]" 1
190 1 14 LEU H 1 15 VAL HB . . 5.290 4.888 4.687 5.027 . 0 0 "[ . 1 . 2]" 1
191 1 14 LEU H 1 15 VAL MG2 . . 4.910 4.762 4.562 4.850 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU H 1 37 TYR QE . . 4.920 4.592 4.238 4.886 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU HA 1 14 LEU MD1 . . 3.170 2.014 1.977 2.082 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU HA 1 14 LEU MD2 . . 4.310 3.904 3.874 3.933 . 0 0 "[ . 1 . 2]" 1
195 1 14 LEU HA 1 17 ARG H . . 3.730 3.515 3.346 3.617 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU HA 1 17 ARG HB2 . . 3.610 3.408 3.136 3.616 0.006 10 0 "[ . 1 . 2]" 1
197 1 14 LEU HA 1 17 ARG HD2 . . 4.000 2.584 2.136 2.877 . 0 0 "[ . 1 . 2]" 1
198 1 14 LEU HA 1 17 ARG HD3 . . 4.390 4.167 3.798 4.392 0.002 15 0 "[ . 1 . 2]" 1
199 1 14 LEU HA 1 17 ARG HG2 . . 4.090 3.965 3.760 4.090 0.000 9 0 "[ . 1 . 2]" 1
200 1 14 LEU HA 1 17 ARG HG3 . . 3.800 2.290 2.051 2.466 . 0 0 "[ . 1 . 2]" 1
201 1 14 LEU HA 1 18 VAL MG1 . . 4.720 4.661 4.295 4.723 0.003 17 0 "[ . 1 . 2]" 1
202 1 14 LEU HA 1 37 TYR QE . . 5.230 4.794 4.496 4.980 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU HB2 1 15 VAL H . . 4.600 3.708 3.640 3.797 . 0 0 "[ . 1 . 2]" 1
204 1 14 LEU HB2 1 15 VAL MG2 . . 5.270 5.002 4.896 5.094 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU HB2 1 37 TYR QD . . 5.340 4.467 4.105 4.711 . 0 0 "[ . 1 . 2]" 1
206 1 14 LEU HB2 1 37 TYR QE . . 3.640 2.604 2.393 2.778 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU HB3 1 14 LEU MD2 . . 3.550 2.270 2.204 2.361 . 0 0 "[ . 1 . 2]" 1
208 1 14 LEU HB3 1 15 VAL H . . 3.320 2.225 2.129 2.352 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU HB3 1 18 VAL MG1 . . 5.500 5.160 4.793 5.367 . 0 0 "[ . 1 . 2]" 1
210 1 14 LEU HB3 1 37 TYR QD . . 5.500 4.809 4.655 5.028 . 0 0 "[ . 1 . 2]" 1
211 1 14 LEU HB3 1 37 TYR QE . . 4.350 3.608 3.358 3.890 . 0 0 "[ . 1 . 2]" 1
212 1 14 LEU HB3 1 39 PHE HZ . . 5.500 4.665 4.422 5.079 . 0 0 "[ . 1 . 2]" 1
213 1 14 LEU HB3 1 51 TYR QE . . 5.490 5.302 5.062 5.482 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU MD1 1 15 VAL H . . 4.270 4.099 3.991 4.179 . 0 0 "[ . 1 . 2]" 1
215 1 14 LEU MD1 1 17 ARG H . . 5.030 4.217 3.938 4.410 . 0 0 "[ . 1 . 2]" 1
216 1 14 LEU MD1 1 17 ARG HB2 . . 4.010 2.951 2.634 3.197 . 0 0 "[ . 1 . 2]" 1
217 1 14 LEU MD1 1 17 ARG HB3 . . 4.380 4.116 3.832 4.366 . 0 0 "[ . 1 . 2]" 1
218 1 14 LEU MD1 1 17 ARG HD2 . . 4.100 2.543 2.223 2.815 . 0 0 "[ . 1 . 2]" 1
219 1 14 LEU MD1 1 17 ARG HD3 . . 4.060 3.807 3.467 4.035 . 0 0 "[ . 1 . 2]" 1
220 1 14 LEU MD1 1 18 VAL H . . 4.300 3.695 3.432 4.000 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU MD1 1 18 VAL MG2 . . 4.520 4.094 3.595 4.494 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU MD1 1 31 LEU MD1 . . 2.660 1.787 1.669 1.984 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU MD1 1 31 LEU MD2 . . 3.320 2.177 1.909 2.591 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU MD1 1 37 TYR QD . . 4.530 4.226 3.980 4.520 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU MD1 1 37 TYR QE . . 4.020 3.249 2.905 3.534 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU MD1 1 51 TYR QE . . 4.680 3.898 3.409 4.251 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU MD2 1 15 VAL H . . 4.400 3.792 3.593 3.949 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU MD2 1 18 VAL MG1 . . 4.830 3.856 3.651 4.146 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU MD2 1 31 LEU MD2 . . 3.630 2.913 2.558 3.241 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU MD2 1 36 ALA MB . . 5.500 5.163 4.974 5.357 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU MD2 1 37 TYR QD . . 3.480 2.522 2.338 2.656 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU MD2 1 37 TYR QE . . 3.380 2.260 1.964 2.536 . 0 0 "[ . 1 . 2]" 1
233 1 14 LEU MD2 1 39 PHE QE . . 4.270 3.609 3.144 3.892 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU MD2 1 39 PHE HZ . . 3.790 2.968 2.611 3.420 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU MD2 1 40 LEU MD2 . . 3.690 3.113 2.740 3.450 . 0 0 "[ . 1 . 2]" 1
236 1 14 LEU MD2 1 51 TYR HA . . 5.350 4.628 4.227 4.992 . 0 0 "[ . 1 . 2]" 1
237 1 14 LEU MD2 1 51 TYR QD . . 3.780 2.644 2.345 2.975 . 0 0 "[ . 1 . 2]" 1
238 1 14 LEU MD2 1 51 TYR QE . . 3.260 3.037 2.756 3.259 . 0 0 "[ . 1 . 2]" 1
239 1 14 LEU HG 1 15 VAL H . . 3.960 3.057 2.937 3.198 . 0 0 "[ . 1 . 2]" 1
240 1 14 LEU HG 1 15 VAL HA . . 4.730 3.267 3.181 3.386 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU HG 1 15 VAL MG1 . . 5.480 5.217 5.149 5.334 . 0 0 "[ . 1 . 2]" 1
242 1 14 LEU HG 1 15 VAL MG2 . . 3.710 3.499 3.259 3.688 . 0 0 "[ . 1 . 2]" 1
243 1 14 LEU HG 1 18 VAL MG1 . . 3.490 3.147 2.797 3.393 . 0 0 "[ . 1 . 2]" 1
244 1 14 LEU HG 1 37 TYR QE . . 4.830 4.651 4.405 4.832 0.002 6 0 "[ . 1 . 2]" 1
245 1 14 LEU HG 1 51 TYR QE . . 3.510 3.329 2.973 3.497 . 0 0 "[ . 1 . 2]" 1
246 1 15 VAL H 1 15 VAL HB . . 3.220 2.467 2.425 2.519 . 0 0 "[ . 1 . 2]" 1
247 1 15 VAL H 1 15 VAL MG1 . . 3.920 3.760 3.745 3.772 . 0 0 "[ . 1 . 2]" 1
248 1 15 VAL H 1 15 VAL MG2 . . 3.150 2.334 2.213 2.434 . 0 0 "[ . 1 . 2]" 1
249 1 15 VAL H 1 16 LYS H . . 3.600 3.009 2.872 3.155 . 0 0 "[ . 1 . 2]" 1
250 1 15 VAL H 1 16 LYS HB3 . . 4.940 4.840 4.704 4.938 . 0 0 "[ . 1 . 2]" 1
251 1 15 VAL H 1 51 TYR QD . . 5.040 4.091 3.842 4.297 . 0 0 "[ . 1 . 2]" 1
252 1 15 VAL H 1 51 TYR QE . . 5.500 5.349 5.127 5.501 0.001 4 0 "[ . 1 . 2]" 1
253 1 15 VAL HA 1 15 VAL MG1 . . 3.260 2.495 2.470 2.547 . 0 0 "[ . 1 . 2]" 1
254 1 15 VAL HA 1 15 VAL MG2 . . 3.090 2.251 2.168 2.307 . 0 0 "[ . 1 . 2]" 1
255 1 15 VAL HA 1 17 ARG H . . 4.940 4.088 3.873 4.214 . 0 0 "[ . 1 . 2]" 1
256 1 15 VAL HA 1 18 VAL H . . 3.960 3.725 3.545 3.832 . 0 0 "[ . 1 . 2]" 1
257 1 15 VAL HA 1 18 VAL MG1 . . 3.860 3.322 2.621 3.610 . 0 0 "[ . 1 . 2]" 1
258 1 15 VAL HA 1 18 VAL MG2 . . 4.640 2.071 1.871 2.686 . 0 0 "[ . 1 . 2]" 1
259 1 15 VAL HA 1 19 ILE H . . 5.040 4.447 4.364 4.519 . 0 0 "[ . 1 . 2]" 1
260 1 15 VAL HA 1 19 ILE HG12 . . 4.780 4.020 3.901 4.130 . 0 0 "[ . 1 . 2]" 1
261 1 15 VAL HA 1 51 TYR QD . . 3.950 3.735 3.625 3.908 . 0 0 "[ . 1 . 2]" 1
262 1 15 VAL HA 1 51 TYR QE . . 4.230 4.039 3.887 4.176 . 0 0 "[ . 1 . 2]" 1
263 1 15 VAL HA 1 55 LEU MD1 . . 3.680 3.222 2.939 3.464 . 0 0 "[ . 1 . 2]" 1
264 1 15 VAL HA 1 55 LEU MD2 . . 4.680 4.629 4.449 4.681 0.001 13 0 "[ . 1 . 2]" 1
265 1 15 VAL HB 1 16 LYS H . . 3.350 2.498 2.302 2.648 . 0 0 "[ . 1 . 2]" 1
266 1 15 VAL HB 1 16 LYS HA . . 4.490 4.400 4.351 4.450 . 0 0 "[ . 1 . 2]" 1
267 1 15 VAL HB 1 17 ARG H . . 5.100 4.906 4.790 4.996 . 0 0 "[ . 1 . 2]" 1
268 1 15 VAL HB 1 55 LEU HA . . 5.390 4.772 4.584 4.898 . 0 0 "[ . 1 . 2]" 1
269 1 15 VAL MG1 1 16 LYS H . . 3.830 2.971 2.704 3.170 . 0 0 "[ . 1 . 2]" 1
270 1 15 VAL MG1 1 16 LYS HA . . 3.860 3.129 2.888 3.265 . 0 0 "[ . 1 . 2]" 1
271 1 15 VAL MG1 1 16 LYS HB2 . . 5.270 4.607 4.287 4.706 . 0 0 "[ . 1 . 2]" 1
272 1 15 VAL MG1 1 17 ARG H . . 5.080 4.539 4.390 4.661 . 0 0 "[ . 1 . 2]" 1
273 1 15 VAL MG1 1 19 ILE H . . 4.120 4.082 3.956 4.127 0.007 19 0 "[ . 1 . 2]" 1
274 1 15 VAL MG1 1 19 ILE HG12 . . 3.170 2.613 2.447 2.732 . 0 0 "[ . 1 . 2]" 1
275 1 15 VAL MG1 1 51 TYR HA . . 4.770 4.032 3.889 4.187 . 0 0 "[ . 1 . 2]" 1
276 1 15 VAL MG1 1 54 LYS H . . 4.760 4.411 4.242 4.688 . 0 0 "[ . 1 . 2]" 1
277 1 15 VAL MG1 1 54 LYS QE . . 4.880 4.371 4.116 4.583 . 0 0 "[ . 1 . 2]" 1
278 1 15 VAL MG1 1 54 LYS HG3 . . 4.110 2.941 2.785 3.266 . 0 0 "[ . 1 . 2]" 1
279 1 15 VAL MG1 1 55 LEU H . . 4.030 2.784 2.561 3.049 . 0 0 "[ . 1 . 2]" 1
280 1 15 VAL MG1 1 55 LEU HA . . 2.810 2.026 1.928 2.121 . 0 0 "[ . 1 . 2]" 1
281 1 15 VAL MG1 1 55 LEU HB2 . . 4.310 2.684 2.496 2.835 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL MG1 1 56 ALA H . . 4.900 4.485 4.360 4.655 . 0 0 "[ . 1 . 2]" 1
283 1 15 VAL MG1 1 58 MET H . . 4.320 4.109 3.982 4.223 . 0 0 "[ . 1 . 2]" 1
284 1 15 VAL MG1 1 58 MET HA . . 5.060 5.016 4.913 5.066 0.006 12 0 "[ . 1 . 2]" 1
285 1 15 VAL MG1 1 58 MET ME . . 3.310 2.968 2.572 3.303 . 0 0 "[ . 1 . 2]" 1
286 1 15 VAL MG1 1 58 MET QG . . 3.220 2.239 1.972 2.992 . 0 0 "[ . 1 . 2]" 1
287 1 15 VAL MG1 1 59 GLN H . . 5.260 4.872 4.726 5.037 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL MG2 1 16 LYS H . . 4.080 3.930 3.834 3.994 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL MG2 1 50 TYR QD . . 5.470 4.864 4.596 5.058 . 0 0 "[ . 1 . 2]" 1
290 1 15 VAL MG2 1 51 TYR HA . . 3.450 1.951 1.881 2.033 . 0 0 "[ . 1 . 2]" 1
291 1 15 VAL MG2 1 51 TYR QB . . 4.030 3.352 3.264 3.470 . 0 0 "[ . 1 . 2]" 1
292 1 15 VAL MG2 1 51 TYR QD . . 3.040 2.413 2.217 2.615 . 0 0 "[ . 1 . 2]" 1
293 1 15 VAL MG2 1 51 TYR QE . . 4.100 3.861 3.675 4.103 0.003 20 0 "[ . 1 . 2]" 1
294 1 15 VAL MG2 1 54 LYS H . . 4.260 4.000 3.814 4.198 . 0 0 "[ . 1 . 2]" 1
295 1 15 VAL MG2 1 54 LYS HB2 . . 3.370 3.161 2.896 3.378 0.008 1 0 "[ . 1 . 2]" 1
296 1 15 VAL MG2 1 54 LYS HB3 . . 3.380 2.143 1.932 2.317 . 0 0 "[ . 1 . 2]" 1
297 1 15 VAL MG2 1 55 LEU H . . 3.490 2.928 2.699 3.272 . 0 0 "[ . 1 . 2]" 1
298 1 15 VAL MG2 1 55 LEU HA . . 3.930 3.409 3.246 3.549 . 0 0 "[ . 1 . 2]" 1
299 1 15 VAL MG2 1 55 LEU MD1 . . 3.260 3.171 2.960 3.261 0.001 16 0 "[ . 1 . 2]" 1
300 1 15 VAL MG2 1 58 MET ME . . 5.500 5.198 4.905 5.501 0.001 12 0 "[ . 1 . 2]" 1
301 1 16 LYS H 1 16 LYS HB2 . . 3.480 3.344 3.056 3.422 . 0 0 "[ . 1 . 2]" 1
302 1 16 LYS H 1 16 LYS HB3 . . 3.010 2.096 2.071 2.156 . 0 0 "[ . 1 . 2]" 1
303 1 16 LYS H 1 16 LYS QD . . 4.200 3.940 3.782 4.210 0.010 1 0 "[ . 1 . 2]" 1
304 1 16 LYS H 1 16 LYS HG2 . . 4.180 3.386 3.168 3.979 . 0 0 "[ . 1 . 2]" 1
305 1 16 LYS H 1 16 LYS HG3 . . 4.590 4.344 4.249 4.568 . 0 0 "[ . 1 . 2]" 1
306 1 16 LYS H 1 17 ARG H . . 3.250 2.824 2.712 2.966 . 0 0 "[ . 1 . 2]" 1
307 1 16 LYS H 1 17 ARG HG3 . . 5.110 4.274 4.028 4.487 . 0 0 "[ . 1 . 2]" 1
308 1 16 LYS H 1 54 LYS HG2 . . 5.020 4.589 4.333 4.948 . 0 0 "[ . 1 . 2]" 1
309 1 16 LYS H 1 58 MET ME . . 5.020 3.734 3.330 4.099 . 0 0 "[ . 1 . 2]" 1
310 1 16 LYS HA 1 16 LYS QD . . 4.330 4.265 4.183 4.300 . 0 0 "[ . 1 . 2]" 1
311 1 16 LYS HA 1 16 LYS HG2 . . 3.790 3.671 3.533 3.722 . 0 0 "[ . 1 . 2]" 1
312 1 16 LYS HA 1 16 LYS HG3 . . 3.620 3.455 3.123 3.565 . 0 0 "[ . 1 . 2]" 1
313 1 16 LYS HA 1 19 ILE H . . 4.050 3.781 3.581 3.959 . 0 0 "[ . 1 . 2]" 1
314 1 16 LYS HA 1 19 ILE HB . . 3.550 2.783 2.457 3.065 . 0 0 "[ . 1 . 2]" 1
315 1 16 LYS HA 1 19 ILE MD . . 4.410 4.375 4.249 4.421 0.011 18 0 "[ . 1 . 2]" 1
316 1 16 LYS HA 1 19 ILE HG13 . . 3.320 2.794 2.627 2.854 . 0 0 "[ . 1 . 2]" 1
317 1 16 LYS HA 1 19 ILE MG . . 4.460 3.907 3.620 4.124 . 0 0 "[ . 1 . 2]" 1
318 1 16 LYS HA 1 20 GLU H . . 4.700 4.177 3.873 4.488 . 0 0 "[ . 1 . 2]" 1
319 1 16 LYS HA 1 20 GLU QG . . 4.020 3.754 3.495 4.030 0.010 18 0 "[ . 1 . 2]" 1
320 1 16 LYS HA 1 58 MET ME . . 3.760 2.003 1.881 2.195 . 0 0 "[ . 1 . 2]" 1
321 1 16 LYS HB2 1 16 LYS QE . . 4.580 3.745 3.081 4.224 . 0 0 "[ . 1 . 2]" 1
322 1 16 LYS HB3 1 16 LYS QD . . 3.230 2.279 2.127 2.368 . 0 0 "[ . 1 . 2]" 1
323 1 16 LYS HB3 1 16 LYS QE . . 4.520 3.924 3.562 4.117 . 0 0 "[ . 1 . 2]" 1
324 1 16 LYS HB3 1 17 ARG H . . 3.820 3.435 3.023 3.553 . 0 0 "[ . 1 . 2]" 1
325 1 16 LYS HB3 1 58 MET QG . . 5.500 5.205 4.931 5.508 0.008 8 0 "[ . 1 . 2]" 1
326 1 16 LYS QD 1 16 LYS HG2 . . 2.620 2.260 2.145 2.484 . 0 0 "[ . 1 . 2]" 1
327 1 16 LYS QD 1 20 GLU QG . . 5.060 4.680 4.182 5.028 . 0 0 "[ . 1 . 2]" 1
328 1 16 LYS QE 1 16 LYS HG2 . . 3.610 2.682 2.128 3.033 . 0 0 "[ . 1 . 2]" 1
329 1 16 LYS QE 1 16 LYS HG3 . . 3.550 2.274 1.985 2.787 . 0 0 "[ . 1 . 2]" 1
330 1 16 LYS QE 1 17 ARG HG2 . . 4.770 3.453 2.383 4.105 . 0 0 "[ . 1 . 2]" 1
331 1 16 LYS QE 1 20 GLU QG . . 5.250 4.087 3.471 5.046 . 0 0 "[ . 1 . 2]" 1
332 1 16 LYS HG2 1 17 ARG H . . 4.570 2.233 2.070 2.642 . 0 0 "[ . 1 . 2]" 1
333 1 16 LYS HG2 1 17 ARG HA . . 5.020 3.224 2.903 3.357 . 0 0 "[ . 1 . 2]" 1
334 1 16 LYS HG2 1 17 ARG HG2 . . 3.900 2.670 2.481 2.980 . 0 0 "[ . 1 . 2]" 1
335 1 16 LYS HG2 1 17 ARG HG3 . . 3.240 2.806 2.629 3.252 0.012 19 0 "[ . 1 . 2]" 1
336 1 16 LYS HG2 1 20 GLU QG . . 4.450 4.153 3.307 4.453 0.003 6 0 "[ . 1 . 2]" 1
337 1 16 LYS HG3 1 17 ARG H . . 4.690 3.479 3.278 3.990 . 0 0 "[ . 1 . 2]" 1
338 1 16 LYS HG3 1 17 ARG HA . . 4.030 3.426 3.256 3.943 . 0 0 "[ . 1 . 2]" 1
339 1 16 LYS HG3 1 20 GLU QG . . 4.700 2.900 2.385 3.216 . 0 0 "[ . 1 . 2]" 1
340 1 16 LYS HG3 1 58 MET ME . . 4.340 4.101 3.480 4.336 . 0 0 "[ . 1 . 2]" 1
341 1 17 ARG H 1 17 ARG HB2 . . 3.640 2.640 2.561 2.747 . 0 0 "[ . 1 . 2]" 1
342 1 17 ARG H 1 17 ARG HB3 . . 3.650 3.588 3.572 3.603 . 0 0 "[ . 1 . 2]" 1
343 1 17 ARG H 1 17 ARG HD2 . . 4.750 4.247 3.995 4.420 . 0 0 "[ . 1 . 2]" 1
344 1 17 ARG H 1 17 ARG HD3 . . 4.760 4.644 4.520 4.729 . 0 0 "[ . 1 . 2]" 1
345 1 17 ARG H 1 17 ARG HG2 . . 2.930 2.906 2.753 2.935 0.005 5 0 "[ . 1 . 2]" 1
346 1 17 ARG H 1 17 ARG HG3 . . 3.760 2.120 1.899 2.301 . 0 0 "[ . 1 . 2]" 1
347 1 17 ARG H 1 18 VAL H . . 3.560 2.935 2.787 3.034 . 0 0 "[ . 1 . 2]" 1
348 1 17 ARG H 1 18 VAL MG1 . . 4.740 4.365 3.777 4.695 . 0 0 "[ . 1 . 2]" 1
349 1 17 ARG H 1 18 VAL MG2 . . 5.500 3.868 3.532 4.349 . 0 0 "[ . 1 . 2]" 1
350 1 17 ARG H 1 23 LEU MD2 . . 4.760 4.473 4.296 4.559 . 0 0 "[ . 1 . 2]" 1
351 1 17 ARG HA 1 17 ARG HD2 . . 5.050 4.819 4.745 4.916 . 0 0 "[ . 1 . 2]" 1
352 1 17 ARG HA 1 17 ARG HD3 . . 4.600 4.108 3.966 4.302 . 0 0 "[ . 1 . 2]" 1
353 1 17 ARG HA 1 17 ARG HG2 . . 3.280 2.565 2.466 2.699 . 0 0 "[ . 1 . 2]" 1
354 1 17 ARG HA 1 17 ARG HG3 . . 3.700 3.405 3.339 3.497 . 0 0 "[ . 1 . 2]" 1
355 1 17 ARG HA 1 19 ILE H . . 4.840 3.818 3.755 3.940 . 0 0 "[ . 1 . 2]" 1
356 1 17 ARG HA 1 20 GLU H . . 3.830 3.534 3.350 3.738 . 0 0 "[ . 1 . 2]" 1
357 1 17 ARG HA 1 20 GLU HB2 . . 4.030 3.660 3.514 4.031 0.001 8 0 "[ . 1 . 2]" 1
358 1 17 ARG HA 1 20 GLU QG . . 3.360 3.350 3.282 3.368 0.008 12 0 "[ . 1 . 2]" 1
359 1 17 ARG HA 1 22 SER HB2 . . 4.200 4.026 3.873 4.200 . 0 0 "[ . 1 . 2]" 1
360 1 17 ARG HA 1 23 LEU MD2 . . 5.070 3.560 3.220 3.757 . 0 0 "[ . 1 . 2]" 1
361 1 17 ARG HB2 1 17 ARG HD2 . . 3.720 2.866 2.754 2.991 . 0 0 "[ . 1 . 2]" 1
362 1 17 ARG HB2 1 17 ARG HD3 . . 3.360 2.970 2.773 3.116 . 0 0 "[ . 1 . 2]" 1
363 1 17 ARG HB2 1 18 VAL MG1 . . 5.500 3.007 2.766 3.326 . 0 0 "[ . 1 . 2]" 1
364 1 17 ARG HB2 1 22 SER HB3 . . 4.810 4.822 4.816 4.831 0.021 16 0 "[ . 1 . 2]" 1
365 1 17 ARG HB2 1 23 LEU QB . . 4.090 3.324 3.134 3.510 . 0 0 "[ . 1 . 2]" 1
366 1 17 ARG HB2 1 23 LEU MD2 . . 3.430 2.552 2.350 2.663 . 0 0 "[ . 1 . 2]" 1
367 1 17 ARG HB3 1 17 ARG HD2 . . 3.540 3.146 2.996 3.318 . 0 0 "[ . 1 . 2]" 1
368 1 17 ARG HB3 1 17 ARG HD3 . . 3.290 2.202 2.113 2.297 . 0 0 "[ . 1 . 2]" 1
369 1 17 ARG HB3 1 18 VAL H . . 4.230 3.241 3.085 3.492 . 0 0 "[ . 1 . 2]" 1
370 1 17 ARG HB3 1 18 VAL HA . . 4.630 4.400 4.290 4.503 . 0 0 "[ . 1 . 2]" 1
371 1 17 ARG HB3 1 18 VAL MG1 . . 5.080 4.100 3.801 4.400 . 0 0 "[ . 1 . 2]" 1
372 1 17 ARG HB3 1 23 LEU H . . 4.430 3.223 3.004 3.417 . 0 0 "[ . 1 . 2]" 1
373 1 17 ARG HB3 1 23 LEU QB . . 4.870 2.172 1.985 2.557 . 0 0 "[ . 1 . 2]" 1
374 1 17 ARG HB3 1 23 LEU MD2 . . 3.500 2.379 2.174 2.499 . 0 0 "[ . 1 . 2]" 1
375 1 17 ARG HD2 1 23 LEU MD1 . . 5.070 3.704 3.379 4.056 . 0 0 "[ . 1 . 2]" 1
376 1 17 ARG HD2 1 23 LEU MD2 . . 4.510 4.412 4.265 4.514 0.004 20 0 "[ . 1 . 2]" 1
377 1 17 ARG HD3 1 23 LEU MD1 . . 5.190 3.529 3.128 3.865 . 0 0 "[ . 1 . 2]" 1
378 1 17 ARG HD3 1 23 LEU MD2 . . 3.920 3.849 3.706 3.928 0.008 20 0 "[ . 1 . 2]" 1
379 1 17 ARG HG2 1 23 LEU MD2 . . 4.530 4.531 4.365 4.556 0.026 14 0 "[ . 1 . 2]" 1
380 1 17 ARG HG3 1 18 VAL H . . 4.080 3.851 3.665 3.999 . 0 0 "[ . 1 . 2]" 1
381 1 17 ARG HG3 1 23 LEU MD2 . . 5.000 4.525 4.398 4.576 . 0 0 "[ . 1 . 2]" 1
382 1 18 VAL H 1 18 VAL HB . . 3.730 3.610 3.546 3.635 . 0 0 "[ . 1 . 2]" 1
383 1 18 VAL H 1 18 VAL MG1 . . 3.100 2.041 1.824 2.435 . 0 0 "[ . 1 . 2]" 1
384 1 18 VAL H 1 18 VAL MG2 . . 3.700 2.330 1.928 2.785 . 0 0 "[ . 1 . 2]" 1
385 1 18 VAL H 1 23 LEU MD2 . . 3.550 2.456 2.247 2.718 . 0 0 "[ . 1 . 2]" 1
386 1 18 VAL HA 1 18 VAL MG1 . . 3.100 2.366 2.156 2.525 . 0 0 "[ . 1 . 2]" 1
387 1 18 VAL HA 1 18 VAL MG2 . . 3.200 3.191 3.158 3.202 0.002 9 0 "[ . 1 . 2]" 1
388 1 18 VAL HA 1 19 ILE HA . . 4.960 4.721 4.684 4.744 . 0 0 "[ . 1 . 2]" 1
389 1 18 VAL HA 1 20 GLU H . . 5.250 5.029 4.727 5.258 0.008 19 0 "[ . 1 . 2]" 1
390 1 18 VAL HA 1 21 GLY H . . 4.280 3.644 3.431 3.841 . 0 0 "[ . 1 . 2]" 1
391 1 18 VAL HA 1 21 GLY QA . . 4.670 3.438 3.248 3.663 . 0 0 "[ . 1 . 2]" 1
392 1 18 VAL HA 1 22 SER H . . 5.500 5.349 5.175 5.492 . 0 0 "[ . 1 . 2]" 1
393 1 18 VAL HA 1 23 LEU H . . 4.430 4.310 4.135 4.429 . 0 0 "[ . 1 . 2]" 1
394 1 18 VAL HA 1 23 LEU QB . . 4.740 4.554 4.489 4.633 . 0 0 "[ . 1 . 2]" 1
395 1 18 VAL HA 1 23 LEU MD1 . . 4.820 3.659 3.435 3.802 . 0 0 "[ . 1 . 2]" 1
396 1 18 VAL HA 1 23 LEU MD2 . . 4.150 1.824 1.780 1.868 . 0 0 "[ . 1 . 2]" 1
397 1 18 VAL HA 1 23 LEU HG . . 5.290 4.187 3.976 4.314 . 0 0 "[ . 1 . 2]" 1
398 1 18 VAL HB 1 23 LEU MD2 . . 5.120 3.466 3.215 3.688 . 0 0 "[ . 1 . 2]" 1
399 1 18 VAL HB 1 28 ARG HG2 . . 4.370 4.039 3.547 4.275 . 0 0 "[ . 1 . 2]" 1
400 1 18 VAL HB 1 31 LEU MD1 . . 5.500 5.341 5.031 5.503 0.003 19 0 "[ . 1 . 2]" 1
401 1 18 VAL HB 1 55 LEU MD1 . . 3.840 3.249 2.674 3.767 . 0 0 "[ . 1 . 2]" 1
402 1 18 VAL HB 1 55 LEU MD2 . . 4.620 4.310 3.859 4.631 0.011 1 0 "[ . 1 . 2]" 1
403 1 18 VAL MG1 1 23 LEU H . . 5.500 5.167 4.991 5.284 . 0 0 "[ . 1 . 2]" 1
404 1 18 VAL MG1 1 23 LEU MD1 . . 3.690 2.319 2.168 2.507 . 0 0 "[ . 1 . 2]" 1
405 1 18 VAL MG1 1 23 LEU MD2 . . 3.520 2.003 1.915 2.201 . 0 0 "[ . 1 . 2]" 1
406 1 18 VAL MG1 1 28 ARG HD2 . . 5.300 2.589 1.949 3.662 . 0 0 "[ . 1 . 2]" 1
407 1 18 VAL MG1 1 28 ARG QD . . 4.600 2.129 1.929 2.728 . 0 0 "[ . 1 . 2]" 1
408 1 18 VAL MG1 1 28 ARG HD3 . . 5.300 2.941 1.943 4.131 . 0 0 "[ . 1 . 2]" 1
409 1 18 VAL MG1 1 28 ARG HG2 . . 3.850 2.034 1.901 2.437 . 0 0 "[ . 1 . 2]" 1
410 1 18 VAL MG1 1 51 TYR QE . . 4.100 2.667 2.360 2.957 . 0 0 "[ . 1 . 2]" 1
411 1 18 VAL MG2 1 19 ILE H . . 3.870 2.310 2.148 2.545 . 0 0 "[ . 1 . 2]" 1
412 1 18 VAL MG2 1 19 ILE HA . . 4.090 3.266 3.058 3.564 . 0 0 "[ . 1 . 2]" 1
413 1 18 VAL MG2 1 19 ILE HG12 . . 3.260 2.089 1.983 2.252 . 0 0 "[ . 1 . 2]" 1
414 1 18 VAL MG2 1 21 GLY H . . 5.500 4.836 4.681 5.067 . 0 0 "[ . 1 . 2]" 1
415 1 18 VAL MG2 1 28 ARG QD . . 4.100 3.997 3.726 4.105 0.005 20 0 "[ . 1 . 2]" 1
416 1 18 VAL MG2 1 59 GLN QE . . 5.340 4.619 3.772 5.244 . 0 0 "[ . 1 . 2]" 1
417 1 18 VAL MG2 1 59 GLN HG3 . . 5.190 4.708 4.402 5.051 . 0 0 "[ . 1 . 2]" 1
418 1 19 ILE H 1 19 ILE HB . . 3.160 2.469 2.416 2.518 . 0 0 "[ . 1 . 2]" 1
419 1 19 ILE H 1 19 ILE MD . . 3.840 3.792 3.668 3.846 0.006 7 0 "[ . 1 . 2]" 1
420 1 19 ILE H 1 19 ILE HG12 . . 3.380 2.369 2.251 2.446 . 0 0 "[ . 1 . 2]" 1
421 1 19 ILE H 1 19 ILE HG13 . . 3.590 3.460 3.373 3.596 0.006 2 0 "[ . 1 . 2]" 1
422 1 19 ILE H 1 19 ILE MG . . 3.760 3.763 3.745 3.776 0.016 3 0 "[ . 1 . 2]" 1
423 1 19 ILE H 1 20 GLU H . . 3.200 2.671 2.542 2.796 . 0 0 "[ . 1 . 2]" 1
424 1 19 ILE H 1 20 GLU QG . . 4.780 3.997 3.899 4.118 . 0 0 "[ . 1 . 2]" 1
425 1 19 ILE H 1 21 GLY H . . 4.750 3.427 3.358 3.495 . 0 0 "[ . 1 . 2]" 1
426 1 19 ILE H 1 55 LEU MD1 . . 3.970 3.930 3.777 3.981 0.011 8 0 "[ . 1 . 2]" 1
427 1 19 ILE HA 1 19 ILE MD . . 3.060 2.338 2.238 2.398 . 0 0 "[ . 1 . 2]" 1
428 1 19 ILE HA 1 19 ILE HG12 . . 3.320 2.717 2.678 2.810 . 0 0 "[ . 1 . 2]" 1
429 1 19 ILE HA 1 19 ILE MG . . 3.070 2.388 2.363 2.418 . 0 0 "[ . 1 . 2]" 1
430 1 19 ILE HA 1 20 GLU QG . . 5.460 4.670 4.579 4.787 . 0 0 "[ . 1 . 2]" 1
431 1 19 ILE HA 1 21 GLY H . . 4.080 4.009 3.911 4.090 0.010 3 0 "[ . 1 . 2]" 1
432 1 19 ILE HA 1 55 LEU MD1 . . 3.620 3.563 3.278 3.629 0.009 8 0 "[ . 1 . 2]" 1
433 1 19 ILE HA 1 59 GLN HG2 . . 4.100 3.870 3.452 4.044 . 0 0 "[ . 1 . 2]" 1
434 1 19 ILE HA 1 59 GLN HG3 . . 5.500 4.800 4.199 5.072 . 0 0 "[ . 1 . 2]" 1
435 1 19 ILE HB 1 19 ILE MD . . 3.600 3.184 3.173 3.209 . 0 0 "[ . 1 . 2]" 1
436 1 19 ILE HB 1 20 GLU H . . 2.960 2.230 2.060 2.426 . 0 0 "[ . 1 . 2]" 1
437 1 19 ILE HB 1 21 GLY H . . 4.560 4.376 4.264 4.483 . 0 0 "[ . 1 . 2]" 1
438 1 19 ILE MD 1 20 GLU H . . 4.760 4.680 4.605 4.773 0.013 14 0 "[ . 1 . 2]" 1
439 1 19 ILE MD 1 20 GLU QG . . 5.110 4.919 4.855 5.004 . 0 0 "[ . 1 . 2]" 1
440 1 19 ILE MD 1 55 LEU HA . . 3.080 2.312 2.025 2.662 . 0 0 "[ . 1 . 2]" 1
441 1 19 ILE MD 1 58 MET H . . 4.030 3.653 3.430 3.772 . 0 0 "[ . 1 . 2]" 1
442 1 19 ILE MD 1 58 MET HA . . 3.970 3.723 3.615 3.864 . 0 0 "[ . 1 . 2]" 1
443 1 19 ILE MD 1 58 MET QB . . 2.740 1.829 1.751 1.961 . 0 0 "[ . 1 . 2]" 1
444 1 19 ILE MD 1 58 MET ME . . 3.420 3.267 3.070 3.429 0.009 15 0 "[ . 1 . 2]" 1
445 1 19 ILE MD 1 58 MET QG . . 3.630 3.462 3.347 3.646 0.016 12 0 "[ . 1 . 2]" 1
446 1 19 ILE MD 1 59 GLN H . . 3.990 2.787 2.532 3.021 . 0 0 "[ . 1 . 2]" 1
447 1 19 ILE MD 1 59 GLN HA . . 3.550 2.583 2.355 2.727 . 0 0 "[ . 1 . 2]" 1
448 1 19 ILE MD 1 59 GLN HB2 . . 4.200 3.538 3.331 3.702 . 0 0 "[ . 1 . 2]" 1
449 1 19 ILE MD 1 59 GLN HB3 . . 5.120 4.073 3.909 4.207 . 0 0 "[ . 1 . 2]" 1
450 1 19 ILE MD 1 59 GLN QE . . 4.760 3.662 3.097 4.060 . 0 0 "[ . 1 . 2]" 1
451 1 19 ILE MD 1 59 GLN HG2 . . 3.520 2.125 1.923 2.315 . 0 0 "[ . 1 . 2]" 1
452 1 19 ILE MD 1 59 GLN HG3 . . 3.400 2.408 2.025 2.584 . 0 0 "[ . 1 . 2]" 1
453 1 19 ILE HG12 1 20 GLU H . . 4.550 4.243 4.154 4.320 . 0 0 "[ . 1 . 2]" 1
454 1 19 ILE HG12 1 21 GLY H . . 5.500 5.447 5.334 5.504 0.004 12 0 "[ . 1 . 2]" 1
455 1 19 ILE HG12 1 55 LEU MD1 . . 3.400 2.428 2.253 2.540 . 0 0 "[ . 1 . 2]" 1
456 1 19 ILE HG12 1 58 MET QG . . 5.210 4.577 4.359 5.045 . 0 0 "[ . 1 . 2]" 1
457 1 19 ILE HG12 1 59 GLN HG3 . . 4.800 4.632 4.244 4.810 0.010 12 0 "[ . 1 . 2]" 1
458 1 19 ILE HG13 1 19 ILE MG . . 3.020 2.567 2.425 2.614 . 0 0 "[ . 1 . 2]" 1
459 1 19 ILE HG13 1 20 GLU H . . 4.840 4.488 4.316 4.660 . 0 0 "[ . 1 . 2]" 1
460 1 19 ILE HG13 1 20 GLU QG . . 5.380 4.641 4.563 4.678 . 0 0 "[ . 1 . 2]" 1
461 1 19 ILE HG13 1 55 LEU HA . . 3.940 3.691 3.511 3.868 . 0 0 "[ . 1 . 2]" 1
462 1 19 ILE HG13 1 55 LEU MD1 . . 3.470 3.298 3.008 3.467 . 0 0 "[ . 1 . 2]" 1
463 1 19 ILE HG13 1 58 MET QB . . 3.700 2.190 1.944 2.335 . 0 0 "[ . 1 . 2]" 1
464 1 19 ILE HG13 1 58 MET ME . . 3.670 2.274 1.981 2.566 . 0 0 "[ . 1 . 2]" 1
465 1 19 ILE HG13 1 58 MET QG . . 5.130 3.185 2.907 3.615 . 0 0 "[ . 1 . 2]" 1
466 1 19 ILE HG13 1 59 GLN HG3 . . 5.500 5.144 4.803 5.355 . 0 0 "[ . 1 . 2]" 1
467 1 19 ILE MG 1 20 GLU H . . 3.840 2.998 2.842 3.163 . 0 0 "[ . 1 . 2]" 1
468 1 19 ILE MG 1 20 GLU HA . . 3.800 3.246 3.138 3.327 . 0 0 "[ . 1 . 2]" 1
469 1 19 ILE MG 1 20 GLU HB2 . . 4.970 4.880 4.805 4.974 0.004 4 0 "[ . 1 . 2]" 1
470 1 19 ILE MG 1 20 GLU HB3 . . 4.930 4.603 4.373 4.745 . 0 0 "[ . 1 . 2]" 1
471 1 19 ILE MG 1 20 GLU QG . . 3.740 2.711 2.446 2.924 . 0 0 "[ . 1 . 2]" 1
472 1 19 ILE MG 1 21 GLY H . . 5.500 4.515 4.445 4.609 . 0 0 "[ . 1 . 2]" 1
473 1 19 ILE MG 1 58 MET ME . . 3.280 2.497 1.958 2.815 . 0 0 "[ . 1 . 2]" 1
474 1 19 ILE MG 1 58 MET QG . . 4.560 4.133 3.736 4.389 . 0 0 "[ . 1 . 2]" 1
475 1 19 ILE MG 1 59 GLN H . . 5.500 4.412 4.066 4.612 . 0 0 "[ . 1 . 2]" 1
476 1 19 ILE MG 1 59 GLN HA . . 3.930 3.167 2.834 3.509 . 0 0 "[ . 1 . 2]" 1
477 1 19 ILE MG 1 59 GLN HG2 . . 3.770 3.442 3.063 3.754 . 0 0 "[ . 1 . 2]" 1
478 1 19 ILE MG 1 59 GLN HG3 . . 5.500 4.483 3.981 4.840 . 0 0 "[ . 1 . 2]" 1
479 1 20 GLU H 1 20 GLU HB2 . . 3.090 2.836 2.757 2.942 . 0 0 "[ . 1 . 2]" 1
480 1 20 GLU H 1 20 GLU HB3 . . 3.610 3.574 3.538 3.624 0.014 14 0 "[ . 1 . 2]" 1
481 1 20 GLU H 1 20 GLU QG . . 3.520 1.920 1.851 2.047 . 0 0 "[ . 1 . 2]" 1
482 1 20 GLU H 1 21 GLY H . . 3.260 2.511 2.370 2.639 . 0 0 "[ . 1 . 2]" 1
483 1 20 GLU H 1 58 MET ME . . 4.950 4.401 3.687 4.768 . 0 0 "[ . 1 . 2]" 1
484 1 20 GLU HA 1 20 GLU QG . . 3.410 2.741 2.677 2.794 . 0 0 "[ . 1 . 2]" 1
485 1 20 GLU HB2 1 21 GLY H . . 4.000 3.319 3.102 3.446 . 0 0 "[ . 1 . 2]" 1
486 1 20 GLU HB2 1 22 SER H . . 4.410 2.358 2.330 2.396 . 0 0 "[ . 1 . 2]" 1
487 1 20 GLU HB3 1 21 GLY H . . 4.690 4.339 4.206 4.415 . 0 0 "[ . 1 . 2]" 1
488 1 20 GLU HB3 1 22 SER H . . 4.230 3.733 3.613 3.949 . 0 0 "[ . 1 . 2]" 1
489 1 20 GLU HB3 1 22 SER HB2 . . 4.960 4.204 4.055 4.494 . 0 0 "[ . 1 . 2]" 1
490 1 20 GLU QG 1 21 GLY H . . 4.370 3.850 3.702 3.917 . 0 0 "[ . 1 . 2]" 1
491 1 20 GLU QG 1 22 SER H . . 4.080 3.985 3.783 4.079 . 0 0 "[ . 1 . 2]" 1
492 1 20 GLU QG 1 22 SER HB2 . . 5.500 4.225 4.048 4.381 . 0 0 "[ . 1 . 2]" 1
493 1 20 GLU QG 1 22 SER HB3 . . 4.570 4.363 4.123 4.569 . 0 0 "[ . 1 . 2]" 1
494 1 21 GLY H 1 22 SER H . . 3.240 2.627 2.515 2.712 . 0 0 "[ . 1 . 2]" 1
495 1 21 GLY H 1 22 SER HA . . 5.300 5.194 5.098 5.267 . 0 0 "[ . 1 . 2]" 1
496 1 21 GLY H 1 23 LEU QB . . 5.500 5.536 5.514 5.553 0.053 17 0 "[ . 1 . 2]" 1
497 1 22 SER H 1 22 SER HB2 . . 3.870 2.572 2.481 2.620 . 0 0 "[ . 1 . 2]" 1
498 1 22 SER H 1 22 SER HB3 . . 3.400 2.560 2.511 2.681 . 0 0 "[ . 1 . 2]" 1
499 1 22 SER H 1 23 LEU H . . 3.250 2.885 2.854 2.937 . 0 0 "[ . 1 . 2]" 1
500 1 22 SER H 1 23 LEU QB . . 5.370 4.865 4.801 4.915 . 0 0 "[ . 1 . 2]" 1
501 1 22 SER HA 1 23 LEU QB . . 5.490 5.109 5.050 5.155 . 0 0 "[ . 1 . 2]" 1
502 1 22 SER HB2 1 23 LEU H . . 4.240 4.161 4.049 4.195 . 0 0 "[ . 1 . 2]" 1
503 1 22 SER HB2 1 23 LEU QB . . 5.500 5.343 5.293 5.404 . 0 0 "[ . 1 . 2]" 1
504 1 22 SER HB3 1 23 LEU H . . 3.700 3.013 2.879 3.062 . 0 0 "[ . 1 . 2]" 1
505 1 22 SER HB3 1 23 LEU HA . . 5.230 4.664 4.523 4.729 . 0 0 "[ . 1 . 2]" 1
506 1 22 SER HB3 1 23 LEU QB . . 5.360 3.841 3.750 3.923 . 0 0 "[ . 1 . 2]" 1
507 1 23 LEU H 1 23 LEU QB . . 3.020 2.482 2.402 2.554 . 0 0 "[ . 1 . 2]" 1
508 1 23 LEU H 1 23 LEU MD1 . . 4.570 4.180 4.140 4.225 . 0 0 "[ . 1 . 2]" 1
509 1 23 LEU H 1 23 LEU MD2 . . 4.080 1.930 1.866 2.146 . 0 0 "[ . 1 . 2]" 1
510 1 23 LEU H 1 23 LEU HG . . 4.400 3.599 3.458 3.739 . 0 0 "[ . 1 . 2]" 1
511 1 23 LEU H 1 24 SER H . . 4.970 4.498 4.445 4.533 . 0 0 "[ . 1 . 2]" 1
512 1 23 LEU HA 1 23 LEU MD1 . . 4.170 3.973 3.946 4.009 . 0 0 "[ . 1 . 2]" 1
513 1 23 LEU HA 1 23 LEU MD2 . . 3.960 3.663 3.626 3.706 . 0 0 "[ . 1 . 2]" 1
514 1 23 LEU HA 1 23 LEU HG . . 4.210 3.527 3.490 3.568 . 0 0 "[ . 1 . 2]" 1
515 1 23 LEU HA 1 24 SER H . . 3.180 2.200 2.166 2.242 . 0 0 "[ . 1 . 2]" 1
516 1 23 LEU HA 1 24 SER QB . . 5.340 4.188 4.095 4.706 . 0 0 "[ . 1 . 2]" 1
517 1 23 LEU HA 1 27 GLU HB2 . . 4.570 4.472 4.293 4.572 0.002 14 0 "[ . 1 . 2]" 1
518 1 23 LEU HA 1 27 GLU HB3 . . 5.040 5.005 4.937 5.045 0.005 10 0 "[ . 1 . 2]" 1
519 1 23 LEU QB 1 23 LEU MD2 . . 3.080 2.148 2.046 2.256 . 0 0 "[ . 1 . 2]" 1
520 1 23 LEU QB 1 24 SER H . . 4.110 3.089 2.950 3.220 . 0 0 "[ . 1 . 2]" 1
521 1 23 LEU QB 1 27 GLU HB2 . . 3.970 3.425 3.203 3.535 . 0 0 "[ . 1 . 2]" 1
522 1 23 LEU QB 1 27 GLU HB3 . . 4.410 3.220 3.098 3.315 . 0 0 "[ . 1 . 2]" 1
523 1 23 LEU QB 1 27 GLU HG2 . . 5.500 4.974 3.492 5.148 . 0 0 "[ . 1 . 2]" 1
524 1 23 LEU QB 1 27 GLU QG . . 4.750 3.555 3.417 3.666 . 0 0 "[ . 1 . 2]" 1
525 1 23 LEU QB 1 27 GLU HG3 . . 5.500 3.705 3.485 4.910 . 0 0 "[ . 1 . 2]" 1
526 1 23 LEU QB 1 28 ARG H . . 5.090 4.922 4.801 5.048 . 0 0 "[ . 1 . 2]" 1
527 1 23 LEU QB 1 28 ARG HA . . 5.500 5.415 5.320 5.504 0.004 7 0 "[ . 1 . 2]" 1
528 1 23 LEU MD1 1 24 SER H . . 4.520 4.284 4.100 4.458 . 0 0 "[ . 1 . 2]" 1
529 1 23 LEU MD1 1 27 GLU H . . 4.880 4.386 4.200 4.532 . 0 0 "[ . 1 . 2]" 1
530 1 23 LEU MD1 1 27 GLU HB2 . . 3.680 3.058 2.901 3.214 . 0 0 "[ . 1 . 2]" 1
531 1 23 LEU MD1 1 27 GLU HB3 . . 3.330 2.311 2.171 2.606 . 0 0 "[ . 1 . 2]" 1
532 1 23 LEU MD1 1 27 GLU HG2 . . 4.770 4.735 4.025 4.779 0.009 7 0 "[ . 1 . 2]" 1
533 1 23 LEU MD1 1 27 GLU QG . . 4.150 3.855 3.811 3.899 . 0 0 "[ . 1 . 2]" 1
534 1 23 LEU MD1 1 27 GLU HG3 . . 4.770 4.106 4.008 4.740 . 0 0 "[ . 1 . 2]" 1
535 1 23 LEU MD1 1 28 ARG H . . 4.510 2.747 2.598 2.842 . 0 0 "[ . 1 . 2]" 1
536 1 23 LEU MD1 1 28 ARG HA . . 3.670 2.643 2.503 2.805 . 0 0 "[ . 1 . 2]" 1
537 1 23 LEU MD1 1 28 ARG HB2 . . 4.520 3.931 3.725 4.131 . 0 0 "[ . 1 . 2]" 1
538 1 23 LEU MD1 1 28 ARG HD2 . . 4.940 3.896 3.292 4.613 . 0 0 "[ . 1 . 2]" 1
539 1 23 LEU MD1 1 28 ARG QD . . 4.350 3.444 3.168 3.896 . 0 0 "[ . 1 . 2]" 1
540 1 23 LEU MD1 1 28 ARG HD3 . . 4.940 4.010 3.576 4.344 . 0 0 "[ . 1 . 2]" 1
541 1 23 LEU MD1 1 28 ARG HG2 . . 3.350 2.153 1.945 2.313 . 0 0 "[ . 1 . 2]" 1
542 1 23 LEU MD1 1 28 ARG HG3 . . 4.120 2.265 2.013 2.555 . 0 0 "[ . 1 . 2]" 1
543 1 23 LEU MD1 1 31 LEU MD2 . . 4.470 3.101 2.957 3.267 . 0 0 "[ . 1 . 2]" 1
544 1 23 LEU MD2 1 24 SER H . . 5.010 4.495 4.350 4.593 . 0 0 "[ . 1 . 2]" 1
545 1 23 LEU MD2 1 27 GLU HB2 . . 5.500 4.780 4.584 4.957 . 0 0 "[ . 1 . 2]" 1
546 1 23 LEU MD2 1 28 ARG HA . . 4.830 4.616 4.415 4.833 0.003 20 0 "[ . 1 . 2]" 1
547 1 23 LEU MD2 1 28 ARG HD2 . . 4.760 3.293 2.279 4.416 . 0 0 "[ . 1 . 2]" 1
548 1 23 LEU MD2 1 28 ARG QD . . 4.190 2.722 2.177 3.262 . 0 0 "[ . 1 . 2]" 1
549 1 23 LEU MD2 1 28 ARG HD3 . . 4.760 3.392 2.194 4.298 . 0 0 "[ . 1 . 2]" 1
550 1 23 LEU MD2 1 28 ARG HG3 . . 5.290 2.911 2.614 3.232 . 0 0 "[ . 1 . 2]" 1
551 1 23 LEU HG 1 24 SER H . . 4.850 3.507 3.353 3.611 . 0 0 "[ . 1 . 2]" 1
552 1 23 LEU HG 1 25 PRO HA . . 5.500 4.404 4.356 4.453 . 0 0 "[ . 1 . 2]" 1
553 1 23 LEU HG 1 27 GLU HB2 . . 4.650 3.305 3.061 3.536 . 0 0 "[ . 1 . 2]" 1
554 1 23 LEU HG 1 27 GLU HB3 . . 3.870 3.619 3.424 3.870 . 0 0 "[ . 1 . 2]" 1
555 1 23 LEU HG 1 28 ARG H . . 4.220 3.648 3.402 3.909 . 0 0 "[ . 1 . 2]" 1
556 1 24 SER H 1 24 SER HB2 . . 4.000 2.193 2.072 3.489 . 0 0 "[ . 1 . 2]" 1
557 1 24 SER H 1 24 SER QB . . 3.360 2.141 2.052 2.823 . 0 0 "[ . 1 . 2]" 1
558 1 24 SER H 1 24 SER HB3 . . 4.000 3.398 2.983 3.531 . 0 0 "[ . 1 . 2]" 1
559 1 24 SER H 1 25 PRO QD . . 5.260 4.328 4.312 4.341 . 0 0 "[ . 1 . 2]" 1
560 1 24 SER H 1 27 GLU H . . 4.600 4.409 4.264 4.569 . 0 0 "[ . 1 . 2]" 1
561 1 24 SER H 1 27 GLU HB2 . . 3.620 3.142 2.985 3.309 . 0 0 "[ . 1 . 2]" 1
562 1 24 SER H 1 27 GLU HB3 . . 4.700 4.358 4.143 4.597 . 0 0 "[ . 1 . 2]" 1
563 1 24 SER H 1 27 GLU HG2 . . 5.050 4.657 3.786 4.993 . 0 0 "[ . 1 . 2]" 1
564 1 24 SER H 1 27 GLU QG . . 4.330 3.304 3.096 3.685 . 0 0 "[ . 1 . 2]" 1
565 1 24 SER H 1 27 GLU HG3 . . 5.050 3.437 3.150 5.050 . 0 0 "[ . 1 . 2]" 1
566 1 24 SER H 1 28 ARG H . . 5.500 5.503 5.488 5.511 0.011 11 0 "[ . 1 . 2]" 1
567 1 24 SER QB 1 25 PRO QB . . 5.140 4.587 4.496 4.657 . 0 0 "[ . 1 . 2]" 1
568 1 24 SER QB 1 25 PRO QD . . 3.420 2.146 1.972 2.294 . 0 0 "[ . 1 . 2]" 1
569 1 24 SER QB 1 26 LYS H . . 5.190 2.374 2.225 2.537 . 0 0 "[ . 1 . 2]" 1
570 1 24 SER QB 1 27 GLU H . . 3.950 2.590 2.424 2.847 . 0 0 "[ . 1 . 2]" 1
571 1 24 SER QB 1 27 GLU HB2 . . 4.210 2.876 2.600 3.555 . 0 0 "[ . 1 . 2]" 1
572 1 24 SER QB 1 27 GLU HB3 . . 5.340 4.383 4.111 5.141 . 0 0 "[ . 1 . 2]" 1
573 1 24 SER QB 1 27 GLU QG . . 4.470 3.050 2.585 4.047 . 0 0 "[ . 1 . 2]" 1
574 1 25 PRO HA 1 27 GLU H . . 5.500 4.501 4.315 4.674 . 0 0 "[ . 1 . 2]" 1
575 1 25 PRO HA 1 28 ARG H . . 4.040 3.910 3.786 3.978 . 0 0 "[ . 1 . 2]" 1
576 1 25 PRO HA 1 28 ARG HB2 . . 3.820 3.747 3.559 3.821 0.001 15 0 "[ . 1 . 2]" 1
577 1 25 PRO HA 1 28 ARG HD2 . . 4.550 4.205 2.956 4.551 0.001 15 0 "[ . 1 . 2]" 1
578 1 25 PRO HA 1 28 ARG QD . . 3.770 3.354 2.912 3.771 0.001 5 0 "[ . 1 . 2]" 1
579 1 25 PRO HA 1 28 ARG HD3 . . 4.550 3.763 3.058 4.550 0.000 11 0 "[ . 1 . 2]" 1
580 1 25 PRO HA 1 28 ARG HG2 . . 5.430 5.023 4.581 5.324 . 0 0 "[ . 1 . 2]" 1
581 1 25 PRO HA 1 28 ARG HG3 . . 4.610 3.415 3.052 3.790 . 0 0 "[ . 1 . 2]" 1
582 1 25 PRO HA 1 29 THR H . . 5.500 5.185 4.969 5.351 . 0 0 "[ . 1 . 2]" 1
583 1 25 PRO QD 1 26 LYS H . . 5.080 2.610 2.601 2.643 . 0 0 "[ . 1 . 2]" 1
584 1 25 PRO HG2 1 26 LYS HB2 . . 4.090 3.460 3.368 3.573 . 0 0 "[ . 1 . 2]" 1
585 1 26 LYS H 1 27 GLU H . . 4.460 2.471 2.295 2.607 . 0 0 "[ . 1 . 2]" 1
586 1 26 LYS HA 1 26 LYS QD . . 3.910 2.384 1.984 2.757 . 0 0 "[ . 1 . 2]" 1
587 1 26 LYS HA 1 26 LYS HG2 . . 4.120 3.728 3.689 3.782 . 0 0 "[ . 1 . 2]" 1
588 1 26 LYS HA 1 26 LYS QG . . 3.370 2.638 2.476 2.801 . 0 0 "[ . 1 . 2]" 1
589 1 26 LYS HA 1 26 LYS HG3 . . 4.120 2.699 2.515 2.893 . 0 0 "[ . 1 . 2]" 1
590 1 26 LYS HA 1 28 ARG H . . 4.370 4.229 4.080 4.349 . 0 0 "[ . 1 . 2]" 1
591 1 26 LYS HA 1 29 THR H . . 3.770 3.519 3.411 3.625 . 0 0 "[ . 1 . 2]" 1
592 1 26 LYS HA 1 29 THR HB . . 3.460 3.136 2.950 3.269 . 0 0 "[ . 1 . 2]" 1
593 1 26 LYS HA 1 29 THR MG . . 4.620 4.476 4.293 4.600 . 0 0 "[ . 1 . 2]" 1
594 1 26 LYS HA 1 30 LEU H . . 4.870 4.590 4.441 4.844 . 0 0 "[ . 1 . 2]" 1
595 1 26 LYS HA 1 30 LEU MD1 . . 5.500 4.539 4.216 4.729 . 0 0 "[ . 1 . 2]" 1
596 1 26 LYS HA 1 30 LEU MD2 . . 5.500 5.121 4.976 5.340 . 0 0 "[ . 1 . 2]" 1
597 1 26 LYS HA 1 30 LEU HG . . 4.650 4.250 4.077 4.463 . 0 0 "[ . 1 . 2]" 1
598 1 26 LYS HB2 1 27 GLU H . . 3.950 3.800 3.619 3.936 . 0 0 "[ . 1 . 2]" 1
599 1 26 LYS HB2 1 30 LEU MD1 . . 5.500 4.579 4.185 4.807 . 0 0 "[ . 1 . 2]" 1
600 1 26 LYS HB3 1 27 GLU H . . 3.640 2.669 2.483 2.888 . 0 0 "[ . 1 . 2]" 1
601 1 26 LYS HB3 1 27 GLU QG . . 4.520 4.286 4.107 4.507 . 0 0 "[ . 1 . 2]" 1
602 1 26 LYS HB3 1 30 LEU MD1 . . 4.910 3.325 3.089 3.572 . 0 0 "[ . 1 . 2]" 1
603 1 26 LYS QD 1 29 THR MG . . 4.340 3.954 3.391 4.337 . 0 0 "[ . 1 . 2]" 1
604 1 26 LYS QD 1 30 LEU MD1 . . 5.390 4.337 3.596 4.621 . 0 0 "[ . 1 . 2]" 1
605 1 26 LYS QD 1 30 LEU MD2 . . 5.500 4.148 3.282 4.768 . 0 0 "[ . 1 . 2]" 1
606 1 26 LYS QE 1 26 LYS HG2 . . 3.420 2.293 1.972 3.104 . 0 0 "[ . 1 . 2]" 1
607 1 26 LYS QE 1 26 LYS HG3 . . 3.420 2.657 2.128 3.178 . 0 0 "[ . 1 . 2]" 1
608 1 26 LYS QE 1 29 THR MG . . 5.500 4.246 2.590 5.383 . 0 0 "[ . 1 . 2]" 1
609 1 26 LYS QE 1 30 LEU MD1 . . 4.380 3.998 3.525 4.244 . 0 0 "[ . 1 . 2]" 1
610 1 26 LYS QE 1 30 LEU MD2 . . 4.730 3.491 2.904 4.243 . 0 0 "[ . 1 . 2]" 1
611 1 26 LYS QG 1 27 GLU H . . 4.290 3.915 3.709 4.103 . 0 0 "[ . 1 . 2]" 1
612 1 26 LYS QG 1 27 GLU HA . . 4.360 4.082 3.821 4.232 . 0 0 "[ . 1 . 2]" 1
613 1 26 LYS QG 1 27 GLU QG . . 5.180 4.897 4.635 5.173 . 0 0 "[ . 1 . 2]" 1
614 1 26 LYS QG 1 29 THR H . . 4.940 4.731 4.468 4.939 . 0 0 "[ . 1 . 2]" 1
615 1 26 LYS QG 1 29 THR HB . . 4.860 3.705 3.426 3.989 . 0 0 "[ . 1 . 2]" 1
616 1 26 LYS HG2 1 30 LEU MD1 . . 3.740 3.067 2.516 3.539 . 0 0 "[ . 1 . 2]" 1
617 1 26 LYS HG2 1 30 LEU MD2 . . 4.910 3.905 3.556 4.418 . 0 0 "[ . 1 . 2]" 1
618 1 26 LYS HG3 1 30 LEU MD1 . . 3.740 2.714 1.979 3.094 . 0 0 "[ . 1 . 2]" 1
619 1 26 LYS HG3 1 30 LEU MD2 . . 4.910 3.131 2.803 3.429 . 0 0 "[ . 1 . 2]" 1
620 1 27 GLU H 1 27 GLU HB2 . . 3.090 2.130 2.070 2.307 . 0 0 "[ . 1 . 2]" 1
621 1 27 GLU H 1 27 GLU HB3 . . 3.710 3.430 3.326 3.557 . 0 0 "[ . 1 . 2]" 1
622 1 27 GLU H 1 27 GLU HG2 . . 4.000 3.296 3.041 4.023 0.023 17 0 "[ . 1 . 2]" 1
623 1 27 GLU H 1 27 GLU HG3 . . 4.000 3.784 3.524 3.957 . 0 0 "[ . 1 . 2]" 1
624 1 27 GLU H 1 28 ARG H . . 3.410 2.828 2.692 2.911 . 0 0 "[ . 1 . 2]" 1
625 1 27 GLU HA 1 27 GLU HG2 . . 3.910 2.302 2.184 3.542 . 0 0 "[ . 1 . 2]" 1
626 1 27 GLU HA 1 27 GLU QG . . 3.330 2.214 2.164 2.277 . 0 0 "[ . 1 . 2]" 1
627 1 27 GLU HA 1 27 GLU HG3 . . 3.910 3.469 2.245 3.569 . 0 0 "[ . 1 . 2]" 1
628 1 27 GLU HA 1 30 LEU H . . 3.540 3.394 3.274 3.517 . 0 0 "[ . 1 . 2]" 1
629 1 27 GLU HA 1 30 LEU HB2 . . 3.830 2.501 2.248 2.665 . 0 0 "[ . 1 . 2]" 1
630 1 27 GLU HA 1 30 LEU HB3 . . 4.430 4.029 3.811 4.182 . 0 0 "[ . 1 . 2]" 1
631 1 27 GLU HA 1 30 LEU MD1 . . 3.650 2.001 1.956 2.067 . 0 0 "[ . 1 . 2]" 1
632 1 27 GLU HA 1 30 LEU HG . . 3.340 3.167 3.005 3.270 . 0 0 "[ . 1 . 2]" 1
633 1 27 GLU HB2 1 28 ARG H . . 3.640 2.949 2.755 3.135 . 0 0 "[ . 1 . 2]" 1
634 1 27 GLU HB2 1 31 LEU MD1 . . 5.500 5.420 5.337 5.501 0.001 7 0 "[ . 1 . 2]" 1
635 1 27 GLU HB3 1 28 ARG H . . 3.850 3.063 2.952 3.350 . 0 0 "[ . 1 . 2]" 1
636 1 27 GLU HB3 1 30 LEU MD1 . . 4.410 4.352 4.103 4.421 0.011 16 0 "[ . 1 . 2]" 1
637 1 27 GLU HB3 1 31 LEU MD2 . . 4.530 3.693 3.400 3.926 . 0 0 "[ . 1 . 2]" 1
638 1 27 GLU QG 1 28 ARG H . . 4.750 4.436 4.346 4.511 . 0 0 "[ . 1 . 2]" 1
639 1 27 GLU QG 1 30 LEU MD1 . . 3.860 2.814 2.714 2.909 . 0 0 "[ . 1 . 2]" 1
640 1 27 GLU QG 1 30 LEU HG . . 5.340 4.885 4.755 4.990 . 0 0 "[ . 1 . 2]" 1
641 1 27 GLU HG2 1 28 ARG H . . 5.500 4.898 4.805 5.148 . 0 0 "[ . 1 . 2]" 1
642 1 27 GLU HG2 1 30 LEU MD1 . . 4.630 2.925 2.744 4.394 . 0 0 "[ . 1 . 2]" 1
643 1 27 GLU HG3 1 28 ARG H . . 5.500 5.075 4.960 5.193 . 0 0 "[ . 1 . 2]" 1
644 1 27 GLU HG3 1 30 LEU MD1 . . 4.630 4.284 2.881 4.479 . 0 0 "[ . 1 . 2]" 1
645 1 28 ARG H 1 28 ARG HB2 . . 3.140 2.459 2.358 2.551 . 0 0 "[ . 1 . 2]" 1
646 1 28 ARG H 1 28 ARG HD2 . . 5.060 4.617 4.034 4.862 . 0 0 "[ . 1 . 2]" 1
647 1 28 ARG H 1 28 ARG HD3 . . 5.060 4.447 4.096 4.872 . 0 0 "[ . 1 . 2]" 1
648 1 28 ARG H 1 28 ARG HG2 . . 3.820 3.403 3.274 3.661 . 0 0 "[ . 1 . 2]" 1
649 1 28 ARG H 1 28 ARG HG3 . . 3.520 2.282 2.088 2.488 . 0 0 "[ . 1 . 2]" 1
650 1 28 ARG H 1 29 THR H . . 3.520 2.914 2.838 2.982 . 0 0 "[ . 1 . 2]" 1
651 1 28 ARG H 1 29 THR HB . . 4.950 4.902 4.831 4.953 0.003 9 0 "[ . 1 . 2]" 1
652 1 28 ARG H 1 30 LEU H . . 4.950 3.944 3.856 4.074 . 0 0 "[ . 1 . 2]" 1
653 1 28 ARG H 1 31 LEU H . . 5.500 4.754 4.710 4.801 . 0 0 "[ . 1 . 2]" 1
654 1 28 ARG H 1 31 LEU MD1 . . 5.500 4.221 4.110 4.554 . 0 0 "[ . 1 . 2]" 1
655 1 28 ARG HA 1 28 ARG HD2 . . 5.070 4.564 4.280 4.726 . 0 0 "[ . 1 . 2]" 1
656 1 28 ARG HA 1 28 ARG QD . . 4.390 4.093 3.967 4.191 . 0 0 "[ . 1 . 2]" 1
657 1 28 ARG HA 1 28 ARG HD3 . . 5.070 4.639 4.405 4.805 . 0 0 "[ . 1 . 2]" 1
658 1 28 ARG HA 1 28 ARG HG2 . . 3.480 2.469 2.361 2.612 . 0 0 "[ . 1 . 2]" 1
659 1 28 ARG HA 1 28 ARG HG3 . . 3.340 3.056 2.832 3.109 . 0 0 "[ . 1 . 2]" 1
660 1 28 ARG HA 1 30 LEU H . . 4.500 4.074 3.823 4.284 . 0 0 "[ . 1 . 2]" 1
661 1 28 ARG HA 1 31 LEU H . . 3.810 3.406 3.237 3.481 . 0 0 "[ . 1 . 2]" 1
662 1 28 ARG HA 1 31 LEU HB2 . . 3.810 3.512 3.316 3.706 . 0 0 "[ . 1 . 2]" 1
663 1 28 ARG HA 1 31 LEU HB3 . . 4.800 4.579 4.454 4.723 . 0 0 "[ . 1 . 2]" 1
664 1 28 ARG HA 1 31 LEU MD1 . . 3.410 2.022 1.907 2.344 . 0 0 "[ . 1 . 2]" 1
665 1 28 ARG HA 1 31 LEU MD2 . . 3.670 3.569 3.413 3.679 0.009 11 0 "[ . 1 . 2]" 1
666 1 28 ARG HA 1 31 LEU HG . . 3.130 2.179 2.015 2.343 . 0 0 "[ . 1 . 2]" 1
667 1 28 ARG HA 1 32 LYS H . . 5.470 5.399 5.232 5.471 0.001 5 0 "[ . 1 . 2]" 1
668 1 28 ARG HB2 1 28 ARG HD2 . . 3.940 3.238 2.331 3.790 . 0 0 "[ . 1 . 2]" 1
669 1 28 ARG HB2 1 28 ARG HD3 . . 3.940 3.072 2.557 3.761 . 0 0 "[ . 1 . 2]" 1
670 1 28 ARG HB2 1 28 ARG HG3 . . 2.760 2.416 2.361 2.520 . 0 0 "[ . 1 . 2]" 1
671 1 28 ARG HB2 1 29 THR H . . 3.510 2.367 2.152 2.542 . 0 0 "[ . 1 . 2]" 1
672 1 28 ARG HB2 1 29 THR HA . . 4.800 4.359 4.207 4.481 . 0 0 "[ . 1 . 2]" 1
673 1 28 ARG HB2 1 29 THR HB . . 4.640 4.546 4.403 4.639 . 0 0 "[ . 1 . 2]" 1
674 1 28 ARG HB2 1 31 LEU MD1 . . 5.210 4.314 4.179 4.555 . 0 0 "[ . 1 . 2]" 1
675 1 28 ARG HB3 1 28 ARG HD2 . . 3.920 3.120 2.378 3.661 . 0 0 "[ . 1 . 2]" 1
676 1 28 ARG HB3 1 28 ARG HD3 . . 3.920 3.144 2.702 3.722 . 0 0 "[ . 1 . 2]" 1
677 1 28 ARG HB3 1 29 THR H . . 3.610 3.290 3.060 3.412 . 0 0 "[ . 1 . 2]" 1
678 1 28 ARG HB3 1 29 THR HA . . 4.550 4.218 4.060 4.314 . 0 0 "[ . 1 . 2]" 1
679 1 28 ARG HB3 1 29 THR HB . . 5.500 5.474 5.320 5.506 0.006 11 0 "[ . 1 . 2]" 1
680 1 28 ARG HB3 1 31 LEU MD1 . . 4.240 3.305 3.069 3.578 . 0 0 "[ . 1 . 2]" 1
681 1 28 ARG QD 1 31 LEU MD1 . . 4.630 4.307 4.059 4.472 . 0 0 "[ . 1 . 2]" 1
682 1 28 ARG HD2 1 31 LEU MD1 . . 5.500 4.776 4.344 5.193 . 0 0 "[ . 1 . 2]" 1
683 1 28 ARG HD3 1 31 LEU MD1 . . 5.500 4.968 4.504 5.311 . 0 0 "[ . 1 . 2]" 1
684 1 28 ARG HG2 1 31 LEU MD1 . . 3.470 2.853 2.610 3.104 . 0 0 "[ . 1 . 2]" 1
685 1 28 ARG HG3 1 29 THR H . . 4.640 4.321 4.128 4.458 . 0 0 "[ . 1 . 2]" 1
686 1 29 THR H 1 29 THR HB . . 3.230 2.353 2.319 2.393 . 0 0 "[ . 1 . 2]" 1
687 1 29 THR H 1 29 THR MG . . 3.860 3.720 3.702 3.738 . 0 0 "[ . 1 . 2]" 1
688 1 29 THR H 1 30 LEU H . . 3.420 2.662 2.540 2.777 . 0 0 "[ . 1 . 2]" 1
689 1 29 THR H 1 30 LEU MD1 . . 5.500 5.149 4.961 5.285 . 0 0 "[ . 1 . 2]" 1
690 1 29 THR H 1 30 LEU MD2 . . 5.370 5.346 5.267 5.375 0.005 18 0 "[ . 1 . 2]" 1
691 1 29 THR H 1 30 LEU HG . . 4.700 4.301 4.148 4.394 . 0 0 "[ . 1 . 2]" 1
692 1 29 THR H 1 31 LEU HG . . 5.240 4.756 4.609 4.853 . 0 0 "[ . 1 . 2]" 1
693 1 29 THR HA 1 29 THR MG . . 3.180 2.509 2.490 2.534 . 0 0 "[ . 1 . 2]" 1
694 1 29 THR HA 1 31 LEU H . . 4.830 4.131 4.019 4.284 . 0 0 "[ . 1 . 2]" 1
695 1 29 THR HA 1 31 LEU HB2 . . 5.420 4.669 4.511 4.911 . 0 0 "[ . 1 . 2]" 1
696 1 29 THR HA 1 32 LYS H . . 4.840 4.031 3.839 4.180 . 0 0 "[ . 1 . 2]" 1
697 1 29 THR HA 1 32 LYS QB . . 5.290 4.604 4.355 4.789 . 0 0 "[ . 1 . 2]" 1
698 1 29 THR HA 1 32 LYS QD . . 5.500 4.720 4.453 4.982 . 0 0 "[ . 1 . 2]" 1
699 1 29 THR HA 1 32 LYS QE . . 4.010 3.847 3.507 4.011 0.001 10 0 "[ . 1 . 2]" 1
700 1 29 THR HA 1 32 LYS HG2 . . 4.470 4.272 3.867 4.465 . 0 0 "[ . 1 . 2]" 1
701 1 29 THR HB 1 30 LEU H . . 3.650 3.041 2.823 3.277 . 0 0 "[ . 1 . 2]" 1
702 1 29 THR HB 1 30 LEU MD1 . . 5.500 4.925 4.851 5.037 . 0 0 "[ . 1 . 2]" 1
703 1 29 THR HB 1 30 LEU MD2 . . 5.500 4.250 4.093 4.410 . 0 0 "[ . 1 . 2]" 1
704 1 29 THR HB 1 30 LEU HG . . 4.420 3.613 3.556 3.706 . 0 0 "[ . 1 . 2]" 1
705 1 29 THR MG 1 30 LEU H . . 4.090 3.432 3.245 3.628 . 0 0 "[ . 1 . 2]" 1
706 1 29 THR MG 1 30 LEU HA . . 4.510 3.319 3.207 3.442 . 0 0 "[ . 1 . 2]" 1
707 1 29 THR MG 1 30 LEU MD2 . . 4.060 3.241 3.130 3.410 . 0 0 "[ . 1 . 2]" 1
708 1 29 THR MG 1 30 LEU HG . . 3.790 3.628 3.543 3.727 . 0 0 "[ . 1 . 2]" 1
709 1 29 THR MG 1 32 LYS QE . . 5.500 4.691 3.742 5.049 . 0 0 "[ . 1 . 2]" 1
710 1 29 THR MG 1 33 GLU HG2 . . 5.230 4.809 4.311 5.082 . 0 0 "[ . 1 . 2]" 1
711 1 30 LEU H 1 30 LEU HB2 . . 3.350 2.449 2.396 2.531 . 0 0 "[ . 1 . 2]" 1
712 1 30 LEU H 1 30 LEU HB3 . . 3.890 3.600 3.588 3.620 . 0 0 "[ . 1 . 2]" 1
713 1 30 LEU H 1 30 LEU MD1 . . 4.040 3.588 3.495 3.666 . 0 0 "[ . 1 . 2]" 1
714 1 30 LEU H 1 30 LEU MD2 . . 4.320 3.574 3.369 3.740 . 0 0 "[ . 1 . 2]" 1
715 1 30 LEU H 1 30 LEU HG . . 2.860 2.415 2.163 2.608 . 0 0 "[ . 1 . 2]" 1
716 1 30 LEU H 1 32 LYS H . . 4.680 4.369 4.172 4.560 . 0 0 "[ . 1 . 2]" 1
717 1 30 LEU HA 1 30 LEU MD1 . . 4.070 3.899 3.875 3.915 . 0 0 "[ . 1 . 2]" 1
718 1 30 LEU HA 1 30 LEU MD2 . . 2.940 1.998 1.971 2.073 . 0 0 "[ . 1 . 2]" 1
719 1 30 LEU HA 1 30 LEU HG . . 3.710 3.042 2.972 3.103 . 0 0 "[ . 1 . 2]" 1
720 1 30 LEU HA 1 32 LYS H . . 4.320 3.952 3.799 4.181 . 0 0 "[ . 1 . 2]" 1
721 1 30 LEU HA 1 33 GLU H . . 4.030 3.172 3.103 3.247 . 0 0 "[ . 1 . 2]" 1
722 1 30 LEU HA 1 33 GLU HB2 . . 4.010 3.310 2.955 3.581 . 0 0 "[ . 1 . 2]" 1
723 1 30 LEU HA 1 33 GLU HG2 . . 4.120 3.930 3.774 4.067 . 0 0 "[ . 1 . 2]" 1
724 1 30 LEU HA 1 33 GLU HG3 . . 3.850 2.189 2.052 2.318 . 0 0 "[ . 1 . 2]" 1
725 1 30 LEU HB2 1 30 LEU MD1 . . 3.140 2.205 2.122 2.336 . 0 0 "[ . 1 . 2]" 1
726 1 30 LEU HB2 1 30 LEU MD2 . . 3.190 3.183 3.175 3.190 . 0 0 "[ . 1 . 2]" 1
727 1 30 LEU HB2 1 30 LEU HG . . 2.580 2.504 2.478 2.526 . 0 0 "[ . 1 . 2]" 1
728 1 30 LEU HB2 1 31 LEU H . . 4.030 2.894 2.762 3.041 . 0 0 "[ . 1 . 2]" 1
729 1 30 LEU HB2 1 33 GLU H . . 5.500 5.256 5.174 5.330 . 0 0 "[ . 1 . 2]" 1
730 1 30 LEU HB2 1 33 GLU HG3 . . 5.330 5.016 4.850 5.169 . 0 0 "[ . 1 . 2]" 1
731 1 30 LEU HB3 1 30 LEU MD1 . . 3.350 2.468 2.357 2.517 . 0 0 "[ . 1 . 2]" 1
732 1 30 LEU HB3 1 31 LEU H . . 4.300 3.872 3.769 3.973 . 0 0 "[ . 1 . 2]" 1
733 1 30 LEU HB3 1 33 GLU HB3 . . 5.230 5.148 5.000 5.230 0.000 5 0 "[ . 1 . 2]" 1
734 1 30 LEU MD1 1 31 LEU H . . 5.090 4.650 4.537 4.801 . 0 0 "[ . 1 . 2]" 1
735 1 30 LEU MD2 1 31 LEU H . . 5.500 4.744 4.712 4.784 . 0 0 "[ . 1 . 2]" 1
736 1 30 LEU MD2 1 33 GLU H . . 5.500 4.533 4.404 4.670 . 0 0 "[ . 1 . 2]" 1
737 1 30 LEU MD2 1 33 GLU HG2 . . 4.650 4.270 4.060 4.524 . 0 0 "[ . 1 . 2]" 1
738 1 30 LEU MD2 1 33 GLU HG3 . . 4.870 2.980 2.705 3.184 . 0 0 "[ . 1 . 2]" 1
739 1 31 LEU H 1 31 LEU HB2 . . 2.880 2.547 2.479 2.621 . 0 0 "[ . 1 . 2]" 1
740 1 31 LEU H 1 31 LEU HB3 . . 3.740 3.591 3.585 3.597 . 0 0 "[ . 1 . 2]" 1
741 1 31 LEU H 1 31 LEU MD1 . . 3.720 3.546 3.484 3.671 . 0 0 "[ . 1 . 2]" 1
742 1 31 LEU H 1 31 LEU MD2 . . 3.760 3.273 3.072 3.429 . 0 0 "[ . 1 . 2]" 1
743 1 31 LEU H 1 31 LEU HG . . 2.890 2.158 2.058 2.256 . 0 0 "[ . 1 . 2]" 1
744 1 31 LEU H 1 32 LYS H . . 3.320 2.863 2.772 2.976 . 0 0 "[ . 1 . 2]" 1
745 1 31 LEU H 1 32 LYS HG2 . . 4.980 4.672 4.401 4.875 . 0 0 "[ . 1 . 2]" 1
746 1 31 LEU H 1 32 LYS HG3 . . 4.860 4.672 4.457 4.851 . 0 0 "[ . 1 . 2]" 1
747 1 31 LEU H 1 40 LEU MD1 . . 4.750 4.528 4.326 4.700 . 0 0 "[ . 1 . 2]" 1
748 1 31 LEU HA 1 31 LEU MD1 . . 4.090 3.882 3.840 3.902 . 0 0 "[ . 1 . 2]" 1
749 1 31 LEU HA 1 31 LEU MD2 . . 3.060 2.096 1.985 2.240 . 0 0 "[ . 1 . 2]" 1
750 1 31 LEU HA 1 31 LEU HG . . 3.430 3.056 2.980 3.141 . 0 0 "[ . 1 . 2]" 1
751 1 31 LEU HA 1 34 ASP H . . 4.210 3.524 3.343 3.736 . 0 0 "[ . 1 . 2]" 1
752 1 31 LEU HA 1 34 ASP HB2 . . 4.040 2.877 2.621 3.057 . 0 0 "[ . 1 . 2]" 1
753 1 31 LEU HA 1 34 ASP HB3 . . 4.180 3.745 3.585 3.874 . 0 0 "[ . 1 . 2]" 1
754 1 31 LEU HA 1 37 TYR HB2 . . 5.250 4.006 3.699 4.195 . 0 0 "[ . 1 . 2]" 1
755 1 31 LEU HA 1 37 TYR QD . . 4.130 2.716 2.366 2.965 . 0 0 "[ . 1 . 2]" 1
756 1 31 LEU HA 1 37 TYR QE . . 5.090 3.511 3.212 3.832 . 0 0 "[ . 1 . 2]" 1
757 1 31 LEU HB2 1 31 LEU MD1 . . 2.800 2.251 2.191 2.369 . 0 0 "[ . 1 . 2]" 1
758 1 31 LEU HB2 1 31 LEU MD2 . . 3.270 3.184 3.173 3.193 . 0 0 "[ . 1 . 2]" 1
759 1 31 LEU HB2 1 32 LYS H . . 3.320 2.627 2.432 2.754 . 0 0 "[ . 1 . 2]" 1
760 1 31 LEU HB2 1 33 GLU H . . 5.500 4.982 4.872 5.108 . 0 0 "[ . 1 . 2]" 1
761 1 31 LEU HB2 1 37 TYR HB3 . . 5.500 4.557 4.214 4.740 . 0 0 "[ . 1 . 2]" 1
762 1 31 LEU HB2 1 37 TYR QD . . 4.570 4.358 4.172 4.570 . 14 0 "[ . 1 . 2]" 1
763 1 31 LEU HB2 1 40 LEU MD1 . . 3.430 2.629 2.383 2.853 . 0 0 "[ . 1 . 2]" 1
764 1 31 LEU HB3 1 31 LEU MD1 . . 3.010 2.446 2.332 2.499 . 0 0 "[ . 1 . 2]" 1
765 1 31 LEU HB3 1 31 LEU MD2 . . 3.310 2.305 2.223 2.377 . 0 0 "[ . 1 . 2]" 1
766 1 31 LEU HB3 1 32 LYS H . . 4.070 3.638 3.518 3.770 . 0 0 "[ . 1 . 2]" 1
767 1 31 LEU HB3 1 32 LYS HA . . 5.500 4.387 4.331 4.476 . 0 0 "[ . 1 . 2]" 1
768 1 31 LEU HB3 1 34 ASP HB2 . . 5.500 4.788 4.528 4.973 . 0 0 "[ . 1 . 2]" 1
769 1 31 LEU HB3 1 37 TYR HB2 . . 5.020 3.151 2.767 3.354 . 0 0 "[ . 1 . 2]" 1
770 1 31 LEU HB3 1 37 TYR HB3 . . 4.840 3.356 2.996 3.539 . 0 0 "[ . 1 . 2]" 1
771 1 31 LEU HB3 1 37 TYR QD . . 4.040 2.924 2.726 3.202 . 0 0 "[ . 1 . 2]" 1
772 1 31 LEU HB3 1 37 TYR QE . . 5.120 3.911 3.654 4.118 . 0 0 "[ . 1 . 2]" 1
773 1 31 LEU HB3 1 40 LEU MD1 . . 3.690 2.442 2.170 2.791 . 0 0 "[ . 1 . 2]" 1
774 1 31 LEU HB3 1 40 LEU MD2 . . 4.390 4.119 3.821 4.329 . 0 0 "[ . 1 . 2]" 1
775 1 31 LEU MD1 1 32 LYS H . . 5.040 4.471 4.280 4.664 . 0 0 "[ . 1 . 2]" 1
776 1 31 LEU MD1 1 37 TYR HB2 . . 5.430 4.904 4.646 5.047 . 0 0 "[ . 1 . 2]" 1
777 1 31 LEU MD1 1 37 TYR HB3 . . 4.730 4.525 4.235 4.707 . 0 0 "[ . 1 . 2]" 1
778 1 31 LEU MD1 1 37 TYR QD . . 4.250 4.119 3.933 4.235 . 0 0 "[ . 1 . 2]" 1
779 1 31 LEU MD1 1 37 TYR QE . . 4.250 4.071 3.878 4.247 . 0 0 "[ . 1 . 2]" 1
780 1 31 LEU MD2 1 32 LYS H . . 4.910 4.693 4.641 4.737 . 0 0 "[ . 1 . 2]" 1
781 1 31 LEU MD2 1 34 ASP H . . 5.270 5.048 4.862 5.220 . 0 0 "[ . 1 . 2]" 1
782 1 31 LEU MD2 1 34 ASP HB2 . . 4.810 3.977 3.668 4.125 . 0 0 "[ . 1 . 2]" 1
783 1 31 LEU MD2 1 34 ASP HB3 . . 5.040 4.336 4.054 4.521 . 0 0 "[ . 1 . 2]" 1
784 1 31 LEU MD2 1 37 TYR HB3 . . 5.350 4.593 4.317 4.776 . 0 0 "[ . 1 . 2]" 1
785 1 31 LEU MD2 1 37 TYR QD . . 3.820 2.863 2.494 3.241 . 0 0 "[ . 1 . 2]" 1
786 1 31 LEU MD2 1 37 TYR QE . . 3.710 2.288 2.053 2.507 . 0 0 "[ . 1 . 2]" 1
787 1 31 LEU HG 1 32 LYS H . . 5.320 4.370 4.254 4.446 . 0 0 "[ . 1 . 2]" 1
788 1 31 LEU HG 1 37 TYR QD . . 5.500 5.024 4.713 5.210 . 0 0 "[ . 1 . 2]" 1
789 1 32 LYS H 1 32 LYS QB . . 2.990 2.639 2.585 2.702 . 0 0 "[ . 1 . 2]" 1
790 1 32 LYS H 1 32 LYS QD . . 4.340 4.013 3.837 4.093 . 0 0 "[ . 1 . 2]" 1
791 1 32 LYS H 1 32 LYS HG2 . . 3.580 2.245 2.014 2.411 . 0 0 "[ . 1 . 2]" 1
792 1 32 LYS H 1 32 LYS HG3 . . 3.850 2.495 2.371 2.629 . 0 0 "[ . 1 . 2]" 1
793 1 32 LYS H 1 33 GLU H . . 3.470 2.660 2.607 2.753 . 0 0 "[ . 1 . 2]" 1
794 1 32 LYS H 1 33 GLU HA . . 5.440 5.268 5.223 5.348 . 0 0 "[ . 1 . 2]" 1
795 1 32 LYS H 1 33 GLU HB2 . . 5.340 4.991 4.884 5.161 . 0 0 "[ . 1 . 2]" 1
796 1 32 LYS H 1 33 GLU HG2 . . 5.440 5.183 5.001 5.367 . 0 0 "[ . 1 . 2]" 1
797 1 32 LYS H 1 33 GLU HG3 . . 4.660 4.230 4.057 4.450 . 0 0 "[ . 1 . 2]" 1
798 1 32 LYS H 1 34 ASP H . . 4.140 3.977 3.948 4.010 . 0 0 "[ . 1 . 2]" 1
799 1 32 LYS H 1 40 LEU MD1 . . 4.380 3.025 2.816 3.189 . 0 0 "[ . 1 . 2]" 1
800 1 32 LYS HA 1 32 LYS QD . . 3.810 3.366 3.190 3.511 . 0 0 "[ . 1 . 2]" 1
801 1 32 LYS HA 1 32 LYS HG2 . . 3.680 2.615 2.545 2.720 . 0 0 "[ . 1 . 2]" 1
802 1 32 LYS HA 1 32 LYS HG3 . . 3.810 3.734 3.675 3.823 0.013 1 0 "[ . 1 . 2]" 1
803 1 32 LYS HA 1 33 GLU HA . . 5.470 4.771 4.754 4.803 . 0 0 "[ . 1 . 2]" 1
804 1 32 LYS HA 1 34 ASP H . . 4.040 3.692 3.495 3.819 . 0 0 "[ . 1 . 2]" 1
805 1 32 LYS HA 1 37 TYR H . . 5.500 5.268 5.097 5.359 . 0 0 "[ . 1 . 2]" 1
806 1 32 LYS HA 1 37 TYR HB2 . . 4.630 3.311 3.051 3.515 . 0 0 "[ . 1 . 2]" 1
807 1 32 LYS HA 1 37 TYR HB3 . . 4.740 4.127 4.008 4.362 . 0 0 "[ . 1 . 2]" 1
808 1 32 LYS HA 1 40 LEU QB . . 3.900 3.179 2.831 3.344 . 0 0 "[ . 1 . 2]" 1
809 1 32 LYS HA 1 40 LEU MD1 . . 3.650 1.991 1.858 2.092 . 0 0 "[ . 1 . 2]" 1
810 1 32 LYS QB 1 32 LYS QE . . 4.450 3.427 2.493 3.603 . 0 0 "[ . 1 . 2]" 1
811 1 32 LYS QB 1 33 GLU H . . 3.500 2.675 2.618 2.761 . 0 0 "[ . 1 . 2]" 1
812 1 32 LYS QB 1 33 GLU HA . . 4.110 3.861 3.834 3.890 . 0 0 "[ . 1 . 2]" 1
813 1 32 LYS QB 1 33 GLU HG2 . . 3.750 3.657 3.514 3.739 . 0 0 "[ . 1 . 2]" 1
814 1 32 LYS QB 1 33 GLU HG3 . . 3.850 3.650 3.516 3.769 . 0 0 "[ . 1 . 2]" 1
815 1 32 LYS QB 1 40 LEU MD1 . . 4.660 3.191 2.737 3.462 . 0 0 "[ . 1 . 2]" 1
816 1 32 LYS QD 1 32 LYS HG2 . . 2.720 2.333 2.155 2.383 . 0 0 "[ . 1 . 2]" 1
817 1 32 LYS QD 1 33 GLU H . . 5.500 5.162 5.072 5.310 . 0 0 "[ . 1 . 2]" 1
818 1 32 LYS QD 1 40 LEU MD1 . . 4.960 2.861 2.113 3.267 . 0 0 "[ . 1 . 2]" 1
819 1 32 LYS QD 1 41 SER HA . . 5.500 4.234 3.519 4.582 . 0 0 "[ . 1 . 2]" 1
820 1 32 LYS QE 1 32 LYS HG2 . . 3.660 2.464 2.269 3.283 . 0 0 "[ . 1 . 2]" 1
821 1 32 LYS QE 1 32 LYS HG3 . . 3.680 2.380 2.042 2.500 . 0 0 "[ . 1 . 2]" 1
822 1 32 LYS QE 1 40 LEU MD1 . . 4.790 3.094 2.764 4.238 . 0 0 "[ . 1 . 2]" 1
823 1 32 LYS QE 1 40 LEU MD2 . . 5.140 3.620 3.248 5.088 . 0 0 "[ . 1 . 2]" 1
824 1 32 LYS QE 1 41 SER H . . 5.500 5.350 4.932 5.503 0.003 5 0 "[ . 1 . 2]" 1
825 1 32 LYS QE 1 41 SER HA . . 5.070 4.861 4.360 5.077 0.007 8 0 "[ . 1 . 2]" 1
826 1 32 LYS HG2 1 33 GLU H . . 5.400 4.393 4.229 4.484 . 0 0 "[ . 1 . 2]" 1
827 1 32 LYS HG2 1 40 LEU MD1 . . 4.510 1.948 1.891 2.010 . 0 0 "[ . 1 . 2]" 1
828 1 32 LYS HG3 1 33 GLU H . . 5.500 4.170 4.051 4.247 . 0 0 "[ . 1 . 2]" 1
829 1 32 LYS HG3 1 33 GLU HG3 . . 5.150 5.055 4.804 5.147 . 0 0 "[ . 1 . 2]" 1
830 1 32 LYS HG3 1 40 LEU MD1 . . 4.300 3.453 3.326 3.553 . 0 0 "[ . 1 . 2]" 1
831 1 33 GLU H 1 33 GLU HB2 . . 3.270 2.585 2.522 2.679 . 0 0 "[ . 1 . 2]" 1
832 1 33 GLU H 1 33 GLU HB3 . . 3.770 3.596 3.588 3.600 . 0 0 "[ . 1 . 2]" 1
833 1 33 GLU H 1 33 GLU HG2 . . 3.470 2.933 2.788 3.033 . 0 0 "[ . 1 . 2]" 1
834 1 33 GLU H 1 33 GLU HG3 . . 3.260 2.254 2.070 2.371 . 0 0 "[ . 1 . 2]" 1
835 1 33 GLU H 1 34 ASP H . . 3.120 2.576 2.527 2.635 . 0 0 "[ . 1 . 2]" 1
836 1 33 GLU H 1 34 ASP HA . . 5.500 5.165 5.130 5.225 . 0 0 "[ . 1 . 2]" 1
837 1 33 GLU H 1 34 ASP HB2 . . 4.790 4.413 4.335 4.532 . 0 0 "[ . 1 . 2]" 1
838 1 33 GLU H 1 34 ASP HB3 . . 5.500 5.452 5.380 5.501 0.001 14 0 "[ . 1 . 2]" 1
839 1 33 GLU HA 1 33 GLU HB3 . . 2.820 2.426 2.382 2.460 . 0 0 "[ . 1 . 2]" 1
840 1 33 GLU HA 1 33 GLU HG2 . . 3.060 2.494 2.419 2.601 . 0 0 "[ . 1 . 2]" 1
841 1 33 GLU HA 1 33 GLU HG3 . . 3.610 3.422 3.368 3.506 . 0 0 "[ . 1 . 2]" 1
842 1 33 GLU HA 1 34 ASP HB2 . . 5.500 5.463 5.387 5.493 . 0 0 "[ . 1 . 2]" 1
843 1 33 GLU HB2 1 34 ASP H . . 4.660 3.216 3.100 3.394 . 0 0 "[ . 1 . 2]" 1
844 1 33 GLU HB3 1 34 ASP H . . 4.760 4.163 4.044 4.259 . 0 0 "[ . 1 . 2]" 1
845 1 33 GLU HG2 1 34 ASP H . . 5.030 4.868 4.785 4.951 . 0 0 "[ . 1 . 2]" 1
846 1 33 GLU HG3 1 34 ASP H . . 4.950 4.440 4.243 4.574 . 0 0 "[ . 1 . 2]" 1
847 1 34 ASP H 1 34 ASP HB2 . . 3.560 2.299 2.222 2.395 . 0 0 "[ . 1 . 2]" 1
848 1 34 ASP H 1 34 ASP HB3 . . 3.580 3.009 2.920 3.078 . 0 0 "[ . 1 . 2]" 1
849 1 34 ASP H 1 35 PRO HD2 . . 5.360 4.833 4.828 4.840 . 0 0 "[ . 1 . 2]" 1
850 1 34 ASP H 1 36 ALA H . . 5.500 5.474 5.388 5.504 0.004 18 0 "[ . 1 . 2]" 1
851 1 34 ASP H 1 37 TYR HB2 . . 5.070 4.042 3.956 4.134 . 0 0 "[ . 1 . 2]" 1
852 1 34 ASP H 1 37 TYR QD . . 4.620 3.761 3.511 3.996 . 0 0 "[ . 1 . 2]" 1
853 1 34 ASP HA 1 35 PRO HB3 . . 4.970 4.829 4.827 4.832 . 0 0 "[ . 1 . 2]" 1
854 1 34 ASP HA 1 35 PRO HD2 . . 3.080 2.251 2.215 2.307 . 0 0 "[ . 1 . 2]" 1
855 1 34 ASP HA 1 35 PRO HD3 . . 3.060 2.257 2.252 2.269 . 0 0 "[ . 1 . 2]" 1
856 1 34 ASP HA 1 35 PRO QG . . 3.950 3.912 3.891 3.944 . 0 0 "[ . 1 . 2]" 1
857 1 34 ASP HA 1 36 ALA H . . 4.420 4.049 3.957 4.123 . 0 0 "[ . 1 . 2]" 1
858 1 34 ASP HB2 1 35 PRO HD2 . . 4.870 3.933 3.890 3.986 . 0 0 "[ . 1 . 2]" 1
859 1 34 ASP HB2 1 35 PRO HD3 . . 4.950 4.819 4.787 4.855 . 0 0 "[ . 1 . 2]" 1
860 1 34 ASP HB2 1 36 ALA H . . 5.000 4.629 4.538 4.688 . 0 0 "[ . 1 . 2]" 1
861 1 34 ASP HB2 1 36 ALA MB . . 5.260 4.667 4.579 4.724 . 0 0 "[ . 1 . 2]" 1
862 1 34 ASP HB2 1 37 TYR QD . . 4.040 2.798 2.669 2.983 . 0 0 "[ . 1 . 2]" 1
863 1 34 ASP HB2 1 37 TYR QE . . 4.960 3.826 3.389 4.206 . 0 0 "[ . 1 . 2]" 1
864 1 34 ASP HB3 1 35 PRO HD2 . . 5.230 3.315 3.119 3.444 . 0 0 "[ . 1 . 2]" 1
865 1 34 ASP HB3 1 35 PRO HD3 . . 5.050 4.453 4.316 4.545 . 0 0 "[ . 1 . 2]" 1
866 1 34 ASP HB3 1 36 ALA H . . 5.130 3.073 2.951 3.212 . 0 0 "[ . 1 . 2]" 1
867 1 34 ASP HB3 1 36 ALA MB . . 5.270 3.355 3.211 3.482 . 0 0 "[ . 1 . 2]" 1
868 1 34 ASP HB3 1 37 TYR H . . 4.020 2.766 2.578 2.886 . 0 0 "[ . 1 . 2]" 1
869 1 34 ASP HB3 1 37 TYR HB2 . . 4.780 3.447 3.257 3.782 . 0 0 "[ . 1 . 2]" 1
870 1 34 ASP HB3 1 37 TYR HB3 . . 5.350 5.032 4.860 5.289 . 0 0 "[ . 1 . 2]" 1
871 1 34 ASP HB3 1 37 TYR QD . . 3.630 2.097 2.000 2.305 . 0 0 "[ . 1 . 2]" 1
872 1 34 ASP HB3 1 37 TYR QE . . 4.560 3.521 3.099 3.872 . 0 0 "[ . 1 . 2]" 1
873 1 35 PRO HA 1 36 ALA MB . . 5.500 5.005 4.995 5.018 . 0 0 "[ . 1 . 2]" 1
874 1 35 PRO HA 1 37 TYR H . . 4.680 3.889 3.726 4.071 . 0 0 "[ . 1 . 2]" 1
875 1 35 PRO HA 1 38 TRP H . . 4.570 4.322 4.144 4.508 . 0 0 "[ . 1 . 2]" 1
876 1 35 PRO HA 1 38 TRP HB2 . . 5.100 4.679 4.567 4.929 . 0 0 "[ . 1 . 2]" 1
877 1 35 PRO HA 1 38 TRP HB3 . . 4.270 3.128 3.027 3.350 . 0 0 "[ . 1 . 2]" 1
878 1 35 PRO HA 1 38 TRP HD1 . . 4.960 4.257 4.179 4.379 . 0 0 "[ . 1 . 2]" 1
879 1 35 PRO HB2 1 36 ALA H . . 3.610 3.339 3.292 3.431 . 0 0 "[ . 1 . 2]" 1
880 1 35 PRO HB2 1 36 ALA HA . . 4.650 4.076 4.057 4.113 . 0 0 "[ . 1 . 2]" 1
881 1 35 PRO HB2 1 36 ALA MB . . 4.550 4.489 4.448 4.528 . 0 0 "[ . 1 . 2]" 1
882 1 35 PRO HB3 1 36 ALA H . . 4.610 4.144 4.117 4.197 . 0 0 "[ . 1 . 2]" 1
883 1 35 PRO HB3 1 36 ALA MB . . 5.500 5.498 5.483 5.515 0.015 14 0 "[ . 1 . 2]" 1
884 1 35 PRO HD2 1 36 ALA H . . 3.970 2.648 2.646 2.656 . 0 0 "[ . 1 . 2]" 1
885 1 35 PRO HD2 1 36 ALA MB . . 4.360 3.818 3.769 3.905 . 0 0 "[ . 1 . 2]" 1
886 1 35 PRO HD3 1 36 ALA H . . 3.900 3.838 3.836 3.843 . 0 0 "[ . 1 . 2]" 1
887 1 35 PRO HD3 1 36 ALA MB . . 5.390 5.174 5.150 5.221 . 0 0 "[ . 1 . 2]" 1
888 1 35 PRO HD3 1 37 TYR H . . 5.500 5.432 5.387 5.490 . 0 0 "[ . 1 . 2]" 1
889 1 35 PRO QG 1 36 ALA H . . 4.100 2.356 2.299 2.469 . 0 0 "[ . 1 . 2]" 1
890 1 35 PRO QG 1 36 ALA MB . . 4.960 3.363 3.333 3.415 . 0 0 "[ . 1 . 2]" 1
891 1 36 ALA H 1 36 ALA MB . . 3.090 2.089 2.031 2.190 . 0 0 "[ . 1 . 2]" 1
892 1 36 ALA H 1 37 TYR H . . 3.360 2.650 2.575 2.703 . 0 0 "[ . 1 . 2]" 1
893 1 36 ALA H 1 37 TYR HB2 . . 5.500 5.115 5.000 5.284 . 0 0 "[ . 1 . 2]" 1
894 1 36 ALA H 1 37 TYR QD . . 4.700 4.439 4.149 4.635 . 0 0 "[ . 1 . 2]" 1
895 1 36 ALA H 1 38 TRP H . . 4.930 4.886 4.774 4.930 0.000 5 0 "[ . 1 . 2]" 1
896 1 36 ALA H 1 38 TRP HD1 . . 5.500 5.184 5.143 5.225 . 0 0 "[ . 1 . 2]" 1
897 1 36 ALA HA 1 37 TYR QD . . 5.430 5.275 5.184 5.323 . 0 0 "[ . 1 . 2]" 1
898 1 36 ALA HA 1 38 TRP H . . 5.040 4.101 4.007 4.174 . 0 0 "[ . 1 . 2]" 1
899 1 36 ALA HA 1 38 TRP HD1 . . 3.810 3.746 3.579 3.811 0.001 14 0 "[ . 1 . 2]" 1
900 1 36 ALA HA 1 38 TRP HE1 . . 5.500 5.133 4.952 5.257 . 0 0 "[ . 1 . 2]" 1
901 1 36 ALA MB 1 37 TYR H . . 3.810 2.893 2.717 2.980 . 0 0 "[ . 1 . 2]" 1
902 1 36 ALA MB 1 37 TYR HA . . 4.900 4.003 3.971 4.055 . 0 0 "[ . 1 . 2]" 1
903 1 36 ALA MB 1 37 TYR HB3 . . 5.500 4.982 4.915 5.054 . 0 0 "[ . 1 . 2]" 1
904 1 36 ALA MB 1 37 TYR QD . . 3.970 3.387 3.215 3.512 . 0 0 "[ . 1 . 2]" 1
905 1 36 ALA MB 1 37 TYR QE . . 3.780 3.403 3.216 3.530 . 0 0 "[ . 1 . 2]" 1
906 1 36 ALA MB 1 38 TRP H . . 5.340 4.694 4.660 4.738 . 0 0 "[ . 1 . 2]" 1
907 1 36 ALA MB 1 38 TRP HD1 . . 5.140 5.098 4.953 5.142 0.002 14 0 "[ . 1 . 2]" 1
908 1 37 TYR H 1 37 TYR HB2 . . 3.180 2.677 2.620 2.775 . 0 0 "[ . 1 . 2]" 1
909 1 37 TYR H 1 37 TYR HB3 . . 3.920 3.758 3.736 3.783 . 0 0 "[ . 1 . 2]" 1
910 1 37 TYR H 1 37 TYR QD . . 3.800 3.035 2.748 3.247 . 0 0 "[ . 1 . 2]" 1
911 1 37 TYR H 1 37 TYR QE . . 5.110 4.682 4.481 4.828 . 0 0 "[ . 1 . 2]" 1
912 1 37 TYR H 1 38 TRP H . . 3.470 3.130 2.947 3.238 . 0 0 "[ . 1 . 2]" 1
913 1 37 TYR H 1 38 TRP HB3 . . 4.770 4.606 4.513 4.719 . 0 0 "[ . 1 . 2]" 1
914 1 37 TYR HA 1 37 TYR QD . . 3.160 2.623 2.455 2.846 . 0 0 "[ . 1 . 2]" 1
915 1 37 TYR HA 1 37 TYR QE . . 4.820 4.638 4.553 4.745 . 0 0 "[ . 1 . 2]" 1
916 1 37 TYR HA 1 39 PHE H . . 4.850 3.439 3.280 3.715 . 0 0 "[ . 1 . 2]" 1
917 1 37 TYR HA 1 39 PHE QD . . 4.460 3.448 3.173 3.806 . 0 0 "[ . 1 . 2]" 1
918 1 37 TYR HA 1 39 PHE HZ . . 4.870 3.587 3.196 3.951 . 0 0 "[ . 1 . 2]" 1
919 1 37 TYR HA 1 40 LEU H . . 5.460 3.806 3.745 3.861 . 0 0 "[ . 1 . 2]" 1
920 1 37 TYR HA 1 40 LEU MD1 . . 4.330 3.907 3.755 4.060 . 0 0 "[ . 1 . 2]" 1
921 1 37 TYR HB2 1 38 TRP H . . 4.940 4.331 4.282 4.358 . 0 0 "[ . 1 . 2]" 1
922 1 37 TYR HB2 1 40 LEU QB . . 5.110 4.194 3.975 4.444 . 0 0 "[ . 1 . 2]" 1
923 1 37 TYR HB2 1 40 LEU MD1 . . 3.870 2.243 1.978 2.500 . 0 0 "[ . 1 . 2]" 1
924 1 37 TYR HB2 1 40 LEU HG . . 4.270 3.444 3.169 3.892 . 0 0 "[ . 1 . 2]" 1
925 1 37 TYR HB3 1 38 TRP H . . 5.180 4.443 4.420 4.469 . 0 0 "[ . 1 . 2]" 1
926 1 37 TYR HB3 1 40 LEU H . . 4.790 3.800 3.697 3.894 . 0 0 "[ . 1 . 2]" 1
927 1 37 TYR HB3 1 40 LEU QB . . 5.340 3.711 3.538 3.924 . 0 0 "[ . 1 . 2]" 1
928 1 37 TYR HB3 1 40 LEU MD1 . . 3.710 1.943 1.886 1.984 . 0 0 "[ . 1 . 2]" 1
929 1 37 TYR HB3 1 40 LEU MD2 . . 5.000 3.216 2.831 3.740 . 0 0 "[ . 1 . 2]" 1
930 1 37 TYR HB3 1 40 LEU HG . . 4.010 2.090 1.998 2.408 . 0 0 "[ . 1 . 2]" 1
931 1 37 TYR QD 1 38 TRP H . . 4.940 4.907 4.840 4.959 0.019 14 0 "[ . 1 . 2]" 1
932 1 37 TYR QD 1 40 LEU MD1 . . 3.480 3.418 3.333 3.482 0.002 1 0 "[ . 1 . 2]" 1
933 1 37 TYR QE 1 39 PHE HZ . . 4.480 3.836 3.527 4.275 . 0 0 "[ . 1 . 2]" 1
934 1 38 TRP H 1 38 TRP HB2 . . 3.710 3.612 3.602 3.622 . 0 0 "[ . 1 . 2]" 1
935 1 38 TRP H 1 38 TRP HB3 . . 3.340 2.638 2.607 2.685 . 0 0 "[ . 1 . 2]" 1
936 1 38 TRP H 1 38 TRP HD1 . . 3.340 2.752 2.623 2.811 . 0 0 "[ . 1 . 2]" 1
937 1 38 TRP H 1 38 TRP HE1 . . 5.030 4.434 4.317 4.476 . 0 0 "[ . 1 . 2]" 1
938 1 38 TRP H 1 38 TRP HE3 . . 4.750 4.726 4.688 4.752 0.002 14 0 "[ . 1 . 2]" 1
939 1 38 TRP H 1 39 PHE H . . 4.070 2.444 2.384 2.502 . 0 0 "[ . 1 . 2]" 1
940 1 38 TRP H 1 39 PHE QD . . 4.960 3.578 3.230 3.909 . 0 0 "[ . 1 . 2]" 1
941 1 38 TRP HA 1 38 TRP HB3 . . 3.000 2.456 2.434 2.473 . 0 0 "[ . 1 . 2]" 1
942 1 38 TRP HA 1 38 TRP HD1 . . 4.740 4.580 4.507 4.608 . 0 0 "[ . 1 . 2]" 1
943 1 38 TRP HA 1 38 TRP HE3 . . 4.410 4.033 3.990 4.146 . 0 0 "[ . 1 . 2]" 1
944 1 38 TRP HA 1 40 LEU H . . 5.170 3.840 3.667 4.028 . 0 0 "[ . 1 . 2]" 1
945 1 38 TRP HA 1 41 SER H . . 5.040 3.995 3.821 4.185 . 0 0 "[ . 1 . 2]" 1
946 1 38 TRP HB2 1 38 TRP HE3 . . 3.570 2.747 2.690 2.782 . 0 0 "[ . 1 . 2]" 1
947 1 38 TRP HB2 1 38 TRP HZ3 . . 5.230 5.096 5.049 5.124 . 0 0 "[ . 1 . 2]" 1
948 1 38 TRP HB3 1 38 TRP HD1 . . 3.830 2.582 2.572 2.602 . 0 0 "[ . 1 . 2]" 1
949 1 38 TRP HB3 1 38 TRP HE1 . . 5.130 4.762 4.758 4.769 . 0 0 "[ . 1 . 2]" 1
950 1 38 TRP HD1 1 39 PHE H . . 5.090 4.141 3.945 4.283 . 0 0 "[ . 1 . 2]" 1
951 1 38 TRP HD1 1 39 PHE QD . . 5.140 4.682 4.262 4.930 . 0 0 "[ . 1 . 2]" 1
952 1 38 TRP HE1 1 39 PHE QD . . 4.680 4.221 3.860 4.515 . 0 0 "[ . 1 . 2]" 1
953 1 38 TRP HE3 1 39 PHE HA . . 3.530 2.297 2.216 2.415 . 0 0 "[ . 1 . 2]" 1
954 1 38 TRP HE3 1 39 PHE HB3 . . 5.450 3.947 3.828 4.080 . 0 0 "[ . 1 . 2]" 1
955 1 38 TRP HE3 1 42 ASP H . . 4.770 3.813 3.604 3.956 . 0 0 "[ . 1 . 2]" 1
956 1 38 TRP HE3 1 42 ASP HB2 . . 4.510 3.172 2.956 3.363 . 0 0 "[ . 1 . 2]" 1
957 1 38 TRP HE3 1 42 ASP HB3 . . 4.570 4.083 3.772 4.258 . 0 0 "[ . 1 . 2]" 1
958 1 38 TRP HH2 1 39 PHE HB2 . . 4.980 4.724 4.474 4.935 . 0 0 "[ . 1 . 2]" 1
959 1 38 TRP HH2 1 45 SER HB2 . . 4.250 3.331 3.013 3.673 . 0 0 "[ . 1 . 2]" 1
960 1 38 TRP HH2 1 45 SER HB3 . . 4.290 3.679 3.356 4.082 . 0 0 "[ . 1 . 2]" 1
961 1 38 TRP HH2 1 47 GLU H . . 5.340 4.898 4.605 5.318 . 0 0 "[ . 1 . 2]" 1
962 1 38 TRP HZ2 1 39 PHE HB3 . . 4.700 4.043 3.813 4.232 . 0 0 "[ . 1 . 2]" 1
963 1 38 TRP HZ2 1 39 PHE QD . . 5.500 4.561 4.252 4.893 . 0 0 "[ . 1 . 2]" 1
964 1 38 TRP HZ2 1 47 GLU QB . . 5.340 4.301 4.038 4.618 . 0 0 "[ . 1 . 2]" 1
965 1 38 TRP HZ2 1 47 GLU QG . . 3.990 3.661 3.176 3.991 0.001 15 0 "[ . 1 . 2]" 1
966 1 38 TRP HZ3 1 39 PHE HA . . 4.250 2.595 2.489 2.738 . 0 0 "[ . 1 . 2]" 1
967 1 38 TRP HZ3 1 39 PHE HB3 . . 5.500 3.695 3.517 3.912 . 0 0 "[ . 1 . 2]" 1
968 1 38 TRP HZ3 1 42 ASP HB2 . . 4.670 2.632 2.406 2.903 . 0 0 "[ . 1 . 2]" 1
969 1 38 TRP HZ3 1 42 ASP HB3 . . 3.970 2.880 2.681 3.164 . 0 0 "[ . 1 . 2]" 1
970 1 38 TRP HZ3 1 45 SER HB3 . . 4.020 3.619 3.359 3.937 . 0 0 "[ . 1 . 2]" 1
971 1 38 TRP HZ3 1 45 SER HG . . 5.500 4.159 3.557 4.599 . 0 0 "[ . 1 . 2]" 1
972 1 39 PHE H 1 39 PHE QD . . 3.830 2.365 2.049 2.620 . 0 0 "[ . 1 . 2]" 1
973 1 39 PHE H 1 40 LEU H . . 4.100 2.699 2.617 2.841 . 0 0 "[ . 1 . 2]" 1
974 1 39 PHE H 1 41 SER H . . 5.090 4.748 4.549 4.956 . 0 0 "[ . 1 . 2]" 1
975 1 39 PHE HA 1 39 PHE QD . . 4.280 3.720 3.708 3.727 . 0 0 "[ . 1 . 2]" 1
976 1 39 PHE HA 1 41 SER H . . 4.310 4.124 3.938 4.294 . 0 0 "[ . 1 . 2]" 1
977 1 39 PHE HA 1 42 ASP H . . 4.120 2.993 2.898 3.091 . 0 0 "[ . 1 . 2]" 1
978 1 39 PHE HA 1 42 ASP HB2 . . 4.250 2.901 2.617 3.200 . 0 0 "[ . 1 . 2]" 1
979 1 39 PHE HA 1 42 ASP HB3 . . 3.810 2.766 2.490 3.008 . 0 0 "[ . 1 . 2]" 1
980 1 39 PHE HA 1 45 SER HB3 . . 5.500 4.822 4.677 5.094 . 0 0 "[ . 1 . 2]" 1
981 1 39 PHE HB2 1 40 LEU H . . 5.020 3.846 3.752 3.983 . 0 0 "[ . 1 . 2]" 1
982 1 39 PHE HB2 1 47 GLU HB2 . . 4.440 2.575 2.218 2.912 . 0 0 "[ . 1 . 2]" 1
983 1 39 PHE HB2 1 47 GLU QB . . 3.820 2.512 2.192 2.839 . 0 0 "[ . 1 . 2]" 1
984 1 39 PHE HB2 1 47 GLU HB3 . . 4.440 3.562 3.245 3.949 . 0 0 "[ . 1 . 2]" 1
985 1 39 PHE HB2 1 48 TYR H . . 4.210 2.890 2.677 3.152 . 0 0 "[ . 1 . 2]" 1
986 1 39 PHE HB2 1 48 TYR HB2 . . 4.260 2.271 2.033 2.505 . 0 0 "[ . 1 . 2]" 1
987 1 39 PHE HB3 1 47 GLU QB . . 4.240 2.108 1.971 2.518 . 0 0 "[ . 1 . 2]" 1
988 1 39 PHE QD 1 40 LEU H . . 4.270 2.994 2.839 3.241 . 0 0 "[ . 1 . 2]" 1
989 1 39 PHE QD 1 40 LEU HA . . 4.590 2.816 2.595 3.104 . 0 0 "[ . 1 . 2]" 1
990 1 39 PHE QD 1 40 LEU MD2 . . 3.990 3.299 2.898 3.811 . 0 0 "[ . 1 . 2]" 1
991 1 39 PHE QD 1 47 GLU HB2 . . 4.900 2.944 2.723 3.233 . 0 0 "[ . 1 . 2]" 1
992 1 39 PHE QD 1 47 GLU HB3 . . 4.900 2.624 2.382 2.807 . 0 0 "[ . 1 . 2]" 1
993 1 39 PHE QD 1 47 GLU QG . . 5.160 3.527 2.969 3.972 . 0 0 "[ . 1 . 2]" 1
994 1 39 PHE QD 1 48 TYR H . . 4.950 3.836 3.521 4.311 . 0 0 "[ . 1 . 2]" 1
995 1 39 PHE QD 1 48 TYR HA . . 3.760 2.218 1.999 2.770 . 0 0 "[ . 1 . 2]" 1
996 1 39 PHE QD 1 48 TYR HB2 . . 4.200 2.631 2.283 3.133 . 0 0 "[ . 1 . 2]" 1
997 1 39 PHE QD 1 48 TYR HB3 . . 5.500 4.127 3.804 4.669 . 0 0 "[ . 1 . 2]" 1
998 1 39 PHE QD 1 48 TYR QD . . 4.460 2.778 2.407 3.236 . 0 0 "[ . 1 . 2]" 1
999 1 39 PHE QE 1 40 LEU MD2 . . 3.120 2.312 1.986 3.091 . 0 0 "[ . 1 . 2]" 1
1000 1 39 PHE QE 1 47 GLU QB . . 4.470 3.177 2.807 3.420 . 0 0 "[ . 1 . 2]" 1
1001 1 39 PHE QE 1 48 TYR HA . . 4.340 3.327 2.880 3.965 . 0 0 "[ . 1 . 2]" 1
1002 1 39 PHE QE 1 51 TYR HA . . 5.100 4.627 4.375 5.096 . 0 0 "[ . 1 . 2]" 1
1003 1 39 PHE QE 1 51 TYR HB2 . . 5.050 2.271 2.001 2.795 . 0 0 "[ . 1 . 2]" 1
1004 1 39 PHE QE 1 51 TYR QB . . 4.190 2.201 1.965 2.715 . 0 0 "[ . 1 . 2]" 1
1005 1 39 PHE QE 1 51 TYR HB3 . . 5.050 2.991 2.499 3.678 . 0 0 "[ . 1 . 2]" 1
1006 1 40 LEU H 1 40 LEU HB2 . . 3.780 2.487 2.336 2.631 . 0 0 "[ . 1 . 2]" 1
1007 1 40 LEU H 1 40 LEU QB . . 3.190 2.444 2.307 2.570 . 0 0 "[ . 1 . 2]" 1
1008 1 40 LEU H 1 40 LEU HB3 . . 3.780 3.598 3.574 3.616 . 0 0 "[ . 1 . 2]" 1
1009 1 40 LEU H 1 40 LEU MD1 . . 3.780 3.644 3.535 3.783 0.003 14 0 "[ . 1 . 2]" 1
1010 1 40 LEU H 1 40 LEU MD2 . . 4.120 3.400 3.180 3.787 . 0 0 "[ . 1 . 2]" 1
1011 1 40 LEU H 1 40 LEU HG . . 3.370 2.329 2.092 2.638 . 0 0 "[ . 1 . 2]" 1
1012 1 40 LEU H 1 41 SER H . . 3.490 3.029 2.923 3.171 . 0 0 "[ . 1 . 2]" 1
1013 1 40 LEU H 1 42 ASP H . . 4.260 4.211 4.166 4.261 0.001 3 0 "[ . 1 . 2]" 1
1014 1 40 LEU H 1 48 TYR QD . . 4.670 4.136 3.936 4.316 . 0 0 "[ . 1 . 2]" 1
1015 1 40 LEU HA 1 40 LEU MD1 . . 3.980 3.845 3.809 3.889 . 0 0 "[ . 1 . 2]" 1
1016 1 40 LEU HA 1 40 LEU MD2 . . 3.080 2.041 1.971 2.194 . 0 0 "[ . 1 . 2]" 1
1017 1 40 LEU HA 1 40 LEU HG . . 3.850 2.979 2.726 3.107 . 0 0 "[ . 1 . 2]" 1
1018 1 40 LEU HA 1 42 ASP H . . 4.570 4.509 4.417 4.571 0.001 12 0 "[ . 1 . 2]" 1
1019 1 40 LEU HA 1 48 TYR QD . . 3.440 2.252 2.090 2.421 . 0 0 "[ . 1 . 2]" 1
1020 1 40 LEU HA 1 48 TYR QE . . 3.830 3.332 3.111 3.653 . 0 0 "[ . 1 . 2]" 1
1021 1 40 LEU HA 1 51 TYR QD . . 5.000 4.201 3.849 4.524 . 0 0 "[ . 1 . 2]" 1
1022 1 40 LEU QB 1 40 LEU MD2 . . 3.030 2.259 2.201 2.283 . 0 0 "[ . 1 . 2]" 1
1023 1 40 LEU QB 1 41 SER H . . 3.820 2.420 2.288 2.551 . 0 0 "[ . 1 . 2]" 1
1024 1 40 LEU HB2 1 40 LEU MD1 . . 3.400 2.289 2.150 2.364 . 0 0 "[ . 1 . 2]" 1
1025 1 40 LEU HB2 1 40 LEU MD2 . . 3.500 3.179 3.171 3.186 . 0 0 "[ . 1 . 2]" 1
1026 1 40 LEU HB2 1 41 SER H . . 4.590 2.488 2.336 2.622 . 0 0 "[ . 1 . 2]" 1
1027 1 40 LEU HB3 1 40 LEU MD1 . . 3.400 2.382 2.296 2.519 . 0 0 "[ . 1 . 2]" 1
1028 1 40 LEU HB3 1 40 LEU MD2 . . 3.500 2.311 2.245 2.340 . 0 0 "[ . 1 . 2]" 1
1029 1 40 LEU HB3 1 41 SER H . . 4.590 3.325 3.007 3.494 . 0 0 "[ . 1 . 2]" 1
1030 1 40 LEU MD1 1 41 SER H . . 5.100 4.386 4.246 4.488 . 0 0 "[ . 1 . 2]" 1
1031 1 40 LEU MD2 1 41 SER H . . 5.320 4.600 4.484 4.676 . 0 0 "[ . 1 . 2]" 1
1032 1 40 LEU MD2 1 48 TYR QD . . 3.760 3.600 3.467 3.669 . 0 0 "[ . 1 . 2]" 1
1033 1 40 LEU MD2 1 48 TYR QE . . 3.930 3.864 3.722 3.932 0.002 19 0 "[ . 1 . 2]" 1
1034 1 40 LEU MD2 1 51 TYR QB . . 5.170 3.058 2.818 3.378 . 0 0 "[ . 1 . 2]" 1
1035 1 40 LEU MD2 1 51 TYR QD . . 4.030 2.970 2.731 3.283 . 0 0 "[ . 1 . 2]" 1
1036 1 40 LEU MD2 1 51 TYR QE . . 3.920 3.029 2.686 3.381 . 0 0 "[ . 1 . 2]" 1
1037 1 40 LEU HG 1 41 SER H . . 4.850 4.472 4.320 4.686 . 0 0 "[ . 1 . 2]" 1
1038 1 40 LEU HG 1 48 TYR QD . . 5.170 5.022 4.863 5.169 . 0 0 "[ . 1 . 2]" 1
1039 1 41 SER H 1 41 SER HB2 . . 3.740 2.300 2.075 3.582 . 0 0 "[ . 1 . 2]" 1
1040 1 41 SER H 1 41 SER QB . . 3.000 2.212 2.052 2.525 . 0 0 "[ . 1 . 2]" 1
1041 1 41 SER H 1 41 SER HB3 . . 3.740 3.377 2.390 3.600 . 0 0 "[ . 1 . 2]" 1
1042 1 41 SER H 1 42 ASP H . . 2.760 2.588 2.481 2.668 . 0 0 "[ . 1 . 2]" 1
1043 1 41 SER H 1 42 ASP HB2 . . 5.500 4.690 4.536 4.913 . 0 0 "[ . 1 . 2]" 1
1044 1 41 SER H 1 42 ASP HB3 . . 5.500 5.219 5.084 5.359 . 0 0 "[ . 1 . 2]" 1
1045 1 41 SER QB 1 42 ASP H . . 3.750 2.745 2.606 3.441 . 0 0 "[ . 1 . 2]" 1
1046 1 41 SER HB2 1 42 ASP H . . 4.440 3.005 2.661 3.933 . 0 0 "[ . 1 . 2]" 1
1047 1 41 SER HB3 1 42 ASP H . . 4.440 3.340 2.920 3.824 . 0 0 "[ . 1 . 2]" 1
1048 1 42 ASP H 1 42 ASP HB2 . . 3.990 2.315 2.221 2.431 . 0 0 "[ . 1 . 2]" 1
1049 1 42 ASP H 1 42 ASP HB3 . . 3.770 2.836 2.679 2.964 . 0 0 "[ . 1 . 2]" 1
1050 1 42 ASP H 1 43 GLU H . . 4.990 4.609 4.471 4.631 . 0 0 "[ . 1 . 2]" 1
1051 1 42 ASP HA 1 43 GLU H . . 3.160 2.291 2.141 2.345 . 0 0 "[ . 1 . 2]" 1
1052 1 42 ASP HA 1 43 GLU QB . . 4.780 4.153 4.099 4.430 . 0 0 "[ . 1 . 2]" 1
1053 1 42 ASP HA 1 43 GLU QG . . 4.890 4.097 4.006 4.710 . 0 0 "[ . 1 . 2]" 1
1054 1 42 ASP HA 1 44 ASN H . . 4.240 4.008 3.597 4.145 . 0 0 "[ . 1 . 2]" 1
1055 1 42 ASP HB2 1 43 GLU H . . 4.860 4.138 4.027 4.489 . 0 0 "[ . 1 . 2]" 1
1056 1 42 ASP HB2 1 45 SER HB3 . . 4.560 4.362 4.183 4.554 . 0 0 "[ . 1 . 2]" 1
1057 1 42 ASP HB2 1 45 SER HG . . 4.750 4.033 3.689 4.490 . 0 0 "[ . 1 . 2]" 1
1058 1 42 ASP HB3 1 43 GLU H . . 4.820 3.520 3.321 3.990 . 0 0 "[ . 1 . 2]" 1
1059 1 42 ASP HB3 1 45 SER H . . 4.830 4.514 4.153 4.823 . 0 0 "[ . 1 . 2]" 1
1060 1 42 ASP HB3 1 45 SER HB3 . . 4.350 3.166 2.843 3.382 . 0 0 "[ . 1 . 2]" 1
1061 1 42 ASP HB3 1 45 SER HG . . 4.620 2.322 2.000 2.758 . 0 0 "[ . 1 . 2]" 1
1062 1 42 ASP HB3 1 48 TYR HB2 . . 5.060 3.551 3.416 3.929 . 0 0 "[ . 1 . 2]" 1
1063 1 43 GLU H 1 43 GLU HB2 . . 3.670 2.573 2.488 3.635 . 0 0 "[ . 1 . 2]" 1
1064 1 43 GLU H 1 43 GLU QB . . 3.170 2.471 2.381 2.505 . 0 0 "[ . 1 . 2]" 1
1065 1 43 GLU H 1 43 GLU HB3 . . 3.670 3.606 2.413 3.688 0.018 15 0 "[ . 1 . 2]" 1
1066 1 43 GLU H 1 43 GLU HG2 . . 4.190 3.964 2.808 4.166 . 0 0 "[ . 1 . 2]" 1
1067 1 43 GLU H 1 43 GLU QG . . 3.380 3.308 2.762 3.382 0.002 16 0 "[ . 1 . 2]" 1
1068 1 43 GLU H 1 43 GLU HG3 . . 4.190 3.603 3.178 4.090 . 0 0 "[ . 1 . 2]" 1
1069 1 43 GLU H 1 44 ASN H . . 3.680 1.900 1.825 2.175 . 0 0 "[ . 1 . 2]" 1
1070 1 43 GLU H 1 44 ASN QB . . 5.280 3.822 3.653 4.181 . 0 0 "[ . 1 . 2]" 1
1071 1 43 GLU H 1 45 SER H . . 4.690 4.230 3.938 4.439 . 0 0 "[ . 1 . 2]" 1
1072 1 43 GLU HA 1 43 GLU HG2 . . 3.710 2.345 2.189 3.648 . 0 0 "[ . 1 . 2]" 1
1073 1 43 GLU HA 1 43 GLU QG . . 3.190 2.237 2.157 3.230 0.040 12 0 "[ . 1 . 2]" 1
1074 1 43 GLU HA 1 43 GLU HG3 . . 3.710 3.209 2.435 3.604 . 0 0 "[ . 1 . 2]" 1
1075 1 43 GLU HA 1 45 SER H . . 4.670 3.656 3.466 3.802 . 0 0 "[ . 1 . 2]" 1
1076 1 43 GLU HA 1 48 TYR HA . . 5.500 5.458 5.176 5.503 0.003 14 0 "[ . 1 . 2]" 1
1077 1 43 GLU HA 1 48 TYR HB3 . . 3.950 3.181 2.949 3.274 . 0 0 "[ . 1 . 2]" 1
1078 1 43 GLU HA 1 48 TYR QD . . 3.850 2.727 2.505 2.904 . 0 0 "[ . 1 . 2]" 1
1079 1 43 GLU HA 1 48 TYR QE . . 4.250 3.249 3.098 3.436 . 0 0 "[ . 1 . 2]" 1
1080 1 43 GLU QB 1 43 GLU QG . . 2.240 2.057 2.019 2.074 . 0 0 "[ . 1 . 2]" 1
1081 1 43 GLU QB 1 45 SER H . . 5.200 4.471 4.348 4.684 . 0 0 "[ . 1 . 2]" 1
1082 1 43 GLU QB 1 48 TYR QD . . 4.660 4.057 3.485 4.225 . 0 0 "[ . 1 . 2]" 1
1083 1 43 GLU QB 1 48 TYR QE . . 3.870 3.586 2.635 3.860 . 0 0 "[ . 1 . 2]" 1
1084 1 43 GLU HB2 1 44 ASN H . . 4.360 2.938 2.584 4.265 . 0 0 "[ . 1 . 2]" 1
1085 1 43 GLU HB2 1 48 TYR QD . . 5.340 5.138 3.613 5.343 0.003 7 0 "[ . 1 . 2]" 1
1086 1 43 GLU HB3 1 44 ASN H . . 4.360 3.562 3.452 3.717 . 0 0 "[ . 1 . 2]" 1
1087 1 43 GLU HB3 1 48 TYR QD . . 5.340 4.287 3.961 4.581 . 0 0 "[ . 1 . 2]" 1
1088 1 43 GLU QG 1 44 ASN H . . 4.480 4.223 2.357 4.389 . 0 0 "[ . 1 . 2]" 1
1089 1 43 GLU QG 1 48 TYR QD . . 4.750 3.658 3.484 4.425 . 0 0 "[ . 1 . 2]" 1
1090 1 43 GLU QG 1 48 TYR QE . . 4.230 2.845 2.573 4.017 . 0 0 "[ . 1 . 2]" 1
1091 1 43 GLU HG2 1 44 ASN H . . 5.100 4.833 2.387 5.103 0.003 15 0 "[ . 1 . 2]" 1
1092 1 43 GLU HG2 1 48 TYR QD . . 5.410 3.851 3.559 5.409 . 0 0 "[ . 1 . 2]" 1
1093 1 43 GLU HG3 1 44 ASN H . . 5.100 4.703 3.657 4.871 . 0 0 "[ . 1 . 2]" 1
1094 1 43 GLU HG3 1 48 TYR QD . . 5.410 4.882 4.029 5.202 . 0 0 "[ . 1 . 2]" 1
1095 1 44 ASN H 1 44 ASN HB2 . . 3.630 2.366 2.137 3.627 . 0 0 "[ . 1 . 2]" 1
1096 1 44 ASN H 1 44 ASN QB . . 2.920 2.247 2.114 2.526 . 0 0 "[ . 1 . 2]" 1
1097 1 44 ASN H 1 44 ASN HB3 . . 3.630 3.145 2.559 3.635 0.005 19 0 "[ . 1 . 2]" 1
1098 1 44 ASN H 1 45 SER HG . . 4.720 4.149 3.886 4.530 . 0 0 "[ . 1 . 2]" 1
1099 1 44 ASN H 1 49 LYS QE . . 5.500 5.488 5.423 5.502 0.002 7 0 "[ . 1 . 2]" 1
1100 1 44 ASN HA 1 49 LYS QE . . 3.830 3.378 3.260 3.493 . 0 0 "[ . 1 . 2]" 1
1101 1 44 ASN QB 1 45 SER H . . 4.240 3.912 3.826 4.059 . 0 0 "[ . 1 . 2]" 1
1102 1 44 ASN HB2 1 44 ASN HD22 . . 4.030 3.650 3.434 3.971 . 0 0 "[ . 1 . 2]" 1
1103 1 44 ASN HB3 1 44 ASN HD22 . . 4.030 3.646 3.439 4.007 . 0 0 "[ . 1 . 2]" 1
1104 1 45 SER H 1 45 SER HB2 . . 4.020 3.825 3.787 3.873 . 0 0 "[ . 1 . 2]" 1
1105 1 45 SER H 1 45 SER HB3 . . 3.540 3.205 3.046 3.298 . 0 0 "[ . 1 . 2]" 1
1106 1 45 SER H 1 45 SER HG . . 3.560 2.589 2.047 3.228 . 0 0 "[ . 1 . 2]" 1
1107 1 45 SER H 1 46 LEU H . . 5.410 4.390 4.350 4.434 . 0 0 "[ . 1 . 2]" 1
1108 1 45 SER H 1 48 TYR H . . 4.630 4.421 4.362 4.493 . 0 0 "[ . 1 . 2]" 1
1109 1 45 SER H 1 48 TYR HB2 . . 4.630 4.551 4.436 4.624 . 0 0 "[ . 1 . 2]" 1
1110 1 45 SER H 1 48 TYR HB3 . . 3.950 3.149 3.051 3.242 . 0 0 "[ . 1 . 2]" 1
1111 1 45 SER H 1 48 TYR QD . . 5.430 3.985 3.850 4.161 . 0 0 "[ . 1 . 2]" 1
1112 1 45 SER H 1 49 LYS HB2 . . 5.500 5.227 5.020 5.419 . 0 0 "[ . 1 . 2]" 1
1113 1 45 SER H 1 49 LYS HD2 . . 5.500 4.665 4.397 4.938 . 0 0 "[ . 1 . 2]" 1
1114 1 45 SER HA 1 46 LEU H . . 3.230 2.627 2.534 2.697 . 0 0 "[ . 1 . 2]" 1
1115 1 45 SER HA 1 46 LEU HB2 . . 4.880 4.877 4.830 4.889 0.009 8 0 "[ . 1 . 2]" 1
1116 1 45 SER HA 1 46 LEU HB3 . . 4.880 4.504 4.476 4.575 . 0 0 "[ . 1 . 2]" 1
1117 1 45 SER HA 1 47 GLU H . . 5.220 4.749 4.667 4.890 . 0 0 "[ . 1 . 2]" 1
1118 1 45 SER HB2 1 46 LEU H . . 3.960 2.030 1.910 2.168 . 0 0 "[ . 1 . 2]" 1
1119 1 45 SER HB2 1 47 GLU H . . 4.730 3.085 2.958 3.295 . 0 0 "[ . 1 . 2]" 1
1120 1 45 SER HB2 1 48 TYR H . . 4.690 3.530 3.390 3.843 . 0 0 "[ . 1 . 2]" 1
1121 1 45 SER HB3 1 46 LEU H . . 4.440 3.542 3.457 3.640 . 0 0 "[ . 1 . 2]" 1
1122 1 45 SER HB3 1 47 GLU H . . 5.340 4.778 4.690 4.970 . 0 0 "[ . 1 . 2]" 1
1123 1 45 SER HB3 1 48 TYR H . . 4.740 4.521 4.432 4.618 . 0 0 "[ . 1 . 2]" 1
1124 1 45 SER HB3 1 48 TYR HB2 . . 5.500 4.822 4.658 4.933 . 0 0 "[ . 1 . 2]" 1
1125 1 45 SER HG 1 48 TYR H . . 4.050 3.320 2.812 3.542 . 0 0 "[ . 1 . 2]" 1
1126 1 45 SER HG 1 48 TYR HA . . 5.230 4.908 4.577 5.087 . 0 0 "[ . 1 . 2]" 1
1127 1 45 SER HG 1 48 TYR HB2 . . 4.360 2.820 2.613 2.993 . 0 0 "[ . 1 . 2]" 1
1128 1 45 SER HG 1 48 TYR HB3 . . 4.300 2.445 2.156 2.834 . 0 0 "[ . 1 . 2]" 1
1129 1 45 SER HG 1 48 TYR QD . . 5.500 4.153 3.890 4.412 . 0 0 "[ . 1 . 2]" 1
1130 1 46 LEU H 1 46 LEU HB2 . . 3.600 3.179 3.111 3.233 . 0 0 "[ . 1 . 2]" 1
1131 1 46 LEU H 1 46 LEU HB3 . . 3.600 2.215 2.182 2.239 . 0 0 "[ . 1 . 2]" 1
1132 1 46 LEU H 1 46 LEU MD1 . . 4.350 3.340 3.262 3.424 . 0 0 "[ . 1 . 2]" 1
1133 1 46 LEU H 1 46 LEU MD2 . . 4.690 4.119 4.101 4.143 . 0 0 "[ . 1 . 2]" 1
1134 1 46 LEU H 1 46 LEU HG . . 5.080 4.650 4.622 4.670 . 0 0 "[ . 1 . 2]" 1
1135 1 46 LEU H 1 47 GLU H . . 4.080 2.303 2.225 2.410 . 0 0 "[ . 1 . 2]" 1
1136 1 46 LEU HA 1 46 LEU MD1 . . 4.000 3.592 3.548 3.616 . 0 0 "[ . 1 . 2]" 1
1137 1 46 LEU HA 1 46 LEU MD2 . . 3.250 2.129 2.068 2.165 . 0 0 "[ . 1 . 2]" 1
1138 1 46 LEU HA 1 49 LYS H . . 4.500 3.140 3.055 3.235 . 0 0 "[ . 1 . 2]" 1
1139 1 46 LEU HA 1 49 LYS HB2 . . 3.760 2.218 2.154 2.299 . 0 0 "[ . 1 . 2]" 1
1140 1 46 LEU HA 1 49 LYS HB3 . . 4.110 3.726 3.644 3.800 . 0 0 "[ . 1 . 2]" 1
1141 1 46 LEU HA 1 49 LYS HD2 . . 4.020 2.069 1.996 2.185 . 0 0 "[ . 1 . 2]" 1
1142 1 46 LEU HA 1 49 LYS HD3 . . 4.640 3.651 3.532 3.780 . 0 0 "[ . 1 . 2]" 1
1143 1 46 LEU HA 1 49 LYS QE . . 5.000 3.591 3.441 3.751 . 0 0 "[ . 1 . 2]" 1
1144 1 46 LEU HA 1 49 LYS HG3 . . 5.290 4.275 4.153 4.424 . 0 0 "[ . 1 . 2]" 1
1145 1 46 LEU HA 1 50 TYR H . . 4.930 4.792 4.728 4.867 . 0 0 "[ . 1 . 2]" 1
1146 1 46 LEU QB 1 46 LEU MD1 . . 3.130 2.049 2.022 2.066 . 0 0 "[ . 1 . 2]" 1
1147 1 46 LEU QB 1 46 LEU MD2 . . 3.230 2.417 2.393 2.438 . 0 0 "[ . 1 . 2]" 1
1148 1 46 LEU QB 1 47 GLU H . . 3.790 2.681 2.554 2.741 . 0 0 "[ . 1 . 2]" 1
1149 1 46 LEU QB 1 47 GLU QG . . 4.690 3.833 3.573 4.236 . 0 0 "[ . 1 . 2]" 1
1150 1 46 LEU HB2 1 47 GLU H . . 4.560 4.015 3.934 4.059 . 0 0 "[ . 1 . 2]" 1
1151 1 46 LEU HB3 1 47 GLU H . . 4.560 2.723 2.588 2.787 . 0 0 "[ . 1 . 2]" 1
1152 1 46 LEU MD1 1 47 GLU H . . 4.390 2.185 2.006 2.273 . 0 0 "[ . 1 . 2]" 1
1153 1 46 LEU MD1 1 47 GLU HA . . 3.270 2.016 1.969 2.104 . 0 0 "[ . 1 . 2]" 1
1154 1 46 LEU MD1 1 47 GLU QG . . 3.280 2.031 1.883 2.216 . 0 0 "[ . 1 . 2]" 1
1155 1 46 LEU MD1 1 50 TYR H . . 5.500 4.598 4.431 4.685 . 0 0 "[ . 1 . 2]" 1
1156 1 46 LEU MD1 1 50 TYR HB2 . . 5.310 4.507 4.333 4.593 . 0 0 "[ . 1 . 2]" 1
1157 1 46 LEU MD1 1 50 TYR QD . . 4.600 4.044 3.930 4.123 . 0 0 "[ . 1 . 2]" 1
1158 1 46 LEU MD1 1 50 TYR QE . . 4.090 4.044 3.941 4.080 . 0 0 "[ . 1 . 2]" 1
1159 1 46 LEU MD2 1 47 GLU H . . 5.070 3.585 3.470 3.644 . 0 0 "[ . 1 . 2]" 1
1160 1 46 LEU MD2 1 47 GLU HA . . 4.030 3.048 2.936 3.215 . 0 0 "[ . 1 . 2]" 1
1161 1 46 LEU MD2 1 47 GLU QG . . 4.620 3.965 3.879 4.134 . 0 0 "[ . 1 . 2]" 1
1162 1 46 LEU MD2 1 49 LYS H . . 5.190 3.631 3.541 3.733 . 0 0 "[ . 1 . 2]" 1
1163 1 46 LEU MD2 1 49 LYS HB2 . . 3.750 2.705 2.579 2.833 . 0 0 "[ . 1 . 2]" 1
1164 1 46 LEU MD2 1 49 LYS QE . . 5.500 4.830 4.650 4.991 . 0 0 "[ . 1 . 2]" 1
1165 1 46 LEU MD2 1 50 TYR H . . 4.570 3.627 3.517 3.693 . 0 0 "[ . 1 . 2]" 1
1166 1 46 LEU MD2 1 50 TYR HA . . 4.900 4.752 4.678 4.835 . 0 0 "[ . 1 . 2]" 1
1167 1 46 LEU MD2 1 50 TYR HB2 . . 4.150 3.908 3.865 3.970 . 0 0 "[ . 1 . 2]" 1
1168 1 46 LEU MD2 1 50 TYR HB3 . . 5.050 4.925 4.880 4.973 . 0 0 "[ . 1 . 2]" 1
1169 1 46 LEU MD2 1 50 TYR QD . . 3.910 2.468 2.424 2.519 . 0 0 "[ . 1 . 2]" 1
1170 1 46 LEU MD2 1 50 TYR QE . . 4.540 1.888 1.871 1.904 . 0 0 "[ . 1 . 2]" 1
1171 1 46 LEU MD2 1 51 TYR H . . 5.500 5.498 5.490 5.505 0.005 11 0 "[ . 1 . 2]" 1
1172 1 46 LEU HG 1 47 GLU H . . 5.370 4.379 4.235 4.440 . 0 0 "[ . 1 . 2]" 1
1173 1 46 LEU HG 1 47 GLU HA . . 5.320 4.941 4.873 4.990 . 0 0 "[ . 1 . 2]" 1
1174 1 46 LEU HG 1 47 GLU QG . . 5.340 4.589 4.444 4.814 . 0 0 "[ . 1 . 2]" 1
1175 1 46 LEU HG 1 50 TYR QE . . 4.210 4.176 4.162 4.193 . 0 0 "[ . 1 . 2]" 1
1176 1 47 GLU H 1 47 GLU HB2 . . 4.040 2.503 2.290 2.675 . 0 0 "[ . 1 . 2]" 1
1177 1 47 GLU H 1 47 GLU QB . . 3.520 2.457 2.264 2.605 . 0 0 "[ . 1 . 2]" 1
1178 1 47 GLU H 1 47 GLU HB3 . . 4.040 3.584 3.548 3.593 . 0 0 "[ . 1 . 2]" 1
1179 1 47 GLU H 1 47 GLU HG2 . . 4.840 3.118 2.482 3.809 . 0 0 "[ . 1 . 2]" 1
1180 1 47 GLU H 1 47 GLU HG3 . . 4.840 2.678 2.097 3.225 . 0 0 "[ . 1 . 2]" 1
1181 1 47 GLU H 1 48 TYR H . . 4.380 2.704 2.664 2.773 . 0 0 "[ . 1 . 2]" 1
1182 1 47 GLU HA 1 47 GLU HG2 . . 4.100 2.710 2.182 3.580 . 0 0 "[ . 1 . 2]" 1
1183 1 47 GLU HA 1 47 GLU QG . . 3.470 2.347 2.154 2.459 . 0 0 "[ . 1 . 2]" 1
1184 1 47 GLU HA 1 47 GLU HG3 . . 4.100 3.168 2.375 3.679 . 0 0 "[ . 1 . 2]" 1
1185 1 47 GLU HA 1 49 LYS H . . 4.860 4.179 4.059 4.247 . 0 0 "[ . 1 . 2]" 1
1186 1 47 GLU HA 1 50 TYR H . . 4.640 3.880 3.762 3.945 . 0 0 "[ . 1 . 2]" 1
1187 1 47 GLU HA 1 50 TYR HB2 . . 4.180 3.596 3.575 3.612 . 0 0 "[ . 1 . 2]" 1
1188 1 47 GLU HA 1 50 TYR HB3 . . 5.250 5.248 5.219 5.256 0.006 12 0 "[ . 1 . 2]" 1
1189 1 47 GLU HA 1 50 TYR QD . . 5.170 4.257 4.173 4.351 . 0 0 "[ . 1 . 2]" 1
1190 1 47 GLU HA 1 51 TYR H . . 5.500 4.839 4.730 4.941 . 0 0 "[ . 1 . 2]" 1
1191 1 47 GLU QB 1 48 TYR H . . 3.530 2.807 2.737 2.891 . 0 0 "[ . 1 . 2]" 1
1192 1 47 GLU HB2 1 48 TYR H . . 4.090 2.889 2.796 2.996 . 0 0 "[ . 1 . 2]" 1
1193 1 47 GLU HB3 1 48 TYR H . . 4.090 3.832 3.586 3.986 . 0 0 "[ . 1 . 2]" 1
1194 1 48 TYR H 1 48 TYR HB2 . . 3.600 2.756 2.716 2.819 . 0 0 "[ . 1 . 2]" 1
1195 1 48 TYR H 1 48 TYR HB3 . . 3.640 2.428 2.384 2.451 . 0 0 "[ . 1 . 2]" 1
1196 1 48 TYR H 1 48 TYR QD . . 4.750 4.172 4.131 4.188 . 0 0 "[ . 1 . 2]" 1
1197 1 48 TYR H 1 49 LYS H . . 3.470 2.333 2.271 2.393 . 0 0 "[ . 1 . 2]" 1
1198 1 48 TYR HA 1 48 TYR QD . . 3.950 3.047 2.996 3.098 . 0 0 "[ . 1 . 2]" 1
1199 1 48 TYR HA 1 50 TYR H . . 5.150 3.763 3.644 4.021 . 0 0 "[ . 1 . 2]" 1
1200 1 48 TYR HA 1 51 TYR H . . 4.300 3.440 3.285 3.535 . 0 0 "[ . 1 . 2]" 1
1201 1 48 TYR HA 1 51 TYR HA . . 5.490 5.462 5.354 5.493 0.003 11 0 "[ . 1 . 2]" 1
1202 1 48 TYR HA 1 51 TYR HB2 . . 3.990 3.763 3.586 3.861 . 0 0 "[ . 1 . 2]" 1
1203 1 48 TYR HA 1 51 TYR QB . . 3.300 2.805 2.749 2.878 . 0 0 "[ . 1 . 2]" 1
1204 1 48 TYR HA 1 51 TYR HB3 . . 3.990 2.895 2.826 2.980 . 0 0 "[ . 1 . 2]" 1
1205 1 48 TYR HA 1 51 TYR QD . . 4.490 4.334 4.135 4.473 . 0 0 "[ . 1 . 2]" 1
1206 1 48 TYR HA 1 52 LYS H . . 4.630 4.300 4.259 4.349 . 0 0 "[ . 1 . 2]" 1
1207 1 48 TYR HA 1 52 LYS HG2 . . 5.210 4.709 4.530 4.899 . 0 0 "[ . 1 . 2]" 1
1208 1 48 TYR HB2 1 49 LYS H . . 4.600 4.126 4.087 4.166 . 0 0 "[ . 1 . 2]" 1
1209 1 48 TYR HB3 1 49 LYS H . . 3.930 3.004 2.948 3.087 . 0 0 "[ . 1 . 2]" 1
1210 1 48 TYR HB3 1 49 LYS HB2 . . 5.140 4.726 4.681 4.768 . 0 0 "[ . 1 . 2]" 1
1211 1 48 TYR QD 1 49 LYS H . . 4.670 3.666 3.521 3.767 . 0 0 "[ . 1 . 2]" 1
1212 1 48 TYR QD 1 49 LYS HA . . 4.430 3.130 3.004 3.241 . 0 0 "[ . 1 . 2]" 1
1213 1 48 TYR QD 1 49 LYS HB2 . . 4.880 4.836 4.698 4.884 0.004 10 0 "[ . 1 . 2]" 1
1214 1 48 TYR QD 1 49 LYS QE . . 5.230 4.303 4.084 4.527 . 0 0 "[ . 1 . 2]" 1
1215 1 48 TYR QD 1 49 LYS HG2 . . 5.420 5.324 5.150 5.415 . 0 0 "[ . 1 . 2]" 1
1216 1 48 TYR QD 1 49 LYS HG3 . . 4.740 3.726 3.534 3.805 . 0 0 "[ . 1 . 2]" 1
1217 1 48 TYR QD 1 51 TYR QD . . 4.580 4.076 3.896 4.316 . 0 0 "[ . 1 . 2]" 1
1218 1 48 TYR QD 1 52 LYS HB2 . . 4.100 4.065 3.973 4.104 0.004 18 0 "[ . 1 . 2]" 1
1219 1 48 TYR QD 1 52 LYS HG2 . . 5.300 3.999 3.837 4.123 . 0 0 "[ . 1 . 2]" 1
1220 1 48 TYR QD 1 52 LYS HG3 . . 4.830 3.646 3.503 3.825 . 0 0 "[ . 1 . 2]" 1
1221 1 48 TYR QE 1 51 TYR QE . . 4.940 4.415 4.251 4.648 . 0 0 "[ . 1 . 2]" 1
1222 1 48 TYR QE 1 52 LYS HB2 . . 4.020 3.839 3.728 3.917 . 0 0 "[ . 1 . 2]" 1
1223 1 48 TYR QE 1 52 LYS HB3 . . 5.310 4.316 4.243 4.401 . 0 0 "[ . 1 . 2]" 1
1224 1 48 TYR QE 1 52 LYS HD2 . . 5.150 4.820 4.631 4.951 . 0 0 "[ . 1 . 2]" 1
1225 1 48 TYR QE 1 52 LYS HD3 . . 3.990 3.834 3.546 3.992 0.002 17 0 "[ . 1 . 2]" 1
1226 1 48 TYR QE 1 52 LYS QE . . 4.290 3.305 2.885 4.258 . 0 0 "[ . 1 . 2]" 1
1227 1 48 TYR QE 1 52 LYS HG2 . . 4.560 3.398 3.274 3.511 . 0 0 "[ . 1 . 2]" 1
1228 1 48 TYR QE 1 52 LYS HG3 . . 3.840 2.263 2.084 2.435 . 0 0 "[ . 1 . 2]" 1
1229 1 49 LYS H 1 49 LYS HB2 . . 3.220 2.078 2.070 2.097 . 0 0 "[ . 1 . 2]" 1
1230 1 49 LYS H 1 49 LYS HB3 . . 4.000 3.350 3.327 3.395 . 0 0 "[ . 1 . 2]" 1
1231 1 49 LYS H 1 49 LYS HD2 . . 4.700 3.603 3.518 3.661 . 0 0 "[ . 1 . 2]" 1
1232 1 49 LYS H 1 49 LYS HD3 . . 5.060 5.002 4.910 5.058 . 0 0 "[ . 1 . 2]" 1
1233 1 49 LYS H 1 49 LYS QE . . 4.900 4.231 4.129 4.396 . 0 0 "[ . 1 . 2]" 1
1234 1 49 LYS H 1 49 LYS HG2 . . 4.690 4.466 4.413 4.496 . 0 0 "[ . 1 . 2]" 1
1235 1 49 LYS H 1 49 LYS HG3 . . 3.920 3.510 3.392 3.572 . 0 0 "[ . 1 . 2]" 1
1236 1 49 LYS H 1 50 TYR H . . 3.940 2.590 2.529 2.630 . 0 0 "[ . 1 . 2]" 1
1237 1 49 LYS H 1 50 TYR QE . . 5.500 5.501 5.495 5.507 0.007 10 0 "[ . 1 . 2]" 1
1238 1 49 LYS HA 1 49 LYS HD2 . . 4.240 4.148 4.088 4.193 . 0 0 "[ . 1 . 2]" 1
1239 1 49 LYS HA 1 49 LYS QE . . 4.430 3.978 3.899 4.136 . 0 0 "[ . 1 . 2]" 1
1240 1 49 LYS HA 1 49 LYS HG2 . . 3.050 2.932 2.890 2.984 . 0 0 "[ . 1 . 2]" 1
1241 1 49 LYS HA 1 49 LYS HG3 . . 3.730 2.156 2.120 2.201 . 0 0 "[ . 1 . 2]" 1
1242 1 49 LYS HA 1 52 LYS H . . 4.860 3.977 3.856 4.105 . 0 0 "[ . 1 . 2]" 1
1243 1 49 LYS HA 1 52 LYS HB2 . . 4.070 3.273 3.156 3.398 . 0 0 "[ . 1 . 2]" 1
1244 1 49 LYS HA 1 52 LYS HB3 . . 5.090 4.817 4.708 4.937 . 0 0 "[ . 1 . 2]" 1
1245 1 49 LYS HA 1 52 LYS HG2 . . 5.500 5.007 4.756 5.175 . 0 0 "[ . 1 . 2]" 1
1246 1 49 LYS HA 1 52 LYS HG3 . . 4.860 4.675 4.518 4.827 . 0 0 "[ . 1 . 2]" 1
1247 1 49 LYS HB2 1 50 TYR H . . 3.970 3.335 3.191 3.405 . 0 0 "[ . 1 . 2]" 1
1248 1 49 LYS HB2 1 50 TYR QD . . 4.540 3.205 3.162 3.282 . 0 0 "[ . 1 . 2]" 1
1249 1 49 LYS HB2 1 50 TYR QE . . 4.410 4.259 4.213 4.346 . 0 0 "[ . 1 . 2]" 1
1250 1 49 LYS HB3 1 49 LYS HD3 . . 3.940 3.233 3.145 3.288 . 0 0 "[ . 1 . 2]" 1
1251 1 49 LYS HB3 1 50 TYR H . . 4.560 3.420 3.211 3.580 . 0 0 "[ . 1 . 2]" 1
1252 1 49 LYS HB3 1 50 TYR QE . . 3.990 3.746 3.685 3.840 . 0 0 "[ . 1 . 2]" 1
1253 1 49 LYS HD2 1 50 TYR QE . . 5.420 5.220 5.093 5.392 . 0 0 "[ . 1 . 2]" 1
1254 1 49 LYS HD3 1 50 TYR QE . . 5.500 5.479 5.426 5.501 0.001 12 0 "[ . 1 . 2]" 1
1255 1 49 LYS HG3 1 50 TYR H . . 5.190 5.007 4.971 5.025 . 0 0 "[ . 1 . 2]" 1
1256 1 50 TYR H 1 50 TYR HB2 . . 3.490 2.281 2.270 2.291 . 0 0 "[ . 1 . 2]" 1
1257 1 50 TYR H 1 50 TYR HB3 . . 3.680 3.556 3.550 3.560 . 0 0 "[ . 1 . 2]" 1
1258 1 50 TYR H 1 50 TYR QD . . 4.100 2.323 2.148 2.430 . 0 0 "[ . 1 . 2]" 1
1259 1 50 TYR H 1 50 TYR QE . . 4.770 4.633 4.459 4.721 . 0 0 "[ . 1 . 2]" 1
1260 1 50 TYR H 1 51 TYR H . . 4.010 2.582 2.479 2.685 . 0 0 "[ . 1 . 2]" 1
1261 1 50 TYR H 1 53 LEU MD1 . . 5.500 5.137 4.956 5.285 . 0 0 "[ . 1 . 2]" 1
1262 1 50 TYR HA 1 50 TYR QD . . 3.180 2.727 2.656 2.819 . 0 0 "[ . 1 . 2]" 1
1263 1 50 TYR HA 1 50 TYR QE . . 4.560 4.471 4.439 4.513 . 0 0 "[ . 1 . 2]" 1
1264 1 50 TYR HA 1 52 LYS H . . 4.810 3.988 3.916 4.081 . 0 0 "[ . 1 . 2]" 1
1265 1 50 TYR HA 1 53 LEU H . . 4.260 3.049 2.961 3.128 . 0 0 "[ . 1 . 2]" 1
1266 1 50 TYR HA 1 53 LEU HB2 . . 4.510 3.780 3.625 4.000 . 0 0 "[ . 1 . 2]" 1
1267 1 50 TYR HA 1 53 LEU HB3 . . 3.910 2.180 2.049 2.355 . 0 0 "[ . 1 . 2]" 1
1268 1 50 TYR HA 1 53 LEU MD1 . . 3.810 2.580 2.443 2.728 . 0 0 "[ . 1 . 2]" 1
1269 1 50 TYR HB2 1 51 TYR H . . 3.610 2.402 2.315 2.514 . 0 0 "[ . 1 . 2]" 1
1270 1 50 TYR HB2 1 53 LEU MD1 . . 5.500 5.011 4.883 5.180 . 0 0 "[ . 1 . 2]" 1
1271 1 50 TYR HB3 1 51 TYR H . . 3.540 3.075 2.946 3.221 . 0 0 "[ . 1 . 2]" 1
1272 1 50 TYR HB3 1 53 LEU HB3 . . 5.500 4.597 4.448 4.790 . 0 0 "[ . 1 . 2]" 1
1273 1 50 TYR HB3 1 53 LEU MD1 . . 4.490 4.060 3.888 4.251 . 0 0 "[ . 1 . 2]" 1
1274 1 50 TYR QD 1 51 TYR H . . 4.530 4.261 4.220 4.297 . 0 0 "[ . 1 . 2]" 1
1275 1 50 TYR QD 1 53 LEU HB3 . . 5.320 4.230 4.136 4.348 . 0 0 "[ . 1 . 2]" 1
1276 1 50 TYR QD 1 53 LEU MD1 . . 4.880 3.933 3.838 4.065 . 0 0 "[ . 1 . 2]" 1
1277 1 50 TYR QD 1 54 LYS HG2 . . 5.500 4.730 4.382 5.030 . 0 0 "[ . 1 . 2]" 1
1278 1 50 TYR QE 1 54 LYS HD3 . . 5.030 4.420 4.059 4.834 . 0 0 "[ . 1 . 2]" 1
1279 1 51 TYR H 1 51 TYR HB2 . . 3.760 2.548 2.525 2.584 . 0 0 "[ . 1 . 2]" 1
1280 1 51 TYR H 1 51 TYR QB . . 3.260 2.267 2.258 2.281 . 0 0 "[ . 1 . 2]" 1
1281 1 51 TYR H 1 51 TYR HB3 . . 3.760 2.543 2.502 2.568 . 0 0 "[ . 1 . 2]" 1
1282 1 51 TYR H 1 51 TYR QD . . 4.380 4.205 4.198 4.215 . 0 0 "[ . 1 . 2]" 1
1283 1 51 TYR H 1 52 LYS H . . 3.720 2.858 2.794 2.931 . 0 0 "[ . 1 . 2]" 1
1284 1 51 TYR HA 1 51 TYR QD . . 3.530 2.661 2.573 2.746 . 0 0 "[ . 1 . 2]" 1
1285 1 51 TYR HA 1 51 TYR QE . . 4.680 4.647 4.606 4.679 . 0 0 "[ . 1 . 2]" 1
1286 1 51 TYR HA 1 54 LYS H . . 4.830 4.736 4.612 4.831 0.001 7 0 "[ . 1 . 2]" 1
1287 1 51 TYR HA 1 54 LYS HB2 . . 4.680 4.571 4.439 4.667 . 0 0 "[ . 1 . 2]" 1
1288 1 51 TYR HA 1 54 LYS HB3 . . 5.080 3.931 3.798 4.053 . 0 0 "[ . 1 . 2]" 1
1289 1 51 TYR HA 1 55 LEU H . . 4.510 4.055 3.800 4.174 . 0 0 "[ . 1 . 2]" 1
1290 1 51 TYR HA 1 55 LEU MD2 . . 5.500 4.750 4.575 5.011 . 0 0 "[ . 1 . 2]" 1
1291 1 51 TYR QB 1 52 LYS HG2 . . 4.600 3.387 3.308 3.498 . 0 0 "[ . 1 . 2]" 1
1292 1 51 TYR HB2 1 52 LYS H . . 4.150 4.048 3.996 4.085 . 0 0 "[ . 1 . 2]" 1
1293 1 51 TYR HB3 1 52 LYS H . . 4.150 2.824 2.749 2.877 . 0 0 "[ . 1 . 2]" 1
1294 1 51 TYR QD 1 52 LYS H . . 3.820 3.745 3.625 3.813 . 0 0 "[ . 1 . 2]" 1
1295 1 51 TYR QD 1 52 LYS HA . . 4.760 3.875 3.704 4.017 . 0 0 "[ . 1 . 2]" 1
1296 1 51 TYR QD 1 52 LYS HB2 . . 5.060 4.704 4.527 4.844 . 0 0 "[ . 1 . 2]" 1
1297 1 51 TYR QD 1 52 LYS HB3 . . 5.330 5.260 5.137 5.329 . 0 0 "[ . 1 . 2]" 1
1298 1 51 TYR QD 1 52 LYS HD2 . . 4.620 3.979 3.535 4.241 . 0 0 "[ . 1 . 2]" 1
1299 1 51 TYR QD 1 52 LYS HD3 . . 4.890 3.405 2.916 3.632 . 0 0 "[ . 1 . 2]" 1
1300 1 51 TYR QD 1 52 LYS HG2 . . 3.520 2.542 2.414 2.644 . 0 0 "[ . 1 . 2]" 1
1301 1 51 TYR QD 1 52 LYS HG3 . . 4.540 4.179 4.042 4.293 . 0 0 "[ . 1 . 2]" 1
1302 1 51 TYR QE 1 52 LYS HA . . 5.050 4.895 4.807 4.998 . 0 0 "[ . 1 . 2]" 1
1303 1 51 TYR QE 1 52 LYS HD2 . . 4.790 4.429 3.989 4.740 . 0 0 "[ . 1 . 2]" 1
1304 1 51 TYR QE 1 52 LYS QE . . 5.500 5.240 4.566 5.490 . 0 0 "[ . 1 . 2]" 1
1305 1 51 TYR QE 1 52 LYS HG2 . . 4.720 4.240 4.023 4.424 . 0 0 "[ . 1 . 2]" 1
1306 1 51 TYR QE 1 55 LEU MD1 . . 4.400 4.303 4.064 4.400 . 0 0 "[ . 1 . 2]" 1
1307 1 51 TYR QE 1 55 LEU MD2 . . 4.250 3.560 3.376 3.750 . 0 0 "[ . 1 . 2]" 1
1308 1 52 LYS H 1 52 LYS HB2 . . 3.110 2.318 2.288 2.351 . 0 0 "[ . 1 . 2]" 1
1309 1 52 LYS H 1 52 LYS HB3 . . 3.710 3.580 3.561 3.596 . 0 0 "[ . 1 . 2]" 1
1310 1 52 LYS H 1 52 LYS HD2 . . 5.000 4.330 4.176 4.391 . 0 0 "[ . 1 . 2]" 1
1311 1 52 LYS H 1 52 LYS HG2 . . 3.600 2.853 2.760 2.933 . 0 0 "[ . 1 . 2]" 1
1312 1 52 LYS H 1 52 LYS HG3 . . 4.000 3.920 3.829 3.981 . 0 0 "[ . 1 . 2]" 1
1313 1 52 LYS H 1 53 LEU H . . 3.760 2.289 2.256 2.343 . 0 0 "[ . 1 . 2]" 1
1314 1 52 LYS H 1 53 LEU MD1 . . 5.420 5.400 5.335 5.422 0.002 14 0 "[ . 1 . 2]" 1
1315 1 52 LYS H 1 54 LYS H . . 4.890 4.447 4.377 4.550 . 0 0 "[ . 1 . 2]" 1
1316 1 52 LYS HA 1 52 LYS HD2 . . 3.200 2.014 1.997 2.121 . 0 0 "[ . 1 . 2]" 1
1317 1 52 LYS HA 1 52 LYS HD3 . . 3.670 3.369 2.937 3.618 . 0 0 "[ . 1 . 2]" 1
1318 1 52 LYS HA 1 52 LYS QE . . 4.930 3.841 3.087 4.115 . 0 0 "[ . 1 . 2]" 1
1319 1 52 LYS HA 1 52 LYS HG2 . . 3.790 2.791 2.733 2.881 . 0 0 "[ . 1 . 2]" 1
1320 1 52 LYS HA 1 52 LYS HG3 . . 4.010 3.701 3.686 3.718 . 0 0 "[ . 1 . 2]" 1
1321 1 52 LYS HA 1 54 LYS H . . 5.500 5.473 5.397 5.504 0.004 1 0 "[ . 1 . 2]" 1
1322 1 52 LYS HA 1 55 LEU H . . 4.290 4.090 4.017 4.224 . 0 0 "[ . 1 . 2]" 1
1323 1 52 LYS HA 1 55 LEU HB2 . . 4.240 3.871 3.592 4.012 . 0 0 "[ . 1 . 2]" 1
1324 1 52 LYS HA 1 55 LEU HB3 . . 3.740 2.996 2.892 3.103 . 0 0 "[ . 1 . 2]" 1
1325 1 52 LYS HA 1 55 LEU MD2 . . 3.950 3.171 3.063 3.250 . 0 0 "[ . 1 . 2]" 1
1326 1 52 LYS HA 1 55 LEU HG . . 5.480 5.095 4.969 5.293 . 0 0 "[ . 1 . 2]" 1
1327 1 52 LYS HA 1 56 ALA H . . 5.060 4.305 4.068 4.517 . 0 0 "[ . 1 . 2]" 1
1328 1 52 LYS HB2 1 52 LYS QE . . 4.440 3.640 3.271 4.062 . 0 0 "[ . 1 . 2]" 1
1329 1 52 LYS HB2 1 53 LEU H . . 3.480 2.798 2.647 2.944 . 0 0 "[ . 1 . 2]" 1
1330 1 52 LYS HB3 1 52 LYS QE . . 3.460 2.613 1.971 3.395 . 0 0 "[ . 1 . 2]" 1
1331 1 52 LYS HB3 1 52 LYS HG3 . . 2.830 2.500 2.458 2.539 . 0 0 "[ . 1 . 2]" 1
1332 1 52 LYS HB3 1 53 LEU H . . 4.170 3.582 3.387 3.683 . 0 0 "[ . 1 . 2]" 1
1333 1 52 LYS HB3 1 53 LEU HA . . 4.300 4.276 4.184 4.301 0.001 2 0 "[ . 1 . 2]" 1
1334 1 52 LYS HD2 1 55 LEU MD2 . . 4.360 3.489 3.361 3.698 . 0 0 "[ . 1 . 2]" 1
1335 1 52 LYS HD3 1 52 LYS HG3 . . 2.850 2.609 2.471 2.798 . 0 0 "[ . 1 . 2]" 1
1336 1 52 LYS QE 1 52 LYS HG3 . . 3.860 2.190 1.981 2.943 . 0 0 "[ . 1 . 2]" 1
1337 1 52 LYS QE 1 55 LEU MD2 . . 5.020 4.910 4.223 5.019 . 0 0 "[ . 1 . 2]" 1
1338 1 52 LYS HG2 1 53 LEU H . . 5.200 4.580 4.487 4.666 . 0 0 "[ . 1 . 2]" 1
1339 1 52 LYS HG3 1 53 LEU H . . 5.500 5.077 4.970 5.195 . 0 0 "[ . 1 . 2]" 1
1340 1 53 LEU H 1 53 LEU HB2 . . 3.620 2.829 2.772 2.890 . 0 0 "[ . 1 . 2]" 1
1341 1 53 LEU H 1 53 LEU HB3 . . 3.130 2.281 2.257 2.294 . 0 0 "[ . 1 . 2]" 1
1342 1 53 LEU H 1 53 LEU MD1 . . 3.820 3.783 3.724 3.822 0.002 12 0 "[ . 1 . 2]" 1
1343 1 53 LEU H 1 53 LEU MD2 . . 4.310 4.087 4.065 4.106 . 0 0 "[ . 1 . 2]" 1
1344 1 53 LEU H 1 53 LEU HG . . 4.700 4.666 4.646 4.683 . 0 0 "[ . 1 . 2]" 1
1345 1 53 LEU H 1 54 LYS H . . 3.710 2.836 2.761 2.949 . 0 0 "[ . 1 . 2]" 1
1346 1 53 LEU H 1 55 LEU H . . 5.500 3.705 3.606 3.876 . 0 0 "[ . 1 . 2]" 1
1347 1 53 LEU H 1 55 LEU HB2 . . 5.340 5.303 5.199 5.340 . 0 0 "[ . 1 . 2]" 1
1348 1 53 LEU H 1 56 ALA H . . 4.790 4.568 4.481 4.674 . 0 0 "[ . 1 . 2]" 1
1349 1 53 LEU HA 1 53 LEU MD1 . . 3.840 3.624 3.577 3.667 . 0 0 "[ . 1 . 2]" 1
1350 1 53 LEU HA 1 53 LEU MD2 . . 2.970 1.990 1.965 2.036 . 0 0 "[ . 1 . 2]" 1
1351 1 53 LEU HA 1 53 LEU HG . . 3.830 3.679 3.650 3.704 . 0 0 "[ . 1 . 2]" 1
1352 1 53 LEU HA 1 55 LEU H . . 5.130 4.088 3.931 4.394 . 0 0 "[ . 1 . 2]" 1
1353 1 53 LEU HA 1 56 ALA H . . 4.260 3.336 3.211 3.479 . 0 0 "[ . 1 . 2]" 1
1354 1 53 LEU HA 1 56 ALA MB . . 3.080 2.812 2.726 2.905 . 0 0 "[ . 1 . 2]" 1
1355 1 53 LEU HA 1 57 GLU H . . 4.990 4.065 3.963 4.262 . 0 0 "[ . 1 . 2]" 1
1356 1 53 LEU HB2 1 53 LEU MD2 . . 3.130 2.612 2.578 2.648 . 0 0 "[ . 1 . 2]" 1
1357 1 53 LEU HB2 1 54 LYS H . . 3.940 3.637 3.613 3.670 . 0 0 "[ . 1 . 2]" 1
1358 1 53 LEU HB3 1 53 LEU MD1 . . 2.710 2.002 1.987 2.021 . 0 0 "[ . 1 . 2]" 1
1359 1 53 LEU HB3 1 54 LYS H . . 3.990 2.153 2.121 2.194 . 0 0 "[ . 1 . 2]" 1
1360 1 53 LEU HB3 1 55 LEU H . . 4.870 4.534 4.450 4.667 . 0 0 "[ . 1 . 2]" 1
1361 1 53 LEU MD1 1 54 LYS H . . 3.830 2.011 1.890 2.104 . 0 0 "[ . 1 . 2]" 1
1362 1 53 LEU MD1 1 54 LYS HA . . 3.500 2.093 2.051 2.142 . 0 0 "[ . 1 . 2]" 1
1363 1 53 LEU MD1 1 54 LYS HB2 . . 3.530 2.775 2.628 2.823 . 0 0 "[ . 1 . 2]" 1
1364 1 53 LEU MD1 1 54 LYS HB3 . . 3.950 3.930 3.817 3.955 0.005 10 0 "[ . 1 . 2]" 1
1365 1 53 LEU MD1 1 54 LYS HD2 . . 3.660 2.560 2.349 2.748 . 0 0 "[ . 1 . 2]" 1
1366 1 53 LEU MD1 1 54 LYS HD3 . . 3.600 3.402 3.262 3.549 . 0 0 "[ . 1 . 2]" 1
1367 1 53 LEU MD1 1 54 LYS QE . . 4.260 4.062 3.754 4.179 . 0 0 "[ . 1 . 2]" 1
1368 1 53 LEU MD1 1 54 LYS HG3 . . 4.100 3.987 3.924 4.091 . 0 0 "[ . 1 . 2]" 1
1369 1 53 LEU MD1 1 57 GLU HG2 . . 3.750 2.849 2.321 3.269 . 0 0 "[ . 1 . 2]" 1
1370 1 53 LEU MD1 1 57 GLU HG3 . . 4.800 4.161 3.609 4.496 . 0 0 "[ . 1 . 2]" 1
1371 1 53 LEU MD2 1 54 LYS H . . 4.530 3.312 3.208 3.403 . 0 0 "[ . 1 . 2]" 1
1372 1 53 LEU MD2 1 54 LYS HA . . 3.980 3.037 2.898 3.191 . 0 0 "[ . 1 . 2]" 1
1373 1 53 LEU MD2 1 56 ALA MB . . 3.160 2.849 2.700 3.001 . 0 0 "[ . 1 . 2]" 1
1374 1 53 LEU MD2 1 57 GLU H . . 4.320 2.836 2.625 3.026 . 0 0 "[ . 1 . 2]" 1
1375 1 53 LEU MD2 1 57 GLU HA . . 4.890 4.380 4.215 4.556 . 0 0 "[ . 1 . 2]" 1
1376 1 53 LEU MD2 1 57 GLU HB2 . . 4.200 3.980 3.805 4.184 . 0 0 "[ . 1 . 2]" 1
1377 1 53 LEU MD2 1 57 GLU HB3 . . 3.460 2.627 2.393 2.902 . 0 0 "[ . 1 . 2]" 1
1378 1 53 LEU MD2 1 57 GLU HG2 . . 4.580 2.469 1.985 2.876 . 0 0 "[ . 1 . 2]" 1
1379 1 53 LEU MD2 1 57 GLU HG3 . . 4.640 3.987 3.600 4.326 . 0 0 "[ . 1 . 2]" 1
1380 1 53 LEU MD2 1 58 MET H . . 4.890 4.628 4.483 4.763 . 0 0 "[ . 1 . 2]" 1
1381 1 54 LYS H 1 54 LYS HB2 . . 3.700 2.152 2.126 2.184 . 0 0 "[ . 1 . 2]" 1
1382 1 54 LYS H 1 54 LYS HB3 . . 3.740 3.034 2.978 3.105 . 0 0 "[ . 1 . 2]" 1
1383 1 54 LYS H 1 54 LYS HD2 . . 5.500 3.783 3.576 3.900 . 0 0 "[ . 1 . 2]" 1
1384 1 54 LYS H 1 54 LYS HD3 . . 5.500 4.225 4.084 4.407 . 0 0 "[ . 1 . 2]" 1
1385 1 54 LYS H 1 54 LYS HG3 . . 5.070 4.405 4.384 4.452 . 0 0 "[ . 1 . 2]" 1
1386 1 54 LYS H 1 55 LEU H . . 3.610 2.876 2.814 2.944 . 0 0 "[ . 1 . 2]" 1
1387 1 54 LYS H 1 55 LEU HB3 . . 5.500 5.174 5.090 5.346 . 0 0 "[ . 1 . 2]" 1
1388 1 54 LYS H 1 56 ALA H . . 5.390 4.437 4.315 4.515 . 0 0 "[ . 1 . 2]" 1
1389 1 54 LYS HA 1 54 LYS HD2 . . 3.640 2.341 2.187 2.473 . 0 0 "[ . 1 . 2]" 1
1390 1 54 LYS HA 1 54 LYS HD3 . . 3.860 3.643 3.546 3.731 . 0 0 "[ . 1 . 2]" 1
1391 1 54 LYS HA 1 54 LYS HE2 . . 5.320 4.500 4.032 4.788 . 0 0 "[ . 1 . 2]" 1
1392 1 54 LYS HA 1 54 LYS HE3 . . 5.320 3.988 3.550 4.590 . 0 0 "[ . 1 . 2]" 1
1393 1 54 LYS HA 1 54 LYS HG2 . . 3.930 3.632 3.617 3.658 . 0 0 "[ . 1 . 2]" 1
1394 1 54 LYS HA 1 54 LYS HG3 . . 3.480 2.468 2.417 2.560 . 0 0 "[ . 1 . 2]" 1
1395 1 54 LYS HA 1 56 ALA MB . . 5.500 5.068 4.858 5.173 . 0 0 "[ . 1 . 2]" 1
1396 1 54 LYS HA 1 57 GLU H . . 4.010 3.755 3.616 3.882 . 0 0 "[ . 1 . 2]" 1
1397 1 54 LYS HA 1 57 GLU HB3 . . 4.270 4.206 4.005 4.271 0.001 14 0 "[ . 1 . 2]" 1
1398 1 54 LYS HA 1 57 GLU HG2 . . 4.750 2.021 1.999 2.091 . 0 0 "[ . 1 . 2]" 1
1399 1 54 LYS HA 1 57 GLU HG3 . . 3.720 2.996 2.489 3.461 . 0 0 "[ . 1 . 2]" 1
1400 1 54 LYS HA 1 58 MET H . . 4.630 3.889 3.719 4.086 . 0 0 "[ . 1 . 2]" 1
1401 1 54 LYS HA 1 58 MET QG . . 4.440 3.424 3.216 3.546 . 0 0 "[ . 1 . 2]" 1
1402 1 54 LYS HB2 1 54 LYS HD2 . . 3.100 2.685 2.616 2.786 . 0 0 "[ . 1 . 2]" 1
1403 1 54 LYS HB2 1 55 LEU H . . 3.750 3.660 3.564 3.746 . 0 0 "[ . 1 . 2]" 1
1404 1 54 LYS HB3 1 54 LYS HD2 . . 4.030 3.714 3.649 3.775 . 0 0 "[ . 1 . 2]" 1
1405 1 54 LYS HB3 1 54 LYS HD3 . . 3.800 3.597 3.522 3.709 . 0 0 "[ . 1 . 2]" 1
1406 1 54 LYS HB3 1 55 LEU H . . 4.140 2.856 2.578 2.986 . 0 0 "[ . 1 . 2]" 1
1407 1 54 LYS HD2 1 58 MET QG . . 4.410 4.265 3.990 4.409 . 0 0 "[ . 1 . 2]" 1
1408 1 54 LYS HD3 1 58 MET QG . . 5.500 5.034 4.703 5.160 . 0 0 "[ . 1 . 2]" 1
1409 1 54 LYS QE 1 54 LYS HG2 . . 3.390 2.464 2.364 2.632 . 0 0 "[ . 1 . 2]" 1
1410 1 54 LYS QE 1 54 LYS HG3 . . 3.320 2.356 2.205 2.618 . 0 0 "[ . 1 . 2]" 1
1411 1 54 LYS QE 1 58 MET ME . . 4.750 4.467 4.178 4.745 . 0 0 "[ . 1 . 2]" 1
1412 1 54 LYS QE 1 58 MET QG . . 3.760 3.496 3.171 3.672 . 0 0 "[ . 1 . 2]" 1
1413 1 54 LYS HE2 1 54 LYS HG2 . . 3.870 2.580 2.404 3.634 . 0 0 "[ . 1 . 2]" 1
1414 1 54 LYS HE2 1 54 LYS HG3 . . 4.080 2.657 2.239 3.699 . 0 0 "[ . 1 . 2]" 1
1415 1 54 LYS HE3 1 54 LYS HG2 . . 3.870 3.440 2.491 3.803 . 0 0 "[ . 1 . 2]" 1
1416 1 54 LYS HE3 1 54 LYS HG3 . . 4.080 2.837 2.432 3.490 . 0 0 "[ . 1 . 2]" 1
1417 1 54 LYS HG2 1 58 MET ME . . 5.500 4.734 4.094 5.335 . 0 0 "[ . 1 . 2]" 1
1418 1 54 LYS HG2 1 58 MET QG . . 3.920 3.577 3.213 3.850 . 0 0 "[ . 1 . 2]" 1
1419 1 54 LYS HG3 1 57 GLU HG2 . . 4.880 3.849 3.614 4.097 . 0 0 "[ . 1 . 2]" 1
1420 1 54 LYS HG3 1 57 GLU HG3 . . 4.680 3.709 3.355 4.073 . 0 0 "[ . 1 . 2]" 1
1421 1 54 LYS HG3 1 58 MET QG . . 3.820 2.405 2.096 2.561 . 0 0 "[ . 1 . 2]" 1
1422 1 55 LEU H 1 55 LEU HB2 . . 3.630 2.515 2.352 2.592 . 0 0 "[ . 1 . 2]" 1
1423 1 55 LEU H 1 55 LEU HB3 . . 3.120 2.524 2.466 2.670 . 0 0 "[ . 1 . 2]" 1
1424 1 55 LEU H 1 55 LEU MD1 . . 4.110 4.016 3.911 4.074 . 0 0 "[ . 1 . 2]" 1
1425 1 55 LEU H 1 55 LEU MD2 . . 4.240 4.243 4.236 4.252 0.012 7 0 "[ . 1 . 2]" 1
1426 1 55 LEU H 1 55 LEU HG . . 4.690 4.489 4.457 4.536 . 0 0 "[ . 1 . 2]" 1
1427 1 55 LEU H 1 56 ALA H . . 3.630 2.588 2.499 2.730 . 0 0 "[ . 1 . 2]" 1
1428 1 55 LEU H 1 56 ALA MB . . 4.580 4.263 4.184 4.388 . 0 0 "[ . 1 . 2]" 1
1429 1 55 LEU H 1 57 GLU H . . 4.680 4.247 4.036 4.565 . 0 0 "[ . 1 . 2]" 1
1430 1 55 LEU HA 1 55 LEU MD1 . . 3.130 2.104 1.974 2.240 . 0 0 "[ . 1 . 2]" 1
1431 1 55 LEU HA 1 55 LEU MD2 . . 4.040 3.885 3.857 3.902 . 0 0 "[ . 1 . 2]" 1
1432 1 55 LEU HA 1 55 LEU HG . . 3.510 3.078 2.926 3.164 . 0 0 "[ . 1 . 2]" 1
1433 1 55 LEU HA 1 56 ALA MB . . 5.500 5.033 5.025 5.039 . 0 0 "[ . 1 . 2]" 1
1434 1 55 LEU HA 1 57 GLU H . . 5.090 4.721 4.374 4.945 . 0 0 "[ . 1 . 2]" 1
1435 1 55 LEU HA 1 58 MET H . . 3.700 3.560 3.365 3.661 . 0 0 "[ . 1 . 2]" 1
1436 1 55 LEU HA 1 58 MET QB . . 3.890 2.462 2.344 2.581 . 0 0 "[ . 1 . 2]" 1
1437 1 55 LEU HA 1 58 MET ME . . 5.040 4.843 4.661 5.037 . 0 0 "[ . 1 . 2]" 1
1438 1 55 LEU HA 1 58 MET QG . . 4.940 3.593 3.438 3.948 . 0 0 "[ . 1 . 2]" 1
1439 1 55 LEU HA 1 59 GLN H . . 4.910 3.870 3.686 4.013 . 0 0 "[ . 1 . 2]" 1
1440 1 55 LEU HA 1 59 GLN HG2 . . 5.500 4.994 4.563 5.291 . 0 0 "[ . 1 . 2]" 1
1441 1 55 LEU HB2 1 55 LEU MD1 . . 3.620 2.286 2.204 2.361 . 0 0 "[ . 1 . 2]" 1
1442 1 55 LEU HB2 1 55 LEU MD2 . . 3.410 2.455 2.413 2.506 . 0 0 "[ . 1 . 2]" 1
1443 1 55 LEU HB2 1 56 ALA H . . 3.830 3.806 3.742 3.831 0.001 6 0 "[ . 1 . 2]" 1
1444 1 55 LEU HB3 1 55 LEU MD2 . . 3.290 2.236 2.171 2.284 . 0 0 "[ . 1 . 2]" 1
1445 1 55 LEU HB3 1 56 ALA H . . 3.220 2.519 2.442 2.615 . 0 0 "[ . 1 . 2]" 1
1446 1 55 LEU HB3 1 56 ALA HA . . 4.740 4.189 4.081 4.230 . 0 0 "[ . 1 . 2]" 1
1447 1 55 LEU MD1 1 56 ALA HA . . 5.500 4.937 4.716 5.271 . 0 0 "[ . 1 . 2]" 1
1448 1 55 LEU MD1 1 58 MET QB . . 3.740 3.423 3.195 3.539 . 0 0 "[ . 1 . 2]" 1
1449 1 55 LEU MD1 1 59 GLN H . . 4.340 4.245 4.050 4.345 0.005 12 0 "[ . 1 . 2]" 1
1450 1 55 LEU MD1 1 59 GLN HB2 . . 4.570 4.250 3.964 4.565 . 0 0 "[ . 1 . 2]" 1
1451 1 55 LEU MD1 1 59 GLN HE21 . . 4.530 2.933 2.386 3.574 . 0 0 "[ . 1 . 2]" 1
1452 1 55 LEU MD1 1 59 GLN HE22 . . 4.530 4.172 3.828 4.531 0.001 7 0 "[ . 1 . 2]" 1
1453 1 55 LEU MD1 1 59 GLN HG2 . . 4.140 3.201 2.909 3.485 . 0 0 "[ . 1 . 2]" 1
1454 1 55 LEU MD1 1 59 GLN HG3 . . 3.920 2.426 2.101 2.976 . 0 0 "[ . 1 . 2]" 1
1455 1 55 LEU MD2 1 56 ALA H . . 4.540 4.233 4.137 4.427 . 0 0 "[ . 1 . 2]" 1
1456 1 55 LEU MD2 1 56 ALA HA . . 5.200 4.761 4.680 4.933 . 0 0 "[ . 1 . 2]" 1
1457 1 55 LEU MD2 1 59 GLN QE . . 4.440 2.701 2.356 2.947 . 0 0 "[ . 1 . 2]" 1
1458 1 55 LEU HG 1 56 ALA H . . 4.440 3.860 3.670 4.136 . 0 0 "[ . 1 . 2]" 1
1459 1 55 LEU HG 1 56 ALA HA . . 4.970 3.846 3.681 4.164 . 0 0 "[ . 1 . 2]" 1
1460 1 55 LEU HG 1 59 GLN QE . . 5.340 2.373 1.907 2.706 . 0 0 "[ . 1 . 2]" 1
1461 1 55 LEU HG 1 59 GLN HG3 . . 4.800 2.368 2.041 2.628 . 0 0 "[ . 1 . 2]" 1
1462 1 56 ALA H 1 56 ALA MB . . 2.950 2.232 2.221 2.240 . 0 0 "[ . 1 . 2]" 1
1463 1 56 ALA H 1 57 GLU H . . 3.640 2.767 2.675 2.916 . 0 0 "[ . 1 . 2]" 1
1464 1 56 ALA H 1 57 GLU HB3 . . 5.440 5.189 5.004 5.355 . 0 0 "[ . 1 . 2]" 1
1465 1 56 ALA H 1 57 GLU HG2 . . 5.270 4.174 3.931 4.459 . 0 0 "[ . 1 . 2]" 1
1466 1 56 ALA H 1 58 MET QB . . 5.500 4.786 4.586 4.953 . 0 0 "[ . 1 . 2]" 1
1467 1 56 ALA H 1 59 GLN HB2 . . 5.500 4.741 4.601 4.826 . 0 0 "[ . 1 . 2]" 1
1468 1 56 ALA HA 1 58 MET H . . 4.770 4.395 4.081 4.675 . 0 0 "[ . 1 . 2]" 1
1469 1 56 ALA HA 1 59 GLN H . . 4.150 3.529 3.333 3.691 . 0 0 "[ . 1 . 2]" 1
1470 1 56 ALA HA 1 59 GLN HB2 . . 3.500 2.659 2.542 2.756 . 0 0 "[ . 1 . 2]" 1
1471 1 56 ALA HA 1 59 GLN QE . . 5.160 4.335 3.540 5.099 . 0 0 "[ . 1 . 2]" 1
1472 1 56 ALA HA 1 59 GLN HG2 . . 5.500 5.273 4.964 5.367 . 0 0 "[ . 1 . 2]" 1
1473 1 56 ALA HA 1 59 GLN HG3 . . 4.050 3.895 3.453 4.050 . 0 0 "[ . 1 . 2]" 1
1474 1 56 ALA MB 1 57 GLU H . . 3.430 2.346 2.171 2.555 . 0 0 "[ . 1 . 2]" 1
1475 1 56 ALA MB 1 57 GLU HA . . 4.450 3.796 3.755 3.857 . 0 0 "[ . 1 . 2]" 1
1476 1 56 ALA MB 1 57 GLU HB3 . . 4.740 3.866 3.768 3.980 . 0 0 "[ . 1 . 2]" 1
1477 1 56 ALA MB 1 57 GLU HG2 . . 4.780 4.117 3.802 4.461 . 0 0 "[ . 1 . 2]" 1
1478 1 56 ALA MB 1 58 MET H . . 4.560 4.341 4.125 4.524 . 0 0 "[ . 1 . 2]" 1
1479 1 56 ALA MB 1 59 GLN H . . 5.220 4.557 4.444 4.655 . 0 0 "[ . 1 . 2]" 1
1480 1 56 ALA MB 1 59 GLN HB2 . . 4.710 4.233 4.128 4.336 . 0 0 "[ . 1 . 2]" 1
1481 1 56 ALA MB 1 59 GLN HB3 . . 5.470 5.386 5.203 5.472 0.002 12 0 "[ . 1 . 2]" 1
1482 1 57 GLU H 1 57 GLU HB2 . . 3.970 3.592 3.579 3.616 . 0 0 "[ . 1 . 2]" 1
1483 1 57 GLU H 1 57 GLU HB3 . . 3.350 2.535 2.399 2.689 . 0 0 "[ . 1 . 2]" 1
1484 1 57 GLU H 1 57 GLU HG2 . . 4.160 2.247 1.988 2.483 . 0 0 "[ . 1 . 2]" 1
1485 1 57 GLU H 1 57 GLU HG3 . . 4.160 3.155 2.784 3.498 . 0 0 "[ . 1 . 2]" 1
1486 1 57 GLU H 1 58 MET H . . 3.400 2.598 2.438 2.694 . 0 0 "[ . 1 . 2]" 1
1487 1 57 GLU H 1 58 MET QG . . 4.720 4.538 4.279 4.705 . 0 0 "[ . 1 . 2]" 1
1488 1 57 GLU HA 1 57 GLU HB2 . . 2.950 2.430 2.354 2.509 . 0 0 "[ . 1 . 2]" 1
1489 1 57 GLU HA 1 57 GLU HB3 . . 3.000 2.466 2.390 2.551 . 0 0 "[ . 1 . 2]" 1
1490 1 57 GLU HA 1 57 GLU HG2 . . 3.950 3.830 3.745 3.957 0.007 8 0 "[ . 1 . 2]" 1
1491 1 57 GLU HA 1 57 GLU HG3 . . 3.750 3.672 3.598 3.751 0.001 2 0 "[ . 1 . 2]" 1
1492 1 57 GLU HA 1 58 MET HA . . 4.770 4.730 4.687 4.770 . 0 0 "[ . 1 . 2]" 1
1493 1 57 GLU HA 1 60 ARG H . . 4.480 3.647 3.414 3.758 . 0 0 "[ . 1 . 2]" 1
1494 1 57 GLU HA 1 60 ARG QB . . 3.730 3.623 3.266 3.733 0.003 3 0 "[ . 1 . 2]" 1
1495 1 57 GLU HA 1 60 ARG QD . . 3.930 2.561 2.012 3.646 . 0 0 "[ . 1 . 2]" 1
1496 1 57 GLU HA 1 60 ARG HG2 . . 4.440 2.134 2.003 2.523 . 0 0 "[ . 1 . 2]" 1
1497 1 57 GLU HA 1 60 ARG QG . . 3.580 2.120 1.993 2.504 . 0 0 "[ . 1 . 2]" 1
1498 1 57 GLU HA 1 60 ARG HG3 . . 4.440 3.667 3.235 4.204 . 0 0 "[ . 1 . 2]" 1
1499 1 57 GLU HB3 1 58 MET H . . 4.260 3.943 3.776 4.101 . 0 0 "[ . 1 . 2]" 1
1500 1 57 GLU HG2 1 58 MET H . . 4.540 2.785 2.286 3.312 . 0 0 "[ . 1 . 2]" 1
1501 1 57 GLU HG2 1 58 MET HA . . 5.280 4.876 4.439 5.267 . 0 0 "[ . 1 . 2]" 1
1502 1 57 GLU HG3 1 58 MET H . . 3.340 2.212 1.960 2.490 . 0 0 "[ . 1 . 2]" 1
1503 1 57 GLU HG3 1 58 MET HA . . 3.640 3.336 3.051 3.600 . 0 0 "[ . 1 . 2]" 1
1504 1 58 MET H 1 58 MET QB . . 3.060 2.284 2.226 2.337 . 0 0 "[ . 1 . 2]" 1
1505 1 58 MET H 1 58 MET ME . . 5.500 4.913 4.821 5.007 . 0 0 "[ . 1 . 2]" 1
1506 1 58 MET H 1 58 MET QG . . 3.450 2.616 2.451 2.884 . 0 0 "[ . 1 . 2]" 1
1507 1 58 MET H 1 59 GLN H . . 3.220 2.483 2.355 2.613 . 0 0 "[ . 1 . 2]" 1
1508 1 58 MET HA 1 58 MET ME . . 3.940 3.714 3.294 3.919 . 0 0 "[ . 1 . 2]" 1
1509 1 58 MET HA 1 58 MET QG . . 3.450 2.556 2.173 2.677 . 0 0 "[ . 1 . 2]" 1
1510 1 58 MET HA 1 61 SER QB . . 4.380 2.988 2.371 3.565 . 0 0 "[ . 1 . 2]" 1
1511 1 58 MET QB 1 59 GLN H . . 4.220 2.782 2.638 2.987 . 0 0 "[ . 1 . 2]" 1
1512 1 58 MET ME 1 58 MET QG . . 3.380 2.302 2.214 2.386 . 0 0 "[ . 1 . 2]" 1
1513 1 58 MET QG 1 59 GLN H . . 4.380 4.276 4.200 4.345 . 0 0 "[ . 1 . 2]" 1
1514 1 58 MET QG 1 61 SER QB . . 5.250 4.888 4.087 5.248 . 0 0 "[ . 1 . 2]" 1
1515 1 59 GLN H 1 59 GLN HB2 . . 3.090 2.184 2.156 2.225 . 0 0 "[ . 1 . 2]" 1
1516 1 59 GLN H 1 59 GLN HB3 . . 3.590 3.487 3.459 3.515 . 0 0 "[ . 1 . 2]" 1
1517 1 59 GLN H 1 59 GLN HG2 . . 3.870 3.609 3.344 3.826 . 0 0 "[ . 1 . 2]" 1
1518 1 59 GLN H 1 59 GLN HG3 . . 3.570 3.179 2.998 3.335 . 0 0 "[ . 1 . 2]" 1
1519 1 59 GLN H 1 60 ARG H . . 3.320 2.568 2.397 2.704 . 0 0 "[ . 1 . 2]" 1
1520 1 59 GLN HA 1 59 GLN HG2 . . 3.490 2.134 2.104 2.175 . 0 0 "[ . 1 . 2]" 1
1521 1 59 GLN HA 1 59 GLN HG3 . . 3.960 3.241 3.129 3.440 . 0 0 "[ . 1 . 2]" 1
1522 1 59 GLN HB2 1 60 ARG H . . 4.410 2.744 2.587 3.007 . 0 0 "[ . 1 . 2]" 1
1523 1 59 GLN HB3 1 59 GLN HE22 . . 5.400 4.195 4.010 4.430 . 0 0 "[ . 1 . 2]" 1
1524 1 59 GLN HB3 1 60 ARG H . . 3.560 3.206 2.947 3.422 . 0 0 "[ . 1 . 2]" 1
1525 1 59 GLN HG2 1 60 ARG H . . 5.000 4.878 4.794 4.997 . 0 0 "[ . 1 . 2]" 1
1526 1 59 GLN HG3 1 60 ARG H . . 5.400 4.785 4.657 4.944 . 0 0 "[ . 1 . 2]" 1
1527 1 60 ARG H 1 60 ARG QB . . 3.150 2.337 2.221 2.525 . 0 0 "[ . 1 . 2]" 1
1528 1 60 ARG H 1 60 ARG QD . . 5.060 3.960 3.627 4.217 . 0 0 "[ . 1 . 2]" 1
1529 1 60 ARG H 1 60 ARG HG2 . . 4.010 2.499 2.131 2.799 . 0 0 "[ . 1 . 2]" 1
1530 1 60 ARG H 1 60 ARG QG . . 3.390 2.448 2.096 2.736 . 0 0 "[ . 1 . 2]" 1
1531 1 60 ARG H 1 60 ARG HG3 . . 4.010 3.529 3.070 3.858 . 0 0 "[ . 1 . 2]" 1
1532 1 60 ARG H 1 61 SER H . . 4.360 2.629 2.414 2.777 . 0 0 "[ . 1 . 2]" 1
1533 1 60 ARG H 1 61 SER QB . . 5.180 4.472 4.125 4.811 . 0 0 "[ . 1 . 2]" 1
1534 1 60 ARG HA 1 60 ARG QD . . 4.490 4.260 4.170 4.414 . 0 0 "[ . 1 . 2]" 1
1535 1 60 ARG HA 1 60 ARG HG2 . . 3.910 3.841 3.735 3.948 0.038 3 0 "[ . 1 . 2]" 1
1536 1 60 ARG HA 1 60 ARG QG . . 3.430 3.316 3.253 3.344 . 0 0 "[ . 1 . 2]" 1
1537 1 60 ARG HA 1 60 ARG HG3 . . 3.910 3.629 3.518 3.766 . 0 0 "[ . 1 . 2]" 1
1538 1 60 ARG QB 1 60 ARG QD . . 3.320 2.112 2.059 2.221 . 0 0 "[ . 1 . 2]" 1
1539 1 60 ARG QB 1 60 ARG QG . . 2.340 2.083 2.066 2.087 . 0 0 "[ . 1 . 2]" 1
1540 1 60 ARG QB 1 61 SER H . . 4.240 3.474 3.305 3.747 . 0 0 "[ . 1 . 2]" 1
1541 1 60 ARG QB 1 61 SER HA . . 4.780 4.540 4.319 4.668 . 0 0 "[ . 1 . 2]" 1
1542 1 60 ARG QG 1 61 SER HA . . 4.870 3.163 2.863 3.514 . 0 0 "[ . 1 . 2]" 1
1543 1 61 SER QB 1 62 GLY H . . 4.560 3.135 2.176 3.897 . 0 0 "[ . 1 . 2]" 1
1544 1 62 GLY QA 1 63 PRO HD2 . . 3.370 2.102 1.965 2.291 . 0 0 "[ . 1 . 2]" 1
1545 1 62 GLY QA 1 63 PRO QD . . 2.840 1.975 1.897 2.157 . 0 0 "[ . 1 . 2]" 1
1546 1 62 GLY QA 1 63 PRO HD3 . . 3.370 2.457 2.238 3.009 . 0 0 "[ . 1 . 2]" 1
1547 1 62 GLY QA 1 63 PRO QG . . 4.610 3.702 3.656 3.897 . 0 0 "[ . 1 . 2]" 1
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