Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563126 | 2lu4 RC | 18508 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lu4
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 1865
_Distance_constraint_stats_list.Viol_count 1570
_Distance_constraint_stats_list.Viol_total 405.564
_Distance_constraint_stats_list.Viol_max 0.324
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.061 0.046 9 0 "[ . 1 . 2]"
1 11 VAL 0.166 0.046 9 0 "[ . 1 . 2]"
1 12 LYS 0.127 0.033 11 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.146 0.038 3 0 "[ . 1 . 2]"
1 16 GLN 0.979 0.324 20 0 "[ . 1 . 2]"
1 17 ALA 0.937 0.139 10 0 "[ . 1 . 2]"
1 18 ARG 0.615 0.148 1 0 "[ . 1 . 2]"
1 19 PRO 0.458 0.148 1 0 "[ . 1 . 2]"
1 20 THR 0.254 0.046 2 0 "[ . 1 . 2]"
1 21 VAL 0.144 0.046 2 0 "[ . 1 . 2]"
1 22 ILE 0.215 0.032 12 0 "[ . 1 . 2]"
1 23 ARG 0.546 0.158 12 0 "[ . 1 . 2]"
1 24 TRP 0.837 0.085 19 0 "[ . 1 . 2]"
1 25 SER 1.734 0.124 7 0 "[ . 1 . 2]"
1 26 GLU 0.071 0.015 19 0 "[ . 1 . 2]"
1 27 GLY 0.014 0.005 19 0 "[ . 1 . 2]"
1 28 GLY 0.121 0.027 11 0 "[ . 1 . 2]"
1 29 LYS 0.343 0.170 19 0 "[ . 1 . 2]"
1 30 GLU 0.311 0.170 19 0 "[ . 1 . 2]"
1 31 VAL 0.164 0.016 19 0 "[ . 1 . 2]"
1 32 PHE 0.059 0.011 9 0 "[ . 1 . 2]"
1 33 ILE 0.211 0.023 2 0 "[ . 1 . 2]"
1 34 SER 0.215 0.066 11 0 "[ . 1 . 2]"
1 35 GLY 0.094 0.052 2 0 "[ . 1 . 2]"
1 36 SER 0.011 0.004 17 0 "[ . 1 . 2]"
1 37 PHE 0.552 0.031 1 0 "[ . 1 . 2]"
1 38 ASN 0.060 0.007 19 0 "[ . 1 . 2]"
1 39 ASN 0.260 0.096 11 0 "[ . 1 . 2]"
1 40 TRP 0.420 0.021 11 0 "[ . 1 . 2]"
1 41 SER 0.021 0.012 8 0 "[ . 1 . 2]"
1 42 THR 0.057 0.010 1 0 "[ . 1 . 2]"
1 43 LYS 0.093 0.035 17 0 "[ . 1 . 2]"
1 44 ILE 1.494 0.086 17 0 "[ . 1 . 2]"
1 45 PRO 1.401 0.086 17 0 "[ . 1 . 2]"
1 46 LEU 0.101 0.012 2 0 "[ . 1 . 2]"
1 47 ILE 0.086 0.017 19 0 "[ . 1 . 2]"
1 48 LYS 0.205 0.038 16 0 "[ . 1 . 2]"
1 49 SER 0.074 0.013 12 0 "[ . 1 . 2]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.109 0.106 5 0 "[ . 1 . 2]"
1 52 ASP 0.021 0.005 16 0 "[ . 1 . 2]"
1 53 PHE 0.228 0.042 12 0 "[ . 1 . 2]"
1 54 VAL 0.203 0.158 12 0 "[ . 1 . 2]"
1 55 ALA 0.049 0.010 18 0 "[ . 1 . 2]"
1 56 ILE 0.034 0.008 11 0 "[ . 1 . 2]"
1 57 LEU 0.109 0.014 2 0 "[ . 1 . 2]"
1 58 ASP 0.069 0.016 1 0 "[ . 1 . 2]"
1 59 LEU 0.237 0.029 2 0 "[ . 1 . 2]"
1 60 PRO 0.142 0.030 2 0 "[ . 1 . 2]"
1 61 GLU 0.206 0.071 18 0 "[ . 1 . 2]"
1 62 GLY 0.007 0.007 1 0 "[ . 1 . 2]"
1 63 GLU 1.613 0.072 17 0 "[ . 1 . 2]"
1 64 HIS 0.727 0.031 1 0 "[ . 1 . 2]"
1 65 GLN 0.323 0.032 4 0 "[ . 1 . 2]"
1 66 TYR 1.182 0.049 13 0 "[ . 1 . 2]"
1 67 LYS 0.284 0.052 2 0 "[ . 1 . 2]"
1 68 PHE 0.605 0.056 11 0 "[ . 1 . 2]"
1 69 PHE 0.238 0.046 11 0 "[ . 1 . 2]"
1 70 VAL 0.206 0.022 13 0 "[ . 1 . 2]"
1 71 ASP 0.069 0.012 15 0 "[ . 1 . 2]"
1 72 GLY 0.017 0.010 11 0 "[ . 1 . 2]"
1 73 GLN 0.171 0.021 11 0 "[ . 1 . 2]"
1 74 TRP 0.289 0.066 11 0 "[ . 1 . 2]"
1 75 VAL 0.524 0.056 11 0 "[ . 1 . 2]"
1 76 HIS 0.756 0.025 13 0 "[ . 1 . 2]"
1 77 ASP 0.142 0.016 6 0 "[ . 1 . 2]"
1 78 PRO 0.048 0.007 7 0 "[ . 1 . 2]"
1 79 SER 0.372 0.095 6 0 "[ . 1 . 2]"
1 80 GLU 0.344 0.047 6 0 "[ . 1 . 2]"
1 81 PRO 0.263 0.018 11 0 "[ . 1 . 2]"
1 82 VAL 0.806 0.024 11 0 "[ . 1 . 2]"
1 83 VAL 1.192 0.051 15 0 "[ . 1 . 2]"
1 84 THR 0.437 0.017 10 0 "[ . 1 . 2]"
1 85 SER 0.348 0.055 15 0 "[ . 1 . 2]"
1 86 GLN 0.186 0.102 8 0 "[ . 1 . 2]"
1 87 LEU 0.821 0.102 8 0 "[ . 1 . 2]"
1 88 GLY 0.144 0.032 8 0 "[ . 1 . 2]"
1 89 THR 0.625 0.050 3 0 "[ . 1 . 2]"
1 90 ILE 0.468 0.024 4 0 "[ . 1 . 2]"
1 91 ASN 1.026 0.051 15 0 "[ . 1 . 2]"
1 92 ASN 1.001 0.042 17 0 "[ . 1 . 2]"
1 93 LEU 2.868 0.072 17 0 "[ . 1 . 2]"
1 94 ILE 0.363 0.026 17 0 "[ . 1 . 2]"
1 95 HIS 0.972 0.030 10 0 "[ . 1 . 2]"
1 96 VAL 0.244 0.043 18 0 "[ . 1 . 2]"
1 97 LYS 0.050 0.016 19 0 "[ . 1 . 2]"
1 98 LYS 0.808 0.197 18 0 "[ . 1 . 2]"
1 99 SER 0.181 0.090 18 0 "[ . 1 . 2]"
1 100 ASP 0.198 0.115 18 0 "[ . 1 . 2]"
1 101 PHE 0.449 0.197 18 0 "[ . 1 . 2]"
1 102 GLU 0.592 0.128 14 0 "[ . 1 . 2]"
1 103 VAL 0.151 0.128 14 0 "[ . 1 . 2]"
1 104 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASP 0.015 0.015 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 ILE H 1 5 ILE HG12 . . 4.830 3.377 2.265 4.691 . 0 0 "[ . 1 . 2]" 1
2 1 5 ILE H 1 5 ILE QG . . 4.050 2.826 2.125 4.049 . 0 0 "[ . 1 . 2]" 1
3 1 5 ILE H 1 5 ILE HG13 . . 4.830 3.327 2.185 4.507 . 0 0 "[ . 1 . 2]" 1
4 1 5 ILE HB 1 6 ARG H . . 5.480 3.367 2.115 4.439 . 0 0 "[ . 1 . 2]" 1
5 1 6 ARG HA 1 6 ARG QD . . 4.540 3.168 1.993 4.263 . 0 0 "[ . 1 . 2]" 1
6 1 9 ASP QB 1 10 SER H . . 4.920 2.965 1.975 4.011 . 0 0 "[ . 1 . 2]" 1
7 1 10 SER H 1 11 VAL H . . 4.280 3.985 2.446 4.326 0.046 9 0 "[ . 1 . 2]" 1
8 1 10 SER HA 1 11 VAL H . . 3.190 2.357 2.148 2.972 . 0 0 "[ . 1 . 2]" 1
9 1 10 SER QB 1 11 VAL H . . 4.130 3.140 2.025 3.913 . 0 0 "[ . 1 . 2]" 1
10 1 11 VAL H 1 11 VAL HB . . 3.750 3.052 2.507 3.753 0.003 4 0 "[ . 1 . 2]" 1
11 1 11 VAL H 1 11 VAL QG . . 3.440 2.186 1.852 2.648 . 0 0 "[ . 1 . 2]" 1
12 1 11 VAL H 1 12 LYS H . . 4.620 4.279 2.963 4.631 0.011 10 0 "[ . 1 . 2]" 1
13 1 11 VAL HA 1 12 LYS H . . 2.750 2.295 2.140 2.587 . 0 0 "[ . 1 . 2]" 1
14 1 11 VAL HB 1 12 LYS H . . 4.330 3.746 2.020 4.363 0.033 11 0 "[ . 1 . 2]" 1
15 1 11 VAL QG 1 12 LYS H . . 4.270 2.834 1.981 3.662 . 0 0 "[ . 1 . 2]" 1
16 1 12 LYS H 1 12 LYS QB . . 3.540 2.666 2.178 3.401 . 0 0 "[ . 1 . 2]" 1
17 1 12 LYS H 1 12 LYS QD . . 3.830 2.974 2.060 3.840 0.010 16 0 "[ . 1 . 2]" 1
18 1 12 LYS H 1 12 LYS QG . . 3.880 3.021 2.061 3.882 0.002 13 0 "[ . 1 . 2]" 1
19 1 12 LYS H 1 13 PRO HD2 . . 5.280 4.540 3.418 4.815 . 0 0 "[ . 1 . 2]" 1
20 1 12 LYS H 1 13 PRO QD . . 4.540 3.989 2.406 4.370 . 0 0 "[ . 1 . 2]" 1
21 1 12 LYS H 1 13 PRO HD3 . . 5.280 4.514 2.458 5.097 . 0 0 "[ . 1 . 2]" 1
22 1 12 LYS QD 1 13 PRO QD . . 4.620 3.725 1.893 4.459 . 0 0 "[ . 1 . 2]" 1
23 1 13 PRO HA 1 14 THR H . . 2.780 2.578 2.254 2.651 . 0 0 "[ . 1 . 2]" 1
24 1 13 PRO QB 1 14 THR HB . . 5.340 4.845 4.108 5.340 . 0 0 "[ . 1 . 2]" 1
25 1 13 PRO HB2 1 14 THR H . . 3.960 2.210 2.043 3.028 . 0 0 "[ . 1 . 2]" 1
26 1 13 PRO HB3 1 14 THR H . . 3.960 3.272 3.197 3.681 . 0 0 "[ . 1 . 2]" 1
27 1 14 THR H 1 14 THR HB . . 3.760 3.440 3.008 3.619 . 0 0 "[ . 1 . 2]" 1
28 1 14 THR H 1 14 THR MG . . 3.630 2.920 2.173 3.620 . 0 0 "[ . 1 . 2]" 1
29 1 14 THR H 1 15 GLN H . . 4.760 4.579 4.158 4.645 . 0 0 "[ . 1 . 2]" 1
30 1 14 THR HA 1 14 THR MG . . 3.320 2.170 2.017 2.347 . 0 0 "[ . 1 . 2]" 1
31 1 14 THR HA 1 15 GLN H . . 2.860 2.331 2.144 2.589 . 0 0 "[ . 1 . 2]" 1
32 1 14 THR HA 1 15 GLN QB . . 4.720 4.256 4.064 4.568 . 0 0 "[ . 1 . 2]" 1
33 1 14 THR HB 1 15 GLN H . . 3.790 2.875 1.988 3.696 . 0 0 "[ . 1 . 2]" 1
34 1 14 THR HB 1 15 GLN HA . . 4.320 4.165 4.002 4.281 . 0 0 "[ . 1 . 2]" 1
35 1 14 THR HB 1 15 GLN QG . . 5.500 4.887 4.491 5.277 . 0 0 "[ . 1 . 2]" 1
36 1 14 THR MG 1 15 GLN H . . 4.170 3.122 1.897 3.781 . 0 0 "[ . 1 . 2]" 1
37 1 15 GLN H 1 15 GLN HB2 . . 4.050 2.907 2.402 3.779 . 0 0 "[ . 1 . 2]" 1
38 1 15 GLN H 1 15 GLN QB . . 3.200 2.769 2.370 3.206 0.006 8 0 "[ . 1 . 2]" 1
39 1 15 GLN H 1 15 GLN HB3 . . 4.050 3.764 3.413 3.940 . 0 0 "[ . 1 . 2]" 1
40 1 15 GLN H 1 15 GLN QG . . 4.420 3.179 2.189 3.959 . 0 0 "[ . 1 . 2]" 1
41 1 15 GLN H 1 16 GLN H . . 4.450 4.390 4.329 4.485 0.035 11 0 "[ . 1 . 2]" 1
42 1 15 GLN HA 1 15 GLN QG . . 3.390 2.620 2.166 3.428 0.038 3 0 "[ . 1 . 2]" 1
43 1 15 GLN HA 1 16 GLN H . . 2.780 2.562 2.265 2.719 . 0 0 "[ . 1 . 2]" 1
44 1 15 GLN QB 1 17 ALA HA . . 5.240 5.053 4.821 5.267 0.027 8 0 "[ . 1 . 2]" 1
45 1 15 GLN QG 1 16 GLN H . . 4.420 3.818 3.278 4.135 . 0 0 "[ . 1 . 2]" 1
46 1 16 GLN H 1 16 GLN HB2 . . 3.250 2.718 2.328 3.574 0.324 20 0 "[ . 1 . 2]" 1
47 1 16 GLN H 1 16 GLN HB3 . . 3.940 3.416 2.667 3.797 . 0 0 "[ . 1 . 2]" 1
48 1 16 GLN H 1 16 GLN QG . . 4.720 2.460 1.915 4.053 . 0 0 "[ . 1 . 2]" 1
49 1 16 GLN H 1 17 ALA H . . 3.410 2.460 1.892 2.910 . 0 0 "[ . 1 . 2]" 1
50 1 16 GLN H 1 17 ALA MB . . 4.650 4.057 3.512 4.530 . 0 0 "[ . 1 . 2]" 1
51 1 16 GLN HA 1 16 GLN QG . . 3.370 2.761 2.259 3.318 . 0 0 "[ . 1 . 2]" 1
52 1 16 GLN HB2 1 17 ALA H . . 3.610 2.924 1.958 3.629 0.019 8 0 "[ . 1 . 2]" 1
53 1 16 GLN HB3 1 17 ALA H . . 4.210 3.609 2.278 4.182 . 0 0 "[ . 1 . 2]" 1
54 1 16 GLN QG 1 17 ALA H . . 3.630 3.573 1.969 3.704 0.074 15 0 "[ . 1 . 2]" 1
55 1 17 ALA H 1 17 ALA MB . . 2.620 2.163 2.025 2.759 0.139 10 0 "[ . 1 . 2]" 1
56 1 17 ALA H 1 18 ARG H . . 4.700 4.394 3.431 4.615 . 0 0 "[ . 1 . 2]" 1
57 1 17 ALA H 1 60 PRO HA . . 5.050 4.840 3.755 5.062 0.012 2 0 "[ . 1 . 2]" 1
58 1 17 ALA HA 1 18 ARG H . . 2.820 2.196 2.141 2.506 . 0 0 "[ . 1 . 2]" 1
59 1 17 ALA HA 1 18 ARG QB . . 5.010 4.069 3.977 4.384 . 0 0 "[ . 1 . 2]" 1
60 1 17 ALA HA 1 60 PRO HA . . 3.590 2.782 1.997 3.037 . 0 0 "[ . 1 . 2]" 1
61 1 17 ALA HA 1 60 PRO HB2 . . 5.170 5.114 4.339 5.200 0.030 2 0 "[ . 1 . 2]" 1
62 1 17 ALA HA 1 60 PRO QB . . 4.440 4.322 3.790 4.447 0.007 1 0 "[ . 1 . 2]" 1
63 1 17 ALA HA 1 60 PRO HB3 . . 5.170 4.667 4.181 4.952 . 0 0 "[ . 1 . 2]" 1
64 1 17 ALA MB 1 18 ARG H . . 3.610 3.240 2.247 3.609 . 0 0 "[ . 1 . 2]" 1
65 1 17 ALA MB 1 18 ARG HA . . 5.010 4.524 4.025 4.619 . 0 0 "[ . 1 . 2]" 1
66 1 17 ALA MB 1 58 ASP HA . . 5.310 4.250 3.749 4.650 . 0 0 "[ . 1 . 2]" 1
67 1 17 ALA MB 1 58 ASP QB . . 3.900 3.583 3.057 3.901 0.001 7 0 "[ . 1 . 2]" 1
68 1 17 ALA MB 1 59 LEU H . . 4.120 3.725 3.015 4.121 0.001 10 0 "[ . 1 . 2]" 1
69 1 17 ALA MB 1 60 PRO HA . . 3.710 1.994 1.918 2.207 . 0 0 "[ . 1 . 2]" 1
70 1 17 ALA MB 1 60 PRO QD . . 5.130 3.581 3.129 3.895 . 0 0 "[ . 1 . 2]" 1
71 1 17 ALA MB 1 61 GLU H . . 5.240 4.955 4.852 5.225 . 0 0 "[ . 1 . 2]" 1
72 1 17 ALA MB 1 96 VAL MG1 . . 5.100 4.644 4.471 4.878 . 0 0 "[ . 1 . 2]" 1
73 1 18 ARG H 1 18 ARG HB2 . . 3.500 2.306 2.107 3.570 0.070 1 0 "[ . 1 . 2]" 1
74 1 18 ARG H 1 18 ARG QB . . 2.960 2.174 2.073 2.406 . 0 0 "[ . 1 . 2]" 1
75 1 18 ARG H 1 18 ARG HB3 . . 3.500 2.888 2.367 3.088 . 0 0 "[ . 1 . 2]" 1
76 1 18 ARG H 1 18 ARG QD . . 4.940 4.449 4.162 4.591 . 0 0 "[ . 1 . 2]" 1
77 1 18 ARG H 1 19 PRO HD2 . . 4.820 4.625 4.484 4.798 . 0 0 "[ . 1 . 2]" 1
78 1 18 ARG H 1 19 PRO HD3 . . 4.760 4.416 3.983 4.908 0.148 1 0 "[ . 1 . 2]" 1
79 1 18 ARG H 1 96 VAL MG1 . . 4.290 4.048 3.428 4.290 . 0 0 "[ . 1 . 2]" 1
80 1 18 ARG HA 1 18 ARG QD . . 3.880 3.053 2.311 3.787 . 0 0 "[ . 1 . 2]" 1
81 1 18 ARG HA 1 18 ARG QG . . 3.560 2.281 2.081 3.421 . 0 0 "[ . 1 . 2]" 1
82 1 18 ARG HA 1 19 PRO HD2 . . 3.560 1.947 1.924 2.201 . 0 0 "[ . 1 . 2]" 1
83 1 18 ARG HA 1 19 PRO HD3 . . 3.600 2.417 2.253 2.600 . 0 0 "[ . 1 . 2]" 1
84 1 18 ARG HA 1 19 PRO QG . . 4.140 3.778 3.766 3.885 . 0 0 "[ . 1 . 2]" 1
85 1 18 ARG QB 1 18 ARG QD . . 2.920 2.176 1.985 2.527 . 0 0 "[ . 1 . 2]" 1
86 1 18 ARG QB 1 19 PRO HD3 . . 4.820 4.410 3.622 4.489 . 0 0 "[ . 1 . 2]" 1
87 1 18 ARG QB 1 96 VAL MG1 . . 3.840 2.437 1.986 3.698 . 0 0 "[ . 1 . 2]" 1
88 1 18 ARG QB 1 99 SER H . . 3.710 3.232 2.598 3.726 0.016 11 0 "[ . 1 . 2]" 1
89 1 18 ARG QB 1 99 SER QB . . 4.760 4.101 3.001 4.763 0.003 3 0 "[ . 1 . 2]" 1
90 1 18 ARG HB2 1 19 PRO HD2 . . 4.500 4.266 2.402 4.561 0.061 11 0 "[ . 1 . 2]" 1
91 1 18 ARG HB2 1 19 PRO HD3 . . 5.500 4.928 3.782 5.049 . 0 0 "[ . 1 . 2]" 1
92 1 18 ARG HB3 1 19 PRO HD2 . . 4.500 4.301 3.737 4.544 0.044 2 0 "[ . 1 . 2]" 1
93 1 18 ARG HB3 1 19 PRO HD3 . . 5.500 4.988 4.635 5.057 . 0 0 "[ . 1 . 2]" 1
94 1 18 ARG QD 1 19 PRO HD2 . . 4.400 2.957 2.189 3.733 . 0 0 "[ . 1 . 2]" 1
95 1 18 ARG QD 1 19 PRO HD3 . . 5.340 4.234 3.682 4.759 . 0 0 "[ . 1 . 2]" 1
96 1 18 ARG QD 1 96 VAL HA . . 4.860 4.407 3.424 4.859 . 0 0 "[ . 1 . 2]" 1
97 1 18 ARG QD 1 96 VAL MG1 . . 3.700 2.539 1.883 3.006 . 0 0 "[ . 1 . 2]" 1
98 1 18 ARG QD 1 96 VAL MG2 . . 4.470 4.177 3.115 4.480 0.010 10 0 "[ . 1 . 2]" 1
99 1 18 ARG QD 1 97 LYS H . . 4.350 3.621 2.666 4.354 0.004 10 0 "[ . 1 . 2]" 1
100 1 18 ARG QD 1 99 SER QB . . 5.180 3.836 3.072 4.719 . 0 0 "[ . 1 . 2]" 1
101 1 18 ARG QG 1 19 PRO HD2 . . 4.520 2.872 1.977 4.244 . 0 0 "[ . 1 . 2]" 1
102 1 18 ARG QG 1 96 VAL MG1 . . 4.310 3.634 2.003 4.148 . 0 0 "[ . 1 . 2]" 1
103 1 18 ARG QG 1 99 SER H . . 3.830 2.165 1.938 2.667 . 0 0 "[ . 1 . 2]" 1
104 1 18 ARG QG 1 99 SER QB . . 4.460 2.558 1.818 3.745 . 0 0 "[ . 1 . 2]" 1
105 1 18 ARG QG 1 100 ASP H . . 4.060 3.964 3.767 4.175 0.115 18 0 "[ . 1 . 2]" 1
106 1 19 PRO HA 1 20 THR H . . 2.850 2.259 2.167 2.423 . 0 0 "[ . 1 . 2]" 1
107 1 19 PRO HA 1 56 ILE MG . . 4.720 4.241 3.833 4.649 . 0 0 "[ . 1 . 2]" 1
108 1 19 PRO HA 1 58 ASP QB . . 4.520 4.118 3.678 4.522 0.002 6 0 "[ . 1 . 2]" 1
109 1 19 PRO QB 1 20 THR H . . 3.330 2.911 2.488 3.209 . 0 0 "[ . 1 . 2]" 1
110 1 19 PRO QB 1 56 ILE MG . . 3.300 2.398 2.031 2.736 . 0 0 "[ . 1 . 2]" 1
111 1 19 PRO QB 1 57 LEU H . . 5.340 4.525 4.240 4.863 . 0 0 "[ . 1 . 2]" 1
112 1 19 PRO HB2 1 20 THR H . . 3.990 3.051 2.555 3.408 . 0 0 "[ . 1 . 2]" 1
113 1 19 PRO HB2 1 56 ILE MG . . 3.800 2.458 2.071 2.824 . 0 0 "[ . 1 . 2]" 1
114 1 19 PRO HB2 1 58 ASP HA . . 4.380 3.953 3.435 4.396 0.016 1 0 "[ . 1 . 2]" 1
115 1 19 PRO HB3 1 20 THR H . . 3.990 3.701 3.424 3.917 . 0 0 "[ . 1 . 2]" 1
116 1 19 PRO HB3 1 56 ILE MG . . 3.800 3.343 2.935 3.669 . 0 0 "[ . 1 . 2]" 1
117 1 19 PRO HB3 1 58 ASP HA . . 4.380 2.905 2.168 3.550 . 0 0 "[ . 1 . 2]" 1
118 1 19 PRO HD2 1 96 VAL MG1 . . 5.500 5.464 5.319 5.531 0.031 1 0 "[ . 1 . 2]" 1
119 1 19 PRO QG 1 20 THR H . . 4.610 4.424 4.127 4.609 . 0 0 "[ . 1 . 2]" 1
120 1 19 PRO QG 1 56 ILE MG . . 4.140 3.515 3.213 3.792 . 0 0 "[ . 1 . 2]" 1
121 1 20 THR H 1 20 THR HB . . 3.080 2.722 2.601 2.927 . 0 0 "[ . 1 . 2]" 1
122 1 20 THR H 1 20 THR MG . . 4.080 3.886 3.841 3.975 . 0 0 "[ . 1 . 2]" 1
123 1 20 THR H 1 21 VAL H . . 4.390 4.318 4.205 4.436 0.046 2 0 "[ . 1 . 2]" 1
124 1 20 THR H 1 56 ILE MG . . 3.590 3.566 3.408 3.598 0.008 11 0 "[ . 1 . 2]" 1
125 1 20 THR H 1 57 LEU H . . 3.670 3.468 3.259 3.664 . 0 0 "[ . 1 . 2]" 1
126 1 20 THR H 1 57 LEU HB3 . . 5.050 4.519 4.250 4.868 . 0 0 "[ . 1 . 2]" 1
127 1 20 THR H 1 58 ASP H . . 4.850 4.627 4.433 4.859 0.009 11 0 "[ . 1 . 2]" 1
128 1 20 THR H 1 59 LEU H . . 3.960 3.309 2.801 3.532 . 0 0 "[ . 1 . 2]" 1
129 1 20 THR H 1 59 LEU MD1 . . 4.710 4.174 3.680 4.494 . 0 0 "[ . 1 . 2]" 1
130 1 20 THR HA 1 20 THR MG . . 3.170 2.265 2.146 2.346 . 0 0 "[ . 1 . 2]" 1
131 1 20 THR HA 1 21 VAL H . . 2.810 2.156 2.141 2.205 . 0 0 "[ . 1 . 2]" 1
132 1 20 THR HA 1 21 VAL MG1 . . 4.070 3.671 3.571 3.750 . 0 0 "[ . 1 . 2]" 1
133 1 20 THR HA 1 59 LEU MD1 . . 5.360 4.982 4.400 5.314 . 0 0 "[ . 1 . 2]" 1
134 1 20 THR HB 1 21 VAL H . . 4.360 4.158 4.039 4.286 . 0 0 "[ . 1 . 2]" 1
135 1 20 THR HB 1 22 ILE MD . . 4.830 4.282 3.767 4.448 . 0 0 "[ . 1 . 2]" 1
136 1 20 THR HB 1 57 LEU H . . 4.150 4.053 3.568 4.164 0.014 2 0 "[ . 1 . 2]" 1
137 1 20 THR HB 1 57 LEU HB3 . . 5.450 4.617 4.279 5.135 . 0 0 "[ . 1 . 2]" 1
138 1 20 THR HB 1 57 LEU HG . . 5.500 4.993 4.482 5.280 . 0 0 "[ . 1 . 2]" 1
139 1 20 THR HB 1 59 LEU H . . 4.910 4.684 4.074 4.930 0.020 11 0 "[ . 1 . 2]" 1
140 1 20 THR HB 1 59 LEU MD1 . . 3.810 2.638 2.350 2.905 . 0 0 "[ . 1 . 2]" 1
141 1 20 THR HB 1 59 LEU MD2 . . 4.890 4.277 3.783 4.581 . 0 0 "[ . 1 . 2]" 1
142 1 20 THR HB 1 59 LEU HG . . 5.060 3.129 2.376 3.543 . 0 0 "[ . 1 . 2]" 1
143 1 20 THR HB 1 94 ILE MD . . 4.500 3.251 2.819 3.806 . 0 0 "[ . 1 . 2]" 1
144 1 20 THR MG 1 21 VAL H . . 3.130 2.556 2.070 3.007 . 0 0 "[ . 1 . 2]" 1
145 1 20 THR MG 1 22 ILE MD . . 3.370 3.251 3.081 3.377 0.007 2 0 "[ . 1 . 2]" 1
146 1 20 THR MG 1 57 LEU H . . 4.670 4.529 4.373 4.675 0.005 10 0 "[ . 1 . 2]" 1
147 1 20 THR MG 1 57 LEU MD1 . . 4.880 3.876 3.536 4.092 . 0 0 "[ . 1 . 2]" 1
148 1 20 THR MG 1 59 LEU MD1 . . 3.510 3.245 2.176 3.539 0.029 2 0 "[ . 1 . 2]" 1
149 1 20 THR MG 1 94 ILE MD . . 2.580 1.798 1.758 1.855 . 0 0 "[ . 1 . 2]" 1
150 1 21 VAL H 1 21 VAL HB . . 3.140 2.979 2.910 3.061 . 0 0 "[ . 1 . 2]" 1
151 1 21 VAL H 1 21 VAL MG1 . . 3.050 1.924 1.911 1.991 . 0 0 "[ . 1 . 2]" 1
152 1 21 VAL H 1 22 ILE H . . 4.570 4.424 4.329 4.507 . 0 0 "[ . 1 . 2]" 1
153 1 21 VAL HA 1 21 VAL MG1 . . 3.200 3.190 3.182 3.203 0.003 3 0 "[ . 1 . 2]" 1
154 1 21 VAL HA 1 21 VAL MG2 . . 3.290 2.318 2.272 2.383 . 0 0 "[ . 1 . 2]" 1
155 1 21 VAL HA 1 22 ILE H . . 2.960 2.153 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
156 1 21 VAL HA 1 56 ILE HG12 . . 4.650 4.516 4.103 4.650 0.000 9 0 "[ . 1 . 2]" 1
157 1 21 VAL HB 1 22 ILE H . . 4.300 4.182 4.049 4.251 . 0 0 "[ . 1 . 2]" 1
158 1 21 VAL HB 1 56 ILE MD . . 3.910 3.886 3.687 3.915 0.005 2 0 "[ . 1 . 2]" 1
159 1 21 VAL HB 1 56 ILE HG12 . . 4.320 3.072 2.864 3.198 . 0 0 "[ . 1 . 2]" 1
160 1 21 VAL HB 1 56 ILE MG . . 3.550 2.990 2.844 3.111 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL HB 1 57 LEU H . . 5.200 4.660 4.411 5.205 0.005 12 0 "[ . 1 . 2]" 1
162 1 21 VAL MG1 1 56 ILE HG13 . . 4.040 3.812 3.640 3.972 . 0 0 "[ . 1 . 2]" 1
163 1 21 VAL MG2 1 22 ILE H . . 3.040 2.519 2.131 2.747 . 0 0 "[ . 1 . 2]" 1
164 1 22 ILE H 1 22 ILE HB . . 3.230 2.715 2.651 2.838 . 0 0 "[ . 1 . 2]" 1
165 1 22 ILE H 1 22 ILE MD . . 4.240 3.956 3.861 4.143 . 0 0 "[ . 1 . 2]" 1
166 1 22 ILE H 1 22 ILE MG . . 4.030 3.879 3.853 3.934 . 0 0 "[ . 1 . 2]" 1
167 1 22 ILE H 1 23 ARG H . . 4.550 4.442 4.318 4.524 . 0 0 "[ . 1 . 2]" 1
168 1 22 ILE H 1 55 ALA MB . . 3.830 3.674 3.619 3.810 . 0 0 "[ . 1 . 2]" 1
169 1 22 ILE HA 1 22 ILE MD . . 3.910 3.855 3.838 3.869 . 0 0 "[ . 1 . 2]" 1
170 1 22 ILE HA 1 22 ILE HG12 . . 3.760 2.603 2.578 2.627 . 0 0 "[ . 1 . 2]" 1
171 1 22 ILE HA 1 22 ILE MG . . 3.300 2.346 2.300 2.372 . 0 0 "[ . 1 . 2]" 1
172 1 22 ILE HA 1 23 ARG H . . 3.080 2.191 2.156 2.254 . 0 0 "[ . 1 . 2]" 1
173 1 22 ILE HA 1 94 ILE MD . . 4.520 4.226 3.888 4.476 . 0 0 "[ . 1 . 2]" 1
174 1 22 ILE HB 1 22 ILE MD . . 3.640 2.374 2.331 2.409 . 0 0 "[ . 1 . 2]" 1
175 1 22 ILE HB 1 23 ARG H . . 4.060 3.947 3.769 4.073 0.013 12 0 "[ . 1 . 2]" 1
176 1 22 ILE HB 1 33 ILE MD . . 4.550 3.073 2.935 3.189 . 0 0 "[ . 1 . 2]" 1
177 1 22 ILE HB 1 46 LEU MD1 . . 4.130 3.996 3.828 4.135 0.005 15 0 "[ . 1 . 2]" 1
178 1 22 ILE HB 1 46 LEU HG . . 5.290 5.115 4.986 5.292 0.002 9 0 "[ . 1 . 2]" 1
179 1 22 ILE HB 1 55 ALA MB . . 4.030 3.588 3.301 3.810 . 0 0 "[ . 1 . 2]" 1
180 1 22 ILE HB 1 57 LEU MD1 . . 4.670 4.171 3.797 4.426 . 0 0 "[ . 1 . 2]" 1
181 1 22 ILE HB 1 66 TYR QD . . 5.500 5.056 4.728 5.247 . 0 0 "[ . 1 . 2]" 1
182 1 22 ILE HB 1 66 TYR QE . . 5.360 4.530 4.286 4.796 . 0 0 "[ . 1 . 2]" 1
183 1 22 ILE HB 1 68 PHE HZ . . 4.090 3.836 3.573 4.095 0.005 2 0 "[ . 1 . 2]" 1
184 1 22 ILE MD 1 22 ILE MG . . 3.020 2.001 1.927 2.089 . 0 0 "[ . 1 . 2]" 1
185 1 22 ILE MD 1 23 ARG H . . 5.050 4.976 4.793 5.082 0.032 12 0 "[ . 1 . 2]" 1
186 1 22 ILE MD 1 33 ILE HB . . 5.040 4.670 4.466 4.877 . 0 0 "[ . 1 . 2]" 1
187 1 22 ILE MD 1 33 ILE MD . . 3.320 2.056 1.900 2.200 . 0 0 "[ . 1 . 2]" 1
188 1 22 ILE MD 1 46 LEU MD1 . . 4.860 4.521 4.327 4.705 . 0 0 "[ . 1 . 2]" 1
189 1 22 ILE MD 1 55 ALA MB . . 4.590 4.398 4.162 4.588 . 0 0 "[ . 1 . 2]" 1
190 1 22 ILE MD 1 59 LEU MD1 . . 4.200 4.164 3.956 4.207 0.007 10 0 "[ . 1 . 2]" 1
191 1 22 ILE MD 1 66 TYR QD . . 3.740 2.848 2.552 3.035 . 0 0 "[ . 1 . 2]" 1
192 1 22 ILE MD 1 66 TYR QE . . 3.530 2.733 2.548 3.027 . 0 0 "[ . 1 . 2]" 1
193 1 22 ILE MD 1 67 LYS H . . 5.410 5.338 4.937 5.422 0.012 12 0 "[ . 1 . 2]" 1
194 1 22 ILE MD 1 68 PHE QE . . 4.280 4.003 3.831 4.197 . 0 0 "[ . 1 . 2]" 1
195 1 22 ILE MD 1 68 PHE HZ . . 4.350 3.786 3.661 4.011 . 0 0 "[ . 1 . 2]" 1
196 1 22 ILE MD 1 94 ILE H . . 5.500 5.497 5.442 5.508 0.008 19 0 "[ . 1 . 2]" 1
197 1 22 ILE MD 1 94 ILE HB . . 4.660 2.977 2.848 3.074 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE MD 1 94 ILE MD . . 3.200 1.905 1.825 2.010 . 0 0 "[ . 1 . 2]" 1
199 1 22 ILE MD 1 94 ILE HG12 . . 5.260 3.959 3.786 4.283 . 0 0 "[ . 1 . 2]" 1
200 1 22 ILE MD 1 94 ILE QG . . 4.550 3.649 3.529 3.863 . 0 0 "[ . 1 . 2]" 1
201 1 22 ILE MD 1 94 ILE HG13 . . 5.260 4.280 4.201 4.437 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE MD 1 94 ILE MG . . 3.640 3.001 2.848 3.208 . 0 0 "[ . 1 . 2]" 1
203 1 22 ILE HG12 1 94 ILE QG . . 5.120 4.385 4.117 4.641 . 0 0 "[ . 1 . 2]" 1
204 1 22 ILE MG 1 23 ARG H . . 3.440 2.354 2.160 2.540 . 0 0 "[ . 1 . 2]" 1
205 1 22 ILE MG 1 23 ARG HA . . 4.650 3.817 3.679 3.896 . 0 0 "[ . 1 . 2]" 1
206 1 22 ILE MG 1 24 TRP H . . 4.750 4.667 4.410 4.756 0.006 18 0 "[ . 1 . 2]" 1
207 1 22 ILE MG 1 33 ILE MD . . 3.330 3.171 2.992 3.332 0.002 10 0 "[ . 1 . 2]" 1
208 1 22 ILE MG 1 66 TYR QD . . 4.390 3.854 3.631 4.090 . 0 0 "[ . 1 . 2]" 1
209 1 22 ILE MG 1 66 TYR QE . . 3.800 2.476 2.255 2.750 . 0 0 "[ . 1 . 2]" 1
210 1 22 ILE MG 1 68 PHE QD . . 4.610 4.517 4.420 4.581 . 0 0 "[ . 1 . 2]" 1
211 1 22 ILE MG 1 68 PHE QE . . 3.020 2.897 2.782 2.983 . 0 0 "[ . 1 . 2]" 1
212 1 22 ILE MG 1 68 PHE HZ . . 3.010 1.921 1.889 2.021 . 0 0 "[ . 1 . 2]" 1
213 1 23 ARG H 1 23 ARG QB . . 3.590 2.383 2.326 2.467 . 0 0 "[ . 1 . 2]" 1
214 1 23 ARG H 1 24 TRP H . . 4.550 4.512 4.420 4.551 0.001 6 0 "[ . 1 . 2]" 1
215 1 23 ARG H 1 54 VAL QG . . 4.830 4.271 3.601 4.760 . 0 0 "[ . 1 . 2]" 1
216 1 23 ARG HA 1 23 ARG QD . . 4.910 4.019 3.622 4.288 . 0 0 "[ . 1 . 2]" 1
217 1 23 ARG HA 1 23 ARG HG3 . . 3.740 2.617 2.216 3.559 . 0 0 "[ . 1 . 2]" 1
218 1 23 ARG HA 1 24 TRP H . . 2.940 2.253 2.169 2.314 . 0 0 "[ . 1 . 2]" 1
219 1 23 ARG HA 1 46 LEU MD2 . . 4.100 3.724 3.402 3.997 . 0 0 "[ . 1 . 2]" 1
220 1 23 ARG HA 1 54 VAL H . . 5.000 4.768 4.623 4.998 . 0 0 "[ . 1 . 2]" 1
221 1 23 ARG HA 1 54 VAL HA . . 2.960 2.238 2.098 2.485 . 0 0 "[ . 1 . 2]" 1
222 1 23 ARG HA 1 54 VAL HB . . 4.200 3.872 3.675 4.358 0.158 12 0 "[ . 1 . 2]" 1
223 1 23 ARG HA 1 54 VAL QG . . 3.680 2.217 1.936 2.673 . 0 0 "[ . 1 . 2]" 1
224 1 23 ARG QB 1 24 TRP H . . 3.680 3.516 3.332 3.688 0.008 9 0 "[ . 1 . 2]" 1
225 1 23 ARG QB 1 54 VAL HA . . 4.700 3.945 3.617 4.382 . 0 0 "[ . 1 . 2]" 1
226 1 23 ARG QB 1 54 VAL QG . . 3.640 2.397 1.956 2.993 . 0 0 "[ . 1 . 2]" 1
227 1 23 ARG HB2 1 24 TRP H . . 4.220 3.996 3.891 4.150 . 0 0 "[ . 1 . 2]" 1
228 1 23 ARG HB3 1 24 TRP H . . 4.220 3.915 3.532 4.230 0.010 19 0 "[ . 1 . 2]" 1
229 1 23 ARG QD 1 54 VAL QG . . 3.930 3.063 2.441 3.912 . 0 0 "[ . 1 . 2]" 1
230 1 23 ARG HG2 1 24 TRP H . . 4.030 2.616 2.023 3.252 . 0 0 "[ . 1 . 2]" 1
231 1 23 ARG HG2 1 25 SER HB2 . . 5.350 4.244 3.703 5.428 0.078 19 0 "[ . 1 . 2]" 1
232 1 23 ARG HG2 1 25 SER QB . . 4.490 3.848 3.626 4.290 . 0 0 "[ . 1 . 2]" 1
233 1 23 ARG HG2 1 25 SER HB3 . . 5.350 4.961 3.995 5.348 . 0 0 "[ . 1 . 2]" 1
234 1 23 ARG HG2 1 54 VAL HA . . 5.260 4.936 3.873 5.260 . 0 0 "[ . 1 . 2]" 1
235 1 23 ARG HG3 1 24 TRP H . . 3.940 2.680 2.168 3.765 . 0 0 "[ . 1 . 2]" 1
236 1 23 ARG HG3 1 54 VAL HA . . 4.980 3.875 3.486 4.922 . 0 0 "[ . 1 . 2]" 1
237 1 24 TRP H 1 24 TRP HB2 . . 3.600 3.244 3.100 3.379 . 0 0 "[ . 1 . 2]" 1
238 1 24 TRP H 1 24 TRP HB3 . . 3.500 2.591 2.463 2.713 . 0 0 "[ . 1 . 2]" 1
239 1 24 TRP H 1 25 SER H . . 4.500 4.358 4.260 4.463 . 0 0 "[ . 1 . 2]" 1
240 1 24 TRP H 1 31 VAL MG1 . . 5.440 5.162 4.815 5.436 . 0 0 "[ . 1 . 2]" 1
241 1 24 TRP H 1 53 PHE H . . 3.740 3.627 3.404 3.782 0.042 12 0 "[ . 1 . 2]" 1
242 1 24 TRP H 1 53 PHE HB2 . . 3.970 3.282 3.011 3.604 . 0 0 "[ . 1 . 2]" 1
243 1 24 TRP H 1 53 PHE QD . . 5.160 4.962 4.799 5.166 0.006 1 0 "[ . 1 . 2]" 1
244 1 24 TRP H 1 54 VAL H . . 4.940 4.714 4.481 4.922 . 0 0 "[ . 1 . 2]" 1
245 1 24 TRP H 1 54 VAL HA . . 3.790 3.373 3.171 3.617 . 0 0 "[ . 1 . 2]" 1
246 1 24 TRP H 1 54 VAL QG . . 3.470 3.276 2.963 3.452 . 0 0 "[ . 1 . 2]" 1
247 1 24 TRP HA 1 24 TRP HE3 . . 4.270 2.723 2.391 3.032 . 0 0 "[ . 1 . 2]" 1
248 1 24 TRP HA 1 25 SER H . . 2.780 2.173 2.147 2.247 . 0 0 "[ . 1 . 2]" 1
249 1 24 TRP HB2 1 24 TRP HE1 . . 5.230 5.206 5.168 5.236 0.006 9 0 "[ . 1 . 2]" 1
250 1 24 TRP HB2 1 25 SER H . . 4.180 4.078 3.921 4.159 . 0 0 "[ . 1 . 2]" 1
251 1 24 TRP HB2 1 31 VAL MG1 . . 4.300 3.240 3.053 3.498 . 0 0 "[ . 1 . 2]" 1
252 1 24 TRP HB2 1 46 LEU MD2 . . 4.260 2.367 2.181 2.545 . 0 0 "[ . 1 . 2]" 1
253 1 24 TRP HB2 1 53 PHE QD . . 5.500 5.317 5.171 5.503 0.003 9 0 "[ . 1 . 2]" 1
254 1 24 TRP HB2 1 68 PHE QD . . 4.230 3.599 3.361 3.816 . 0 0 "[ . 1 . 2]" 1
255 1 24 TRP HB2 1 68 PHE QE . . 3.850 2.666 2.389 2.891 . 0 0 "[ . 1 . 2]" 1
256 1 24 TRP HB3 1 24 TRP HD1 . . 3.200 2.591 2.552 2.644 . 0 0 "[ . 1 . 2]" 1
257 1 24 TRP HB3 1 24 TRP HE1 . . 4.900 4.765 4.753 4.783 . 0 0 "[ . 1 . 2]" 1
258 1 24 TRP HB3 1 25 SER H . . 4.370 4.214 4.014 4.316 . 0 0 "[ . 1 . 2]" 1
259 1 24 TRP HB3 1 25 SER HA . . 4.990 4.892 4.805 4.957 . 0 0 "[ . 1 . 2]" 1
260 1 24 TRP HB3 1 31 VAL MG1 . . 3.890 2.939 2.729 3.220 . 0 0 "[ . 1 . 2]" 1
261 1 24 TRP HB3 1 31 VAL MG2 . . 4.720 3.878 3.474 4.143 . 0 0 "[ . 1 . 2]" 1
262 1 24 TRP HB3 1 46 LEU MD1 . . 5.040 4.588 4.398 4.773 . 0 0 "[ . 1 . 2]" 1
263 1 24 TRP HB3 1 46 LEU MD2 . . 4.010 2.164 2.031 2.376 . 0 0 "[ . 1 . 2]" 1
264 1 24 TRP HB3 1 54 VAL HA . . 4.840 4.712 4.528 4.851 0.011 9 0 "[ . 1 . 2]" 1
265 1 24 TRP HB3 1 68 PHE QE . . 4.660 4.054 3.834 4.366 . 0 0 "[ . 1 . 2]" 1
266 1 24 TRP HD1 1 27 GLY H . . 4.370 4.091 3.899 4.370 0.000 2 0 "[ . 1 . 2]" 1
267 1 24 TRP HD1 1 31 VAL MG1 . . 3.710 2.777 2.502 3.070 . 0 0 "[ . 1 . 2]" 1
268 1 24 TRP HD1 1 31 VAL MG2 . . 3.330 2.285 2.022 2.454 . 0 0 "[ . 1 . 2]" 1
269 1 24 TRP HD1 1 46 LEU MD2 . . 4.660 3.496 3.230 3.849 . 0 0 "[ . 1 . 2]" 1
270 1 24 TRP HD1 1 53 PHE H . . 4.360 3.953 3.792 4.044 . 0 0 "[ . 1 . 2]" 1
271 1 24 TRP HD1 1 53 PHE HB2 . . 3.270 2.535 2.230 2.691 . 0 0 "[ . 1 . 2]" 1
272 1 24 TRP HD1 1 53 PHE QD . . 2.980 2.437 2.086 2.605 . 0 0 "[ . 1 . 2]" 1
273 1 24 TRP HD1 1 70 VAL MG1 . . 4.720 4.524 4.379 4.701 . 0 0 "[ . 1 . 2]" 1
274 1 24 TRP HD1 1 70 VAL MG2 . . 4.070 3.782 3.692 3.918 . 0 0 "[ . 1 . 2]" 1
275 1 24 TRP HE1 1 25 SER H . . 5.150 5.105 4.776 5.235 0.085 19 0 "[ . 1 . 2]" 1
276 1 24 TRP HE1 1 25 SER HA . . 5.210 5.159 5.073 5.217 0.007 13 0 "[ . 1 . 2]" 1
277 1 24 TRP HE1 1 26 GLU HB2 . . 4.020 2.690 2.433 2.899 . 0 0 "[ . 1 . 2]" 1
278 1 24 TRP HE1 1 26 GLU HB3 . . 3.700 2.124 1.945 2.410 . 0 0 "[ . 1 . 2]" 1
279 1 24 TRP HE1 1 26 GLU HG2 . . 4.630 4.080 3.430 4.637 0.007 13 0 "[ . 1 . 2]" 1
280 1 24 TRP HE1 1 26 GLU HG3 . . 4.630 4.275 3.716 4.595 . 0 0 "[ . 1 . 2]" 1
281 1 24 TRP HE1 1 27 GLY H . . 3.630 3.543 3.370 3.631 0.001 5 0 "[ . 1 . 2]" 1
282 1 24 TRP HE1 1 28 GLY H . . 4.690 3.583 3.431 3.682 . 0 0 "[ . 1 . 2]" 1
283 1 24 TRP HE1 1 28 GLY HA2 . . 5.500 5.503 5.463 5.527 0.027 11 0 "[ . 1 . 2]" 1
284 1 24 TRP HE1 1 28 GLY HA3 . . 4.330 4.118 4.049 4.213 . 0 0 "[ . 1 . 2]" 1
285 1 24 TRP HE1 1 31 VAL MG1 . . 4.410 3.611 3.404 3.915 . 0 0 "[ . 1 . 2]" 1
286 1 24 TRP HE1 1 31 VAL MG2 . . 3.770 2.879 2.626 3.190 . 0 0 "[ . 1 . 2]" 1
287 1 24 TRP HE1 1 53 PHE HB2 . . 5.480 5.102 4.801 5.254 . 0 0 "[ . 1 . 2]" 1
288 1 24 TRP HE1 1 53 PHE QD . . 4.440 4.320 4.010 4.455 0.015 12 0 "[ . 1 . 2]" 1
289 1 24 TRP HE1 1 70 VAL HA . . 5.500 5.448 5.279 5.507 0.007 9 0 "[ . 1 . 2]" 1
290 1 24 TRP HE1 1 70 VAL HB . . 4.910 4.592 4.422 4.764 . 0 0 "[ . 1 . 2]" 1
291 1 24 TRP HE1 1 70 VAL MG1 . . 3.320 2.885 2.745 3.012 . 0 0 "[ . 1 . 2]" 1
292 1 24 TRP HE1 1 70 VAL MG2 . . 3.860 2.203 2.097 2.386 . 0 0 "[ . 1 . 2]" 1
293 1 24 TRP HE1 1 75 VAL MG2 . . 4.530 4.398 4.279 4.532 0.002 11 0 "[ . 1 . 2]" 1
294 1 24 TRP HE3 1 68 PHE HB2 . . 4.990 4.478 4.209 4.703 . 0 0 "[ . 1 . 2]" 1
295 1 24 TRP HE3 1 68 PHE QD . . 3.880 3.294 3.123 3.407 . 0 0 "[ . 1 . 2]" 1
296 1 24 TRP HE3 1 68 PHE QE . . 3.850 3.031 2.890 3.148 . 0 0 "[ . 1 . 2]" 1
297 1 24 TRP HE3 1 68 PHE HZ . . 4.300 3.374 3.195 3.516 . 0 0 "[ . 1 . 2]" 1
298 1 24 TRP HH2 1 26 GLU HB2 . . 4.350 4.172 3.970 4.365 0.015 19 0 "[ . 1 . 2]" 1
299 1 24 TRP HH2 1 26 GLU QG . . 4.240 4.027 3.747 4.243 0.003 1 0 "[ . 1 . 2]" 1
300 1 24 TRP HH2 1 70 VAL MG2 . . 4.340 3.747 3.433 4.094 . 0 0 "[ . 1 . 2]" 1
301 1 24 TRP HH2 1 75 VAL H . . 5.500 5.252 4.957 5.509 0.009 11 0 "[ . 1 . 2]" 1
302 1 24 TRP HH2 1 75 VAL HB . . 3.620 2.442 2.207 2.636 . 0 0 "[ . 1 . 2]" 1
303 1 24 TRP HH2 1 75 VAL MG1 . . 3.700 3.639 3.399 3.710 0.010 4 0 "[ . 1 . 2]" 1
304 1 24 TRP HH2 1 75 VAL MG2 . . 3.170 2.179 2.049 2.292 . 0 0 "[ . 1 . 2]" 1
305 1 24 TRP HH2 1 76 HIS H . . 4.790 4.076 3.560 4.379 . 0 0 "[ . 1 . 2]" 1
306 1 24 TRP HH2 1 77 ASP HA . . 4.830 4.293 4.097 4.669 . 0 0 "[ . 1 . 2]" 1
307 1 24 TRP HZ2 1 26 GLU HB2 . . 3.500 2.599 2.416 2.740 . 0 0 "[ . 1 . 2]" 1
308 1 24 TRP HZ2 1 26 GLU HB3 . . 3.620 3.180 3.020 3.322 . 0 0 "[ . 1 . 2]" 1
309 1 24 TRP HZ2 1 26 GLU HG2 . . 4.410 3.102 2.206 4.179 . 0 0 "[ . 1 . 2]" 1
310 1 24 TRP HZ2 1 26 GLU QG . . 3.530 2.484 2.193 3.057 . 0 0 "[ . 1 . 2]" 1
311 1 24 TRP HZ2 1 26 GLU HG3 . . 4.410 3.418 2.399 4.004 . 0 0 "[ . 1 . 2]" 1
312 1 24 TRP HZ2 1 70 VAL MG1 . . 3.920 3.698 3.430 3.890 . 0 0 "[ . 1 . 2]" 1
313 1 24 TRP HZ2 1 70 VAL MG2 . . 3.380 2.465 2.181 2.658 . 0 0 "[ . 1 . 2]" 1
314 1 24 TRP HZ2 1 75 VAL HB . . 3.990 3.911 3.728 3.995 0.005 11 0 "[ . 1 . 2]" 1
315 1 24 TRP HZ2 1 75 VAL MG1 . . 4.010 3.689 3.394 3.961 . 0 0 "[ . 1 . 2]" 1
316 1 24 TRP HZ2 1 75 VAL MG2 . . 2.950 2.360 2.195 2.634 . 0 0 "[ . 1 . 2]" 1
317 1 24 TRP HZ3 1 68 PHE QD . . 3.460 2.606 2.409 2.867 . 0 0 "[ . 1 . 2]" 1
318 1 24 TRP HZ3 1 68 PHE QE . . 3.850 3.546 3.425 3.692 . 0 0 "[ . 1 . 2]" 1
319 1 24 TRP HZ3 1 75 VAL MG2 . . 3.630 3.334 3.079 3.497 . 0 0 "[ . 1 . 2]" 1
320 1 24 TRP HZ3 1 76 HIS HA . . 4.570 3.939 3.520 4.414 . 0 0 "[ . 1 . 2]" 1
321 1 24 TRP HZ3 1 77 ASP H . . 4.340 3.849 3.390 4.346 0.006 11 0 "[ . 1 . 2]" 1
322 1 24 TRP HZ3 1 77 ASP HA . . 3.740 3.049 2.827 3.387 . 0 0 "[ . 1 . 2]" 1
323 1 24 TRP HZ3 1 77 ASP QB . . 3.810 2.750 2.402 3.274 . 0 0 "[ . 1 . 2]" 1
324 1 24 TRP HZ3 1 78 PRO HD2 . . 4.730 4.504 4.089 4.737 0.007 7 0 "[ . 1 . 2]" 1
325 1 25 SER H 1 25 SER HB2 . . 3.450 3.248 2.907 3.527 0.077 7 0 "[ . 1 . 2]" 1
326 1 25 SER H 1 25 SER QB . . 3.020 2.675 2.510 3.144 0.124 7 0 "[ . 1 . 2]" 1
327 1 25 SER H 1 25 SER HB3 . . 3.450 2.870 2.621 3.532 0.082 10 0 "[ . 1 . 2]" 1
328 1 25 SER HA 1 27 GLY H . . 4.210 4.001 3.901 4.185 . 0 0 "[ . 1 . 2]" 1
329 1 25 SER HA 1 52 ASP HB2 . . 4.490 4.406 3.986 4.495 0.005 16 0 "[ . 1 . 2]" 1
330 1 25 SER HA 1 52 ASP HB3 . . 4.580 2.938 2.493 3.154 . 0 0 "[ . 1 . 2]" 1
331 1 25 SER HA 1 53 PHE H . . 4.240 3.927 3.575 4.237 . 0 0 "[ . 1 . 2]" 1
332 1 26 GLU HA 1 26 GLU HG2 . . 3.890 3.119 2.306 3.678 . 0 0 "[ . 1 . 2]" 1
333 1 26 GLU HA 1 26 GLU QG . . 3.400 2.606 2.272 2.864 . 0 0 "[ . 1 . 2]" 1
334 1 26 GLU HA 1 26 GLU HG3 . . 3.890 2.985 2.740 3.449 . 0 0 "[ . 1 . 2]" 1
335 1 26 GLU HB2 1 27 GLY H . . 3.700 3.640 3.558 3.702 0.002 19 0 "[ . 1 . 2]" 1
336 1 26 GLU HB3 1 27 GLY H . . 3.800 2.460 2.264 2.587 . 0 0 "[ . 1 . 2]" 1
337 1 26 GLU QG 1 27 GLY H . . 4.020 3.947 3.724 4.025 0.005 19 0 "[ . 1 . 2]" 1
338 1 26 GLU QG 1 75 VAL MG2 . . 4.390 4.054 3.690 4.388 . 0 0 "[ . 1 . 2]" 1
339 1 27 GLY H 1 27 GLY HA2 . . 2.820 2.430 2.398 2.464 . 0 0 "[ . 1 . 2]" 1
340 1 27 GLY H 1 28 GLY H . . 3.410 2.122 2.058 2.180 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLY H 1 31 VAL MG2 . . 4.840 4.549 4.391 4.693 . 0 0 "[ . 1 . 2]" 1
342 1 27 GLY H 1 53 PHE QD . . 4.250 3.822 3.637 4.048 . 0 0 "[ . 1 . 2]" 1
343 1 27 GLY H 1 53 PHE QE . . 4.040 3.662 3.261 3.934 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLY HA2 1 28 GLY H . . 2.920 2.831 2.811 2.893 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLY HA2 1 53 PHE QE . . 4.170 3.691 3.143 3.916 . 0 0 "[ . 1 . 2]" 1
346 1 27 GLY HA3 1 53 PHE QE . . 5.360 5.169 4.717 5.346 . 0 0 "[ . 1 . 2]" 1
347 1 28 GLY H 1 28 GLY HA2 . . 2.950 2.933 2.915 2.942 . 0 0 "[ . 1 . 2]" 1
348 1 28 GLY H 1 28 GLY HA3 . . 2.770 2.378 2.348 2.397 . 0 0 "[ . 1 . 2]" 1
349 1 28 GLY H 1 29 LYS H . . 4.570 4.526 4.453 4.561 . 0 0 "[ . 1 . 2]" 1
350 1 28 GLY H 1 31 VAL MG2 . . 4.330 3.594 3.408 3.742 . 0 0 "[ . 1 . 2]" 1
351 1 28 GLY H 1 70 VAL MG1 . . 3.760 3.676 3.527 3.762 0.002 7 0 "[ . 1 . 2]" 1
352 1 28 GLY HA2 1 29 LYS H . . 3.180 2.487 2.420 2.635 . 0 0 "[ . 1 . 2]" 1
353 1 28 GLY HA2 1 30 GLU H . . 4.730 4.495 4.319 4.692 . 0 0 "[ . 1 . 2]" 1
354 1 28 GLY HA2 1 31 VAL MG2 . . 4.750 4.619 4.496 4.754 0.004 19 0 "[ . 1 . 2]" 1
355 1 28 GLY HA2 1 70 VAL MG1 . . 3.830 3.470 3.268 3.652 . 0 0 "[ . 1 . 2]" 1
356 1 28 GLY HA3 1 29 LYS H . . 3.270 2.641 2.491 2.714 . 0 0 "[ . 1 . 2]" 1
357 1 28 GLY HA3 1 30 GLU H . . 4.170 3.850 3.615 4.113 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLY HA3 1 31 VAL MG2 . . 4.310 3.228 3.122 3.351 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLY HA3 1 53 PHE QE . . 4.400 3.941 3.593 4.185 . 0 0 "[ . 1 . 2]" 1
360 1 28 GLY HA3 1 70 VAL MG1 . . 3.690 2.361 2.138 2.545 . 0 0 "[ . 1 . 2]" 1
361 1 29 LYS H 1 29 LYS QB . . 2.960 2.694 2.423 2.943 . 0 0 "[ . 1 . 2]" 1
362 1 29 LYS H 1 29 LYS QD . . 4.040 2.395 1.924 3.783 . 0 0 "[ . 1 . 2]" 1
363 1 29 LYS H 1 29 LYS HG2 . . 4.060 3.004 1.988 4.060 . 0 0 "[ . 1 . 2]" 1
364 1 29 LYS H 1 29 LYS QG . . 3.450 2.405 1.919 2.915 . 0 0 "[ . 1 . 2]" 1
365 1 29 LYS H 1 29 LYS HG3 . . 4.060 3.187 1.944 3.839 . 0 0 "[ . 1 . 2]" 1
366 1 29 LYS H 1 30 GLU H . . 2.820 2.251 2.053 2.407 . 0 0 "[ . 1 . 2]" 1
367 1 29 LYS H 1 30 GLU HA . . 4.990 4.894 4.755 4.992 0.002 15 0 "[ . 1 . 2]" 1
368 1 29 LYS H 1 31 VAL MG2 . . 4.280 4.265 4.204 4.294 0.014 19 0 "[ . 1 . 2]" 1
369 1 29 LYS H 1 70 VAL MG1 . . 3.950 3.640 3.481 3.840 . 0 0 "[ . 1 . 2]" 1
370 1 29 LYS H 1 71 ASP H . . 5.210 4.743 4.505 5.096 . 0 0 "[ . 1 . 2]" 1
371 1 29 LYS HA 1 29 LYS QD . . 4.010 3.714 2.235 4.016 0.006 12 0 "[ . 1 . 2]" 1
372 1 29 LYS HA 1 29 LYS QE . . 4.790 4.667 4.147 4.791 0.001 5 0 "[ . 1 . 2]" 1
373 1 29 LYS HA 1 29 LYS QG . . 3.550 2.966 2.436 3.422 . 0 0 "[ . 1 . 2]" 1
374 1 29 LYS HA 1 30 GLU QG . . 4.870 4.450 3.926 4.876 0.006 2 0 "[ . 1 . 2]" 1
375 1 29 LYS QB 1 29 LYS QD . . 3.140 2.138 1.951 2.411 . 0 0 "[ . 1 . 2]" 1
376 1 29 LYS QB 1 29 LYS QE . . 4.260 2.900 2.246 3.739 . 0 0 "[ . 1 . 2]" 1
377 1 29 LYS QB 1 30 GLU H . . 3.470 2.924 2.344 3.473 0.003 20 0 "[ . 1 . 2]" 1
378 1 29 LYS QD 1 30 GLU H . . 4.220 3.574 3.061 4.390 0.170 19 0 "[ . 1 . 2]" 1
379 1 29 LYS QD 1 30 GLU QG . . 4.650 4.033 1.967 4.768 0.118 19 0 "[ . 1 . 2]" 1
380 1 29 LYS QE 1 29 LYS QG . . 3.370 2.230 2.052 2.464 . 0 0 "[ . 1 . 2]" 1
381 1 29 LYS QG 1 30 GLU H . . 4.190 3.037 1.937 4.183 . 0 0 "[ . 1 . 2]" 1
382 1 30 GLU H 1 30 GLU QG . . 3.580 2.739 1.968 3.516 . 0 0 "[ . 1 . 2]" 1
383 1 30 GLU H 1 31 VAL H . . 4.470 4.203 4.053 4.295 . 0 0 "[ . 1 . 2]" 1
384 1 30 GLU H 1 31 VAL MG2 . . 3.990 3.657 3.448 3.868 . 0 0 "[ . 1 . 2]" 1
385 1 30 GLU H 1 70 VAL MG1 . . 4.200 3.678 3.265 4.084 . 0 0 "[ . 1 . 2]" 1
386 1 30 GLU HA 1 30 GLU QG . . 3.400 2.759 2.125 3.321 . 0 0 "[ . 1 . 2]" 1
387 1 30 GLU HA 1 31 VAL H . . 2.930 2.139 2.138 2.141 . 0 0 "[ . 1 . 2]" 1
388 1 30 GLU HA 1 31 VAL HB . . 5.250 4.744 4.674 4.765 . 0 0 "[ . 1 . 2]" 1
389 1 30 GLU HA 1 31 VAL MG2 . . 4.440 3.631 3.545 3.710 . 0 0 "[ . 1 . 2]" 1
390 1 30 GLU HA 1 53 PHE QE . . 4.310 3.986 3.210 4.308 . 0 0 "[ . 1 . 2]" 1
391 1 30 GLU QB 1 31 VAL H . . 3.890 3.367 3.321 3.428 . 0 0 "[ . 1 . 2]" 1
392 1 30 GLU QB 1 32 PHE QD . . 4.920 3.996 3.676 4.187 . 0 0 "[ . 1 . 2]" 1
393 1 30 GLU QB 1 32 PHE QE . . 3.160 2.323 1.983 2.625 . 0 0 "[ . 1 . 2]" 1
394 1 30 GLU QB 1 71 ASP H . . 4.420 3.586 3.114 4.423 0.003 2 0 "[ . 1 . 2]" 1
395 1 30 GLU QB 1 72 GLY H . . 5.340 4.556 4.023 5.235 . 0 0 "[ . 1 . 2]" 1
396 1 30 GLU HB2 1 32 PHE QE . . 3.930 2.914 2.114 3.511 . 0 0 "[ . 1 . 2]" 1
397 1 30 GLU HB3 1 32 PHE QE . . 3.930 2.693 1.994 3.832 . 0 0 "[ . 1 . 2]" 1
398 1 30 GLU QG 1 31 VAL H . . 4.930 4.468 3.931 4.824 . 0 0 "[ . 1 . 2]" 1
399 1 30 GLU QG 1 32 PHE QE . . 4.800 3.991 2.864 4.405 . 0 0 "[ . 1 . 2]" 1
400 1 30 GLU QG 1 71 ASP H . . 5.300 4.695 2.079 5.303 0.003 3 0 "[ . 1 . 2]" 1
401 1 31 VAL H 1 31 VAL HB . . 3.590 2.749 2.687 2.788 . 0 0 "[ . 1 . 2]" 1
402 1 31 VAL H 1 31 VAL MG1 . . 4.200 3.901 3.872 3.918 . 0 0 "[ . 1 . 2]" 1
403 1 31 VAL H 1 31 VAL MG2 . . 3.660 2.684 2.479 2.802 . 0 0 "[ . 1 . 2]" 1
404 1 31 VAL H 1 32 PHE H . . 5.070 4.424 4.352 4.499 . 0 0 "[ . 1 . 2]" 1
405 1 31 VAL H 1 53 PHE QD . . 4.650 4.307 3.723 4.564 . 0 0 "[ . 1 . 2]" 1
406 1 31 VAL H 1 53 PHE QE . . 4.490 3.663 3.189 4.138 . 0 0 "[ . 1 . 2]" 1
407 1 31 VAL HA 1 31 VAL MG1 . . 3.610 2.297 2.240 2.357 . 0 0 "[ . 1 . 2]" 1
408 1 31 VAL HA 1 31 VAL MG2 . . 3.590 2.419 2.386 2.465 . 0 0 "[ . 1 . 2]" 1
409 1 31 VAL HA 1 32 PHE H . . 3.310 2.209 2.157 2.260 . 0 0 "[ . 1 . 2]" 1
410 1 31 VAL HA 1 69 PHE H . . 4.730 4.367 4.280 4.523 . 0 0 "[ . 1 . 2]" 1
411 1 31 VAL HA 1 70 VAL MG2 . . 4.230 2.880 2.638 3.155 . 0 0 "[ . 1 . 2]" 1
412 1 31 VAL HB 1 32 PHE H . . 4.330 3.909 3.777 4.074 . 0 0 "[ . 1 . 2]" 1
413 1 31 VAL HB 1 46 LEU HB3 . . 4.860 2.611 2.410 2.961 . 0 0 "[ . 1 . 2]" 1
414 1 31 VAL HB 1 53 PHE QD . . 3.810 3.213 2.843 3.553 . 0 0 "[ . 1 . 2]" 1
415 1 31 VAL MG1 1 32 PHE H . . 3.700 2.339 2.155 2.608 . 0 0 "[ . 1 . 2]" 1
416 1 31 VAL MG1 1 32 PHE HA . . 4.190 3.557 3.453 3.668 . 0 0 "[ . 1 . 2]" 1
417 1 31 VAL MG1 1 46 LEU H . . 4.260 3.956 3.772 4.182 . 0 0 "[ . 1 . 2]" 1
418 1 31 VAL MG1 1 46 LEU HB2 . . 4.430 2.433 2.269 2.671 . 0 0 "[ . 1 . 2]" 1
419 1 31 VAL MG1 1 46 LEU HB3 . . 4.040 3.207 3.039 3.419 . 0 0 "[ . 1 . 2]" 1
420 1 31 VAL MG1 1 46 LEU MD1 . . 3.400 2.554 2.280 2.794 . 0 0 "[ . 1 . 2]" 1
421 1 31 VAL MG1 1 46 LEU MD2 . . 3.330 1.915 1.792 2.114 . 0 0 "[ . 1 . 2]" 1
422 1 31 VAL MG1 1 46 LEU HG . . 4.290 4.010 3.864 4.178 . 0 0 "[ . 1 . 2]" 1
423 1 31 VAL MG1 1 53 PHE H . . 5.500 5.496 5.433 5.516 0.016 19 0 "[ . 1 . 2]" 1
424 1 31 VAL MG1 1 53 PHE HB2 . . 4.160 3.496 3.376 3.559 . 0 0 "[ . 1 . 2]" 1
425 1 31 VAL MG1 1 53 PHE HB3 . . 4.490 3.453 3.280 3.689 . 0 0 "[ . 1 . 2]" 1
426 1 31 VAL MG1 1 53 PHE QD . . 4.020 3.925 3.736 4.021 0.001 11 0 "[ . 1 . 2]" 1
427 1 31 VAL MG1 1 68 PHE HA . . 4.410 4.142 3.904 4.246 . 0 0 "[ . 1 . 2]" 1
428 1 31 VAL MG1 1 68 PHE HB3 . . 4.640 3.613 3.371 3.780 . 0 0 "[ . 1 . 2]" 1
429 1 31 VAL MG1 1 68 PHE QD . . 3.310 2.961 2.756 3.129 . 0 0 "[ . 1 . 2]" 1
430 1 31 VAL MG1 1 68 PHE QE . . 4.270 3.892 3.713 4.058 . 0 0 "[ . 1 . 2]" 1
431 1 31 VAL MG1 1 69 PHE H . . 4.540 3.141 2.952 3.337 . 0 0 "[ . 1 . 2]" 1
432 1 31 VAL MG1 1 70 VAL H . . 4.870 4.642 4.498 4.733 . 0 0 "[ . 1 . 2]" 1
433 1 31 VAL MG1 1 70 VAL HA . . 4.080 3.617 3.475 3.653 . 0 0 "[ . 1 . 2]" 1
434 1 31 VAL MG1 1 70 VAL HB . . 4.870 4.707 4.570 4.830 . 0 0 "[ . 1 . 2]" 1
435 1 31 VAL MG1 1 70 VAL MG1 . . 3.780 3.677 3.485 3.771 . 0 0 "[ . 1 . 2]" 1
436 1 31 VAL MG1 1 70 VAL MG2 . . 3.340 1.987 1.915 2.113 . 0 0 "[ . 1 . 2]" 1
437 1 31 VAL MG1 1 71 ASP H . . 5.340 5.328 5.197 5.352 0.012 15 0 "[ . 1 . 2]" 1
438 1 31 VAL MG2 1 32 PHE H . . 4.180 4.020 3.933 4.099 . 0 0 "[ . 1 . 2]" 1
439 1 31 VAL MG2 1 46 LEU H . . 5.270 5.075 4.925 5.246 . 0 0 "[ . 1 . 2]" 1
440 1 31 VAL MG2 1 46 LEU HB3 . . 4.520 3.956 3.825 4.324 . 0 0 "[ . 1 . 2]" 1
441 1 31 VAL MG2 1 46 LEU MD1 . . 5.040 4.803 4.622 4.984 . 0 0 "[ . 1 . 2]" 1
442 1 31 VAL MG2 1 46 LEU MD2 . . 4.330 3.313 3.150 3.564 . 0 0 "[ . 1 . 2]" 1
443 1 31 VAL MG2 1 53 PHE HB2 . . 4.550 3.380 3.044 3.601 . 0 0 "[ . 1 . 2]" 1
444 1 31 VAL MG2 1 53 PHE HB3 . . 4.950 3.575 3.355 3.774 . 0 0 "[ . 1 . 2]" 1
445 1 31 VAL MG2 1 53 PHE QD . . 3.450 2.857 2.617 3.025 . 0 0 "[ . 1 . 2]" 1
446 1 31 VAL MG2 1 53 PHE QE . . 3.410 2.912 2.716 3.122 . 0 0 "[ . 1 . 2]" 1
447 1 31 VAL MG2 1 70 VAL HA . . 3.810 3.334 3.163 3.452 . 0 0 "[ . 1 . 2]" 1
448 1 31 VAL MG2 1 70 VAL HB . . 4.760 4.542 4.211 4.766 0.006 8 0 "[ . 1 . 2]" 1
449 1 31 VAL MG2 1 70 VAL MG1 . . 3.120 2.496 2.260 2.747 . 0 0 "[ . 1 . 2]" 1
450 1 31 VAL MG2 1 70 VAL MG2 . . 3.340 2.451 2.121 2.671 . 0 0 "[ . 1 . 2]" 1
451 1 31 VAL MG2 1 71 ASP H . . 4.570 4.295 4.122 4.482 . 0 0 "[ . 1 . 2]" 1
452 1 32 PHE H 1 32 PHE QB . . 3.920 2.785 2.672 2.878 . 0 0 "[ . 1 . 2]" 1
453 1 32 PHE H 1 32 PHE QD . . 3.920 2.861 2.720 3.106 . 0 0 "[ . 1 . 2]" 1
454 1 32 PHE H 1 33 ILE H . . 4.780 4.421 4.404 4.441 . 0 0 "[ . 1 . 2]" 1
455 1 32 PHE H 1 46 LEU MD2 . . 4.840 4.375 4.172 4.621 . 0 0 "[ . 1 . 2]" 1
456 1 32 PHE H 1 69 PHE QB . . 4.460 2.792 2.618 3.056 . 0 0 "[ . 1 . 2]" 1
457 1 32 PHE H 1 70 VAL MG2 . . 4.470 3.561 3.369 3.838 . 0 0 "[ . 1 . 2]" 1
458 1 32 PHE HA 1 32 PHE QE . . 4.910 4.752 4.675 4.803 . 0 0 "[ . 1 . 2]" 1
459 1 32 PHE HA 1 33 ILE H . . 3.460 2.513 2.507 2.515 . 0 0 "[ . 1 . 2]" 1
460 1 32 PHE HA 1 33 ILE HB . . 4.470 4.330 4.273 4.378 . 0 0 "[ . 1 . 2]" 1
461 1 32 PHE HA 1 45 PRO HA . . 3.330 2.678 2.486 2.902 . 0 0 "[ . 1 . 2]" 1
462 1 32 PHE HA 1 46 LEU H . . 3.490 2.507 2.307 2.624 . 0 0 "[ . 1 . 2]" 1
463 1 32 PHE HA 1 46 LEU HA . . 5.030 4.489 4.311 4.760 . 0 0 "[ . 1 . 2]" 1
464 1 32 PHE HA 1 46 LEU HB2 . . 4.430 3.088 2.835 3.332 . 0 0 "[ . 1 . 2]" 1
465 1 32 PHE HA 1 46 LEU MD1 . . 3.730 2.893 2.658 3.127 . 0 0 "[ . 1 . 2]" 1
466 1 32 PHE HA 1 55 ALA MB . . 5.500 4.936 4.627 5.146 . 0 0 "[ . 1 . 2]" 1
467 1 32 PHE QB 1 33 ILE H . . 3.640 2.228 2.200 2.251 . 0 0 "[ . 1 . 2]" 1
468 1 32 PHE QB 1 43 LYS HB2 . . 5.070 2.029 1.911 2.309 . 0 0 "[ . 1 . 2]" 1
469 1 32 PHE QB 1 43 LYS QB . . 4.470 2.016 1.900 2.291 . 0 0 "[ . 1 . 2]" 1
470 1 32 PHE QB 1 43 LYS HB3 . . 5.070 3.467 3.318 3.816 . 0 0 "[ . 1 . 2]" 1
471 1 32 PHE QB 1 43 LYS QD . . 4.700 2.398 1.945 2.833 . 0 0 "[ . 1 . 2]" 1
472 1 32 PHE QB 1 44 ILE H . . 4.860 4.029 3.696 4.504 . 0 0 "[ . 1 . 2]" 1
473 1 32 PHE QB 1 45 PRO HA . . 4.800 3.498 3.236 3.738 . 0 0 "[ . 1 . 2]" 1
474 1 32 PHE QB 1 46 LEU H . . 4.480 4.337 4.163 4.485 0.005 13 0 "[ . 1 . 2]" 1
475 1 32 PHE QB 1 69 PHE H . . 4.190 3.848 3.671 3.986 . 0 0 "[ . 1 . 2]" 1
476 1 32 PHE QB 1 69 PHE QB . . 4.840 1.984 1.944 2.219 . 0 0 "[ . 1 . 2]" 1
477 1 32 PHE QB 1 69 PHE QD . . 4.030 3.004 2.910 3.172 . 0 0 "[ . 1 . 2]" 1
478 1 32 PHE QD 1 33 ILE H . . 4.510 3.925 3.780 4.015 . 0 0 "[ . 1 . 2]" 1
479 1 32 PHE QD 1 43 LYS QB . . 3.950 3.601 3.273 3.815 . 0 0 "[ . 1 . 2]" 1
480 1 32 PHE QD 1 43 LYS HD2 . . 4.810 3.304 2.615 3.871 . 0 0 "[ . 1 . 2]" 1
481 1 32 PHE QD 1 43 LYS QD . . 4.130 2.955 2.516 3.501 . 0 0 "[ . 1 . 2]" 1
482 1 32 PHE QD 1 43 LYS HD3 . . 4.810 3.848 2.559 4.813 0.003 10 0 "[ . 1 . 2]" 1
483 1 32 PHE QD 1 43 LYS QE . . 5.340 3.761 2.708 4.634 . 0 0 "[ . 1 . 2]" 1
484 1 32 PHE QD 1 43 LYS QG . . 4.340 3.325 2.502 3.906 . 0 0 "[ . 1 . 2]" 1
485 1 32 PHE QD 1 44 ILE H . . 5.190 5.043 4.788 5.201 0.011 9 0 "[ . 1 . 2]" 1
486 1 32 PHE QD 1 45 PRO HA . . 3.520 2.061 1.996 2.387 . 0 0 "[ . 1 . 2]" 1
487 1 32 PHE QD 1 45 PRO HB2 . . 4.540 4.263 4.131 4.469 . 0 0 "[ . 1 . 2]" 1
488 1 32 PHE QD 1 45 PRO HB3 . . 4.430 3.001 2.803 3.160 . 0 0 "[ . 1 . 2]" 1
489 1 32 PHE QD 1 45 PRO HG3 . . 4.910 4.676 4.490 4.832 . 0 0 "[ . 1 . 2]" 1
490 1 32 PHE QD 1 46 LEU H . . 4.200 3.819 3.666 4.102 . 0 0 "[ . 1 . 2]" 1
491 1 32 PHE QD 1 69 PHE QB . . 4.180 2.420 2.156 2.746 . 0 0 "[ . 1 . 2]" 1
492 1 32 PHE QD 1 69 PHE QD . . 3.270 2.501 2.244 2.794 . 0 0 "[ . 1 . 2]" 1
493 1 32 PHE QD 1 70 VAL HA . . 4.430 4.152 3.929 4.376 . 0 0 "[ . 1 . 2]" 1
494 1 32 PHE QD 1 71 ASP H . . 5.030 4.869 4.742 5.005 . 0 0 "[ . 1 . 2]" 1
495 1 32 PHE QE 1 43 LYS HE2 . . 5.500 4.364 3.433 5.500 0.000 10 0 "[ . 1 . 2]" 1
496 1 32 PHE QE 1 43 LYS HE3 . . 5.500 4.962 3.301 5.506 0.006 19 0 "[ . 1 . 2]" 1
497 1 32 PHE QE 1 43 LYS QG . . 4.870 4.362 3.931 4.875 0.005 17 0 "[ . 1 . 2]" 1
498 1 32 PHE QE 1 45 PRO HA . . 4.010 3.362 3.073 3.601 . 0 0 "[ . 1 . 2]" 1
499 1 32 PHE QE 1 45 PRO HB2 . . 4.280 4.202 3.990 4.283 0.003 11 0 "[ . 1 . 2]" 1
500 1 32 PHE QE 1 45 PRO HB3 . . 4.080 2.647 2.446 2.719 . 0 0 "[ . 1 . 2]" 1
501 1 32 PHE QE 1 45 PRO HD3 . . 4.440 4.384 4.227 4.445 0.005 19 0 "[ . 1 . 2]" 1
502 1 32 PHE QE 1 45 PRO HG3 . . 4.660 4.544 4.279 4.636 . 0 0 "[ . 1 . 2]" 1
503 1 32 PHE QE 1 46 LEU H . . 5.140 4.870 4.646 5.095 . 0 0 "[ . 1 . 2]" 1
504 1 32 PHE QE 1 69 PHE QD . . 4.700 3.883 3.561 4.191 . 0 0 "[ . 1 . 2]" 1
505 1 33 ILE H 1 33 ILE HB . . 4.190 3.329 3.284 3.395 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE H 1 33 ILE MD . . 5.090 4.840 4.821 4.870 . 0 0 "[ . 1 . 2]" 1
507 1 33 ILE H 1 33 ILE HG13 . . 4.950 4.684 4.588 4.723 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE H 1 33 ILE MG . . 3.310 2.224 2.119 2.393 . 0 0 "[ . 1 . 2]" 1
509 1 33 ILE H 1 34 SER H . . 4.880 4.329 4.280 4.366 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE H 1 34 SER HA . . 5.010 4.909 4.860 4.979 . 0 0 "[ . 1 . 2]" 1
511 1 33 ILE H 1 34 SER QB . . 5.340 4.986 4.431 5.341 0.001 13 0 "[ . 1 . 2]" 1
512 1 33 ILE H 1 43 LYS QB . . 4.270 3.061 2.489 3.564 . 0 0 "[ . 1 . 2]" 1
513 1 33 ILE H 1 44 ILE H . . 4.130 3.203 2.936 3.588 . 0 0 "[ . 1 . 2]" 1
514 1 33 ILE H 1 44 ILE HA . . 5.180 4.595 4.405 4.889 . 0 0 "[ . 1 . 2]" 1
515 1 33 ILE H 1 44 ILE HB . . 4.260 3.709 3.432 4.169 . 0 0 "[ . 1 . 2]" 1
516 1 33 ILE H 1 45 PRO HA . . 4.440 4.243 3.985 4.416 . 0 0 "[ . 1 . 2]" 1
517 1 33 ILE H 1 46 LEU H . . 4.760 4.644 4.433 4.748 . 0 0 "[ . 1 . 2]" 1
518 1 33 ILE H 1 46 LEU MD1 . . 3.620 3.358 3.201 3.593 . 0 0 "[ . 1 . 2]" 1
519 1 33 ILE H 1 69 PHE QB . . 5.010 4.353 4.246 4.558 . 0 0 "[ . 1 . 2]" 1
520 1 33 ILE HA 1 33 ILE MD . . 3.900 3.683 3.526 3.734 . 0 0 "[ . 1 . 2]" 1
521 1 33 ILE HA 1 33 ILE HG12 . . 3.800 3.234 3.137 3.430 . 0 0 "[ . 1 . 2]" 1
522 1 33 ILE HA 1 33 ILE HG13 . . 3.540 2.390 2.357 2.434 . 0 0 "[ . 1 . 2]" 1
523 1 33 ILE HA 1 34 SER H . . 3.110 2.218 2.194 2.252 . 0 0 "[ . 1 . 2]" 1
524 1 33 ILE HA 1 46 LEU MD1 . . 3.940 3.696 3.529 3.868 . 0 0 "[ . 1 . 2]" 1
525 1 33 ILE HA 1 66 TYR QD . . 5.100 4.708 4.405 4.988 . 0 0 "[ . 1 . 2]" 1
526 1 33 ILE HA 1 67 LYS H . . 4.180 4.136 3.987 4.188 0.008 8 0 "[ . 1 . 2]" 1
527 1 33 ILE HA 1 68 PHE QD . . 4.160 4.042 3.757 4.169 0.009 11 0 "[ . 1 . 2]" 1
528 1 33 ILE HA 1 69 PHE H . . 4.470 3.679 3.521 3.824 . 0 0 "[ . 1 . 2]" 1
529 1 33 ILE HB 1 33 ILE MD . . 3.650 2.375 2.295 2.414 . 0 0 "[ . 1 . 2]" 1
530 1 33 ILE HB 1 34 SER H . . 4.200 4.028 3.980 4.088 . 0 0 "[ . 1 . 2]" 1
531 1 33 ILE HB 1 37 PHE HZ . . 4.800 4.747 4.606 4.823 0.023 2 0 "[ . 1 . 2]" 1
532 1 33 ILE HB 1 46 LEU MD1 . . 3.380 2.102 1.984 2.242 . 0 0 "[ . 1 . 2]" 1
533 1 33 ILE HB 1 55 ALA MB . . 4.750 3.724 3.442 3.989 . 0 0 "[ . 1 . 2]" 1
534 1 33 ILE HB 1 66 TYR QD . . 4.600 4.446 4.200 4.602 0.002 13 0 "[ . 1 . 2]" 1
535 1 33 ILE HB 1 68 PHE HA . . 4.980 4.054 3.955 4.153 . 0 0 "[ . 1 . 2]" 1
536 1 33 ILE HB 1 68 PHE QE . . 4.350 3.859 3.555 4.104 . 0 0 "[ . 1 . 2]" 1
537 1 33 ILE HB 1 69 PHE H . . 4.940 4.878 4.796 4.945 0.005 19 0 "[ . 1 . 2]" 1
538 1 33 ILE MD 1 33 ILE MG . . 3.150 2.126 1.943 2.402 . 0 0 "[ . 1 . 2]" 1
539 1 33 ILE MD 1 34 SER H . . 4.210 3.951 3.846 4.052 . 0 0 "[ . 1 . 2]" 1
540 1 33 ILE MD 1 37 PHE QE . . 4.360 3.134 3.028 3.213 . 0 0 "[ . 1 . 2]" 1
541 1 33 ILE MD 1 37 PHE HZ . . 3.930 3.184 2.947 3.359 . 0 0 "[ . 1 . 2]" 1
542 1 33 ILE MD 1 44 ILE HB . . 5.010 4.801 4.402 5.018 0.008 2 0 "[ . 1 . 2]" 1
543 1 33 ILE MD 1 46 LEU MD1 . . 3.640 2.935 2.822 3.085 . 0 0 "[ . 1 . 2]" 1
544 1 33 ILE MD 1 46 LEU MD2 . . 4.510 4.215 4.032 4.373 . 0 0 "[ . 1 . 2]" 1
545 1 33 ILE MD 1 55 ALA MB . . 3.770 3.208 2.948 3.581 . 0 0 "[ . 1 . 2]" 1
546 1 33 ILE MD 1 59 LEU MD1 . . 5.500 5.150 4.992 5.331 . 0 0 "[ . 1 . 2]" 1
547 1 33 ILE MD 1 66 TYR HA . . 4.660 4.631 4.346 4.675 0.015 2 0 "[ . 1 . 2]" 1
548 1 33 ILE MD 1 66 TYR QB . . 4.260 2.507 2.253 2.557 . 0 0 "[ . 1 . 2]" 1
549 1 33 ILE MD 1 66 TYR QD . . 3.180 2.119 1.936 2.280 . 0 0 "[ . 1 . 2]" 1
550 1 33 ILE MD 1 66 TYR QE . . 3.680 3.277 3.016 3.523 . 0 0 "[ . 1 . 2]" 1
551 1 33 ILE MD 1 67 LYS H . . 4.090 3.887 3.270 4.076 . 0 0 "[ . 1 . 2]" 1
552 1 33 ILE MD 1 67 LYS HA . . 5.450 5.242 4.752 5.377 . 0 0 "[ . 1 . 2]" 1
553 1 33 ILE MD 1 68 PHE HA . . 4.570 4.494 4.146 4.583 0.013 2 0 "[ . 1 . 2]" 1
554 1 33 ILE MD 1 68 PHE QD . . 4.270 4.034 3.848 4.230 . 0 0 "[ . 1 . 2]" 1
555 1 33 ILE MD 1 68 PHE QE . . 3.680 3.288 3.046 3.510 . 0 0 "[ . 1 . 2]" 1
556 1 33 ILE MD 1 68 PHE HZ . . 4.230 4.117 3.963 4.222 . 0 0 "[ . 1 . 2]" 1
557 1 33 ILE HG12 1 34 SER H . . 3.510 2.774 2.538 3.126 . 0 0 "[ . 1 . 2]" 1
558 1 33 ILE HG12 1 37 PHE HZ . . 3.880 2.009 1.985 2.034 . 0 0 "[ . 1 . 2]" 1
559 1 33 ILE HG12 1 66 TYR QD . . 5.220 3.611 3.374 3.920 . 0 0 "[ . 1 . 2]" 1
560 1 33 ILE HG12 1 67 LYS H . . 4.170 3.757 3.596 3.945 . 0 0 "[ . 1 . 2]" 1
561 1 33 ILE HG13 1 34 SER H . . 3.540 2.392 2.183 2.538 . 0 0 "[ . 1 . 2]" 1
562 1 33 ILE HG13 1 37 PHE QE . . 4.360 3.940 3.769 4.151 . 0 0 "[ . 1 . 2]" 1
563 1 33 ILE HG13 1 37 PHE HZ . . 4.260 3.699 3.610 3.748 . 0 0 "[ . 1 . 2]" 1
564 1 33 ILE HG13 1 46 LEU MD1 . . 4.330 4.123 3.968 4.328 . 0 0 "[ . 1 . 2]" 1
565 1 33 ILE HG13 1 66 TYR QD . . 3.970 2.565 2.317 3.040 . 0 0 "[ . 1 . 2]" 1
566 1 33 ILE HG13 1 67 LYS H . . 4.210 2.901 2.498 3.070 . 0 0 "[ . 1 . 2]" 1
567 1 33 ILE HG13 1 68 PHE HA . . 4.980 3.836 3.686 4.036 . 0 0 "[ . 1 . 2]" 1
568 1 33 ILE HG13 1 68 PHE QD . . 4.840 4.441 4.146 4.827 . 0 0 "[ . 1 . 2]" 1
569 1 33 ILE HG13 1 69 PHE H . . 5.500 5.463 5.382 5.518 0.018 11 0 "[ . 1 . 2]" 1
570 1 33 ILE MG 1 37 PHE QD . . 5.500 5.222 4.975 5.365 . 0 0 "[ . 1 . 2]" 1
571 1 33 ILE MG 1 37 PHE QE . . 4.660 3.476 3.274 3.593 . 0 0 "[ . 1 . 2]" 1
572 1 33 ILE MG 1 37 PHE HZ . . 3.520 2.622 2.361 2.867 . 0 0 "[ . 1 . 2]" 1
573 1 33 ILE MG 1 44 ILE H . . 4.280 2.971 2.550 3.415 . 0 0 "[ . 1 . 2]" 1
574 1 33 ILE MG 1 44 ILE HB . . 3.860 2.127 1.931 2.373 . 0 0 "[ . 1 . 2]" 1
575 1 33 ILE MG 1 46 LEU MD1 . . 2.660 2.147 1.938 2.315 . 0 0 "[ . 1 . 2]" 1
576 1 33 ILE MG 1 55 ALA MB . . 3.290 2.548 2.317 2.784 . 0 0 "[ . 1 . 2]" 1
577 1 33 ILE MG 1 57 LEU MD1 . . 3.760 2.883 2.391 3.106 . 0 0 "[ . 1 . 2]" 1
578 1 33 ILE MG 1 57 LEU MD2 . . 3.410 2.213 1.930 2.506 . 0 0 "[ . 1 . 2]" 1
579 1 33 ILE MG 1 67 LYS H . . 5.490 5.295 5.134 5.466 . 0 0 "[ . 1 . 2]" 1
580 1 33 ILE MG 1 68 PHE QD . . 5.070 5.022 4.846 5.083 0.013 11 0 "[ . 1 . 2]" 1
581 1 34 SER H 1 34 SER QB . . 3.600 2.873 2.649 3.020 . 0 0 "[ . 1 . 2]" 1
582 1 34 SER H 1 66 TYR HA . . 4.520 4.326 4.139 4.411 . 0 0 "[ . 1 . 2]" 1
583 1 34 SER H 1 67 LYS H . . 3.610 2.624 2.443 2.879 . 0 0 "[ . 1 . 2]" 1
584 1 34 SER H 1 69 PHE H . . 5.500 5.377 5.165 5.507 0.007 9 0 "[ . 1 . 2]" 1
585 1 34 SER HA 1 37 PHE QE . . 4.340 3.614 3.273 4.081 . 0 0 "[ . 1 . 2]" 1
586 1 34 SER HA 1 37 PHE HZ . . 4.290 2.887 2.350 3.548 . 0 0 "[ . 1 . 2]" 1
587 1 34 SER HA 1 40 TRP H . . 5.180 5.080 4.948 5.191 0.011 13 0 "[ . 1 . 2]" 1
588 1 34 SER HA 1 44 ILE H . . 5.030 3.841 3.627 4.094 . 0 0 "[ . 1 . 2]" 1
589 1 34 SER HA 1 44 ILE MD . . 4.420 4.043 3.672 4.404 . 0 0 "[ . 1 . 2]" 1
590 1 34 SER QB 1 35 GLY H . . 4.260 3.037 2.847 3.517 . 0 0 "[ . 1 . 2]" 1
591 1 34 SER QB 1 40 TRP HE3 . . 3.510 2.983 2.542 3.510 0.000 17 0 "[ . 1 . 2]" 1
592 1 34 SER QB 1 40 TRP HZ3 . . 4.490 3.919 3.333 4.492 0.002 16 0 "[ . 1 . 2]" 1
593 1 34 SER QB 1 44 ILE H . . 5.340 4.587 4.027 4.940 . 0 0 "[ . 1 . 2]" 1
594 1 34 SER QB 1 67 LYS H . . 5.340 4.347 4.133 4.685 . 0 0 "[ . 1 . 2]" 1
595 1 34 SER QB 1 74 TRP HH2 . . 4.950 4.779 4.225 5.008 0.058 11 0 "[ . 1 . 2]" 1
596 1 34 SER QB 1 74 TRP HZ3 . . 4.610 4.209 3.418 4.676 0.066 11 0 "[ . 1 . 2]" 1
597 1 34 SER HB2 1 40 TRP HE3 . . 4.320 3.605 2.880 4.318 . 0 0 "[ . 1 . 2]" 1
598 1 34 SER HB2 1 40 TRP HZ3 . . 5.110 4.446 3.678 5.115 0.005 2 0 "[ . 1 . 2]" 1
599 1 34 SER HB3 1 40 TRP HE3 . . 4.320 3.449 2.570 4.334 0.014 17 0 "[ . 1 . 2]" 1
600 1 34 SER HB3 1 40 TRP HZ3 . . 5.110 4.739 3.379 5.115 0.005 1 0 "[ . 1 . 2]" 1
601 1 35 GLY H 1 36 SER H . . 5.130 4.348 4.304 4.385 . 0 0 "[ . 1 . 2]" 1
602 1 35 GLY H 1 37 PHE H . . 4.360 4.017 3.903 4.210 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLY H 1 38 ASN H . . 4.060 3.328 3.074 3.565 . 0 0 "[ . 1 . 2]" 1
604 1 35 GLY H 1 40 TRP H . . 3.690 3.449 3.247 3.604 . 0 0 "[ . 1 . 2]" 1
605 1 35 GLY H 1 40 TRP HA . . 4.280 3.330 3.009 3.542 . 0 0 "[ . 1 . 2]" 1
606 1 35 GLY H 1 66 TYR HA . . 4.600 4.165 4.106 4.433 . 0 0 "[ . 1 . 2]" 1
607 1 35 GLY H 1 67 LYS H . . 5.230 4.947 4.803 5.282 0.052 2 0 "[ . 1 . 2]" 1
608 1 35 GLY HA2 1 36 SER H . . 3.400 2.697 2.598 2.794 . 0 0 "[ . 1 . 2]" 1
609 1 35 GLY HA2 1 37 PHE H . . 4.430 4.174 4.102 4.280 . 0 0 "[ . 1 . 2]" 1
610 1 35 GLY HA2 1 38 ASN H . . 5.030 4.812 4.658 4.929 . 0 0 "[ . 1 . 2]" 1
611 1 35 GLY HA2 1 40 TRP H . . 5.240 4.613 4.407 4.792 . 0 0 "[ . 1 . 2]" 1
612 1 35 GLY HA2 1 40 TRP HH2 . . 4.190 3.216 3.128 3.313 . 0 0 "[ . 1 . 2]" 1
613 1 35 GLY HA2 1 66 TYR H . . 4.840 4.624 4.422 4.872 0.032 2 0 "[ . 1 . 2]" 1
614 1 35 GLY HA2 1 66 TYR HA . . 4.320 2.510 2.339 2.703 . 0 0 "[ . 1 . 2]" 1
615 1 35 GLY HA2 1 67 LYS H . . 4.570 4.124 3.929 4.383 . 0 0 "[ . 1 . 2]" 1
616 1 35 GLY HA3 1 36 SER H . . 3.230 2.436 2.355 2.529 . 0 0 "[ . 1 . 2]" 1
617 1 35 GLY HA3 1 37 PHE H . . 3.710 3.058 3.009 3.124 . 0 0 "[ . 1 . 2]" 1
618 1 35 GLY HA3 1 37 PHE QD . . 4.420 2.891 2.754 3.098 . 0 0 "[ . 1 . 2]" 1
619 1 35 GLY HA3 1 37 PHE HZ . . 4.830 4.271 4.007 4.559 . 0 0 "[ . 1 . 2]" 1
620 1 35 GLY HA3 1 40 TRP HH2 . . 5.290 4.395 4.254 4.511 . 0 0 "[ . 1 . 2]" 1
621 1 35 GLY HA3 1 66 TYR H . . 4.610 4.351 4.230 4.614 0.004 2 0 "[ . 1 . 2]" 1
622 1 35 GLY HA3 1 66 TYR HA . . 3.710 2.078 1.993 2.435 . 0 0 "[ . 1 . 2]" 1
623 1 35 GLY HA3 1 67 LYS H . . 4.400 4.050 3.929 4.351 . 0 0 "[ . 1 . 2]" 1
624 1 36 SER H 1 36 SER HB2 . . 3.670 2.812 2.187 3.599 . 0 0 "[ . 1 . 2]" 1
625 1 36 SER H 1 36 SER HB3 . . 3.670 2.787 2.375 3.551 . 0 0 "[ . 1 . 2]" 1
626 1 36 SER H 1 37 PHE H . . 3.200 2.580 2.482 2.631 . 0 0 "[ . 1 . 2]" 1
627 1 36 SER H 1 37 PHE HA . . 5.340 5.116 5.049 5.184 . 0 0 "[ . 1 . 2]" 1
628 1 36 SER H 1 37 PHE HB3 . . 5.040 4.840 4.736 4.913 . 0 0 "[ . 1 . 2]" 1
629 1 36 SER H 1 37 PHE QD . . 3.930 3.645 3.533 3.760 . 0 0 "[ . 1 . 2]" 1
630 1 36 SER H 1 37 PHE QE . . 4.720 4.636 4.536 4.718 . 0 0 "[ . 1 . 2]" 1
631 1 36 SER H 1 38 ASN H . . 4.310 4.264 4.154 4.308 . 0 0 "[ . 1 . 2]" 1
632 1 36 SER H 1 40 TRP H . . 5.190 5.068 4.974 5.124 . 0 0 "[ . 1 . 2]" 1
633 1 36 SER H 1 40 TRP HE1 . . 4.270 3.204 3.115 3.369 . 0 0 "[ . 1 . 2]" 1
634 1 36 SER H 1 40 TRP HZ2 . . 3.880 2.944 2.800 3.082 . 0 0 "[ . 1 . 2]" 1
635 1 36 SER H 1 64 HIS HA . . 5.380 5.268 5.117 5.383 0.003 9 0 "[ . 1 . 2]" 1
636 1 36 SER H 1 65 GLN H . . 3.700 3.266 3.088 3.370 . 0 0 "[ . 1 . 2]" 1
637 1 36 SER H 1 65 GLN HB2 . . 4.180 2.911 2.603 3.187 . 0 0 "[ . 1 . 2]" 1
638 1 36 SER H 1 65 GLN HB3 . . 4.250 3.637 3.300 3.932 . 0 0 "[ . 1 . 2]" 1
639 1 36 SER H 1 65 GLN QG . . 5.340 4.678 4.397 4.913 . 0 0 "[ . 1 . 2]" 1
640 1 36 SER H 1 66 TYR HA . . 4.130 3.781 3.686 4.012 . 0 0 "[ . 1 . 2]" 1
641 1 36 SER H 1 66 TYR QB . . 4.740 4.514 4.434 4.603 . 0 0 "[ . 1 . 2]" 1
642 1 36 SER HA 1 38 ASN H . . 3.860 3.620 3.445 3.787 . 0 0 "[ . 1 . 2]" 1
643 1 36 SER HA 1 39 ASN H . . 3.710 3.100 3.029 3.163 . 0 0 "[ . 1 . 2]" 1
644 1 36 SER HA 1 39 ASN HA . . 4.180 3.225 3.153 3.279 . 0 0 "[ . 1 . 2]" 1
645 1 36 SER HA 1 40 TRP H . . 3.800 3.622 3.517 3.797 . 0 0 "[ . 1 . 2]" 1
646 1 36 SER HA 1 40 TRP HD1 . . 3.650 2.782 2.653 2.887 . 0 0 "[ . 1 . 2]" 1
647 1 36 SER HA 1 40 TRP HE1 . . 3.360 2.163 2.082 2.303 . 0 0 "[ . 1 . 2]" 1
648 1 36 SER HA 1 65 GLN H . . 5.470 5.246 5.123 5.362 . 0 0 "[ . 1 . 2]" 1
649 1 36 SER QB 1 38 ASN H . . 5.150 4.723 4.469 4.870 . 0 0 "[ . 1 . 2]" 1
650 1 36 SER QB 1 39 ASN H . . 4.880 4.605 4.382 4.828 . 0 0 "[ . 1 . 2]" 1
651 1 36 SER QB 1 40 TRP HE1 . . 3.360 2.434 2.068 3.193 . 0 0 "[ . 1 . 2]" 1
652 1 36 SER QB 1 65 GLN H . . 3.730 2.736 2.316 3.496 . 0 0 "[ . 1 . 2]" 1
653 1 36 SER HB2 1 37 PHE H . . 4.300 3.961 3.291 4.289 . 0 0 "[ . 1 . 2]" 1
654 1 36 SER HB2 1 40 TRP HE1 . . 3.880 2.897 2.174 3.602 . 0 0 "[ . 1 . 2]" 1
655 1 36 SER HB2 1 65 GLN H . . 4.240 3.476 2.356 4.244 0.004 17 0 "[ . 1 . 2]" 1
656 1 36 SER HB3 1 37 PHE H . . 4.300 3.695 3.165 4.303 0.003 17 0 "[ . 1 . 2]" 1
657 1 36 SER HB3 1 40 TRP HE1 . . 3.880 3.248 2.090 3.843 . 0 0 "[ . 1 . 2]" 1
658 1 36 SER HB3 1 65 GLN H . . 4.240 3.214 2.349 4.108 . 0 0 "[ . 1 . 2]" 1
659 1 37 PHE H 1 37 PHE HB2 . . 3.740 3.601 3.596 3.604 . 0 0 "[ . 1 . 2]" 1
660 1 37 PHE H 1 37 PHE HB3 . . 3.380 2.628 2.580 2.671 . 0 0 "[ . 1 . 2]" 1
661 1 37 PHE H 1 37 PHE QD . . 3.000 2.338 2.234 2.479 . 0 0 "[ . 1 . 2]" 1
662 1 37 PHE H 1 39 ASN H . . 4.260 3.933 3.853 3.992 . 0 0 "[ . 1 . 2]" 1
663 1 37 PHE H 1 40 TRP H . . 4.800 4.751 4.607 4.821 0.021 11 0 "[ . 1 . 2]" 1
664 1 37 PHE H 1 40 TRP HE1 . . 5.060 4.986 4.906 5.066 0.006 14 0 "[ . 1 . 2]" 1
665 1 37 PHE H 1 59 LEU MD1 . . 5.320 5.175 5.025 5.343 0.023 11 0 "[ . 1 . 2]" 1
666 1 37 PHE H 1 59 LEU MD2 . . 4.570 4.415 4.297 4.573 0.003 19 0 "[ . 1 . 2]" 1
667 1 37 PHE H 1 64 HIS HA . . 5.500 5.513 5.503 5.531 0.031 1 0 "[ . 1 . 2]" 1
668 1 37 PHE H 1 65 GLN H . . 4.450 4.309 3.961 4.464 0.014 2 0 "[ . 1 . 2]" 1
669 1 37 PHE H 1 66 TYR HA . . 5.360 4.962 4.867 5.341 . 0 0 "[ . 1 . 2]" 1
670 1 37 PHE H 1 94 ILE MG . . 5.500 5.492 5.382 5.511 0.011 15 0 "[ . 1 . 2]" 1
671 1 37 PHE HA 1 37 PHE QD . . 3.930 3.725 3.719 3.728 . 0 0 "[ . 1 . 2]" 1
672 1 37 PHE HA 1 39 ASN H . . 4.160 4.023 3.960 4.086 . 0 0 "[ . 1 . 2]" 1
673 1 37 PHE HA 1 59 LEU MD2 . . 3.960 3.642 3.508 3.799 . 0 0 "[ . 1 . 2]" 1
674 1 37 PHE HB2 1 59 LEU MD1 . . 4.680 3.842 3.663 4.098 . 0 0 "[ . 1 . 2]" 1
675 1 37 PHE HB2 1 59 LEU MD2 . . 3.990 2.010 1.919 2.110 . 0 0 "[ . 1 . 2]" 1
676 1 37 PHE HB3 1 59 LEU MD2 . . 4.130 2.284 2.031 2.514 . 0 0 "[ . 1 . 2]" 1
677 1 37 PHE QD 1 38 ASN H . . 3.620 3.371 3.212 3.545 . 0 0 "[ . 1 . 2]" 1
678 1 37 PHE QD 1 38 ASN HA . . 3.840 3.661 3.516 3.793 . 0 0 "[ . 1 . 2]" 1
679 1 37 PHE QD 1 38 ASN HB2 . . 4.710 3.236 2.426 4.208 . 0 0 "[ . 1 . 2]" 1
680 1 37 PHE QD 1 38 ASN QB . . 4.010 2.490 2.231 2.771 . 0 0 "[ . 1 . 2]" 1
681 1 37 PHE QD 1 38 ASN HB3 . . 4.710 3.398 2.244 4.432 . 0 0 "[ . 1 . 2]" 1
682 1 37 PHE QD 1 39 ASN H . . 5.120 5.017 4.918 5.117 . 0 0 "[ . 1 . 2]" 1
683 1 37 PHE QD 1 44 ILE MD . . 3.950 3.675 3.434 3.939 . 0 0 "[ . 1 . 2]" 1
684 1 37 PHE QD 1 57 LEU MD1 . . 3.950 3.324 3.130 3.735 . 0 0 "[ . 1 . 2]" 1
685 1 37 PHE QD 1 57 LEU MD2 . . 3.920 3.255 3.017 3.595 . 0 0 "[ . 1 . 2]" 1
686 1 37 PHE QD 1 59 LEU MD1 . . 3.840 3.639 3.347 3.838 . 0 0 "[ . 1 . 2]" 1
687 1 37 PHE QD 1 59 LEU MD2 . . 3.330 2.997 2.838 3.161 . 0 0 "[ . 1 . 2]" 1
688 1 37 PHE QD 1 64 HIS HA . . 5.500 5.443 5.251 5.509 0.009 9 0 "[ . 1 . 2]" 1
689 1 37 PHE QD 1 64 HIS HB2 . . 4.810 3.742 3.476 3.919 . 0 0 "[ . 1 . 2]" 1
690 1 37 PHE QE 1 38 ASN H . . 4.640 4.301 4.185 4.532 . 0 0 "[ . 1 . 2]" 1
691 1 37 PHE QE 1 38 ASN HA . . 5.100 4.910 4.774 5.088 . 0 0 "[ . 1 . 2]" 1
692 1 37 PHE QE 1 38 ASN QB . . 4.280 2.574 2.436 2.801 . 0 0 "[ . 1 . 2]" 1
693 1 37 PHE QE 1 44 ILE MD . . 3.000 2.177 1.966 2.406 . 0 0 "[ . 1 . 2]" 1
694 1 37 PHE QE 1 57 LEU MD1 . . 3.650 2.784 2.587 3.080 . 0 0 "[ . 1 . 2]" 1
695 1 37 PHE QE 1 57 LEU MD2 . . 3.520 2.251 2.092 2.565 . 0 0 "[ . 1 . 2]" 1
696 1 37 PHE QE 1 59 LEU MD1 . . 5.020 4.733 4.503 5.001 . 0 0 "[ . 1 . 2]" 1
697 1 37 PHE QE 1 59 LEU MD2 . . 4.560 4.174 3.934 4.422 . 0 0 "[ . 1 . 2]" 1
698 1 37 PHE QE 1 66 TYR HA . . 3.750 2.992 2.723 3.324 . 0 0 "[ . 1 . 2]" 1
699 1 37 PHE QE 1 66 TYR QB . . 3.550 1.985 1.922 2.048 . 0 0 "[ . 1 . 2]" 1
700 1 37 PHE QE 1 66 TYR QD . . 4.050 3.981 3.885 4.066 0.016 11 0 "[ . 1 . 2]" 1
701 1 37 PHE QE 1 67 LYS H . . 4.290 3.879 3.586 4.234 . 0 0 "[ . 1 . 2]" 1
702 1 37 PHE HZ 1 44 ILE HB . . 4.680 4.209 3.946 4.388 . 0 0 "[ . 1 . 2]" 1
703 1 37 PHE HZ 1 44 ILE MD . . 3.830 3.614 3.309 3.840 0.010 17 0 "[ . 1 . 2]" 1
704 1 37 PHE HZ 1 57 LEU MD1 . . 3.730 2.743 2.340 3.104 . 0 0 "[ . 1 . 2]" 1
705 1 37 PHE HZ 1 57 LEU MD2 . . 4.120 2.564 2.164 3.238 . 0 0 "[ . 1 . 2]" 1
706 1 37 PHE HZ 1 66 TYR QB . . 4.220 3.661 3.532 3.756 . 0 0 "[ . 1 . 2]" 1
707 1 37 PHE HZ 1 66 TYR QD . . 5.170 5.063 4.926 5.182 0.012 11 0 "[ . 1 . 2]" 1
708 1 38 ASN H 1 38 ASN HB2 . . 3.880 3.258 2.680 3.845 . 0 0 "[ . 1 . 2]" 1
709 1 38 ASN H 1 38 ASN QB . . 3.330 2.698 2.509 3.014 . 0 0 "[ . 1 . 2]" 1
710 1 38 ASN H 1 38 ASN HB3 . . 3.880 2.971 2.767 3.253 . 0 0 "[ . 1 . 2]" 1
711 1 38 ASN H 1 38 ASN QD . . 4.990 4.406 3.781 4.863 . 0 0 "[ . 1 . 2]" 1
712 1 38 ASN H 1 39 ASN H . . 2.790 2.187 2.048 2.243 . 0 0 "[ . 1 . 2]" 1
713 1 38 ASN H 1 39 ASN HB2 . . 5.030 5.010 4.855 5.036 0.006 4 0 "[ . 1 . 2]" 1
714 1 38 ASN H 1 40 TRP H . . 3.290 2.956 2.867 3.029 . 0 0 "[ . 1 . 2]" 1
715 1 38 ASN H 1 40 TRP HA . . 4.950 4.732 4.620 4.802 . 0 0 "[ . 1 . 2]" 1
716 1 38 ASN H 1 41 SER H . . 5.200 5.040 4.918 5.126 . 0 0 "[ . 1 . 2]" 1
717 1 38 ASN H 1 44 ILE MD . . 5.500 5.366 5.168 5.507 0.007 19 0 "[ . 1 . 2]" 1
718 1 38 ASN H 1 59 LEU MD2 . . 5.410 5.236 5.093 5.379 . 0 0 "[ . 1 . 2]" 1
719 1 38 ASN HA 1 40 TRP H . . 4.530 4.318 4.300 4.338 . 0 0 "[ . 1 . 2]" 1
720 1 38 ASN QB 1 39 ASN H . . 4.420 3.786 3.602 4.005 . 0 0 "[ . 1 . 2]" 1
721 1 38 ASN QB 1 40 TRP H . . 5.010 3.367 2.875 3.958 . 0 0 "[ . 1 . 2]" 1
722 1 38 ASN QB 1 42 THR H . . 4.720 3.794 3.293 4.105 . 0 0 "[ . 1 . 2]" 1
723 1 38 ASN HB2 1 42 THR H . . 5.500 4.648 3.349 5.488 . 0 0 "[ . 1 . 2]" 1
724 1 38 ASN HB3 1 42 THR H . . 5.500 4.544 3.736 5.499 . 0 0 "[ . 1 . 2]" 1
725 1 38 ASN QD 1 41 SER H . . 5.290 2.629 1.849 4.302 . 0 0 "[ . 1 . 2]" 1
726 1 38 ASN QD 1 42 THR MG . . 4.340 3.117 1.845 4.301 . 0 0 "[ . 1 . 2]" 1
727 1 38 ASN QD 1 44 ILE MD . . 4.270 3.430 2.055 4.062 . 0 0 "[ . 1 . 2]" 1
728 1 38 ASN HD21 1 42 THR H . . 3.820 2.327 1.894 3.767 . 0 0 "[ . 1 . 2]" 1
729 1 38 ASN HD22 1 42 THR H . . 3.820 2.910 2.263 3.824 0.004 9 0 "[ . 1 . 2]" 1
730 1 39 ASN H 1 39 ASN HA . . 2.740 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
731 1 39 ASN H 1 39 ASN HB2 . . 3.560 3.063 3.043 3.199 . 0 0 "[ . 1 . 2]" 1
732 1 39 ASN H 1 39 ASN HB3 . . 4.140 3.840 3.777 4.073 . 0 0 "[ . 1 . 2]" 1
733 1 39 ASN H 1 40 TRP H . . 3.310 2.645 2.624 2.654 . 0 0 "[ . 1 . 2]" 1
734 1 39 ASN H 1 40 TRP HA . . 5.070 4.918 4.894 4.927 . 0 0 "[ . 1 . 2]" 1
735 1 39 ASN H 1 40 TRP HD1 . . 4.180 4.045 3.962 4.147 . 0 0 "[ . 1 . 2]" 1
736 1 39 ASN H 1 40 TRP HE1 . . 5.190 5.056 4.933 5.198 0.008 17 0 "[ . 1 . 2]" 1
737 1 39 ASN HA 1 39 ASN HD21 . . 4.540 4.077 2.258 4.386 . 0 0 "[ . 1 . 2]" 1
738 1 39 ASN HA 1 39 ASN QD . . 3.970 3.722 2.225 3.967 . 0 0 "[ . 1 . 2]" 1
739 1 39 ASN HA 1 39 ASN HD22 . . 4.540 4.327 3.351 4.529 . 0 0 "[ . 1 . 2]" 1
740 1 39 ASN HA 1 40 TRP H . . 3.250 3.051 3.035 3.073 . 0 0 "[ . 1 . 2]" 1
741 1 39 ASN HA 1 40 TRP HD1 . . 3.320 2.691 2.596 2.833 . 0 0 "[ . 1 . 2]" 1
742 1 39 ASN HB2 1 39 ASN QD . . 3.240 2.715 2.103 3.333 0.093 11 0 "[ . 1 . 2]" 1
743 1 39 ASN HB2 1 39 ASN HD22 . . 3.990 3.734 3.437 4.086 0.096 11 0 "[ . 1 . 2]" 1
744 1 39 ASN HB2 1 40 TRP H . . 4.520 4.341 4.060 4.400 . 0 0 "[ . 1 . 2]" 1
745 1 39 ASN HB2 1 41 SER H . . 5.140 4.395 3.703 4.523 . 0 0 "[ . 1 . 2]" 1
746 1 39 ASN HB2 1 41 SER QB . . 4.320 4.029 3.397 4.205 . 0 0 "[ . 1 . 2]" 1
747 1 39 ASN HB3 1 39 ASN QD . . 3.310 2.419 2.097 3.031 . 0 0 "[ . 1 . 2]" 1
748 1 39 ASN HB3 1 39 ASN HD22 . . 3.910 3.583 3.435 3.895 . 0 0 "[ . 1 . 2]" 1
749 1 39 ASN HB3 1 41 SER H . . 4.560 3.187 3.138 3.443 . 0 0 "[ . 1 . 2]" 1
750 1 39 ASN HB3 1 41 SER QB . . 4.420 2.675 2.508 2.853 . 0 0 "[ . 1 . 2]" 1
751 1 39 ASN HB3 1 42 THR H . . 5.500 5.203 4.897 5.510 0.010 1 0 "[ . 1 . 2]" 1
752 1 40 TRP H 1 40 TRP QB . . 3.550 3.348 3.336 3.358 . 0 0 "[ . 1 . 2]" 1
753 1 40 TRP H 1 40 TRP HD1 . . 3.900 3.202 3.130 3.314 . 0 0 "[ . 1 . 2]" 1
754 1 40 TRP H 1 40 TRP HE1 . . 4.890 4.710 4.665 4.834 . 0 0 "[ . 1 . 2]" 1
755 1 40 TRP H 1 41 SER H . . 3.480 2.763 2.706 2.775 . 0 0 "[ . 1 . 2]" 1
756 1 40 TRP H 1 41 SER QB . . 4.690 4.523 4.474 4.702 0.012 8 0 "[ . 1 . 2]" 1
757 1 40 TRP H 1 42 THR H . . 5.240 5.114 4.584 5.242 0.002 12 0 "[ . 1 . 2]" 1
758 1 40 TRP HA 1 40 TRP HE3 . . 3.990 3.425 3.323 3.503 . 0 0 "[ . 1 . 2]" 1
759 1 40 TRP QB 1 40 TRP HE1 . . 4.570 4.461 4.452 4.467 . 0 0 "[ . 1 . 2]" 1
760 1 40 TRP HB2 1 40 TRP HE3 . . 4.130 4.040 4.017 4.069 . 0 0 "[ . 1 . 2]" 1
761 1 40 TRP HB3 1 40 TRP HE3 . . 4.130 2.483 2.462 2.511 . 0 0 "[ . 1 . 2]" 1
762 1 40 TRP HE1 1 65 GLN H . . 5.470 5.455 5.340 5.479 0.009 18 0 "[ . 1 . 2]" 1
763 1 40 TRP HE1 1 65 GLN HB2 . . 4.640 4.130 3.939 4.311 . 0 0 "[ . 1 . 2]" 1
764 1 40 TRP HE1 1 65 GLN HB3 . . 5.060 4.914 4.547 5.068 0.008 17 0 "[ . 1 . 2]" 1
765 1 40 TRP HE3 1 74 TRP HZ3 . . 4.470 4.319 3.891 4.472 0.002 13 0 "[ . 1 . 2]" 1
766 1 40 TRP HH2 1 65 GLN HB2 . . 5.070 4.233 3.981 4.449 . 0 0 "[ . 1 . 2]" 1
767 1 40 TRP HH2 1 65 GLN HB3 . . 4.160 2.942 2.780 3.115 . 0 0 "[ . 1 . 2]" 1
768 1 40 TRP HH2 1 65 GLN HE22 . . 4.840 4.597 3.295 4.847 0.007 15 0 "[ . 1 . 2]" 1
769 1 40 TRP HH2 1 66 TYR HA . . 3.730 3.511 3.195 3.682 . 0 0 "[ . 1 . 2]" 1
770 1 40 TRP HH2 1 67 LYS QB . . 4.200 3.411 3.026 3.890 . 0 0 "[ . 1 . 2]" 1
771 1 40 TRP HZ2 1 65 GLN H . . 4.790 4.587 4.412 4.699 . 0 0 "[ . 1 . 2]" 1
772 1 40 TRP HZ2 1 65 GLN HA . . 4.880 4.823 4.683 4.889 0.009 17 0 "[ . 1 . 2]" 1
773 1 40 TRP HZ2 1 65 GLN HB2 . . 3.570 2.566 2.296 2.708 . 0 0 "[ . 1 . 2]" 1
774 1 40 TRP HZ2 1 65 GLN HB3 . . 3.450 2.392 2.067 2.565 . 0 0 "[ . 1 . 2]" 1
775 1 40 TRP HZ2 1 65 GLN QG . . 5.020 3.666 3.398 4.057 . 0 0 "[ . 1 . 2]" 1
776 1 40 TRP HZ2 1 66 TYR H . . 4.590 4.440 4.311 4.590 . 0 0 "[ . 1 . 2]" 1
777 1 40 TRP HZ2 1 66 TYR HA . . 4.520 4.378 4.219 4.524 0.004 11 0 "[ . 1 . 2]" 1
778 1 40 TRP HZ2 1 91 ASN HD21 . . 5.010 4.292 3.722 4.569 . 0 0 "[ . 1 . 2]" 1
779 1 40 TRP HZ3 1 65 GLN HB3 . . 5.500 5.308 5.101 5.504 0.004 17 0 "[ . 1 . 2]" 1
780 1 40 TRP HZ3 1 66 TYR H . . 5.500 5.462 5.312 5.514 0.014 1 0 "[ . 1 . 2]" 1
781 1 40 TRP HZ3 1 66 TYR HA . . 4.220 4.176 3.897 4.232 0.012 9 0 "[ . 1 . 2]" 1
782 1 40 TRP HZ3 1 67 LYS HB2 . . 4.440 2.906 2.104 4.455 0.015 2 0 "[ . 1 . 2]" 1
783 1 40 TRP HZ3 1 67 LYS QB . . 3.840 2.477 2.091 3.012 . 0 0 "[ . 1 . 2]" 1
784 1 40 TRP HZ3 1 67 LYS HB3 . . 4.440 3.222 2.651 3.939 . 0 0 "[ . 1 . 2]" 1
785 1 40 TRP HZ3 1 74 TRP HE3 . . 5.500 5.338 5.101 5.505 0.005 14 0 "[ . 1 . 2]" 1
786 1 40 TRP HZ3 1 74 TRP HZ3 . . 4.060 3.823 3.181 4.072 0.012 1 0 "[ . 1 . 2]" 1
787 1 41 SER H 1 41 SER QB . . 3.530 2.280 2.175 2.465 . 0 0 "[ . 1 . 2]" 1
788 1 41 SER H 1 42 THR H . . 3.390 2.766 2.405 2.902 . 0 0 "[ . 1 . 2]" 1
789 1 41 SER H 1 42 THR MG . . 5.330 4.539 3.899 5.129 . 0 0 "[ . 1 . 2]" 1
790 1 41 SER QB 1 42 THR H . . 3.580 2.174 1.936 3.309 . 0 0 "[ . 1 . 2]" 1
791 1 41 SER QB 1 42 THR MG . . 4.060 3.143 2.521 4.019 . 0 0 "[ . 1 . 2]" 1
792 1 42 THR H 1 42 THR MG . . 3.360 2.405 1.903 2.966 . 0 0 "[ . 1 . 2]" 1
793 1 42 THR H 1 44 ILE MD . . 5.400 4.994 4.454 5.407 0.007 14 0 "[ . 1 . 2]" 1
794 1 42 THR HA 1 42 THR MG . . 3.300 2.727 2.163 3.207 . 0 0 "[ . 1 . 2]" 1
795 1 43 LYS HA 1 43 LYS HD2 . . 5.430 5.090 4.544 5.456 0.026 17 0 "[ . 1 . 2]" 1
796 1 43 LYS HA 1 43 LYS QD . . 4.660 4.244 4.177 4.333 . 0 0 "[ . 1 . 2]" 1
797 1 43 LYS HA 1 43 LYS HD3 . . 5.430 4.578 4.428 5.148 . 0 0 "[ . 1 . 2]" 1
798 1 43 LYS HA 1 44 ILE MD . . 5.110 3.971 3.210 5.005 . 0 0 "[ . 1 . 2]" 1
799 1 43 LYS QD 1 69 PHE QE . . 4.550 3.728 3.060 4.557 0.007 17 0 "[ . 1 . 2]" 1
800 1 43 LYS HD2 1 69 PHE QD . . 4.230 3.236 2.091 4.265 0.035 17 0 "[ . 1 . 2]" 1
801 1 43 LYS HD3 1 69 PHE QD . . 4.230 3.259 2.287 4.023 . 0 0 "[ . 1 . 2]" 1
802 1 43 LYS QE 1 69 PHE QD . . 4.060 2.781 1.972 3.789 . 0 0 "[ . 1 . 2]" 1
803 1 43 LYS QE 1 69 PHE QE . . 3.850 2.807 2.052 3.407 . 0 0 "[ . 1 . 2]" 1
804 1 43 LYS QE 1 69 PHE HZ . . 5.340 4.739 4.003 5.336 . 0 0 "[ . 1 . 2]" 1
805 1 44 ILE H 1 44 ILE HB . . 3.920 2.299 2.280 2.317 . 0 0 "[ . 1 . 2]" 1
806 1 44 ILE H 1 44 ILE MD . . 3.830 2.595 1.933 3.448 . 0 0 "[ . 1 . 2]" 1
807 1 44 ILE H 1 44 ILE QG . . 4.160 3.056 2.659 3.375 . 0 0 "[ . 1 . 2]" 1
808 1 44 ILE H 1 44 ILE MG . . 4.430 3.682 3.668 3.696 . 0 0 "[ . 1 . 2]" 1
809 1 44 ILE HA 1 44 ILE MD . . 4.000 3.377 2.937 3.782 . 0 0 "[ . 1 . 2]" 1
810 1 44 ILE HA 1 44 ILE QG . . 3.350 2.200 2.120 2.291 . 0 0 "[ . 1 . 2]" 1
811 1 44 ILE HA 1 45 PRO HD3 . . 3.930 2.261 2.260 2.264 . 0 0 "[ . 1 . 2]" 1
812 1 44 ILE HA 1 45 PRO HG2 . . 4.770 4.268 4.263 4.271 . 0 0 "[ . 1 . 2]" 1
813 1 44 ILE HA 1 45 PRO HG3 . . 4.630 4.330 4.329 4.332 . 0 0 "[ . 1 . 2]" 1
814 1 44 ILE HB 1 44 ILE MD . . 3.370 2.200 2.071 2.303 . 0 0 "[ . 1 . 2]" 1
815 1 44 ILE HB 1 57 LEU MD2 . . 4.850 3.050 2.678 3.431 . 0 0 "[ . 1 . 2]" 1
816 1 44 ILE MD 1 44 ILE MG . . 3.390 2.815 2.301 3.201 . 0 0 "[ . 1 . 2]" 1
817 1 44 ILE MD 1 57 LEU MD1 . . 4.510 4.291 3.632 4.513 0.003 11 0 "[ . 1 . 2]" 1
818 1 44 ILE MD 1 57 LEU MD2 . . 2.980 2.515 1.913 2.962 . 0 0 "[ . 1 . 2]" 1
819 1 44 ILE MD 1 59 LEU MD2 . . 5.500 5.287 5.021 5.510 0.010 18 0 "[ . 1 . 2]" 1
820 1 44 ILE QG 1 44 ILE MG . . 3.190 2.105 1.989 2.223 . 0 0 "[ . 1 . 2]" 1
821 1 44 ILE QG 1 45 PRO HD2 . . 3.770 3.043 2.995 3.073 . 0 0 "[ . 1 . 2]" 1
822 1 44 ILE QG 1 45 PRO HD3 . . 4.200 3.946 3.903 3.996 . 0 0 "[ . 1 . 2]" 1
823 1 44 ILE QG 1 45 PRO HG2 . . 5.240 4.972 4.927 5.016 . 0 0 "[ . 1 . 2]" 1
824 1 44 ILE QG 1 45 PRO HG3 . . 5.340 5.409 5.394 5.426 0.086 17 0 "[ . 1 . 2]" 1
825 1 44 ILE QG 1 57 LEU MD2 . . 4.000 3.438 2.654 4.000 0.000 2 0 "[ . 1 . 2]" 1
826 1 45 PRO HA 1 46 LEU H . . 3.010 2.158 2.151 2.176 . 0 0 "[ . 1 . 2]" 1
827 1 45 PRO HB2 1 46 LEU H . . 3.860 3.511 3.358 3.637 . 0 0 "[ . 1 . 2]" 1
828 1 45 PRO HB2 1 47 ILE MD . . 4.030 3.558 3.209 3.833 . 0 0 "[ . 1 . 2]" 1
829 1 46 LEU H 1 46 LEU HB2 . . 3.480 2.103 2.090 2.142 . 0 0 "[ . 1 . 2]" 1
830 1 46 LEU H 1 46 LEU HB3 . . 3.550 3.232 3.153 3.297 . 0 0 "[ . 1 . 2]" 1
831 1 46 LEU H 1 46 LEU MD1 . . 3.430 3.070 2.915 3.226 . 0 0 "[ . 1 . 2]" 1
832 1 46 LEU H 1 46 LEU HG . . 4.660 4.384 4.317 4.465 . 0 0 "[ . 1 . 2]" 1
833 1 46 LEU HA 1 46 LEU MD1 . . 3.660 2.354 2.233 2.516 . 0 0 "[ . 1 . 2]" 1
834 1 46 LEU HA 1 46 LEU MD2 . . 3.860 3.744 3.719 3.765 . 0 0 "[ . 1 . 2]" 1
835 1 46 LEU HA 1 46 LEU HG . . 4.020 2.404 2.342 2.468 . 0 0 "[ . 1 . 2]" 1
836 1 46 LEU HA 1 54 VAL H . . 4.780 4.526 4.304 4.705 . 0 0 "[ . 1 . 2]" 1
837 1 46 LEU HA 1 55 ALA HA . . 4.750 3.512 3.202 3.881 . 0 0 "[ . 1 . 2]" 1
838 1 46 LEU HA 1 55 ALA MB . . 3.650 2.011 1.967 2.107 . 0 0 "[ . 1 . 2]" 1
839 1 46 LEU HB2 1 53 PHE HB3 . . 4.570 3.703 3.460 3.957 . 0 0 "[ . 1 . 2]" 1
840 1 46 LEU HB2 1 53 PHE QD . . 4.250 4.001 3.637 4.260 0.010 16 0 "[ . 1 . 2]" 1
841 1 46 LEU HB2 1 68 PHE QD . . 5.200 5.195 5.141 5.212 0.012 2 0 "[ . 1 . 2]" 1
842 1 46 LEU HB3 1 47 ILE H . . 5.310 3.885 3.756 3.970 . 0 0 "[ . 1 . 2]" 1
843 1 46 LEU HB3 1 53 PHE HA . . 4.240 4.144 3.977 4.246 0.006 2 0 "[ . 1 . 2]" 1
844 1 46 LEU HB3 1 53 PHE HB3 . . 5.270 2.205 1.998 2.514 . 0 0 "[ . 1 . 2]" 1
845 1 46 LEU HB3 1 53 PHE QD . . 3.350 2.663 2.215 2.940 . 0 0 "[ . 1 . 2]" 1
846 1 46 LEU HB3 1 54 VAL H . . 4.000 3.591 3.426 3.875 . 0 0 "[ . 1 . 2]" 1
847 1 46 LEU MD1 1 53 PHE HB3 . . 5.350 4.408 4.320 4.474 . 0 0 "[ . 1 . 2]" 1
848 1 46 LEU MD1 1 53 PHE QD . . 5.470 5.192 4.898 5.342 . 0 0 "[ . 1 . 2]" 1
849 1 46 LEU MD1 1 55 ALA HA . . 4.430 4.171 3.963 4.390 . 0 0 "[ . 1 . 2]" 1
850 1 46 LEU MD1 1 55 ALA MB . . 3.130 1.878 1.800 1.963 . 0 0 "[ . 1 . 2]" 1
851 1 46 LEU MD1 1 57 LEU MD1 . . 5.230 4.614 4.337 4.852 . 0 0 "[ . 1 . 2]" 1
852 1 46 LEU MD1 1 68 PHE QD . . 3.310 3.178 3.011 3.310 0.000 7 0 "[ . 1 . 2]" 1
853 1 46 LEU MD1 1 68 PHE QE . . 4.420 3.020 2.784 3.220 . 0 0 "[ . 1 . 2]" 1
854 1 46 LEU MD2 1 53 PHE HA . . 4.530 4.128 4.032 4.225 . 0 0 "[ . 1 . 2]" 1
855 1 46 LEU MD2 1 53 PHE HB2 . . 3.990 2.626 2.417 2.901 . 0 0 "[ . 1 . 2]" 1
856 1 46 LEU MD2 1 53 PHE HB3 . . 4.240 1.995 1.954 2.146 . 0 0 "[ . 1 . 2]" 1
857 1 46 LEU MD2 1 53 PHE QD . . 4.190 3.545 3.245 3.665 . 0 0 "[ . 1 . 2]" 1
858 1 46 LEU MD2 1 68 PHE HA . . 4.940 4.783 4.571 4.942 0.002 7 0 "[ . 1 . 2]" 1
859 1 46 LEU MD2 1 68 PHE QD . . 4.130 2.837 2.667 3.088 . 0 0 "[ . 1 . 2]" 1
860 1 46 LEU MD2 1 68 PHE QE . . 3.120 2.424 2.246 2.668 . 0 0 "[ . 1 . 2]" 1
861 1 46 LEU HG 1 47 ILE H . . 5.500 3.741 3.557 3.903 . 0 0 "[ . 1 . 2]" 1
862 1 46 LEU HG 1 53 PHE QD . . 5.000 4.840 4.451 5.003 0.003 1 0 "[ . 1 . 2]" 1
863 1 46 LEU HG 1 54 VAL H . . 4.420 3.717 3.477 3.941 . 0 0 "[ . 1 . 2]" 1
864 1 46 LEU HG 1 54 VAL HA . . 4.820 3.497 3.243 3.671 . 0 0 "[ . 1 . 2]" 1
865 1 46 LEU HG 1 55 ALA HA . . 4.690 3.782 3.570 4.154 . 0 0 "[ . 1 . 2]" 1
866 1 46 LEU HG 1 55 ALA MB . . 3.550 2.006 1.913 2.270 . 0 0 "[ . 1 . 2]" 1
867 1 46 LEU HG 1 68 PHE QE . . 4.890 4.438 4.221 4.804 . 0 0 "[ . 1 . 2]" 1
868 1 47 ILE H 1 47 ILE MD . . 4.640 2.916 2.875 2.983 . 0 0 "[ . 1 . 2]" 1
869 1 47 ILE H 1 47 ILE HG12 . . 5.230 1.951 1.944 1.977 . 0 0 "[ . 1 . 2]" 1
870 1 47 ILE H 1 47 ILE HG13 . . 5.210 3.514 3.509 3.531 . 0 0 "[ . 1 . 2]" 1
871 1 47 ILE H 1 54 VAL H . . 5.310 3.951 3.729 4.125 . 0 0 "[ . 1 . 2]" 1
872 1 47 ILE HA 1 47 ILE MD . . 3.510 2.071 2.013 2.159 . 0 0 "[ . 1 . 2]" 1
873 1 47 ILE HA 1 47 ILE MG . . 3.170 2.287 2.233 2.376 . 0 0 "[ . 1 . 2]" 1
874 1 47 ILE HA 1 48 LYS H . . 2.710 2.141 2.138 2.144 . 0 0 "[ . 1 . 2]" 1
875 1 47 ILE HA 1 53 PHE QD . . 4.730 4.552 4.360 4.724 . 0 0 "[ . 1 . 2]" 1
876 1 47 ILE HA 1 54 VAL H . . 4.910 4.710 4.627 4.846 . 0 0 "[ . 1 . 2]" 1
877 1 47 ILE HB 1 47 ILE MD . . 3.350 3.221 3.216 3.231 . 0 0 "[ . 1 . 2]" 1
878 1 47 ILE HB 1 48 LYS H . . 4.290 4.274 4.203 4.307 0.017 19 0 "[ . 1 . 2]" 1
879 1 47 ILE HB 1 54 VAL H . . 4.290 3.732 3.616 3.970 . 0 0 "[ . 1 . 2]" 1
880 1 47 ILE MD 1 48 LYS H . . 3.830 3.705 3.633 3.783 . 0 0 "[ . 1 . 2]" 1
881 1 47 ILE MD 1 55 ALA MB . . 4.720 4.701 4.557 4.729 0.009 18 0 "[ . 1 . 2]" 1
882 1 47 ILE HG12 1 54 VAL H . . 5.500 5.341 5.160 5.499 . 0 0 "[ . 1 . 2]" 1
883 1 47 ILE HG12 1 55 ALA MB . . 4.450 3.890 3.632 4.036 . 0 0 "[ . 1 . 2]" 1
884 1 47 ILE HG13 1 47 ILE MG . . 3.460 2.275 2.232 2.354 . 0 0 "[ . 1 . 2]" 1
885 1 47 ILE MG 1 48 LYS H . . 3.050 2.758 2.582 2.936 . 0 0 "[ . 1 . 2]" 1
886 1 47 ILE MG 1 54 VAL H . . 4.720 4.396 4.288 4.592 . 0 0 "[ . 1 . 2]" 1
887 1 48 LYS H 1 48 LYS HB2 . . 3.040 2.441 2.375 2.511 . 0 0 "[ . 1 . 2]" 1
888 1 48 LYS H 1 48 LYS HB3 . . 2.970 2.660 2.582 2.716 . 0 0 "[ . 1 . 2]" 1
889 1 48 LYS H 1 48 LYS HG3 . . 4.490 4.390 4.338 4.442 . 0 0 "[ . 1 . 2]" 1
890 1 48 LYS H 1 53 PHE HA . . 4.740 4.652 4.553 4.743 0.003 1 0 "[ . 1 . 2]" 1
891 1 48 LYS H 1 53 PHE QD . . 4.160 3.601 3.431 3.737 . 0 0 "[ . 1 . 2]" 1
892 1 48 LYS H 1 53 PHE QE . . 4.290 4.088 3.798 4.280 . 0 0 "[ . 1 . 2]" 1
893 1 48 LYS H 1 54 VAL H . . 4.730 4.671 4.578 4.734 0.004 5 0 "[ . 1 . 2]" 1
894 1 48 LYS HA 1 48 LYS QD . . 4.170 3.945 3.793 3.983 . 0 0 "[ . 1 . 2]" 1
895 1 48 LYS HA 1 48 LYS HG3 . . 4.240 2.424 2.360 2.471 . 0 0 "[ . 1 . 2]" 1
896 1 48 LYS HA 1 49 SER H . . 2.880 2.142 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
897 1 48 LYS HA 1 53 PHE HA . . 3.050 2.122 2.028 2.233 . 0 0 "[ . 1 . 2]" 1
898 1 48 LYS HA 1 53 PHE QD . . 3.550 2.603 2.295 2.819 . 0 0 "[ . 1 . 2]" 1
899 1 48 LYS HA 1 53 PHE QE . . 4.550 3.719 3.519 3.824 . 0 0 "[ . 1 . 2]" 1
900 1 48 LYS HA 1 54 VAL H . . 3.910 3.310 3.191 3.449 . 0 0 "[ . 1 . 2]" 1
901 1 48 LYS HB2 1 48 LYS QD . . 3.360 2.343 2.111 2.423 . 0 0 "[ . 1 . 2]" 1
902 1 48 LYS HB2 1 48 LYS QE . . 4.790 3.525 2.817 4.147 . 0 0 "[ . 1 . 2]" 1
903 1 48 LYS HB2 1 49 SER H . . 4.590 4.399 4.312 4.457 . 0 0 "[ . 1 . 2]" 1
904 1 48 LYS HB2 1 53 PHE HA . . 4.510 4.402 4.274 4.516 0.006 8 0 "[ . 1 . 2]" 1
905 1 48 LYS HB2 1 53 PHE QD . . 4.080 2.918 2.662 3.278 . 0 0 "[ . 1 . 2]" 1
906 1 48 LYS HB2 1 53 PHE QE . . 3.690 2.176 2.001 2.319 . 0 0 "[ . 1 . 2]" 1
907 1 48 LYS HB3 1 49 SER H . . 4.160 4.160 4.139 4.171 0.011 12 0 "[ . 1 . 2]" 1
908 1 48 LYS HB3 1 53 PHE QE . . 4.940 3.827 3.662 3.967 . 0 0 "[ . 1 . 2]" 1
909 1 48 LYS QD 1 53 PHE QE . . 3.150 2.365 1.994 2.913 . 0 0 "[ . 1 . 2]" 1
910 1 48 LYS QE 1 53 PHE QD . . 5.340 4.522 3.957 5.310 . 0 0 "[ . 1 . 2]" 1
911 1 48 LYS QE 1 53 PHE QE . . 3.840 3.208 2.543 3.856 0.016 16 0 "[ . 1 . 2]" 1
912 1 48 LYS HE2 1 48 LYS HG3 . . 4.140 3.222 2.217 4.178 0.038 16 0 "[ . 1 . 2]" 1
913 1 48 LYS HE2 1 53 PHE QE . . 4.510 3.672 2.636 4.511 0.001 4 0 "[ . 1 . 2]" 1
914 1 48 LYS HE3 1 48 LYS HG3 . . 4.140 3.325 2.342 3.746 . 0 0 "[ . 1 . 2]" 1
915 1 48 LYS HE3 1 53 PHE QE . . 4.510 3.838 2.578 4.513 0.003 2 0 "[ . 1 . 2]" 1
916 1 48 LYS HG2 1 49 SER H . . 3.610 3.315 3.175 3.481 . 0 0 "[ . 1 . 2]" 1
917 1 48 LYS HG2 1 49 SER HA . . 4.910 4.539 4.387 4.716 . 0 0 "[ . 1 . 2]" 1
918 1 48 LYS HG2 1 53 PHE QD . . 4.640 4.590 4.513 4.652 0.012 16 0 "[ . 1 . 2]" 1
919 1 48 LYS HG3 1 49 SER H . . 3.570 3.414 3.005 3.570 . 0 0 "[ . 1 . 2]" 1
920 1 48 LYS HG3 1 53 PHE HA . . 4.360 3.530 3.422 3.711 . 0 0 "[ . 1 . 2]" 1
921 1 48 LYS HG3 1 53 PHE QD . . 4.280 3.257 3.150 3.348 . 0 0 "[ . 1 . 2]" 1
922 1 48 LYS HG3 1 53 PHE QE . . 3.930 2.957 2.849 3.072 . 0 0 "[ . 1 . 2]" 1
923 1 49 SER H 1 49 SER QB . . 3.230 2.407 2.312 2.711 . 0 0 "[ . 1 . 2]" 1
924 1 49 SER H 1 52 ASP H . . 3.870 3.812 3.760 3.873 0.003 4 0 "[ . 1 . 2]" 1
925 1 49 SER H 1 52 ASP HB2 . . 5.480 5.362 5.318 5.429 . 0 0 "[ . 1 . 2]" 1
926 1 49 SER H 1 53 PHE HA . . 3.470 2.509 2.476 2.584 . 0 0 "[ . 1 . 2]" 1
927 1 49 SER H 1 53 PHE QD . . 4.480 4.382 4.168 4.480 0.000 17 0 "[ . 1 . 2]" 1
928 1 49 SER H 1 53 PHE QE . . 5.500 5.414 5.202 5.495 . 0 0 "[ . 1 . 2]" 1
929 1 49 SER H 1 54 VAL H . . 4.190 3.713 3.576 3.848 . 0 0 "[ . 1 . 2]" 1
930 1 49 SER H 1 54 VAL QG . . 3.820 3.249 3.005 3.833 0.013 12 0 "[ . 1 . 2]" 1
931 1 49 SER HA 1 54 VAL QG . . 5.000 3.969 3.793 4.980 . 0 0 "[ . 1 . 2]" 1
932 1 49 SER QB 1 54 VAL H . . 4.780 4.219 3.915 4.787 0.007 9 0 "[ . 1 . 2]" 1
933 1 49 SER QB 1 54 VAL QG . . 3.410 2.263 1.939 2.927 . 0 0 "[ . 1 . 2]" 1
934 1 50 HIS HA 1 50 HIS HD2 . . 4.760 3.595 2.246 4.753 . 0 0 "[ . 1 . 2]" 1
935 1 51 ASN HA 1 51 ASN QD . . 4.370 3.800 2.152 4.147 . 0 0 "[ . 1 . 2]" 1
936 1 51 ASN HA 1 51 ASN HD22 . . 5.000 4.786 3.759 5.106 0.106 5 0 "[ . 1 . 2]" 1
937 1 51 ASN HA 1 52 ASP HA . . 4.650 4.611 4.608 4.615 . 0 0 "[ . 1 . 2]" 1
938 1 51 ASN QB 1 51 ASN QD . . 2.790 2.189 2.092 2.569 . 0 0 "[ . 1 . 2]" 1
939 1 51 ASN QB 1 52 ASP H . . 3.840 2.598 2.249 3.058 . 0 0 "[ . 1 . 2]" 1
940 1 51 ASN QD 1 52 ASP H . . 4.280 3.378 1.864 4.076 . 0 0 "[ . 1 . 2]" 1
941 1 51 ASN HD21 1 52 ASP H . . 4.890 3.644 1.897 4.376 . 0 0 "[ . 1 . 2]" 1
942 1 51 ASN HD22 1 52 ASP H . . 4.890 4.309 2.739 4.892 0.002 15 0 "[ . 1 . 2]" 1
943 1 52 ASP H 1 52 ASP HB2 . . 3.280 2.969 2.908 2.997 . 0 0 "[ . 1 . 2]" 1
944 1 52 ASP H 1 52 ASP HB3 . . 4.140 3.959 3.925 3.972 . 0 0 "[ . 1 . 2]" 1
945 1 52 ASP H 1 53 PHE H . . 4.360 4.352 4.336 4.363 0.003 18 0 "[ . 1 . 2]" 1
946 1 52 ASP H 1 54 VAL QG . . 3.920 3.855 3.714 3.921 0.001 18 0 "[ . 1 . 2]" 1
947 1 52 ASP HA 1 53 PHE H . . 2.970 2.661 2.630 2.699 . 0 0 "[ . 1 . 2]" 1
948 1 52 ASP HA 1 53 PHE QD . . 4.540 3.990 3.904 4.233 . 0 0 "[ . 1 . 2]" 1
949 1 52 ASP HA 1 54 VAL QG . . 4.990 4.920 4.849 4.988 . 0 0 "[ . 1 . 2]" 1
950 1 52 ASP HB2 1 53 PHE H . . 3.210 3.054 2.932 3.212 0.002 7 0 "[ . 1 . 2]" 1
951 1 52 ASP HB2 1 53 PHE QD . . 5.500 5.303 5.190 5.480 . 0 0 "[ . 1 . 2]" 1
952 1 52 ASP HB2 1 54 VAL QG . . 4.550 3.602 3.505 3.668 . 0 0 "[ . 1 . 2]" 1
953 1 52 ASP HB3 1 53 PHE H . . 3.210 1.999 1.945 2.049 . 0 0 "[ . 1 . 2]" 1
954 1 52 ASP HB3 1 54 VAL QG . . 4.710 4.442 4.289 4.515 . 0 0 "[ . 1 . 2]" 1
955 1 53 PHE H 1 53 PHE HB2 . . 3.530 2.352 2.263 2.420 . 0 0 "[ . 1 . 2]" 1
956 1 53 PHE H 1 53 PHE HB3 . . 3.730 3.588 3.545 3.606 . 0 0 "[ . 1 . 2]" 1
957 1 53 PHE H 1 53 PHE QD . . 3.460 2.527 2.408 2.674 . 0 0 "[ . 1 . 2]" 1
958 1 53 PHE H 1 54 VAL H . . 4.680 4.591 4.566 4.607 . 0 0 "[ . 1 . 2]" 1
959 1 53 PHE H 1 54 VAL QG . . 4.270 4.073 3.958 4.142 . 0 0 "[ . 1 . 2]" 1
960 1 53 PHE HA 1 53 PHE QD . . 3.440 2.852 2.695 2.910 . 0 0 "[ . 1 . 2]" 1
961 1 53 PHE HA 1 53 PHE QE . . 4.580 4.553 4.505 4.590 0.010 12 0 "[ . 1 . 2]" 1
962 1 53 PHE HA 1 54 VAL H . . 2.960 2.232 2.189 2.260 . 0 0 "[ . 1 . 2]" 1
963 1 53 PHE HA 1 54 VAL QG . . 4.770 3.214 3.147 3.507 . 0 0 "[ . 1 . 2]" 1
964 1 53 PHE HB2 1 54 VAL H . . 4.190 4.062 3.970 4.137 . 0 0 "[ . 1 . 2]" 1
965 1 53 PHE HB3 1 54 VAL H . . 3.860 2.919 2.812 3.078 . 0 0 "[ . 1 . 2]" 1
966 1 53 PHE QD 1 54 VAL H . . 4.180 3.655 3.394 3.790 . 0 0 "[ . 1 . 2]" 1
967 1 54 VAL H 1 54 VAL QG . . 3.040 2.323 2.112 2.995 . 0 0 "[ . 1 . 2]" 1
968 1 54 VAL HA 1 54 VAL QG . . 3.110 2.211 2.073 2.327 . 0 0 "[ . 1 . 2]" 1
969 1 55 ALA HA 1 56 ILE HB . . 5.500 4.632 4.586 4.678 . 0 0 "[ . 1 . 2]" 1
970 1 55 ALA HA 1 56 ILE MD . . 3.840 3.027 2.657 3.220 . 0 0 "[ . 1 . 2]" 1
971 1 55 ALA MB 1 56 ILE H . . 3.340 3.081 2.833 3.264 . 0 0 "[ . 1 . 2]" 1
972 1 55 ALA MB 1 57 LEU MD1 . . 4.000 3.953 3.600 4.010 0.010 18 0 "[ . 1 . 2]" 1
973 1 55 ALA MB 1 57 LEU MD2 . . 3.730 3.263 2.805 3.522 . 0 0 "[ . 1 . 2]" 1
974 1 56 ILE H 1 56 ILE HB . . 3.340 2.565 2.522 2.643 . 0 0 "[ . 1 . 2]" 1
975 1 56 ILE H 1 56 ILE MD . . 3.240 2.241 2.016 2.431 . 0 0 "[ . 1 . 2]" 1
976 1 56 ILE H 1 56 ILE HG12 . . 4.390 4.155 4.024 4.346 . 0 0 "[ . 1 . 2]" 1
977 1 56 ILE H 1 56 ILE HG13 . . 3.700 3.287 3.063 3.539 . 0 0 "[ . 1 . 2]" 1
978 1 56 ILE H 1 56 ILE MG . . 4.070 3.817 3.795 3.851 . 0 0 "[ . 1 . 2]" 1
979 1 56 ILE H 1 57 LEU H . . 4.380 4.216 4.068 4.324 . 0 0 "[ . 1 . 2]" 1
980 1 56 ILE H 1 57 LEU MD2 . . 5.210 4.774 4.384 5.084 . 0 0 "[ . 1 . 2]" 1
981 1 56 ILE HA 1 56 ILE MD . . 3.570 3.420 3.331 3.525 . 0 0 "[ . 1 . 2]" 1
982 1 56 ILE HA 1 56 ILE HG12 . . 4.040 3.504 3.465 3.538 . 0 0 "[ . 1 . 2]" 1
983 1 56 ILE HA 1 56 ILE HG13 . . 4.140 2.358 2.340 2.393 . 0 0 "[ . 1 . 2]" 1
984 1 56 ILE HA 1 56 ILE MG . . 3.230 2.309 2.253 2.333 . 0 0 "[ . 1 . 2]" 1
985 1 56 ILE HA 1 57 LEU H . . 2.900 2.165 2.142 2.184 . 0 0 "[ . 1 . 2]" 1
986 1 56 ILE HB 1 56 ILE MD . . 3.260 2.100 2.051 2.203 . 0 0 "[ . 1 . 2]" 1
987 1 56 ILE HB 1 57 LEU H . . 4.420 4.377 4.298 4.420 . 0 0 "[ . 1 . 2]" 1
988 1 56 ILE MD 1 56 ILE MG . . 3.240 3.130 3.090 3.161 . 0 0 "[ . 1 . 2]" 1
989 1 56 ILE HG12 1 56 ILE MG . . 3.230 1.996 1.965 2.105 . 0 0 "[ . 1 . 2]" 1
990 1 56 ILE HG13 1 56 ILE MG . . 3.450 2.713 2.675 2.780 . 0 0 "[ . 1 . 2]" 1
991 1 56 ILE HG13 1 57 LEU H . . 4.740 4.508 4.461 4.572 . 0 0 "[ . 1 . 2]" 1
992 1 56 ILE MG 1 57 LEU H . . 3.290 2.932 2.681 3.168 . 0 0 "[ . 1 . 2]" 1
993 1 57 LEU H 1 57 LEU HB3 . . 3.710 3.633 3.596 3.673 . 0 0 "[ . 1 . 2]" 1
994 1 57 LEU H 1 57 LEU MD1 . . 4.000 3.571 3.319 3.790 . 0 0 "[ . 1 . 2]" 1
995 1 57 LEU H 1 57 LEU MD2 . . 3.990 3.690 3.480 3.892 . 0 0 "[ . 1 . 2]" 1
996 1 57 LEU H 1 58 ASP H . . 4.570 4.548 4.520 4.580 0.010 11 0 "[ . 1 . 2]" 1
997 1 57 LEU H 1 59 LEU MD1 . . 5.500 5.344 5.010 5.473 . 0 0 "[ . 1 . 2]" 1
998 1 57 LEU HA 1 57 LEU MD1 . . 4.200 3.915 3.855 3.977 . 0 0 "[ . 1 . 2]" 1
999 1 57 LEU HA 1 57 LEU MD2 . . 2.980 2.330 2.071 2.540 . 0 0 "[ . 1 . 2]" 1
1000 1 57 LEU HA 1 58 ASP H . . 2.790 2.484 2.362 2.529 . 0 0 "[ . 1 . 2]" 1
1001 1 57 LEU HA 1 59 LEU MD2 . . 4.920 4.317 4.178 4.923 0.003 1 0 "[ . 1 . 2]" 1
1002 1 57 LEU HB2 1 57 LEU MD2 . . 3.440 3.168 3.136 3.194 . 0 0 "[ . 1 . 2]" 1
1003 1 57 LEU HB2 1 58 ASP H . . 3.600 3.422 3.207 3.601 0.001 19 0 "[ . 1 . 2]" 1
1004 1 57 LEU HB2 1 59 LEU MD1 . . 4.910 3.485 3.187 3.656 . 0 0 "[ . 1 . 2]" 1
1005 1 57 LEU HB2 1 59 LEU MD2 . . 4.510 3.156 2.870 3.536 . 0 0 "[ . 1 . 2]" 1
1006 1 57 LEU HB2 1 59 LEU HG . . 4.880 3.180 2.943 3.410 . 0 0 "[ . 1 . 2]" 1
1007 1 57 LEU HB3 1 58 ASP H . . 3.730 2.253 2.143 2.534 . 0 0 "[ . 1 . 2]" 1
1008 1 57 LEU HB3 1 59 LEU MD1 . . 4.920 3.870 3.624 4.385 . 0 0 "[ . 1 . 2]" 1
1009 1 57 LEU HB3 1 59 LEU MD2 . . 4.890 2.466 2.285 3.051 . 0 0 "[ . 1 . 2]" 1
1010 1 57 LEU MD1 1 58 ASP H . . 4.660 4.363 4.173 4.667 0.007 2 0 "[ . 1 . 2]" 1
1011 1 57 LEU MD1 1 59 LEU MD1 . . 3.910 3.051 2.886 3.280 . 0 0 "[ . 1 . 2]" 1
1012 1 57 LEU MD1 1 59 LEU MD2 . . 3.760 2.931 2.701 3.213 . 0 0 "[ . 1 . 2]" 1
1013 1 57 LEU MD1 1 59 LEU HG . . 4.990 4.023 3.924 4.106 . 0 0 "[ . 1 . 2]" 1
1014 1 57 LEU MD1 1 94 ILE MG . . 5.380 3.593 3.351 4.188 . 0 0 "[ . 1 . 2]" 1
1015 1 57 LEU MD2 1 58 ASP H . . 3.500 3.315 3.078 3.509 0.009 10 0 "[ . 1 . 2]" 1
1016 1 57 LEU MD2 1 59 LEU MD1 . . 5.150 4.749 4.530 5.036 . 0 0 "[ . 1 . 2]" 1
1017 1 57 LEU MD2 1 59 LEU MD2 . . 3.960 3.640 3.487 3.955 . 0 0 "[ . 1 . 2]" 1
1018 1 57 LEU MD2 1 59 LEU HG . . 5.500 5.158 5.032 5.392 . 0 0 "[ . 1 . 2]" 1
1019 1 58 ASP H 1 58 ASP QB . . 3.060 2.844 2.473 3.069 0.009 19 0 "[ . 1 . 2]" 1
1020 1 58 ASP H 1 59 LEU H . . 4.220 3.972 3.918 4.046 . 0 0 "[ . 1 . 2]" 1
1021 1 58 ASP H 1 59 LEU MD2 . . 4.500 2.706 2.454 3.385 . 0 0 "[ . 1 . 2]" 1
1022 1 58 ASP HA 1 59 LEU H . . 2.950 2.192 2.162 2.204 . 0 0 "[ . 1 . 2]" 1
1023 1 58 ASP HA 1 59 LEU MD2 . . 5.230 3.831 3.662 4.215 . 0 0 "[ . 1 . 2]" 1
1024 1 58 ASP QB 1 59 LEU H . . 3.800 3.655 3.585 3.797 . 0 0 "[ . 1 . 2]" 1
1025 1 59 LEU H 1 59 LEU HB2 . . 3.420 2.909 2.649 2.980 . 0 0 "[ . 1 . 2]" 1
1026 1 59 LEU H 1 59 LEU HB3 . . 3.920 3.804 3.741 3.849 . 0 0 "[ . 1 . 2]" 1
1027 1 59 LEU H 1 59 LEU MD1 . . 4.110 3.947 3.791 4.037 . 0 0 "[ . 1 . 2]" 1
1028 1 59 LEU H 1 59 LEU MD2 . . 3.630 3.166 3.056 3.295 . 0 0 "[ . 1 . 2]" 1
1029 1 59 LEU H 1 59 LEU HG . . 3.250 2.472 2.275 2.687 . 0 0 "[ . 1 . 2]" 1
1030 1 59 LEU H 1 60 PRO HD2 . . 5.110 4.808 4.803 4.813 . 0 0 "[ . 1 . 2]" 1
1031 1 59 LEU H 1 60 PRO QD . . 4.420 4.361 4.350 4.371 . 0 0 "[ . 1 . 2]" 1
1032 1 59 LEU H 1 60 PRO HD3 . . 5.110 4.994 4.964 5.018 . 0 0 "[ . 1 . 2]" 1
1033 1 59 LEU HA 1 59 LEU MD1 . . 4.480 3.932 3.840 3.983 . 0 0 "[ . 1 . 2]" 1
1034 1 59 LEU HA 1 59 LEU MD2 . . 3.500 2.327 2.136 2.502 . 0 0 "[ . 1 . 2]" 1
1035 1 59 LEU HA 1 60 PRO HD2 . . 4.040 2.414 2.388 2.427 . 0 0 "[ . 1 . 2]" 1
1036 1 59 LEU HA 1 60 PRO HD3 . . 4.040 2.305 2.296 2.310 . 0 0 "[ . 1 . 2]" 1
1037 1 59 LEU HB2 1 60 PRO QD . . 4.770 3.116 3.046 3.370 . 0 0 "[ . 1 . 2]" 1
1038 1 59 LEU HB2 1 64 HIS HD2 . . 4.310 4.178 3.981 4.292 . 0 0 "[ . 1 . 2]" 1
1039 1 59 LEU HB2 1 96 VAL MG1 . . 3.210 2.778 2.467 3.060 . 0 0 "[ . 1 . 2]" 1
1040 1 59 LEU HB2 1 96 VAL MG2 . . 3.760 2.050 1.894 2.496 . 0 0 "[ . 1 . 2]" 1
1041 1 59 LEU HB3 1 60 PRO QD . . 4.840 1.954 1.949 1.973 . 0 0 "[ . 1 . 2]" 1
1042 1 59 LEU HB3 1 64 HIS HE1 . . 4.600 3.536 3.330 3.899 . 0 0 "[ . 1 . 2]" 1
1043 1 59 LEU HB3 1 96 VAL MG2 . . 3.570 2.903 2.588 3.307 . 0 0 "[ . 1 . 2]" 1
1044 1 59 LEU MD1 1 60 PRO HD2 . . 5.250 3.899 3.782 4.018 . 0 0 "[ . 1 . 2]" 1
1045 1 59 LEU MD1 1 60 PRO QD . . 4.540 3.788 3.675 3.895 . 0 0 "[ . 1 . 2]" 1
1046 1 59 LEU MD1 1 60 PRO HD3 . . 5.250 5.142 4.994 5.236 . 0 0 "[ . 1 . 2]" 1
1047 1 59 LEU MD1 1 64 HIS HD2 . . 3.400 2.689 2.348 2.875 . 0 0 "[ . 1 . 2]" 1
1048 1 59 LEU MD1 1 94 ILE H . . 5.500 5.486 5.271 5.515 0.015 1 0 "[ . 1 . 2]" 1
1049 1 59 LEU MD1 1 94 ILE HB . . 5.220 4.899 4.631 5.013 . 0 0 "[ . 1 . 2]" 1
1050 1 59 LEU MD1 1 94 ILE MD . . 3.520 3.452 3.113 3.524 0.004 4 0 "[ . 1 . 2]" 1
1051 1 59 LEU MD1 1 94 ILE MG . . 3.560 2.716 2.538 2.796 . 0 0 "[ . 1 . 2]" 1
1052 1 59 LEU MD1 1 96 VAL HA . . 5.070 4.667 4.515 4.984 . 0 0 "[ . 1 . 2]" 1
1053 1 59 LEU MD1 1 96 VAL HB . . 5.040 4.004 3.850 4.199 . 0 0 "[ . 1 . 2]" 1
1054 1 59 LEU MD1 1 96 VAL MG2 . . 2.980 1.906 1.801 2.079 . 0 0 "[ . 1 . 2]" 1
1055 1 59 LEU MD2 1 60 PRO HD2 . . 4.110 3.369 3.006 3.499 . 0 0 "[ . 1 . 2]" 1
1056 1 59 LEU MD2 1 60 PRO HD3 . . 4.110 3.860 3.531 3.990 . 0 0 "[ . 1 . 2]" 1
1057 1 59 LEU MD2 1 64 HIS HD2 . . 4.990 4.809 4.447 4.992 0.002 7 0 "[ . 1 . 2]" 1
1058 1 59 LEU MD2 1 64 HIS HE1 . . 4.930 4.682 4.422 4.932 0.002 8 0 "[ . 1 . 2]" 1
1059 1 59 LEU MD2 1 94 ILE MD . . 5.380 5.210 4.931 5.389 0.009 1 0 "[ . 1 . 2]" 1
1060 1 59 LEU MD2 1 94 ILE MG . . 4.490 4.224 3.903 4.344 . 0 0 "[ . 1 . 2]" 1
1061 1 59 LEU MD2 1 96 VAL MG2 . . 4.190 3.842 3.725 4.085 . 0 0 "[ . 1 . 2]" 1
1062 1 59 LEU HG 1 60 PRO QD . . 5.350 4.533 4.434 4.555 . 0 0 "[ . 1 . 2]" 1
1063 1 60 PRO QB 1 61 GLU H . . 2.860 1.944 1.905 1.961 . 0 0 "[ . 1 . 2]" 1
1064 1 60 PRO QB 1 64 HIS HE1 . . 5.010 4.039 3.941 4.246 . 0 0 "[ . 1 . 2]" 1
1065 1 60 PRO HB2 1 61 GLU H . . 3.380 1.956 1.915 1.974 . 0 0 "[ . 1 . 2]" 1
1066 1 60 PRO HB3 1 61 GLU H . . 3.380 3.379 3.358 3.388 0.008 17 0 "[ . 1 . 2]" 1
1067 1 60 PRO QD 1 64 HIS HE1 . . 3.750 2.328 2.197 2.624 . 0 0 "[ . 1 . 2]" 1
1068 1 60 PRO QD 1 64 HIS HE2 . . 5.350 3.219 3.000 3.371 . 0 0 "[ . 1 . 2]" 1
1069 1 60 PRO QD 1 96 VAL MG2 . . 5.350 3.970 3.769 4.334 . 0 0 "[ . 1 . 2]" 1
1070 1 60 PRO HD2 1 64 HIS HE1 . . 4.500 2.360 2.219 2.670 . 0 0 "[ . 1 . 2]" 1
1071 1 60 PRO HD3 1 64 HIS HE1 . . 4.500 3.566 3.481 3.857 . 0 0 "[ . 1 . 2]" 1
1072 1 60 PRO QG 1 64 HIS HE1 . . 3.080 2.008 1.944 2.226 . 0 0 "[ . 1 . 2]" 1
1073 1 60 PRO QG 1 64 HIS HE2 . . 5.250 2.908 2.617 3.063 . 0 0 "[ . 1 . 2]" 1
1074 1 60 PRO HG2 1 64 HIS HE1 . . 3.510 2.059 1.995 2.294 . 0 0 "[ . 1 . 2]" 1
1075 1 60 PRO HG3 1 64 HIS HE1 . . 3.510 2.797 2.606 3.002 . 0 0 "[ . 1 . 2]" 1
1076 1 61 GLU H 1 61 GLU QB . . 2.980 2.948 2.904 2.968 . 0 0 "[ . 1 . 2]" 1
1077 1 61 GLU H 1 62 GLY H . . 4.130 3.917 3.698 4.125 . 0 0 "[ . 1 . 2]" 1
1078 1 61 GLU H 1 62 GLY HA3 . . 4.520 4.390 4.294 4.488 . 0 0 "[ . 1 . 2]" 1
1079 1 61 GLU H 1 96 VAL MG1 . . 4.210 4.037 3.884 4.210 0.000 15 0 "[ . 1 . 2]" 1
1080 1 61 GLU H 1 96 VAL MG2 . . 4.850 4.655 4.444 4.850 . 0 0 "[ . 1 . 2]" 1
1081 1 61 GLU HA 1 61 GLU HG2 . . 4.140 2.627 2.175 3.237 . 0 0 "[ . 1 . 2]" 1
1082 1 61 GLU HA 1 61 GLU QG . . 3.630 2.291 2.005 2.525 . 0 0 "[ . 1 . 2]" 1
1083 1 61 GLU HA 1 61 GLU HG3 . . 4.140 3.127 2.024 3.645 . 0 0 "[ . 1 . 2]" 1
1084 1 61 GLU HA 1 62 GLY H . . 2.780 2.153 2.142 2.194 . 0 0 "[ . 1 . 2]" 1
1085 1 61 GLU HA 1 64 HIS HD2 . . 5.290 5.069 4.936 5.256 . 0 0 "[ . 1 . 2]" 1
1086 1 61 GLU HA 1 96 VAL H . . 4.530 4.251 4.107 4.483 . 0 0 "[ . 1 . 2]" 1
1087 1 61 GLU HA 1 96 VAL HA . . 4.840 4.547 4.422 4.694 . 0 0 "[ . 1 . 2]" 1
1088 1 61 GLU HA 1 96 VAL HB . . 3.540 2.151 2.004 2.267 . 0 0 "[ . 1 . 2]" 1
1089 1 61 GLU HA 1 96 VAL MG1 . . 3.190 2.141 1.973 2.304 . 0 0 "[ . 1 . 2]" 1
1090 1 61 GLU HA 1 96 VAL MG2 . . 3.920 3.692 3.551 3.824 . 0 0 "[ . 1 . 2]" 1
1091 1 61 GLU HA 1 97 LYS H . . 4.780 4.611 4.359 4.786 0.006 10 0 "[ . 1 . 2]" 1
1092 1 61 GLU HA 1 98 LYS H . . 5.340 5.072 4.689 5.354 0.014 18 0 "[ . 1 . 2]" 1
1093 1 61 GLU QB 1 62 GLY H . . 3.900 3.690 3.354 3.900 0.000 5 0 "[ . 1 . 2]" 1
1094 1 61 GLU QB 1 96 VAL MG1 . . 3.960 3.308 2.886 3.758 . 0 0 "[ . 1 . 2]" 1
1095 1 61 GLU QB 1 97 LYS HA . . 4.670 4.311 3.910 4.671 0.001 12 0 "[ . 1 . 2]" 1
1096 1 61 GLU QB 1 98 LYS H . . 4.370 4.067 3.515 4.378 0.008 18 0 "[ . 1 . 2]" 1
1097 1 61 GLU QB 1 98 LYS HA . . 4.420 4.006 3.201 4.491 0.071 18 0 "[ . 1 . 2]" 1
1098 1 61 GLU QB 1 98 LYS QE . . 4.800 3.344 1.887 4.830 0.030 18 0 "[ . 1 . 2]" 1
1099 1 61 GLU QG 1 62 GLY H . . 3.900 3.016 2.366 3.784 . 0 0 "[ . 1 . 2]" 1
1100 1 61 GLU QG 1 97 LYS H . . 4.540 4.028 3.545 4.489 . 0 0 "[ . 1 . 2]" 1
1101 1 61 GLU QG 1 97 LYS HA . . 3.710 2.519 1.994 3.343 . 0 0 "[ . 1 . 2]" 1
1102 1 61 GLU QG 1 98 LYS QB . . 3.880 2.361 1.980 3.688 . 0 0 "[ . 1 . 2]" 1
1103 1 61 GLU QG 1 98 LYS QG . . 5.340 3.469 1.976 4.609 . 0 0 "[ . 1 . 2]" 1
1104 1 61 GLU HG2 1 97 LYS HA . . 4.250 2.640 2.057 3.644 . 0 0 "[ . 1 . 2]" 1
1105 1 61 GLU HG2 1 98 LYS H . . 3.950 2.906 2.357 3.263 . 0 0 "[ . 1 . 2]" 1
1106 1 61 GLU HG2 1 98 LYS HA . . 4.640 3.957 2.476 4.641 0.001 14 0 "[ . 1 . 2]" 1
1107 1 61 GLU HG3 1 97 LYS HA . . 4.250 3.288 2.677 3.889 . 0 0 "[ . 1 . 2]" 1
1108 1 61 GLU HG3 1 98 LYS H . . 3.950 2.723 2.110 3.981 0.031 18 0 "[ . 1 . 2]" 1
1109 1 61 GLU HG3 1 98 LYS HA . . 4.640 3.312 2.957 3.893 . 0 0 "[ . 1 . 2]" 1
1110 1 62 GLY H 1 63 GLU H . . 4.230 4.061 3.925 4.198 . 0 0 "[ . 1 . 2]" 1
1111 1 62 GLY H 1 64 HIS HE2 . . 5.500 3.070 2.783 3.393 . 0 0 "[ . 1 . 2]" 1
1112 1 62 GLY H 1 95 HIS HA . . 5.110 4.674 4.495 4.878 . 0 0 "[ . 1 . 2]" 1
1113 1 62 GLY H 1 96 VAL H . . 3.280 2.654 2.485 2.818 . 0 0 "[ . 1 . 2]" 1
1114 1 62 GLY H 1 96 VAL HA . . 4.430 4.211 4.082 4.335 . 0 0 "[ . 1 . 2]" 1
1115 1 62 GLY H 1 96 VAL HB . . 3.050 2.111 1.943 2.326 . 0 0 "[ . 1 . 2]" 1
1116 1 62 GLY H 1 96 VAL MG1 . . 3.500 3.283 3.028 3.507 0.007 1 0 "[ . 1 . 2]" 1
1117 1 62 GLY H 1 96 VAL MG2 . . 3.850 3.662 3.428 3.848 . 0 0 "[ . 1 . 2]" 1
1118 1 62 GLY H 1 97 LYS HA . . 4.360 4.107 3.870 4.359 . 0 0 "[ . 1 . 2]" 1
1119 1 62 GLY HA2 1 63 GLU H . . 3.390 3.294 3.240 3.372 . 0 0 "[ . 1 . 2]" 1
1120 1 62 GLY HA2 1 96 VAL H . . 4.590 4.061 3.950 4.268 . 0 0 "[ . 1 . 2]" 1
1121 1 62 GLY HA3 1 63 GLU H . . 2.680 2.142 2.137 2.161 . 0 0 "[ . 1 . 2]" 1
1122 1 62 GLY HA3 1 63 GLU QB . . 5.360 4.060 4.002 4.100 . 0 0 "[ . 1 . 2]" 1
1123 1 62 GLY HA3 1 96 VAL H . . 4.760 4.523 4.435 4.654 . 0 0 "[ . 1 . 2]" 1
1124 1 62 GLY HA3 1 96 VAL HB . . 5.420 4.659 4.444 4.933 . 0 0 "[ . 1 . 2]" 1
1125 1 63 GLU H 1 63 GLU QB . . 2.760 2.573 2.505 2.667 . 0 0 "[ . 1 . 2]" 1
1126 1 63 GLU H 1 64 HIS H . . 4.540 4.386 4.328 4.428 . 0 0 "[ . 1 . 2]" 1
1127 1 63 GLU H 1 64 HIS HD2 . . 4.810 4.078 3.908 4.258 . 0 0 "[ . 1 . 2]" 1
1128 1 63 GLU H 1 95 HIS HA . . 4.990 4.778 4.712 4.876 . 0 0 "[ . 1 . 2]" 1
1129 1 63 GLU H 1 96 VAL H . . 4.580 4.494 4.435 4.572 . 0 0 "[ . 1 . 2]" 1
1130 1 63 GLU H 1 96 VAL MG2 . . 5.370 5.242 5.111 5.388 0.018 18 0 "[ . 1 . 2]" 1
1131 1 63 GLU HA 1 63 GLU HG2 . . 4.180 3.349 2.606 3.649 . 0 0 "[ . 1 . 2]" 1
1132 1 63 GLU HA 1 63 GLU HG3 . . 3.980 2.736 2.612 3.403 . 0 0 "[ . 1 . 2]" 1
1133 1 63 GLU HA 1 64 HIS H . . 3.020 2.253 2.242 2.272 . 0 0 "[ . 1 . 2]" 1
1134 1 63 GLU HA 1 64 HIS HD2 . . 4.470 3.191 3.133 3.371 . 0 0 "[ . 1 . 2]" 1
1135 1 63 GLU HA 1 93 LEU MD1 . . 4.130 3.666 3.569 3.779 . 0 0 "[ . 1 . 2]" 1
1136 1 63 GLU HA 1 93 LEU MD2 . . 5.500 5.245 5.071 5.369 . 0 0 "[ . 1 . 2]" 1
1137 1 63 GLU HA 1 94 ILE MG . . 5.090 4.582 4.277 4.733 . 0 0 "[ . 1 . 2]" 1
1138 1 63 GLU HA 1 95 HIS HA . . 3.330 2.171 2.117 2.235 . 0 0 "[ . 1 . 2]" 1
1139 1 63 GLU HA 1 95 HIS HB2 . . 5.120 4.819 4.667 4.980 . 0 0 "[ . 1 . 2]" 1
1140 1 63 GLU HA 1 95 HIS HB3 . . 4.890 3.737 3.556 3.964 . 0 0 "[ . 1 . 2]" 1
1141 1 63 GLU HA 1 95 HIS HD2 . . 4.500 2.598 2.020 3.051 . 0 0 "[ . 1 . 2]" 1
1142 1 63 GLU HA 1 96 VAL H . . 3.860 3.194 3.057 3.328 . 0 0 "[ . 1 . 2]" 1
1143 1 63 GLU HA 1 96 VAL MG2 . . 5.500 4.408 4.263 4.515 . 0 0 "[ . 1 . 2]" 1
1144 1 63 GLU QB 1 63 GLU HG2 . . 2.790 2.304 2.203 2.525 . 0 0 "[ . 1 . 2]" 1
1145 1 63 GLU QB 1 64 HIS H . . 3.740 3.727 3.678 3.757 0.017 17 0 "[ . 1 . 2]" 1
1146 1 63 GLU QB 1 93 LEU MD1 . . 3.550 3.587 3.550 3.622 0.072 17 0 "[ . 1 . 2]" 1
1147 1 63 GLU QB 1 93 LEU HG . . 5.120 5.147 5.134 5.165 0.045 20 0 "[ . 1 . 2]" 1
1148 1 63 GLU QB 1 95 HIS HA . . 3.800 3.791 3.696 3.826 0.026 19 0 "[ . 1 . 2]" 1
1149 1 63 GLU QB 1 95 HIS HB2 . . 5.410 5.317 5.123 5.420 0.010 7 0 "[ . 1 . 2]" 1
1150 1 63 GLU QB 1 95 HIS HB3 . . 4.840 4.139 3.995 4.238 . 0 0 "[ . 1 . 2]" 1
1151 1 63 GLU QB 1 95 HIS HD2 . . 4.060 3.075 2.379 3.501 . 0 0 "[ . 1 . 2]" 1
1152 1 63 GLU QB 1 95 HIS HE1 . . 5.140 4.847 4.283 5.145 0.005 15 0 "[ . 1 . 2]" 1
1153 1 63 GLU QB 1 96 VAL H . . 4.690 4.643 4.457 4.703 0.013 4 0 "[ . 1 . 2]" 1
1154 1 63 GLU HG2 1 64 HIS H . . 3.900 3.270 2.373 3.732 . 0 0 "[ . 1 . 2]" 1
1155 1 63 GLU HG2 1 64 HIS HA . . 4.490 3.575 3.395 3.798 . 0 0 "[ . 1 . 2]" 1
1156 1 63 GLU HG2 1 95 HIS HA . . 5.500 5.107 3.990 5.512 0.012 1 0 "[ . 1 . 2]" 1
1157 1 63 GLU HG2 1 95 HIS HD2 . . 4.490 3.712 2.342 4.356 . 0 0 "[ . 1 . 2]" 1
1158 1 63 GLU HG3 1 93 LEU MD1 . . 3.710 1.916 1.861 2.277 . 0 0 "[ . 1 . 2]" 1
1159 1 63 GLU HG3 1 95 HIS HA . . 4.550 3.998 3.742 4.559 0.009 12 0 "[ . 1 . 2]" 1
1160 1 63 GLU HG3 1 95 HIS HD2 . . 4.460 2.239 1.995 2.679 . 0 0 "[ . 1 . 2]" 1
1161 1 64 HIS H 1 64 HIS HB2 . . 3.300 3.006 2.986 3.037 . 0 0 "[ . 1 . 2]" 1
1162 1 64 HIS H 1 64 HIS HD2 . . 3.610 2.937 2.864 3.092 . 0 0 "[ . 1 . 2]" 1
1163 1 64 HIS H 1 65 GLN H . . 4.540 4.301 4.281 4.339 . 0 0 "[ . 1 . 2]" 1
1164 1 64 HIS H 1 93 LEU HA . . 5.180 5.092 5.021 5.162 . 0 0 "[ . 1 . 2]" 1
1165 1 64 HIS H 1 93 LEU MD1 . . 3.380 2.753 2.590 2.892 . 0 0 "[ . 1 . 2]" 1
1166 1 64 HIS H 1 93 LEU HG . . 4.900 4.736 4.606 4.852 . 0 0 "[ . 1 . 2]" 1
1167 1 64 HIS H 1 94 ILE H . . 3.470 3.432 3.301 3.488 0.018 13 0 "[ . 1 . 2]" 1
1168 1 64 HIS H 1 94 ILE MG . . 3.210 2.977 2.697 3.132 . 0 0 "[ . 1 . 2]" 1
1169 1 64 HIS H 1 95 HIS HA . . 3.490 3.036 2.929 3.160 . 0 0 "[ . 1 . 2]" 1
1170 1 64 HIS H 1 96 VAL H . . 4.700 4.498 4.353 4.701 0.001 1 0 "[ . 1 . 2]" 1
1171 1 64 HIS HA 1 65 GLN H . . 3.270 2.266 2.227 2.388 . 0 0 "[ . 1 . 2]" 1
1172 1 64 HIS HA 1 93 LEU MD1 . . 4.550 3.954 3.829 4.048 . 0 0 "[ . 1 . 2]" 1
1173 1 64 HIS HA 1 94 ILE MG . . 5.500 4.283 4.133 4.400 . 0 0 "[ . 1 . 2]" 1
1174 1 64 HIS HB2 1 64 HIS HD2 . . 3.630 2.945 2.897 2.960 . 0 0 "[ . 1 . 2]" 1
1175 1 64 HIS HB2 1 65 GLN H . . 3.690 3.616 3.339 3.697 0.007 14 0 "[ . 1 . 2]" 1
1176 1 64 HIS HB2 1 94 ILE H . . 4.920 4.482 4.340 4.661 . 0 0 "[ . 1 . 2]" 1
1177 1 64 HIS HB2 1 94 ILE MG . . 3.620 2.437 2.281 2.619 . 0 0 "[ . 1 . 2]" 1
1178 1 64 HIS HD2 1 94 ILE MG . . 3.790 3.549 3.287 3.794 0.004 9 0 "[ . 1 . 2]" 1
1179 1 64 HIS HD2 1 95 HIS H . . 5.500 5.518 5.510 5.528 0.028 19 0 "[ . 1 . 2]" 1
1180 1 64 HIS HD2 1 95 HIS HA . . 4.420 3.392 3.275 3.599 . 0 0 "[ . 1 . 2]" 1
1181 1 64 HIS HD2 1 96 VAL H . . 3.960 3.191 2.989 3.503 . 0 0 "[ . 1 . 2]" 1
1182 1 64 HIS HD2 1 96 VAL HA . . 5.160 4.921 4.807 5.165 0.005 1 0 "[ . 1 . 2]" 1
1183 1 64 HIS HD2 1 96 VAL HB . . 3.680 3.328 3.210 3.490 . 0 0 "[ . 1 . 2]" 1
1184 1 64 HIS HD2 1 96 VAL MG2 . . 2.650 2.137 1.980 2.450 . 0 0 "[ . 1 . 2]" 1
1185 1 64 HIS HE2 1 96 VAL HB . . 5.500 2.703 2.530 2.956 . 0 0 "[ . 1 . 2]" 1
1186 1 64 HIS HE2 1 96 VAL MG2 . . 4.950 2.802 2.530 3.229 . 0 0 "[ . 1 . 2]" 1
1187 1 65 GLN H 1 65 GLN HB2 . . 3.590 2.303 2.235 2.388 . 0 0 "[ . 1 . 2]" 1
1188 1 65 GLN H 1 65 GLN HB3 . . 3.870 3.561 3.509 3.623 . 0 0 "[ . 1 . 2]" 1
1189 1 65 GLN H 1 65 GLN HE21 . . 5.300 5.035 4.518 5.220 . 0 0 "[ . 1 . 2]" 1
1190 1 65 GLN H 1 65 GLN HG2 . . 4.250 3.187 3.001 3.799 . 0 0 "[ . 1 . 2]" 1
1191 1 65 GLN H 1 65 GLN QG . . 3.500 3.021 2.857 3.312 . 0 0 "[ . 1 . 2]" 1
1192 1 65 GLN H 1 65 GLN HG3 . . 4.250 3.884 3.367 4.170 . 0 0 "[ . 1 . 2]" 1
1193 1 65 GLN H 1 66 TYR HA . . 5.500 5.337 5.250 5.384 . 0 0 "[ . 1 . 2]" 1
1194 1 65 GLN H 1 93 LEU HA . . 5.500 5.203 5.090 5.279 . 0 0 "[ . 1 . 2]" 1
1195 1 65 GLN H 1 93 LEU MD1 . . 4.360 4.073 3.967 4.137 . 0 0 "[ . 1 . 2]" 1
1196 1 65 GLN H 1 94 ILE MG . . 4.300 4.195 4.018 4.307 0.007 8 0 "[ . 1 . 2]" 1
1197 1 65 GLN HA 1 65 GLN HE21 . . 5.100 2.984 1.972 3.520 . 0 0 "[ . 1 . 2]" 1
1198 1 65 GLN HA 1 65 GLN HE22 . . 5.220 3.876 3.668 4.640 . 0 0 "[ . 1 . 2]" 1
1199 1 65 GLN HA 1 65 GLN QG . . 3.390 2.515 2.102 2.713 . 0 0 "[ . 1 . 2]" 1
1200 1 65 GLN HA 1 66 TYR H . . 2.980 2.347 2.315 2.404 . 0 0 "[ . 1 . 2]" 1
1201 1 65 GLN HA 1 66 TYR QD . . 3.750 3.076 2.964 3.143 . 0 0 "[ . 1 . 2]" 1
1202 1 65 GLN HA 1 93 LEU HA . . 3.090 2.474 2.352 2.560 . 0 0 "[ . 1 . 2]" 1
1203 1 65 GLN HA 1 93 LEU HB2 . . 4.350 4.193 4.065 4.293 . 0 0 "[ . 1 . 2]" 1
1204 1 65 GLN HA 1 93 LEU MD1 . . 3.110 2.654 2.563 2.802 . 0 0 "[ . 1 . 2]" 1
1205 1 65 GLN HA 1 93 LEU HG . . 5.450 5.150 4.984 5.243 . 0 0 "[ . 1 . 2]" 1
1206 1 65 GLN HA 1 94 ILE H . . 3.830 2.991 2.893 3.097 . 0 0 "[ . 1 . 2]" 1
1207 1 65 GLN HB2 1 65 GLN HE21 . . 4.820 3.534 3.441 3.700 . 0 0 "[ . 1 . 2]" 1
1208 1 65 GLN HB2 1 65 GLN HE22 . . 5.060 4.790 4.604 4.840 . 0 0 "[ . 1 . 2]" 1
1209 1 65 GLN HB2 1 66 TYR H . . 4.160 3.915 3.796 4.003 . 0 0 "[ . 1 . 2]" 1
1210 1 65 GLN HB2 1 91 ASN HD21 . . 5.500 5.487 5.394 5.532 0.032 4 0 "[ . 1 . 2]" 1
1211 1 65 GLN HB3 1 65 GLN HE21 . . 3.690 2.064 1.934 2.382 . 0 0 "[ . 1 . 2]" 1
1212 1 65 GLN HB3 1 65 GLN HE22 . . 4.460 3.398 3.258 3.463 . 0 0 "[ . 1 . 2]" 1
1213 1 65 GLN HB3 1 66 TYR H . . 3.230 2.603 2.447 2.706 . 0 0 "[ . 1 . 2]" 1
1214 1 65 GLN HB3 1 93 LEU HA . . 4.760 4.545 4.332 4.712 . 0 0 "[ . 1 . 2]" 1
1215 1 65 GLN HE21 1 66 TYR QD . . 5.260 4.785 3.857 5.271 0.011 8 0 "[ . 1 . 2]" 1
1216 1 65 GLN HE21 1 83 VAL MG1 . . 4.320 4.015 3.464 4.330 0.010 8 0 "[ . 1 . 2]" 1
1217 1 65 GLN HE21 1 83 VAL MG2 . . 4.040 3.007 2.786 3.295 . 0 0 "[ . 1 . 2]" 1
1218 1 65 GLN HE21 1 92 ASN H . . 5.180 3.725 3.244 4.079 . 0 0 "[ . 1 . 2]" 1
1219 1 65 GLN HE21 1 93 LEU MD1 . . 4.790 4.067 2.899 4.676 . 0 0 "[ . 1 . 2]" 1
1220 1 65 GLN HE22 1 83 VAL H . . 4.630 4.200 3.994 4.639 0.009 11 0 "[ . 1 . 2]" 1
1221 1 65 GLN HE22 1 83 VAL MG1 . . 3.940 2.921 2.356 3.672 . 0 0 "[ . 1 . 2]" 1
1222 1 65 GLN HE22 1 83 VAL MG2 . . 3.870 1.877 1.839 1.987 . 0 0 "[ . 1 . 2]" 1
1223 1 65 GLN HE22 1 91 ASN QB . . 4.610 2.322 1.882 2.955 . 0 0 "[ . 1 . 2]" 1
1224 1 65 GLN QG 1 66 TYR H . . 4.710 4.039 3.602 4.180 . 0 0 "[ . 1 . 2]" 1
1225 1 65 GLN QG 1 83 VAL MG1 . . 4.580 4.148 3.481 4.332 . 0 0 "[ . 1 . 2]" 1
1226 1 65 GLN QG 1 93 LEU HA . . 4.390 3.787 2.984 4.119 . 0 0 "[ . 1 . 2]" 1
1227 1 65 GLN QG 1 93 LEU MD1 . . 3.610 2.608 2.079 2.914 . 0 0 "[ . 1 . 2]" 1
1228 1 65 GLN HG2 1 93 LEU MD1 . . 4.260 2.647 2.097 2.972 . 0 0 "[ . 1 . 2]" 1
1229 1 65 GLN HG3 1 93 LEU MD1 . . 4.260 3.964 3.411 4.197 . 0 0 "[ . 1 . 2]" 1
1230 1 66 TYR H 1 66 TYR QD . . 3.460 2.583 2.465 2.651 . 0 0 "[ . 1 . 2]" 1
1231 1 66 TYR H 1 66 TYR QE . . 4.760 4.452 4.372 4.493 . 0 0 "[ . 1 . 2]" 1
1232 1 66 TYR H 1 67 LYS H . . 4.370 4.362 4.355 4.369 . 0 0 "[ . 1 . 2]" 1
1233 1 66 TYR H 1 91 ASN QB . . 4.210 3.992 3.709 4.236 0.026 17 0 "[ . 1 . 2]" 1
1234 1 66 TYR H 1 91 ASN HD21 . . 5.350 5.184 4.872 5.355 0.005 15 0 "[ . 1 . 2]" 1
1235 1 66 TYR H 1 92 ASN H . . 3.510 3.500 3.328 3.552 0.042 17 0 "[ . 1 . 2]" 1
1236 1 66 TYR H 1 92 ASN HB2 . . 4.420 3.661 3.416 3.796 . 0 0 "[ . 1 . 2]" 1
1237 1 66 TYR H 1 93 LEU HA . . 4.020 3.376 3.316 3.448 . 0 0 "[ . 1 . 2]" 1
1238 1 66 TYR H 1 93 LEU MD1 . . 4.570 4.409 4.295 4.546 . 0 0 "[ . 1 . 2]" 1
1239 1 66 TYR H 1 94 ILE H . . 4.490 4.327 4.217 4.494 0.004 1 0 "[ . 1 . 2]" 1
1240 1 66 TYR H 1 94 ILE MG . . 4.400 3.968 3.878 4.136 . 0 0 "[ . 1 . 2]" 1
1241 1 66 TYR HA 1 67 LYS H . . 3.230 2.459 2.418 2.569 . 0 0 "[ . 1 . 2]" 1
1242 1 66 TYR HA 1 67 LYS HA . . 4.910 4.528 4.514 4.599 . 0 0 "[ . 1 . 2]" 1
1243 1 66 TYR HA 1 67 LYS QB . . 4.340 3.935 3.810 4.197 . 0 0 "[ . 1 . 2]" 1
1244 1 66 TYR QB 1 67 LYS H . . 3.240 2.403 2.225 2.475 . 0 0 "[ . 1 . 2]" 1
1245 1 66 TYR QB 1 94 ILE H . . 5.400 4.654 4.523 4.829 . 0 0 "[ . 1 . 2]" 1
1246 1 66 TYR QB 1 94 ILE MG . . 4.160 2.730 2.565 2.911 . 0 0 "[ . 1 . 2]" 1
1247 1 66 TYR QD 1 67 LYS H . . 3.630 3.066 2.785 3.277 . 0 0 "[ . 1 . 2]" 1
1248 1 66 TYR QD 1 67 LYS HA . . 4.940 3.881 3.742 3.983 . 0 0 "[ . 1 . 2]" 1
1249 1 66 TYR QD 1 68 PHE QE . . 4.680 4.353 4.212 4.465 . 0 0 "[ . 1 . 2]" 1
1250 1 66 TYR QD 1 68 PHE HZ . . 5.500 4.745 4.542 4.880 . 0 0 "[ . 1 . 2]" 1
1251 1 66 TYR QD 1 92 ASN HB3 . . 4.390 4.003 3.892 4.135 . 0 0 "[ . 1 . 2]" 1
1252 1 66 TYR QD 1 93 LEU H . . 4.880 4.336 4.267 4.380 . 0 0 "[ . 1 . 2]" 1
1253 1 66 TYR QD 1 93 LEU HA . . 3.330 2.967 2.933 3.011 . 0 0 "[ . 1 . 2]" 1
1254 1 66 TYR QD 1 93 LEU HB3 . . 5.500 5.530 5.512 5.549 0.049 13 0 "[ . 1 . 2]" 1
1255 1 66 TYR QD 1 94 ILE H . . 4.100 2.794 2.659 2.994 . 0 0 "[ . 1 . 2]" 1
1256 1 66 TYR QD 1 94 ILE HB . . 3.800 3.007 2.884 3.100 . 0 0 "[ . 1 . 2]" 1
1257 1 66 TYR QD 1 94 ILE MG . . 3.020 2.109 1.976 2.317 . 0 0 "[ . 1 . 2]" 1
1258 1 66 TYR QE 1 67 LYS H . . 5.180 5.022 4.772 5.189 0.009 13 0 "[ . 1 . 2]" 1
1259 1 66 TYR QE 1 68 PHE QD . . 4.190 3.945 3.724 4.200 0.010 11 0 "[ . 1 . 2]" 1
1260 1 66 TYR QE 1 68 PHE QE . . 3.160 2.860 2.678 3.166 0.006 2 0 "[ . 1 . 2]" 1
1261 1 66 TYR QE 1 68 PHE HZ . . 3.190 2.896 2.717 3.075 . 0 0 "[ . 1 . 2]" 1
1262 1 66 TYR QE 1 92 ASN HA . . 4.470 4.145 4.077 4.229 . 0 0 "[ . 1 . 2]" 1
1263 1 66 TYR QE 1 92 ASN HB2 . . 3.670 3.049 2.948 3.135 . 0 0 "[ . 1 . 2]" 1
1264 1 66 TYR QE 1 93 LEU H . . 3.540 3.100 2.943 3.193 . 0 0 "[ . 1 . 2]" 1
1265 1 66 TYR QE 1 93 LEU HA . . 3.800 3.415 3.362 3.462 . 0 0 "[ . 1 . 2]" 1
1266 1 66 TYR QE 1 93 LEU HB3 . . 5.500 4.660 4.605 4.700 . 0 0 "[ . 1 . 2]" 1
1267 1 66 TYR QE 1 93 LEU MD1 . . 5.000 4.713 4.613 4.828 . 0 0 "[ . 1 . 2]" 1
1268 1 66 TYR QE 1 94 ILE HA . . 4.270 3.359 3.175 3.533 . 0 0 "[ . 1 . 2]" 1
1269 1 66 TYR QE 1 94 ILE HB . . 2.970 2.477 2.400 2.566 . 0 0 "[ . 1 . 2]" 1
1270 1 66 TYR QE 1 94 ILE MD . . 3.840 3.691 3.617 3.769 . 0 0 "[ . 1 . 2]" 1
1271 1 66 TYR QE 1 94 ILE QG . . 4.670 4.439 4.362 4.564 . 0 0 "[ . 1 . 2]" 1
1272 1 66 TYR QE 1 94 ILE MG . . 4.000 3.313 3.207 3.534 . 0 0 "[ . 1 . 2]" 1
1273 1 67 LYS H 1 68 PHE H . . 4.820 4.388 4.317 4.402 . 0 0 "[ . 1 . 2]" 1
1274 1 67 LYS HA 1 68 PHE QD . . 4.610 4.341 4.196 4.446 . 0 0 "[ . 1 . 2]" 1
1275 1 67 LYS HA 1 68 PHE QE . . 5.500 5.473 5.221 5.530 0.030 1 0 "[ . 1 . 2]" 1
1276 1 67 LYS HA 1 76 HIS HA . . 5.120 4.963 4.562 5.141 0.021 1 0 "[ . 1 . 2]" 1
1277 1 67 LYS HA 1 92 ASN HD21 . . 5.340 4.869 4.646 5.041 . 0 0 "[ . 1 . 2]" 1
1278 1 67 LYS QB 1 68 PHE H . . 4.240 2.765 2.183 3.530 . 0 0 "[ . 1 . 2]" 1
1279 1 68 PHE H 1 68 PHE HB2 . . 4.080 2.394 2.309 2.519 . 0 0 "[ . 1 . 2]" 1
1280 1 68 PHE H 1 68 PHE QD . . 3.840 3.446 3.048 3.587 . 0 0 "[ . 1 . 2]" 1
1281 1 68 PHE H 1 68 PHE QE . . 5.340 5.261 4.899 5.388 0.048 11 0 "[ . 1 . 2]" 1
1282 1 68 PHE H 1 69 PHE H . . 5.050 4.513 4.442 4.592 . 0 0 "[ . 1 . 2]" 1
1283 1 68 PHE H 1 75 VAL H . . 4.340 3.907 3.604 4.054 . 0 0 "[ . 1 . 2]" 1
1284 1 68 PHE HA 1 68 PHE QD . . 3.490 2.345 2.235 2.479 . 0 0 "[ . 1 . 2]" 1
1285 1 68 PHE HA 1 68 PHE QE . . 4.470 4.320 4.278 4.385 . 0 0 "[ . 1 . 2]" 1
1286 1 68 PHE HA 1 69 PHE H . . 3.320 2.245 2.183 2.265 . 0 0 "[ . 1 . 2]" 1
1287 1 68 PHE HA 1 70 VAL MG2 . . 4.790 4.609 4.515 4.670 . 0 0 "[ . 1 . 2]" 1
1288 1 68 PHE HA 1 75 VAL MG2 . . 5.220 4.413 4.018 4.615 . 0 0 "[ . 1 . 2]" 1
1289 1 68 PHE HB2 1 69 PHE H . . 4.590 4.094 4.037 4.244 . 0 0 "[ . 1 . 2]" 1
1290 1 68 PHE HB2 1 70 VAL MG2 . . 4.280 4.119 3.983 4.255 . 0 0 "[ . 1 . 2]" 1
1291 1 68 PHE HB2 1 75 VAL H . . 4.440 3.640 3.359 3.881 . 0 0 "[ . 1 . 2]" 1
1292 1 68 PHE HB2 1 75 VAL MG2 . . 3.690 2.378 1.967 2.636 . 0 0 "[ . 1 . 2]" 1
1293 1 68 PHE HB3 1 69 PHE H . . 3.940 2.894 2.822 3.134 . 0 0 "[ . 1 . 2]" 1
1294 1 68 PHE HB3 1 70 VAL MG2 . . 3.970 2.923 2.853 2.987 . 0 0 "[ . 1 . 2]" 1
1295 1 68 PHE HB3 1 75 VAL MG2 . . 4.520 2.509 2.296 2.695 . 0 0 "[ . 1 . 2]" 1
1296 1 68 PHE QD 1 69 PHE H . . 4.340 3.193 3.082 3.285 . 0 0 "[ . 1 . 2]" 1
1297 1 68 PHE QD 1 75 VAL H . . 5.490 5.329 5.086 5.546 0.056 11 0 "[ . 1 . 2]" 1
1298 1 68 PHE QD 1 76 HIS H . . 5.500 5.271 4.841 5.430 . 0 0 "[ . 1 . 2]" 1
1299 1 68 PHE QD 1 76 HIS HA . . 3.310 3.057 2.634 3.330 0.020 13 0 "[ . 1 . 2]" 1
1300 1 68 PHE QD 1 77 ASP H . . 4.120 3.340 3.010 3.682 . 0 0 "[ . 1 . 2]" 1
1301 1 68 PHE QE 1 69 PHE H . . 5.500 5.462 5.353 5.546 0.046 11 0 "[ . 1 . 2]" 1
1302 1 68 PHE QE 1 77 ASP H . . 4.220 3.870 3.462 4.235 0.015 20 0 "[ . 1 . 2]" 1
1303 1 68 PHE QE 1 77 ASP HA . . 4.770 4.522 4.158 4.780 0.010 12 0 "[ . 1 . 2]" 1
1304 1 68 PHE QE 1 77 ASP HB2 . . 3.980 2.678 1.995 3.715 . 0 0 "[ . 1 . 2]" 1
1305 1 68 PHE QE 1 77 ASP QB . . 3.380 2.138 1.979 2.332 . 0 0 "[ . 1 . 2]" 1
1306 1 68 PHE QE 1 77 ASP HB3 . . 3.980 2.711 1.995 3.582 . 0 0 "[ . 1 . 2]" 1
1307 1 68 PHE QE 1 92 ASN HD22 . . 5.380 5.030 4.781 5.390 0.010 13 0 "[ . 1 . 2]" 1
1308 1 69 PHE H 1 70 VAL MG2 . . 4.290 3.426 3.296 3.542 . 0 0 "[ . 1 . 2]" 1
1309 1 69 PHE H 1 75 VAL MG2 . . 4.500 4.182 3.876 4.509 0.009 17 0 "[ . 1 . 2]" 1
1310 1 69 PHE HA 1 69 PHE QD . . 3.940 2.170 2.135 2.200 . 0 0 "[ . 1 . 2]" 1
1311 1 69 PHE HA 1 70 VAL H . . 3.370 2.165 2.162 2.167 . 0 0 "[ . 1 . 2]" 1
1312 1 69 PHE HA 1 70 VAL MG2 . . 5.230 3.804 3.704 3.882 . 0 0 "[ . 1 . 2]" 1
1313 1 69 PHE HA 1 74 TRP HA . . 4.400 3.280 2.967 3.454 . 0 0 "[ . 1 . 2]" 1
1314 1 69 PHE HA 1 75 VAL H . . 4.390 3.849 3.634 4.093 . 0 0 "[ . 1 . 2]" 1
1315 1 69 PHE QB 1 70 VAL H . . 4.160 3.887 3.874 3.896 . 0 0 "[ . 1 . 2]" 1
1316 1 69 PHE QD 1 70 VAL H . . 3.900 3.848 3.789 3.910 0.010 12 0 "[ . 1 . 2]" 1
1317 1 69 PHE QD 1 72 GLY H . . 4.160 4.066 3.972 4.167 0.007 14 0 "[ . 1 . 2]" 1
1318 1 69 PHE QD 1 73 GLN H . . 4.380 4.319 4.165 4.384 0.004 6 0 "[ . 1 . 2]" 1
1319 1 69 PHE QD 1 74 TRP HE1 . . 5.500 5.320 4.984 5.502 0.002 1 0 "[ . 1 . 2]" 1
1320 1 69 PHE QE 1 70 VAL H . . 5.470 5.179 5.125 5.237 . 0 0 "[ . 1 . 2]" 1
1321 1 69 PHE QE 1 72 GLY H . . 4.420 4.153 4.032 4.303 . 0 0 "[ . 1 . 2]" 1
1322 1 69 PHE QE 1 72 GLY HA2 . . 4.150 2.575 2.421 2.742 . 0 0 "[ . 1 . 2]" 1
1323 1 69 PHE QE 1 72 GLY QA . . 3.640 2.542 2.395 2.694 . 0 0 "[ . 1 . 2]" 1
1324 1 69 PHE QE 1 72 GLY HA3 . . 4.150 3.922 3.808 3.974 . 0 0 "[ . 1 . 2]" 1
1325 1 69 PHE QE 1 73 GLN HA . . 4.190 3.844 3.495 4.077 . 0 0 "[ . 1 . 2]" 1
1326 1 69 PHE QE 1 74 TRP H . . 4.500 4.191 3.826 4.502 0.002 13 0 "[ . 1 . 2]" 1
1327 1 69 PHE QE 1 74 TRP HE1 . . 4.910 3.307 2.873 3.639 . 0 0 "[ . 1 . 2]" 1
1328 1 69 PHE HZ 1 72 GLY HA2 . . 4.340 3.036 2.755 3.368 . 0 0 "[ . 1 . 2]" 1
1329 1 69 PHE HZ 1 72 GLY QA . . 3.750 2.960 2.702 3.260 . 0 0 "[ . 1 . 2]" 1
1330 1 69 PHE HZ 1 72 GLY HA3 . . 4.340 4.114 3.876 4.350 0.010 11 0 "[ . 1 . 2]" 1
1331 1 70 VAL H 1 70 VAL HB . . 3.300 2.742 2.710 2.767 . 0 0 "[ . 1 . 2]" 1
1332 1 70 VAL H 1 70 VAL MG1 . . 4.040 3.896 3.883 3.904 . 0 0 "[ . 1 . 2]" 1
1333 1 70 VAL H 1 70 VAL MG2 . . 3.410 2.722 2.590 2.830 . 0 0 "[ . 1 . 2]" 1
1334 1 70 VAL H 1 71 ASP H . . 4.420 4.364 4.317 4.408 . 0 0 "[ . 1 . 2]" 1
1335 1 70 VAL H 1 72 GLY H . . 4.740 4.393 4.084 4.592 . 0 0 "[ . 1 . 2]" 1
1336 1 70 VAL H 1 73 GLN H . . 3.290 3.089 2.879 3.228 . 0 0 "[ . 1 . 2]" 1
1337 1 70 VAL H 1 73 GLN HB2 . . 4.480 4.159 3.942 4.338 . 0 0 "[ . 1 . 2]" 1
1338 1 70 VAL H 1 75 VAL H . . 4.230 4.206 4.034 4.252 0.022 13 0 "[ . 1 . 2]" 1
1339 1 70 VAL H 1 75 VAL MG2 . . 3.430 2.850 2.619 3.061 . 0 0 "[ . 1 . 2]" 1
1340 1 70 VAL HA 1 70 VAL MG1 . . 3.420 2.275 2.242 2.336 . 0 0 "[ . 1 . 2]" 1
1341 1 70 VAL HA 1 70 VAL MG2 . . 3.710 2.383 2.340 2.440 . 0 0 "[ . 1 . 2]" 1
1342 1 70 VAL HA 1 71 ASP H . . 2.920 2.162 2.148 2.180 . 0 0 "[ . 1 . 2]" 1
1343 1 70 VAL HA 1 73 GLN H . . 4.490 4.300 4.230 4.346 . 0 0 "[ . 1 . 2]" 1
1344 1 70 VAL HB 1 71 ASP H . . 4.320 4.059 3.990 4.130 . 0 0 "[ . 1 . 2]" 1
1345 1 70 VAL HB 1 73 GLN H . . 4.630 4.425 4.262 4.535 . 0 0 "[ . 1 . 2]" 1
1346 1 70 VAL HB 1 75 VAL MG1 . . 3.830 3.293 3.034 3.451 . 0 0 "[ . 1 . 2]" 1
1347 1 70 VAL HB 1 75 VAL MG2 . . 4.020 2.834 2.504 3.136 . 0 0 "[ . 1 . 2]" 1
1348 1 70 VAL MG1 1 71 ASP H . . 3.390 2.265 2.134 2.410 . 0 0 "[ . 1 . 2]" 1
1349 1 70 VAL MG1 1 71 ASP HB2 . . 4.480 3.015 2.661 3.551 . 0 0 "[ . 1 . 2]" 1
1350 1 70 VAL MG1 1 71 ASP QB . . 3.880 2.934 2.607 3.382 . 0 0 "[ . 1 . 2]" 1
1351 1 70 VAL MG1 1 71 ASP HB3 . . 4.480 4.042 3.646 4.354 . 0 0 "[ . 1 . 2]" 1
1352 1 70 VAL MG1 1 73 GLN H . . 4.780 4.738 4.645 4.779 . 0 0 "[ . 1 . 2]" 1
1353 1 70 VAL MG1 1 75 VAL MG1 . . 4.240 4.199 4.076 4.249 0.009 3 0 "[ . 1 . 2]" 1
1354 1 70 VAL MG2 1 71 ASP H . . 4.340 4.084 4.045 4.127 . 0 0 "[ . 1 . 2]" 1
1355 1 70 VAL MG2 1 73 GLN H . . 5.220 5.039 4.914 5.126 . 0 0 "[ . 1 . 2]" 1
1356 1 70 VAL MG2 1 74 TRP HA . . 5.500 5.394 5.204 5.510 0.010 6 0 "[ . 1 . 2]" 1
1357 1 70 VAL MG2 1 75 VAL H . . 4.720 4.584 4.353 4.728 0.008 11 0 "[ . 1 . 2]" 1
1358 1 70 VAL MG2 1 75 VAL MG1 . . 3.730 3.579 3.194 3.738 0.008 4 0 "[ . 1 . 2]" 1
1359 1 70 VAL MG2 1 75 VAL MG2 . . 3.140 2.058 1.911 2.259 . 0 0 "[ . 1 . 2]" 1
1360 1 71 ASP H 1 71 ASP HA . . 2.890 2.279 2.278 2.280 . 0 0 "[ . 1 . 2]" 1
1361 1 71 ASP H 1 71 ASP QB . . 3.620 3.089 2.857 3.364 . 0 0 "[ . 1 . 2]" 1
1362 1 71 ASP H 1 72 GLY H . . 3.670 2.821 2.728 2.857 . 0 0 "[ . 1 . 2]" 1
1363 1 71 ASP H 1 72 GLY HA2 . . 5.500 5.087 5.024 5.105 . 0 0 "[ . 1 . 2]" 1
1364 1 71 ASP H 1 72 GLY QA . . 4.780 4.655 4.592 4.675 . 0 0 "[ . 1 . 2]" 1
1365 1 71 ASP H 1 72 GLY HA3 . . 5.500 5.394 5.313 5.423 . 0 0 "[ . 1 . 2]" 1
1366 1 71 ASP H 1 73 GLN H . . 4.230 4.160 4.086 4.232 0.002 7 0 "[ . 1 . 2]" 1
1367 1 71 ASP HA 1 72 GLY H . . 3.440 2.789 2.727 2.926 . 0 0 "[ . 1 . 2]" 1
1368 1 71 ASP HA 1 73 GLN H . . 4.580 4.404 4.290 4.552 . 0 0 "[ . 1 . 2]" 1
1369 1 71 ASP QB 1 72 GLY H . . 4.260 3.876 3.801 3.916 . 0 0 "[ . 1 . 2]" 1
1370 1 71 ASP HB2 1 72 GLY H . . 4.910 4.396 4.217 4.589 . 0 0 "[ . 1 . 2]" 1
1371 1 71 ASP HB2 1 73 GLN H . . 4.860 4.258 3.636 4.861 0.001 12 0 "[ . 1 . 2]" 1
1372 1 71 ASP HB3 1 72 GLY H . . 4.910 4.333 4.094 4.506 . 0 0 "[ . 1 . 2]" 1
1373 1 71 ASP HB3 1 73 GLN H . . 4.860 4.272 3.662 4.854 . 0 0 "[ . 1 . 2]" 1
1374 1 72 GLY H 1 73 GLN H . . 3.160 2.710 2.602 2.749 . 0 0 "[ . 1 . 2]" 1
1375 1 72 GLY H 1 73 GLN HA . . 5.360 5.330 5.246 5.360 . 0 0 "[ . 1 . 2]" 1
1376 1 72 GLY H 1 73 GLN HB2 . . 5.500 4.831 4.727 4.970 . 0 0 "[ . 1 . 2]" 1
1377 1 73 GLN H 1 73 GLN HB2 . . 3.200 2.531 2.448 2.628 . 0 0 "[ . 1 . 2]" 1
1378 1 73 GLN H 1 73 GLN QG . . 3.870 3.408 3.056 3.571 . 0 0 "[ . 1 . 2]" 1
1379 1 73 GLN H 1 74 TRP H . . 4.680 4.452 4.392 4.489 . 0 0 "[ . 1 . 2]" 1
1380 1 73 GLN H 1 75 VAL MG1 . . 5.210 4.878 4.666 5.075 . 0 0 "[ . 1 . 2]" 1
1381 1 73 GLN H 1 75 VAL MG2 . . 5.340 5.055 4.736 5.345 0.005 15 0 "[ . 1 . 2]" 1
1382 1 73 GLN HA 1 73 GLN QE . . 4.660 3.612 2.604 4.600 . 0 0 "[ . 1 . 2]" 1
1383 1 73 GLN HA 1 73 GLN HG2 . . 3.890 2.462 2.143 3.038 . 0 0 "[ . 1 . 2]" 1
1384 1 73 GLN HA 1 73 GLN HG3 . . 3.890 3.299 3.059 3.663 . 0 0 "[ . 1 . 2]" 1
1385 1 73 GLN HA 1 74 TRP H . . 2.720 2.321 2.217 2.460 . 0 0 "[ . 1 . 2]" 1
1386 1 73 GLN HA 1 74 TRP HA . . 4.620 4.347 4.328 4.376 . 0 0 "[ . 1 . 2]" 1
1387 1 73 GLN HB2 1 73 GLN QE . . 4.230 3.015 2.274 3.600 . 0 0 "[ . 1 . 2]" 1
1388 1 73 GLN HB2 1 73 GLN HE22 . . 4.910 4.368 3.751 4.867 . 0 0 "[ . 1 . 2]" 1
1389 1 73 GLN HB2 1 74 TRP H . . 4.100 3.986 3.614 4.105 0.005 7 0 "[ . 1 . 2]" 1
1390 1 73 GLN HB2 1 75 VAL MG1 . . 3.830 3.716 3.475 3.837 0.007 13 0 "[ . 1 . 2]" 1
1391 1 73 GLN HB3 1 74 TRP H . . 3.660 2.702 2.295 2.963 . 0 0 "[ . 1 . 2]" 1
1392 1 73 GLN HB3 1 75 VAL H . . 5.500 5.394 5.269 5.503 0.003 19 0 "[ . 1 . 2]" 1
1393 1 73 GLN HB3 1 75 VAL MG1 . . 3.830 3.178 3.106 3.365 . 0 0 "[ . 1 . 2]" 1
1394 1 73 GLN QE 1 75 VAL MG1 . . 4.370 4.076 3.775 4.371 0.001 5 0 "[ . 1 . 2]" 1
1395 1 73 GLN QG 1 74 TRP H . . 4.490 3.732 3.298 4.421 . 0 0 "[ . 1 . 2]" 1
1396 1 73 GLN QG 1 75 VAL MG1 . . 4.840 4.740 4.513 4.861 0.021 11 0 "[ . 1 . 2]" 1
1397 1 73 GLN HG2 1 75 VAL MG1 . . 5.500 5.435 5.348 5.508 0.008 20 0 "[ . 1 . 2]" 1
1398 1 73 GLN HG3 1 75 VAL MG1 . . 5.500 5.258 4.799 5.503 0.003 11 0 "[ . 1 . 2]" 1
1399 1 74 TRP H 1 74 TRP HB2 . . 3.450 2.564 2.496 2.640 . 0 0 "[ . 1 . 2]" 1
1400 1 74 TRP H 1 74 TRP HB3 . . 3.690 3.657 3.622 3.704 0.014 6 0 "[ . 1 . 2]" 1
1401 1 74 TRP H 1 74 TRP HD1 . . 3.370 2.486 2.066 2.882 . 0 0 "[ . 1 . 2]" 1
1402 1 74 TRP H 1 74 TRP HE1 . . 5.170 4.619 4.368 4.979 . 0 0 "[ . 1 . 2]" 1
1403 1 74 TRP H 1 75 VAL H . . 4.610 4.487 4.423 4.531 . 0 0 "[ . 1 . 2]" 1
1404 1 74 TRP H 1 75 VAL MG1 . . 4.340 4.022 3.772 4.141 . 0 0 "[ . 1 . 2]" 1
1405 1 74 TRP H 1 75 VAL MG2 . . 5.320 5.092 4.945 5.245 . 0 0 "[ . 1 . 2]" 1
1406 1 74 TRP HA 1 74 TRP HE3 . . 3.880 3.184 2.876 3.722 . 0 0 "[ . 1 . 2]" 1
1407 1 74 TRP HA 1 75 VAL H . . 3.070 2.154 2.145 2.165 . 0 0 "[ . 1 . 2]" 1
1408 1 74 TRP HB2 1 75 VAL H . . 4.350 4.141 4.031 4.202 . 0 0 "[ . 1 . 2]" 1
1409 1 74 TRP HB3 1 74 TRP HE3 . . 3.620 2.563 2.425 2.666 . 0 0 "[ . 1 . 2]" 1
1410 1 74 TRP HB3 1 75 VAL H . . 3.980 3.293 3.207 3.378 . 0 0 "[ . 1 . 2]" 1
1411 1 74 TRP HE3 1 75 VAL H . . 4.430 4.163 3.854 4.477 0.047 11 0 "[ . 1 . 2]" 1
1412 1 75 VAL H 1 75 VAL HB . . 4.050 3.865 3.828 3.889 . 0 0 "[ . 1 . 2]" 1
1413 1 75 VAL H 1 75 VAL MG1 . . 3.650 3.141 3.007 3.218 . 0 0 "[ . 1 . 2]" 1
1414 1 75 VAL H 1 75 VAL MG2 . . 3.290 2.300 2.241 2.358 . 0 0 "[ . 1 . 2]" 1
1415 1 75 VAL H 1 76 HIS H . . 4.520 4.399 4.352 4.422 . 0 0 "[ . 1 . 2]" 1
1416 1 75 VAL HA 1 75 VAL MG1 . . 3.250 2.298 2.228 2.375 . 0 0 "[ . 1 . 2]" 1
1417 1 75 VAL HA 1 75 VAL MG2 . . 3.700 3.199 3.192 3.204 . 0 0 "[ . 1 . 2]" 1
1418 1 75 VAL HA 1 76 HIS H . . 2.830 2.316 2.213 2.516 . 0 0 "[ . 1 . 2]" 1
1419 1 75 VAL HB 1 76 HIS H . . 3.090 2.609 2.137 2.930 . 0 0 "[ . 1 . 2]" 1
1420 1 75 VAL MG1 1 76 HIS H . . 3.820 3.632 3.506 3.760 . 0 0 "[ . 1 . 2]" 1
1421 1 75 VAL MG1 1 76 HIS HA . . 5.500 5.476 5.411 5.518 0.018 6 0 "[ . 1 . 2]" 1
1422 1 75 VAL MG2 1 76 HIS H . . 4.050 3.662 3.237 3.878 . 0 0 "[ . 1 . 2]" 1
1423 1 75 VAL MG2 1 76 HIS HA . . 4.360 3.962 3.629 4.145 . 0 0 "[ . 1 . 2]" 1
1424 1 76 HIS H 1 76 HIS HB2 . . 3.950 3.783 3.738 3.914 . 0 0 "[ . 1 . 2]" 1
1425 1 76 HIS H 1 76 HIS HB3 . . 3.680 2.858 2.746 3.109 . 0 0 "[ . 1 . 2]" 1
1426 1 76 HIS H 1 76 HIS HD2 . . 4.890 4.793 4.712 4.865 . 0 0 "[ . 1 . 2]" 1
1427 1 76 HIS H 1 77 ASP H . . 4.670 4.499 4.415 4.532 . 0 0 "[ . 1 . 2]" 1
1428 1 76 HIS H 1 90 ILE MG . . 5.160 4.779 4.592 5.028 . 0 0 "[ . 1 . 2]" 1
1429 1 76 HIS HA 1 76 HIS HD2 . . 4.470 4.472 4.430 4.495 0.025 13 0 "[ . 1 . 2]" 1
1430 1 76 HIS HA 1 77 ASP H . . 3.240 2.385 2.326 2.465 . 0 0 "[ . 1 . 2]" 1
1431 1 76 HIS HA 1 92 ASN HD22 . . 3.710 2.103 1.947 2.368 . 0 0 "[ . 1 . 2]" 1
1432 1 76 HIS HB2 1 76 HIS HD2 . . 3.780 2.770 2.751 2.789 . 0 0 "[ . 1 . 2]" 1
1433 1 76 HIS HB2 1 77 ASP H . . 3.370 2.566 2.405 2.694 . 0 0 "[ . 1 . 2]" 1
1434 1 76 HIS HB2 1 90 ILE MG . . 5.070 2.774 2.375 3.093 . 0 0 "[ . 1 . 2]" 1
1435 1 76 HIS HB2 1 92 ASN HD22 . . 4.450 1.943 1.934 1.963 . 0 0 "[ . 1 . 2]" 1
1436 1 76 HIS HB3 1 77 ASP H . . 4.050 3.930 3.829 4.005 . 0 0 "[ . 1 . 2]" 1
1437 1 76 HIS HD2 1 77 ASP H . . 4.200 3.432 3.188 3.638 . 0 0 "[ . 1 . 2]" 1
1438 1 76 HIS HD2 1 78 PRO HA . . 3.310 3.142 3.014 3.252 . 0 0 "[ . 1 . 2]" 1
1439 1 76 HIS HD2 1 78 PRO HB3 . . 4.970 4.492 4.285 4.679 . 0 0 "[ . 1 . 2]" 1
1440 1 76 HIS HD2 1 79 SER H . . 5.500 5.510 5.502 5.519 0.019 17 0 "[ . 1 . 2]" 1
1441 1 76 HIS HD2 1 80 GLU H . . 5.500 5.403 5.356 5.443 . 0 0 "[ . 1 . 2]" 1
1442 1 76 HIS HD2 1 82 VAL HA . . 5.500 5.513 5.504 5.523 0.023 17 0 "[ . 1 . 2]" 1
1443 1 76 HIS HD2 1 82 VAL HB . . 4.640 4.356 4.262 4.444 . 0 0 "[ . 1 . 2]" 1
1444 1 76 HIS HD2 1 82 VAL MG1 . . 3.320 2.058 1.948 2.113 . 0 0 "[ . 1 . 2]" 1
1445 1 76 HIS HD2 1 82 VAL MG2 . . 3.690 3.544 3.367 3.685 . 0 0 "[ . 1 . 2]" 1
1446 1 76 HIS HD2 1 90 ILE MG . . 4.080 3.889 3.542 4.089 0.009 8 0 "[ . 1 . 2]" 1
1447 1 76 HIS HD2 1 92 ASN HD21 . . 4.970 4.687 4.369 4.858 . 0 0 "[ . 1 . 2]" 1
1448 1 76 HIS HD2 1 92 ASN HD22 . . 4.760 4.403 3.886 4.608 . 0 0 "[ . 1 . 2]" 1
1449 1 76 HIS HE1 1 90 ILE MG . . 4.920 4.509 4.108 4.781 . 0 0 "[ . 1 . 2]" 1
1450 1 77 ASP H 1 77 ASP QB . . 3.320 2.565 2.201 2.967 . 0 0 "[ . 1 . 2]" 1
1451 1 77 ASP H 1 78 PRO HA . . 5.420 5.252 5.169 5.336 . 0 0 "[ . 1 . 2]" 1
1452 1 77 ASP H 1 78 PRO HD2 . . 4.980 4.794 4.739 4.828 . 0 0 "[ . 1 . 2]" 1
1453 1 77 ASP H 1 78 PRO HD3 . . 4.860 4.644 4.485 4.753 . 0 0 "[ . 1 . 2]" 1
1454 1 77 ASP H 1 80 GLU H . . 4.980 4.769 4.582 4.996 0.016 6 0 "[ . 1 . 2]" 1
1455 1 77 ASP H 1 80 GLU QB . . 4.510 4.098 3.832 4.398 . 0 0 "[ . 1 . 2]" 1
1456 1 77 ASP H 1 92 ASN HB3 . . 4.760 4.448 4.114 4.723 . 0 0 "[ . 1 . 2]" 1
1457 1 77 ASP H 1 92 ASN HD21 . . 3.720 3.291 2.672 3.681 . 0 0 "[ . 1 . 2]" 1
1458 1 77 ASP H 1 92 ASN HD22 . . 4.100 2.494 1.898 2.947 . 0 0 "[ . 1 . 2]" 1
1459 1 77 ASP HA 1 78 PRO HD2 . . 3.390 2.007 1.946 2.065 . 0 0 "[ . 1 . 2]" 1
1460 1 77 ASP HA 1 78 PRO HD3 . . 3.390 2.306 2.269 2.364 . 0 0 "[ . 1 . 2]" 1
1461 1 77 ASP HA 1 78 PRO HG2 . . 4.450 4.198 4.150 4.245 . 0 0 "[ . 1 . 2]" 1
1462 1 77 ASP HA 1 78 PRO HG3 . . 4.450 4.319 4.315 4.326 . 0 0 "[ . 1 . 2]" 1
1463 1 77 ASP HA 1 79 SER H . . 3.900 3.680 3.617 3.779 . 0 0 "[ . 1 . 2]" 1
1464 1 77 ASP QB 1 79 SER H . . 4.110 3.330 2.738 3.897 . 0 0 "[ . 1 . 2]" 1
1465 1 77 ASP QB 1 80 GLU H . . 3.730 2.497 2.102 2.794 . 0 0 "[ . 1 . 2]" 1
1466 1 77 ASP QB 1 92 ASN HD21 . . 5.340 4.801 4.091 5.315 . 0 0 "[ . 1 . 2]" 1
1467 1 77 ASP QB 1 92 ASN HD22 . . 5.260 4.468 3.644 4.913 . 0 0 "[ . 1 . 2]" 1
1468 1 77 ASP HB2 1 79 SER H . . 4.950 4.057 2.769 4.919 . 0 0 "[ . 1 . 2]" 1
1469 1 77 ASP HB2 1 80 GLU H . . 4.420 3.536 2.235 4.273 . 0 0 "[ . 1 . 2]" 1
1470 1 77 ASP HB3 1 79 SER H . . 4.950 3.935 3.017 4.658 . 0 0 "[ . 1 . 2]" 1
1471 1 77 ASP HB3 1 80 GLU H . . 4.420 3.129 2.113 4.178 . 0 0 "[ . 1 . 2]" 1
1472 1 78 PRO HA 1 82 VAL MG1 . . 4.220 3.831 3.641 3.967 . 0 0 "[ . 1 . 2]" 1
1473 1 78 PRO HB2 1 79 SER H . . 3.840 3.509 3.275 3.605 . 0 0 "[ . 1 . 2]" 1
1474 1 78 PRO HB3 1 79 SER H . . 4.420 4.242 4.106 4.298 . 0 0 "[ . 1 . 2]" 1
1475 1 78 PRO HD2 1 79 SER H . . 3.160 2.683 2.646 2.711 . 0 0 "[ . 1 . 2]" 1
1476 1 78 PRO HD2 1 80 GLU H . . 4.650 4.389 4.199 4.559 . 0 0 "[ . 1 . 2]" 1
1477 1 78 PRO QG 1 79 SER H . . 3.360 2.576 2.280 2.703 . 0 0 "[ . 1 . 2]" 1
1478 1 78 PRO HG2 1 79 SER H . . 4.150 2.606 2.297 2.739 . 0 0 "[ . 1 . 2]" 1
1479 1 78 PRO HG3 1 79 SER H . . 4.150 4.057 3.828 4.156 0.006 8 0 "[ . 1 . 2]" 1
1480 1 79 SER H 1 79 SER HB2 . . 3.490 2.391 2.181 3.426 . 0 0 "[ . 1 . 2]" 1
1481 1 79 SER H 1 79 SER QB . . 2.810 2.242 2.160 2.905 0.095 6 0 "[ . 1 . 2]" 1
1482 1 79 SER H 1 79 SER HB3 . . 3.490 3.160 2.350 3.492 0.002 8 0 "[ . 1 . 2]" 1
1483 1 79 SER H 1 80 GLU H . . 2.740 2.357 2.296 2.477 . 0 0 "[ . 1 . 2]" 1
1484 1 79 SER H 1 80 GLU HA . . 5.360 5.053 5.002 5.151 . 0 0 "[ . 1 . 2]" 1
1485 1 79 SER HA 1 80 GLU H . . 3.530 3.474 3.468 3.477 . 0 0 "[ . 1 . 2]" 1
1486 1 79 SER QB 1 80 GLU H . . 3.280 2.932 2.857 3.327 0.047 6 0 "[ . 1 . 2]" 1
1487 1 80 GLU H 1 80 GLU HB2 . . 3.740 2.349 2.248 2.870 . 0 0 "[ . 1 . 2]" 1
1488 1 80 GLU H 1 80 GLU QB . . 3.070 2.315 2.220 2.778 . 0 0 "[ . 1 . 2]" 1
1489 1 80 GLU H 1 80 GLU HB3 . . 3.740 3.537 3.440 3.712 . 0 0 "[ . 1 . 2]" 1
1490 1 80 GLU H 1 80 GLU QG . . 3.380 3.133 2.104 3.402 0.022 10 0 "[ . 1 . 2]" 1
1491 1 80 GLU H 1 82 VAL MG1 . . 4.870 4.500 4.417 4.595 . 0 0 "[ . 1 . 2]" 1
1492 1 80 GLU HA 1 81 PRO QD . . 3.510 2.149 2.114 2.165 . 0 0 "[ . 1 . 2]" 1
1493 1 80 GLU HA 1 81 PRO HG2 . . 4.720 4.594 4.547 4.615 . 0 0 "[ . 1 . 2]" 1
1494 1 80 GLU HA 1 81 PRO HG3 . . 4.620 4.534 4.497 4.550 . 0 0 "[ . 1 . 2]" 1
1495 1 80 GLU QB 1 81 PRO QD . . 3.990 1.995 1.901 2.090 . 0 0 "[ . 1 . 2]" 1
1496 1 80 GLU QB 1 92 ASN HD21 . . 5.160 4.668 4.482 4.745 . 0 0 "[ . 1 . 2]" 1
1497 1 80 GLU QB 1 92 ASN HD22 . . 5.340 5.309 4.975 5.363 0.023 19 0 "[ . 1 . 2]" 1
1498 1 80 GLU QB 1 93 LEU H . . 5.340 4.502 4.396 4.659 . 0 0 "[ . 1 . 2]" 1
1499 1 80 GLU HB2 1 81 PRO QD . . 4.620 3.442 3.030 3.500 . 0 0 "[ . 1 . 2]" 1
1500 1 80 GLU HB3 1 81 PRO QD . . 4.620 2.008 1.921 2.107 . 0 0 "[ . 1 . 2]" 1
1501 1 81 PRO HA 1 82 VAL H . . 2.500 2.168 2.157 2.191 . 0 0 "[ . 1 . 2]" 1
1502 1 81 PRO HA 1 82 VAL MG2 . . 4.060 3.835 3.686 3.911 . 0 0 "[ . 1 . 2]" 1
1503 1 81 PRO HA 1 93 LEU H . . 5.350 5.316 5.262 5.362 0.012 14 0 "[ . 1 . 2]" 1
1504 1 81 PRO HB2 1 82 VAL H . . 3.480 3.420 3.282 3.498 0.018 11 0 "[ . 1 . 2]" 1
1505 1 81 PRO HB2 1 93 LEU H . . 4.180 3.967 3.746 4.198 0.018 13 0 "[ . 1 . 2]" 1
1506 1 81 PRO HB2 1 93 LEU HB2 . . 5.180 4.884 4.742 5.022 . 0 0 "[ . 1 . 2]" 1
1507 1 81 PRO HB2 1 93 LEU HB3 . . 4.520 3.257 3.132 3.396 . 0 0 "[ . 1 . 2]" 1
1508 1 81 PRO HB2 1 93 LEU MD2 . . 4.210 3.910 3.836 3.971 . 0 0 "[ . 1 . 2]" 1
1509 1 81 PRO HB3 1 82 VAL H . . 4.050 3.926 3.836 3.977 . 0 0 "[ . 1 . 2]" 1
1510 1 81 PRO HB3 1 93 LEU HB3 . . 5.240 4.914 4.763 5.064 . 0 0 "[ . 1 . 2]" 1
1511 1 81 PRO HB3 1 93 LEU MD2 . . 5.050 5.053 5.001 5.063 0.013 19 0 "[ . 1 . 2]" 1
1512 1 81 PRO QD 1 82 VAL H . . 5.100 4.988 4.977 5.004 . 0 0 "[ . 1 . 2]" 1
1513 1 81 PRO QD 1 93 LEU H . . 4.600 4.498 4.397 4.602 0.002 14 0 "[ . 1 . 2]" 1
1514 1 81 PRO HG2 1 82 VAL H . . 4.950 4.912 4.849 4.947 . 0 0 "[ . 1 . 2]" 1
1515 1 81 PRO HG2 1 93 LEU MD2 . . 4.540 4.406 4.100 4.544 0.004 8 0 "[ . 1 . 2]" 1
1516 1 82 VAL H 1 82 VAL HB . . 3.830 3.776 3.746 3.818 . 0 0 "[ . 1 . 2]" 1
1517 1 82 VAL H 1 82 VAL MG2 . . 2.540 2.050 1.979 2.109 . 0 0 "[ . 1 . 2]" 1
1518 1 82 VAL H 1 83 VAL H . . 4.710 4.494 4.457 4.527 . 0 0 "[ . 1 . 2]" 1
1519 1 82 VAL H 1 90 ILE MG . . 5.180 5.049 4.749 5.193 0.013 17 0 "[ . 1 . 2]" 1
1520 1 82 VAL H 1 92 ASN HA . . 5.140 4.919 4.808 4.971 . 0 0 "[ . 1 . 2]" 1
1521 1 82 VAL H 1 93 LEU H . . 5.030 5.008 4.921 5.043 0.013 17 0 "[ . 1 . 2]" 1
1522 1 82 VAL H 1 93 LEU HB3 . . 5.500 5.483 5.387 5.519 0.019 15 0 "[ . 1 . 2]" 1
1523 1 82 VAL HA 1 82 VAL HB . . 2.960 2.419 2.404 2.456 . 0 0 "[ . 1 . 2]" 1
1524 1 82 VAL HA 1 82 VAL MG1 . . 3.220 2.318 2.258 2.389 . 0 0 "[ . 1 . 2]" 1
1525 1 82 VAL HA 1 82 VAL MG2 . . 3.540 3.194 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
1526 1 82 VAL HA 1 83 VAL H . . 2.930 2.262 2.231 2.301 . 0 0 "[ . 1 . 2]" 1
1527 1 82 VAL HA 1 83 VAL HA . . 5.170 4.400 4.397 4.406 . 0 0 "[ . 1 . 2]" 1
1528 1 82 VAL HA 1 90 ILE MG . . 3.910 3.902 3.825 3.934 0.024 11 0 "[ . 1 . 2]" 1
1529 1 82 VAL HA 1 92 ASN HA . . 2.760 2.185 2.052 2.248 . 0 0 "[ . 1 . 2]" 1
1530 1 82 VAL HA 1 92 ASN HB2 . . 5.240 5.147 5.017 5.212 . 0 0 "[ . 1 . 2]" 1
1531 1 82 VAL HA 1 92 ASN HB3 . . 4.310 4.141 4.046 4.214 . 0 0 "[ . 1 . 2]" 1
1532 1 82 VAL HA 1 92 ASN HD21 . . 4.520 2.781 2.579 2.932 . 0 0 "[ . 1 . 2]" 1
1533 1 82 VAL HA 1 93 LEU H . . 3.430 3.179 3.030 3.321 . 0 0 "[ . 1 . 2]" 1
1534 1 82 VAL HA 1 93 LEU HB2 . . 5.500 5.046 4.916 5.150 . 0 0 "[ . 1 . 2]" 1
1535 1 82 VAL HA 1 93 LEU HB3 . . 4.670 4.561 4.401 4.676 0.006 12 0 "[ . 1 . 2]" 1
1536 1 82 VAL HB 1 83 VAL H . . 2.930 2.769 2.655 2.869 . 0 0 "[ . 1 . 2]" 1
1537 1 82 VAL HB 1 90 ILE MD . . 4.070 3.884 3.791 4.000 . 0 0 "[ . 1 . 2]" 1
1538 1 82 VAL HB 1 90 ILE MG . . 3.260 2.045 1.900 2.155 . 0 0 "[ . 1 . 2]" 1
1539 1 82 VAL HB 1 91 ASN H . . 4.120 3.599 3.337 3.902 . 0 0 "[ . 1 . 2]" 1
1540 1 82 VAL HB 1 92 ASN HA . . 4.020 3.947 3.776 4.038 0.018 12 0 "[ . 1 . 2]" 1
1541 1 82 VAL HB 1 92 ASN HD21 . . 5.320 3.323 3.192 3.390 . 0 0 "[ . 1 . 2]" 1
1542 1 82 VAL HB 1 92 ASN HD22 . . 5.280 4.191 3.989 4.278 . 0 0 "[ . 1 . 2]" 1
1543 1 82 VAL MG1 1 90 ILE MD . . 4.670 4.624 4.492 4.676 0.006 8 0 "[ . 1 . 2]" 1
1544 1 82 VAL MG1 1 90 ILE MG . . 3.020 2.673 2.454 2.800 . 0 0 "[ . 1 . 2]" 1
1545 1 82 VAL MG1 1 92 ASN HA . . 3.630 3.246 3.008 3.491 . 0 0 "[ . 1 . 2]" 1
1546 1 82 VAL MG1 1 92 ASN HD21 . . 3.790 2.214 1.921 2.481 . 0 0 "[ . 1 . 2]" 1
1547 1 82 VAL MG1 1 92 ASN HD22 . . 3.770 2.893 2.372 3.072 . 0 0 "[ . 1 . 2]" 1
1548 1 82 VAL MG2 1 83 VAL HA . . 4.410 3.854 3.733 3.972 . 0 0 "[ . 1 . 2]" 1
1549 1 82 VAL MG2 1 90 ILE MD . . 3.350 3.122 2.813 3.342 . 0 0 "[ . 1 . 2]" 1
1550 1 82 VAL MG2 1 90 ILE MG . . 3.160 2.473 2.147 2.669 . 0 0 "[ . 1 . 2]" 1
1551 1 82 VAL MG2 1 91 ASN H . . 4.680 4.502 4.334 4.690 0.010 6 0 "[ . 1 . 2]" 1
1552 1 82 VAL MG2 1 92 ASN HA . . 5.110 4.910 4.785 4.975 . 0 0 "[ . 1 . 2]" 1
1553 1 83 VAL H 1 83 VAL MG1 . . 3.000 2.654 2.553 2.716 . 0 0 "[ . 1 . 2]" 1
1554 1 83 VAL H 1 83 VAL MG2 . . 2.950 2.156 2.103 2.270 . 0 0 "[ . 1 . 2]" 1
1555 1 83 VAL H 1 84 THR H . . 4.640 4.468 4.463 4.471 . 0 0 "[ . 1 . 2]" 1
1556 1 83 VAL H 1 90 ILE MG . . 3.670 3.366 3.244 3.433 . 0 0 "[ . 1 . 2]" 1
1557 1 83 VAL H 1 91 ASN H . . 3.380 2.828 2.712 3.047 . 0 0 "[ . 1 . 2]" 1
1558 1 83 VAL H 1 91 ASN HA . . 4.620 4.432 4.376 4.495 . 0 0 "[ . 1 . 2]" 1
1559 1 83 VAL H 1 91 ASN QB . . 4.810 3.440 3.343 3.532 . 0 0 "[ . 1 . 2]" 1
1560 1 83 VAL H 1 92 ASN HA . . 3.690 3.130 3.037 3.175 . 0 0 "[ . 1 . 2]" 1
1561 1 83 VAL H 1 92 ASN HB3 . . 5.500 5.488 5.395 5.523 0.023 13 0 "[ . 1 . 2]" 1
1562 1 83 VAL H 1 92 ASN HD22 . . 5.500 5.330 5.238 5.503 0.003 6 0 "[ . 1 . 2]" 1
1563 1 83 VAL H 1 93 LEU H . . 4.230 4.193 4.130 4.241 0.011 1 0 "[ . 1 . 2]" 1
1564 1 83 VAL H 1 93 LEU HB2 . . 4.730 4.721 4.656 4.756 0.026 11 0 "[ . 1 . 2]" 1
1565 1 83 VAL H 1 93 LEU HB3 . . 5.080 4.989 4.920 5.082 0.002 4 0 "[ . 1 . 2]" 1
1566 1 83 VAL HA 1 83 VAL MG1 . . 3.420 2.381 2.337 2.455 . 0 0 "[ . 1 . 2]" 1
1567 1 83 VAL HA 1 83 VAL MG2 . . 3.330 3.194 3.177 3.198 . 0 0 "[ . 1 . 2]" 1
1568 1 83 VAL HA 1 84 THR H . . 2.670 2.527 2.518 2.529 . 0 0 "[ . 1 . 2]" 1
1569 1 83 VAL HA 1 93 LEU MD2 . . 5.350 5.199 5.097 5.259 . 0 0 "[ . 1 . 2]" 1
1570 1 83 VAL HB 1 84 THR H . . 2.930 2.190 2.175 2.230 . 0 0 "[ . 1 . 2]" 1
1571 1 83 VAL HB 1 85 SER H . . 5.500 5.268 5.085 5.487 . 0 0 "[ . 1 . 2]" 1
1572 1 83 VAL HB 1 93 LEU HB2 . . 4.610 4.517 4.474 4.554 . 0 0 "[ . 1 . 2]" 1
1573 1 83 VAL HB 1 93 LEU HB3 . . 5.500 5.507 5.442 5.534 0.034 8 0 "[ . 1 . 2]" 1
1574 1 83 VAL MG1 1 84 THR H . . 3.930 3.721 3.695 3.777 . 0 0 "[ . 1 . 2]" 1
1575 1 83 VAL MG1 1 91 ASN H . . 4.750 4.651 4.499 4.707 . 0 0 "[ . 1 . 2]" 1
1576 1 83 VAL MG1 1 91 ASN HB2 . . 4.720 4.227 3.903 4.409 . 0 0 "[ . 1 . 2]" 1
1577 1 83 VAL MG1 1 91 ASN QB . . 4.150 3.815 3.730 3.874 . 0 0 "[ . 1 . 2]" 1
1578 1 83 VAL MG1 1 91 ASN HB3 . . 4.720 4.406 4.212 4.739 0.019 8 0 "[ . 1 . 2]" 1
1579 1 83 VAL MG1 1 91 ASN HD21 . . 5.500 5.521 5.507 5.551 0.051 15 0 "[ . 1 . 2]" 1
1580 1 83 VAL MG1 1 92 ASN HA . . 4.110 3.688 3.625 3.751 . 0 0 "[ . 1 . 2]" 1
1581 1 83 VAL MG1 1 93 LEU HA . . 3.800 3.604 3.497 3.738 . 0 0 "[ . 1 . 2]" 1
1582 1 83 VAL MG1 1 93 LEU HB2 . . 3.440 1.903 1.889 1.958 . 0 0 "[ . 1 . 2]" 1
1583 1 83 VAL MG1 1 93 LEU HG . . 4.400 4.176 4.144 4.228 . 0 0 "[ . 1 . 2]" 1
1584 1 83 VAL MG2 1 84 THR H . . 2.930 2.920 2.851 2.947 0.017 10 0 "[ . 1 . 2]" 1
1585 1 83 VAL MG2 1 85 SER H . . 4.560 3.570 3.315 3.825 . 0 0 "[ . 1 . 2]" 1
1586 1 83 VAL MG2 1 91 ASN QB . . 3.620 1.867 1.836 1.897 . 0 0 "[ . 1 . 2]" 1
1587 1 83 VAL MG2 1 92 ASN H . . 4.260 3.515 3.334 3.794 . 0 0 "[ . 1 . 2]" 1
1588 1 83 VAL MG2 1 92 ASN HA . . 4.510 3.762 3.596 4.056 . 0 0 "[ . 1 . 2]" 1
1589 1 84 THR H 1 84 THR HB . . 3.020 3.006 2.910 3.036 0.016 1 0 "[ . 1 . 2]" 1
1590 1 84 THR H 1 84 THR MG . . 4.060 3.931 3.885 3.963 . 0 0 "[ . 1 . 2]" 1
1591 1 84 THR H 1 85 SER H . . 4.260 4.121 4.020 4.262 0.002 1 0 "[ . 1 . 2]" 1
1592 1 84 THR H 1 90 ILE MG . . 5.500 5.462 5.330 5.507 0.007 18 0 "[ . 1 . 2]" 1
1593 1 84 THR HA 1 84 THR MG . . 3.090 2.127 2.006 2.186 . 0 0 "[ . 1 . 2]" 1
1594 1 84 THR HA 1 85 SER H . . 3.280 2.153 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
1595 1 84 THR HA 1 89 THR H . . 4.790 4.707 4.461 4.793 0.003 9 0 "[ . 1 . 2]" 1
1596 1 84 THR HA 1 90 ILE HA . . 3.490 2.821 2.655 2.905 . 0 0 "[ . 1 . 2]" 1
1597 1 84 THR HA 1 90 ILE MD . . 3.750 3.037 2.668 3.328 . 0 0 "[ . 1 . 2]" 1
1598 1 84 THR HA 1 90 ILE MG . . 4.440 4.253 4.087 4.332 . 0 0 "[ . 1 . 2]" 1
1599 1 84 THR HB 1 85 SER H . . 4.380 4.122 3.972 4.232 . 0 0 "[ . 1 . 2]" 1
1600 1 84 THR MG 1 85 SER H . . 3.420 3.145 3.002 3.323 . 0 0 "[ . 1 . 2]" 1
1601 1 84 THR MG 1 88 GLY H . . 3.910 3.747 3.448 3.918 0.008 15 0 "[ . 1 . 2]" 1
1602 1 84 THR MG 1 88 GLY HA2 . . 4.120 2.643 2.260 2.730 . 0 0 "[ . 1 . 2]" 1
1603 1 84 THR MG 1 88 GLY QA . . 3.350 2.612 2.241 2.693 . 0 0 "[ . 1 . 2]" 1
1604 1 84 THR MG 1 88 GLY HA3 . . 4.120 4.095 3.728 4.136 0.016 8 0 "[ . 1 . 2]" 1
1605 1 84 THR MG 1 89 THR H . . 4.030 3.902 3.597 4.006 . 0 0 "[ . 1 . 2]" 1
1606 1 84 THR MG 1 89 THR HA . . 4.600 4.566 4.438 4.614 0.014 15 0 "[ . 1 . 2]" 1
1607 1 84 THR MG 1 90 ILE H . . 4.850 4.531 4.403 4.732 . 0 0 "[ . 1 . 2]" 1
1608 1 84 THR MG 1 90 ILE HA . . 3.930 3.404 3.300 3.572 . 0 0 "[ . 1 . 2]" 1
1609 1 84 THR MG 1 90 ILE HB . . 5.500 5.498 5.439 5.515 0.015 1 0 "[ . 1 . 2]" 1
1610 1 84 THR MG 1 90 ILE MD . . 3.550 2.250 2.025 2.390 . 0 0 "[ . 1 . 2]" 1
1611 1 84 THR MG 1 91 ASN H . . 4.970 4.769 4.653 4.960 . 0 0 "[ . 1 . 2]" 1
1612 1 85 SER H 1 85 SER HB2 . . 3.850 2.375 2.084 3.394 . 0 0 "[ . 1 . 2]" 1
1613 1 85 SER H 1 85 SER QB . . 3.320 2.216 2.063 2.588 . 0 0 "[ . 1 . 2]" 1
1614 1 85 SER H 1 85 SER HB3 . . 3.850 3.308 2.089 3.603 . 0 0 "[ . 1 . 2]" 1
1615 1 85 SER H 1 86 GLN H . . 5.140 4.586 4.490 4.639 . 0 0 "[ . 1 . 2]" 1
1616 1 85 SER H 1 87 LEU H . . 4.910 4.703 4.355 4.851 . 0 0 "[ . 1 . 2]" 1
1617 1 85 SER H 1 88 GLY H . . 4.740 4.133 3.858 4.734 . 0 0 "[ . 1 . 2]" 1
1618 1 85 SER H 1 89 THR H . . 3.660 3.375 3.163 3.524 . 0 0 "[ . 1 . 2]" 1
1619 1 85 SER H 1 89 THR MG . . 5.080 4.916 4.504 5.087 0.007 12 0 "[ . 1 . 2]" 1
1620 1 85 SER H 1 90 ILE H . . 5.230 5.096 4.792 5.254 0.024 4 0 "[ . 1 . 2]" 1
1621 1 85 SER H 1 90 ILE HA . . 3.910 3.788 3.460 3.916 0.006 13 0 "[ . 1 . 2]" 1
1622 1 85 SER H 1 90 ILE MD . . 4.910 4.446 4.118 4.714 . 0 0 "[ . 1 . 2]" 1
1623 1 85 SER H 1 90 ILE MG . . 5.500 5.399 5.147 5.513 0.013 19 0 "[ . 1 . 2]" 1
1624 1 85 SER H 1 91 ASN H . . 4.330 4.121 3.606 4.333 0.003 16 0 "[ . 1 . 2]" 1
1625 1 85 SER H 1 91 ASN QB . . 5.340 4.057 3.686 4.678 . 0 0 "[ . 1 . 2]" 1
1626 1 85 SER H 1 91 ASN HD21 . . 5.250 5.157 4.775 5.255 0.005 4 0 "[ . 1 . 2]" 1
1627 1 85 SER HA 1 86 GLN HA . . 4.360 4.308 4.294 4.347 . 0 0 "[ . 1 . 2]" 1
1628 1 85 SER HA 1 86 GLN QG . . 4.430 3.962 3.706 4.244 . 0 0 "[ . 1 . 2]" 1
1629 1 85 SER HA 1 87 LEU H . . 4.180 4.115 3.943 4.200 0.020 19 0 "[ . 1 . 2]" 1
1630 1 85 SER QB 1 87 LEU H . . 3.270 2.351 2.043 3.212 . 0 0 "[ . 1 . 2]" 1
1631 1 85 SER QB 1 89 THR H . . 3.480 2.683 2.158 3.055 . 0 0 "[ . 1 . 2]" 1
1632 1 85 SER HB2 1 87 LEU H . . 3.810 3.318 2.441 3.834 0.024 19 0 "[ . 1 . 2]" 1
1633 1 85 SER HB2 1 89 THR H . . 3.980 2.956 2.169 4.030 0.050 3 0 "[ . 1 . 2]" 1
1634 1 85 SER HB3 1 87 LEU H . . 3.810 2.503 2.052 3.865 0.055 15 0 "[ . 1 . 2]" 1
1635 1 85 SER HB3 1 89 THR H . . 3.980 3.610 2.730 3.985 0.005 1 0 "[ . 1 . 2]" 1
1636 1 86 GLN H 1 87 LEU H . . 4.590 2.558 2.405 2.676 . 0 0 "[ . 1 . 2]" 1
1637 1 86 GLN HA 1 86 GLN HE21 . . 4.890 3.695 2.122 4.730 . 0 0 "[ . 1 . 2]" 1
1638 1 86 GLN HA 1 86 GLN HE22 . . 4.890 4.132 3.110 4.928 0.038 8 0 "[ . 1 . 2]" 1
1639 1 86 GLN HA 1 86 GLN QG . . 3.130 2.719 2.197 3.103 . 0 0 "[ . 1 . 2]" 1
1640 1 86 GLN HA 1 87 LEU H . . 3.460 3.404 3.242 3.460 0.000 11 0 "[ . 1 . 2]" 1
1641 1 86 GLN QB 1 87 LEU H . . 3.620 3.056 2.902 3.417 . 0 0 "[ . 1 . 2]" 1
1642 1 86 GLN QB 1 88 GLY H . . 5.090 4.592 4.474 4.804 . 0 0 "[ . 1 . 2]" 1
1643 1 86 GLN HB2 1 86 GLN HE22 . . 5.500 5.000 3.864 5.379 . 0 0 "[ . 1 . 2]" 1
1644 1 86 GLN HB2 1 87 LEU H . . 4.210 3.177 2.996 3.613 . 0 0 "[ . 1 . 2]" 1
1645 1 86 GLN HB3 1 86 GLN HE22 . . 5.500 4.176 3.376 5.195 . 0 0 "[ . 1 . 2]" 1
1646 1 86 GLN HB3 1 87 LEU H . . 4.210 3.990 3.829 4.236 0.026 8 0 "[ . 1 . 2]" 1
1647 1 86 GLN QG 1 87 LEU H . . 4.500 4.338 3.965 4.602 0.102 8 0 "[ . 1 . 2]" 1
1648 1 87 LEU H 1 87 LEU HB2 . . 3.750 2.603 2.183 3.558 . 0 0 "[ . 1 . 2]" 1
1649 1 87 LEU H 1 87 LEU QB . . 2.980 2.456 2.129 3.052 0.072 12 0 "[ . 1 . 2]" 1
1650 1 87 LEU H 1 87 LEU HB3 . . 3.750 3.132 2.593 3.754 0.004 2 0 "[ . 1 . 2]" 1
1651 1 87 LEU H 1 87 LEU MD1 . . 4.340 3.708 2.132 4.314 . 0 0 "[ . 1 . 2]" 1
1652 1 87 LEU H 1 87 LEU QD . . 3.760 3.177 1.923 3.733 . 0 0 "[ . 1 . 2]" 1
1653 1 87 LEU H 1 87 LEU MD2 . . 4.340 3.657 1.963 4.323 . 0 0 "[ . 1 . 2]" 1
1654 1 87 LEU H 1 87 LEU HG . . 4.560 3.527 1.951 4.556 . 0 0 "[ . 1 . 2]" 1
1655 1 87 LEU H 1 88 GLY H . . 2.950 2.418 2.068 2.727 . 0 0 "[ . 1 . 2]" 1
1656 1 87 LEU H 1 89 THR H . . 3.660 3.468 3.027 3.681 0.021 4 0 "[ . 1 . 2]" 1
1657 1 87 LEU H 1 89 THR MG . . 4.290 4.063 3.412 4.308 0.018 4 0 "[ . 1 . 2]" 1
1658 1 87 LEU HA 1 87 LEU MD1 . . 4.090 3.208 2.065 4.117 0.027 8 0 "[ . 1 . 2]" 1
1659 1 87 LEU HA 1 87 LEU QD . . 3.150 2.509 1.997 3.154 0.004 19 0 "[ . 1 . 2]" 1
1660 1 87 LEU HA 1 87 LEU MD2 . . 4.090 3.141 2.101 3.884 . 0 0 "[ . 1 . 2]" 1
1661 1 87 LEU QB 1 88 GLY H . . 3.830 3.300 3.071 3.734 . 0 0 "[ . 1 . 2]" 1
1662 1 87 LEU QB 1 89 THR H . . 3.820 3.063 2.729 3.842 0.022 8 0 "[ . 1 . 2]" 1
1663 1 87 LEU QB 1 89 THR MG . . 3.890 2.068 1.897 2.802 . 0 0 "[ . 1 . 2]" 1
1664 1 87 LEU QD 1 88 GLY H . . 4.940 4.103 3.684 4.409 . 0 0 "[ . 1 . 2]" 1
1665 1 87 LEU QD 1 89 THR H . . 4.500 3.885 3.303 4.427 . 0 0 "[ . 1 . 2]" 1
1666 1 87 LEU QD 1 89 THR HB . . 4.820 4.430 3.411 4.862 0.042 4 0 "[ . 1 . 2]" 1
1667 1 87 LEU QD 1 89 THR MG . . 3.340 2.223 1.792 3.011 . 0 0 "[ . 1 . 2]" 1
1668 1 87 LEU MD1 1 89 THR MG . . 4.640 3.130 1.795 4.289 . 0 0 "[ . 1 . 2]" 1
1669 1 87 LEU MD2 1 89 THR MG . . 4.640 3.009 1.899 4.423 . 0 0 "[ . 1 . 2]" 1
1670 1 87 LEU HG 1 89 THR MG . . 4.090 3.614 2.665 4.126 0.036 19 0 "[ . 1 . 2]" 1
1671 1 88 GLY H 1 89 THR H . . 2.940 2.330 2.231 2.685 . 0 0 "[ . 1 . 2]" 1
1672 1 88 GLY H 1 89 THR MG . . 3.950 3.869 3.732 3.982 0.032 8 0 "[ . 1 . 2]" 1
1673 1 88 GLY HA2 1 89 THR H . . 3.510 3.093 3.048 3.162 . 0 0 "[ . 1 . 2]" 1
1674 1 88 GLY HA3 1 89 THR H . . 3.510 3.421 3.374 3.448 . 0 0 "[ . 1 . 2]" 1
1675 1 89 THR H 1 89 THR MG . . 3.170 2.408 2.267 2.502 . 0 0 "[ . 1 . 2]" 1
1676 1 89 THR H 1 90 ILE H . . 4.550 4.501 4.467 4.561 0.011 11 0 "[ . 1 . 2]" 1
1677 1 89 THR HA 1 89 THR MG . . 3.280 2.418 2.350 2.481 . 0 0 "[ . 1 . 2]" 1
1678 1 89 THR HA 1 90 ILE H . . 2.770 2.178 2.158 2.232 . 0 0 "[ . 1 . 2]" 1
1679 1 89 THR HB 1 90 ILE H . . 3.200 3.125 2.892 3.211 0.011 3 0 "[ . 1 . 2]" 1
1680 1 90 ILE H 1 90 ILE HB . . 2.960 2.538 2.486 2.592 . 0 0 "[ . 1 . 2]" 1
1681 1 90 ILE H 1 90 ILE MD . . 3.710 3.315 3.112 3.530 . 0 0 "[ . 1 . 2]" 1
1682 1 90 ILE H 1 90 ILE QG . . 3.170 2.184 2.003 2.369 . 0 0 "[ . 1 . 2]" 1
1683 1 90 ILE H 1 90 ILE MG . . 3.910 3.776 3.766 3.797 . 0 0 "[ . 1 . 2]" 1
1684 1 90 ILE H 1 91 ASN H . . 4.600 4.507 4.294 4.613 0.013 9 0 "[ . 1 . 2]" 1
1685 1 90 ILE HA 1 90 ILE MD . . 3.400 2.060 1.983 2.142 . 0 0 "[ . 1 . 2]" 1
1686 1 90 ILE HA 1 90 ILE HG12 . . 4.140 3.064 2.996 3.120 . 0 0 "[ . 1 . 2]" 1
1687 1 90 ILE HA 1 90 ILE QG . . 3.610 2.931 2.879 2.967 . 0 0 "[ . 1 . 2]" 1
1688 1 90 ILE HA 1 90 ILE HG13 . . 4.140 3.738 3.712 3.767 . 0 0 "[ . 1 . 2]" 1
1689 1 90 ILE HA 1 90 ILE MG . . 3.370 2.286 2.240 2.332 . 0 0 "[ . 1 . 2]" 1
1690 1 90 ILE HA 1 91 ASN H . . 2.860 2.170 2.141 2.235 . 0 0 "[ . 1 . 2]" 1
1691 1 90 ILE HB 1 90 ILE MD . . 3.370 3.223 3.215 3.231 . 0 0 "[ . 1 . 2]" 1
1692 1 90 ILE HB 1 91 ASN H . . 4.580 4.144 3.882 4.364 . 0 0 "[ . 1 . 2]" 1
1693 1 90 ILE MD 1 90 ILE MG . . 2.890 2.060 1.948 2.128 . 0 0 "[ . 1 . 2]" 1
1694 1 90 ILE MD 1 91 ASN H . . 3.970 3.591 3.426 3.840 . 0 0 "[ . 1 . 2]" 1
1695 1 90 ILE HG12 1 90 ILE MG . . 3.420 3.187 3.185 3.190 . 0 0 "[ . 1 . 2]" 1
1696 1 90 ILE HG13 1 90 ILE MG . . 3.420 2.298 2.241 2.328 . 0 0 "[ . 1 . 2]" 1
1697 1 90 ILE MG 1 91 ASN H . . 3.310 2.395 1.973 2.977 . 0 0 "[ . 1 . 2]" 1
1698 1 90 ILE MG 1 91 ASN HA . . 4.010 3.720 3.554 4.005 . 0 0 "[ . 1 . 2]" 1
1699 1 90 ILE MG 1 92 ASN HA . . 4.780 4.716 4.660 4.788 0.008 19 0 "[ . 1 . 2]" 1
1700 1 91 ASN H 1 91 ASN HB2 . . 3.980 2.543 2.292 2.679 . 0 0 "[ . 1 . 2]" 1
1701 1 91 ASN H 1 91 ASN QB . . 3.380 2.497 2.264 2.618 . 0 0 "[ . 1 . 2]" 1
1702 1 91 ASN H 1 91 ASN HB3 . . 3.980 3.648 3.519 3.783 . 0 0 "[ . 1 . 2]" 1
1703 1 91 ASN H 1 92 ASN H . . 4.540 4.405 4.381 4.456 . 0 0 "[ . 1 . 2]" 1
1704 1 91 ASN HA 1 92 ASN H . . 3.120 2.627 2.606 2.674 . 0 0 "[ . 1 . 2]" 1
1705 1 91 ASN QB 1 92 ASN HD21 . . 4.950 4.786 4.670 4.908 . 0 0 "[ . 1 . 2]" 1
1706 1 91 ASN QB 1 92 ASN HD22 . . 5.340 5.330 5.145 5.378 0.038 10 0 "[ . 1 . 2]" 1
1707 1 91 ASN QB 1 93 LEU H . . 5.340 5.152 5.084 5.230 . 0 0 "[ . 1 . 2]" 1
1708 1 91 ASN HB2 1 92 ASN H . . 3.570 3.447 3.109 3.581 0.011 3 0 "[ . 1 . 2]" 1
1709 1 91 ASN HB3 1 92 ASN H . . 3.570 2.020 1.940 2.067 . 0 0 "[ . 1 . 2]" 1
1710 1 92 ASN H 1 92 ASN HB2 . . 3.410 2.803 2.750 2.834 . 0 0 "[ . 1 . 2]" 1
1711 1 92 ASN H 1 92 ASN HB3 . . 3.970 3.808 3.798 3.819 . 0 0 "[ . 1 . 2]" 1
1712 1 92 ASN H 1 92 ASN HD21 . . 4.540 3.635 3.547 3.737 . 0 0 "[ . 1 . 2]" 1
1713 1 92 ASN H 1 93 LEU H . . 4.460 4.433 4.417 4.446 . 0 0 "[ . 1 . 2]" 1
1714 1 92 ASN HA 1 92 ASN HD21 . . 4.070 2.108 2.034 2.220 . 0 0 "[ . 1 . 2]" 1
1715 1 92 ASN HA 1 92 ASN HD22 . . 3.860 3.700 3.631 3.767 . 0 0 "[ . 1 . 2]" 1
1716 1 92 ASN HA 1 93 LEU H . . 2.980 2.207 2.191 2.231 . 0 0 "[ . 1 . 2]" 1
1717 1 92 ASN HA 1 93 LEU HB3 . . 4.620 4.398 4.372 4.428 . 0 0 "[ . 1 . 2]" 1
1718 1 92 ASN HB2 1 93 LEU H . . 3.960 3.852 3.782 3.906 . 0 0 "[ . 1 . 2]" 1
1719 1 92 ASN HB3 1 93 LEU H . . 3.270 3.050 2.959 3.109 . 0 0 "[ . 1 . 2]" 1
1720 1 92 ASN HD21 1 93 LEU H . . 4.400 4.114 4.000 4.185 . 0 0 "[ . 1 . 2]" 1
1721 1 93 LEU H 1 93 LEU HB2 . . 3.410 3.126 3.062 3.174 . 0 0 "[ . 1 . 2]" 1
1722 1 93 LEU H 1 93 LEU HB3 . . 3.290 2.474 2.426 2.522 . 0 0 "[ . 1 . 2]" 1
1723 1 93 LEU H 1 93 LEU HG . . 4.330 4.316 4.276 4.339 0.009 16 0 "[ . 1 . 2]" 1
1724 1 93 LEU H 1 94 ILE H . . 4.490 4.399 4.354 4.449 . 0 0 "[ . 1 . 2]" 1
1725 1 93 LEU HA 1 93 LEU MD1 . . 3.360 2.067 1.991 2.203 . 0 0 "[ . 1 . 2]" 1
1726 1 93 LEU HA 1 93 LEU MD2 . . 3.980 3.894 3.867 3.917 . 0 0 "[ . 1 . 2]" 1
1727 1 93 LEU HA 1 93 LEU HG . . 4.170 3.318 3.256 3.350 . 0 0 "[ . 1 . 2]" 1
1728 1 93 LEU HA 1 94 ILE H . . 2.840 2.162 2.149 2.184 . 0 0 "[ . 1 . 2]" 1
1729 1 93 LEU HA 1 94 ILE MG . . 3.790 3.583 3.509 3.736 . 0 0 "[ . 1 . 2]" 1
1730 1 93 LEU HB2 1 93 LEU MD1 . . 3.620 2.340 2.278 2.379 . 0 0 "[ . 1 . 2]" 1
1731 1 93 LEU HB2 1 93 LEU MD2 . . 3.270 2.321 2.265 2.366 . 0 0 "[ . 1 . 2]" 1
1732 1 93 LEU HB2 1 94 ILE H . . 4.250 4.094 4.037 4.146 . 0 0 "[ . 1 . 2]" 1
1733 1 93 LEU HB3 1 93 LEU MD2 . . 3.310 2.374 2.248 2.422 . 0 0 "[ . 1 . 2]" 1
1734 1 93 LEU HB3 1 94 ILE H . . 4.470 4.237 4.159 4.308 . 0 0 "[ . 1 . 2]" 1
1735 1 93 LEU MD1 1 94 ILE H . . 3.040 2.310 2.139 2.442 . 0 0 "[ . 1 . 2]" 1
1736 1 93 LEU MD1 1 95 HIS HA . . 4.450 4.109 4.011 4.227 . 0 0 "[ . 1 . 2]" 1
1737 1 93 LEU MD1 1 95 HIS HB2 . . 5.500 5.493 5.334 5.530 0.030 10 0 "[ . 1 . 2]" 1
1738 1 93 LEU MD1 1 95 HIS HB3 . . 5.500 5.436 5.292 5.527 0.027 17 0 "[ . 1 . 2]" 1
1739 1 93 LEU MD1 1 95 HIS HD2 . . 3.780 2.291 2.133 2.618 . 0 0 "[ . 1 . 2]" 1
1740 1 93 LEU MD2 1 94 ILE HA . . 5.500 5.165 5.010 5.285 . 0 0 "[ . 1 . 2]" 1
1741 1 93 LEU MD2 1 95 HIS HE1 . . 3.990 3.148 2.838 3.341 . 0 0 "[ . 1 . 2]" 1
1742 1 93 LEU HG 1 94 ILE H . . 3.520 3.243 3.021 3.397 . 0 0 "[ . 1 . 2]" 1
1743 1 93 LEU HG 1 95 HIS HD2 . . 4.000 2.884 2.546 3.470 . 0 0 "[ . 1 . 2]" 1
1744 1 93 LEU HG 1 95 HIS HE1 . . 4.640 4.198 3.856 4.473 . 0 0 "[ . 1 . 2]" 1
1745 1 94 ILE H 1 94 ILE HB . . 3.790 3.179 3.095 3.272 . 0 0 "[ . 1 . 2]" 1
1746 1 94 ILE H 1 94 ILE QG . . 4.490 4.033 4.011 4.074 . 0 0 "[ . 1 . 2]" 1
1747 1 94 ILE H 1 94 ILE MG . . 2.970 2.096 1.997 2.251 . 0 0 "[ . 1 . 2]" 1
1748 1 94 ILE H 1 95 HIS H . . 4.460 4.393 4.314 4.461 0.001 11 0 "[ . 1 . 2]" 1
1749 1 94 ILE HA 1 94 ILE MD . . 3.590 3.387 3.240 3.480 . 0 0 "[ . 1 . 2]" 1
1750 1 94 ILE HA 1 94 ILE HG12 . . 3.750 3.522 3.449 3.614 . 0 0 "[ . 1 . 2]" 1
1751 1 94 ILE HA 1 94 ILE QG . . 3.270 2.336 2.281 2.375 . 0 0 "[ . 1 . 2]" 1
1752 1 94 ILE HA 1 94 ILE HG13 . . 3.750 2.371 2.312 2.409 . 0 0 "[ . 1 . 2]" 1
1753 1 94 ILE HA 1 94 ILE MG . . 3.660 3.199 3.184 3.201 . 0 0 "[ . 1 . 2]" 1
1754 1 94 ILE HA 1 95 HIS H . . 2.960 2.190 2.165 2.240 . 0 0 "[ . 1 . 2]" 1
1755 1 94 ILE HA 1 95 HIS HB2 . . 5.500 4.571 4.499 4.670 . 0 0 "[ . 1 . 2]" 1
1756 1 94 ILE HB 1 94 ILE MD . . 3.390 2.099 2.045 2.202 . 0 0 "[ . 1 . 2]" 1
1757 1 94 ILE HB 1 95 HIS H . . 4.090 4.066 3.977 4.116 0.026 17 0 "[ . 1 . 2]" 1
1758 1 94 ILE MD 1 94 ILE MG . . 2.850 2.549 2.430 2.708 . 0 0 "[ . 1 . 2]" 1
1759 1 94 ILE MD 1 95 HIS H . . 4.120 3.845 3.685 3.939 . 0 0 "[ . 1 . 2]" 1
1760 1 94 ILE QG 1 95 HIS H . . 3.380 2.151 1.937 2.267 . 0 0 "[ . 1 . 2]" 1
1761 1 94 ILE QG 1 96 VAL MG2 . . 4.090 2.893 2.681 3.044 . 0 0 "[ . 1 . 2]" 1
1762 1 94 ILE MG 1 95 HIS H . . 3.980 3.902 3.709 3.986 0.006 17 0 "[ . 1 . 2]" 1
1763 1 94 ILE MG 1 95 HIS HA . . 4.510 4.005 3.784 4.102 . 0 0 "[ . 1 . 2]" 1
1764 1 95 HIS H 1 95 HIS HB2 . . 3.230 2.582 2.523 2.674 . 0 0 "[ . 1 . 2]" 1
1765 1 95 HIS H 1 95 HIS HB3 . . 3.830 3.733 3.704 3.791 . 0 0 "[ . 1 . 2]" 1
1766 1 95 HIS H 1 96 VAL H . . 4.600 4.488 4.412 4.515 . 0 0 "[ . 1 . 2]" 1
1767 1 95 HIS HA 1 95 HIS HD2 . . 3.600 2.467 2.364 2.541 . 0 0 "[ . 1 . 2]" 1
1768 1 95 HIS HA 1 96 VAL H . . 2.780 2.231 2.181 2.240 . 0 0 "[ . 1 . 2]" 1
1769 1 95 HIS HA 1 96 VAL MG2 . . 4.660 3.552 3.396 3.636 . 0 0 "[ . 1 . 2]" 1
1770 1 95 HIS HB2 1 96 VAL H . . 4.080 3.961 3.865 4.064 . 0 0 "[ . 1 . 2]" 1
1771 1 95 HIS HB3 1 95 HIS HD2 . . 3.660 3.576 3.410 3.678 0.018 19 0 "[ . 1 . 2]" 1
1772 1 95 HIS HB3 1 96 VAL H . . 3.840 2.917 2.883 3.120 . 0 0 "[ . 1 . 2]" 1
1773 1 96 VAL H 1 96 VAL HB . . 3.130 2.629 2.579 2.716 . 0 0 "[ . 1 . 2]" 1
1774 1 96 VAL H 1 96 VAL MG1 . . 4.020 3.846 3.825 3.884 . 0 0 "[ . 1 . 2]" 1
1775 1 96 VAL H 1 96 VAL MG2 . . 3.010 2.783 2.663 2.872 . 0 0 "[ . 1 . 2]" 1
1776 1 96 VAL H 1 97 LYS H . . 4.700 4.427 4.358 4.479 . 0 0 "[ . 1 . 2]" 1
1777 1 96 VAL H 1 97 LYS HA . . 5.090 4.966 4.845 5.075 . 0 0 "[ . 1 . 2]" 1
1778 1 96 VAL H 1 97 LYS QG . . 4.830 4.324 4.071 4.714 . 0 0 "[ . 1 . 2]" 1
1779 1 96 VAL HA 1 96 VAL MG1 . . 3.180 2.356 2.267 2.405 . 0 0 "[ . 1 . 2]" 1
1780 1 96 VAL HA 1 96 VAL MG2 . . 3.230 2.355 2.274 2.441 . 0 0 "[ . 1 . 2]" 1
1781 1 96 VAL HA 1 97 LYS H . . 2.510 2.184 2.147 2.228 . 0 0 "[ . 1 . 2]" 1
1782 1 96 VAL HA 1 97 LYS QG . . 4.650 3.643 3.362 4.076 . 0 0 "[ . 1 . 2]" 1
1783 1 96 VAL HB 1 97 LYS H . . 4.180 4.060 3.943 4.196 0.016 19 0 "[ . 1 . 2]" 1
1784 1 96 VAL MG1 1 97 LYS H . . 3.010 2.395 2.155 2.690 . 0 0 "[ . 1 . 2]" 1
1785 1 96 VAL MG1 1 98 LYS H . . 4.510 4.448 4.239 4.553 0.043 18 0 "[ . 1 . 2]" 1
1786 1 96 VAL MG2 1 97 LYS H . . 4.150 3.977 3.894 4.070 . 0 0 "[ . 1 . 2]" 1
1787 1 97 LYS H 1 97 LYS HB2 . . 3.320 2.691 2.396 2.854 . 0 0 "[ . 1 . 2]" 1
1788 1 97 LYS H 1 97 LYS QE . . 5.180 4.718 3.739 5.180 . 20 0 "[ . 1 . 2]" 1
1789 1 97 LYS H 1 97 LYS QG . . 3.360 2.823 2.437 3.291 . 0 0 "[ . 1 . 2]" 1
1790 1 97 LYS HA 1 97 LYS QD . . 4.480 3.587 2.031 4.138 . 0 0 "[ . 1 . 2]" 1
1791 1 97 LYS HA 1 97 LYS QG . . 3.350 2.559 2.325 3.063 . 0 0 "[ . 1 . 2]" 1
1792 1 97 LYS HA 1 98 LYS H . . 2.640 2.231 2.197 2.335 . 0 0 "[ . 1 . 2]" 1
1793 1 97 LYS HA 1 98 LYS HA . . 5.200 4.329 4.304 4.342 . 0 0 "[ . 1 . 2]" 1
1794 1 97 LYS HB2 1 97 LYS QD . . 3.370 2.674 2.060 3.380 0.010 2 0 "[ . 1 . 2]" 1
1795 1 97 LYS HB2 1 97 LYS QE . . 4.810 3.557 2.005 4.416 . 0 0 "[ . 1 . 2]" 1
1796 1 97 LYS HB3 1 97 LYS QE . . 4.490 3.536 2.250 4.225 . 0 0 "[ . 1 . 2]" 1
1797 1 97 LYS HB3 1 98 LYS H . . 3.270 2.926 2.606 3.066 . 0 0 "[ . 1 . 2]" 1
1798 1 97 LYS QE 1 97 LYS QG . . 3.170 2.242 2.054 2.709 . 0 0 "[ . 1 . 2]" 1
1799 1 98 LYS H 1 98 LYS QB . . 2.710 2.272 2.065 2.689 . 0 0 "[ . 1 . 2]" 1
1800 1 98 LYS H 1 98 LYS QE . . 4.720 4.312 3.731 4.823 0.103 18 0 "[ . 1 . 2]" 1
1801 1 98 LYS H 1 98 LYS QG . . 4.360 3.483 2.103 4.045 . 0 0 "[ . 1 . 2]" 1
1802 1 98 LYS H 1 99 SER H . . 4.550 4.371 4.080 4.593 0.043 6 0 "[ . 1 . 2]" 1
1803 1 98 LYS HA 1 98 LYS QD . . 3.910 3.180 1.970 3.936 0.026 4 0 "[ . 1 . 2]" 1
1804 1 98 LYS HA 1 98 LYS QE . . 5.400 3.256 1.976 4.555 . 0 0 "[ . 1 . 2]" 1
1805 1 98 LYS HA 1 98 LYS QG . . 3.630 2.546 2.075 3.381 . 0 0 "[ . 1 . 2]" 1
1806 1 98 LYS HA 1 99 SER H . . 2.820 2.175 2.140 2.270 . 0 0 "[ . 1 . 2]" 1
1807 1 98 LYS HA 1 100 ASP H . . 4.230 3.506 3.101 3.882 . 0 0 "[ . 1 . 2]" 1
1808 1 98 LYS HA 1 101 PHE H . . 4.220 4.192 4.113 4.236 0.016 12 0 "[ . 1 . 2]" 1
1809 1 98 LYS HA 1 101 PHE HB3 . . 5.500 5.135 4.510 5.523 0.023 17 0 "[ . 1 . 2]" 1
1810 1 98 LYS QB 1 98 LYS QD . . 2.850 2.217 1.961 2.725 . 0 0 "[ . 1 . 2]" 1
1811 1 98 LYS QB 1 98 LYS QE . . 3.660 2.599 1.944 3.651 . 0 0 "[ . 1 . 2]" 1
1812 1 98 LYS QB 1 100 ASP H . . 4.990 3.704 2.967 4.562 . 0 0 "[ . 1 . 2]" 1
1813 1 98 LYS QB 1 101 PHE H . . 4.450 2.756 2.000 3.830 . 0 0 "[ . 1 . 2]" 1
1814 1 98 LYS QD 1 98 LYS QG . . 2.470 2.026 2.007 2.064 . 0 0 "[ . 1 . 2]" 1
1815 1 98 LYS QE 1 98 LYS QG . . 3.110 2.230 1.986 2.441 . 0 0 "[ . 1 . 2]" 1
1816 1 98 LYS QE 1 100 ASP H . . 5.500 4.454 1.937 5.525 0.025 17 0 "[ . 1 . 2]" 1
1817 1 98 LYS QG 1 99 SER H . . 5.270 3.637 2.861 4.498 . 0 0 "[ . 1 . 2]" 1
1818 1 98 LYS QG 1 100 ASP H . . 5.380 3.275 1.948 5.295 . 0 0 "[ . 1 . 2]" 1
1819 1 98 LYS QG 1 101 PHE HA . . 4.800 4.193 3.459 4.997 0.197 18 0 "[ . 1 . 2]" 1
1820 1 98 LYS QG 1 101 PHE HB3 . . 3.910 3.146 1.977 3.910 0.000 14 0 "[ . 1 . 2]" 1
1821 1 99 SER H 1 99 SER HB2 . . 3.670 2.920 2.261 3.665 . 0 0 "[ . 1 . 2]" 1
1822 1 99 SER H 1 99 SER QB . . 3.110 2.338 2.162 2.675 . 0 0 "[ . 1 . 2]" 1
1823 1 99 SER H 1 99 SER HB3 . . 3.670 2.678 2.196 3.579 . 0 0 "[ . 1 . 2]" 1
1824 1 99 SER H 1 100 ASP H . . 3.370 2.411 2.195 2.645 . 0 0 "[ . 1 . 2]" 1
1825 1 99 SER HA 1 100 ASP H . . 3.510 3.431 3.244 3.516 0.006 16 0 "[ . 1 . 2]" 1
1826 1 99 SER HA 1 102 GLU H . . 3.990 3.585 3.226 4.080 0.090 18 0 "[ . 1 . 2]" 1
1827 1 99 SER HA 1 102 GLU QG . . 4.650 2.508 1.957 3.942 . 0 0 "[ . 1 . 2]" 1
1828 1 99 SER HB2 1 100 ASP H . . 4.250 3.978 2.991 4.243 . 0 0 "[ . 1 . 2]" 1
1829 1 99 SER HB3 1 100 ASP H . . 4.250 3.481 2.845 4.228 . 0 0 "[ . 1 . 2]" 1
1830 1 100 ASP H 1 100 ASP QB . . 2.990 2.296 2.182 2.540 . 0 0 "[ . 1 . 2]" 1
1831 1 100 ASP H 1 101 PHE H . . 3.000 2.376 2.133 2.579 . 0 0 "[ . 1 . 2]" 1
1832 1 100 ASP H 1 101 PHE HB3 . . 5.500 4.901 4.567 5.219 . 0 0 "[ . 1 . 2]" 1
1833 1 100 ASP QB 1 101 PHE H . . 3.290 2.917 2.581 3.259 . 0 0 "[ . 1 . 2]" 1
1834 1 100 ASP QB 1 102 GLU H . . 5.130 4.838 4.471 5.141 0.011 18 0 "[ . 1 . 2]" 1
1835 1 101 PHE H 1 101 PHE HB2 . . 3.140 2.416 2.168 2.733 . 0 0 "[ . 1 . 2]" 1
1836 1 101 PHE H 1 101 PHE HB3 . . 3.000 2.726 2.374 3.011 0.011 4 0 "[ . 1 . 2]" 1
1837 1 101 PHE H 1 102 GLU H . . 3.000 2.482 2.294 2.630 . 0 0 "[ . 1 . 2]" 1
1838 1 101 PHE HB2 1 102 GLU H . . 3.860 3.772 3.538 3.917 0.057 18 0 "[ . 1 . 2]" 1
1839 1 101 PHE HB3 1 102 GLU H . . 3.510 2.762 2.358 3.053 . 0 0 "[ . 1 . 2]" 1
1840 1 101 PHE HB3 1 103 VAL H . . 5.070 4.896 4.736 5.079 0.009 16 0 "[ . 1 . 2]" 1
1841 1 102 GLU H 1 102 GLU HA . . 2.940 2.866 2.831 2.924 . 0 0 "[ . 1 . 2]" 1
1842 1 102 GLU H 1 102 GLU QB . . 2.650 2.507 2.181 2.776 0.126 14 0 "[ . 1 . 2]" 1
1843 1 102 GLU H 1 102 GLU QG . . 3.410 2.281 1.921 3.491 0.081 16 0 "[ . 1 . 2]" 1
1844 1 102 GLU H 1 103 VAL H . . 3.140 2.561 2.160 3.052 . 0 0 "[ . 1 . 2]" 1
1845 1 102 GLU H 1 103 VAL QG . . 4.310 3.750 3.165 4.310 . 2 0 "[ . 1 . 2]" 1
1846 1 102 GLU HA 1 102 GLU QG . . 3.590 3.298 2.727 3.448 . 0 0 "[ . 1 . 2]" 1
1847 1 102 GLU HA 1 103 VAL QG . . 5.440 4.521 4.025 4.869 . 0 0 "[ . 1 . 2]" 1
1848 1 102 GLU QB 1 102 GLU QG . . 2.300 2.061 2.017 2.086 . 0 0 "[ . 1 . 2]" 1
1849 1 102 GLU QB 1 103 VAL QG . . 4.840 3.818 2.548 4.568 . 0 0 "[ . 1 . 2]" 1
1850 1 102 GLU QG 1 103 VAL H . . 3.900 2.598 2.091 3.832 . 0 0 "[ . 1 . 2]" 1
1851 1 102 GLU QG 1 103 VAL QG . . 3.470 2.439 1.853 3.598 0.128 14 0 "[ . 1 . 2]" 1
1852 1 103 VAL H 1 103 VAL HB . . 2.910 2.642 2.489 2.912 0.002 16 0 "[ . 1 . 2]" 1
1853 1 103 VAL H 1 103 VAL QG . . 2.800 2.366 1.969 2.812 0.012 12 0 "[ . 1 . 2]" 1
1854 1 103 VAL HA 1 103 VAL QG . . 3.100 2.105 2.050 2.230 . 0 0 "[ . 1 . 2]" 1
1855 1 103 VAL HA 1 104 PHE H . . 2.450 2.175 2.140 2.268 . 0 0 "[ . 1 . 2]" 1
1856 1 103 VAL HA 1 105 ASP H . . 4.600 3.934 3.623 4.523 . 0 0 "[ . 1 . 2]" 1
1857 1 103 VAL HB 1 104 PHE H . . 4.210 4.105 3.806 4.210 . 0 0 "[ . 1 . 2]" 1
1858 1 103 VAL HB 1 105 ASP H . . 4.680 4.458 4.027 4.679 . 0 0 "[ . 1 . 2]" 1
1859 1 103 VAL QG 1 104 PHE H . . 4.080 2.417 2.053 2.983 . 0 0 "[ . 1 . 2]" 1
1860 1 103 VAL QG 1 105 ASP H . . 4.600 2.141 1.891 2.648 . 0 0 "[ . 1 . 2]" 1
1861 1 104 PHE H 1 104 PHE HB3 . . 3.000 2.736 2.381 2.974 . 0 0 "[ . 1 . 2]" 1
1862 1 104 PHE H 1 105 ASP H . . 3.220 2.434 2.072 3.003 . 0 0 "[ . 1 . 2]" 1
1863 1 104 PHE HB2 1 105 ASP H . . 4.110 3.810 3.343 4.029 . 0 0 "[ . 1 . 2]" 1
1864 1 104 PHE HB3 1 105 ASP H . . 4.380 3.190 2.143 4.123 . 0 0 "[ . 1 . 2]" 1
1865 1 105 ASP H 1 105 ASP QB . . 3.150 2.633 2.193 3.165 0.015 3 0 "[ . 1 . 2]" 1
stop_
save_