NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452142 |
2rqe   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqe
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 1832
_Distance_constraint_stats_list.Viol_count 1313
_Distance_constraint_stats_list.Viol_total 489.873
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0187
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 TYR 0.202 0.092 18 0 "[ . 1 . 2]"
1 6 GLU 0.171 0.092 18 0 "[ . 1 . 2]"
1 7 ALA 0.067 0.018 18 0 "[ . 1 . 2]"
1 8 PRO 0.162 0.026 20 0 "[ . 1 . 2]"
1 9 PRO 0.341 0.038 17 0 "[ . 1 . 2]"
1 10 ALA 0.668 0.043 11 0 "[ . 1 . 2]"
1 11 THR 0.319 0.031 12 0 "[ . 1 . 2]"
1 12 LEU 0.238 0.033 11 0 "[ . 1 . 2]"
1 13 GLU 0.788 0.044 8 0 "[ . 1 . 2]"
1 14 ALA 3.832 0.109 18 0 "[ . 1 . 2]"
1 15 ILE 2.252 0.089 5 0 "[ . 1 . 2]"
1 16 HIS 0.292 0.043 18 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.696 0.072 16 0 "[ . 1 . 2]"
1 19 GLY 2.533 0.089 5 0 "[ . 1 . 2]"
1 20 LEU 4.479 0.109 3 0 "[ . 1 . 2]"
1 21 ARG 0.081 0.031 12 0 "[ . 1 . 2]"
1 22 VAL 1.060 0.053 2 0 "[ . 1 . 2]"
1 23 SER 0.914 0.053 2 0 "[ . 1 . 2]"
1 24 VAL 0.621 0.049 5 0 "[ . 1 . 2]"
1 25 PRO 0.612 0.049 5 0 "[ . 1 . 2]"
1 26 ASP 0.324 0.033 15 0 "[ . 1 . 2]"
1 27 GLU 0.154 0.084 14 0 "[ . 1 . 2]"
1 28 GLY 0.021 0.021 14 0 "[ . 1 . 2]"
1 29 PHE 0.252 0.084 14 0 "[ . 1 . 2]"
1 30 SER 0.471 0.045 18 0 "[ . 1 . 2]"
1 31 LEU 1.122 0.050 19 0 "[ . 1 . 2]"
1 32 PHE 0.460 0.026 11 0 "[ . 1 . 2]"
1 33 ALA 0.334 0.038 3 0 "[ . 1 . 2]"
1 34 PHE 0.424 0.043 13 0 "[ . 1 . 2]"
1 35 HIS 0.325 0.046 5 0 "[ . 1 . 2]"
1 36 GLY 0.067 0.021 20 0 "[ . 1 . 2]"
1 37 LYS 0.114 0.025 17 0 "[ . 1 . 2]"
1 38 LEU 0.453 0.076 6 0 "[ . 1 . 2]"
1 39 ASN 0.323 0.076 6 0 "[ . 1 . 2]"
1 40 GLU 0.027 0.007 20 0 "[ . 1 . 2]"
1 41 GLU 0.014 0.005 16 0 "[ . 1 . 2]"
1 42 MET 0.681 0.113 17 0 "[ . 1 . 2]"
1 43 GLU 0.179 0.038 14 0 "[ . 1 . 2]"
1 44 GLY 0.103 0.038 14 0 "[ . 1 . 2]"
1 45 LEU 0.284 0.080 14 0 "[ . 1 . 2]"
1 46 GLU 0.300 0.041 17 0 "[ . 1 . 2]"
1 47 ALA 0.171 0.053 17 0 "[ . 1 . 2]"
1 48 GLY 0.042 0.010 3 0 "[ . 1 . 2]"
1 49 HIS 0.168 0.030 20 0 "[ . 1 . 2]"
1 50 TRP 0.152 0.035 3 0 "[ . 1 . 2]"
1 51 SER 0.099 0.035 3 0 "[ . 1 . 2]"
1 52 ARG 0.536 0.074 7 0 "[ . 1 . 2]"
1 53 ASP 0.604 0.042 7 0 "[ . 1 . 2]"
1 54 ILE 0.159 0.020 15 0 "[ . 1 . 2]"
1 55 THR 0.081 0.014 14 0 "[ . 1 . 2]"
1 56 LYS 0.158 0.027 20 0 "[ . 1 . 2]"
1 57 PRO 0.102 0.027 20 0 "[ . 1 . 2]"
1 58 LYS 0.018 0.007 5 0 "[ . 1 . 2]"
1 59 ASN 0.027 0.013 4 0 "[ . 1 . 2]"
1 60 GLY 0.020 0.013 4 0 "[ . 1 . 2]"
1 61 ARG 0.244 0.031 20 0 "[ . 1 . 2]"
1 62 TRP 0.160 0.022 8 0 "[ . 1 . 2]"
1 63 ILE 0.063 0.010 13 0 "[ . 1 . 2]"
1 64 PHE 0.089 0.018 5 0 "[ . 1 . 2]"
1 65 ARG 0.135 0.032 15 0 "[ . 1 . 2]"
1 66 ASP 0.466 0.042 16 0 "[ . 1 . 2]"
1 67 ARG 0.446 0.049 5 0 "[ . 1 . 2]"
1 68 ASN 0.379 0.068 15 0 "[ . 1 . 2]"
1 69 ALA 1.034 0.068 16 0 "[ . 1 . 2]"
1 70 ALA 0.931 0.072 16 0 "[ . 1 . 2]"
1 71 LEU 0.857 0.068 9 0 "[ . 1 . 2]"
1 72 LYS 0.992 0.090 6 0 "[ . 1 . 2]"
1 73 ILE 1.773 0.090 6 0 "[ . 1 . 2]"
1 74 GLY 0.043 0.018 19 0 "[ . 1 . 2]"
1 75 ASP 0.382 0.045 14 0 "[ . 1 . 2]"
1 76 LYS 0.118 0.022 14 0 "[ . 1 . 2]"
1 77 ILE 0.316 0.030 13 0 "[ . 1 . 2]"
1 78 TYR 0.896 0.064 3 0 "[ . 1 . 2]"
1 79 PHE 0.731 0.064 3 0 "[ . 1 . 2]"
1 80 TRP 0.927 0.113 17 0 "[ . 1 . 2]"
1 81 THR 0.445 0.030 18 0 "[ . 1 . 2]"
1 82 PHE 0.107 0.013 20 0 "[ . 1 . 2]"
1 83 VAL 0.145 0.018 17 0 "[ . 1 . 2]"
1 84 ILE 0.751 0.067 3 0 "[ . 1 . 2]"
1 85 LYS 1.137 0.067 3 0 "[ . 1 . 2]"
1 86 ASP 0.012 0.008 19 0 "[ . 1 . 2]"
1 87 GLY 0.003 0.003 7 0 "[ . 1 . 2]"
1 88 LEU 0.038 0.008 17 0 "[ . 1 . 2]"
1 89 GLY 0.048 0.018 4 0 "[ . 1 . 2]"
1 90 TYR 0.067 0.018 18 0 "[ . 1 . 2]"
1 91 ARG 0.025 0.015 11 0 "[ . 1 . 2]"
1 92 GLN 0.121 0.022 11 0 "[ . 1 . 2]"
1 93 ASP 0.295 0.117 11 0 "[ . 1 . 2]"
1 94 ASN 0.083 0.083 11 0 "[ . 1 . 2]"
1 95 GLY 0.076 0.022 11 0 "[ . 1 . 2]"
1 96 GLU 0.028 0.012 19 0 "[ . 1 . 2]"
1 97 TRP 0.020 0.007 3 0 "[ . 1 . 2]"
1 98 THR 0.056 0.018 19 0 "[ . 1 . 2]"
1 99 VAL 0.474 0.038 19 0 "[ . 1 . 2]"
1 100 GLU 0.004 0.004 14 0 "[ . 1 . 2]"
1 101 GLY 0.366 0.079 14 0 "[ . 1 . 2]"
1 102 PHE 1.929 0.142 8 0 "[ . 1 . 2]"
1 103 VAL 0.477 0.058 18 0 "[ . 1 . 2]"
1 104 ASP 0.086 0.022 18 0 "[ . 1 . 2]"
1 105 GLU 0.040 0.013 19 0 "[ . 1 . 2]"
1 106 ALA 0.017 0.009 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 TYR H 1 5 TYR HB2 . . 3.230 2.962 2.758 3.203 . 0 0 "[ . 1 . 2]" 1
2 1 5 TYR H 1 5 TYR HB3 . . 3.230 3.045 2.674 3.228 . 0 0 "[ . 1 . 2]" 1
3 1 5 TYR H 1 6 GLU QG . . 3.870 3.717 3.481 3.871 0.001 13 0 "[ . 1 . 2]" 1
4 1 5 TYR HA 1 5 TYR QD . . 3.810 2.886 2.156 3.082 . 0 0 "[ . 1 . 2]" 1
5 1 5 TYR HA 1 5 TYR QE . . 4.690 4.512 4.332 4.721 0.031 18 0 "[ . 1 . 2]" 1
6 1 5 TYR HA 1 6 GLU H . . 2.470 2.197 2.140 2.269 . 0 0 "[ . 1 . 2]" 1
7 1 5 TYR HA 1 6 GLU QG . . 4.500 3.885 3.578 4.183 . 0 0 "[ . 1 . 2]" 1
8 1 5 TYR QB 1 6 GLU H . . 3.730 3.538 3.321 3.808 0.078 18 0 "[ . 1 . 2]" 1
9 1 5 TYR HB2 1 6 GLU H . . 4.390 4.270 4.094 4.387 . 0 0 "[ . 1 . 2]" 1
10 1 5 TYR HB3 1 6 GLU H . . 4.390 3.792 3.483 4.482 0.092 18 0 "[ . 1 . 2]" 1
11 1 5 TYR QD 1 6 GLU H . . 3.780 2.615 2.061 3.147 . 0 0 "[ . 1 . 2]" 1
12 1 5 TYR QD 1 6 GLU HA . . 4.660 3.567 3.049 4.504 . 0 0 "[ . 1 . 2]" 1
13 1 5 TYR QE 1 6 GLU H . . 4.220 4.022 3.716 4.197 . 0 0 "[ . 1 . 2]" 1
14 1 5 TYR QE 1 7 ALA H . . 4.340 3.453 2.023 4.185 . 0 0 "[ . 1 . 2]" 1
15 1 5 TYR QE 1 7 ALA HA . . 4.140 3.373 2.442 4.097 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLU H 1 6 GLU QB . . 3.110 2.709 2.555 2.957 . 0 0 "[ . 1 . 2]" 1
17 1 6 GLU H 1 6 GLU QG . . 3.450 3.268 3.093 3.437 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLU H 1 7 ALA H . . 3.930 3.342 2.929 3.680 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLU H 1 7 ALA HA . . 5.420 5.008 4.041 5.303 . 0 0 "[ . 1 . 2]" 1
20 1 6 GLU H 1 7 ALA MB . . 4.940 4.697 4.482 4.844 . 0 0 "[ . 1 . 2]" 1
21 1 6 GLU HA 1 6 GLU QG . . 3.520 2.444 2.311 2.756 . 0 0 "[ . 1 . 2]" 1
22 1 6 GLU HA 1 7 ALA H . . 2.520 2.373 2.238 2.470 . 0 0 "[ . 1 . 2]" 1
23 1 6 GLU HA 1 7 ALA MB . . 4.330 3.807 3.708 4.074 . 0 0 "[ . 1 . 2]" 1
24 1 6 GLU HA 1 90 TYR QD . . 4.440 2.614 2.126 4.301 . 0 0 "[ . 1 . 2]" 1
25 1 6 GLU QB 1 7 ALA H . . 3.970 3.848 3.741 3.897 . 0 0 "[ . 1 . 2]" 1
26 1 6 GLU HB2 1 7 ALA H . . 4.700 4.500 4.438 4.564 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLU HB3 1 7 ALA H . . 4.700 4.184 3.988 4.293 . 0 0 "[ . 1 . 2]" 1
28 1 7 ALA H 1 7 ALA MB . . 2.970 2.850 2.126 2.941 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA H 1 8 PRO QD . . 4.390 3.865 3.771 4.245 . 0 0 "[ . 1 . 2]" 1
30 1 7 ALA H 1 90 TYR HB2 . . 4.310 4.195 3.803 4.328 0.018 18 0 "[ . 1 . 2]" 1
31 1 7 ALA H 1 90 TYR HB3 . . 3.780 2.986 2.648 3.376 . 0 0 "[ . 1 . 2]" 1
32 1 7 ALA H 1 90 TYR QD . . 4.490 2.895 1.898 3.549 . 0 0 "[ . 1 . 2]" 1
33 1 7 ALA H 1 90 TYR QE . . 4.750 4.296 3.582 4.754 0.004 4 0 "[ . 1 . 2]" 1
34 1 7 ALA HA 1 8 PRO HD2 . . 3.370 2.253 2.193 2.319 . 0 0 "[ . 1 . 2]" 1
35 1 7 ALA HA 1 8 PRO QD . . 2.920 2.010 1.979 2.044 . 0 0 "[ . 1 . 2]" 1
36 1 7 ALA HA 1 8 PRO HD3 . . 3.370 2.260 2.253 2.272 . 0 0 "[ . 1 . 2]" 1
37 1 7 ALA HA 1 8 PRO HG3 . . 4.540 4.393 4.365 4.425 . 0 0 "[ . 1 . 2]" 1
38 1 7 ALA HA 1 83 VAL MG2 . . 4.510 3.539 3.208 3.891 . 0 0 "[ . 1 . 2]" 1
39 1 7 ALA HA 1 90 TYR HB3 . . 4.400 3.507 2.557 4.038 . 0 0 "[ . 1 . 2]" 1
40 1 7 ALA MB 1 8 PRO HA . . 4.520 4.473 4.437 4.502 . 0 0 "[ . 1 . 2]" 1
41 1 7 ALA MB 1 8 PRO HD2 . . 3.700 2.313 2.120 2.491 . 0 0 "[ . 1 . 2]" 1
42 1 7 ALA MB 1 8 PRO QD . . 3.180 2.280 2.097 2.442 . 0 0 "[ . 1 . 2]" 1
43 1 7 ALA MB 1 8 PRO HD3 . . 3.700 3.450 3.331 3.551 . 0 0 "[ . 1 . 2]" 1
44 1 7 ALA MB 1 8 PRO HG2 . . 4.420 3.952 3.824 4.105 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA MB 1 81 THR HB . . 5.230 5.083 4.814 5.234 0.004 17 0 "[ . 1 . 2]" 1
46 1 7 ALA MB 1 82 PHE HA . . 5.070 4.908 4.650 5.079 0.009 20 0 "[ . 1 . 2]" 1
47 1 7 ALA MB 1 83 VAL H . . 5.040 4.681 4.482 4.926 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA MB 1 83 VAL MG1 . . 4.430 3.665 3.130 4.166 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA MB 1 83 VAL MG2 . . 3.660 2.248 1.966 2.799 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA MB 1 90 TYR H . . 5.090 4.950 4.828 5.068 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA MB 1 90 TYR HB2 . . 3.950 2.967 2.591 3.275 . 0 0 "[ . 1 . 2]" 1
52 1 7 ALA MB 1 90 TYR HB3 . . 4.040 2.405 2.011 2.819 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA MB 1 91 ARG QB . . 5.340 4.460 3.871 4.884 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA MB 1 91 ARG QG . . 5.500 4.638 4.046 4.997 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA MB 1 92 GLN H . . 4.390 3.229 2.874 3.651 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA MB 1 92 GLN QB . . 3.990 2.908 2.426 3.434 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA MB 1 92 GLN HG2 . . 5.500 4.584 4.032 4.849 . 0 0 "[ . 1 . 2]" 1
58 1 8 PRO HA 1 9 PRO HA . . 4.570 4.398 4.397 4.405 . 0 0 "[ . 1 . 2]" 1
59 1 8 PRO HA 1 9 PRO HD2 . . 3.350 2.504 2.329 2.565 . 0 0 "[ . 1 . 2]" 1
60 1 8 PRO HA 1 9 PRO HD3 . . 3.350 2.353 2.283 2.384 . 0 0 "[ . 1 . 2]" 1
61 1 8 PRO HA 1 9 PRO QG . . 4.720 4.073 3.962 4.114 . 0 0 "[ . 1 . 2]" 1
62 1 8 PRO HB2 1 25 PRO HD2 . . 4.490 3.049 2.927 3.171 . 0 0 "[ . 1 . 2]" 1
63 1 8 PRO HB2 1 25 PRO QD . . 3.810 2.968 2.839 3.096 . 0 0 "[ . 1 . 2]" 1
64 1 8 PRO HB2 1 25 PRO HD3 . . 4.490 4.086 3.816 4.437 . 0 0 "[ . 1 . 2]" 1
65 1 8 PRO HB3 1 9 PRO QD . . 4.320 2.699 2.636 2.895 . 0 0 "[ . 1 . 2]" 1
66 1 8 PRO QD 1 83 VAL MG1 . . 4.560 3.990 3.683 4.398 . 0 0 "[ . 1 . 2]" 1
67 1 8 PRO QD 1 83 VAL MG2 . . 4.820 3.378 2.831 3.714 . 0 0 "[ . 1 . 2]" 1
68 1 8 PRO HG2 1 24 VAL HB . . 3.520 3.159 3.074 3.381 . 0 0 "[ . 1 . 2]" 1
69 1 8 PRO HG3 1 24 VAL HB . . 4.490 4.497 4.478 4.516 0.026 20 0 "[ . 1 . 2]" 1
70 1 8 PRO HG3 1 25 PRO HB2 . . 5.140 4.153 3.608 5.052 . 0 0 "[ . 1 . 2]" 1
71 1 9 PRO HA 1 10 ALA H . . 2.550 2.165 2.160 2.171 . 0 0 "[ . 1 . 2]" 1
72 1 9 PRO HA 1 10 ALA MB . . 4.110 3.960 3.942 3.977 . 0 0 "[ . 1 . 2]" 1
73 1 9 PRO HA 1 92 GLN QE . . 3.870 2.099 1.796 2.775 . 0 0 "[ . 1 . 2]" 1
74 1 9 PRO QB 1 10 ALA MB . . 5.070 4.569 4.536 4.598 . 0 0 "[ . 1 . 2]" 1
75 1 9 PRO QB 1 92 GLN QE . . 4.310 3.474 3.008 4.316 0.006 2 0 "[ . 1 . 2]" 1
76 1 9 PRO HB2 1 10 ALA H . . 3.920 3.436 3.389 3.469 . 0 0 "[ . 1 . 2]" 1
77 1 9 PRO HB3 1 10 ALA H . . 3.920 3.936 3.906 3.958 0.038 17 0 "[ . 1 . 2]" 1
78 1 10 ALA H 1 10 ALA MB . . 2.960 2.146 2.098 2.210 . 0 0 "[ . 1 . 2]" 1
79 1 10 ALA H 1 11 THR H . . 4.600 4.568 4.547 4.595 . 0 0 "[ . 1 . 2]" 1
80 1 10 ALA H 1 24 VAL MG1 . . 3.930 3.851 3.749 3.944 0.014 20 0 "[ . 1 . 2]" 1
81 1 10 ALA H 1 92 GLN QB . . 5.340 5.016 4.812 5.342 0.002 3 0 "[ . 1 . 2]" 1
82 1 10 ALA H 1 92 GLN HE21 . . 4.060 3.070 2.340 4.051 . 0 0 "[ . 1 . 2]" 1
83 1 10 ALA H 1 92 GLN HE22 . . 4.060 3.535 1.812 4.056 . 0 0 "[ . 1 . 2]" 1
84 1 10 ALA H 1 92 GLN HG2 . . 4.170 4.145 3.947 4.182 0.012 16 0 "[ . 1 . 2]" 1
85 1 10 ALA HA 1 11 THR H . . 2.650 2.198 2.178 2.231 . 0 0 "[ . 1 . 2]" 1
86 1 10 ALA HA 1 24 VAL MG1 . . 3.230 1.908 1.805 2.046 . 0 0 "[ . 1 . 2]" 1
87 1 10 ALA MB 1 11 THR H . . 3.270 2.924 2.826 3.016 . 0 0 "[ . 1 . 2]" 1
88 1 10 ALA MB 1 11 THR HA . . 4.850 4.217 4.172 4.257 . 0 0 "[ . 1 . 2]" 1
89 1 10 ALA MB 1 12 LEU QD . . 3.320 2.375 1.979 2.572 . 0 0 "[ . 1 . 2]" 1
90 1 10 ALA MB 1 22 VAL HA . . 5.020 4.662 4.353 4.944 . 0 0 "[ . 1 . 2]" 1
91 1 10 ALA MB 1 22 VAL MG1 . . 4.310 2.460 2.245 2.689 . 0 0 "[ . 1 . 2]" 1
92 1 10 ALA MB 1 22 VAL MG2 . . 4.080 4.065 3.901 4.123 0.043 11 0 "[ . 1 . 2]" 1
93 1 10 ALA MB 1 23 SER H . . 4.940 4.673 4.351 4.874 . 0 0 "[ . 1 . 2]" 1
94 1 10 ALA MB 1 24 VAL HB . . 5.500 3.985 3.869 4.174 . 0 0 "[ . 1 . 2]" 1
95 1 10 ALA MB 1 24 VAL MG1 . . 4.050 1.926 1.832 2.066 . 0 0 "[ . 1 . 2]" 1
96 1 10 ALA MB 1 24 VAL MG2 . . 4.550 4.103 3.949 4.255 . 0 0 "[ . 1 . 2]" 1
97 1 10 ALA MB 1 32 PHE QE . . 4.840 4.336 4.087 4.568 . 0 0 "[ . 1 . 2]" 1
98 1 10 ALA MB 1 81 THR MG . . 3.570 3.377 2.953 3.580 0.010 20 0 "[ . 1 . 2]" 1
99 1 11 THR H 1 11 THR HB . . 3.000 2.610 2.568 2.642 . 0 0 "[ . 1 . 2]" 1
100 1 11 THR H 1 11 THR MG . . 3.870 3.822 3.809 3.835 . 0 0 "[ . 1 . 2]" 1
101 1 11 THR H 1 12 LEU QD . . 5.440 4.198 3.819 4.460 . 0 0 "[ . 1 . 2]" 1
102 1 11 THR H 1 12 LEU HG . . 4.490 4.457 4.338 4.504 0.014 11 0 "[ . 1 . 2]" 1
103 1 11 THR H 1 22 VAL HA . . 4.850 4.767 4.651 4.871 0.021 19 0 "[ . 1 . 2]" 1
104 1 11 THR H 1 23 SER H . . 3.620 3.623 3.588 3.651 0.031 12 0 "[ . 1 . 2]" 1
105 1 11 THR H 1 24 VAL HA . . 3.660 3.005 2.920 3.181 . 0 0 "[ . 1 . 2]" 1
106 1 11 THR H 1 24 VAL MG1 . . 3.610 2.509 2.294 2.814 . 0 0 "[ . 1 . 2]" 1
107 1 11 THR H 1 25 PRO QD . . 5.270 3.935 3.850 4.135 . 0 0 "[ . 1 . 2]" 1
108 1 11 THR HA 1 11 THR MG . . 3.390 2.382 2.342 2.415 . 0 0 "[ . 1 . 2]" 1
109 1 11 THR HA 1 12 LEU H . . 3.280 2.367 2.351 2.375 . 0 0 "[ . 1 . 2]" 1
110 1 11 THR HA 1 12 LEU QD . . 3.930 3.600 3.382 3.834 . 0 0 "[ . 1 . 2]" 1
111 1 11 THR HA 1 12 LEU HG . . 4.780 4.624 4.438 4.756 . 0 0 "[ . 1 . 2]" 1
112 1 11 THR HA 1 23 SER H . . 5.250 4.985 4.794 5.106 . 0 0 "[ . 1 . 2]" 1
113 1 11 THR HB 1 22 VAL HA . . 4.710 4.637 4.466 4.717 0.007 20 0 "[ . 1 . 2]" 1
114 1 11 THR HB 1 23 SER H . . 3.860 3.065 2.794 3.187 . 0 0 "[ . 1 . 2]" 1
115 1 11 THR MG 1 12 LEU H . . 3.790 3.656 3.598 3.695 . 0 0 "[ . 1 . 2]" 1
116 1 11 THR MG 1 12 LEU HA . . 4.320 4.282 4.197 4.329 0.009 1 0 "[ . 1 . 2]" 1
117 1 11 THR MG 1 13 GLU H . . 4.480 4.066 3.924 4.174 . 0 0 "[ . 1 . 2]" 1
118 1 11 THR MG 1 13 GLU HG2 . . 4.410 2.973 2.541 4.206 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR MG 1 13 GLU QG . . 3.650 2.795 2.502 3.062 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR MG 1 13 GLU HG3 . . 4.410 3.937 2.891 4.419 0.009 2 0 "[ . 1 . 2]" 1
121 1 11 THR MG 1 23 SER H . . 4.450 4.038 3.761 4.209 . 0 0 "[ . 1 . 2]" 1
122 1 12 LEU H 1 12 LEU QD . . 3.900 1.979 1.857 2.218 . 0 0 "[ . 1 . 2]" 1
123 1 12 LEU HA 1 12 LEU MD1 . . 4.090 3.661 3.587 3.733 . 0 0 "[ . 1 . 2]" 1
124 1 12 LEU HA 1 12 LEU QD . . 3.590 3.133 3.042 3.184 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU HA 1 12 LEU MD2 . . 4.090 3.410 3.233 3.537 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU HA 1 12 LEU HG . . 3.620 2.658 2.596 2.763 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU HA 1 13 GLU H . . 2.890 2.153 2.145 2.165 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU HA 1 20 LEU QD . . 4.620 4.170 4.023 4.277 . 0 0 "[ . 1 . 2]" 1
129 1 12 LEU HA 1 22 VAL HA . . 3.610 2.219 2.068 2.348 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU HA 1 22 VAL MG1 . . 4.170 2.966 2.714 3.275 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU HA 1 22 VAL MG2 . . 4.190 1.986 1.930 2.074 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU HA 1 23 SER H . . 4.260 3.715 3.532 3.887 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU QB 1 13 GLU H . . 3.680 3.471 3.413 3.525 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU QB 1 20 LEU QD . . 4.410 3.153 2.994 3.351 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU QB 1 22 VAL MG1 . . 4.070 3.571 3.364 3.846 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU HB2 1 13 GLU H . . 4.280 4.265 4.189 4.313 0.033 11 0 "[ . 1 . 2]" 1
137 1 12 LEU HB3 1 13 GLU H . . 4.280 3.676 3.611 3.749 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU QD 1 13 GLU H . . 5.140 4.479 4.382 4.545 . 0 0 "[ . 1 . 2]" 1
139 1 12 LEU QD 1 20 LEU QD . . 3.530 3.183 3.032 3.459 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU QD 1 22 VAL HA . . 5.200 4.132 3.948 4.296 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU QD 1 22 VAL MG1 . . 3.470 2.438 2.272 2.652 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU QD 1 50 TRP HZ3 . . 4.460 4.393 4.170 4.492 0.032 13 0 "[ . 1 . 2]" 1
143 1 12 LEU QD 1 77 ILE HB . . 4.070 3.032 2.796 3.442 . 0 0 "[ . 1 . 2]" 1
144 1 12 LEU QD 1 77 ILE MD . . 3.670 2.118 1.993 2.374 . 0 0 "[ . 1 . 2]" 1
145 1 12 LEU QD 1 77 ILE QG . . 5.110 3.730 3.563 4.016 . 0 0 "[ . 1 . 2]" 1
146 1 12 LEU QD 1 77 ILE MG . . 3.870 2.382 2.087 2.680 . 0 0 "[ . 1 . 2]" 1
147 1 12 LEU QD 1 97 TRP H . . 5.280 4.711 4.572 5.078 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU QD 1 97 TRP HB2 . . 3.600 2.564 2.323 3.041 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU QD 1 97 TRP HB3 . . 3.680 2.353 2.056 2.876 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU QD 1 97 TRP HD1 . . 4.690 3.073 2.886 3.320 . 0 0 "[ . 1 . 2]" 1
151 1 12 LEU QD 1 97 TRP HE1 . . 5.440 3.619 3.419 3.820 . 0 0 "[ . 1 . 2]" 1
152 1 12 LEU MD1 1 22 VAL MG1 . . 3.970 3.464 3.331 3.675 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU MD1 1 22 VAL MG2 . . 3.840 3.758 3.521 3.844 0.004 7 0 "[ . 1 . 2]" 1
154 1 12 LEU MD1 1 97 TRP HB2 . . 4.130 2.716 2.392 3.369 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU MD1 1 97 TRP HB3 . . 4.280 2.380 2.065 2.955 . 0 0 "[ . 1 . 2]" 1
156 1 12 LEU MD1 1 97 TRP HD1 . . 5.400 3.097 2.903 3.358 . 0 0 "[ . 1 . 2]" 1
157 1 12 LEU MD2 1 22 VAL MG1 . . 3.970 2.494 2.308 2.755 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU MD2 1 22 VAL MG2 . . 3.840 1.921 1.829 2.035 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU MD2 1 97 TRP HB2 . . 4.130 3.178 2.927 3.462 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU MD2 1 97 TRP HB3 . . 4.280 3.767 3.402 3.948 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU MD2 1 97 TRP HD1 . . 5.400 5.189 4.900 5.407 0.007 3 0 "[ . 1 . 2]" 1
162 1 12 LEU HG 1 13 GLU H . . 4.980 4.799 4.740 4.889 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU HG 1 22 VAL MG1 . . 3.280 2.101 1.970 2.387 . 0 0 "[ . 1 . 2]" 1
164 1 12 LEU HG 1 22 VAL MG2 . . 3.540 2.627 2.195 2.831 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLU H 1 13 GLU HA . . 2.920 2.886 2.874 2.903 . 0 0 "[ . 1 . 2]" 1
166 1 13 GLU H 1 13 GLU HB2 . . 3.850 2.489 2.142 2.701 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLU H 1 13 GLU QB . . 3.380 2.443 2.120 2.632 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLU H 1 13 GLU HB3 . . 3.850 3.595 3.374 3.645 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLU H 1 13 GLU QG . . 4.350 2.443 1.984 3.325 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLU H 1 14 ALA H . . 4.550 4.407 4.275 4.481 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLU H 1 20 LEU MD1 . . 4.780 3.726 3.579 3.831 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLU H 1 20 LEU MD2 . . 4.780 4.801 4.758 4.824 0.044 8 0 "[ . 1 . 2]" 1
173 1 13 GLU H 1 21 ARG H . . 3.950 3.920 3.852 3.981 0.031 12 0 "[ . 1 . 2]" 1
174 1 13 GLU H 1 21 ARG HA . . 5.280 5.020 4.951 5.103 . 0 0 "[ . 1 . 2]" 1
175 1 13 GLU H 1 22 VAL HA . . 3.940 2.943 2.683 3.190 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLU H 1 22 VAL MG1 . . 4.980 4.560 4.351 4.875 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLU H 1 23 SER H . . 4.640 4.204 4.031 4.443 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLU HA 1 13 GLU HG2 . . 3.940 2.833 2.539 3.472 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLU HA 1 13 GLU QG . . 3.320 2.663 2.189 3.001 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLU HA 1 13 GLU HG3 . . 3.940 3.644 2.233 3.913 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLU HA 1 14 ALA H . . 3.030 2.756 2.669 2.899 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLU HA 1 14 ALA MB . . 4.280 3.803 3.784 3.821 . 0 0 "[ . 1 . 2]" 1
183 1 13 GLU HA 1 101 GLY H . . 4.310 4.290 4.018 4.330 0.020 14 0 "[ . 1 . 2]" 1
184 1 13 GLU HA 1 103 VAL MG2 . . 5.130 3.776 3.651 3.883 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLU QB 1 14 ALA H . . 3.770 1.870 1.843 1.907 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLU QB 1 20 LEU QD . . 5.250 3.217 3.130 3.296 . 0 0 "[ . 1 . 2]" 1
187 1 13 GLU QB 1 103 VAL MG1 . . 3.600 2.869 2.599 3.240 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLU HB2 1 103 VAL MG2 . . 4.220 2.219 1.925 2.839 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLU HB3 1 103 VAL MG2 . . 4.220 1.834 1.770 2.047 . 0 0 "[ . 1 . 2]" 1
190 1 13 GLU QG 1 103 VAL MG2 . . 3.720 2.810 2.398 3.034 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLU HG2 1 14 ALA H . . 4.550 4.371 3.562 4.556 0.006 18 0 "[ . 1 . 2]" 1
192 1 13 GLU HG2 1 103 VAL MG2 . . 4.290 3.772 2.732 3.977 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLU HG3 1 14 ALA H . . 4.550 4.331 3.720 4.567 0.017 9 0 "[ . 1 . 2]" 1
194 1 13 GLU HG3 1 103 VAL MG2 . . 4.290 2.991 2.434 3.841 . 0 0 "[ . 1 . 2]" 1
195 1 14 ALA H 1 14 ALA MB . . 3.080 2.593 2.526 2.673 . 0 0 "[ . 1 . 2]" 1
196 1 14 ALA H 1 15 ILE H . . 4.340 3.511 3.419 3.589 . 0 0 "[ . 1 . 2]" 1
197 1 14 ALA H 1 102 PHE HA . . 4.370 2.964 2.887 3.116 . 0 0 "[ . 1 . 2]" 1
198 1 14 ALA H 1 102 PHE HB3 . . 5.500 5.532 5.504 5.609 0.109 18 0 "[ . 1 . 2]" 1
199 1 14 ALA H 1 103 VAL H . . 4.660 4.012 3.837 4.201 . 0 0 "[ . 1 . 2]" 1
200 1 14 ALA H 1 103 VAL MG1 . . 4.130 4.019 3.847 4.150 0.020 9 0 "[ . 1 . 2]" 1
201 1 14 ALA H 1 103 VAL MG2 . . 4.600 2.093 1.935 2.231 . 0 0 "[ . 1 . 2]" 1
202 1 14 ALA HA 1 15 ILE H . . 2.800 2.337 2.327 2.348 . 0 0 "[ . 1 . 2]" 1
203 1 14 ALA HA 1 20 LEU HA . . 4.310 4.385 4.346 4.419 0.109 3 0 "[ . 1 . 2]" 1
204 1 14 ALA HA 1 21 ARG H . . 4.520 4.293 4.229 4.341 . 0 0 "[ . 1 . 2]" 1
205 1 14 ALA HA 1 71 LEU QD . . 3.650 2.478 2.119 2.654 . 0 0 "[ . 1 . 2]" 1
206 1 14 ALA HA 1 71 LEU HG . . 4.890 4.063 3.505 4.539 . 0 0 "[ . 1 . 2]" 1
207 1 14 ALA MB 1 15 ILE H . . 4.110 3.654 3.647 3.660 . 0 0 "[ . 1 . 2]" 1
208 1 14 ALA MB 1 20 LEU MD1 . . 4.630 3.299 3.275 3.328 . 0 0 "[ . 1 . 2]" 1
209 1 14 ALA MB 1 20 LEU QD . . 3.870 3.236 3.214 3.263 . 0 0 "[ . 1 . 2]" 1
210 1 14 ALA MB 1 20 LEU MD2 . . 4.630 4.681 4.643 4.723 0.093 12 0 "[ . 1 . 2]" 1
211 1 14 ALA MB 1 71 LEU QD . . 3.340 2.267 1.995 2.661 . 0 0 "[ . 1 . 2]" 1
212 1 14 ALA MB 1 73 ILE H . . 3.280 3.303 3.200 3.341 0.061 18 0 "[ . 1 . 2]" 1
213 1 14 ALA MB 1 73 ILE HA . . 4.560 3.498 3.319 3.678 . 0 0 "[ . 1 . 2]" 1
214 1 14 ALA MB 1 99 VAL MG1 . . 3.300 1.687 1.614 1.768 . 0 0 "[ . 1 . 2]" 1
215 1 14 ALA MB 1 99 VAL MG2 . . 3.350 3.243 3.020 3.388 0.038 19 0 "[ . 1 . 2]" 1
216 1 14 ALA MB 1 101 GLY H . . 4.190 2.801 2.606 3.303 . 0 0 "[ . 1 . 2]" 1
217 1 14 ALA MB 1 102 PHE HA . . 4.000 2.179 1.959 2.364 . 0 0 "[ . 1 . 2]" 1
218 1 14 ALA MB 1 103 VAL MG2 . . 3.940 3.543 3.358 3.625 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE H 1 15 ILE HB . . 2.950 2.678 2.670 2.693 . 0 0 "[ . 1 . 2]" 1
220 1 15 ILE H 1 15 ILE MD . . 3.960 3.397 3.219 3.458 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE H 1 15 ILE HG12 . . 3.420 1.866 1.841 1.891 . 0 0 "[ . 1 . 2]" 1
222 1 15 ILE H 1 15 ILE HG13 . . 3.420 3.246 3.192 3.355 . 0 0 "[ . 1 . 2]" 1
223 1 15 ILE H 1 15 ILE MG . . 3.980 3.767 3.764 3.770 . 0 0 "[ . 1 . 2]" 1
224 1 15 ILE H 1 16 HIS H . . 4.680 4.588 4.584 4.593 . 0 0 "[ . 1 . 2]" 1
225 1 15 ILE H 1 20 LEU H . . 5.500 5.420 5.376 5.457 . 0 0 "[ . 1 . 2]" 1
226 1 15 ILE H 1 20 LEU HA . . 3.950 2.540 2.503 2.574 . 0 0 "[ . 1 . 2]" 1
227 1 15 ILE H 1 20 LEU HB3 . . 5.500 5.058 5.025 5.091 . 0 0 "[ . 1 . 2]" 1
228 1 15 ILE H 1 20 LEU QD . . 5.060 1.780 1.740 1.827 . 0 0 "[ . 1 . 2]" 1
229 1 15 ILE H 1 21 ARG H . . 4.440 3.025 2.892 3.142 . 0 0 "[ . 1 . 2]" 1
230 1 15 ILE H 1 21 ARG HB2 . . 5.500 4.838 4.630 4.993 . 0 0 "[ . 1 . 2]" 1
231 1 15 ILE H 1 103 VAL MG2 . . 4.180 2.931 2.829 3.074 . 0 0 "[ . 1 . 2]" 1
232 1 15 ILE HA 1 15 ILE MD . . 3.420 2.347 2.162 2.436 . 0 0 "[ . 1 . 2]" 1
233 1 15 ILE HA 1 15 ILE MG . . 3.390 2.186 2.171 2.196 . 0 0 "[ . 1 . 2]" 1
234 1 15 ILE HA 1 16 HIS H . . 2.880 2.499 2.494 2.503 . 0 0 "[ . 1 . 2]" 1
235 1 15 ILE HA 1 102 PHE HA . . 4.460 4.416 4.311 4.478 0.018 20 0 "[ . 1 . 2]" 1
236 1 15 ILE HA 1 103 VAL H . . 3.410 3.017 2.806 3.096 . 0 0 "[ . 1 . 2]" 1
237 1 15 ILE HA 1 103 VAL HB . . 4.420 3.606 3.488 3.684 . 0 0 "[ . 1 . 2]" 1
238 1 15 ILE HA 1 103 VAL MG1 . . 4.740 4.706 4.616 4.753 0.013 2 0 "[ . 1 . 2]" 1
239 1 15 ILE HA 1 105 GLU H . . 5.370 4.993 4.734 5.225 . 0 0 "[ . 1 . 2]" 1
240 1 15 ILE HB 1 16 HIS H . . 4.170 3.214 3.189 3.229 . 0 0 "[ . 1 . 2]" 1
241 1 15 ILE HB 1 19 GLY HA2 . . 4.630 4.695 4.651 4.719 0.089 5 0 "[ . 1 . 2]" 1
242 1 15 ILE HB 1 19 GLY HA3 . . 4.680 3.943 3.880 3.984 . 0 0 "[ . 1 . 2]" 1
243 1 15 ILE HB 1 20 LEU H . . 3.730 3.737 3.674 3.760 0.030 3 0 "[ . 1 . 2]" 1
244 1 15 ILE MD 1 15 ILE MG . . 3.130 1.916 1.868 2.028 . 0 0 "[ . 1 . 2]" 1
245 1 15 ILE MD 1 16 HIS H . . 4.160 3.660 3.631 3.694 . 0 0 "[ . 1 . 2]" 1
246 1 15 ILE MD 1 20 LEU H . . 4.940 4.962 4.929 4.983 0.043 9 0 "[ . 1 . 2]" 1
247 1 15 ILE MD 1 20 LEU HA . . 4.420 3.745 3.675 3.782 . 0 0 "[ . 1 . 2]" 1
248 1 15 ILE MD 1 21 ARG H . . 3.810 3.458 3.223 3.596 . 0 0 "[ . 1 . 2]" 1
249 1 15 ILE MD 1 21 ARG HA . . 4.740 3.957 3.827 4.056 . 0 0 "[ . 1 . 2]" 1
250 1 15 ILE MD 1 21 ARG HB3 . . 3.550 2.228 2.012 2.464 . 0 0 "[ . 1 . 2]" 1
251 1 15 ILE MD 1 103 VAL HA . . 4.380 4.085 3.962 4.229 . 0 0 "[ . 1 . 2]" 1
252 1 15 ILE MD 1 103 VAL HB . . 3.700 1.955 1.861 2.099 . 0 0 "[ . 1 . 2]" 1
253 1 15 ILE MD 1 103 VAL MG2 . . 4.430 1.761 1.704 1.875 . 0 0 "[ . 1 . 2]" 1
254 1 15 ILE MD 1 105 GLU H . . 4.680 3.893 3.713 4.198 . 0 0 "[ . 1 . 2]" 1
255 1 15 ILE MD 1 105 GLU HA . . 4.130 3.758 3.449 4.076 . 0 0 "[ . 1 . 2]" 1
256 1 15 ILE QG 1 15 ILE MG . . 3.330 2.427 2.341 2.461 . 0 0 "[ . 1 . 2]" 1
257 1 15 ILE QG 1 16 HIS H . . 4.510 4.253 4.248 4.260 . 0 0 "[ . 1 . 2]" 1
258 1 15 ILE QG 1 20 LEU QD . . 4.920 2.456 2.361 2.550 . 0 0 "[ . 1 . 2]" 1
259 1 15 ILE QG 1 21 ARG H . . 4.200 2.163 1.928 2.300 . 0 0 "[ . 1 . 2]" 1
260 1 15 ILE HG12 1 16 HIS H . . 5.260 4.725 4.700 4.781 . 0 0 "[ . 1 . 2]" 1
261 1 15 ILE HG13 1 16 HIS H . . 5.260 4.826 4.782 4.845 . 0 0 "[ . 1 . 2]" 1
262 1 15 ILE MG 1 16 HIS H . . 3.020 1.683 1.675 1.692 . 0 0 "[ . 1 . 2]" 1
263 1 15 ILE MG 1 16 HIS QB . . 4.610 2.658 2.637 2.671 . 0 0 "[ . 1 . 2]" 1
264 1 15 ILE MG 1 18 LYS H . . 4.090 3.870 3.837 3.905 . 0 0 "[ . 1 . 2]" 1
265 1 15 ILE MG 1 20 LEU H . . 4.440 4.242 4.151 4.290 . 0 0 "[ . 1 . 2]" 1
266 1 15 ILE MG 1 67 ARG HA . . 5.500 5.474 5.305 5.524 0.024 6 0 "[ . 1 . 2]" 1
267 1 15 ILE MG 1 104 ASP HA . . 4.070 2.809 2.430 3.280 . 0 0 "[ . 1 . 2]" 1
268 1 15 ILE MG 1 105 GLU H . . 3.530 2.745 2.494 2.953 . 0 0 "[ . 1 . 2]" 1
269 1 15 ILE MG 1 105 GLU HA . . 3.980 3.716 3.276 3.967 . 0 0 "[ . 1 . 2]" 1
270 1 15 ILE MG 1 105 GLU HB2 . . 4.220 2.277 2.011 2.632 . 0 0 "[ . 1 . 2]" 1
271 1 15 ILE MG 1 105 GLU QB . . 3.700 2.251 1.994 2.601 . 0 0 "[ . 1 . 2]" 1
272 1 15 ILE MG 1 105 GLU HB3 . . 4.220 3.591 2.957 4.067 . 0 0 "[ . 1 . 2]" 1
273 1 15 ILE MG 1 105 GLU QG . . 3.950 3.498 2.866 3.896 . 0 0 "[ . 1 . 2]" 1
274 1 16 HIS H 1 16 HIS HB2 . . 3.570 2.089 2.086 2.091 . 0 0 "[ . 1 . 2]" 1
275 1 16 HIS H 1 16 HIS QB . . 2.860 2.070 2.067 2.072 . 0 0 "[ . 1 . 2]" 1
276 1 16 HIS H 1 16 HIS HB3 . . 3.570 3.378 3.374 3.383 . 0 0 "[ . 1 . 2]" 1
277 1 16 HIS H 1 16 HIS HD2 . . 4.540 4.027 3.462 4.557 0.017 1 0 "[ . 1 . 2]" 1
278 1 16 HIS H 1 71 LEU QD . . 5.440 5.113 4.816 5.483 0.043 18 0 "[ . 1 . 2]" 1
279 1 16 HIS H 1 103 VAL HB . . 5.310 5.304 5.166 5.337 0.027 20 0 "[ . 1 . 2]" 1
280 1 16 HIS H 1 104 ASP HA . . 4.120 3.495 3.160 4.033 . 0 0 "[ . 1 . 2]" 1
281 1 16 HIS H 1 105 GLU H . . 4.340 3.869 3.520 4.206 . 0 0 "[ . 1 . 2]" 1
282 1 16 HIS HA 1 18 LYS H . . 4.240 3.999 3.994 4.007 . 0 0 "[ . 1 . 2]" 1
283 1 16 HIS QB 1 17 PRO HA . . 4.650 4.430 4.426 4.434 . 0 0 "[ . 1 . 2]" 1
284 1 16 HIS QB 1 104 ASP HA . . 4.360 3.922 3.587 4.369 0.009 18 0 "[ . 1 . 2]" 1
285 1 16 HIS QB 1 105 GLU H . . 4.430 3.743 3.429 4.137 . 0 0 "[ . 1 . 2]" 1
286 1 17 PRO HA 1 19 GLY H . . 4.360 3.620 3.589 3.681 . 0 0 "[ . 1 . 2]" 1
287 1 17 PRO QB 1 70 ALA HA . . 4.460 3.310 3.235 3.396 . 0 0 "[ . 1 . 2]" 1
288 1 17 PRO HD2 1 18 LYS H . . 3.710 3.444 3.424 3.475 . 0 0 "[ . 1 . 2]" 1
289 1 17 PRO HD3 1 18 LYS H . . 4.430 4.267 4.256 4.284 . 0 0 "[ . 1 . 2]" 1
290 1 17 PRO HG2 1 18 LYS H . . 4.090 3.842 3.822 3.873 . 0 0 "[ . 1 . 2]" 1
291 1 17 PRO HG3 1 18 LYS H . . 5.200 4.997 4.982 5.022 . 0 0 "[ . 1 . 2]" 1
292 1 18 LYS H 1 18 LYS HB2 . . 4.000 3.826 3.809 3.838 . 0 0 "[ . 1 . 2]" 1
293 1 18 LYS H 1 18 LYS QD . . 5.030 4.176 3.510 4.446 . 0 0 "[ . 1 . 2]" 1
294 1 18 LYS H 1 18 LYS HG2 . . 3.880 2.377 2.222 2.520 . 0 0 "[ . 1 . 2]" 1
295 1 18 LYS H 1 18 LYS HG3 . . 3.880 3.288 2.864 3.773 . 0 0 "[ . 1 . 2]" 1
296 1 18 LYS H 1 19 GLY H . . 3.710 2.306 2.252 2.364 . 0 0 "[ . 1 . 2]" 1
297 1 18 LYS H 1 19 GLY HA2 . . 4.830 4.799 4.774 4.817 . 0 0 "[ . 1 . 2]" 1
298 1 18 LYS H 1 70 ALA HA . . 4.330 4.016 3.942 4.078 . 0 0 "[ . 1 . 2]" 1
299 1 18 LYS H 1 70 ALA MB . . 4.660 4.695 4.680 4.732 0.072 16 0 "[ . 1 . 2]" 1
300 1 18 LYS HA 1 18 LYS QG . . 3.670 3.336 3.319 3.343 . 0 0 "[ . 1 . 2]" 1
301 1 18 LYS HA 1 19 GLY H . . 3.060 3.014 2.956 3.052 . 0 0 "[ . 1 . 2]" 1
302 1 18 LYS HA 1 19 GLY HA2 . . 4.770 4.467 4.446 4.478 . 0 0 "[ . 1 . 2]" 1
303 1 18 LYS HB2 1 19 GLY H . . 4.550 4.502 4.475 4.542 . 0 0 "[ . 1 . 2]" 1
304 1 18 LYS HB2 1 19 GLY HA3 . . 5.110 4.985 4.906 5.088 . 0 0 "[ . 1 . 2]" 1
305 1 18 LYS HB3 1 19 GLY H . . 4.890 4.514 4.461 4.568 . 0 0 "[ . 1 . 2]" 1
306 1 18 LYS QG 1 19 GLY H . . 4.520 3.548 3.436 3.653 . 0 0 "[ . 1 . 2]" 1
307 1 18 LYS QG 1 19 GLY HA3 . . 4.310 3.612 3.471 3.694 . 0 0 "[ . 1 . 2]" 1
308 1 18 LYS QG 1 67 ARG HA . . 5.000 4.261 3.960 4.565 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLY H 1 20 LEU H . . 4.510 4.401 4.396 4.404 . 0 0 "[ . 1 . 2]" 1
310 1 19 GLY H 1 67 ARG HA . . 4.750 4.449 4.252 4.579 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLY H 1 68 ASN H . . 5.140 5.073 4.725 5.184 0.044 7 0 "[ . 1 . 2]" 1
312 1 19 GLY H 1 69 ALA H . . 3.940 3.553 3.154 3.833 . 0 0 "[ . 1 . 2]" 1
313 1 19 GLY H 1 69 ALA MB . . 3.600 3.638 3.614 3.668 0.068 16 0 "[ . 1 . 2]" 1
314 1 19 GLY H 1 70 ALA HA . . 3.750 3.388 3.329 3.426 . 0 0 "[ . 1 . 2]" 1
315 1 19 GLY H 1 71 LEU H . . 4.330 4.258 4.156 4.357 0.027 1 0 "[ . 1 . 2]" 1
316 1 19 GLY H 1 71 LEU QD . . 4.190 4.073 3.959 4.198 0.008 14 0 "[ . 1 . 2]" 1
317 1 19 GLY HA2 1 20 LEU H . . 3.000 2.585 2.564 2.601 . 0 0 "[ . 1 . 2]" 1
318 1 19 GLY HA2 1 67 ARG HA . . 3.990 2.687 2.525 2.808 . 0 0 "[ . 1 . 2]" 1
319 1 19 GLY HA2 1 68 ASN H . . 4.410 2.754 2.405 2.892 . 0 0 "[ . 1 . 2]" 1
320 1 19 GLY HA2 1 68 ASN HA . . 5.080 4.341 4.182 4.448 . 0 0 "[ . 1 . 2]" 1
321 1 19 GLY HA2 1 69 ALA H . . 3.780 1.892 1.875 1.935 . 0 0 "[ . 1 . 2]" 1
322 1 19 GLY HA3 1 20 LEU H . . 2.900 2.541 2.525 2.562 . 0 0 "[ . 1 . 2]" 1
323 1 19 GLY HA3 1 67 ARG HA . . 4.080 2.405 2.206 2.541 . 0 0 "[ . 1 . 2]" 1
324 1 19 GLY HA3 1 67 ARG QG . . 5.220 4.125 3.355 5.269 0.049 5 0 "[ . 1 . 2]" 1
325 1 19 GLY HA3 1 68 ASN H . . 4.470 4.057 3.784 4.194 . 0 0 "[ . 1 . 2]" 1
326 1 19 GLY HA3 1 69 ALA H . . 3.850 3.620 3.587 3.668 . 0 0 "[ . 1 . 2]" 1
327 1 20 LEU H 1 20 LEU HB3 . . 3.120 2.926 2.887 2.968 . 0 0 "[ . 1 . 2]" 1
328 1 20 LEU H 1 20 LEU MD1 . . 5.010 4.272 4.248 4.316 . 0 0 "[ . 1 . 2]" 1
329 1 20 LEU H 1 20 LEU QD . . 4.400 3.972 3.959 3.994 . 0 0 "[ . 1 . 2]" 1
330 1 20 LEU H 1 20 LEU MD2 . . 5.010 4.722 4.703 4.744 . 0 0 "[ . 1 . 2]" 1
331 1 20 LEU H 1 20 LEU HG . . 4.690 4.649 4.596 4.686 . 0 0 "[ . 1 . 2]" 1
332 1 20 LEU H 1 21 ARG H . . 4.420 4.394 4.380 4.400 . 0 0 "[ . 1 . 2]" 1
333 1 20 LEU H 1 65 ARG HA . . 4.520 4.299 4.216 4.374 . 0 0 "[ . 1 . 2]" 1
334 1 20 LEU H 1 66 ASP H . . 3.400 2.463 2.293 2.593 . 0 0 "[ . 1 . 2]" 1
335 1 20 LEU H 1 66 ASP QB . . 3.810 2.518 2.237 2.834 . 0 0 "[ . 1 . 2]" 1
336 1 20 LEU H 1 67 ARG HA . . 4.090 4.057 3.896 4.123 0.033 20 0 "[ . 1 . 2]" 1
337 1 20 LEU H 1 68 ASN H . . 4.710 4.296 3.992 4.432 . 0 0 "[ . 1 . 2]" 1
338 1 20 LEU H 1 69 ALA H . . 4.080 3.924 3.714 4.048 . 0 0 "[ . 1 . 2]" 1
339 1 20 LEU H 1 69 ALA MB . . 3.530 2.954 2.710 3.136 . 0 0 "[ . 1 . 2]" 1
340 1 20 LEU HA 1 20 LEU MD1 . . 4.250 1.961 1.932 2.066 . 0 0 "[ . 1 . 2]" 1
341 1 20 LEU HA 1 20 LEU QD . . 3.620 1.955 1.927 2.058 . 0 0 "[ . 1 . 2]" 1
342 1 20 LEU HA 1 20 LEU MD2 . . 4.250 3.824 3.804 3.849 . 0 0 "[ . 1 . 2]" 1
343 1 20 LEU HA 1 21 ARG H . . 2.730 2.415 2.346 2.462 . 0 0 "[ . 1 . 2]" 1
344 1 20 LEU HB2 1 20 LEU MD1 . . 3.200 2.369 2.323 2.386 . 0 0 "[ . 1 . 2]" 1
345 1 20 LEU HB2 1 20 LEU MD2 . . 3.200 2.308 2.270 2.353 . 0 0 "[ . 1 . 2]" 1
346 1 20 LEU HB2 1 66 ASP QB . . 4.780 3.972 3.790 4.134 . 0 0 "[ . 1 . 2]" 1
347 1 20 LEU HB2 1 69 ALA MB . . 3.240 1.902 1.781 2.027 . 0 0 "[ . 1 . 2]" 1
348 1 20 LEU HB3 1 66 ASP H . . 3.920 3.896 3.657 3.944 0.024 5 0 "[ . 1 . 2]" 1
349 1 20 LEU HB3 1 69 ALA H . . 5.010 4.927 4.606 5.029 0.019 19 0 "[ . 1 . 2]" 1
350 1 20 LEU HB3 1 69 ALA MB . . 4.490 2.536 2.305 2.651 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU QD 1 21 ARG H . . 3.380 1.861 1.840 1.913 . 0 0 "[ . 1 . 2]" 1
352 1 20 LEU QD 1 22 VAL MG2 . . 3.340 2.701 2.591 2.818 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU QD 1 50 TRP HZ3 . . 4.770 4.001 3.804 4.167 . 0 0 "[ . 1 . 2]" 1
354 1 20 LEU QD 1 66 ASP QB . . 4.140 4.142 4.075 4.182 0.042 16 0 "[ . 1 . 2]" 1
355 1 20 LEU QD 1 71 LEU QD . . 3.260 1.731 1.515 1.855 . 0 0 "[ . 1 . 2]" 1
356 1 20 LEU QD 1 77 ILE QG . . 4.090 3.460 3.279 3.560 . 0 0 "[ . 1 . 2]" 1
357 1 20 LEU QD 1 77 ILE MG . . 5.110 3.969 3.857 4.077 . 0 0 "[ . 1 . 2]" 1
358 1 20 LEU MD1 1 21 ARG H . . 3.960 1.866 1.845 1.918 . 0 0 "[ . 1 . 2]" 1
359 1 20 LEU MD1 1 69 ALA MB . . 4.110 3.513 3.396 3.659 . 0 0 "[ . 1 . 2]" 1
360 1 20 LEU MD1 1 77 ILE MD . . 3.530 3.540 3.505 3.560 0.030 13 0 "[ . 1 . 2]" 1
361 1 20 LEU MD2 1 21 ARG H . . 3.960 3.679 3.587 3.833 . 0 0 "[ . 1 . 2]" 1
362 1 20 LEU MD2 1 69 ALA MB . . 4.110 2.610 2.468 2.759 . 0 0 "[ . 1 . 2]" 1
363 1 20 LEU MD2 1 77 ILE MD . . 3.530 2.237 2.088 2.370 . 0 0 "[ . 1 . 2]" 1
364 1 20 LEU HG 1 21 ARG H . . 3.840 2.048 1.900 2.294 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU HG 1 21 ARG HA . . 4.350 3.935 3.820 4.026 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU HG 1 66 ASP H . . 5.380 5.212 5.054 5.316 . 0 0 "[ . 1 . 2]" 1
367 1 20 LEU HG 1 69 ALA MB . . 4.440 4.195 4.004 4.328 . 0 0 "[ . 1 . 2]" 1
368 1 21 ARG H 1 21 ARG HB2 . . 3.430 3.136 3.036 3.237 . 0 0 "[ . 1 . 2]" 1
369 1 21 ARG H 1 21 ARG HB3 . . 3.490 2.702 2.632 2.784 . 0 0 "[ . 1 . 2]" 1
370 1 21 ARG H 1 21 ARG HG2 . . 4.890 4.470 4.375 4.817 . 0 0 "[ . 1 . 2]" 1
371 1 21 ARG H 1 21 ARG QG . . 4.300 4.089 4.040 4.143 . 0 0 "[ . 1 . 2]" 1
372 1 21 ARG H 1 21 ARG HG3 . . 4.890 4.747 4.517 4.859 . 0 0 "[ . 1 . 2]" 1
373 1 21 ARG H 1 22 VAL H . . 4.500 4.382 4.323 4.420 . 0 0 "[ . 1 . 2]" 1
374 1 21 ARG H 1 103 VAL MG2 . . 5.500 3.893 3.695 4.094 . 0 0 "[ . 1 . 2]" 1
375 1 21 ARG HA 1 21 ARG QD . . 4.720 3.975 2.937 4.191 . 0 0 "[ . 1 . 2]" 1
376 1 21 ARG HA 1 22 VAL H . . 2.850 2.196 2.169 2.217 . 0 0 "[ . 1 . 2]" 1
377 1 21 ARG HA 1 22 VAL MG2 . . 4.440 3.823 3.726 3.975 . 0 0 "[ . 1 . 2]" 1
378 1 21 ARG HA 1 64 PHE H . . 4.910 4.610 4.508 4.757 . 0 0 "[ . 1 . 2]" 1
379 1 21 ARG HA 1 65 ARG HA . . 3.690 2.383 2.105 2.525 . 0 0 "[ . 1 . 2]" 1
380 1 21 ARG HA 1 66 ASP H . . 3.730 3.580 3.514 3.684 . 0 0 "[ . 1 . 2]" 1
381 1 21 ARG HB2 1 22 VAL MG2 . . 5.500 5.355 5.270 5.440 . 0 0 "[ . 1 . 2]" 1
382 1 21 ARG HB2 1 65 ARG HA . . 4.120 3.894 3.767 4.043 . 0 0 "[ . 1 . 2]" 1
383 1 21 ARG HB3 1 22 VAL H . . 4.360 4.037 3.903 4.110 . 0 0 "[ . 1 . 2]" 1
384 1 21 ARG QD 1 63 ILE MG . . 4.170 3.318 2.736 3.573 . 0 0 "[ . 1 . 2]" 1
385 1 21 ARG HD2 1 63 ILE MG . . 4.870 3.807 2.787 4.569 . 0 0 "[ . 1 . 2]" 1
386 1 21 ARG HD3 1 63 ILE MG . . 4.870 3.959 2.883 4.515 . 0 0 "[ . 1 . 2]" 1
387 1 21 ARG QG 1 22 VAL H . . 4.050 2.440 2.144 2.596 . 0 0 "[ . 1 . 2]" 1
388 1 21 ARG QG 1 63 ILE MG . . 3.600 2.688 2.542 2.825 . 0 0 "[ . 1 . 2]" 1
389 1 21 ARG QG 1 64 PHE H . . 4.190 3.488 3.308 3.787 . 0 0 "[ . 1 . 2]" 1
390 1 21 ARG QG 1 65 ARG H . . 5.340 5.144 4.963 5.342 0.002 16 0 "[ . 1 . 2]" 1
391 1 21 ARG HG2 1 63 ILE MG . . 4.220 3.238 2.866 3.554 . 0 0 "[ . 1 . 2]" 1
392 1 21 ARG HG3 1 63 ILE MG . . 4.220 2.884 2.755 3.013 . 0 0 "[ . 1 . 2]" 1
393 1 22 VAL H 1 22 VAL HB . . 3.440 2.839 2.767 2.904 . 0 0 "[ . 1 . 2]" 1
394 1 22 VAL H 1 22 VAL MG1 . . 3.900 3.876 3.830 3.902 0.002 6 0 "[ . 1 . 2]" 1
395 1 22 VAL H 1 22 VAL MG2 . . 4.240 3.234 3.150 3.342 . 0 0 "[ . 1 . 2]" 1
396 1 22 VAL H 1 23 SER H . . 4.380 3.894 3.769 4.050 . 0 0 "[ . 1 . 2]" 1
397 1 22 VAL H 1 34 PHE QD . . 5.500 5.496 5.328 5.543 0.043 13 0 "[ . 1 . 2]" 1
398 1 22 VAL H 1 63 ILE MG . . 3.950 3.769 3.602 3.909 . 0 0 "[ . 1 . 2]" 1
399 1 22 VAL H 1 64 PHE H . . 3.720 2.996 2.910 3.073 . 0 0 "[ . 1 . 2]" 1
400 1 22 VAL H 1 64 PHE HB2 . . 5.120 4.935 4.712 5.056 . 0 0 "[ . 1 . 2]" 1
401 1 22 VAL H 1 64 PHE QD . . 4.160 3.645 2.632 4.137 . 0 0 "[ . 1 . 2]" 1
402 1 22 VAL H 1 65 ARG HA . . 4.120 3.641 3.292 3.778 . 0 0 "[ . 1 . 2]" 1
403 1 22 VAL H 1 66 ASP H . . 5.320 5.172 4.993 5.321 0.001 13 0 "[ . 1 . 2]" 1
404 1 22 VAL HA 1 22 VAL MG1 . . 3.660 2.461 2.418 2.507 . 0 0 "[ . 1 . 2]" 1
405 1 22 VAL HA 1 22 VAL MG2 . . 3.320 2.211 2.139 2.311 . 0 0 "[ . 1 . 2]" 1
406 1 22 VAL HA 1 23 SER H . . 2.800 2.160 2.143 2.180 . 0 0 "[ . 1 . 2]" 1
407 1 22 VAL HA 1 23 SER HB2 . . 4.930 4.842 4.636 4.936 0.006 4 0 "[ . 1 . 2]" 1
408 1 22 VAL HA 1 23 SER QB . . 4.300 4.171 4.118 4.208 . 0 0 "[ . 1 . 2]" 1
409 1 22 VAL HA 1 23 SER HB3 . . 4.930 4.560 4.433 4.797 . 0 0 "[ . 1 . 2]" 1
410 1 22 VAL HB 1 23 SER H . . 4.420 4.435 4.391 4.473 0.053 2 0 "[ . 1 . 2]" 1
411 1 22 VAL HB 1 64 PHE H . . 4.780 4.477 4.161 4.600 . 0 0 "[ . 1 . 2]" 1
412 1 22 VAL HB 1 64 PHE HB2 . . 4.950 4.784 4.362 4.954 0.004 13 0 "[ . 1 . 2]" 1
413 1 22 VAL HB 1 64 PHE HB3 . . 4.200 3.107 2.711 3.251 . 0 0 "[ . 1 . 2]" 1
414 1 22 VAL MG1 1 23 SER H . . 3.930 3.034 2.739 3.222 . 0 0 "[ . 1 . 2]" 1
415 1 22 VAL MG1 1 34 PHE QD . . 4.240 2.803 2.127 3.430 . 0 0 "[ . 1 . 2]" 1
416 1 22 VAL MG1 1 34 PHE QE . . 4.210 2.088 1.867 3.443 . 0 0 "[ . 1 . 2]" 1
417 1 22 VAL MG1 1 64 PHE H . . 4.680 4.607 4.273 4.684 0.004 10 0 "[ . 1 . 2]" 1
418 1 22 VAL MG1 1 64 PHE QD . . 4.120 3.864 3.554 4.043 . 0 0 "[ . 1 . 2]" 1
419 1 22 VAL MG1 1 77 ILE MG . . 5.500 5.133 4.950 5.343 . 0 0 "[ . 1 . 2]" 1
420 1 22 VAL MG1 1 81 THR MG . . 4.390 3.542 3.379 3.710 . 0 0 "[ . 1 . 2]" 1
421 1 22 VAL MG2 1 23 SER H . . 4.070 4.059 3.971 4.122 0.052 7 0 "[ . 1 . 2]" 1
422 1 22 VAL MG2 1 34 PHE QE . . 4.270 2.961 1.929 4.275 0.005 3 0 "[ . 1 . 2]" 1
423 1 22 VAL MG2 1 77 ILE MG . . 4.430 4.297 4.168 4.407 . 0 0 "[ . 1 . 2]" 1
424 1 22 VAL MG2 1 81 THR MG . . 5.160 5.047 4.880 5.177 0.017 19 0 "[ . 1 . 2]" 1
425 1 23 SER H 1 23 SER HB2 . . 4.030 3.188 3.005 3.339 . 0 0 "[ . 1 . 2]" 1
426 1 23 SER H 1 23 SER HB3 . . 4.030 2.535 2.451 2.723 . 0 0 "[ . 1 . 2]" 1
427 1 23 SER H 1 24 VAL H . . 4.560 4.496 4.480 4.519 . 0 0 "[ . 1 . 2]" 1
428 1 23 SER H 1 24 VAL MG1 . . 5.120 4.064 3.931 4.190 . 0 0 "[ . 1 . 2]" 1
429 1 23 SER H 1 63 ILE MG . . 4.450 4.263 4.076 4.401 . 0 0 "[ . 1 . 2]" 1
430 1 23 SER HA 1 24 VAL H . . 2.860 2.348 2.312 2.409 . 0 0 "[ . 1 . 2]" 1
431 1 23 SER HA 1 24 VAL MG1 . . 4.360 3.494 3.300 3.628 . 0 0 "[ . 1 . 2]" 1
432 1 23 SER HA 1 24 VAL MG2 . . 4.330 3.751 3.613 3.973 . 0 0 "[ . 1 . 2]" 1
433 1 23 SER HA 1 61 ARG HB2 . . 5.500 5.321 4.880 5.526 0.026 8 0 "[ . 1 . 2]" 1
434 1 23 SER HA 1 62 TRP H . . 5.420 5.105 4.972 5.243 . 0 0 "[ . 1 . 2]" 1
435 1 23 SER HA 1 62 TRP HA . . 5.500 5.395 5.343 5.501 0.001 15 0 "[ . 1 . 2]" 1
436 1 23 SER HA 1 63 ILE HA . . 3.600 2.222 2.085 2.451 . 0 0 "[ . 1 . 2]" 1
437 1 23 SER HA 1 64 PHE H . . 3.940 3.156 2.931 3.378 . 0 0 "[ . 1 . 2]" 1
438 1 23 SER QB 1 24 VAL H . . 3.370 3.360 3.272 3.410 0.040 5 0 "[ . 1 . 2]" 1
439 1 23 SER QB 1 63 ILE MD . . 4.440 3.623 3.443 3.846 . 0 0 "[ . 1 . 2]" 1
440 1 23 SER QB 1 63 ILE MG . . 4.210 2.014 1.897 2.153 . 0 0 "[ . 1 . 2]" 1
441 1 23 SER QB 1 64 PHE H . . 4.100 3.139 2.925 3.296 . 0 0 "[ . 1 . 2]" 1
442 1 23 SER HB2 1 24 VAL H . . 3.950 3.743 3.659 3.872 . 0 0 "[ . 1 . 2]" 1
443 1 23 SER HB2 1 64 PHE H . . 4.810 3.190 2.957 3.364 . 0 0 "[ . 1 . 2]" 1
444 1 23 SER HB3 1 24 VAL H . . 3.950 3.815 3.528 3.945 . 0 0 "[ . 1 . 2]" 1
445 1 23 SER HB3 1 64 PHE H . . 4.810 4.672 4.619 4.742 . 0 0 "[ . 1 . 2]" 1
446 1 24 VAL H 1 24 VAL MG1 . . 3.870 3.031 2.884 3.120 . 0 0 "[ . 1 . 2]" 1
447 1 24 VAL H 1 24 VAL MG2 . . 3.750 2.332 2.138 2.462 . 0 0 "[ . 1 . 2]" 1
448 1 24 VAL H 1 61 ARG HA . . 5.500 5.323 5.197 5.469 . 0 0 "[ . 1 . 2]" 1
449 1 24 VAL H 1 61 ARG HB3 . . 4.520 4.052 3.698 4.526 0.006 4 0 "[ . 1 . 2]" 1
450 1 24 VAL H 1 62 TRP H . . 3.380 3.283 3.161 3.388 0.008 10 0 "[ . 1 . 2]" 1
451 1 24 VAL H 1 62 TRP QB . . 3.950 3.138 2.966 3.322 . 0 0 "[ . 1 . 2]" 1
452 1 24 VAL H 1 63 ILE HA . . 4.050 3.617 3.478 3.747 . 0 0 "[ . 1 . 2]" 1
453 1 24 VAL H 1 63 ILE HG13 . . 4.700 4.541 4.380 4.668 . 0 0 "[ . 1 . 2]" 1
454 1 24 VAL H 1 64 PHE H . . 5.500 5.281 5.034 5.469 . 0 0 "[ . 1 . 2]" 1
455 1 24 VAL HA 1 24 VAL MG1 . . 3.350 2.332 2.268 2.432 . 0 0 "[ . 1 . 2]" 1
456 1 24 VAL HA 1 25 PRO HD2 . . 3.700 2.363 2.328 2.379 . 0 0 "[ . 1 . 2]" 1
457 1 24 VAL HA 1 25 PRO HD3 . . 3.700 2.286 2.276 2.292 . 0 0 "[ . 1 . 2]" 1
458 1 24 VAL HA 1 62 TRP H . . 5.490 5.246 5.109 5.363 . 0 0 "[ . 1 . 2]" 1
459 1 24 VAL HB 1 25 PRO HD2 . . 4.010 1.992 1.969 2.064 . 0 0 "[ . 1 . 2]" 1
460 1 24 VAL HB 1 25 PRO QD . . 3.430 1.980 1.957 2.050 . 0 0 "[ . 1 . 2]" 1
461 1 24 VAL HB 1 25 PRO HD3 . . 4.010 3.437 3.409 3.501 . 0 0 "[ . 1 . 2]" 1
462 1 24 VAL MG1 1 25 PRO HD2 . . 4.640 3.271 3.170 3.476 . 0 0 "[ . 1 . 2]" 1
463 1 24 VAL MG1 1 25 PRO QD . . 3.760 3.133 3.047 3.313 . 0 0 "[ . 1 . 2]" 1
464 1 24 VAL MG1 1 25 PRO HD3 . . 4.640 4.010 3.918 4.171 . 0 0 "[ . 1 . 2]" 1
465 1 24 VAL MG1 1 25 PRO QG . . 4.920 4.671 4.586 4.846 . 0 0 "[ . 1 . 2]" 1
466 1 24 VAL MG1 1 32 PHE QD . . 5.210 4.394 4.081 4.857 . 0 0 "[ . 1 . 2]" 1
467 1 24 VAL MG1 1 62 TRP H . . 5.500 5.170 4.874 5.287 . 0 0 "[ . 1 . 2]" 1
468 1 24 VAL MG1 1 81 THR MG . . 4.270 3.741 3.353 3.967 . 0 0 "[ . 1 . 2]" 1
469 1 24 VAL MG2 1 25 PRO HG2 . . 5.500 4.538 4.198 4.627 . 0 0 "[ . 1 . 2]" 1
470 1 24 VAL MG2 1 25 PRO QG . . 4.770 4.331 4.032 4.406 . 0 0 "[ . 1 . 2]" 1
471 1 24 VAL MG2 1 25 PRO HG3 . . 5.500 5.478 5.214 5.549 0.049 5 0 "[ . 1 . 2]" 1
472 1 24 VAL MG2 1 62 TRP H . . 3.710 2.937 2.781 3.064 . 0 0 "[ . 1 . 2]" 1
473 1 24 VAL MG2 1 62 TRP HB2 . . 4.120 1.960 1.828 2.067 . 0 0 "[ . 1 . 2]" 1
474 1 24 VAL MG2 1 62 TRP QB . . 3.350 1.948 1.815 2.054 . 0 0 "[ . 1 . 2]" 1
475 1 24 VAL MG2 1 62 TRP HB3 . . 4.120 3.401 3.105 3.614 . 0 0 "[ . 1 . 2]" 1
476 1 24 VAL MG2 1 62 TRP HD1 . . 3.840 2.385 1.971 2.814 . 0 0 "[ . 1 . 2]" 1
477 1 25 PRO HA 1 26 ASP H . . 2.710 2.151 2.150 2.153 . 0 0 "[ . 1 . 2]" 1
478 1 25 PRO HA 1 61 ARG HA . . 4.070 4.013 3.719 4.086 0.016 5 0 "[ . 1 . 2]" 1
479 1 25 PRO HA 1 61 ARG HB2 . . 4.490 4.129 3.403 4.505 0.015 13 0 "[ . 1 . 2]" 1
480 1 25 PRO HA 1 61 ARG HG2 . . 5.010 3.573 2.628 5.015 0.005 6 0 "[ . 1 . 2]" 1
481 1 25 PRO HA 1 61 ARG HG3 . . 5.010 4.178 3.647 4.995 . 0 0 "[ . 1 . 2]" 1
482 1 25 PRO HA 1 62 TRP H . . 4.430 4.383 4.279 4.452 0.022 8 0 "[ . 1 . 2]" 1
483 1 25 PRO HB2 1 26 ASP H . . 3.670 3.673 3.599 3.703 0.033 15 0 "[ . 1 . 2]" 1
484 1 25 PRO HB2 1 29 PHE QE . . 4.990 4.919 4.662 5.005 0.015 5 0 "[ . 1 . 2]" 1
485 1 25 PRO HB3 1 26 ASP H . . 4.160 4.097 4.045 4.118 . 0 0 "[ . 1 . 2]" 1
486 1 25 PRO HB3 1 61 ARG HB3 . . 5.040 4.727 4.258 4.983 . 0 0 "[ . 1 . 2]" 1
487 1 26 ASP H 1 26 ASP HB2 . . 3.190 2.785 2.645 2.911 . 0 0 "[ . 1 . 2]" 1
488 1 26 ASP H 1 26 ASP HB3 . . 3.190 2.400 2.257 2.530 . 0 0 "[ . 1 . 2]" 1
489 1 26 ASP H 1 61 ARG H . . 5.320 5.245 4.958 5.348 0.028 8 0 "[ . 1 . 2]" 1
490 1 26 ASP H 1 61 ARG HA . . 3.010 2.669 2.370 2.767 . 0 0 "[ . 1 . 2]" 1
491 1 26 ASP H 1 61 ARG HB2 . . 4.760 4.300 3.707 4.672 . 0 0 "[ . 1 . 2]" 1
492 1 26 ASP H 1 61 ARG HB3 . . 4.120 2.709 2.166 3.152 . 0 0 "[ . 1 . 2]" 1
493 1 26 ASP H 1 61 ARG QG . . 4.950 3.474 2.887 4.299 . 0 0 "[ . 1 . 2]" 1
494 1 26 ASP H 1 62 TRP H . . 3.960 3.774 3.646 3.886 . 0 0 "[ . 1 . 2]" 1
495 1 26 ASP H 1 62 TRP HD1 . . 4.350 3.560 3.332 3.782 . 0 0 "[ . 1 . 2]" 1
496 1 26 ASP H 1 62 TRP HE1 . . 4.550 4.418 4.168 4.553 0.003 13 0 "[ . 1 . 2]" 1
497 1 26 ASP HA 1 28 GLY H . . 3.760 3.447 3.066 3.747 . 0 0 "[ . 1 . 2]" 1
498 1 26 ASP HA 1 29 PHE H . . 4.290 3.646 3.349 4.132 . 0 0 "[ . 1 . 2]" 1
499 1 26 ASP HA 1 29 PHE QE . . 4.940 3.138 2.347 3.865 . 0 0 "[ . 1 . 2]" 1
500 1 26 ASP HA 1 62 TRP HD1 . . 3.560 2.777 2.294 3.087 . 0 0 "[ . 1 . 2]" 1
501 1 26 ASP HA 1 62 TRP HE1 . . 3.250 2.221 1.898 2.610 . 0 0 "[ . 1 . 2]" 1
502 1 26 ASP QB 1 29 PHE H . . 5.340 4.324 4.009 4.771 . 0 0 "[ . 1 . 2]" 1
503 1 26 ASP QB 1 61 ARG H . . 5.070 4.402 4.194 4.524 . 0 0 "[ . 1 . 2]" 1
504 1 26 ASP QB 1 61 ARG HA . . 4.100 2.159 1.944 2.365 . 0 0 "[ . 1 . 2]" 1
505 1 26 ASP QB 1 62 TRP H . . 4.460 3.113 2.883 3.611 . 0 0 "[ . 1 . 2]" 1
506 1 26 ASP QB 1 62 TRP HD1 . . 4.510 2.427 2.151 2.868 . 0 0 "[ . 1 . 2]" 1
507 1 26 ASP HB2 1 62 TRP HE1 . . 3.980 2.248 1.961 2.588 . 0 0 "[ . 1 . 2]" 1
508 1 26 ASP HB3 1 62 TRP HE1 . . 3.980 3.610 3.436 3.867 . 0 0 "[ . 1 . 2]" 1
509 1 27 GLU HA 1 27 GLU QG . . 3.480 2.246 2.020 2.689 . 0 0 "[ . 1 . 2]" 1
510 1 27 GLU HA 1 28 GLY H . . 3.410 3.103 2.794 3.431 0.021 14 0 "[ . 1 . 2]" 1
511 1 27 GLU HA 1 28 GLY QA . . 4.580 4.084 4.000 4.186 . 0 0 "[ . 1 . 2]" 1
512 1 27 GLU HA 1 29 PHE H . . 5.030 4.776 4.400 5.114 0.084 14 0 "[ . 1 . 2]" 1
513 1 27 GLU QB 1 28 GLY H . . 3.870 3.572 3.048 3.862 . 0 0 "[ . 1 . 2]" 1
514 1 27 GLU HB2 1 28 GLY H . . 4.530 4.065 3.583 4.452 . 0 0 "[ . 1 . 2]" 1
515 1 27 GLU HB3 1 28 GLY H . . 4.530 3.998 3.234 4.442 . 0 0 "[ . 1 . 2]" 1
516 1 28 GLY H 1 29 PHE H . . 2.890 1.968 1.763 2.277 . 0 0 "[ . 1 . 2]" 1
517 1 28 GLY H 1 29 PHE HA . . 5.120 4.611 4.206 4.925 . 0 0 "[ . 1 . 2]" 1
518 1 28 GLY H 1 29 PHE HB2 . . 4.480 4.155 3.776 4.473 . 0 0 "[ . 1 . 2]" 1
519 1 28 GLY H 1 29 PHE QD . . 4.450 3.273 2.494 3.883 . 0 0 "[ . 1 . 2]" 1
520 1 28 GLY H 1 62 TRP HE1 . . 4.240 3.914 3.670 4.182 . 0 0 "[ . 1 . 2]" 1
521 1 29 PHE H 1 29 PHE HB2 . . 3.430 2.492 2.345 2.677 . 0 0 "[ . 1 . 2]" 1
522 1 29 PHE H 1 29 PHE HB3 . . 3.710 3.595 3.574 3.627 . 0 0 "[ . 1 . 2]" 1
523 1 29 PHE H 1 29 PHE QD . . 3.790 2.512 2.118 3.027 . 0 0 "[ . 1 . 2]" 1
524 1 29 PHE H 1 30 SER H . . 4.710 4.614 4.582 4.641 . 0 0 "[ . 1 . 2]" 1
525 1 29 PHE H 1 62 TRP HE1 . . 3.580 3.216 3.009 3.450 . 0 0 "[ . 1 . 2]" 1
526 1 29 PHE H 1 62 TRP HZ2 . . 3.890 3.462 3.181 3.895 0.005 19 0 "[ . 1 . 2]" 1
527 1 29 PHE H 1 85 LYS HA . . 5.180 4.797 4.411 5.179 . 0 0 "[ . 1 . 2]" 1
528 1 29 PHE HA 1 29 PHE QD . . 3.780 2.716 2.275 2.986 . 0 0 "[ . 1 . 2]" 1
529 1 29 PHE HA 1 30 SER H . . 3.130 2.424 2.370 2.457 . 0 0 "[ . 1 . 2]" 1
530 1 29 PHE HA 1 30 SER HA . . 4.660 4.444 4.434 4.463 . 0 0 "[ . 1 . 2]" 1
531 1 29 PHE HA 1 31 LEU H . . 4.240 3.951 3.862 4.024 . 0 0 "[ . 1 . 2]" 1
532 1 29 PHE HA 1 85 LYS HA . . 3.950 2.202 1.999 2.526 . 0 0 "[ . 1 . 2]" 1
533 1 29 PHE HA 1 85 LYS QB . . 4.240 1.984 1.976 1.989 . 0 0 "[ . 1 . 2]" 1
534 1 29 PHE HB2 1 30 SER H . . 3.920 3.574 3.433 3.702 . 0 0 "[ . 1 . 2]" 1
535 1 29 PHE HB2 1 31 LEU H . . 4.020 3.930 3.690 4.035 0.015 3 0 "[ . 1 . 2]" 1
536 1 29 PHE HB2 1 62 TRP HE1 . . 3.920 2.261 1.898 2.836 . 0 0 "[ . 1 . 2]" 1
537 1 29 PHE HB2 1 84 ILE H . . 5.040 4.691 4.465 4.910 . 0 0 "[ . 1 . 2]" 1
538 1 29 PHE HB3 1 30 SER H . . 3.450 2.395 2.314 2.523 . 0 0 "[ . 1 . 2]" 1
539 1 29 PHE HB3 1 31 LEU H . . 3.260 2.655 2.497 2.828 . 0 0 "[ . 1 . 2]" 1
540 1 29 PHE HB3 1 62 TRP HE1 . . 4.640 3.935 3.458 4.529 . 0 0 "[ . 1 . 2]" 1
541 1 29 PHE HB3 1 83 VAL MG1 . . 4.350 2.981 2.209 3.577 . 0 0 "[ . 1 . 2]" 1
542 1 29 PHE HB3 1 84 ILE H . . 4.110 2.964 2.764 3.226 . 0 0 "[ . 1 . 2]" 1
543 1 29 PHE HB3 1 85 LYS H . . 5.250 4.992 4.673 5.274 0.024 19 0 "[ . 1 . 2]" 1
544 1 29 PHE QD 1 30 SER H . . 4.260 3.644 3.208 3.972 . 0 0 "[ . 1 . 2]" 1
545 1 29 PHE QD 1 31 LEU H . . 4.610 4.267 3.958 4.607 . 0 0 "[ . 1 . 2]" 1
546 1 29 PHE QD 1 62 TRP HD1 . . 5.090 3.735 3.402 4.149 . 0 0 "[ . 1 . 2]" 1
547 1 29 PHE QD 1 62 TRP HE1 . . 3.790 2.278 1.937 2.651 . 0 0 "[ . 1 . 2]" 1
548 1 29 PHE QD 1 83 VAL MG1 . . 4.110 2.982 2.602 3.440 . 0 0 "[ . 1 . 2]" 1
549 1 29 PHE QD 1 85 LYS QB . . 3.870 2.204 2.009 2.382 . 0 0 "[ . 1 . 2]" 1
550 1 29 PHE QE 1 62 TRP HE1 . . 4.950 4.435 3.889 4.960 0.010 19 0 "[ . 1 . 2]" 1
551 1 29 PHE QE 1 83 VAL MG2 . . 4.500 2.510 2.043 3.136 . 0 0 "[ . 1 . 2]" 1
552 1 29 PHE HZ 1 83 VAL MG2 . . 4.430 3.570 2.900 4.298 . 0 0 "[ . 1 . 2]" 1
553 1 30 SER H 1 30 SER HB2 . . 3.850 3.168 3.019 3.287 . 0 0 "[ . 1 . 2]" 1
554 1 30 SER H 1 30 SER HB3 . . 3.850 2.688 2.565 2.833 . 0 0 "[ . 1 . 2]" 1
555 1 30 SER H 1 31 LEU H . . 2.770 1.787 1.768 1.801 . 0 0 "[ . 1 . 2]" 1
556 1 30 SER H 1 31 LEU HA . . 4.650 4.539 4.510 4.556 . 0 0 "[ . 1 . 2]" 1
557 1 30 SER H 1 31 LEU HB2 . . 5.400 5.072 4.991 5.190 . 0 0 "[ . 1 . 2]" 1
558 1 30 SER H 1 31 LEU QD . . 4.370 4.377 4.293 4.415 0.045 18 0 "[ . 1 . 2]" 1
559 1 30 SER H 1 84 ILE H . . 4.010 3.185 3.074 3.241 . 0 0 "[ . 1 . 2]" 1
560 1 30 SER H 1 84 ILE HB . . 3.920 3.510 3.367 3.731 . 0 0 "[ . 1 . 2]" 1
561 1 30 SER H 1 84 ILE MG . . 4.240 3.912 3.604 4.141 . 0 0 "[ . 1 . 2]" 1
562 1 30 SER H 1 85 LYS H . . 4.610 4.557 4.394 4.611 0.001 3 0 "[ . 1 . 2]" 1
563 1 30 SER H 1 85 LYS HA . . 3.960 3.112 2.979 3.253 . 0 0 "[ . 1 . 2]" 1
564 1 30 SER QB 1 84 ILE MG . . 4.290 2.927 2.448 3.284 . 0 0 "[ . 1 . 2]" 1
565 1 30 SER QB 1 85 LYS HA . . 3.790 3.546 3.235 3.758 . 0 0 "[ . 1 . 2]" 1
566 1 30 SER QB 1 87 GLY H . . 5.150 4.251 3.768 4.486 . 0 0 "[ . 1 . 2]" 1
567 1 30 SER HB2 1 31 LEU H . . 4.280 4.275 4.173 4.303 0.023 17 0 "[ . 1 . 2]" 1
568 1 30 SER HB2 1 85 LYS HA . . 4.370 3.977 3.446 4.234 . 0 0 "[ . 1 . 2]" 1
569 1 30 SER HB3 1 31 LEU H . . 4.280 3.352 3.219 3.517 . 0 0 "[ . 1 . 2]" 1
570 1 30 SER HB3 1 85 LYS HA . . 4.370 4.010 3.623 4.308 . 0 0 "[ . 1 . 2]" 1
571 1 31 LEU H 1 31 LEU HB2 . . 3.800 3.685 3.641 3.775 . 0 0 "[ . 1 . 2]" 1
572 1 31 LEU H 1 31 LEU HB3 . . 3.850 2.823 2.761 2.973 . 0 0 "[ . 1 . 2]" 1
573 1 31 LEU H 1 31 LEU MD1 . . 4.380 3.377 3.248 3.483 . 0 0 "[ . 1 . 2]" 1
574 1 31 LEU H 1 31 LEU MD2 . . 4.380 4.255 4.216 4.276 . 0 0 "[ . 1 . 2]" 1
575 1 31 LEU H 1 32 PHE H . . 4.280 4.249 4.162 4.285 0.005 8 0 "[ . 1 . 2]" 1
576 1 31 LEU H 1 83 VAL HA . . 4.500 4.342 4.306 4.381 . 0 0 "[ . 1 . 2]" 1
577 1 31 LEU H 1 84 ILE HB . . 3.600 3.135 2.861 3.378 . 0 0 "[ . 1 . 2]" 1
578 1 31 LEU H 1 84 ILE MD . . 4.880 4.618 4.265 4.802 . 0 0 "[ . 1 . 2]" 1
579 1 31 LEU H 1 84 ILE HG13 . . 5.050 4.773 4.578 4.992 . 0 0 "[ . 1 . 2]" 1
580 1 31 LEU H 1 84 ILE MG . . 4.570 4.297 4.019 4.506 . 0 0 "[ . 1 . 2]" 1
581 1 31 LEU H 1 85 LYS H . . 5.500 5.525 5.502 5.550 0.050 19 0 "[ . 1 . 2]" 1
582 1 31 LEU HA 1 31 LEU MD1 . . 4.350 3.455 3.425 3.497 . 0 0 "[ . 1 . 2]" 1
583 1 31 LEU HA 1 31 LEU QD . . 3.410 2.173 2.141 2.237 . 0 0 "[ . 1 . 2]" 1
584 1 31 LEU HA 1 31 LEU MD2 . . 4.350 2.196 2.162 2.264 . 0 0 "[ . 1 . 2]" 1
585 1 31 LEU HA 1 31 LEU HG . . 3.990 3.925 3.909 3.955 . 0 0 "[ . 1 . 2]" 1
586 1 31 LEU HA 1 32 PHE H . . 2.780 2.210 2.186 2.228 . 0 0 "[ . 1 . 2]" 1
587 1 31 LEU HA 1 32 PHE HA . . 4.520 4.423 4.411 4.435 . 0 0 "[ . 1 . 2]" 1
588 1 31 LEU HA 1 32 PHE QB . . 4.330 3.959 3.886 3.993 . 0 0 "[ . 1 . 2]" 1
589 1 31 LEU HA 1 55 THR HA . . 3.850 2.533 2.162 2.890 . 0 0 "[ . 1 . 2]" 1
590 1 31 LEU HA 1 56 LYS H . . 4.360 4.339 4.282 4.375 0.015 14 0 "[ . 1 . 2]" 1
591 1 31 LEU HA 1 56 LYS HA . . 5.500 5.308 5.193 5.432 . 0 0 "[ . 1 . 2]" 1
592 1 31 LEU HA 1 84 ILE HB . . 4.840 4.666 4.552 4.752 . 0 0 "[ . 1 . 2]" 1
593 1 31 LEU HB2 1 32 PHE H . . 4.210 3.756 3.730 3.778 . 0 0 "[ . 1 . 2]" 1
594 1 31 LEU HB2 1 84 ILE H . . 5.500 5.293 5.100 5.483 . 0 0 "[ . 1 . 2]" 1
595 1 31 LEU HB2 1 84 ILE HB . . 4.080 3.719 3.647 3.885 . 0 0 "[ . 1 . 2]" 1
596 1 31 LEU HB3 1 31 LEU MD1 . . 3.640 2.169 2.160 2.181 . 0 0 "[ . 1 . 2]" 1
597 1 31 LEU HB3 1 31 LEU MD2 . . 3.640 3.177 3.176 3.178 . 0 0 "[ . 1 . 2]" 1
598 1 31 LEU HB3 1 32 PHE H . . 4.360 4.237 4.187 4.304 . 0 0 "[ . 1 . 2]" 1
599 1 31 LEU HB3 1 84 ILE H . . 4.270 3.742 3.515 3.977 . 0 0 "[ . 1 . 2]" 1
600 1 31 LEU HB3 1 84 ILE HB . . 4.310 2.022 1.990 2.149 . 0 0 "[ . 1 . 2]" 1
601 1 31 LEU HB3 1 84 ILE MD . . 3.930 2.328 2.071 2.596 . 0 0 "[ . 1 . 2]" 1
602 1 31 LEU HB3 1 84 ILE MG . . 4.410 3.440 3.291 3.554 . 0 0 "[ . 1 . 2]" 1
603 1 31 LEU QD 1 32 PHE H . . 3.300 1.759 1.721 1.808 . 0 0 "[ . 1 . 2]" 1
604 1 31 LEU QD 1 32 PHE HA . . 4.580 2.350 2.288 2.448 . 0 0 "[ . 1 . 2]" 1
605 1 31 LEU QD 1 33 ALA H . . 3.840 3.216 3.054 3.331 . 0 0 "[ . 1 . 2]" 1
606 1 31 LEU QD 1 33 ALA MB . . 3.510 2.804 2.666 2.913 . 0 0 "[ . 1 . 2]" 1
607 1 31 LEU QD 1 53 ASP HA . . 3.940 3.571 3.344 3.755 . 0 0 "[ . 1 . 2]" 1
608 1 31 LEU QD 1 53 ASP QB . . 3.480 3.152 2.583 3.486 0.006 9 0 "[ . 1 . 2]" 1
609 1 31 LEU QD 1 54 ILE H . . 4.570 3.453 3.279 3.767 . 0 0 "[ . 1 . 2]" 1
610 1 31 LEU QD 1 55 THR HA . . 4.120 2.724 2.467 2.942 . 0 0 "[ . 1 . 2]" 1
611 1 31 LEU QD 1 55 THR MG . . 3.280 2.425 1.911 2.866 . 0 0 "[ . 1 . 2]" 1
612 1 31 LEU QD 1 83 VAL HA . . 4.310 2.294 2.026 2.541 . 0 0 "[ . 1 . 2]" 1
613 1 31 LEU QD 1 84 ILE H . . 3.550 2.750 2.569 2.856 . 0 0 "[ . 1 . 2]" 1
614 1 31 LEU QD 1 84 ILE HG12 . . 3.370 3.329 3.228 3.379 0.009 6 0 "[ . 1 . 2]" 1
615 1 31 LEU QD 1 84 ILE HG13 . . 4.370 1.904 1.848 1.955 . 0 0 "[ . 1 . 2]" 1
616 1 31 LEU MD1 1 32 PHE H . . 3.840 3.008 2.858 3.239 . 0 0 "[ . 1 . 2]" 1
617 1 31 LEU MD1 1 33 ALA H . . 4.600 3.479 3.241 3.657 . 0 0 "[ . 1 . 2]" 1
618 1 31 LEU MD1 1 54 ILE H . . 5.300 5.111 4.917 5.314 0.014 7 0 "[ . 1 . 2]" 1
619 1 31 LEU MD1 1 55 THR HA . . 5.500 5.092 4.826 5.315 . 0 0 "[ . 1 . 2]" 1
620 1 31 LEU MD1 1 84 ILE H . . 5.020 2.763 2.578 2.872 . 0 0 "[ . 1 . 2]" 1
621 1 31 LEU MD2 1 32 PHE H . . 3.840 1.771 1.735 1.818 . 0 0 "[ . 1 . 2]" 1
622 1 31 LEU MD2 1 33 ALA H . . 4.600 3.793 3.649 3.891 . 0 0 "[ . 1 . 2]" 1
623 1 31 LEU MD2 1 54 ILE H . . 5.300 3.512 3.324 3.853 . 0 0 "[ . 1 . 2]" 1
624 1 31 LEU MD2 1 55 THR HA . . 5.500 2.735 2.474 2.957 . 0 0 "[ . 1 . 2]" 1
625 1 31 LEU MD2 1 84 ILE H . . 5.020 4.998 4.898 5.037 0.017 3 0 "[ . 1 . 2]" 1
626 1 31 LEU HG 1 32 PHE H . . 4.350 4.225 4.141 4.341 . 0 0 "[ . 1 . 2]" 1
627 1 32 PHE H 1 32 PHE HB2 . . 3.670 3.040 2.713 3.304 . 0 0 "[ . 1 . 2]" 1
628 1 32 PHE H 1 32 PHE QB . . 3.190 2.613 2.583 2.638 . 0 0 "[ . 1 . 2]" 1
629 1 32 PHE H 1 32 PHE HB3 . . 3.670 2.932 2.759 3.285 . 0 0 "[ . 1 . 2]" 1
630 1 32 PHE H 1 32 PHE QD . . 4.600 4.371 4.354 4.386 . 0 0 "[ . 1 . 2]" 1
631 1 32 PHE H 1 33 ALA H . . 4.570 4.400 4.334 4.432 . 0 0 "[ . 1 . 2]" 1
632 1 32 PHE H 1 33 ALA MB . . 5.230 4.756 4.612 4.876 . 0 0 "[ . 1 . 2]" 1
633 1 32 PHE H 1 54 ILE H . . 3.790 3.538 3.353 3.783 . 0 0 "[ . 1 . 2]" 1
634 1 32 PHE H 1 54 ILE HB . . 3.850 3.506 3.236 3.718 . 0 0 "[ . 1 . 2]" 1
635 1 32 PHE H 1 55 THR HA . . 3.930 3.288 2.952 3.542 . 0 0 "[ . 1 . 2]" 1
636 1 32 PHE H 1 55 THR MG . . 4.620 3.879 3.346 4.267 . 0 0 "[ . 1 . 2]" 1
637 1 32 PHE H 1 62 TRP HE3 . . 4.580 4.128 3.728 4.481 . 0 0 "[ . 1 . 2]" 1
638 1 32 PHE H 1 62 TRP HZ3 . . 3.820 3.436 3.131 3.707 . 0 0 "[ . 1 . 2]" 1
639 1 32 PHE H 1 83 VAL HA . . 5.120 4.713 4.490 4.934 . 0 0 "[ . 1 . 2]" 1
640 1 32 PHE HA 1 32 PHE QD . . 4.130 2.264 1.972 2.839 . 0 0 "[ . 1 . 2]" 1
641 1 32 PHE HA 1 33 ALA H . . 2.920 2.255 2.201 2.297 . 0 0 "[ . 1 . 2]" 1
642 1 32 PHE HA 1 33 ALA MB . . 4.350 3.826 3.768 3.904 . 0 0 "[ . 1 . 2]" 1
643 1 32 PHE HA 1 82 PHE H . . 4.990 4.772 4.555 4.947 . 0 0 "[ . 1 . 2]" 1
644 1 32 PHE HA 1 83 VAL HA . . 3.860 2.530 2.408 2.654 . 0 0 "[ . 1 . 2]" 1
645 1 32 PHE HA 1 83 VAL HB . . 4.860 4.616 4.030 4.875 0.015 2 0 "[ . 1 . 2]" 1
646 1 32 PHE HA 1 83 VAL MG1 . . 4.180 2.286 1.968 2.633 . 0 0 "[ . 1 . 2]" 1
647 1 32 PHE HA 1 84 ILE H . . 4.320 4.311 4.263 4.346 0.026 11 0 "[ . 1 . 2]" 1
648 1 32 PHE QB 1 33 ALA H . . 3.860 3.419 3.140 3.619 . 0 0 "[ . 1 . 2]" 1
649 1 32 PHE QB 1 54 ILE H . . 4.600 3.146 2.734 3.424 . 0 0 "[ . 1 . 2]" 1
650 1 32 PHE QB 1 54 ILE HB . . 3.840 2.080 1.899 2.328 . 0 0 "[ . 1 . 2]" 1
651 1 32 PHE QB 1 54 ILE HG12 . . 4.240 3.607 2.794 4.002 . 0 0 "[ . 1 . 2]" 1
652 1 32 PHE QB 1 62 TRP QB . . 4.730 2.899 2.631 3.304 . 0 0 "[ . 1 . 2]" 1
653 1 32 PHE QB 1 62 TRP HE3 . . 3.690 2.566 2.369 2.770 . 0 0 "[ . 1 . 2]" 1
654 1 32 PHE QB 1 83 VAL MG1 . . 3.690 2.939 2.514 3.284 . 0 0 "[ . 1 . 2]" 1
655 1 32 PHE HB2 1 33 ALA H . . 4.410 4.098 3.968 4.295 . 0 0 "[ . 1 . 2]" 1
656 1 32 PHE HB2 1 54 ILE HB . . 4.400 3.339 2.387 3.888 . 0 0 "[ . 1 . 2]" 1
657 1 32 PHE HB2 1 62 TRP HE3 . . 4.390 3.009 2.428 3.359 . 0 0 "[ . 1 . 2]" 1
658 1 32 PHE HB2 1 83 VAL MG1 . . 4.380 3.027 2.548 3.474 . 0 0 "[ . 1 . 2]" 1
659 1 32 PHE HB3 1 33 ALA H . . 4.410 3.699 3.242 4.067 . 0 0 "[ . 1 . 2]" 1
660 1 32 PHE HB3 1 54 ILE HB . . 4.400 2.120 1.995 2.351 . 0 0 "[ . 1 . 2]" 1
661 1 32 PHE HB3 1 62 TRP HE3 . . 4.390 2.952 2.531 3.542 . 0 0 "[ . 1 . 2]" 1
662 1 32 PHE HB3 1 83 VAL MG1 . . 4.380 4.092 3.857 4.343 . 0 0 "[ . 1 . 2]" 1
663 1 32 PHE QD 1 33 ALA H . . 3.790 2.216 1.887 2.594 . 0 0 "[ . 1 . 2]" 1
664 1 32 PHE QD 1 33 ALA MB . . 4.570 4.211 3.996 4.408 . 0 0 "[ . 1 . 2]" 1
665 1 32 PHE QD 1 54 ILE HB . . 3.980 3.299 2.459 4.000 0.020 15 0 "[ . 1 . 2]" 1
666 1 32 PHE QD 1 54 ILE HG13 . . 4.990 3.461 2.525 4.841 . 0 0 "[ . 1 . 2]" 1
667 1 32 PHE QD 1 54 ILE MG . . 5.170 4.117 3.392 4.571 . 0 0 "[ . 1 . 2]" 1
668 1 32 PHE QD 1 62 TRP HA . . 5.080 4.770 4.170 5.101 0.021 15 0 "[ . 1 . 2]" 1
669 1 32 PHE QD 1 81 THR MG . . 5.340 4.104 3.496 4.477 . 0 0 "[ . 1 . 2]" 1
670 1 32 PHE QD 1 82 PHE H . . 4.360 3.994 3.571 4.366 0.006 4 0 "[ . 1 . 2]" 1
671 1 32 PHE QD 1 83 VAL MG1 . . 4.050 2.024 1.766 2.679 . 0 0 "[ . 1 . 2]" 1
672 1 32 PHE QD 1 83 VAL MG2 . . 4.040 3.853 3.500 4.046 0.006 1 0 "[ . 1 . 2]" 1
673 1 32 PHE QE 1 81 THR H . . 5.500 5.389 4.942 5.525 0.025 7 0 "[ . 1 . 2]" 1
674 1 32 PHE QE 1 81 THR HA . . 4.680 4.443 4.187 4.538 . 0 0 "[ . 1 . 2]" 1
675 1 32 PHE QE 1 81 THR HB . . 4.210 1.999 1.981 2.031 . 0 0 "[ . 1 . 2]" 1
676 1 32 PHE QE 1 81 THR MG . . 3.490 2.794 2.217 3.108 . 0 0 "[ . 1 . 2]" 1
677 1 32 PHE QE 1 82 PHE H . . 4.730 3.912 3.363 4.288 . 0 0 "[ . 1 . 2]" 1
678 1 32 PHE HZ 1 81 THR MG . . 4.480 3.041 2.175 4.499 0.019 7 0 "[ . 1 . 2]" 1
679 1 32 PHE HZ 1 83 VAL MG1 . . 4.870 4.200 2.982 4.879 0.009 13 0 "[ . 1 . 2]" 1
680 1 33 ALA H 1 33 ALA MB . . 3.410 2.539 2.428 2.652 . 0 0 "[ . 1 . 2]" 1
681 1 33 ALA H 1 34 PHE H . . 4.560 4.402 4.213 4.475 . 0 0 "[ . 1 . 2]" 1
682 1 33 ALA H 1 53 ASP HA . . 4.640 4.640 4.531 4.678 0.038 3 0 "[ . 1 . 2]" 1
683 1 33 ALA H 1 81 THR HA . . 4.900 4.817 4.681 4.930 0.030 18 0 "[ . 1 . 2]" 1
684 1 33 ALA H 1 81 THR HB . . 4.320 3.838 3.581 4.023 . 0 0 "[ . 1 . 2]" 1
685 1 33 ALA H 1 81 THR MG . . 4.400 4.251 4.145 4.353 . 0 0 "[ . 1 . 2]" 1
686 1 33 ALA H 1 82 PHE H . . 3.350 3.005 2.805 3.169 . 0 0 "[ . 1 . 2]" 1
687 1 33 ALA H 1 82 PHE HB2 . . 4.550 4.508 4.312 4.558 0.008 8 0 "[ . 1 . 2]" 1
688 1 33 ALA H 1 82 PHE QB . . 3.980 3.776 3.491 3.927 . 0 0 "[ . 1 . 2]" 1
689 1 33 ALA H 1 82 PHE HB3 . . 4.550 4.061 3.637 4.287 . 0 0 "[ . 1 . 2]" 1
690 1 33 ALA H 1 83 VAL HA . . 4.070 3.888 3.611 4.063 . 0 0 "[ . 1 . 2]" 1
691 1 33 ALA H 1 83 VAL MG1 . . 4.150 3.478 3.111 3.779 . 0 0 "[ . 1 . 2]" 1
692 1 33 ALA HA 1 34 PHE H . . 2.730 2.299 2.144 2.413 . 0 0 "[ . 1 . 2]" 1
693 1 33 ALA HA 1 52 ARG H . . 4.820 4.729 4.376 4.823 0.003 13 0 "[ . 1 . 2]" 1
694 1 33 ALA HA 1 53 ASP H . . 4.690 4.637 4.560 4.697 0.007 1 0 "[ . 1 . 2]" 1
695 1 33 ALA HA 1 53 ASP HA . . 3.650 2.017 1.982 2.190 . 0 0 "[ . 1 . 2]" 1
696 1 33 ALA HA 1 54 ILE H . . 3.840 3.007 2.836 3.239 . 0 0 "[ . 1 . 2]" 1
697 1 33 ALA MB 1 34 PHE H . . 3.320 2.714 2.348 3.198 . 0 0 "[ . 1 . 2]" 1
698 1 33 ALA MB 1 34 PHE HA . . 4.590 3.940 3.789 4.137 . 0 0 "[ . 1 . 2]" 1
699 1 33 ALA MB 1 35 HIS H . . 4.890 4.656 4.359 4.889 . 0 0 "[ . 1 . 2]" 1
700 1 33 ALA MB 1 52 ARG H . . 4.750 4.479 4.180 4.691 . 0 0 "[ . 1 . 2]" 1
701 1 33 ALA MB 1 53 ASP H . . 5.500 5.223 5.089 5.401 . 0 0 "[ . 1 . 2]" 1
702 1 33 ALA MB 1 53 ASP HA . . 3.650 3.104 2.942 3.405 . 0 0 "[ . 1 . 2]" 1
703 1 33 ALA MB 1 53 ASP QB . . 4.460 3.456 2.707 4.103 . 0 0 "[ . 1 . 2]" 1
704 1 33 ALA MB 1 54 ILE H . . 4.610 4.298 4.128 4.541 . 0 0 "[ . 1 . 2]" 1
705 1 33 ALA MB 1 82 PHE H . . 3.690 2.648 2.118 2.904 . 0 0 "[ . 1 . 2]" 1
706 1 33 ALA MB 1 82 PHE HB2 . . 3.960 2.590 2.344 2.854 . 0 0 "[ . 1 . 2]" 1
707 1 33 ALA MB 1 82 PHE QB . . 3.200 2.255 1.966 2.471 . 0 0 "[ . 1 . 2]" 1
708 1 33 ALA MB 1 82 PHE HB3 . . 3.960 2.512 2.019 2.757 . 0 0 "[ . 1 . 2]" 1
709 1 33 ALA MB 1 83 VAL H . . 5.280 4.977 4.823 5.208 . 0 0 "[ . 1 . 2]" 1
710 1 33 ALA MB 1 83 VAL HA . . 4.680 4.569 4.390 4.698 0.018 17 0 "[ . 1 . 2]" 1
711 1 34 PHE H 1 34 PHE HB2 . . 3.790 2.943 2.452 3.366 . 0 0 "[ . 1 . 2]" 1
712 1 34 PHE H 1 34 PHE QB . . 3.130 2.623 2.417 2.744 . 0 0 "[ . 1 . 2]" 1
713 1 34 PHE H 1 34 PHE HB3 . . 3.790 3.263 2.690 3.829 0.039 4 0 "[ . 1 . 2]" 1
714 1 34 PHE H 1 35 HIS H . . 4.480 4.185 3.964 4.332 . 0 0 "[ . 1 . 2]" 1
715 1 34 PHE H 1 52 ARG H . . 3.360 2.975 2.740 3.297 . 0 0 "[ . 1 . 2]" 1
716 1 34 PHE H 1 52 ARG QB . . 4.430 3.587 2.989 3.832 . 0 0 "[ . 1 . 2]" 1
717 1 34 PHE H 1 53 ASP HA . . 3.520 3.406 2.980 3.537 0.017 14 0 "[ . 1 . 2]" 1
718 1 34 PHE H 1 54 ILE H . . 4.830 4.643 4.076 4.842 0.012 6 0 "[ . 1 . 2]" 1
719 1 34 PHE H 1 81 THR MG . . 4.790 4.531 4.240 4.731 . 0 0 "[ . 1 . 2]" 1
720 1 34 PHE HA 1 35 HIS H . . 2.840 2.146 2.139 2.167 . 0 0 "[ . 1 . 2]" 1
721 1 34 PHE HA 1 52 ARG H . . 5.220 4.950 4.738 5.222 0.002 14 0 "[ . 1 . 2]" 1
722 1 34 PHE HA 1 81 THR HA . . 3.970 3.465 3.276 3.648 . 0 0 "[ . 1 . 2]" 1
723 1 34 PHE HA 1 81 THR MG . . 3.960 2.261 2.027 2.524 . 0 0 "[ . 1 . 2]" 1
724 1 34 PHE HA 1 82 PHE H . . 4.470 4.335 4.192 4.466 . 0 0 "[ . 1 . 2]" 1
725 1 34 PHE QE 1 81 THR MG . . 4.370 4.054 3.549 4.353 . 0 0 "[ . 1 . 2]" 1
726 1 35 HIS H 1 35 HIS HB2 . . 3.780 2.808 2.715 2.945 . 0 0 "[ . 1 . 2]" 1
727 1 35 HIS H 1 35 HIS QB . . 3.180 2.709 2.604 2.784 . 0 0 "[ . 1 . 2]" 1
728 1 35 HIS H 1 35 HIS HB3 . . 3.780 3.598 3.238 3.826 0.046 5 0 "[ . 1 . 2]" 1
729 1 35 HIS H 1 36 GLY H . . 4.190 3.577 3.367 3.766 . 0 0 "[ . 1 . 2]" 1
730 1 35 HIS H 1 42 MET ME . . 4.970 4.816 4.481 4.974 0.004 19 0 "[ . 1 . 2]" 1
731 1 35 HIS H 1 50 TRP QB . . 5.340 4.724 4.440 4.913 . 0 0 "[ . 1 . 2]" 1
732 1 35 HIS H 1 52 ARG H . . 5.460 5.241 5.024 5.383 . 0 0 "[ . 1 . 2]" 1
733 1 35 HIS H 1 80 TRP H . . 4.460 4.457 4.409 4.485 0.025 17 0 "[ . 1 . 2]" 1
734 1 35 HIS H 1 81 THR HA . . 3.760 3.591 3.339 3.763 0.003 12 0 "[ . 1 . 2]" 1
735 1 35 HIS H 1 81 THR HB . . 5.500 5.412 5.192 5.518 0.018 15 0 "[ . 1 . 2]" 1
736 1 35 HIS H 1 81 THR MG . . 3.900 3.132 2.934 3.346 . 0 0 "[ . 1 . 2]" 1
737 1 35 HIS H 1 82 PHE H . . 5.340 5.162 4.926 5.346 0.006 17 0 "[ . 1 . 2]" 1
738 1 35 HIS HA 1 36 GLY H . . 2.840 2.248 2.219 2.309 . 0 0 "[ . 1 . 2]" 1
739 1 35 HIS HA 1 50 TRP H . . 4.620 4.457 4.285 4.625 0.005 3 0 "[ . 1 . 2]" 1
740 1 35 HIS HA 1 52 ARG H . . 4.440 4.237 4.066 4.428 . 0 0 "[ . 1 . 2]" 1
741 1 35 HIS QB 1 36 GLY H . . 4.050 3.840 3.757 3.925 . 0 0 "[ . 1 . 2]" 1
742 1 35 HIS QB 1 52 ARG H . . 5.170 4.727 4.005 5.189 0.019 3 0 "[ . 1 . 2]" 1
743 1 35 HIS QB 1 80 TRP H . . 5.060 4.425 4.185 4.663 . 0 0 "[ . 1 . 2]" 1
744 1 35 HIS HB2 1 36 GLY H . . 4.840 4.634 4.562 4.672 . 0 0 "[ . 1 . 2]" 1
745 1 35 HIS HB3 1 36 GLY H . . 4.840 4.099 3.998 4.228 . 0 0 "[ . 1 . 2]" 1
746 1 35 HIS HE1 1 47 ALA HA . . 4.750 4.247 3.432 4.745 . 0 0 "[ . 1 . 2]" 1
747 1 35 HIS HE1 1 47 ALA MB . . 3.890 2.492 2.014 3.028 . 0 0 "[ . 1 . 2]" 1
748 1 35 HIS HE1 1 51 SER HA . . 4.130 3.512 2.933 4.123 . 0 0 "[ . 1 . 2]" 1
749 1 35 HIS HE1 1 51 SER QB . . 4.210 2.158 1.839 2.536 . 0 0 "[ . 1 . 2]" 1
750 1 36 GLY H 1 37 LYS H . . 4.560 4.402 4.379 4.427 . 0 0 "[ . 1 . 2]" 1
751 1 36 GLY H 1 42 MET ME . . 4.040 3.953 3.763 4.061 0.021 20 0 "[ . 1 . 2]" 1
752 1 36 GLY H 1 49 HIS H . . 4.550 4.055 3.612 4.269 . 0 0 "[ . 1 . 2]" 1
753 1 36 GLY H 1 50 TRP H . . 3.440 3.321 3.142 3.434 . 0 0 "[ . 1 . 2]" 1
754 1 36 GLY H 1 50 TRP QB . . 3.480 2.115 1.904 2.460 . 0 0 "[ . 1 . 2]" 1
755 1 36 GLY H 1 50 TRP HE3 . . 4.510 2.579 2.292 3.084 . 0 0 "[ . 1 . 2]" 1
756 1 36 GLY H 1 79 PHE HB2 . . 4.620 4.260 4.178 4.350 . 0 0 "[ . 1 . 2]" 1
757 1 36 GLY QA 1 37 LYS H . . 2.870 2.280 2.273 2.282 . 0 0 "[ . 1 . 2]" 1
758 1 36 GLY QA 1 42 MET ME . . 3.140 1.967 1.871 2.080 . 0 0 "[ . 1 . 2]" 1
759 1 36 GLY QA 1 50 TRP H . . 5.050 4.362 4.254 4.472 . 0 0 "[ . 1 . 2]" 1
760 1 36 GLY QA 1 50 TRP HE3 . . 4.440 2.743 2.588 2.975 . 0 0 "[ . 1 . 2]" 1
761 1 36 GLY QA 1 77 ILE MG . . 5.030 3.647 3.509 3.758 . 0 0 "[ . 1 . 2]" 1
762 1 36 GLY QA 1 79 PHE HA . . 3.780 3.628 3.538 3.702 . 0 0 "[ . 1 . 2]" 1
763 1 36 GLY QA 1 79 PHE HB3 . . 4.320 1.976 1.862 2.120 . 0 0 "[ . 1 . 2]" 1
764 1 36 GLY QA 1 80 TRP H . . 3.760 3.556 3.432 3.655 . 0 0 "[ . 1 . 2]" 1
765 1 36 GLY HA2 1 37 LYS H . . 3.330 2.566 2.470 2.633 . 0 0 "[ . 1 . 2]" 1
766 1 36 GLY HA2 1 42 MET ME . . 3.860 1.979 1.881 2.096 . 0 0 "[ . 1 . 2]" 1
767 1 36 GLY HA2 1 79 PHE HA . . 4.610 3.831 3.737 3.933 . 0 0 "[ . 1 . 2]" 1
768 1 36 GLY HA2 1 79 PHE HB2 . . 4.550 1.996 1.978 2.043 . 0 0 "[ . 1 . 2]" 1
769 1 36 GLY HA2 1 80 TRP H . . 4.470 3.841 3.751 3.936 . 0 0 "[ . 1 . 2]" 1
770 1 36 GLY HA3 1 37 LYS H . . 3.330 2.558 2.493 2.658 . 0 0 "[ . 1 . 2]" 1
771 1 36 GLY HA3 1 42 MET ME . . 3.860 3.427 3.309 3.547 . 0 0 "[ . 1 . 2]" 1
772 1 36 GLY HA3 1 79 PHE HA . . 4.610 4.497 4.323 4.629 0.019 3 0 "[ . 1 . 2]" 1
773 1 36 GLY HA3 1 79 PHE HB2 . . 4.550 2.527 2.298 2.752 . 0 0 "[ . 1 . 2]" 1
774 1 36 GLY HA3 1 80 TRP H . . 4.470 4.197 3.976 4.412 . 0 0 "[ . 1 . 2]" 1
775 1 37 LYS H 1 37 LYS HB2 . . 3.940 2.916 2.827 2.969 . 0 0 "[ . 1 . 2]" 1
776 1 37 LYS H 1 37 LYS QD . . 4.440 3.305 2.970 3.684 . 0 0 "[ . 1 . 2]" 1
777 1 37 LYS H 1 37 LYS QE . . 5.360 4.791 4.606 5.070 . 0 0 "[ . 1 . 2]" 1
778 1 37 LYS H 1 37 LYS HG2 . . 4.540 4.182 4.023 4.377 . 0 0 "[ . 1 . 2]" 1
779 1 37 LYS H 1 37 LYS QG . . 3.970 2.696 2.536 2.958 . 0 0 "[ . 1 . 2]" 1
780 1 37 LYS H 1 37 LYS HG3 . . 4.540 2.730 2.564 3.007 . 0 0 "[ . 1 . 2]" 1
781 1 37 LYS H 1 38 LEU H . . 4.440 4.302 4.291 4.337 . 0 0 "[ . 1 . 2]" 1
782 1 37 LYS H 1 42 MET ME . . 3.920 3.509 3.192 3.785 . 0 0 "[ . 1 . 2]" 1
783 1 37 LYS H 1 50 TRP H . . 5.320 5.119 4.935 5.227 . 0 0 "[ . 1 . 2]" 1
784 1 37 LYS H 1 50 TRP HE3 . . 4.450 3.827 3.570 4.108 . 0 0 "[ . 1 . 2]" 1
785 1 37 LYS H 1 50 TRP HH2 . . 5.500 5.341 5.038 5.503 0.003 12 0 "[ . 1 . 2]" 1
786 1 37 LYS H 1 50 TRP HZ3 . . 4.340 3.481 3.282 3.744 . 0 0 "[ . 1 . 2]" 1
787 1 37 LYS H 1 77 ILE HA . . 5.410 5.114 4.858 5.276 . 0 0 "[ . 1 . 2]" 1
788 1 37 LYS H 1 77 ILE MG . . 3.700 3.414 3.187 3.611 . 0 0 "[ . 1 . 2]" 1
789 1 37 LYS H 1 78 TYR H . . 3.890 3.692 3.403 3.907 0.017 7 0 "[ . 1 . 2]" 1
790 1 37 LYS H 1 78 TYR HB2 . . 5.430 5.219 5.021 5.384 . 0 0 "[ . 1 . 2]" 1
791 1 37 LYS H 1 78 TYR QD . . 5.500 5.343 5.146 5.510 0.010 16 0 "[ . 1 . 2]" 1
792 1 37 LYS H 1 79 PHE HA . . 4.690 4.545 4.376 4.661 . 0 0 "[ . 1 . 2]" 1
793 1 37 LYS H 1 79 PHE HB2 . . 4.330 3.695 3.503 3.876 . 0 0 "[ . 1 . 2]" 1
794 1 37 LYS H 1 79 PHE HB3 . . 4.390 2.388 2.270 2.482 . 0 0 "[ . 1 . 2]" 1
795 1 37 LYS HA 1 37 LYS HG2 . . 4.060 3.202 3.021 3.377 . 0 0 "[ . 1 . 2]" 1
796 1 37 LYS HA 1 37 LYS QG . . 3.550 2.661 2.548 2.706 . 0 0 "[ . 1 . 2]" 1
797 1 37 LYS HA 1 37 LYS HG3 . . 4.060 2.852 2.684 3.002 . 0 0 "[ . 1 . 2]" 1
798 1 37 LYS HA 1 38 LEU H . . 2.890 2.774 2.718 2.789 . 0 0 "[ . 1 . 2]" 1
799 1 37 LYS HA 1 49 HIS H . . 3.790 3.284 3.082 3.399 . 0 0 "[ . 1 . 2]" 1
800 1 37 LYS HA 1 49 HIS QB . . 3.890 2.632 1.972 2.938 . 0 0 "[ . 1 . 2]" 1
801 1 37 LYS HB2 1 37 LYS QE . . 4.470 2.608 2.359 3.023 . 0 0 "[ . 1 . 2]" 1
802 1 37 LYS HB2 1 38 LEU H . . 3.670 2.592 2.506 2.742 . 0 0 "[ . 1 . 2]" 1
803 1 37 LYS HB2 1 49 HIS H . . 4.710 4.473 4.327 4.570 . 0 0 "[ . 1 . 2]" 1
804 1 37 LYS HB2 1 78 TYR H . . 4.850 4.681 4.403 4.867 0.017 3 0 "[ . 1 . 2]" 1
805 1 37 LYS HB3 1 37 LYS QE . . 4.300 2.566 2.252 2.874 . 0 0 "[ . 1 . 2]" 1
806 1 37 LYS HB3 1 38 LEU H . . 3.890 2.045 1.904 2.090 . 0 0 "[ . 1 . 2]" 1
807 1 37 LYS HB3 1 49 HIS H . . 4.600 3.818 3.677 4.018 . 0 0 "[ . 1 . 2]" 1
808 1 37 LYS HB3 1 50 TRP H . . 5.500 5.030 4.780 5.295 . 0 0 "[ . 1 . 2]" 1
809 1 37 LYS QD 1 38 LEU H . . 4.930 4.534 4.366 4.660 . 0 0 "[ . 1 . 2]" 1
810 1 37 LYS QD 1 42 MET H . . 4.440 3.649 3.237 4.029 . 0 0 "[ . 1 . 2]" 1
811 1 37 LYS QD 1 42 MET HA . . 4.150 3.871 2.990 4.156 0.006 17 0 "[ . 1 . 2]" 1
812 1 37 LYS QD 1 42 MET ME . . 3.540 2.566 2.031 3.432 . 0 0 "[ . 1 . 2]" 1
813 1 37 LYS QD 1 48 GLY QA . . 4.320 2.041 1.808 2.457 . 0 0 "[ . 1 . 2]" 1
814 1 37 LYS HD2 1 42 MET HA . . 4.720 4.254 3.297 4.606 . 0 0 "[ . 1 . 2]" 1
815 1 37 LYS HD3 1 42 MET HA . . 4.720 4.464 3.423 4.745 0.025 17 0 "[ . 1 . 2]" 1
816 1 37 LYS QE 1 38 LEU H . . 4.850 4.089 3.812 4.533 . 0 0 "[ . 1 . 2]" 1
817 1 37 LYS QE 1 40 GLU HB2 . . 4.230 3.887 3.415 4.140 . 0 0 "[ . 1 . 2]" 1
818 1 37 LYS QE 1 40 GLU HB3 . . 4.230 2.600 2.200 2.837 . 0 0 "[ . 1 . 2]" 1
819 1 37 LYS QE 1 41 GLU H . . 4.720 4.167 3.623 4.470 . 0 0 "[ . 1 . 2]" 1
820 1 37 LYS QE 1 42 MET H . . 5.280 4.402 3.663 4.971 . 0 0 "[ . 1 . 2]" 1
821 1 37 LYS QG 1 42 MET ME . . 3.540 2.775 2.412 3.255 . 0 0 "[ . 1 . 2]" 1
822 1 37 LYS QG 1 48 GLY H . . 4.800 3.889 3.648 4.046 . 0 0 "[ . 1 . 2]" 1
823 1 37 LYS QG 1 48 GLY QA . . 4.210 1.921 1.870 2.021 . 0 0 "[ . 1 . 2]" 1
824 1 37 LYS QG 1 49 HIS H . . 3.220 1.908 1.756 2.116 . 0 0 "[ . 1 . 2]" 1
825 1 37 LYS HG2 1 38 LEU H . . 4.810 4.239 4.083 4.279 . 0 0 "[ . 1 . 2]" 1
826 1 37 LYS HG2 1 49 HIS H . . 3.740 2.229 1.897 2.494 . 0 0 "[ . 1 . 2]" 1
827 1 37 LYS HG3 1 38 LEU H . . 4.810 4.522 4.449 4.593 . 0 0 "[ . 1 . 2]" 1
828 1 37 LYS HG3 1 49 HIS H . . 3.740 2.101 1.891 2.381 . 0 0 "[ . 1 . 2]" 1
829 1 38 LEU H 1 38 LEU HB2 . . 3.320 3.079 2.683 3.349 0.029 6 0 "[ . 1 . 2]" 1
830 1 38 LEU H 1 38 LEU HB3 . . 3.430 2.815 2.568 3.171 . 0 0 "[ . 1 . 2]" 1
831 1 38 LEU H 1 38 LEU MD1 . . 4.730 4.469 4.270 4.639 . 0 0 "[ . 1 . 2]" 1
832 1 38 LEU H 1 38 LEU QD . . 4.040 3.874 3.567 4.028 . 0 0 "[ . 1 . 2]" 1
833 1 38 LEU H 1 38 LEU MD2 . . 4.730 4.268 3.756 4.538 . 0 0 "[ . 1 . 2]" 1
834 1 38 LEU H 1 39 ASN H . . 4.520 4.374 4.236 4.445 . 0 0 "[ . 1 . 2]" 1
835 1 38 LEU H 1 40 GLU H . . 4.050 3.878 3.632 4.050 0.000 8 0 "[ . 1 . 2]" 1
836 1 38 LEU H 1 49 HIS H . . 5.500 5.479 5.377 5.530 0.030 20 0 "[ . 1 . 2]" 1
837 1 38 LEU H 1 49 HIS QB . . 5.130 4.082 3.811 4.245 . 0 0 "[ . 1 . 2]" 1
838 1 38 LEU H 1 50 TRP HH2 . . 5.490 4.727 4.494 5.051 . 0 0 "[ . 1 . 2]" 1
839 1 38 LEU HA 1 38 LEU QD . . 3.240 2.279 1.862 2.718 . 0 0 "[ . 1 . 2]" 1
840 1 38 LEU HA 1 39 ASN H . . 2.830 2.226 2.143 2.296 . 0 0 "[ . 1 . 2]" 1
841 1 38 LEU HA 1 39 ASN HA . . 4.450 4.390 4.365 4.415 . 0 0 "[ . 1 . 2]" 1
842 1 38 LEU HA 1 40 GLU H . . 3.990 3.394 3.189 3.656 . 0 0 "[ . 1 . 2]" 1
843 1 38 LEU HA 1 77 ILE HA . . 4.060 2.957 2.783 3.132 . 0 0 "[ . 1 . 2]" 1
844 1 38 LEU HA 1 77 ILE MG . . 4.570 3.630 3.368 3.912 . 0 0 "[ . 1 . 2]" 1
845 1 38 LEU HA 1 78 TYR H . . 4.330 4.008 3.776 4.308 . 0 0 "[ . 1 . 2]" 1
846 1 38 LEU HB2 1 39 ASN H . . 4.970 4.096 3.873 4.490 . 0 0 "[ . 1 . 2]" 1
847 1 38 LEU HB2 1 39 ASN QD . . 4.460 4.410 4.210 4.536 0.076 6 0 "[ . 1 . 2]" 1
848 1 38 LEU HB2 1 50 TRP HZ3 . . 4.630 4.276 3.813 4.632 0.002 13 0 "[ . 1 . 2]" 1
849 1 38 LEU HB3 1 39 ASN H . . 4.620 3.886 3.597 4.104 . 0 0 "[ . 1 . 2]" 1
850 1 38 LEU QD 1 39 ASN H . . 3.120 2.603 1.957 3.145 0.025 10 0 "[ . 1 . 2]" 1
851 1 38 LEU QD 1 39 ASN QD . . 3.420 1.943 1.688 2.242 . 0 0 "[ . 1 . 2]" 1
852 1 38 LEU QD 1 40 GLU H . . 5.300 4.498 3.993 4.879 . 0 0 "[ . 1 . 2]" 1
853 1 38 LEU QD 1 50 TRP HZ2 . . 5.110 3.473 3.077 4.060 . 0 0 "[ . 1 . 2]" 1
854 1 38 LEU QD 1 50 TRP HZ3 . . 5.010 4.014 2.927 4.817 . 0 0 "[ . 1 . 2]" 1
855 1 38 LEU QD 1 71 LEU HB2 . . 3.990 2.540 2.232 2.905 . 0 0 "[ . 1 . 2]" 1
856 1 38 LEU QD 1 75 ASP HA . . 4.270 4.159 3.860 4.280 0.010 15 0 "[ . 1 . 2]" 1
857 1 38 LEU QD 1 75 ASP HB2 . . 3.460 3.321 3.159 3.439 . 0 0 "[ . 1 . 2]" 1
858 1 38 LEU QD 1 75 ASP HB3 . . 3.590 2.264 2.010 2.537 . 0 0 "[ . 1 . 2]" 1
859 1 38 LEU QD 1 76 LYS H . . 4.180 2.851 2.349 3.249 . 0 0 "[ . 1 . 2]" 1
860 1 38 LEU QD 1 77 ILE HB . . 4.980 4.617 4.070 4.984 0.004 6 0 "[ . 1 . 2]" 1
861 1 38 LEU QD 1 77 ILE QG . . 3.240 2.176 1.752 2.674 . 0 0 "[ . 1 . 2]" 1
862 1 38 LEU QD 1 78 TYR H . . 5.310 4.871 4.303 5.264 . 0 0 "[ . 1 . 2]" 1
863 1 38 LEU MD1 1 39 ASN H . . 3.990 2.693 1.984 3.488 . 0 0 "[ . 1 . 2]" 1
864 1 38 LEU MD1 1 39 ASN HD21 . . 4.770 2.609 1.771 3.674 . 0 0 "[ . 1 . 2]" 1
865 1 38 LEU MD1 1 39 ASN HD22 . . 4.770 2.807 1.927 4.210 . 0 0 "[ . 1 . 2]" 1
866 1 38 LEU MD1 1 50 TRP HH2 . . 4.390 3.245 2.188 4.381 . 0 0 "[ . 1 . 2]" 1
867 1 38 LEU MD1 1 76 LYS H . . 5.430 2.905 2.356 3.549 . 0 0 "[ . 1 . 2]" 1
868 1 38 LEU MD2 1 39 ASN H . . 3.990 3.725 3.006 4.023 0.033 6 0 "[ . 1 . 2]" 1
869 1 38 LEU MD2 1 39 ASN HD21 . . 4.770 3.312 1.858 4.363 . 0 0 "[ . 1 . 2]" 1
870 1 38 LEU MD2 1 39 ASN HD22 . . 4.770 3.517 2.181 4.660 . 0 0 "[ . 1 . 2]" 1
871 1 38 LEU MD2 1 50 TRP HH2 . . 4.390 3.613 1.788 4.402 0.012 17 0 "[ . 1 . 2]" 1
872 1 38 LEU MD2 1 76 LYS H . . 5.430 4.405 3.658 5.024 . 0 0 "[ . 1 . 2]" 1
873 1 38 LEU HG 1 39 ASN H . . 5.500 2.890 2.003 4.915 . 0 0 "[ . 1 . 2]" 1
874 1 38 LEU HG 1 39 ASN HD21 . . 4.740 2.567 1.900 4.132 . 0 0 "[ . 1 . 2]" 1
875 1 38 LEU HG 1 39 ASN QD . . 4.090 2.440 1.881 3.888 . 0 0 "[ . 1 . 2]" 1
876 1 38 LEU HG 1 39 ASN HD22 . . 4.740 3.369 2.295 4.737 . 0 0 "[ . 1 . 2]" 1
877 1 39 ASN H 1 39 ASN HD21 . . 4.690 2.606 1.800 3.710 . 0 0 "[ . 1 . 2]" 1
878 1 39 ASN H 1 39 ASN QD . . 4.110 2.529 1.792 3.510 . 0 0 "[ . 1 . 2]" 1
879 1 39 ASN H 1 39 ASN HD22 . . 4.690 3.759 3.072 4.333 . 0 0 "[ . 1 . 2]" 1
880 1 39 ASN H 1 40 GLU H . . 3.330 2.799 2.626 2.963 . 0 0 "[ . 1 . 2]" 1
881 1 39 ASN H 1 76 LYS H . . 3.990 3.621 3.414 3.924 . 0 0 "[ . 1 . 2]" 1
882 1 39 ASN H 1 76 LYS HB3 . . 5.500 4.543 4.037 4.951 . 0 0 "[ . 1 . 2]" 1
883 1 39 ASN H 1 77 ILE H . . 5.390 5.043 4.584 5.321 . 0 0 "[ . 1 . 2]" 1
884 1 39 ASN H 1 77 ILE HA . . 3.970 3.287 2.840 3.533 . 0 0 "[ . 1 . 2]" 1
885 1 39 ASN H 1 77 ILE QG . . 5.340 3.999 3.671 4.311 . 0 0 "[ . 1 . 2]" 1
886 1 39 ASN H 1 78 TYR H . . 4.890 4.751 4.391 4.901 0.011 2 0 "[ . 1 . 2]" 1
887 1 39 ASN H 1 78 TYR QD . . 4.260 4.008 3.665 4.265 0.005 3 0 "[ . 1 . 2]" 1
888 1 39 ASN H 1 78 TYR QE . . 4.130 3.257 2.767 3.549 . 0 0 "[ . 1 . 2]" 1
889 1 39 ASN HA 1 40 GLU H . . 3.430 2.974 2.832 3.136 . 0 0 "[ . 1 . 2]" 1
890 1 39 ASN HA 1 78 TYR QE . . 3.630 2.288 2.028 2.839 . 0 0 "[ . 1 . 2]" 1
891 1 39 ASN HB2 1 40 GLU H . . 4.640 4.063 3.794 4.222 . 0 0 "[ . 1 . 2]" 1
892 1 39 ASN HB3 1 40 GLU H . . 4.640 4.385 4.291 4.526 . 0 0 "[ . 1 . 2]" 1
893 1 39 ASN QD 1 75 ASP HA . . 4.180 3.299 2.564 3.865 . 0 0 "[ . 1 . 2]" 1
894 1 39 ASN HD21 1 76 LYS H . . 4.310 3.417 2.384 4.316 0.006 9 0 "[ . 1 . 2]" 1
895 1 39 ASN HD22 1 76 LYS H . . 4.310 2.914 1.885 3.827 . 0 0 "[ . 1 . 2]" 1
896 1 40 GLU H 1 40 GLU HB2 . . 3.440 3.392 3.299 3.447 0.007 20 0 "[ . 1 . 2]" 1
897 1 40 GLU H 1 40 GLU QB . . 2.980 2.827 2.770 2.905 . 0 0 "[ . 1 . 2]" 1
898 1 40 GLU H 1 40 GLU HB3 . . 3.440 3.027 2.928 3.144 . 0 0 "[ . 1 . 2]" 1
899 1 40 GLU H 1 40 GLU HG2 . . 5.240 4.860 4.476 5.050 . 0 0 "[ . 1 . 2]" 1
900 1 40 GLU H 1 40 GLU QG . . 4.540 4.199 4.123 4.234 . 0 0 "[ . 1 . 2]" 1
901 1 40 GLU H 1 40 GLU HG3 . . 5.240 4.622 4.495 4.848 . 0 0 "[ . 1 . 2]" 1
902 1 40 GLU H 1 41 GLU H . . 4.380 4.197 4.066 4.299 . 0 0 "[ . 1 . 2]" 1
903 1 40 GLU H 1 41 GLU HA . . 4.690 4.564 4.504 4.653 . 0 0 "[ . 1 . 2]" 1
904 1 40 GLU H 1 78 TYR H . . 4.710 4.289 4.003 4.656 . 0 0 "[ . 1 . 2]" 1
905 1 40 GLU H 1 78 TYR HB2 . . 5.230 4.562 4.354 4.941 . 0 0 "[ . 1 . 2]" 1
906 1 40 GLU H 1 78 TYR QD . . 3.270 2.446 2.204 2.926 . 0 0 "[ . 1 . 2]" 1
907 1 40 GLU H 1 78 TYR QE . . 3.480 2.866 2.323 3.305 . 0 0 "[ . 1 . 2]" 1
908 1 40 GLU HA 1 40 GLU HG2 . . 4.020 3.536 3.057 3.803 . 0 0 "[ . 1 . 2]" 1
909 1 40 GLU HA 1 40 GLU HG3 . . 4.020 2.576 2.378 2.802 . 0 0 "[ . 1 . 2]" 1
910 1 40 GLU HA 1 41 GLU H . . 2.470 2.197 2.144 2.250 . 0 0 "[ . 1 . 2]" 1
911 1 40 GLU HA 1 41 GLU HA . . 4.470 4.383 4.355 4.412 . 0 0 "[ . 1 . 2]" 1
912 1 40 GLU HA 1 41 GLU HG2 . . 4.570 4.206 3.888 4.568 . 0 0 "[ . 1 . 2]" 1
913 1 40 GLU HA 1 41 GLU HG3 . . 5.270 4.926 4.561 5.113 . 0 0 "[ . 1 . 2]" 1
914 1 40 GLU QB 1 41 GLU H . . 4.140 3.631 3.503 3.795 . 0 0 "[ . 1 . 2]" 1
915 1 40 GLU QG 1 41 GLU H . . 3.380 2.368 2.001 2.882 . 0 0 "[ . 1 . 2]" 1
916 1 40 GLU QG 1 41 GLU HA . . 4.000 3.964 3.841 4.005 0.005 16 0 "[ . 1 . 2]" 1
917 1 40 GLU HG2 1 41 GLU H . . 4.250 3.573 2.578 4.248 . 0 0 "[ . 1 . 2]" 1
918 1 40 GLU HG3 1 41 GLU H . . 4.250 2.498 2.010 3.202 . 0 0 "[ . 1 . 2]" 1
919 1 41 GLU H 1 41 GLU HB2 . . 3.970 3.723 3.643 3.829 . 0 0 "[ . 1 . 2]" 1
920 1 41 GLU H 1 41 GLU HB3 . . 3.970 2.881 2.723 3.007 . 0 0 "[ . 1 . 2]" 1
921 1 41 GLU H 1 41 GLU HG2 . . 3.010 2.455 2.145 2.986 . 0 0 "[ . 1 . 2]" 1
922 1 41 GLU H 1 41 GLU HG3 . . 2.990 2.790 2.426 2.962 . 0 0 "[ . 1 . 2]" 1
923 1 41 GLU H 1 42 MET H . . 4.610 4.520 4.394 4.575 . 0 0 "[ . 1 . 2]" 1
924 1 41 GLU H 1 78 TYR QD . . 4.690 3.956 3.490 4.417 . 0 0 "[ . 1 . 2]" 1
925 1 41 GLU H 1 78 TYR QE . . 5.110 4.976 4.626 5.111 0.001 12 0 "[ . 1 . 2]" 1
926 1 41 GLU HA 1 41 GLU HG2 . . 4.110 3.916 3.793 4.062 . 0 0 "[ . 1 . 2]" 1
927 1 41 GLU HA 1 41 GLU HG3 . . 3.820 3.620 3.541 3.705 . 0 0 "[ . 1 . 2]" 1
928 1 41 GLU HA 1 42 MET H . . 2.710 2.333 2.208 2.708 . 0 0 "[ . 1 . 2]" 1
929 1 41 GLU HA 1 78 TYR HB3 . . 4.340 3.578 3.329 3.948 . 0 0 "[ . 1 . 2]" 1
930 1 41 GLU HA 1 78 TYR QD . . 4.410 3.354 3.151 3.496 . 0 0 "[ . 1 . 2]" 1
931 1 41 GLU QB 1 42 MET H . . 3.440 2.614 1.923 2.933 . 0 0 "[ . 1 . 2]" 1
932 1 41 GLU HB2 1 42 MET H . . 4.230 2.657 1.932 3.001 . 0 0 "[ . 1 . 2]" 1
933 1 41 GLU HB3 1 42 MET H . . 4.230 3.925 3.493 4.127 . 0 0 "[ . 1 . 2]" 1
934 1 41 GLU HG3 1 42 MET H . . 4.110 3.808 3.187 4.111 0.001 11 0 "[ . 1 . 2]" 1
935 1 42 MET H 1 42 MET QB . . 3.290 2.918 2.448 3.147 . 0 0 "[ . 1 . 2]" 1
936 1 42 MET H 1 42 MET ME . . 4.480 4.053 3.338 4.401 . 0 0 "[ . 1 . 2]" 1
937 1 42 MET H 1 42 MET HG2 . . 3.900 2.138 1.889 2.960 . 0 0 "[ . 1 . 2]" 1
938 1 42 MET H 1 42 MET HG3 . . 3.900 3.229 2.319 3.662 . 0 0 "[ . 1 . 2]" 1
939 1 42 MET H 1 43 GLU H . . 4.570 4.452 4.402 4.538 . 0 0 "[ . 1 . 2]" 1
940 1 42 MET H 1 43 GLU HA . . 5.280 5.097 4.911 5.310 0.030 20 0 "[ . 1 . 2]" 1
941 1 42 MET H 1 78 TYR HB2 . . 3.980 3.780 3.519 3.988 0.008 20 0 "[ . 1 . 2]" 1
942 1 42 MET H 1 78 TYR HB3 . . 4.750 4.631 4.370 4.763 0.013 20 0 "[ . 1 . 2]" 1
943 1 42 MET H 1 78 TYR QD . . 5.500 5.384 5.010 5.517 0.017 14 0 "[ . 1 . 2]" 1
944 1 42 MET HA 1 43 GLU H . . 2.780 2.620 2.507 2.685 . 0 0 "[ . 1 . 2]" 1
945 1 42 MET QB 1 43 GLU H . . 3.670 1.983 1.887 2.186 . 0 0 "[ . 1 . 2]" 1
946 1 42 MET ME 1 42 MET HG2 . . 3.400 2.887 1.996 3.331 . 0 0 "[ . 1 . 2]" 1
947 1 42 MET ME 1 42 MET HG3 . . 3.400 2.500 1.999 3.388 . 0 0 "[ . 1 . 2]" 1
948 1 42 MET ME 1 45 LEU HA . . 4.810 4.572 4.227 4.807 . 0 0 "[ . 1 . 2]" 1
949 1 42 MET ME 1 46 GLU H . . 3.870 3.617 3.282 3.911 0.041 17 0 "[ . 1 . 2]" 1
950 1 42 MET ME 1 47 ALA H . . 4.970 4.777 4.526 4.982 0.012 14 0 "[ . 1 . 2]" 1
951 1 42 MET ME 1 48 GLY H . . 3.890 2.063 1.846 2.294 . 0 0 "[ . 1 . 2]" 1
952 1 42 MET ME 1 48 GLY HA2 . . 3.300 2.966 2.412 3.309 0.009 17 0 "[ . 1 . 2]" 1
953 1 42 MET ME 1 48 GLY HA3 . . 3.300 2.100 1.956 2.318 . 0 0 "[ . 1 . 2]" 1
954 1 42 MET ME 1 49 HIS H . . 3.810 3.677 3.411 3.837 0.027 20 0 "[ . 1 . 2]" 1
955 1 42 MET ME 1 50 TRP H . . 5.500 5.162 4.831 5.511 0.011 14 0 "[ . 1 . 2]" 1
956 1 42 MET ME 1 79 PHE H . . 5.320 5.085 4.438 5.320 . 0 0 "[ . 1 . 2]" 1
957 1 42 MET ME 1 79 PHE HA . . 3.260 2.846 1.995 3.127 . 0 0 "[ . 1 . 2]" 1
958 1 42 MET ME 1 80 TRP H . . 3.710 3.043 2.355 3.412 . 0 0 "[ . 1 . 2]" 1
959 1 42 MET ME 1 80 TRP HD1 . . 3.480 3.031 2.252 3.458 . 0 0 "[ . 1 . 2]" 1
960 1 42 MET ME 1 80 TRP HE1 . . 3.180 2.598 2.178 3.186 0.006 7 0 "[ . 1 . 2]" 1
961 1 42 MET QG 1 43 GLU H . . 4.270 3.456 3.020 3.969 . 0 0 "[ . 1 . 2]" 1
962 1 42 MET QG 1 80 TRP HD1 . . 4.070 3.792 3.137 4.183 0.113 17 0 "[ . 1 . 2]" 1
963 1 43 GLU H 1 43 GLU HB2 . . 3.390 2.732 2.087 3.379 . 0 0 "[ . 1 . 2]" 1
964 1 43 GLU H 1 43 GLU QB . . 2.950 2.546 2.067 2.762 . 0 0 "[ . 1 . 2]" 1
965 1 43 GLU H 1 43 GLU HB3 . . 3.390 3.158 2.808 3.380 . 0 0 "[ . 1 . 2]" 1
966 1 43 GLU H 1 43 GLU QG . . 4.320 4.053 3.279 4.229 . 0 0 "[ . 1 . 2]" 1
967 1 43 GLU H 1 44 GLY H . . 4.640 4.408 4.167 4.637 . 0 0 "[ . 1 . 2]" 1
968 1 43 GLU H 1 45 LEU H . . 5.280 4.754 4.243 5.274 . 0 0 "[ . 1 . 2]" 1
969 1 43 GLU H 1 46 GLU H . . 4.430 4.198 3.797 4.422 . 0 0 "[ . 1 . 2]" 1
970 1 43 GLU H 1 46 GLU QB . . 4.360 4.212 3.824 4.392 0.032 14 0 "[ . 1 . 2]" 1
971 1 43 GLU H 1 46 GLU HG2 . . 3.150 2.655 2.017 2.786 . 0 0 "[ . 1 . 2]" 1
972 1 43 GLU H 1 46 GLU HG3 . . 4.270 4.164 3.293 4.282 0.012 17 0 "[ . 1 . 2]" 1
973 1 43 GLU HA 1 43 GLU QG . . 3.670 2.159 2.000 2.481 . 0 0 "[ . 1 . 2]" 1
974 1 43 GLU HA 1 44 GLY H . . 2.480 2.292 2.148 2.518 0.038 14 0 "[ . 1 . 2]" 1
975 1 43 GLU HA 1 44 GLY QA . . 4.590 3.991 3.919 4.113 . 0 0 "[ . 1 . 2]" 1
976 1 43 GLU QB 1 44 GLY H . . 3.750 3.224 2.528 3.665 . 0 0 "[ . 1 . 2]" 1
977 1 43 GLU HB2 1 44 GLY H . . 4.500 4.182 3.868 4.503 0.003 8 0 "[ . 1 . 2]" 1
978 1 43 GLU HB3 1 44 GLY H . . 4.500 3.376 2.562 3.977 . 0 0 "[ . 1 . 2]" 1
979 1 43 GLU QG 1 44 GLY H . . 3.800 2.520 1.952 3.205 . 0 0 "[ . 1 . 2]" 1
980 1 44 GLY QA 1 46 GLU H . . 5.100 4.897 4.631 5.128 0.028 20 0 "[ . 1 . 2]" 1
981 1 45 LEU H 1 45 LEU HB2 . . 3.940 3.679 3.374 3.969 0.029 20 0 "[ . 1 . 2]" 1
982 1 45 LEU H 1 45 LEU HB3 . . 3.940 3.734 3.131 3.958 0.018 15 0 "[ . 1 . 2]" 1
983 1 45 LEU H 1 45 LEU MD1 . . 4.050 3.829 3.241 4.044 . 0 0 "[ . 1 . 2]" 1
984 1 45 LEU H 1 45 LEU MD2 . . 4.050 3.484 2.913 4.034 . 0 0 "[ . 1 . 2]" 1
985 1 45 LEU H 1 45 LEU HG . . 3.360 2.455 2.300 2.684 . 0 0 "[ . 1 . 2]" 1
986 1 45 LEU H 1 46 GLU H . . 3.530 3.443 3.219 3.539 0.009 19 0 "[ . 1 . 2]" 1
987 1 45 LEU H 1 46 GLU QB . . 5.450 4.548 3.629 4.944 . 0 0 "[ . 1 . 2]" 1
988 1 45 LEU H 1 46 GLU HG2 . . 5.500 4.769 4.305 5.094 . 0 0 "[ . 1 . 2]" 1
989 1 45 LEU HA 1 45 LEU QD . . 4.130 2.934 2.446 3.467 . 0 0 "[ . 1 . 2]" 1
990 1 45 LEU HA 1 45 LEU HG . . 4.160 3.145 2.552 3.628 . 0 0 "[ . 1 . 2]" 1
991 1 45 LEU HA 1 46 GLU H . . 2.730 2.300 2.243 2.369 . 0 0 "[ . 1 . 2]" 1
992 1 45 LEU HA 1 46 GLU HA . . 4.530 4.389 4.350 4.426 . 0 0 "[ . 1 . 2]" 1
993 1 45 LEU HA 1 80 TRP HD1 . . 4.320 3.774 3.185 4.111 . 0 0 "[ . 1 . 2]" 1
994 1 45 LEU HA 1 80 TRP HE1 . . 3.220 2.463 2.182 2.899 . 0 0 "[ . 1 . 2]" 1
995 1 45 LEU QB 1 46 GLU H . . 4.230 3.777 3.715 3.841 . 0 0 "[ . 1 . 2]" 1
996 1 45 LEU QB 1 80 TRP HE1 . . 3.930 3.821 3.243 4.010 0.080 14 0 "[ . 1 . 2]" 1
997 1 45 LEU QB 1 80 TRP HZ2 . . 5.130 3.884 2.822 4.834 . 0 0 "[ . 1 . 2]" 1
998 1 45 LEU HB2 1 46 GLU H . . 4.900 4.289 3.979 4.473 . 0 0 "[ . 1 . 2]" 1
999 1 45 LEU HB3 1 46 GLU H . . 4.900 4.242 4.030 4.548 . 0 0 "[ . 1 . 2]" 1
1000 1 45 LEU QD 1 91 ARG QD . . 3.630 2.648 1.867 3.550 . 0 0 "[ . 1 . 2]" 1
1001 1 46 GLU H 1 46 GLU QB . . 2.980 2.904 2.817 2.991 0.011 11 0 "[ . 1 . 2]" 1
1002 1 46 GLU H 1 46 GLU HG2 . . 3.090 2.537 2.306 2.800 . 0 0 "[ . 1 . 2]" 1
1003 1 46 GLU H 1 46 GLU HG3 . . 3.730 3.138 2.866 3.450 . 0 0 "[ . 1 . 2]" 1
1004 1 46 GLU H 1 47 ALA H . . 4.580 4.395 4.171 4.464 . 0 0 "[ . 1 . 2]" 1
1005 1 46 GLU H 1 80 TRP HD1 . . 4.840 4.381 3.591 4.767 . 0 0 "[ . 1 . 2]" 1
1006 1 46 GLU H 1 80 TRP HE1 . . 3.310 2.206 1.865 2.702 . 0 0 "[ . 1 . 2]" 1
1007 1 46 GLU H 1 80 TRP HZ2 . . 4.280 3.150 2.742 3.814 . 0 0 "[ . 1 . 2]" 1
1008 1 46 GLU HA 1 46 GLU HG2 . . 4.150 3.870 3.782 3.975 . 0 0 "[ . 1 . 2]" 1
1009 1 46 GLU HA 1 46 GLU HG3 . . 3.700 3.630 3.573 3.711 0.011 19 0 "[ . 1 . 2]" 1
1010 1 46 GLU HA 1 47 ALA H . . 2.980 2.611 2.464 2.925 . 0 0 "[ . 1 . 2]" 1
1011 1 46 GLU HA 1 47 ALA HA . . 4.690 4.348 4.320 4.417 . 0 0 "[ . 1 . 2]" 1
1012 1 46 GLU HA 1 47 ALA MB . . 4.180 4.125 4.055 4.198 0.018 20 0 "[ . 1 . 2]" 1
1013 1 46 GLU HA 1 80 TRP HE1 . . 4.480 4.369 3.926 4.505 0.025 14 0 "[ . 1 . 2]" 1
1014 1 46 GLU QB 1 47 ALA H . . 2.950 2.155 1.883 2.353 . 0 0 "[ . 1 . 2]" 1
1015 1 46 GLU QB 1 47 ALA MB . . 4.530 3.843 3.619 3.977 . 0 0 "[ . 1 . 2]" 1
1016 1 46 GLU QB 1 48 GLY H . . 5.500 5.248 5.123 5.446 . 0 0 "[ . 1 . 2]" 1
1017 1 46 GLU HG2 1 47 ALA H . . 4.520 4.206 3.612 4.508 . 0 0 "[ . 1 . 2]" 1
1018 1 46 GLU HG2 1 80 TRP HE1 . . 4.580 4.235 3.754 4.585 0.005 6 0 "[ . 1 . 2]" 1
1019 1 46 GLU HG3 1 47 ALA H . . 4.210 2.939 2.245 3.322 . 0 0 "[ . 1 . 2]" 1
1020 1 46 GLU HG3 1 47 ALA MB . . 4.480 4.244 3.834 4.481 0.001 5 0 "[ . 1 . 2]" 1
1021 1 46 GLU HG3 1 48 GLY H . . 3.870 3.817 3.642 3.875 0.005 10 0 "[ . 1 . 2]" 1
1022 1 46 GLU HG3 1 80 TRP HE1 . . 5.110 4.354 3.750 4.903 . 0 0 "[ . 1 . 2]" 1
1023 1 47 ALA H 1 47 ALA MB . . 2.660 2.183 2.114 2.301 . 0 0 "[ . 1 . 2]" 1
1024 1 47 ALA H 1 80 TRP HE1 . . 5.500 5.410 5.163 5.504 0.004 15 0 "[ . 1 . 2]" 1
1025 1 47 ALA HA 1 80 TRP HE1 . . 5.000 4.794 4.238 5.053 0.053 17 0 "[ . 1 . 2]" 1
1026 1 47 ALA MB 1 48 GLY H . . 3.550 3.473 3.416 3.509 . 0 0 "[ . 1 . 2]" 1
1027 1 47 ALA MB 1 49 HIS H . . 5.500 5.454 5.350 5.509 0.009 7 0 "[ . 1 . 2]" 1
1028 1 48 GLY H 1 49 HIS H . . 3.900 3.796 3.599 3.910 0.010 3 0 "[ . 1 . 2]" 1
1029 1 48 GLY QA 1 49 HIS H . . 2.960 2.118 2.108 2.141 . 0 0 "[ . 1 . 2]" 1
1030 1 48 GLY HA2 1 49 HIS H . . 3.470 3.304 3.248 3.380 . 0 0 "[ . 1 . 2]" 1
1031 1 48 GLY HA3 1 49 HIS H . . 3.470 2.143 2.135 2.165 . 0 0 "[ . 1 . 2]" 1
1032 1 49 HIS H 1 49 HIS QB . . 3.300 2.263 2.160 2.364 . 0 0 "[ . 1 . 2]" 1
1033 1 49 HIS H 1 50 TRP H . . 2.960 2.485 2.281 2.661 . 0 0 "[ . 1 . 2]" 1
1034 1 49 HIS H 1 50 TRP QB . . 4.400 4.321 4.218 4.406 0.006 3 0 "[ . 1 . 2]" 1
1035 1 49 HIS HA 1 49 HIS HD2 . . 4.310 4.081 3.784 4.291 . 0 0 "[ . 1 . 2]" 1
1036 1 49 HIS HA 1 49 HIS HE1 . . 4.840 4.643 4.490 4.819 . 0 0 "[ . 1 . 2]" 1
1037 1 49 HIS QB 1 50 TRP H . . 3.620 2.240 2.048 2.481 . 0 0 "[ . 1 . 2]" 1
1038 1 50 TRP H 1 50 TRP QB . . 3.320 2.445 2.371 2.518 . 0 0 "[ . 1 . 2]" 1
1039 1 50 TRP H 1 50 TRP HE3 . . 4.150 3.467 3.076 3.659 . 0 0 "[ . 1 . 2]" 1
1040 1 50 TRP HA 1 50 TRP HD1 . . 3.960 2.481 2.373 2.684 . 0 0 "[ . 1 . 2]" 1
1041 1 50 TRP HA 1 50 TRP HE1 . . 5.140 4.789 4.739 4.864 . 0 0 "[ . 1 . 2]" 1
1042 1 50 TRP HA 1 51 SER H . . 2.640 2.351 2.202 2.557 . 0 0 "[ . 1 . 2]" 1
1043 1 50 TRP QB 1 51 SER H . . 3.630 2.579 2.091 3.665 0.035 3 0 "[ . 1 . 2]" 1
1044 1 50 TRP HD1 1 51 SER H . . 4.510 3.993 3.825 4.518 0.008 3 0 "[ . 1 . 2]" 1
1045 1 50 TRP HE1 1 66 ASP QB . . 3.990 3.524 2.815 3.902 . 0 0 "[ . 1 . 2]" 1
1046 1 50 TRP HE1 1 68 ASN HA . . 5.500 5.323 5.129 5.491 . 0 0 "[ . 1 . 2]" 1
1047 1 50 TRP HE1 1 68 ASN QD . . 3.780 2.899 1.851 3.767 . 0 0 "[ . 1 . 2]" 1
1048 1 50 TRP HE1 1 69 ALA H . . 4.480 3.909 3.542 4.303 . 0 0 "[ . 1 . 2]" 1
1049 1 50 TRP HE1 1 69 ALA MB . . 3.850 2.442 2.074 2.707 . 0 0 "[ . 1 . 2]" 1
1050 1 50 TRP HH2 1 77 ILE MG . . 4.930 3.735 3.109 4.093 . 0 0 "[ . 1 . 2]" 1
1051 1 50 TRP HZ2 1 69 ALA MB . . 3.680 1.976 1.810 2.197 . 0 0 "[ . 1 . 2]" 1
1052 1 50 TRP HZ3 1 77 ILE QG . . 4.420 3.550 3.392 3.974 . 0 0 "[ . 1 . 2]" 1
1053 1 50 TRP HZ3 1 77 ILE MG . . 3.630 2.596 2.189 2.938 . 0 0 "[ . 1 . 2]" 1
1054 1 51 SER H 1 51 SER HB2 . . 4.110 3.962 3.652 4.086 . 0 0 "[ . 1 . 2]" 1
1055 1 51 SER H 1 51 SER QB . . 3.440 3.193 2.797 3.375 . 0 0 "[ . 1 . 2]" 1
1056 1 51 SER H 1 51 SER HB3 . . 4.110 3.370 2.890 3.606 . 0 0 "[ . 1 . 2]" 1
1057 1 51 SER H 1 52 ARG H . . 4.140 3.949 3.657 4.165 0.025 3 0 "[ . 1 . 2]" 1
1058 1 51 SER H 1 52 ARG HA . . 5.230 4.970 4.858 5.189 . 0 0 "[ . 1 . 2]" 1
1059 1 51 SER HA 1 52 ARG H . . 2.570 2.144 2.138 2.164 . 0 0 "[ . 1 . 2]" 1
1060 1 51 SER QB 1 52 ARG H . . 3.750 3.416 3.207 3.781 0.031 7 0 "[ . 1 . 2]" 1
1061 1 51 SER HB2 1 52 ARG H . . 4.550 3.574 3.310 4.125 . 0 0 "[ . 1 . 2]" 1
1062 1 51 SER HB3 1 52 ARG H . . 4.550 4.361 4.277 4.480 . 0 0 "[ . 1 . 2]" 1
1063 1 52 ARG H 1 52 ARG HB2 . . 3.460 3.126 2.923 3.534 0.074 7 0 "[ . 1 . 2]" 1
1064 1 52 ARG H 1 52 ARG QB . . 3.030 2.837 2.720 2.938 . 0 0 "[ . 1 . 2]" 1
1065 1 52 ARG H 1 52 ARG HB3 . . 3.460 3.312 2.917 3.469 0.009 1 0 "[ . 1 . 2]" 1
1066 1 52 ARG H 1 52 ARG QD . . 5.250 4.843 4.631 5.224 . 0 0 "[ . 1 . 2]" 1
1067 1 52 ARG H 1 53 ASP H . . 4.510 4.337 4.238 4.403 . 0 0 "[ . 1 . 2]" 1
1068 1 52 ARG HA 1 52 ARG HD2 . . 4.450 4.151 3.528 4.439 . 0 0 "[ . 1 . 2]" 1
1069 1 52 ARG HA 1 52 ARG QD . . 3.570 3.233 2.129 3.566 . 0 0 "[ . 1 . 2]" 1
1070 1 52 ARG HA 1 52 ARG HD3 . . 4.450 3.424 2.142 4.189 . 0 0 "[ . 1 . 2]" 1
1071 1 52 ARG HA 1 52 ARG HG2 . . 4.130 2.350 2.044 3.882 . 0 0 "[ . 1 . 2]" 1
1072 1 52 ARG HA 1 52 ARG QG . . 3.580 2.195 2.025 2.984 . 0 0 "[ . 1 . 2]" 1
1073 1 52 ARG HA 1 52 ARG HG3 . . 4.130 3.279 2.894 3.497 . 0 0 "[ . 1 . 2]" 1
1074 1 52 ARG HA 1 53 ASP H . . 2.620 2.348 2.232 2.399 . 0 0 "[ . 1 . 2]" 1
1075 1 52 ARG HA 1 53 ASP QB . . 3.860 3.865 3.826 3.902 0.042 7 0 "[ . 1 . 2]" 1
1076 1 52 ARG QB 1 53 ASP H . . 3.620 3.111 2.904 3.557 . 0 0 "[ . 1 . 2]" 1
1077 1 52 ARG HB2 1 53 ASP H . . 4.350 4.054 3.912 4.134 . 0 0 "[ . 1 . 2]" 1
1078 1 52 ARG HB3 1 53 ASP H . . 4.350 3.262 2.977 4.042 . 0 0 "[ . 1 . 2]" 1
1079 1 52 ARG QD 1 53 ASP H . . 3.600 2.262 1.886 3.537 . 0 0 "[ . 1 . 2]" 1
1080 1 52 ARG QD 1 54 ILE MD . . 3.770 2.033 1.821 2.584 . 0 0 "[ . 1 . 2]" 1
1081 1 52 ARG QD 1 54 ILE HG12 . . 3.820 3.073 2.556 3.716 . 0 0 "[ . 1 . 2]" 1
1082 1 52 ARG HD2 1 53 ASP H . . 4.150 3.590 2.818 4.162 0.012 7 0 "[ . 1 . 2]" 1
1083 1 52 ARG HD2 1 54 ILE MD . . 4.520 2.265 1.928 3.437 . 0 0 "[ . 1 . 2]" 1
1084 1 52 ARG HD2 1 54 ILE HG12 . . 4.390 3.537 2.716 4.399 0.009 7 0 "[ . 1 . 2]" 1
1085 1 52 ARG HD3 1 53 ASP H . . 4.150 2.301 1.897 3.827 . 0 0 "[ . 1 . 2]" 1
1086 1 52 ARG HD3 1 54 ILE MD . . 4.520 2.486 2.010 3.476 . 0 0 "[ . 1 . 2]" 1
1087 1 52 ARG HD3 1 54 ILE HG12 . . 4.390 3.514 2.731 4.393 0.003 18 0 "[ . 1 . 2]" 1
1088 1 52 ARG HG2 1 53 ASP H . . 4.100 2.869 2.342 4.027 . 0 0 "[ . 1 . 2]" 1
1089 1 52 ARG HG3 1 53 ASP H . . 4.100 3.804 2.233 4.140 0.040 14 0 "[ . 1 . 2]" 1
1090 1 53 ASP H 1 53 ASP HB2 . . 4.090 3.169 2.606 3.935 . 0 0 "[ . 1 . 2]" 1
1091 1 53 ASP H 1 53 ASP QB . . 3.430 2.666 2.521 2.881 . 0 0 "[ . 1 . 2]" 1
1092 1 53 ASP H 1 53 ASP HB3 . . 4.090 3.163 2.648 3.558 . 0 0 "[ . 1 . 2]" 1
1093 1 53 ASP H 1 54 ILE H . . 4.370 3.967 3.595 4.156 . 0 0 "[ . 1 . 2]" 1
1094 1 53 ASP H 1 54 ILE MD . . 4.590 4.003 3.358 4.545 . 0 0 "[ . 1 . 2]" 1
1095 1 53 ASP HA 1 54 ILE H . . 2.930 2.163 2.139 2.315 . 0 0 "[ . 1 . 2]" 1
1096 1 53 ASP HA 1 54 ILE HB . . 5.270 4.776 4.678 4.861 . 0 0 "[ . 1 . 2]" 1
1097 1 53 ASP QB 1 54 ILE H . . 4.080 3.705 3.434 3.921 . 0 0 "[ . 1 . 2]" 1
1098 1 53 ASP QB 1 55 THR MG . . 4.580 3.454 2.750 4.249 . 0 0 "[ . 1 . 2]" 1
1099 1 53 ASP HB2 1 54 ILE H . . 4.670 4.305 3.564 4.667 . 0 0 "[ . 1 . 2]" 1
1100 1 53 ASP HB3 1 54 ILE H . . 4.670 4.197 3.779 4.616 . 0 0 "[ . 1 . 2]" 1
1101 1 54 ILE H 1 54 ILE HB . . 3.510 2.638 2.565 2.727 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ILE H 1 54 ILE MD . . 4.040 3.465 3.174 3.748 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ILE H 1 54 ILE HG12 . . 3.740 2.167 1.916 2.451 . 0 0 "[ . 1 . 2]" 1
1104 1 54 ILE H 1 54 ILE MG . . 4.010 3.808 3.773 3.845 . 0 0 "[ . 1 . 2]" 1
1105 1 54 ILE H 1 55 THR H . . 4.550 4.335 4.145 4.474 . 0 0 "[ . 1 . 2]" 1
1106 1 54 ILE H 1 55 THR MG . . 4.760 4.489 4.147 4.696 . 0 0 "[ . 1 . 2]" 1
1107 1 54 ILE HA 1 54 ILE MD . . 3.260 2.261 2.039 2.441 . 0 0 "[ . 1 . 2]" 1
1108 1 54 ILE HA 1 54 ILE MG . . 3.540 2.237 2.160 2.367 . 0 0 "[ . 1 . 2]" 1
1109 1 54 ILE HA 1 55 THR H . . 2.780 2.154 2.138 2.204 . 0 0 "[ . 1 . 2]" 1
1110 1 54 ILE HA 1 56 LYS H . . 3.970 3.656 3.458 3.878 . 0 0 "[ . 1 . 2]" 1
1111 1 54 ILE HB 1 55 THR H . . 4.530 4.264 4.108 4.381 . 0 0 "[ . 1 . 2]" 1
1112 1 54 ILE HB 1 55 THR HA . . 5.150 4.805 4.688 4.919 . 0 0 "[ . 1 . 2]" 1
1113 1 54 ILE HB 1 56 LYS H . . 4.480 3.685 3.496 3.954 . 0 0 "[ . 1 . 2]" 1
1114 1 54 ILE HB 1 62 TRP HE3 . . 4.140 2.421 2.150 2.668 . 0 0 "[ . 1 . 2]" 1
1115 1 54 ILE MD 1 54 ILE MG . . 3.250 1.926 1.855 2.003 . 0 0 "[ . 1 . 2]" 1
1116 1 54 ILE MD 1 55 THR H . . 4.160 3.961 3.795 4.168 0.008 14 0 "[ . 1 . 2]" 1
1117 1 54 ILE MD 1 56 LYS H . . 4.750 4.552 4.361 4.755 0.005 16 0 "[ . 1 . 2]" 1
1118 1 54 ILE MD 1 62 TRP HE3 . . 5.270 4.539 4.196 4.776 . 0 0 "[ . 1 . 2]" 1
1119 1 54 ILE MD 1 64 PHE H . . 5.500 5.301 4.894 5.496 . 0 0 "[ . 1 . 2]" 1
1120 1 54 ILE MD 1 64 PHE QD . . 4.030 2.846 2.323 3.290 . 0 0 "[ . 1 . 2]" 1
1121 1 54 ILE MD 1 65 ARG H . . 5.020 4.552 4.355 4.756 . 0 0 "[ . 1 . 2]" 1
1122 1 54 ILE HG12 1 55 THR H . . 5.330 5.067 4.903 5.227 . 0 0 "[ . 1 . 2]" 1
1123 1 54 ILE HG12 1 64 PHE HB2 . . 4.330 3.979 3.764 4.325 . 0 0 "[ . 1 . 2]" 1
1124 1 54 ILE HG13 1 64 PHE HA . . 5.310 4.528 4.041 5.303 . 0 0 "[ . 1 . 2]" 1
1125 1 54 ILE MG 1 55 THR H . . 3.350 2.951 2.505 3.358 0.008 15 0 "[ . 1 . 2]" 1
1126 1 54 ILE MG 1 56 LYS H . . 2.980 2.005 1.855 2.202 . 0 0 "[ . 1 . 2]" 1
1127 1 54 ILE MG 1 57 PRO HD3 . . 4.600 4.514 4.356 4.605 0.005 12 0 "[ . 1 . 2]" 1
1128 1 54 ILE MG 1 62 TRP HE3 . . 3.740 2.014 1.889 2.403 . 0 0 "[ . 1 . 2]" 1
1129 1 54 ILE MG 1 62 TRP HZ3 . . 3.920 2.821 2.396 3.305 . 0 0 "[ . 1 . 2]" 1
1130 1 55 THR H 1 55 THR HB . . 3.930 3.687 3.628 3.742 . 0 0 "[ . 1 . 2]" 1
1131 1 55 THR H 1 55 THR MG . . 3.190 2.704 2.424 2.925 . 0 0 "[ . 1 . 2]" 1
1132 1 55 THR H 1 56 LYS H . . 2.860 2.851 2.754 2.874 0.014 14 0 "[ . 1 . 2]" 1
1133 1 55 THR H 1 56 LYS QB . . 5.340 3.993 3.806 4.112 . 0 0 "[ . 1 . 2]" 1
1134 1 55 THR HA 1 55 THR MG . . 3.250 2.319 2.160 2.455 . 0 0 "[ . 1 . 2]" 1
1135 1 55 THR HB 1 56 LYS H . . 4.540 4.439 4.377 4.494 . 0 0 "[ . 1 . 2]" 1
1136 1 55 THR MG 1 56 LYS H . . 4.360 4.325 4.263 4.366 0.006 2 0 "[ . 1 . 2]" 1
1137 1 56 LYS H 1 56 LYS HB2 . . 3.970 3.458 3.080 3.877 . 0 0 "[ . 1 . 2]" 1
1138 1 56 LYS H 1 56 LYS HB3 . . 3.970 3.530 3.084 3.893 . 0 0 "[ . 1 . 2]" 1
1139 1 56 LYS H 1 56 LYS QG . . 4.110 4.050 3.997 4.108 . 0 0 "[ . 1 . 2]" 1
1140 1 56 LYS H 1 57 PRO HD2 . . 4.920 4.575 4.383 4.670 . 0 0 "[ . 1 . 2]" 1
1141 1 56 LYS H 1 57 PRO HD3 . . 4.310 4.144 3.790 4.337 0.027 20 0 "[ . 1 . 2]" 1
1142 1 56 LYS HA 1 56 LYS QG . . 3.650 2.390 2.017 2.799 . 0 0 "[ . 1 . 2]" 1
1143 1 56 LYS HA 1 57 PRO HD2 . . 3.390 2.110 1.945 2.211 . 0 0 "[ . 1 . 2]" 1
1144 1 56 LYS HA 1 57 PRO HD3 . . 3.330 2.274 2.254 2.369 . 0 0 "[ . 1 . 2]" 1
1145 1 56 LYS QB 1 56 LYS QD . . 2.580 2.078 1.954 2.238 . 0 0 "[ . 1 . 2]" 1
1146 1 56 LYS QB 1 57 PRO HD2 . . 3.950 3.200 2.912 3.642 . 0 0 "[ . 1 . 2]" 1
1147 1 56 LYS HB2 1 57 PRO HD2 . . 4.520 3.854 3.184 4.532 0.012 4 0 "[ . 1 . 2]" 1
1148 1 56 LYS HB2 1 57 PRO HD3 . . 5.190 4.736 4.232 5.130 . 0 0 "[ . 1 . 2]" 1
1149 1 56 LYS HB3 1 57 PRO HD2 . . 4.520 3.704 2.980 4.494 . 0 0 "[ . 1 . 2]" 1
1150 1 56 LYS HB3 1 57 PRO HD3 . . 5.190 4.691 4.212 5.126 . 0 0 "[ . 1 . 2]" 1
1151 1 56 LYS QG 1 57 PRO HD2 . . 3.780 2.289 1.984 2.812 . 0 0 "[ . 1 . 2]" 1
1152 1 56 LYS QG 1 57 PRO HD3 . . 3.920 3.578 3.213 3.919 . 0 0 "[ . 1 . 2]" 1
1153 1 57 PRO HA 1 58 LYS H . . 2.850 2.504 2.313 2.581 . 0 0 "[ . 1 . 2]" 1
1154 1 57 PRO HA 1 61 ARG H . . 5.400 5.165 4.783 5.404 0.004 13 0 "[ . 1 . 2]" 1
1155 1 57 PRO HA 1 62 TRP HA . . 3.730 2.624 2.348 2.941 . 0 0 "[ . 1 . 2]" 1
1156 1 57 PRO HA 1 63 ILE H . . 3.990 3.910 3.695 3.999 0.009 19 0 "[ . 1 . 2]" 1
1157 1 57 PRO QB 1 58 LYS H . . 3.100 2.320 2.159 2.739 . 0 0 "[ . 1 . 2]" 1
1158 1 57 PRO QB 1 61 ARG H . . 4.770 3.471 3.094 3.910 . 0 0 "[ . 1 . 2]" 1
1159 1 57 PRO QB 1 62 TRP H . . 4.340 4.038 3.689 4.222 . 0 0 "[ . 1 . 2]" 1
1160 1 57 PRO HB2 1 58 LYS H . . 3.650 2.370 2.191 2.844 . 0 0 "[ . 1 . 2]" 1
1161 1 57 PRO HB3 1 58 LYS H . . 3.650 3.338 3.256 3.576 . 0 0 "[ . 1 . 2]" 1
1162 1 57 PRO QG 1 58 LYS H . . 4.560 3.987 3.853 4.315 . 0 0 "[ . 1 . 2]" 1
1163 1 58 LYS H 1 58 LYS QB . . 3.270 2.893 2.349 3.240 . 0 0 "[ . 1 . 2]" 1
1164 1 58 LYS H 1 58 LYS QD . . 4.780 3.713 1.917 4.686 . 0 0 "[ . 1 . 2]" 1
1165 1 58 LYS H 1 58 LYS QG . . 4.660 3.198 1.937 4.215 . 0 0 "[ . 1 . 2]" 1
1166 1 58 LYS H 1 60 GLY H . . 4.360 3.633 3.188 4.273 . 0 0 "[ . 1 . 2]" 1
1167 1 58 LYS H 1 61 ARG H . . 3.680 3.543 3.095 3.683 0.003 18 0 "[ . 1 . 2]" 1
1168 1 58 LYS H 1 62 TRP HA . . 4.150 3.554 2.701 4.150 . 0 0 "[ . 1 . 2]" 1
1169 1 58 LYS H 1 63 ILE MD . . 4.570 4.169 3.928 4.498 . 0 0 "[ . 1 . 2]" 1
1170 1 58 LYS H 1 63 ILE HG13 . . 5.130 4.362 3.866 4.820 . 0 0 "[ . 1 . 2]" 1
1171 1 58 LYS HA 1 58 LYS QG . . 3.740 3.057 2.382 3.438 . 0 0 "[ . 1 . 2]" 1
1172 1 58 LYS QB 1 59 ASN QB . . 5.160 3.781 3.170 4.192 . 0 0 "[ . 1 . 2]" 1
1173 1 58 LYS QD 1 59 ASN HA . . 5.430 5.140 4.666 5.437 0.007 5 0 "[ . 1 . 2]" 1
1174 1 58 LYS QD 1 59 ASN HB2 . . 4.760 3.309 2.744 4.265 . 0 0 "[ . 1 . 2]" 1
1175 1 58 LYS QD 1 59 ASN QB . . 4.120 3.192 2.704 3.914 . 0 0 "[ . 1 . 2]" 1
1176 1 58 LYS QD 1 59 ASN HB3 . . 4.760 4.408 3.835 4.744 . 0 0 "[ . 1 . 2]" 1
1177 1 58 LYS QD 1 63 ILE MD . . 3.150 2.043 1.878 2.576 . 0 0 "[ . 1 . 2]" 1
1178 1 58 LYS QD 1 63 ILE HG12 . . 4.490 4.272 3.698 4.496 0.006 6 0 "[ . 1 . 2]" 1
1179 1 58 LYS QD 1 63 ILE HG13 . . 4.240 3.470 2.537 4.014 . 0 0 "[ . 1 . 2]" 1
1180 1 58 LYS QE 1 63 ILE H . . 4.150 3.477 2.095 4.130 . 0 0 "[ . 1 . 2]" 1
1181 1 58 LYS QE 1 63 ILE HB . . 3.930 2.294 1.946 3.072 . 0 0 "[ . 1 . 2]" 1
1182 1 58 LYS QE 1 63 ILE MD . . 4.000 3.248 2.805 3.981 . 0 0 "[ . 1 . 2]" 1
1183 1 58 LYS QE 1 63 ILE MG . . 4.640 3.167 2.407 4.136 . 0 0 "[ . 1 . 2]" 1
1184 1 58 LYS QE 1 64 PHE H . . 5.210 4.903 4.573 5.199 . 0 0 "[ . 1 . 2]" 1
1185 1 58 LYS QE 1 64 PHE HA . . 4.650 4.215 3.830 4.620 . 0 0 "[ . 1 . 2]" 1
1186 1 58 LYS QG 1 59 ASN HA . . 5.340 4.223 3.606 5.340 . 0 0 "[ . 1 . 2]" 1
1187 1 59 ASN HA 1 59 ASN QD . . 4.500 3.563 2.747 3.956 . 0 0 "[ . 1 . 2]" 1
1188 1 59 ASN HA 1 60 GLY H . . 3.170 2.801 2.387 3.183 0.013 4 0 "[ . 1 . 2]" 1
1189 1 59 ASN HA 1 61 ARG H . . 4.530 4.263 3.998 4.520 . 0 0 "[ . 1 . 2]" 1
1190 1 59 ASN QB 1 60 GLY H . . 4.030 3.826 3.521 3.943 . 0 0 "[ . 1 . 2]" 1
1191 1 59 ASN QB 1 61 ARG H . . 4.110 3.370 3.064 3.914 . 0 0 "[ . 1 . 2]" 1
1192 1 59 ASN HB2 1 60 GLY H . . 4.710 4.441 4.185 4.654 . 0 0 "[ . 1 . 2]" 1
1193 1 59 ASN HB2 1 61 ARG H . . 4.720 4.227 3.691 4.720 . 0 0 "[ . 1 . 2]" 1
1194 1 59 ASN HB3 1 60 GLY H . . 4.710 4.182 3.773 4.370 . 0 0 "[ . 1 . 2]" 1
1195 1 59 ASN HB3 1 61 ARG H . . 4.720 3.620 3.130 4.293 . 0 0 "[ . 1 . 2]" 1
1196 1 60 GLY H 1 61 ARG H . . 3.080 2.792 2.411 2.986 . 0 0 "[ . 1 . 2]" 1
1197 1 61 ARG H 1 61 ARG HB2 . . 3.670 3.144 2.848 3.621 . 0 0 "[ . 1 . 2]" 1
1198 1 61 ARG H 1 61 ARG HB3 . . 4.030 3.822 3.629 3.904 . 0 0 "[ . 1 . 2]" 1
1199 1 61 ARG H 1 61 ARG HD2 . . 4.790 3.383 2.113 4.524 . 0 0 "[ . 1 . 2]" 1
1200 1 61 ARG H 1 61 ARG QD . . 4.030 2.910 1.954 4.061 0.031 20 0 "[ . 1 . 2]" 1
1201 1 61 ARG H 1 61 ARG HD3 . . 4.790 3.545 1.970 4.797 0.007 19 0 "[ . 1 . 2]" 1
1202 1 61 ARG H 1 61 ARG QG . . 3.930 2.502 1.951 3.045 . 0 0 "[ . 1 . 2]" 1
1203 1 61 ARG H 1 62 TRP H . . 4.540 4.442 4.387 4.470 . 0 0 "[ . 1 . 2]" 1
1204 1 61 ARG H 1 63 ILE MD . . 4.230 3.744 3.553 3.993 . 0 0 "[ . 1 . 2]" 1
1205 1 61 ARG H 1 63 ILE HG12 . . 5.500 5.370 5.158 5.491 . 0 0 "[ . 1 . 2]" 1
1206 1 61 ARG H 1 63 ILE HG13 . . 4.360 4.106 3.934 4.246 . 0 0 "[ . 1 . 2]" 1
1207 1 61 ARG HA 1 61 ARG QD . . 5.070 3.769 2.857 4.362 . 0 0 "[ . 1 . 2]" 1
1208 1 61 ARG HA 1 62 TRP H . . 2.980 2.447 2.371 2.557 . 0 0 "[ . 1 . 2]" 1
1209 1 61 ARG HB2 1 61 ARG QD . . 3.610 2.467 1.950 3.340 . 0 0 "[ . 1 . 2]" 1
1210 1 61 ARG HB2 1 62 TRP H . . 3.480 2.965 2.293 3.428 . 0 0 "[ . 1 . 2]" 1
1211 1 61 ARG HB3 1 62 TRP H . . 3.420 2.723 2.495 3.225 . 0 0 "[ . 1 . 2]" 1
1212 1 61 ARG QD 1 62 TRP H . . 5.340 4.808 4.350 5.165 . 0 0 "[ . 1 . 2]" 1
1213 1 62 TRP H 1 62 TRP HB2 . . 3.820 2.652 2.574 2.725 . 0 0 "[ . 1 . 2]" 1
1214 1 62 TRP H 1 62 TRP QB . . 3.280 2.592 2.523 2.652 . 0 0 "[ . 1 . 2]" 1
1215 1 62 TRP H 1 62 TRP HB3 . . 3.820 3.650 3.626 3.669 . 0 0 "[ . 1 . 2]" 1
1216 1 62 TRP H 1 62 TRP HD1 . . 3.580 2.067 1.904 2.230 . 0 0 "[ . 1 . 2]" 1
1217 1 62 TRP H 1 62 TRP HE1 . . 4.700 4.292 4.093 4.438 . 0 0 "[ . 1 . 2]" 1
1218 1 62 TRP H 1 63 ILE H . . 4.360 4.153 4.024 4.289 . 0 0 "[ . 1 . 2]" 1
1219 1 62 TRP H 1 63 ILE MD . . 5.500 5.441 5.329 5.507 0.007 20 0 "[ . 1 . 2]" 1
1220 1 62 TRP H 1 63 ILE HG12 . . 5.500 5.378 5.183 5.497 . 0 0 "[ . 1 . 2]" 1
1221 1 62 TRP H 1 63 ILE HG13 . . 4.740 4.325 4.205 4.411 . 0 0 "[ . 1 . 2]" 1
1222 1 62 TRP HA 1 63 ILE H . . 2.760 2.215 2.156 2.269 . 0 0 "[ . 1 . 2]" 1
1223 1 62 TRP QB 1 63 ILE H . . 4.400 3.668 3.512 3.759 . 0 0 "[ . 1 . 2]" 1
1224 1 63 ILE H 1 63 ILE HB . . 3.060 2.639 2.560 2.726 . 0 0 "[ . 1 . 2]" 1
1225 1 63 ILE H 1 63 ILE MD . . 3.920 3.517 3.333 3.655 . 0 0 "[ . 1 . 2]" 1
1226 1 63 ILE H 1 63 ILE HG12 . . 3.890 3.726 3.612 3.836 . 0 0 "[ . 1 . 2]" 1
1227 1 63 ILE H 1 63 ILE HG13 . . 3.490 2.321 2.193 2.451 . 0 0 "[ . 1 . 2]" 1
1228 1 63 ILE H 1 63 ILE MG . . 3.940 3.832 3.808 3.854 . 0 0 "[ . 1 . 2]" 1
1229 1 63 ILE H 1 64 PHE H . . 4.660 4.531 4.501 4.559 . 0 0 "[ . 1 . 2]" 1
1230 1 63 ILE HA 1 63 ILE HG12 . . 3.700 2.771 2.671 2.876 . 0 0 "[ . 1 . 2]" 1
1231 1 63 ILE HA 1 63 ILE MG . . 3.460 2.281 2.149 2.395 . 0 0 "[ . 1 . 2]" 1
1232 1 63 ILE HA 1 64 PHE H . . 2.950 2.217 2.182 2.279 . 0 0 "[ . 1 . 2]" 1
1233 1 63 ILE HB 1 63 ILE MD . . 3.520 2.244 2.138 2.370 . 0 0 "[ . 1 . 2]" 1
1234 1 63 ILE HB 1 64 PHE H . . 3.960 3.873 3.657 3.970 0.010 13 0 "[ . 1 . 2]" 1
1235 1 63 ILE HG12 1 64 PHE H . . 4.660 4.475 4.337 4.634 . 0 0 "[ . 1 . 2]" 1
1236 1 63 ILE HG13 1 64 PHE H . . 5.500 4.923 4.863 4.989 . 0 0 "[ . 1 . 2]" 1
1237 1 63 ILE MG 1 64 PHE H . . 3.490 2.138 1.919 2.283 . 0 0 "[ . 1 . 2]" 1
1238 1 63 ILE MG 1 65 ARG H . . 4.990 4.681 4.425 4.976 . 0 0 "[ . 1 . 2]" 1
1239 1 63 ILE MG 1 65 ARG QD . . 4.680 2.537 1.956 3.894 . 0 0 "[ . 1 . 2]" 1
1240 1 64 PHE H 1 64 PHE HB2 . . 3.650 3.377 3.275 3.504 . 0 0 "[ . 1 . 2]" 1
1241 1 64 PHE H 1 64 PHE HB3 . . 3.590 2.671 2.543 2.772 . 0 0 "[ . 1 . 2]" 1
1242 1 64 PHE H 1 64 PHE QD . . 4.480 4.234 3.824 4.372 . 0 0 "[ . 1 . 2]" 1
1243 1 64 PHE H 1 65 ARG H . . 4.430 4.411 4.354 4.448 0.018 5 0 "[ . 1 . 2]" 1
1244 1 64 PHE HA 1 65 ARG H . . 2.620 2.282 2.217 2.391 . 0 0 "[ . 1 . 2]" 1
1245 1 64 PHE HA 1 65 ARG HD2 . . 3.720 3.195 2.745 3.582 . 0 0 "[ . 1 . 2]" 1
1246 1 64 PHE HA 1 65 ARG HD3 . . 3.720 3.359 2.587 3.711 . 0 0 "[ . 1 . 2]" 1
1247 1 64 PHE HA 1 65 ARG QG . . 5.240 4.164 3.508 4.790 . 0 0 "[ . 1 . 2]" 1
1248 1 64 PHE HB3 1 65 ARG H . . 4.060 3.975 3.751 4.061 0.001 7 0 "[ . 1 . 2]" 1
1249 1 64 PHE QD 1 65 ARG H . . 4.300 2.408 1.969 3.156 . 0 0 "[ . 1 . 2]" 1
1250 1 64 PHE QE 1 66 ASP H . . 4.970 4.404 3.549 4.863 . 0 0 "[ . 1 . 2]" 1
1251 1 65 ARG H 1 65 ARG QB . . 3.670 2.875 2.675 3.244 . 0 0 "[ . 1 . 2]" 1
1252 1 65 ARG H 1 65 ARG HG2 . . 4.710 4.095 2.396 4.718 0.008 7 0 "[ . 1 . 2]" 1
1253 1 65 ARG H 1 65 ARG QG . . 4.120 3.283 2.377 3.725 . 0 0 "[ . 1 . 2]" 1
1254 1 65 ARG H 1 65 ARG HG3 . . 4.710 3.722 3.071 4.249 . 0 0 "[ . 1 . 2]" 1
1255 1 65 ARG H 1 66 ASP H . . 4.310 4.273 4.114 4.342 0.032 15 0 "[ . 1 . 2]" 1
1256 1 65 ARG HA 1 66 ASP H . . 2.700 2.180 2.139 2.299 . 0 0 "[ . 1 . 2]" 1
1257 1 65 ARG QB 1 65 ARG QD . . 3.270 2.041 1.961 2.308 . 0 0 "[ . 1 . 2]" 1
1258 1 65 ARG HB2 1 66 ASP H . . 4.330 3.821 2.730 4.196 . 0 0 "[ . 1 . 2]" 1
1259 1 65 ARG HB3 1 66 ASP H . . 4.330 3.403 3.014 4.021 . 0 0 "[ . 1 . 2]" 1
1260 1 66 ASP H 1 66 ASP QB . . 3.250 2.355 2.231 2.715 . 0 0 "[ . 1 . 2]" 1
1261 1 66 ASP H 1 68 ASN H . . 5.500 5.286 5.033 5.381 . 0 0 "[ . 1 . 2]" 1
1262 1 66 ASP H 1 69 ALA MB . . 4.950 4.627 4.463 4.824 . 0 0 "[ . 1 . 2]" 1
1263 1 66 ASP QB 1 68 ASN H . . 4.290 2.528 2.215 2.959 . 0 0 "[ . 1 . 2]" 1
1264 1 66 ASP QB 1 69 ALA H . . 3.960 3.171 2.803 3.626 . 0 0 "[ . 1 . 2]" 1
1265 1 66 ASP QB 1 69 ALA MB . . 3.970 2.775 2.634 3.007 . 0 0 "[ . 1 . 2]" 1
1266 1 67 ARG HA 1 67 ARG QD . . 4.490 3.857 2.946 4.266 . 0 0 "[ . 1 . 2]" 1
1267 1 67 ARG HA 1 67 ARG QG . . 3.460 2.522 2.038 3.343 . 0 0 "[ . 1 . 2]" 1
1268 1 67 ARG HA 1 69 ALA H . . 4.330 3.728 3.622 3.826 . 0 0 "[ . 1 . 2]" 1
1269 1 67 ARG HB2 1 68 ASN H . . 4.520 4.172 3.790 4.521 0.001 16 0 "[ . 1 . 2]" 1
1270 1 67 ARG HB3 1 68 ASN H . . 4.520 4.276 3.895 4.538 0.018 1 0 "[ . 1 . 2]" 1
1271 1 67 ARG QG 1 68 ASN H . . 4.710 4.271 3.200 4.701 . 0 0 "[ . 1 . 2]" 1
1272 1 68 ASN H 1 68 ASN HB2 . . 4.010 3.672 2.946 3.975 . 0 0 "[ . 1 . 2]" 1
1273 1 68 ASN H 1 68 ASN QB . . 3.260 3.012 2.861 3.156 . 0 0 "[ . 1 . 2]" 1
1274 1 68 ASN H 1 68 ASN HB3 . . 4.010 3.340 3.018 3.880 . 0 0 "[ . 1 . 2]" 1
1275 1 68 ASN H 1 68 ASN HD21 . . 4.590 3.056 1.917 4.328 . 0 0 "[ . 1 . 2]" 1
1276 1 68 ASN H 1 68 ASN QD . . 3.900 2.885 1.903 3.877 . 0 0 "[ . 1 . 2]" 1
1277 1 68 ASN H 1 68 ASN HD22 . . 4.590 3.723 3.214 4.376 . 0 0 "[ . 1 . 2]" 1
1278 1 68 ASN H 1 69 ALA H . . 2.690 2.003 1.863 2.307 . 0 0 "[ . 1 . 2]" 1
1279 1 68 ASN H 1 69 ALA HA . . 4.590 4.434 4.360 4.505 . 0 0 "[ . 1 . 2]" 1
1280 1 68 ASN H 1 69 ALA MB . . 3.720 3.464 3.327 3.567 . 0 0 "[ . 1 . 2]" 1
1281 1 68 ASN HA 1 69 ALA H . . 3.520 3.116 2.923 3.271 . 0 0 "[ . 1 . 2]" 1
1282 1 68 ASN HA 1 69 ALA HA . . 4.700 4.573 4.472 4.683 . 0 0 "[ . 1 . 2]" 1
1283 1 68 ASN HB2 1 69 ALA H . . 4.580 4.287 3.718 4.521 . 0 0 "[ . 1 . 2]" 1
1284 1 68 ASN HB3 1 69 ALA H . . 4.580 4.482 4.298 4.648 0.068 15 0 "[ . 1 . 2]" 1
1285 1 69 ALA H 1 69 ALA MB . . 2.810 2.340 2.241 2.427 . 0 0 "[ . 1 . 2]" 1
1286 1 69 ALA H 1 70 ALA H . . 4.210 4.123 3.733 4.256 0.046 8 0 "[ . 1 . 2]" 1
1287 1 69 ALA H 1 70 ALA HA . . 5.140 4.950 4.629 5.157 0.017 14 0 "[ . 1 . 2]" 1
1288 1 69 ALA HA 1 70 ALA H . . 2.620 2.200 2.147 2.312 . 0 0 "[ . 1 . 2]" 1
1289 1 69 ALA HA 1 70 ALA MB . . 4.110 4.042 3.990 4.119 0.009 16 0 "[ . 1 . 2]" 1
1290 1 69 ALA MB 1 70 ALA H . . 3.680 3.482 3.329 3.632 . 0 0 "[ . 1 . 2]" 1
1291 1 69 ALA MB 1 71 LEU H . . 4.200 3.889 3.640 4.151 . 0 0 "[ . 1 . 2]" 1
1292 1 70 ALA H 1 70 ALA MB . . 3.020 2.176 2.075 2.259 . 0 0 "[ . 1 . 2]" 1
1293 1 70 ALA H 1 71 LEU H . . 4.250 3.906 3.701 4.151 . 0 0 "[ . 1 . 2]" 1
1294 1 70 ALA HA 1 71 LEU H . . 2.630 2.312 2.230 2.405 . 0 0 "[ . 1 . 2]" 1
1295 1 70 ALA HA 1 71 LEU HB3 . . 5.160 4.723 4.554 4.821 . 0 0 "[ . 1 . 2]" 1
1296 1 70 ALA HA 1 71 LEU QD . . 3.880 3.559 3.360 3.886 0.006 16 0 "[ . 1 . 2]" 1
1297 1 70 ALA MB 1 71 LEU H . . 3.740 3.631 3.556 3.686 . 0 0 "[ . 1 . 2]" 1
1298 1 70 ALA MB 1 72 LYS QD . . 4.560 4.534 4.435 4.576 0.016 1 0 "[ . 1 . 2]" 1
1299 1 71 LEU H 1 71 LEU HB2 . . 3.990 3.848 3.778 3.953 . 0 0 "[ . 1 . 2]" 1
1300 1 71 LEU H 1 71 LEU HB3 . . 3.380 2.955 2.780 3.083 . 0 0 "[ . 1 . 2]" 1
1301 1 71 LEU H 1 71 LEU MD1 . . 4.160 2.526 1.725 4.228 0.068 9 0 "[ . 1 . 2]" 1
1302 1 71 LEU H 1 71 LEU MD2 . . 4.160 3.165 1.892 3.783 . 0 0 "[ . 1 . 2]" 1
1303 1 71 LEU H 1 72 LYS H . . 4.640 4.446 4.403 4.478 . 0 0 "[ . 1 . 2]" 1
1304 1 71 LEU HA 1 71 LEU MD1 . . 4.290 3.587 3.396 3.985 . 0 0 "[ . 1 . 2]" 1
1305 1 71 LEU HA 1 71 LEU QD . . 3.550 3.153 2.997 3.452 . 0 0 "[ . 1 . 2]" 1
1306 1 71 LEU HA 1 71 LEU MD2 . . 4.290 3.499 3.328 3.783 . 0 0 "[ . 1 . 2]" 1
1307 1 71 LEU HA 1 72 LYS H . . 2.820 2.486 2.465 2.491 . 0 0 "[ . 1 . 2]" 1
1308 1 71 LEU HA 1 72 LYS QD . . 3.750 2.628 2.330 3.038 . 0 0 "[ . 1 . 2]" 1
1309 1 71 LEU HB2 1 72 LYS H . . 3.010 2.388 2.339 2.491 . 0 0 "[ . 1 . 2]" 1
1310 1 71 LEU HB2 1 72 LYS HA . . 4.690 4.580 4.504 4.683 . 0 0 "[ . 1 . 2]" 1
1311 1 71 LEU HB2 1 75 ASP H . . 4.600 4.554 4.426 4.645 0.045 14 0 "[ . 1 . 2]" 1
1312 1 71 LEU HB2 1 75 ASP HB2 . . 4.480 2.597 2.480 2.747 . 0 0 "[ . 1 . 2]" 1
1313 1 71 LEU HB3 1 72 LYS H . . 4.210 3.819 3.787 3.881 . 0 0 "[ . 1 . 2]" 1
1314 1 71 LEU QD 1 72 LYS H . . 3.930 2.431 2.011 3.168 . 0 0 "[ . 1 . 2]" 1
1315 1 71 LEU QD 1 73 ILE H . . 4.370 3.843 3.415 4.413 0.043 9 0 "[ . 1 . 2]" 1
1316 1 71 LEU QD 1 75 ASP H . . 4.000 3.642 3.308 3.998 . 0 0 "[ . 1 . 2]" 1
1317 1 71 LEU QD 1 75 ASP HB2 . . 4.570 2.527 2.136 2.983 . 0 0 "[ . 1 . 2]" 1
1318 1 71 LEU QD 1 75 ASP HB3 . . 5.100 3.274 2.791 3.524 . 0 0 "[ . 1 . 2]" 1
1319 1 71 LEU QD 1 99 VAL MG1 . . 3.500 2.070 1.904 2.277 . 0 0 "[ . 1 . 2]" 1
1320 1 71 LEU QD 1 99 VAL MG2 . . 4.410 1.900 1.710 2.049 . 0 0 "[ . 1 . 2]" 1
1321 1 71 LEU MD1 1 72 LYS H . . 4.520 3.660 3.125 3.980 . 0 0 "[ . 1 . 2]" 1
1322 1 71 LEU MD1 1 99 VAL MG1 . . 4.030 3.439 1.907 4.063 0.033 14 0 "[ . 1 . 2]" 1
1323 1 71 LEU MD2 1 72 LYS H . . 4.520 2.828 2.019 4.486 . 0 0 "[ . 1 . 2]" 1
1324 1 71 LEU MD2 1 99 VAL MG1 . . 4.030 2.672 1.935 4.062 0.032 18 0 "[ . 1 . 2]" 1
1325 1 71 LEU HG 1 99 VAL MG2 . . 4.610 3.315 2.903 4.027 . 0 0 "[ . 1 . 2]" 1
1326 1 72 LYS H 1 72 LYS QB . . 3.380 3.269 3.244 3.307 . 0 0 "[ . 1 . 2]" 1
1327 1 72 LYS H 1 72 LYS HG2 . . 3.770 2.647 2.462 2.767 . 0 0 "[ . 1 . 2]" 1
1328 1 72 LYS H 1 72 LYS HG3 . . 4.400 4.138 4.042 4.231 . 0 0 "[ . 1 . 2]" 1
1329 1 72 LYS H 1 73 ILE H . . 4.290 4.319 4.212 4.380 0.090 6 0 "[ . 1 . 2]" 1
1330 1 72 LYS H 1 75 ASP H . . 3.940 3.701 3.592 3.836 . 0 0 "[ . 1 . 2]" 1
1331 1 72 LYS H 1 75 ASP HB2 . . 4.030 2.683 2.438 2.861 . 0 0 "[ . 1 . 2]" 1
1332 1 72 LYS H 1 75 ASP HB3 . . 4.580 4.139 3.865 4.358 . 0 0 "[ . 1 . 2]" 1
1333 1 72 LYS H 1 99 VAL MG1 . . 4.370 4.129 3.911 4.366 . 0 0 "[ . 1 . 2]" 1
1334 1 72 LYS H 1 99 VAL MG2 . . 4.280 3.980 3.759 4.142 . 0 0 "[ . 1 . 2]" 1
1335 1 72 LYS HA 1 72 LYS QD . . 4.510 3.678 3.545 3.804 . 0 0 "[ . 1 . 2]" 1
1336 1 72 LYS HA 1 73 ILE H . . 2.710 2.297 2.176 2.415 . 0 0 "[ . 1 . 2]" 1
1337 1 72 LYS HA 1 73 ILE HA . . 4.570 4.304 4.298 4.326 . 0 0 "[ . 1 . 2]" 1
1338 1 72 LYS HA 1 102 PHE QE . . 3.570 2.976 2.158 3.584 0.014 14 0 "[ . 1 . 2]" 1
1339 1 72 LYS HA 1 102 PHE HZ . . 4.600 4.214 2.982 4.610 0.010 11 0 "[ . 1 . 2]" 1
1340 1 72 LYS QB 1 73 ILE H . . 4.090 2.668 2.374 3.042 . 0 0 "[ . 1 . 2]" 1
1341 1 72 LYS QB 1 102 PHE HZ . . 4.970 3.512 1.936 4.237 . 0 0 "[ . 1 . 2]" 1
1342 1 72 LYS QD 1 73 ILE H . . 5.320 5.077 4.936 5.204 . 0 0 "[ . 1 . 2]" 1
1343 1 72 LYS HG2 1 73 ILE H . . 4.970 4.213 4.072 4.426 . 0 0 "[ . 1 . 2]" 1
1344 1 72 LYS HG2 1 75 ASP H . . 4.330 4.227 4.054 4.345 0.015 17 0 "[ . 1 . 2]" 1
1345 1 73 ILE H 1 73 ILE HB . . 3.140 2.704 2.571 2.785 . 0 0 "[ . 1 . 2]" 1
1346 1 73 ILE H 1 73 ILE MD . . 4.070 3.343 2.685 3.543 . 0 0 "[ . 1 . 2]" 1
1347 1 73 ILE H 1 73 ILE HG12 . . 3.190 2.000 1.888 2.257 . 0 0 "[ . 1 . 2]" 1
1348 1 73 ILE H 1 73 ILE HG13 . . 3.950 3.397 3.174 3.768 . 0 0 "[ . 1 . 2]" 1
1349 1 73 ILE H 1 73 ILE MG . . 3.870 3.799 3.786 3.817 . 0 0 "[ . 1 . 2]" 1
1350 1 73 ILE H 1 74 GLY H . . 4.550 4.439 4.406 4.488 . 0 0 "[ . 1 . 2]" 1
1351 1 73 ILE H 1 75 ASP H . . 4.910 4.867 4.801 4.940 0.030 18 0 "[ . 1 . 2]" 1
1352 1 73 ILE H 1 99 VAL HB . . 5.180 4.830 4.631 5.024 . 0 0 "[ . 1 . 2]" 1
1353 1 73 ILE H 1 99 VAL MG1 . . 3.270 3.152 2.974 3.294 0.024 19 0 "[ . 1 . 2]" 1
1354 1 73 ILE H 1 102 PHE HZ . . 4.630 3.897 2.837 4.637 0.007 9 0 "[ . 1 . 2]" 1
1355 1 73 ILE HA 1 73 ILE MD . . 3.640 2.254 1.922 2.489 . 0 0 "[ . 1 . 2]" 1
1356 1 73 ILE HA 1 73 ILE MG . . 3.340 2.418 2.348 2.507 . 0 0 "[ . 1 . 2]" 1
1357 1 73 ILE HA 1 74 GLY H . . 2.660 2.145 2.143 2.147 . 0 0 "[ . 1 . 2]" 1
1358 1 73 ILE HA 1 74 GLY HA2 . . 5.190 4.386 4.372 4.406 . 0 0 "[ . 1 . 2]" 1
1359 1 73 ILE HA 1 75 ASP H . . 3.820 3.629 3.544 3.706 . 0 0 "[ . 1 . 2]" 1
1360 1 73 ILE HA 1 99 VAL H . . 5.500 5.243 5.058 5.415 . 0 0 "[ . 1 . 2]" 1
1361 1 73 ILE HA 1 99 VAL HA . . 5.130 4.815 4.680 5.013 . 0 0 "[ . 1 . 2]" 1
1362 1 73 ILE HA 1 99 VAL HB . . 3.910 2.767 2.446 3.003 . 0 0 "[ . 1 . 2]" 1
1363 1 73 ILE HA 1 99 VAL MG1 . . 4.390 2.061 1.921 2.211 . 0 0 "[ . 1 . 2]" 1
1364 1 73 ILE HA 1 99 VAL MG2 . . 4.580 4.035 3.685 4.209 . 0 0 "[ . 1 . 2]" 1
1365 1 73 ILE HA 1 100 GLU HA . . 5.370 4.142 3.831 4.396 . 0 0 "[ . 1 . 2]" 1
1366 1 73 ILE HB 1 73 ILE MD . . 3.660 3.193 3.150 3.225 . 0 0 "[ . 1 . 2]" 1
1367 1 73 ILE HB 1 74 GLY H . . 4.620 4.325 4.257 4.381 . 0 0 "[ . 1 . 2]" 1
1368 1 73 ILE MD 1 74 GLY H . . 4.120 3.688 3.354 3.975 . 0 0 "[ . 1 . 2]" 1
1369 1 73 ILE MD 1 100 GLU HA . . 3.790 2.580 2.013 3.078 . 0 0 "[ . 1 . 2]" 1
1370 1 73 ILE MD 1 101 GLY H . . 4.120 2.733 2.338 3.051 . 0 0 "[ . 1 . 2]" 1
1371 1 73 ILE MD 1 101 GLY HA2 . . 4.330 3.142 2.716 3.369 . 0 0 "[ . 1 . 2]" 1
1372 1 73 ILE MD 1 101 GLY HA3 . . 4.330 3.888 3.710 4.042 . 0 0 "[ . 1 . 2]" 1
1373 1 73 ILE MD 1 102 PHE H . . 4.250 3.818 2.603 4.251 0.001 8 0 "[ . 1 . 2]" 1
1374 1 73 ILE MD 1 102 PHE QE . . 4.010 3.705 3.476 3.894 . 0 0 "[ . 1 . 2]" 1
1375 1 73 ILE HG12 1 99 VAL MG1 . . 4.830 3.351 3.060 3.868 . 0 0 "[ . 1 . 2]" 1
1376 1 73 ILE HG12 1 101 GLY H . . 5.270 5.003 4.401 5.293 0.023 9 0 "[ . 1 . 2]" 1
1377 1 73 ILE HG13 1 73 ILE MG . . 3.700 2.497 2.125 2.663 . 0 0 "[ . 1 . 2]" 1
1378 1 73 ILE MG 1 74 GLY H . . 3.350 2.789 2.631 2.940 . 0 0 "[ . 1 . 2]" 1
1379 1 73 ILE MG 1 74 GLY HA2 . . 4.570 3.423 3.353 3.500 . 0 0 "[ . 1 . 2]" 1
1380 1 73 ILE MG 1 74 GLY HA3 . . 3.860 3.593 3.421 3.732 . 0 0 "[ . 1 . 2]" 1
1381 1 73 ILE MG 1 75 ASP H . . 5.190 4.602 4.539 4.679 . 0 0 "[ . 1 . 2]" 1
1382 1 73 ILE MG 1 100 GLU H . . 5.500 4.988 4.200 5.331 . 0 0 "[ . 1 . 2]" 1
1383 1 73 ILE MG 1 100 GLU HA . . 3.500 2.978 2.560 3.308 . 0 0 "[ . 1 . 2]" 1
1384 1 73 ILE MG 1 100 GLU QB . . 4.940 4.618 4.235 4.865 . 0 0 "[ . 1 . 2]" 1
1385 1 73 ILE MG 1 101 GLY H . . 4.850 4.697 4.356 4.874 0.024 20 0 "[ . 1 . 2]" 1
1386 1 74 GLY H 1 75 ASP H . . 3.070 2.424 2.266 2.621 . 0 0 "[ . 1 . 2]" 1
1387 1 74 GLY H 1 75 ASP HB2 . . 4.510 4.255 4.141 4.363 . 0 0 "[ . 1 . 2]" 1
1388 1 74 GLY H 1 98 THR MG . . 4.040 3.786 3.585 3.978 . 0 0 "[ . 1 . 2]" 1
1389 1 74 GLY H 1 99 VAL H . . 4.240 3.925 3.714 4.120 . 0 0 "[ . 1 . 2]" 1
1390 1 74 GLY H 1 99 VAL HB . . 3.320 2.043 1.875 2.201 . 0 0 "[ . 1 . 2]" 1
1391 1 74 GLY H 1 99 VAL MG1 . . 4.040 3.026 2.789 3.193 . 0 0 "[ . 1 . 2]" 1
1392 1 74 GLY H 1 99 VAL MG2 . . 3.850 3.636 3.323 3.816 . 0 0 "[ . 1 . 2]" 1
1393 1 74 GLY HA2 1 98 THR MG . . 3.730 3.631 3.465 3.748 0.018 19 0 "[ . 1 . 2]" 1
1394 1 75 ASP H 1 75 ASP HB2 . . 3.240 2.106 2.076 2.164 . 0 0 "[ . 1 . 2]" 1
1395 1 75 ASP H 1 75 ASP HB3 . . 3.640 3.366 3.156 3.477 . 0 0 "[ . 1 . 2]" 1
1396 1 75 ASP H 1 76 LYS H . . 4.680 4.497 4.413 4.564 . 0 0 "[ . 1 . 2]" 1
1397 1 75 ASP H 1 98 THR MG . . 5.460 4.557 4.462 4.646 . 0 0 "[ . 1 . 2]" 1
1398 1 75 ASP H 1 99 VAL H . . 4.190 4.165 4.059 4.204 0.014 14 0 "[ . 1 . 2]" 1
1399 1 75 ASP H 1 99 VAL HB . . 3.150 2.598 2.489 2.780 . 0 0 "[ . 1 . 2]" 1
1400 1 75 ASP H 1 99 VAL MG1 . . 3.740 3.579 3.406 3.747 0.007 16 0 "[ . 1 . 2]" 1
1401 1 75 ASP H 1 99 VAL MG2 . . 3.770 2.842 2.433 3.044 . 0 0 "[ . 1 . 2]" 1
1402 1 75 ASP HA 1 76 LYS H . . 2.860 2.678 2.566 2.802 . 0 0 "[ . 1 . 2]" 1
1403 1 75 ASP HA 1 99 VAL MG2 . . 4.540 3.856 3.555 4.071 . 0 0 "[ . 1 . 2]" 1
1404 1 75 ASP HB2 1 76 LYS H . . 3.930 3.563 3.453 3.708 . 0 0 "[ . 1 . 2]" 1
1405 1 75 ASP HB2 1 99 VAL MG1 . . 3.960 3.747 3.292 3.973 0.013 9 0 "[ . 1 . 2]" 1
1406 1 75 ASP HB3 1 76 LYS H . . 3.740 2.034 1.894 2.267 . 0 0 "[ . 1 . 2]" 1
1407 1 75 ASP HB3 1 77 ILE MD . . 5.330 4.881 4.727 5.111 . 0 0 "[ . 1 . 2]" 1
1408 1 75 ASP HB3 1 99 VAL H . . 4.520 4.457 4.245 4.534 0.014 18 0 "[ . 1 . 2]" 1
1409 1 75 ASP HB3 1 99 VAL MG1 . . 4.730 4.604 4.368 4.749 0.019 14 0 "[ . 1 . 2]" 1
1410 1 76 LYS H 1 76 LYS HB2 . . 3.490 2.723 2.632 2.814 . 0 0 "[ . 1 . 2]" 1
1411 1 76 LYS H 1 76 LYS HB3 . . 3.860 3.675 3.519 3.776 . 0 0 "[ . 1 . 2]" 1
1412 1 76 LYS H 1 76 LYS QD . . 4.910 4.133 3.571 4.724 . 0 0 "[ . 1 . 2]" 1
1413 1 76 LYS H 1 76 LYS QG . . 4.030 3.855 3.774 3.979 . 0 0 "[ . 1 . 2]" 1
1414 1 76 LYS H 1 77 ILE H . . 4.410 4.405 4.386 4.430 0.020 8 0 "[ . 1 . 2]" 1
1415 1 76 LYS H 1 77 ILE QG . . 5.280 3.950 3.760 4.048 . 0 0 "[ . 1 . 2]" 1
1416 1 76 LYS H 1 99 VAL H . . 4.990 4.539 4.400 4.767 . 0 0 "[ . 1 . 2]" 1
1417 1 76 LYS HA 1 76 LYS QE . . 4.860 3.901 3.271 4.351 . 0 0 "[ . 1 . 2]" 1
1418 1 76 LYS HA 1 77 ILE H . . 2.800 2.417 2.308 2.499 . 0 0 "[ . 1 . 2]" 1
1419 1 76 LYS HA 1 97 TRP H . . 4.640 4.526 4.328 4.638 . 0 0 "[ . 1 . 2]" 1
1420 1 76 LYS HA 1 98 THR H . . 4.870 4.707 4.604 4.804 . 0 0 "[ . 1 . 2]" 1
1421 1 76 LYS HA 1 98 THR HA . . 3.370 2.147 1.988 2.282 . 0 0 "[ . 1 . 2]" 1
1422 1 76 LYS HA 1 99 VAL H . . 3.890 2.780 2.561 2.996 . 0 0 "[ . 1 . 2]" 1
1423 1 76 LYS HA 1 99 VAL HB . . 5.060 4.884 4.686 5.082 0.022 14 0 "[ . 1 . 2]" 1
1424 1 76 LYS HB2 1 77 ILE H . . 4.440 3.897 3.702 4.060 . 0 0 "[ . 1 . 2]" 1
1425 1 76 LYS HB2 1 98 THR HA . . 4.800 4.490 4.317 4.661 . 0 0 "[ . 1 . 2]" 1
1426 1 76 LYS HB3 1 77 ILE H . . 3.930 2.520 2.262 2.770 . 0 0 "[ . 1 . 2]" 1
1427 1 76 LYS HB3 1 97 TRP H . . 4.580 4.205 3.971 4.439 . 0 0 "[ . 1 . 2]" 1
1428 1 76 LYS HB3 1 98 THR HA . . 4.410 4.067 3.683 4.263 . 0 0 "[ . 1 . 2]" 1
1429 1 76 LYS QD 1 98 THR HA . . 4.790 4.311 4.111 4.528 . 0 0 "[ . 1 . 2]" 1
1430 1 76 LYS QD 1 98 THR MG . . 4.240 3.597 2.946 4.010 . 0 0 "[ . 1 . 2]" 1
1431 1 76 LYS QE 1 76 LYS QG . . 3.330 2.122 2.047 2.220 . 0 0 "[ . 1 . 2]" 1
1432 1 76 LYS HE2 1 98 THR HA . . 4.310 4.209 3.884 4.309 . 0 0 "[ . 1 . 2]" 1
1433 1 76 LYS HE3 1 98 THR HA . . 4.310 4.182 3.830 4.316 0.006 7 0 "[ . 1 . 2]" 1
1434 1 76 LYS QG 1 77 ILE H . . 3.630 3.197 2.804 3.471 . 0 0 "[ . 1 . 2]" 1
1435 1 76 LYS QG 1 97 TRP H . . 5.300 4.058 3.626 4.476 . 0 0 "[ . 1 . 2]" 1
1436 1 76 LYS QG 1 98 THR H . . 4.620 4.051 3.845 4.283 . 0 0 "[ . 1 . 2]" 1
1437 1 76 LYS HG2 1 77 ILE H . . 4.260 3.458 2.933 3.911 . 0 0 "[ . 1 . 2]" 1
1438 1 76 LYS HG3 1 77 ILE H . . 4.260 3.821 3.570 4.131 . 0 0 "[ . 1 . 2]" 1
1439 1 77 ILE H 1 77 ILE HB . . 3.370 2.811 2.705 2.881 . 0 0 "[ . 1 . 2]" 1
1440 1 77 ILE H 1 77 ILE MD . . 4.420 4.119 3.563 4.341 . 0 0 "[ . 1 . 2]" 1
1441 1 77 ILE H 1 77 ILE HG12 . . 4.330 4.261 4.164 4.337 0.007 14 0 "[ . 1 . 2]" 1
1442 1 77 ILE H 1 77 ILE QG . . 3.700 3.036 2.811 3.162 . 0 0 "[ . 1 . 2]" 1
1443 1 77 ILE H 1 77 ILE HG13 . . 4.330 3.109 2.853 3.254 . 0 0 "[ . 1 . 2]" 1
1444 1 77 ILE H 1 77 ILE MG . . 4.150 3.896 3.841 3.935 . 0 0 "[ . 1 . 2]" 1
1445 1 77 ILE H 1 78 TYR H . . 4.610 4.373 4.333 4.414 . 0 0 "[ . 1 . 2]" 1
1446 1 77 ILE H 1 96 GLU HA . . 4.670 4.141 3.916 4.270 . 0 0 "[ . 1 . 2]" 1
1447 1 77 ILE H 1 97 TRP H . . 3.330 2.555 2.406 2.639 . 0 0 "[ . 1 . 2]" 1
1448 1 77 ILE H 1 97 TRP HB2 . . 4.330 3.724 3.503 3.921 . 0 0 "[ . 1 . 2]" 1
1449 1 77 ILE H 1 97 TRP HB3 . . 4.860 4.706 4.464 4.856 . 0 0 "[ . 1 . 2]" 1
1450 1 77 ILE H 1 98 THR HA . . 3.720 3.485 3.270 3.639 . 0 0 "[ . 1 . 2]" 1
1451 1 77 ILE H 1 99 VAL H . . 5.110 4.766 4.525 5.041 . 0 0 "[ . 1 . 2]" 1
1452 1 77 ILE HA 1 77 ILE MD . . 4.120 3.855 3.799 3.906 . 0 0 "[ . 1 . 2]" 1
1453 1 77 ILE HA 1 77 ILE QG . . 3.690 2.422 2.359 2.501 . 0 0 "[ . 1 . 2]" 1
1454 1 77 ILE HA 1 77 ILE MG . . 3.510 2.399 2.269 2.467 . 0 0 "[ . 1 . 2]" 1
1455 1 77 ILE HA 1 78 TYR H . . 2.830 2.247 2.211 2.291 . 0 0 "[ . 1 . 2]" 1
1456 1 77 ILE HA 1 78 TYR HB2 . . 5.400 4.859 4.797 4.934 . 0 0 "[ . 1 . 2]" 1
1457 1 77 ILE HA 1 97 TRP HB2 . . 5.500 5.017 4.778 5.239 . 0 0 "[ . 1 . 2]" 1
1458 1 77 ILE HB 1 78 TYR H . . 4.350 3.913 3.806 3.991 . 0 0 "[ . 1 . 2]" 1
1459 1 77 ILE HB 1 97 TRP H . . 4.230 3.445 3.184 3.555 . 0 0 "[ . 1 . 2]" 1
1460 1 77 ILE MD 1 78 TYR H . . 5.280 4.847 4.645 5.092 . 0 0 "[ . 1 . 2]" 1
1461 1 77 ILE MD 1 97 TRP HB3 . . 4.640 3.809 3.472 4.330 . 0 0 "[ . 1 . 2]" 1
1462 1 77 ILE MD 1 99 VAL MG1 . . 5.420 4.354 4.169 4.574 . 0 0 "[ . 1 . 2]" 1
1463 1 77 ILE HG12 1 78 TYR H . . 4.980 4.181 4.045 4.476 . 0 0 "[ . 1 . 2]" 1
1464 1 77 ILE HG13 1 78 TYR H . . 4.980 4.836 4.704 4.940 . 0 0 "[ . 1 . 2]" 1
1465 1 77 ILE MG 1 78 TYR H . . 3.460 2.056 1.864 2.265 . 0 0 "[ . 1 . 2]" 1
1466 1 77 ILE MG 1 78 TYR HA . . 4.670 3.273 3.121 3.513 . 0 0 "[ . 1 . 2]" 1
1467 1 77 ILE MG 1 78 TYR QD . . 5.310 4.284 4.109 4.417 . 0 0 "[ . 1 . 2]" 1
1468 1 77 ILE MG 1 79 PHE H . . 4.170 3.366 3.139 3.628 . 0 0 "[ . 1 . 2]" 1
1469 1 77 ILE MG 1 79 PHE HA . . 5.150 4.885 4.762 5.006 . 0 0 "[ . 1 . 2]" 1
1470 1 77 ILE MG 1 79 PHE HB2 . . 4.810 4.659 4.565 4.787 . 0 0 "[ . 1 . 2]" 1
1471 1 77 ILE MG 1 79 PHE HB3 . . 3.870 3.397 3.248 3.498 . 0 0 "[ . 1 . 2]" 1
1472 1 77 ILE MG 1 97 TRP H . . 4.710 4.209 3.936 4.422 . 0 0 "[ . 1 . 2]" 1
1473 1 77 ILE MG 1 97 TRP HB3 . . 5.140 4.638 4.369 4.907 . 0 0 "[ . 1 . 2]" 1
1474 1 78 TYR H 1 78 TYR HB2 . . 3.450 3.120 3.054 3.188 . 0 0 "[ . 1 . 2]" 1
1475 1 78 TYR H 1 78 TYR HB3 . . 4.130 3.960 3.921 3.986 . 0 0 "[ . 1 . 2]" 1
1476 1 78 TYR H 1 78 TYR QD . . 3.600 2.881 2.635 3.046 . 0 0 "[ . 1 . 2]" 1
1477 1 78 TYR H 1 78 TYR QE . . 4.790 4.566 4.419 4.660 . 0 0 "[ . 1 . 2]" 1
1478 1 78 TYR H 1 79 PHE H . . 4.270 3.851 3.760 3.976 . 0 0 "[ . 1 . 2]" 1
1479 1 78 TYR H 1 79 PHE HB2 . . 5.500 5.535 5.500 5.564 0.064 3 0 "[ . 1 . 2]" 1
1480 1 78 TYR H 1 79 PHE HB3 . . 4.250 3.820 3.791 3.848 . 0 0 "[ . 1 . 2]" 1
1481 1 78 TYR HA 1 78 TYR QD . . 3.950 3.100 2.990 3.175 . 0 0 "[ . 1 . 2]" 1
1482 1 78 TYR HA 1 79 PHE H . . 2.680 2.165 2.140 2.191 . 0 0 "[ . 1 . 2]" 1
1483 1 78 TYR HA 1 79 PHE HA . . 4.570 4.353 4.344 4.374 . 0 0 "[ . 1 . 2]" 1
1484 1 78 TYR HA 1 95 GLY H . . 5.150 5.012 4.346 5.152 0.002 3 0 "[ . 1 . 2]" 1
1485 1 78 TYR HA 1 96 GLU HA . . 3.810 3.004 2.823 3.307 . 0 0 "[ . 1 . 2]" 1
1486 1 78 TYR HA 1 96 GLU QB . . 4.640 4.353 4.186 4.558 . 0 0 "[ . 1 . 2]" 1
1487 1 78 TYR HA 1 97 TRP H . . 4.140 3.889 3.786 3.990 . 0 0 "[ . 1 . 2]" 1
1488 1 78 TYR HB2 1 79 PHE H . . 4.400 4.216 4.127 4.274 . 0 0 "[ . 1 . 2]" 1
1489 1 78 TYR HB2 1 96 GLU HA . . 5.290 4.966 4.840 5.155 . 0 0 "[ . 1 . 2]" 1
1490 1 78 TYR HB3 1 79 PHE H . . 4.120 3.820 3.617 3.926 . 0 0 "[ . 1 . 2]" 1
1491 1 78 TYR HB3 1 96 GLU H . . 4.740 4.682 4.481 4.752 0.012 19 0 "[ . 1 . 2]" 1
1492 1 78 TYR QD 1 96 GLU H . . 4.510 4.375 4.138 4.506 . 0 0 "[ . 1 . 2]" 1
1493 1 78 TYR QD 1 96 GLU HA . . 4.650 2.126 1.999 2.331 . 0 0 "[ . 1 . 2]" 1
1494 1 78 TYR QD 1 96 GLU QB . . 4.130 2.860 2.690 3.138 . 0 0 "[ . 1 . 2]" 1
1495 1 78 TYR QD 1 96 GLU QG . . 4.260 3.087 2.695 3.719 . 0 0 "[ . 1 . 2]" 1
1496 1 78 TYR QD 1 97 TRP H . . 4.240 3.760 3.573 4.014 . 0 0 "[ . 1 . 2]" 1
1497 1 78 TYR QE 1 96 GLU QG . . 4.130 2.728 2.378 3.273 . 0 0 "[ . 1 . 2]" 1
1498 1 79 PHE H 1 79 PHE HB2 . . 4.180 4.038 4.015 4.075 . 0 0 "[ . 1 . 2]" 1
1499 1 79 PHE H 1 79 PHE HB3 . . 3.960 3.327 3.265 3.394 . 0 0 "[ . 1 . 2]" 1
1500 1 79 PHE H 1 80 TRP H . . 4.470 4.289 4.233 4.325 . 0 0 "[ . 1 . 2]" 1
1501 1 79 PHE H 1 80 TRP HA . . 4.750 4.593 4.573 4.616 . 0 0 "[ . 1 . 2]" 1
1502 1 79 PHE H 1 95 GLY H . . 4.290 4.190 3.463 4.293 0.003 13 0 "[ . 1 . 2]" 1
1503 1 79 PHE H 1 95 GLY HA2 . . 4.040 2.035 1.898 2.110 . 0 0 "[ . 1 . 2]" 1
1504 1 79 PHE H 1 95 GLY HA3 . . 3.770 2.858 2.517 3.569 . 0 0 "[ . 1 . 2]" 1
1505 1 79 PHE H 1 96 GLU H . . 4.260 3.640 3.504 3.804 . 0 0 "[ . 1 . 2]" 1
1506 1 79 PHE H 1 96 GLU HA . . 5.150 4.779 4.583 5.122 . 0 0 "[ . 1 . 2]" 1
1507 1 79 PHE H 1 97 TRP H . . 5.500 5.460 5.346 5.506 0.006 13 0 "[ . 1 . 2]" 1
1508 1 79 PHE HA 1 80 TRP H . . 2.960 2.802 2.727 2.881 . 0 0 "[ . 1 . 2]" 1
1509 1 79 PHE HA 1 80 TRP HA . . 4.840 4.577 4.516 4.622 . 0 0 "[ . 1 . 2]" 1
1510 1 79 PHE HA 1 95 GLY HA2 . . 4.210 4.081 3.687 4.210 0.000 14 0 "[ . 1 . 2]" 1
1511 1 79 PHE HB2 1 80 TRP H . . 3.530 1.992 1.934 2.066 . 0 0 "[ . 1 . 2]" 1
1512 1 79 PHE HB3 1 80 TRP H . . 3.580 3.487 3.417 3.557 . 0 0 "[ . 1 . 2]" 1
1513 1 80 TRP H 1 80 TRP HD1 . . 3.990 2.568 2.029 3.073 . 0 0 "[ . 1 . 2]" 1
1514 1 80 TRP H 1 80 TRP HE1 . . 4.460 4.219 4.007 4.507 0.047 20 0 "[ . 1 . 2]" 1
1515 1 80 TRP H 1 80 TRP HE3 . . 5.360 5.128 4.844 5.366 0.006 10 0 "[ . 1 . 2]" 1
1516 1 80 TRP H 1 81 THR H . . 4.550 4.372 4.211 4.441 . 0 0 "[ . 1 . 2]" 1
1517 1 80 TRP H 1 81 THR MG . . 4.760 4.301 4.077 4.666 . 0 0 "[ . 1 . 2]" 1
1518 1 80 TRP HA 1 81 THR H . . 2.940 2.362 2.172 2.564 . 0 0 "[ . 1 . 2]" 1
1519 1 80 TRP HA 1 91 ARG QG . . 4.870 4.424 4.073 4.680 . 0 0 "[ . 1 . 2]" 1
1520 1 80 TRP HA 1 92 GLN H . . 5.420 4.623 4.480 4.792 . 0 0 "[ . 1 . 2]" 1
1521 1 80 TRP HA 1 93 ASP H . . 5.500 5.040 4.371 5.515 0.015 11 0 "[ . 1 . 2]" 1
1522 1 80 TRP HA 1 95 GLY H . . 4.590 4.555 4.403 4.602 0.012 18 0 "[ . 1 . 2]" 1
1523 1 80 TRP QB 1 93 ASP HA . . 3.720 2.712 2.442 3.155 . 0 0 "[ . 1 . 2]" 1
1524 1 80 TRP QB 1 94 ASN H . . 5.200 4.893 4.103 5.170 . 0 0 "[ . 1 . 2]" 1
1525 1 80 TRP HB2 1 81 THR H . . 3.720 2.695 2.095 3.420 . 0 0 "[ . 1 . 2]" 1
1526 1 80 TRP HB2 1 93 ASP HA . . 4.330 4.046 3.699 4.345 0.015 20 0 "[ . 1 . 2]" 1
1527 1 80 TRP HB3 1 81 THR H . . 3.720 3.488 3.032 3.701 . 0 0 "[ . 1 . 2]" 1
1528 1 80 TRP HB3 1 93 ASP HA . . 4.330 2.768 2.463 3.293 . 0 0 "[ . 1 . 2]" 1
1529 1 80 TRP HD1 1 81 THR H . . 5.500 5.274 4.721 5.523 0.023 10 0 "[ . 1 . 2]" 1
1530 1 81 THR H 1 81 THR HB . . 4.100 3.714 3.573 3.818 . 0 0 "[ . 1 . 2]" 1
1531 1 81 THR H 1 81 THR MG . . 3.590 3.217 2.973 3.420 . 0 0 "[ . 1 . 2]" 1
1532 1 81 THR H 1 82 PHE H . . 4.710 4.460 4.383 4.559 . 0 0 "[ . 1 . 2]" 1
1533 1 81 THR H 1 82 PHE QD . . 5.500 5.239 4.682 5.513 0.013 20 0 "[ . 1 . 2]" 1
1534 1 81 THR H 1 91 ARG HA . . 4.680 4.339 4.066 4.594 . 0 0 "[ . 1 . 2]" 1
1535 1 81 THR H 1 91 ARG QG . . 4.120 3.133 2.699 3.508 . 0 0 "[ . 1 . 2]" 1
1536 1 81 THR H 1 92 GLN H . . 3.300 2.737 2.476 2.976 . 0 0 "[ . 1 . 2]" 1
1537 1 81 THR H 1 92 GLN HB2 . . 4.440 3.356 2.248 3.870 . 0 0 "[ . 1 . 2]" 1
1538 1 81 THR H 1 92 GLN QB . . 3.640 2.482 2.071 2.887 . 0 0 "[ . 1 . 2]" 1
1539 1 81 THR H 1 92 GLN HB3 . . 4.440 2.586 2.099 3.034 . 0 0 "[ . 1 . 2]" 1
1540 1 81 THR H 1 93 ASP HA . . 5.080 4.980 4.845 5.092 0.012 4 0 "[ . 1 . 2]" 1
1541 1 81 THR HA 1 81 THR MG . . 3.360 2.249 2.142 2.299 . 0 0 "[ . 1 . 2]" 1
1542 1 81 THR HA 1 82 PHE H . . 2.890 2.332 2.243 2.534 . 0 0 "[ . 1 . 2]" 1
1543 1 81 THR HA 1 92 GLN H . . 5.500 4.746 4.567 4.900 . 0 0 "[ . 1 . 2]" 1
1544 1 81 THR HB 1 82 PHE H . . 3.010 2.604 2.112 2.854 . 0 0 "[ . 1 . 2]" 1
1545 1 81 THR MG 1 82 PHE H . . 3.770 3.406 3.230 3.548 . 0 0 "[ . 1 . 2]" 1
1546 1 81 THR MG 1 82 PHE HA . . 5.500 5.380 5.281 5.459 . 0 0 "[ . 1 . 2]" 1
1547 1 81 THR MG 1 92 GLN H . . 5.050 4.809 4.610 4.984 . 0 0 "[ . 1 . 2]" 1
1548 1 81 THR MG 1 92 GLN QB . . 4.300 3.883 3.586 4.134 . 0 0 "[ . 1 . 2]" 1
1549 1 82 PHE H 1 82 PHE HB2 . . 3.720 2.530 2.372 2.864 . 0 0 "[ . 1 . 2]" 1
1550 1 82 PHE H 1 82 PHE QB . . 3.180 2.439 2.303 2.707 . 0 0 "[ . 1 . 2]" 1
1551 1 82 PHE H 1 82 PHE HB3 . . 3.720 3.222 3.011 3.363 . 0 0 "[ . 1 . 2]" 1
1552 1 82 PHE H 1 83 VAL H . . 4.650 4.445 4.212 4.543 . 0 0 "[ . 1 . 2]" 1
1553 1 82 PHE H 1 83 VAL MG1 . . 5.160 4.454 3.680 4.880 . 0 0 "[ . 1 . 2]" 1
1554 1 82 PHE HA 1 82 PHE QE . . 4.430 4.393 4.274 4.436 0.006 19 0 "[ . 1 . 2]" 1
1555 1 82 PHE HA 1 83 VAL H . . 2.700 2.226 2.160 2.285 . 0 0 "[ . 1 . 2]" 1
1556 1 82 PHE HA 1 83 VAL MG1 . . 4.750 4.400 3.978 4.758 0.008 9 0 "[ . 1 . 2]" 1
1557 1 82 PHE HA 1 83 VAL MG2 . . 4.490 3.176 3.047 3.337 . 0 0 "[ . 1 . 2]" 1
1558 1 82 PHE HA 1 90 TYR H . . 5.160 5.003 4.553 5.160 0.000 20 0 "[ . 1 . 2]" 1
1559 1 82 PHE HA 1 91 ARG HA . . 2.870 2.535 2.190 2.740 . 0 0 "[ . 1 . 2]" 1
1560 1 82 PHE HA 1 91 ARG QB . . 4.250 2.558 2.113 3.209 . 0 0 "[ . 1 . 2]" 1
1561 1 82 PHE HA 1 91 ARG QG . . 4.360 3.183 2.458 3.975 . 0 0 "[ . 1 . 2]" 1
1562 1 82 PHE HA 1 92 GLN H . . 4.200 3.995 3.629 4.201 0.001 6 0 "[ . 1 . 2]" 1
1563 1 82 PHE QB 1 83 VAL H . . 4.030 3.261 3.105 3.508 . 0 0 "[ . 1 . 2]" 1
1564 1 82 PHE HB2 1 83 VAL H . . 4.690 4.304 4.203 4.438 . 0 0 "[ . 1 . 2]" 1
1565 1 82 PHE HB3 1 83 VAL H . . 4.690 3.379 3.196 3.699 . 0 0 "[ . 1 . 2]" 1
1566 1 82 PHE QD 1 84 ILE MD . . 4.240 3.841 3.299 4.211 . 0 0 "[ . 1 . 2]" 1
1567 1 82 PHE QE 1 83 VAL H . . 4.700 4.591 4.378 4.707 0.007 13 0 "[ . 1 . 2]" 1
1568 1 82 PHE QE 1 91 ARG QD . . 5.100 3.275 1.981 5.070 . 0 0 "[ . 1 . 2]" 1
1569 1 82 PHE QE 1 91 ARG QG . . 4.160 3.084 2.544 3.754 . 0 0 "[ . 1 . 2]" 1
1570 1 83 VAL H 1 83 VAL HB . . 3.850 3.652 3.495 3.801 . 0 0 "[ . 1 . 2]" 1
1571 1 83 VAL H 1 83 VAL MG1 . . 3.920 3.602 3.249 3.800 . 0 0 "[ . 1 . 2]" 1
1572 1 83 VAL H 1 83 VAL MG2 . . 3.360 2.100 1.885 2.272 . 0 0 "[ . 1 . 2]" 1
1573 1 83 VAL H 1 84 ILE H . . 4.480 4.416 4.401 4.445 . 0 0 "[ . 1 . 2]" 1
1574 1 83 VAL H 1 84 ILE MD . . 5.470 5.315 5.166 5.454 . 0 0 "[ . 1 . 2]" 1
1575 1 83 VAL H 1 84 ILE HG13 . . 4.310 4.151 3.991 4.288 . 0 0 "[ . 1 . 2]" 1
1576 1 83 VAL H 1 89 GLY HA2 . . 4.630 4.583 4.354 4.633 0.003 20 0 "[ . 1 . 2]" 1
1577 1 83 VAL H 1 90 TYR H . . 3.230 3.131 2.880 3.238 0.008 5 0 "[ . 1 . 2]" 1
1578 1 83 VAL H 1 90 TYR HB3 . . 5.290 4.997 4.848 5.286 . 0 0 "[ . 1 . 2]" 1
1579 1 83 VAL H 1 91 ARG HA . . 3.830 3.432 3.206 3.731 . 0 0 "[ . 1 . 2]" 1
1580 1 83 VAL H 1 92 GLN H . . 5.500 5.322 4.910 5.495 . 0 0 "[ . 1 . 2]" 1
1581 1 83 VAL HA 1 83 VAL MG1 . . 3.430 2.079 1.954 2.207 . 0 0 "[ . 1 . 2]" 1
1582 1 83 VAL HA 1 84 ILE H . . 2.780 2.482 2.423 2.599 . 0 0 "[ . 1 . 2]" 1
1583 1 83 VAL HB 1 84 ILE H . . 3.790 2.338 1.962 2.551 . 0 0 "[ . 1 . 2]" 1
1584 1 83 VAL HB 1 85 LYS H . . 4.660 4.123 4.024 4.357 . 0 0 "[ . 1 . 2]" 1
1585 1 83 VAL HB 1 90 TYR HB2 . . 4.410 3.487 2.877 4.335 . 0 0 "[ . 1 . 2]" 1
1586 1 83 VAL MG1 1 84 ILE H . . 3.840 2.923 2.501 3.292 . 0 0 "[ . 1 . 2]" 1
1587 1 83 VAL MG1 1 84 ILE HB . . 5.500 5.205 4.880 5.506 0.006 18 0 "[ . 1 . 2]" 1
1588 1 83 VAL MG1 1 90 TYR H . . 5.210 4.959 4.847 5.095 . 0 0 "[ . 1 . 2]" 1
1589 1 83 VAL MG2 1 84 ILE H . . 4.000 3.783 3.323 3.982 . 0 0 "[ . 1 . 2]" 1
1590 1 83 VAL MG2 1 90 TYR H . . 3.690 2.784 2.342 3.207 . 0 0 "[ . 1 . 2]" 1
1591 1 83 VAL MG2 1 90 TYR HB2 . . 4.400 2.027 1.801 2.345 . 0 0 "[ . 1 . 2]" 1
1592 1 83 VAL MG2 1 90 TYR HB3 . . 3.940 2.984 2.662 3.234 . 0 0 "[ . 1 . 2]" 1
1593 1 83 VAL MG2 1 90 TYR QD . . 5.290 3.464 2.209 3.930 . 0 0 "[ . 1 . 2]" 1
1594 1 84 ILE H 1 84 ILE HB . . 3.320 2.881 2.814 2.938 . 0 0 "[ . 1 . 2]" 1
1595 1 84 ILE H 1 84 ILE MD . . 4.460 4.311 4.197 4.465 0.005 6 0 "[ . 1 . 2]" 1
1596 1 84 ILE H 1 84 ILE HG12 . . 4.410 4.247 4.165 4.348 . 0 0 "[ . 1 . 2]" 1
1597 1 84 ILE H 1 84 ILE HG13 . . 3.890 3.205 3.124 3.308 . 0 0 "[ . 1 . 2]" 1
1598 1 84 ILE H 1 84 ILE MG . . 3.950 3.916 3.863 3.941 . 0 0 "[ . 1 . 2]" 1
1599 1 84 ILE H 1 85 LYS H . . 4.250 3.696 3.655 3.748 . 0 0 "[ . 1 . 2]" 1
1600 1 84 ILE H 1 85 LYS QB . . 4.210 4.233 4.194 4.277 0.067 3 0 "[ . 1 . 2]" 1
1601 1 84 ILE H 1 89 GLY HA2 . . 5.170 4.774 4.604 4.960 . 0 0 "[ . 1 . 2]" 1
1602 1 84 ILE HA 1 84 ILE MD . . 4.020 3.833 3.762 3.866 . 0 0 "[ . 1 . 2]" 1
1603 1 84 ILE HA 1 84 ILE HG12 . . 4.210 2.543 2.418 2.622 . 0 0 "[ . 1 . 2]" 1
1604 1 84 ILE HA 1 84 ILE MG . . 3.390 2.416 2.318 2.483 . 0 0 "[ . 1 . 2]" 1
1605 1 84 ILE HA 1 85 LYS H . . 2.870 2.208 2.191 2.214 . 0 0 "[ . 1 . 2]" 1
1606 1 84 ILE HA 1 88 LEU H . . 4.470 4.132 3.910 4.297 . 0 0 "[ . 1 . 2]" 1
1607 1 84 ILE HA 1 89 GLY H . . 3.790 2.854 2.558 3.216 . 0 0 "[ . 1 . 2]" 1
1608 1 84 ILE HA 1 90 TYR H . . 3.850 3.162 2.922 3.446 . 0 0 "[ . 1 . 2]" 1
1609 1 84 ILE HB 1 84 ILE MD . . 3.530 2.333 2.234 2.422 . 0 0 "[ . 1 . 2]" 1
1610 1 84 ILE MD 1 85 LYS H . . 5.500 5.488 5.416 5.523 0.023 7 0 "[ . 1 . 2]" 1
1611 1 84 ILE HG12 1 85 LYS H . . 4.950 4.702 4.588 4.781 . 0 0 "[ . 1 . 2]" 1
1612 1 84 ILE HG13 1 90 TYR H . . 4.700 4.436 4.196 4.640 . 0 0 "[ . 1 . 2]" 1
1613 1 84 ILE MG 1 85 LYS H . . 3.470 3.273 3.138 3.345 . 0 0 "[ . 1 . 2]" 1
1614 1 84 ILE MG 1 87 GLY H . . 3.220 2.967 2.625 3.170 . 0 0 "[ . 1 . 2]" 1
1615 1 84 ILE MG 1 87 GLY HA2 . . 4.440 2.632 2.488 2.751 . 0 0 "[ . 1 . 2]" 1
1616 1 84 ILE MG 1 87 GLY QA . . 3.750 2.601 2.461 2.715 . 0 0 "[ . 1 . 2]" 1
1617 1 84 ILE MG 1 87 GLY HA3 . . 4.440 4.063 3.887 4.194 . 0 0 "[ . 1 . 2]" 1
1618 1 84 ILE MG 1 88 LEU H . . 3.680 3.328 3.032 3.469 . 0 0 "[ . 1 . 2]" 1
1619 1 84 ILE MG 1 89 GLY H . . 4.760 3.501 3.161 3.958 . 0 0 "[ . 1 . 2]" 1
1620 1 85 LYS H 1 85 LYS HB2 . . 4.040 3.111 2.987 3.246 . 0 0 "[ . 1 . 2]" 1
1621 1 85 LYS H 1 85 LYS QB . . 3.470 2.397 2.335 2.460 . 0 0 "[ . 1 . 2]" 1
1622 1 85 LYS H 1 85 LYS HB3 . . 4.040 2.497 2.394 2.591 . 0 0 "[ . 1 . 2]" 1
1623 1 85 LYS H 1 85 LYS QG . . 4.260 4.029 3.841 4.119 . 0 0 "[ . 1 . 2]" 1
1624 1 85 LYS H 1 86 ASP QB . . 5.110 4.947 4.784 5.058 . 0 0 "[ . 1 . 2]" 1
1625 1 85 LYS H 1 87 GLY H . . 4.420 4.267 4.023 4.423 0.003 7 0 "[ . 1 . 2]" 1
1626 1 85 LYS H 1 88 LEU H . . 3.390 3.263 3.103 3.398 0.008 17 0 "[ . 1 . 2]" 1
1627 1 85 LYS H 1 88 LEU HB2 . . 4.920 3.550 3.202 3.991 . 0 0 "[ . 1 . 2]" 1
1628 1 85 LYS H 1 88 LEU QB . . 4.210 3.452 3.138 3.805 . 0 0 "[ . 1 . 2]" 1
1629 1 85 LYS H 1 88 LEU HB3 . . 4.920 4.749 4.509 4.881 . 0 0 "[ . 1 . 2]" 1
1630 1 85 LYS H 1 88 LEU QD . . 5.190 4.417 3.973 5.072 . 0 0 "[ . 1 . 2]" 1
1631 1 85 LYS H 1 89 GLY HA2 . . 3.800 3.555 3.345 3.713 . 0 0 "[ . 1 . 2]" 1
1632 1 85 LYS H 1 89 GLY HA3 . . 5.000 4.921 4.773 5.018 0.018 4 0 "[ . 1 . 2]" 1
1633 1 85 LYS H 1 90 TYR H . . 4.370 3.963 3.649 4.327 . 0 0 "[ . 1 . 2]" 1
1634 1 85 LYS H 1 90 TYR QD . . 4.280 2.783 2.410 3.008 . 0 0 "[ . 1 . 2]" 1
1635 1 85 LYS H 1 90 TYR QE . . 3.980 3.492 1.925 3.907 . 0 0 "[ . 1 . 2]" 1
1636 1 85 LYS QB 1 85 LYS QD . . 3.340 2.082 1.980 2.185 . 0 0 "[ . 1 . 2]" 1
1637 1 85 LYS QE 1 85 LYS QG . . 3.490 2.102 1.947 2.405 . 0 0 "[ . 1 . 2]" 1
1638 1 85 LYS QG 1 86 ASP H . . 3.980 2.292 1.966 2.986 . 0 0 "[ . 1 . 2]" 1
1639 1 85 LYS HG2 1 86 ASP H . . 4.550 2.407 1.978 3.350 . 0 0 "[ . 1 . 2]" 1
1640 1 85 LYS HG3 1 86 ASP H . . 4.550 3.403 2.448 3.752 . 0 0 "[ . 1 . 2]" 1
1641 1 86 ASP H 1 87 GLY H . . 3.580 2.828 2.646 2.934 . 0 0 "[ . 1 . 2]" 1
1642 1 86 ASP H 1 88 LEU H . . 4.630 4.393 4.289 4.500 . 0 0 "[ . 1 . 2]" 1
1643 1 86 ASP HA 1 87 GLY H . . 3.040 2.894 2.790 3.039 . 0 0 "[ . 1 . 2]" 1
1644 1 86 ASP HA 1 88 LEU H . . 4.690 4.589 4.456 4.698 0.008 19 0 "[ . 1 . 2]" 1
1645 1 86 ASP QB 1 88 LEU H . . 4.420 3.711 3.501 3.950 . 0 0 "[ . 1 . 2]" 1
1646 1 86 ASP HB2 1 87 GLY H . . 4.470 4.333 4.166 4.466 . 0 0 "[ . 1 . 2]" 1
1647 1 86 ASP HB3 1 87 GLY H . . 4.470 4.214 4.023 4.406 . 0 0 "[ . 1 . 2]" 1
1648 1 87 GLY H 1 88 LEU H . . 3.140 2.741 2.597 2.851 . 0 0 "[ . 1 . 2]" 1
1649 1 88 LEU H 1 88 LEU HB2 . . 3.710 2.271 2.220 2.343 . 0 0 "[ . 1 . 2]" 1
1650 1 88 LEU H 1 88 LEU QB . . 3.130 2.245 2.196 2.314 . 0 0 "[ . 1 . 2]" 1
1651 1 88 LEU H 1 88 LEU HB3 . . 3.710 3.523 3.427 3.599 . 0 0 "[ . 1 . 2]" 1
1652 1 88 LEU H 1 88 LEU MD1 . . 4.550 3.557 3.273 4.215 . 0 0 "[ . 1 . 2]" 1
1653 1 88 LEU H 1 88 LEU QD . . 3.980 3.384 3.180 3.626 . 0 0 "[ . 1 . 2]" 1
1654 1 88 LEU H 1 88 LEU MD2 . . 4.550 4.317 3.954 4.434 . 0 0 "[ . 1 . 2]" 1
1655 1 88 LEU H 1 88 LEU HG . . 3.610 3.373 3.051 3.598 . 0 0 "[ . 1 . 2]" 1
1656 1 88 LEU H 1 89 GLY H . . 4.250 2.441 2.219 2.692 . 0 0 "[ . 1 . 2]" 1
1657 1 88 LEU H 1 89 GLY HA3 . . 4.980 4.794 4.686 4.923 . 0 0 "[ . 1 . 2]" 1
1658 1 88 LEU H 1 90 TYR QE . . 4.430 4.141 3.467 4.430 . 0 0 "[ . 1 . 2]" 1
1659 1 88 LEU HA 1 88 LEU MD1 . . 4.220 3.779 3.727 3.858 . 0 0 "[ . 1 . 2]" 1
1660 1 88 LEU HA 1 88 LEU QD . . 3.590 2.525 1.927 2.751 . 0 0 "[ . 1 . 2]" 1
1661 1 88 LEU HA 1 88 LEU MD2 . . 4.220 2.570 1.933 2.833 . 0 0 "[ . 1 . 2]" 1
1662 1 88 LEU HA 1 88 LEU HG . . 4.130 2.515 2.380 2.943 . 0 0 "[ . 1 . 2]" 1
1663 1 88 LEU QB 1 88 LEU QD . . 2.790 1.782 1.729 1.935 . 0 0 "[ . 1 . 2]" 1
1664 1 88 LEU QB 1 89 GLY H . . 3.170 2.332 2.073 2.528 . 0 0 "[ . 1 . 2]" 1
1665 1 88 LEU QB 1 90 TYR QE . . 3.670 2.214 1.909 2.910 . 0 0 "[ . 1 . 2]" 1
1666 1 88 LEU HB2 1 89 GLY H . . 3.910 2.463 2.145 2.679 . 0 0 "[ . 1 . 2]" 1
1667 1 88 LEU HB3 1 89 GLY H . . 3.910 2.922 2.465 3.102 . 0 0 "[ . 1 . 2]" 1
1668 1 88 LEU QD 1 90 TYR QE . . 4.400 2.376 1.987 3.127 . 0 0 "[ . 1 . 2]" 1
1669 1 88 LEU MD1 1 89 GLY H . . 4.590 4.126 3.887 4.352 . 0 0 "[ . 1 . 2]" 1
1670 1 88 LEU MD2 1 89 GLY H . . 4.590 4.485 4.184 4.598 0.008 4 0 "[ . 1 . 2]" 1
1671 1 89 GLY H 1 89 GLY HA2 . . 2.630 2.380 2.329 2.484 . 0 0 "[ . 1 . 2]" 1
1672 1 89 GLY H 1 90 TYR H . . 4.040 3.562 3.377 3.922 . 0 0 "[ . 1 . 2]" 1
1673 1 89 GLY HA2 1 90 TYR H . . 2.950 2.155 2.138 2.183 . 0 0 "[ . 1 . 2]" 1
1674 1 89 GLY HA3 1 90 TYR HA . . 4.740 4.479 4.417 4.513 . 0 0 "[ . 1 . 2]" 1
1675 1 90 TYR H 1 90 TYR HB2 . . 3.500 2.679 2.576 2.833 . 0 0 "[ . 1 . 2]" 1
1676 1 90 TYR H 1 90 TYR HB3 . . 4.030 3.798 3.740 3.889 . 0 0 "[ . 1 . 2]" 1
1677 1 90 TYR H 1 90 TYR QD . . 3.620 2.932 2.028 3.347 . 0 0 "[ . 1 . 2]" 1
1678 1 90 TYR HA 1 91 ARG H . . 2.810 2.508 2.335 2.651 . 0 0 "[ . 1 . 2]" 1
1679 1 90 TYR HB3 1 91 ARG H . . 3.490 2.220 1.940 2.598 . 0 0 "[ . 1 . 2]" 1
1680 1 90 TYR QD 1 91 ARG H . . 4.230 3.627 3.425 4.238 0.008 18 0 "[ . 1 . 2]" 1
1681 1 91 ARG H 1 91 ARG HB2 . . 3.810 3.643 3.519 3.812 0.002 14 0 "[ . 1 . 2]" 1
1682 1 91 ARG H 1 91 ARG QB . . 3.140 2.872 2.714 2.947 . 0 0 "[ . 1 . 2]" 1
1683 1 91 ARG H 1 91 ARG HB3 . . 3.810 3.009 2.813 3.114 . 0 0 "[ . 1 . 2]" 1
1684 1 91 ARG H 1 92 GLN H . . 4.230 4.105 3.840 4.245 0.015 11 0 "[ . 1 . 2]" 1
1685 1 91 ARG HA 1 92 GLN H . . 2.880 2.180 2.145 2.207 . 0 0 "[ . 1 . 2]" 1
1686 1 91 ARG QG 1 92 GLN H . . 3.440 2.416 2.230 3.007 . 0 0 "[ . 1 . 2]" 1
1687 1 92 GLN H 1 92 GLN HB2 . . 3.640 2.335 2.068 2.598 . 0 0 "[ . 1 . 2]" 1
1688 1 92 GLN H 1 92 GLN HB3 . . 3.640 2.835 2.621 3.201 . 0 0 "[ . 1 . 2]" 1
1689 1 92 GLN H 1 92 GLN HG3 . . 4.650 4.411 3.744 4.511 . 0 0 "[ . 1 . 2]" 1
1690 1 92 GLN H 1 93 ASP H . . 4.750 4.597 4.500 4.639 . 0 0 "[ . 1 . 2]" 1
1691 1 92 GLN HA 1 92 GLN HG2 . . 4.020 3.596 2.880 3.730 . 0 0 "[ . 1 . 2]" 1
1692 1 92 GLN HA 1 92 GLN HG3 . . 3.650 2.464 2.128 2.878 . 0 0 "[ . 1 . 2]" 1
1693 1 92 GLN HA 1 93 ASP H . . 2.700 2.370 2.215 2.699 . 0 0 "[ . 1 . 2]" 1
1694 1 92 GLN QB 1 93 ASP H . . 3.830 3.147 2.276 3.560 . 0 0 "[ . 1 . 2]" 1
1695 1 92 GLN HB2 1 93 ASP H . . 4.360 4.012 3.640 4.155 . 0 0 "[ . 1 . 2]" 1
1696 1 92 GLN HB3 1 93 ASP H . . 4.360 3.311 2.300 3.871 . 0 0 "[ . 1 . 2]" 1
1697 1 92 GLN HG2 1 93 ASP H . . 3.650 3.438 2.168 3.654 0.004 9 0 "[ . 1 . 2]" 1
1698 1 92 GLN HG2 1 95 GLY H . . 5.430 5.290 5.007 5.452 0.022 11 0 "[ . 1 . 2]" 1
1699 1 92 GLN HG3 1 93 ASP H . . 3.250 2.057 1.899 3.246 . 0 0 "[ . 1 . 2]" 1
1700 1 93 ASP H 1 93 ASP QB . . 2.920 2.790 2.650 3.037 0.117 11 0 "[ . 1 . 2]" 1
1701 1 93 ASP H 1 94 ASN H . . 4.460 4.313 4.251 4.399 . 0 0 "[ . 1 . 2]" 1
1702 1 93 ASP HA 1 94 ASN H . . 2.910 2.730 2.227 2.840 . 0 0 "[ . 1 . 2]" 1
1703 1 93 ASP HA 1 94 ASN HA . . 5.040 4.810 4.500 4.884 . 0 0 "[ . 1 . 2]" 1
1704 1 93 ASP HA 1 95 GLY H . . 4.010 3.274 3.110 3.676 . 0 0 "[ . 1 . 2]" 1
1705 1 93 ASP QB 1 94 ASN H . . 3.130 2.276 1.878 2.865 . 0 0 "[ . 1 . 2]" 1
1706 1 93 ASP HB2 1 94 ASN H . . 3.970 2.843 2.257 3.719 . 0 0 "[ . 1 . 2]" 1
1707 1 93 ASP HB3 1 94 ASN H . . 3.970 3.038 1.888 4.053 0.083 11 0 "[ . 1 . 2]" 1
1708 1 94 ASN H 1 94 ASN HA . . 2.880 2.324 2.299 2.727 . 0 0 "[ . 1 . 2]" 1
1709 1 94 ASN H 1 94 ASN HB2 . . 4.080 3.279 3.223 3.848 . 0 0 "[ . 1 . 2]" 1
1710 1 94 ASN H 1 94 ASN QB . . 3.540 3.120 3.056 3.513 . 0 0 "[ . 1 . 2]" 1
1711 1 94 ASN H 1 94 ASN HB3 . . 4.080 3.923 3.795 4.057 . 0 0 "[ . 1 . 2]" 1
1712 1 94 ASN H 1 94 ASN QD . . 4.260 3.962 3.155 4.233 . 0 0 "[ . 1 . 2]" 1
1713 1 94 ASN H 1 95 GLY H . . 3.280 3.055 2.101 3.231 . 0 0 "[ . 1 . 2]" 1
1714 1 94 ASN HB2 1 95 GLY H . . 4.150 3.521 2.945 3.780 . 0 0 "[ . 1 . 2]" 1
1715 1 94 ASN HB3 1 95 GLY H . . 4.150 2.890 2.655 4.136 . 0 0 "[ . 1 . 2]" 1
1716 1 95 GLY H 1 95 GLY HA3 . . 2.890 2.710 2.663 2.745 . 0 0 "[ . 1 . 2]" 1
1717 1 95 GLY H 1 96 GLU H . . 3.860 3.384 3.015 3.602 . 0 0 "[ . 1 . 2]" 1
1718 1 95 GLY H 1 96 GLU QB . . 4.980 4.637 4.580 4.779 . 0 0 "[ . 1 . 2]" 1
1719 1 95 GLY HA2 1 96 GLU H . . 2.850 2.392 2.293 2.772 . 0 0 "[ . 1 . 2]" 1
1720 1 95 GLY HA3 1 96 GLU QB . . 4.440 4.358 4.198 4.401 . 0 0 "[ . 1 . 2]" 1
1721 1 96 GLU H 1 96 GLU QB . . 3.310 2.899 2.871 2.925 . 0 0 "[ . 1 . 2]" 1
1722 1 96 GLU H 1 96 GLU QG . . 4.240 4.194 4.123 4.232 . 0 0 "[ . 1 . 2]" 1
1723 1 96 GLU H 1 97 TRP H . . 4.100 3.772 3.673 3.888 . 0 0 "[ . 1 . 2]" 1
1724 1 96 GLU H 1 97 TRP HA . . 4.880 4.806 4.742 4.873 . 0 0 "[ . 1 . 2]" 1
1725 1 96 GLU H 1 97 TRP HE1 . . 5.300 5.204 4.969 5.280 . 0 0 "[ . 1 . 2]" 1
1726 1 96 GLU H 1 97 TRP HZ2 . . 4.730 4.495 4.319 4.728 . 0 0 "[ . 1 . 2]" 1
1727 1 96 GLU HA 1 97 TRP H . . 2.690 2.147 2.138 2.168 . 0 0 "[ . 1 . 2]" 1
1728 1 96 GLU HA 1 97 TRP HB2 . . 5.500 4.570 4.506 4.627 . 0 0 "[ . 1 . 2]" 1
1729 1 96 GLU QB 1 97 TRP H . . 4.050 3.896 3.845 3.943 . 0 0 "[ . 1 . 2]" 1
1730 1 96 GLU QB 1 97 TRP HA . . 4.730 4.585 4.502 4.672 . 0 0 "[ . 1 . 2]" 1
1731 1 96 GLU QG 1 97 TRP H . . 3.620 3.119 2.976 3.297 . 0 0 "[ . 1 . 2]" 1
1732 1 96 GLU QG 1 98 THR H . . 4.320 4.164 3.981 4.305 . 0 0 "[ . 1 . 2]" 1
1733 1 97 TRP H 1 97 TRP HB2 . . 3.430 2.857 2.790 2.919 . 0 0 "[ . 1 . 2]" 1
1734 1 97 TRP H 1 97 TRP HB3 . . 4.130 3.891 3.854 3.921 . 0 0 "[ . 1 . 2]" 1
1735 1 97 TRP H 1 97 TRP HD1 . . 5.500 5.302 5.155 5.365 . 0 0 "[ . 1 . 2]" 1
1736 1 97 TRP H 1 98 THR H . . 4.110 3.969 3.819 4.082 . 0 0 "[ . 1 . 2]" 1
1737 1 97 TRP HA 1 97 TRP HD1 . . 4.270 2.949 2.751 3.028 . 0 0 "[ . 1 . 2]" 1
1738 1 97 TRP HA 1 98 THR H . . 2.600 2.145 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
1739 1 97 TRP HB2 1 98 THR H . . 4.610 4.401 4.325 4.470 . 0 0 "[ . 1 . 2]" 1
1740 1 97 TRP HB3 1 98 THR H . . 3.980 3.583 3.413 3.751 . 0 0 "[ . 1 . 2]" 1
1741 1 97 TRP HD1 1 98 THR H . . 4.710 4.436 4.215 4.660 . 0 0 "[ . 1 . 2]" 1
1742 1 98 THR H 1 98 THR HB . . 2.880 2.548 2.468 2.648 . 0 0 "[ . 1 . 2]" 1
1743 1 98 THR H 1 98 THR MG . . 3.890 3.793 3.772 3.816 . 0 0 "[ . 1 . 2]" 1
1744 1 98 THR H 1 99 VAL H . . 4.700 4.549 4.507 4.581 . 0 0 "[ . 1 . 2]" 1
1745 1 98 THR HA 1 98 THR MG . . 3.210 2.372 2.234 2.476 . 0 0 "[ . 1 . 2]" 1
1746 1 98 THR HA 1 99 VAL H . . 2.870 2.185 2.162 2.239 . 0 0 "[ . 1 . 2]" 1
1747 1 98 THR HA 1 99 VAL MG2 . . 4.560 3.484 3.399 3.658 . 0 0 "[ . 1 . 2]" 1
1748 1 98 THR HB 1 99 VAL H . . 4.460 4.038 3.854 4.131 . 0 0 "[ . 1 . 2]" 1
1749 1 98 THR HB 1 100 GLU QG . . 4.860 3.111 2.837 3.658 . 0 0 "[ . 1 . 2]" 1
1750 1 98 THR MG 1 99 VAL H . . 3.380 2.287 2.102 2.480 . 0 0 "[ . 1 . 2]" 1
1751 1 98 THR MG 1 99 VAL HA . . 4.400 4.051 3.837 4.266 . 0 0 "[ . 1 . 2]" 1
1752 1 98 THR MG 1 100 GLU H . . 5.500 4.581 4.218 5.043 . 0 0 "[ . 1 . 2]" 1
1753 1 98 THR MG 1 100 GLU HG2 . . 4.040 3.077 2.564 3.936 . 0 0 "[ . 1 . 2]" 1
1754 1 98 THR MG 1 100 GLU QG . . 3.490 2.726 2.339 3.122 . 0 0 "[ . 1 . 2]" 1
1755 1 98 THR MG 1 100 GLU HG3 . . 4.040 3.211 2.421 3.948 . 0 0 "[ . 1 . 2]" 1
1756 1 99 VAL H 1 99 VAL HB . . 3.400 2.619 2.520 2.734 . 0 0 "[ . 1 . 2]" 1
1757 1 99 VAL H 1 99 VAL MG1 . . 3.840 3.767 3.745 3.784 . 0 0 "[ . 1 . 2]" 1
1758 1 99 VAL H 1 99 VAL MG2 . . 3.990 2.048 1.872 2.284 . 0 0 "[ . 1 . 2]" 1
1759 1 99 VAL H 1 100 GLU H . . 4.700 4.452 4.372 4.641 . 0 0 "[ . 1 . 2]" 1
1760 1 99 VAL HA 1 99 VAL MG1 . . 3.570 2.355 2.206 2.447 . 0 0 "[ . 1 . 2]" 1
1761 1 99 VAL HA 1 99 VAL MG2 . . 3.530 2.456 2.374 2.513 . 0 0 "[ . 1 . 2]" 1
1762 1 99 VAL HA 1 100 GLU H . . 2.840 2.156 2.141 2.327 . 0 0 "[ . 1 . 2]" 1
1763 1 99 VAL HA 1 101 GLY H . . 4.010 3.429 3.285 3.811 . 0 0 "[ . 1 . 2]" 1
1764 1 99 VAL HB 1 100 GLU H . . 4.600 4.227 3.563 4.335 . 0 0 "[ . 1 . 2]" 1
1765 1 99 VAL MG1 1 100 GLU H . . 4.100 2.782 1.979 3.059 . 0 0 "[ . 1 . 2]" 1
1766 1 99 VAL MG1 1 101 GLY H . . 4.080 2.506 2.256 3.007 . 0 0 "[ . 1 . 2]" 1
1767 1 99 VAL MG2 1 100 GLU H . . 4.350 4.177 3.969 4.259 . 0 0 "[ . 1 . 2]" 1
1768 1 100 GLU H 1 100 GLU QB . . 3.320 2.673 2.535 2.873 . 0 0 "[ . 1 . 2]" 1
1769 1 100 GLU H 1 100 GLU HG2 . . 4.310 3.755 3.103 4.243 . 0 0 "[ . 1 . 2]" 1
1770 1 100 GLU H 1 100 GLU QG . . 3.780 3.199 2.854 3.776 . 0 0 "[ . 1 . 2]" 1
1771 1 100 GLU H 1 100 GLU HG3 . . 4.310 3.554 2.958 4.239 . 0 0 "[ . 1 . 2]" 1
1772 1 100 GLU H 1 101 GLY H . . 2.570 1.959 1.758 2.273 . 0 0 "[ . 1 . 2]" 1
1773 1 100 GLU H 1 101 GLY QA . . 4.500 3.760 3.690 3.829 . 0 0 "[ . 1 . 2]" 1
1774 1 100 GLU HA 1 100 GLU HG2 . . 3.790 2.399 2.091 2.732 . 0 0 "[ . 1 . 2]" 1
1775 1 100 GLU HA 1 100 GLU HG3 . . 3.790 3.416 2.971 3.754 . 0 0 "[ . 1 . 2]" 1
1776 1 100 GLU HA 1 101 GLY H . . 3.500 3.159 2.878 3.504 0.004 14 0 "[ . 1 . 2]" 1
1777 1 100 GLU QB 1 101 GLY H . . 3.840 3.522 2.766 3.808 . 0 0 "[ . 1 . 2]" 1
1778 1 100 GLU HB2 1 101 GLY H . . 4.640 3.748 2.859 4.225 . 0 0 "[ . 1 . 2]" 1
1779 1 100 GLU HB3 1 101 GLY H . . 4.640 4.301 3.681 4.486 . 0 0 "[ . 1 . 2]" 1
1780 1 100 GLU QG 1 101 GLY H . . 5.120 4.424 4.242 4.625 . 0 0 "[ . 1 . 2]" 1
1781 1 101 GLY H 1 102 PHE H . . 4.470 4.353 3.913 4.455 . 0 0 "[ . 1 . 2]" 1
1782 1 101 GLY H 1 102 PHE HA . . 4.990 4.881 4.469 5.069 0.079 14 0 "[ . 1 . 2]" 1
1783 1 101 GLY QA 1 102 PHE H . . 2.800 2.248 2.110 2.283 . 0 0 "[ . 1 . 2]" 1
1784 1 101 GLY QA 1 102 PHE HA . . 4.580 3.961 3.942 4.038 . 0 0 "[ . 1 . 2]" 1
1785 1 101 GLY HA2 1 102 PHE H . . 3.540 2.502 2.138 2.673 . 0 0 "[ . 1 . 2]" 1
1786 1 101 GLY HA3 1 102 PHE H . . 3.540 2.683 2.456 3.342 . 0 0 "[ . 1 . 2]" 1
1787 1 102 PHE H 1 102 PHE HB2 . . 3.120 2.776 2.129 2.991 . 0 0 "[ . 1 . 2]" 1
1788 1 102 PHE H 1 102 PHE HB3 . . 3.660 3.385 2.996 3.663 0.003 15 0 "[ . 1 . 2]" 1
1789 1 102 PHE H 1 102 PHE QD . . 4.170 4.123 3.568 4.312 0.142 8 0 "[ . 1 . 2]" 1
1790 1 102 PHE H 1 103 VAL H . . 4.810 4.401 4.338 4.573 . 0 0 "[ . 1 . 2]" 1
1791 1 102 PHE H 1 103 VAL MG1 . . 5.170 4.246 3.959 5.162 . 0 0 "[ . 1 . 2]" 1
1792 1 102 PHE H 1 103 VAL MG2 . . 4.240 3.733 3.482 4.298 0.058 18 0 "[ . 1 . 2]" 1
1793 1 102 PHE HA 1 102 PHE QD . . 4.300 2.339 2.001 2.837 . 0 0 "[ . 1 . 2]" 1
1794 1 102 PHE HA 1 103 VAL H . . 2.830 2.360 2.289 2.499 . 0 0 "[ . 1 . 2]" 1
1795 1 102 PHE HA 1 103 VAL MG1 . . 4.880 4.550 4.482 4.699 . 0 0 "[ . 1 . 2]" 1
1796 1 102 PHE HA 1 103 VAL MG2 . . 4.660 2.931 2.885 2.980 . 0 0 "[ . 1 . 2]" 1
1797 1 102 PHE HB2 1 103 VAL H . . 4.390 4.081 3.874 4.172 . 0 0 "[ . 1 . 2]" 1
1798 1 102 PHE HB3 1 103 VAL H . . 3.200 2.992 2.487 3.208 0.008 10 0 "[ . 1 . 2]" 1
1799 1 102 PHE HB3 1 103 VAL MG1 . . 5.120 4.770 4.678 4.938 . 0 0 "[ . 1 . 2]" 1
1800 1 102 PHE QD 1 103 VAL H . . 4.230 3.016 1.909 3.451 . 0 0 "[ . 1 . 2]" 1
1801 1 103 VAL H 1 103 VAL HB . . 3.970 3.756 3.675 3.795 . 0 0 "[ . 1 . 2]" 1
1802 1 103 VAL H 1 103 VAL MG1 . . 3.890 3.815 3.775 3.908 0.018 6 0 "[ . 1 . 2]" 1
1803 1 103 VAL H 1 103 VAL MG2 . . 4.220 2.485 2.421 2.507 . 0 0 "[ . 1 . 2]" 1
1804 1 103 VAL H 1 104 ASP H . . 4.630 4.359 4.310 4.375 . 0 0 "[ . 1 . 2]" 1
1805 1 103 VAL HA 1 103 VAL MG1 . . 3.380 1.958 1.924 1.986 . 0 0 "[ . 1 . 2]" 1
1806 1 103 VAL HA 1 103 VAL MG2 . . 3.410 3.065 3.005 3.087 . 0 0 "[ . 1 . 2]" 1
1807 1 103 VAL HA 1 104 ASP H . . 2.660 2.510 2.317 2.654 . 0 0 "[ . 1 . 2]" 1
1808 1 103 VAL HB 1 104 ASP H . . 3.080 2.311 1.993 2.835 . 0 0 "[ . 1 . 2]" 1
1809 1 103 VAL HB 1 105 GLU H . . 5.330 5.083 4.910 5.278 . 0 0 "[ . 1 . 2]" 1
1810 1 103 VAL MG1 1 104 ASP H . . 3.990 2.850 2.561 2.940 . 0 0 "[ . 1 . 2]" 1
1811 1 103 VAL MG2 1 104 ASP H . . 4.500 3.822 3.614 4.125 . 0 0 "[ . 1 . 2]" 1
1812 1 104 ASP H 1 104 ASP QB . . 2.850 2.784 2.614 2.872 0.022 18 0 "[ . 1 . 2]" 1
1813 1 104 ASP H 1 105 GLU H . . 4.470 4.298 4.180 4.409 . 0 0 "[ . 1 . 2]" 1
1814 1 104 ASP HA 1 105 GLU H . . 2.530 2.171 2.150 2.219 . 0 0 "[ . 1 . 2]" 1
1815 1 104 ASP HA 1 105 GLU QB . . 4.410 4.023 3.983 4.050 . 0 0 "[ . 1 . 2]" 1
1816 1 104 ASP HA 1 106 ALA H . . 4.500 4.171 3.957 4.399 . 0 0 "[ . 1 . 2]" 1
1817 1 104 ASP QB 1 105 GLU H . . 3.190 3.109 2.889 3.203 0.013 19 0 "[ . 1 . 2]" 1
1818 1 104 ASP QB 1 106 ALA H . . 3.920 3.086 2.773 3.559 . 0 0 "[ . 1 . 2]" 1
1819 1 104 ASP HB2 1 106 ALA H . . 4.520 3.407 3.008 3.763 . 0 0 "[ . 1 . 2]" 1
1820 1 104 ASP HB3 1 106 ALA H . . 4.520 3.715 2.909 4.521 0.001 9 0 "[ . 1 . 2]" 1
1821 1 105 GLU H 1 105 GLU HB2 . . 3.200 2.439 2.271 2.827 . 0 0 "[ . 1 . 2]" 1
1822 1 105 GLU H 1 105 GLU HB3 . . 3.200 2.766 2.563 2.932 . 0 0 "[ . 1 . 2]" 1
1823 1 105 GLU H 1 105 GLU QG . . 4.160 4.002 3.866 4.117 . 0 0 "[ . 1 . 2]" 1
1824 1 105 GLU H 1 106 ALA H . . 3.560 3.300 2.981 3.563 0.003 17 0 "[ . 1 . 2]" 1
1825 1 105 GLU HA 1 105 GLU QG . . 3.600 2.441 2.115 2.947 . 0 0 "[ . 1 . 2]" 1
1826 1 105 GLU HA 1 106 ALA H . . 2.830 2.706 2.569 2.819 . 0 0 "[ . 1 . 2]" 1
1827 1 105 GLU QB 1 106 ALA H . . 4.070 3.927 3.857 3.981 . 0 0 "[ . 1 . 2]" 1
1828 1 105 GLU HB2 1 106 ALA H . . 4.630 4.596 4.518 4.639 0.009 3 0 "[ . 1 . 2]" 1
1829 1 105 GLU HB3 1 106 ALA H . . 4.630 4.264 4.185 4.334 . 0 0 "[ . 1 . 2]" 1
1830 1 105 GLU QG 1 106 ALA H . . 4.640 4.372 4.184 4.628 . 0 0 "[ . 1 . 2]" 1
1831 1 105 GLU QG 1 106 ALA HA . . 4.770 4.558 4.286 4.765 . 0 0 "[ . 1 . 2]" 1
1832 1 106 ALA H 1 106 ALA MB . . 3.230 2.587 2.149 2.905 . 0 0 "[ . 1 . 2]" 1
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