NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473469 |
2a3j   |
6493 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2a3j
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 1574
_Distance_constraint_stats_list.Viol_count 1949
_Distance_constraint_stats_list.Viol_total 950.299
_Distance_constraint_stats_list.Viol_max 0.368
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0244
_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 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 1.627 0.062 8 0 "[ . 1 . 2]"
1 24 PRO 1.627 0.062 8 0 "[ . 1 . 2]"
1 25 HIS 0.008 0.007 20 0 "[ . 1 . 2]"
1 26 THR 0.260 0.136 16 0 "[ . 1 . 2]"
1 27 GLU 1.879 0.152 9 0 "[ . 1 . 2]"
1 28 PRO 0.047 0.018 6 0 "[ . 1 . 2]"
1 29 SER 0.106 0.018 6 0 "[ . 1 . 2]"
1 30 GLN 0.153 0.022 14 0 "[ . 1 . 2]"
1 31 VAL 0.292 0.101 12 0 "[ . 1 . 2]"
1 32 VAL 0.996 0.129 12 0 "[ . 1 . 2]"
1 33 LEU 0.272 0.148 16 0 "[ . 1 . 2]"
1 34 ILE 4.537 0.155 16 0 "[ . 1 . 2]"
1 35 THR 0.930 0.070 13 0 "[ . 1 . 2]"
1 36 ASN 0.281 0.027 1 0 "[ . 1 . 2]"
1 37 ILE 1.969 0.055 14 0 "[ . 1 . 2]"
1 38 ASN 0.078 0.018 20 0 "[ . 1 . 2]"
1 39 PRO 0.994 0.092 14 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 2.270 0.127 13 0 "[ . 1 . 2]"
1 42 PRO 0.534 0.059 13 0 "[ . 1 . 2]"
1 43 LYS 3.721 0.194 10 0 "[ . 1 . 2]"
1 44 GLU 0.607 0.047 4 0 "[ . 1 . 2]"
1 45 LYS 1.089 0.080 15 0 "[ . 1 . 2]"
1 46 LEU 11.205 0.194 10 0 "[ . 1 . 2]"
1 47 GLN 2.681 0.149 14 0 "[ . 1 . 2]"
1 48 ALA 0.761 0.047 4 0 "[ . 1 . 2]"
1 49 LEU 0.856 0.148 14 0 "[ . 1 . 2]"
1 50 LEU 2.908 0.146 14 0 "[ . 1 . 2]"
1 51 TYR 0.286 0.033 14 0 "[ . 1 . 2]"
1 52 ALA 0.096 0.021 12 0 "[ . 1 . 2]"
1 53 LEU 0.748 0.135 14 0 "[ . 1 . 2]"
1 54 ALA 0.283 0.103 7 0 "[ . 1 . 2]"
1 55 SER 0.412 0.068 10 0 "[ . 1 . 2]"
1 56 SER 0.242 0.080 7 0 "[ . 1 . 2]"
1 57 GLN 0.235 0.103 7 0 "[ . 1 . 2]"
1 58 GLY 0.226 0.028 7 0 "[ . 1 . 2]"
1 59 ASP 0.110 0.032 7 0 "[ . 1 . 2]"
1 60 ILE 1.595 0.094 16 0 "[ . 1 . 2]"
1 61 LEU 0.074 0.009 16 0 "[ . 1 . 2]"
1 62 ASP 1.432 0.216 16 0 "[ . 1 . 2]"
1 63 ILE 4.008 0.115 16 0 "[ . 1 . 2]"
1 64 VAL 0.665 0.054 16 0 "[ . 1 . 2]"
1 65 VAL 1.566 0.096 17 0 "[ . 1 . 2]"
1 66 ASP 1.421 0.119 17 0 "[ . 1 . 2]"
1 67 LEU 0.588 0.099 17 0 "[ . 1 . 2]"
1 68 SER 1.045 0.119 17 0 "[ . 1 . 2]"
1 69 ASP 0.116 0.107 17 0 "[ . 1 . 2]"
1 70 ASP 0.107 0.107 17 0 "[ . 1 . 2]"
1 71 ASN 0.404 0.172 17 0 "[ . 1 . 2]"
1 72 SER 0.865 0.172 17 0 "[ . 1 . 2]"
1 73 GLY 0.827 0.099 17 0 "[ . 1 . 2]"
1 74 LYS 1.839 0.066 19 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.647 0.148 16 0 "[ . 1 . 2]"
1 77 ILE 3.523 0.155 16 0 "[ . 1 . 2]"
1 78 VAL 1.145 0.041 16 0 "[ . 1 . 2]"
1 79 PHE 1.285 0.055 7 0 "[ . 1 . 2]"
1 80 ALA 0.362 0.032 20 0 "[ . 1 . 2]"
1 81 THR 0.113 0.017 6 0 "[ . 1 . 2]"
1 82 GLN 0.298 0.022 14 0 "[ . 1 . 2]"
1 83 GLU 0.121 0.014 14 0 "[ . 1 . 2]"
1 84 SER 0.176 0.017 6 0 "[ . 1 . 2]"
1 85 ALA 0.219 0.024 14 0 "[ . 1 . 2]"
1 86 GLN 0.115 0.020 12 0 "[ . 1 . 2]"
1 87 ALA 0.256 0.026 14 0 "[ . 1 . 2]"
1 88 PHE 1.416 0.080 7 0 "[ . 1 . 2]"
1 89 VAL 0.036 0.012 20 0 "[ . 1 . 2]"
1 90 GLU 0.665 0.079 7 0 "[ . 1 . 2]"
1 91 ALA 0.703 0.132 7 0 "[ . 1 . 2]"
1 92 PHE 0.862 0.132 7 0 "[ . 1 . 2]"
1 93 GLN 0.991 0.057 20 0 "[ . 1 . 2]"
1 94 GLY 1.946 0.087 20 0 "[ . 1 . 2]"
1 95 TYR 0.997 0.041 14 0 "[ . 1 . 2]"
1 96 PRO 0.330 0.041 14 0 "[ . 1 . 2]"
1 97 PHE 0.333 0.030 1 0 "[ . 1 . 2]"
1 98 GLN 0.053 0.030 1 0 "[ . 1 . 2]"
1 99 GLY 0.006 0.003 1 0 "[ . 1 . 2]"
1 100 ASN 0.035 0.015 16 0 "[ . 1 . 2]"
1 101 PRO 0.048 0.011 14 0 "[ . 1 . 2]"
1 102 LEU 0.212 0.026 16 0 "[ . 1 . 2]"
1 103 VAL 1.966 0.317 20 0 "[ . 1 . 2]"
1 104 ILE 1.761 0.087 20 0 "[ . 1 . 2]"
1 105 THR 0.614 0.089 16 0 "[ . 1 . 2]"
1 106 PHE 0.972 0.368 18 0 "[ . 1 . 2]"
1 107 SER 0.780 0.368 18 0 "[ . 1 . 2]"
1 108 GLU 0.110 0.077 18 0 "[ . 1 . 2]"
1 109 THR 0.175 0.077 18 0 "[ . 1 . 2]"
1 110 PRO 0.002 0.001 20 0 "[ . 1 . 2]"
1 111 GLN 0.002 0.001 20 0 "[ . 1 . 2]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 VAL 0.399 0.164 15 0 "[ . 1 . 2]"
1 115 ALA 0.135 0.121 15 0 "[ . 1 . 2]"
1 116 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 THR H 1 22 THR HB . . 3.600 3.254 2.678 3.592 . 0 0 "[ . 1 . 2]" 1
2 1 22 THR H 1 23 PRO HD2 . . 6.000 3.917 3.258 4.141 . 0 0 "[ . 1 . 2]" 1
3 1 22 THR H 1 23 PRO HD3 . . 4.150 3.240 2.273 3.679 . 0 0 "[ . 1 . 2]" 1
4 1 22 THR H 1 24 PRO QD . . 5.850 5.222 4.753 5.765 . 0 0 "[ . 1 . 2]" 1
5 1 22 THR HA 1 22 THR MG . . 2.900 2.176 2.037 2.317 . 0 0 "[ . 1 . 2]" 1
6 1 22 THR HA 1 23 PRO HD3 . . 3.630 2.962 2.902 2.993 . 0 0 "[ . 1 . 2]" 1
7 1 22 THR HA 1 24 PRO QD . . 5.320 5.018 5.013 5.026 . 0 0 "[ . 1 . 2]" 1
8 1 22 THR HB 1 23 PRO HD2 . . 5.500 4.640 4.367 4.835 . 0 0 "[ . 1 . 2]" 1
9 1 22 THR MG 1 23 PRO HD2 . . 5.520 3.756 3.498 3.963 . 0 0 "[ . 1 . 2]" 1
10 1 22 THR MG 1 24 PRO QD . . 5.850 4.583 3.725 5.416 . 0 0 "[ . 1 . 2]" 1
11 1 23 PRO HD2 1 24 PRO QB . . 6.840 6.860 6.859 6.861 0.021 11 0 "[ . 1 . 2]" 1
12 1 23 PRO HD3 1 24 PRO QG . . 6.800 6.861 6.861 6.862 0.062 8 0 "[ . 1 . 2]" 1
13 1 24 PRO HA 1 25 HIS QB . . 5.400 4.380 4.031 5.285 . 0 0 "[ . 1 . 2]" 1
14 1 25 HIS HA 1 26 THR H . . 2.400 2.258 2.147 2.407 0.007 20 0 "[ . 1 . 2]" 1
15 1 25 HIS HA 1 27 GLU H . . 4.720 4.092 3.269 4.716 . 0 0 "[ . 1 . 2]" 1
16 1 25 HIS QB 1 26 THR H . . 4.580 3.392 2.417 3.987 . 0 0 "[ . 1 . 2]" 1
17 1 25 HIS QB 1 27 GLU H . . 4.880 4.109 3.040 4.789 . 0 0 "[ . 1 . 2]" 1
18 1 26 THR H 1 26 THR MG . . 3.540 3.172 2.164 3.548 0.008 20 0 "[ . 1 . 2]" 1
19 1 26 THR H 1 27 GLU H . . 3.640 2.698 2.031 3.640 0.000 15 0 "[ . 1 . 2]" 1
20 1 26 THR HA 1 26 THR HB . . 2.900 2.674 2.436 2.937 0.037 16 0 "[ . 1 . 2]" 1
21 1 26 THR HA 1 26 THR MG . . 2.440 2.118 1.960 2.338 . 0 0 "[ . 1 . 2]" 1
22 1 26 THR HA 1 27 GLU H . . 3.570 3.218 2.384 3.573 0.003 18 0 "[ . 1 . 2]" 1
23 1 26 THR HA 1 27 GLU QB . . 5.200 4.856 4.304 5.336 0.136 16 0 "[ . 1 . 2]" 1
24 1 26 THR HB 1 27 GLU H . . 4.360 3.514 2.230 4.362 0.002 8 0 "[ . 1 . 2]" 1
25 1 26 THR HB 1 27 GLU QB . . 4.500 4.039 3.699 4.530 0.030 16 0 "[ . 1 . 2]" 1
26 1 26 THR MG 1 27 GLU H . . 4.380 4.115 3.741 4.387 0.007 20 0 "[ . 1 . 2]" 1
27 1 27 GLU H 1 27 GLU HB2 . . 4.160 3.657 2.347 3.799 . 0 0 "[ . 1 . 2]" 1
28 1 27 GLU H 1 27 GLU QB . . 3.280 3.186 2.317 3.415 0.135 11 0 "[ . 1 . 2]" 1
29 1 27 GLU H 1 27 GLU HB3 . . 4.160 3.597 2.828 4.036 . 0 0 "[ . 1 . 2]" 1
30 1 27 GLU H 1 27 GLU QG . . 2.400 2.303 2.012 2.552 0.152 9 0 "[ . 1 . 2]" 1
31 1 27 GLU H 1 28 PRO HD2 . . 4.990 4.744 4.624 4.811 . 0 0 "[ . 1 . 2]" 1
32 1 27 GLU HA 1 27 GLU QB . . 2.580 2.227 2.169 2.452 . 0 0 "[ . 1 . 2]" 1
33 1 27 GLU HA 1 28 PRO HD2 . . 3.680 2.440 2.398 2.472 . 0 0 "[ . 1 . 2]" 1
34 1 27 GLU HA 1 28 PRO HD3 . . 3.060 2.314 2.297 2.328 . 0 0 "[ . 1 . 2]" 1
35 1 27 GLU HA 1 28 PRO QG . . 5.090 4.026 4.000 4.047 . 0 0 "[ . 1 . 2]" 1
36 1 27 GLU QB 1 28 PRO HD2 . . 2.390 1.950 1.943 1.969 . 0 0 "[ . 1 . 2]" 1
37 1 27 GLU QB 1 28 PRO HD3 . . 4.370 3.268 3.240 3.349 . 0 0 "[ . 1 . 2]" 1
38 1 28 PRO HB2 1 29 SER H . . 3.890 2.670 2.073 3.099 . 0 0 "[ . 1 . 2]" 1
39 1 28 PRO HB3 1 29 SER H . . 3.890 3.535 3.208 3.908 0.018 6 0 "[ . 1 . 2]" 1
40 1 28 PRO QG 1 30 GLN H . . 5.500 5.086 3.480 5.502 0.002 17 0 "[ . 1 . 2]" 1
41 1 29 SER H 1 30 GLN H . . 4.740 3.686 3.030 4.322 . 0 0 "[ . 1 . 2]" 1
42 1 29 SER HA 1 30 GLN H . . 2.480 2.200 2.139 2.417 . 0 0 "[ . 1 . 2]" 1
43 1 29 SER HA 1 30 GLN HG3 . . 4.320 3.946 3.729 4.197 . 0 0 "[ . 1 . 2]" 1
44 1 29 SER HA 1 31 VAL H . . 4.260 3.357 3.168 3.616 . 0 0 "[ . 1 . 2]" 1
45 1 29 SER HA 1 82 GLN QG . . 4.600 4.305 4.084 4.604 0.004 14 0 "[ . 1 . 2]" 1
46 1 29 SER QB 1 30 GLN H . . 3.960 3.638 3.499 3.894 . 0 0 "[ . 1 . 2]" 1
47 1 29 SER QB 1 31 VAL H . . 3.440 3.143 2.843 3.455 0.015 14 0 "[ . 1 . 2]" 1
48 1 29 SER QB 1 31 VAL MG2 . . 3.950 3.326 2.901 3.951 0.001 11 0 "[ . 1 . 2]" 1
49 1 29 SER QB 1 82 GLN HB2 . . 4.440 4.204 3.567 4.405 . 0 0 "[ . 1 . 2]" 1
50 1 29 SER QB 1 82 GLN HB3 . . 5.340 5.219 4.643 5.349 0.009 17 0 "[ . 1 . 2]" 1
51 1 29 SER QB 1 109 THR H . . 5.090 4.801 4.260 5.093 0.003 11 0 "[ . 1 . 2]" 1
52 1 29 SER QB 1 109 THR MG . . 3.910 3.493 2.949 3.900 . 0 0 "[ . 1 . 2]" 1
53 1 29 SER HB2 1 30 GLN H . . 4.820 4.246 3.719 4.648 . 0 0 "[ . 1 . 2]" 1
54 1 29 SER HB3 1 30 GLN H . . 4.820 4.011 3.718 4.538 . 0 0 "[ . 1 . 2]" 1
55 1 30 GLN H 1 30 GLN HB2 . . 2.700 2.672 2.636 2.696 . 0 0 "[ . 1 . 2]" 1
56 1 30 GLN H 1 30 GLN HG3 . . 2.400 2.289 2.173 2.402 0.002 8 0 "[ . 1 . 2]" 1
57 1 30 GLN H 1 31 VAL MG1 . . 3.910 3.514 3.341 3.728 . 0 0 "[ . 1 . 2]" 1
58 1 30 GLN H 1 31 VAL MG2 . . 3.960 3.588 3.361 3.733 . 0 0 "[ . 1 . 2]" 1
59 1 30 GLN H 1 81 THR MG . . 5.500 5.107 4.955 5.378 . 0 0 "[ . 1 . 2]" 1
60 1 30 GLN H 1 82 GLN H . . 4.870 4.876 4.866 4.892 0.022 14 0 "[ . 1 . 2]" 1
61 1 30 GLN H 1 82 GLN HB2 . . 5.500 4.972 4.707 5.076 . 0 0 "[ . 1 . 2]" 1
62 1 30 GLN H 1 109 THR MG . . 3.640 2.713 2.032 3.647 0.007 18 0 "[ . 1 . 2]" 1
63 1 30 GLN HA 1 30 GLN HB3 . . 2.610 2.374 2.369 2.391 . 0 0 "[ . 1 . 2]" 1
64 1 30 GLN HA 1 30 GLN HG2 . . 2.810 2.648 2.590 2.737 . 0 0 "[ . 1 . 2]" 1
65 1 30 GLN HA 1 30 GLN HG3 . . 3.590 3.381 3.152 3.461 . 0 0 "[ . 1 . 2]" 1
66 1 30 GLN HA 1 31 VAL H . . 3.380 3.061 2.918 3.391 0.011 15 0 "[ . 1 . 2]" 1
67 1 30 GLN HA 1 82 GLN H . . 4.240 3.206 2.875 3.484 . 0 0 "[ . 1 . 2]" 1
68 1 30 GLN HA 1 82 GLN HA . . 4.280 3.154 2.858 3.425 . 0 0 "[ . 1 . 2]" 1
69 1 30 GLN HA 1 82 GLN HB2 . . 4.530 4.093 3.563 4.452 . 0 0 "[ . 1 . 2]" 1
70 1 30 GLN HA 1 85 ALA H . . 5.350 4.767 4.576 4.931 . 0 0 "[ . 1 . 2]" 1
71 1 30 GLN HA 1 85 ALA MB . . 4.380 3.220 3.009 3.359 . 0 0 "[ . 1 . 2]" 1
72 1 30 GLN HB2 1 31 VAL HA . . 4.840 4.743 4.412 4.843 0.003 17 0 "[ . 1 . 2]" 1
73 1 30 GLN HB3 1 81 THR H . . 4.730 3.914 3.664 4.238 . 0 0 "[ . 1 . 2]" 1
74 1 30 GLN HG2 1 82 GLN H . . 3.390 2.626 2.354 2.932 . 0 0 "[ . 1 . 2]" 1
75 1 30 GLN HG3 1 31 VAL MG1 . . 5.500 4.662 4.581 4.799 . 0 0 "[ . 1 . 2]" 1
76 1 30 GLN HG3 1 31 VAL MG2 . . 5.500 5.438 5.290 5.503 0.003 19 0 "[ . 1 . 2]" 1
77 1 30 GLN HG3 1 78 VAL QG . . 5.500 5.288 5.160 5.501 0.001 6 0 "[ . 1 . 2]" 1
78 1 31 VAL H 1 31 VAL HB . . 3.960 3.887 3.738 3.932 . 0 0 "[ . 1 . 2]" 1
79 1 31 VAL H 1 31 VAL MG1 . . 3.170 2.963 2.661 3.011 . 0 0 "[ . 1 . 2]" 1
80 1 31 VAL H 1 31 VAL MG2 . . 2.590 2.234 2.082 2.344 . 0 0 "[ . 1 . 2]" 1
81 1 31 VAL H 1 32 VAL H . . 4.500 4.400 4.329 4.504 0.004 15 0 "[ . 1 . 2]" 1
82 1 31 VAL H 1 32 VAL MG1 . . 4.760 4.097 3.917 4.503 . 0 0 "[ . 1 . 2]" 1
83 1 31 VAL H 1 85 ALA MB . . 5.500 4.054 3.851 4.553 . 0 0 "[ . 1 . 2]" 1
84 1 31 VAL H 1 106 PHE QD . . 5.140 4.664 4.307 5.171 0.031 18 0 "[ . 1 . 2]" 1
85 1 31 VAL H 1 107 SER QB . . 5.340 4.543 4.034 5.274 . 0 0 "[ . 1 . 2]" 1
86 1 31 VAL H 1 109 THR MG . . 5.500 3.361 2.912 4.316 . 0 0 "[ . 1 . 2]" 1
87 1 31 VAL HA 1 31 VAL MG1 . . 3.340 2.333 2.316 2.412 . 0 0 "[ . 1 . 2]" 1
88 1 31 VAL HA 1 32 VAL H . . 2.400 2.262 2.206 2.392 . 0 0 "[ . 1 . 2]" 1
89 1 31 VAL HA 1 78 VAL HA . . 3.980 2.071 2.012 2.189 . 0 0 "[ . 1 . 2]" 1
90 1 31 VAL HA 1 78 VAL QG . . 2.970 2.912 2.793 2.979 0.009 18 0 "[ . 1 . 2]" 1
91 1 31 VAL HA 1 79 PHE H . . 3.910 2.734 2.487 3.079 . 0 0 "[ . 1 . 2]" 1
92 1 31 VAL HB 1 78 VAL H . . 5.440 5.019 4.723 5.393 . 0 0 "[ . 1 . 2]" 1
93 1 31 VAL HB 1 107 SER QB . . 4.350 3.793 3.532 4.303 . 0 0 "[ . 1 . 2]" 1
94 1 31 VAL MG1 1 32 VAL H . . 4.020 3.900 3.804 3.970 . 0 0 "[ . 1 . 2]" 1
95 1 31 VAL MG1 1 78 VAL HA . . 2.900 2.659 2.569 2.929 0.029 12 0 "[ . 1 . 2]" 1
96 1 31 VAL MG1 1 79 PHE H . . 4.840 3.458 3.191 3.969 . 0 0 "[ . 1 . 2]" 1
97 1 31 VAL MG2 1 76 TYR QD . . 5.290 4.823 4.595 5.113 . 0 0 "[ . 1 . 2]" 1
98 1 31 VAL MG2 1 107 SER HA . . 5.500 4.274 4.011 5.047 . 0 0 "[ . 1 . 2]" 1
99 1 31 VAL MG2 1 107 SER HB2 . . 3.160 2.298 1.924 3.178 0.018 12 0 "[ . 1 . 2]" 1
100 1 31 VAL MG2 1 107 SER QB . . 2.330 1.960 1.815 2.431 0.101 12 0 "[ . 1 . 2]" 1
101 1 31 VAL MG2 1 107 SER HB3 . . 3.160 2.201 1.930 3.162 0.002 16 0 "[ . 1 . 2]" 1
102 1 32 VAL H 1 32 VAL HB . . 3.910 3.841 3.789 3.882 . 0 0 "[ . 1 . 2]" 1
103 1 32 VAL H 1 32 VAL MG1 . . 2.700 2.663 2.535 2.772 0.072 12 0 "[ . 1 . 2]" 1
104 1 32 VAL H 1 32 VAL MG2 . . 2.400 2.201 2.159 2.262 . 0 0 "[ . 1 . 2]" 1
105 1 32 VAL H 1 76 TYR HA . . 5.310 4.553 4.354 4.794 . 0 0 "[ . 1 . 2]" 1
106 1 32 VAL H 1 77 ILE HB . . 4.550 4.034 3.933 4.246 . 0 0 "[ . 1 . 2]" 1
107 1 32 VAL H 1 78 VAL H . . 5.330 4.638 4.576 4.708 . 0 0 "[ . 1 . 2]" 1
108 1 32 VAL H 1 78 VAL HA . . 3.570 3.182 2.989 3.336 . 0 0 "[ . 1 . 2]" 1
109 1 32 VAL H 1 79 PHE QD . . 4.420 3.914 3.719 4.269 . 0 0 "[ . 1 . 2]" 1
110 1 32 VAL H 1 79 PHE QE . . 5.040 4.754 4.591 5.036 . 0 0 "[ . 1 . 2]" 1
111 1 32 VAL H 1 89 VAL MG2 . . 5.500 5.443 5.309 5.512 0.012 20 0 "[ . 1 . 2]" 1
112 1 32 VAL HA 1 32 VAL MG1 . . 2.980 2.444 2.426 2.469 . 0 0 "[ . 1 . 2]" 1
113 1 32 VAL HA 1 33 LEU H . . 2.400 2.206 2.183 2.282 . 0 0 "[ . 1 . 2]" 1
114 1 32 VAL HA 1 89 VAL MG2 . . 5.160 4.234 3.952 4.374 . 0 0 "[ . 1 . 2]" 1
115 1 32 VAL HA 1 105 THR HA . . 5.500 5.452 5.225 5.537 0.037 16 0 "[ . 1 . 2]" 1
116 1 32 VAL HA 1 106 PHE HA . . 4.130 2.203 2.119 2.375 . 0 0 "[ . 1 . 2]" 1
117 1 32 VAL HA 1 107 SER QB . . 3.840 3.162 2.957 3.587 . 0 0 "[ . 1 . 2]" 1
118 1 32 VAL HB 1 33 LEU H . . 3.860 2.979 2.728 3.069 . 0 0 "[ . 1 . 2]" 1
119 1 32 VAL HB 1 77 ILE H . . 4.690 4.608 4.560 4.691 0.001 16 0 "[ . 1 . 2]" 1
120 1 32 VAL HB 1 77 ILE HB . . 4.700 4.694 4.617 4.705 0.005 20 0 "[ . 1 . 2]" 1
121 1 32 VAL HB 1 79 PHE QE . . 4.950 4.535 4.407 4.595 . 0 0 "[ . 1 . 2]" 1
122 1 32 VAL MG1 1 33 LEU H . . 4.460 3.998 3.917 4.031 . 0 0 "[ . 1 . 2]" 1
123 1 32 VAL MG1 1 77 ILE MD . . 5.500 4.802 4.729 4.960 . 0 0 "[ . 1 . 2]" 1
124 1 32 VAL MG1 1 77 ILE MG . . 4.810 4.436 4.373 4.536 . 0 0 "[ . 1 . 2]" 1
125 1 32 VAL MG1 1 78 VAL HA . . 4.330 4.350 4.312 4.366 0.036 17 0 "[ . 1 . 2]" 1
126 1 32 VAL MG1 1 79 PHE QD . . 2.550 2.426 2.269 2.536 . 0 0 "[ . 1 . 2]" 1
127 1 32 VAL MG1 1 79 PHE QE . . 3.030 2.891 2.662 3.052 0.022 16 0 "[ . 1 . 2]" 1
128 1 32 VAL MG1 1 85 ALA HA . . 4.400 2.987 2.779 3.184 . 0 0 "[ . 1 . 2]" 1
129 1 32 VAL MG1 1 85 ALA MB . . 2.400 1.927 1.828 2.082 . 0 0 "[ . 1 . 2]" 1
130 1 32 VAL MG1 1 86 GLN HA . . 5.500 4.400 4.122 4.689 . 0 0 "[ . 1 . 2]" 1
131 1 32 VAL MG1 1 89 VAL MG2 . . 2.900 2.133 2.022 2.222 . 0 0 "[ . 1 . 2]" 1
132 1 32 VAL MG1 1 106 PHE HA . . 4.600 2.651 2.247 2.945 . 0 0 "[ . 1 . 2]" 1
133 1 32 VAL MG1 1 106 PHE QD . . 3.740 2.954 2.883 3.615 . 0 0 "[ . 1 . 2]" 1
134 1 32 VAL MG2 1 77 ILE H . . 2.400 2.040 1.972 2.186 . 0 0 "[ . 1 . 2]" 1
135 1 32 VAL MG2 1 77 ILE HB . . 3.020 1.992 1.979 2.019 . 0 0 "[ . 1 . 2]" 1
136 1 32 VAL MG2 1 77 ILE MD . . 3.160 3.022 2.911 3.113 . 0 0 "[ . 1 . 2]" 1
137 1 32 VAL MG2 1 77 ILE MG . . 5.180 3.191 3.143 3.218 . 0 0 "[ . 1 . 2]" 1
138 1 32 VAL MG2 1 79 PHE QD . . 3.550 2.962 2.663 3.064 . 0 0 "[ . 1 . 2]" 1
139 1 32 VAL MG2 1 79 PHE QE . . 4.100 1.980 1.970 2.042 . 0 0 "[ . 1 . 2]" 1
140 1 32 VAL MG2 1 79 PHE HZ . . 5.170 4.084 4.045 4.149 . 0 0 "[ . 1 . 2]" 1
141 1 32 VAL MG2 1 85 ALA HA . . 5.100 4.270 4.031 4.492 . 0 0 "[ . 1 . 2]" 1
142 1 32 VAL MG2 1 85 ALA MB . . 4.480 3.666 3.431 3.820 . 0 0 "[ . 1 . 2]" 1
143 1 32 VAL MG2 1 88 PHE QD . . 5.060 3.450 3.126 3.778 . 0 0 "[ . 1 . 2]" 1
144 1 32 VAL MG2 1 88 PHE QE . . 4.580 3.578 3.039 3.935 . 0 0 "[ . 1 . 2]" 1
145 1 32 VAL MG2 1 89 VAL MG2 . . 4.130 3.254 3.102 3.378 . 0 0 "[ . 1 . 2]" 1
146 1 32 VAL MG2 1 104 ILE HA . . 4.730 4.468 4.129 4.616 . 0 0 "[ . 1 . 2]" 1
147 1 32 VAL MG2 1 104 ILE HB . . 5.100 4.407 4.221 4.569 . 0 0 "[ . 1 . 2]" 1
148 1 32 VAL MG2 1 106 PHE QD . . 5.500 5.513 5.494 5.629 0.129 12 0 "[ . 1 . 2]" 1
149 1 33 LEU H 1 33 LEU QB . . 2.490 2.275 2.246 2.465 . 0 0 "[ . 1 . 2]" 1
150 1 33 LEU H 1 33 LEU MD1 . . 5.220 4.274 4.247 4.510 . 0 0 "[ . 1 . 2]" 1
151 1 33 LEU H 1 33 LEU QD . . 4.410 3.812 3.755 3.826 . 0 0 "[ . 1 . 2]" 1
152 1 33 LEU H 1 33 LEU MD2 . . 5.220 4.290 4.017 4.337 . 0 0 "[ . 1 . 2]" 1
153 1 33 LEU H 1 34 ILE H . . 5.110 4.371 4.316 4.455 . 0 0 "[ . 1 . 2]" 1
154 1 33 LEU H 1 34 ILE MG . . 4.860 4.294 4.179 4.329 . 0 0 "[ . 1 . 2]" 1
155 1 33 LEU H 1 106 PHE HA . . 4.410 3.317 3.035 3.609 . 0 0 "[ . 1 . 2]" 1
156 1 33 LEU H 1 107 SER H . . 4.790 4.397 2.496 4.797 0.007 16 0 "[ . 1 . 2]" 1
157 1 33 LEU H 1 107 SER QB . . 5.340 3.343 2.475 4.001 . 0 0 "[ . 1 . 2]" 1
158 1 33 LEU HA 1 33 LEU QD . . 3.850 2.225 2.160 2.998 . 0 0 "[ . 1 . 2]" 1
159 1 33 LEU HA 1 34 ILE H . . 3.340 2.145 2.139 2.207 . 0 0 "[ . 1 . 2]" 1
160 1 33 LEU HA 1 76 TYR H . . 5.500 5.028 4.844 5.271 . 0 0 "[ . 1 . 2]" 1
161 1 33 LEU HA 1 76 TYR HA . . 4.380 2.442 2.148 2.740 . 0 0 "[ . 1 . 2]" 1
162 1 33 LEU HA 1 77 ILE H . . 5.180 3.750 3.329 4.024 . 0 0 "[ . 1 . 2]" 1
163 1 33 LEU QB 1 33 LEU QD . . 2.130 1.932 1.863 1.948 . 0 0 "[ . 1 . 2]" 1
164 1 33 LEU QB 1 76 TYR HA . . 5.340 4.204 4.046 4.784 . 0 0 "[ . 1 . 2]" 1
165 1 33 LEU QB 1 76 TYR QD . . 4.590 2.080 1.979 3.285 . 0 0 "[ . 1 . 2]" 1
166 1 33 LEU QB 1 76 TYR QE . . 4.040 3.072 2.754 4.082 0.042 12 0 "[ . 1 . 2]" 1
167 1 33 LEU QB 1 107 SER QB . . 3.680 3.015 1.968 3.526 . 0 0 "[ . 1 . 2]" 1
168 1 33 LEU QB 1 108 GLU H . . 5.340 5.114 3.917 5.342 0.002 17 0 "[ . 1 . 2]" 1
169 1 33 LEU HB2 1 76 TYR QD . . 5.390 2.094 1.987 3.379 . 0 0 "[ . 1 . 2]" 1
170 1 33 LEU HB2 1 107 SER HB2 . . 4.950 3.498 1.993 4.274 . 0 0 "[ . 1 . 2]" 1
171 1 33 LEU HB2 1 107 SER HB3 . . 4.950 4.404 2.705 4.698 . 0 0 "[ . 1 . 2]" 1
172 1 33 LEU HB3 1 76 TYR QD . . 5.390 3.740 3.670 4.481 . 0 0 "[ . 1 . 2]" 1
173 1 33 LEU HB3 1 107 SER HB2 . . 4.950 3.618 3.200 4.280 . 0 0 "[ . 1 . 2]" 1
174 1 33 LEU HB3 1 107 SER HB3 . . 4.950 4.748 2.847 4.963 0.013 16 0 "[ . 1 . 2]" 1
175 1 33 LEU QD 1 34 ILE H . . 3.670 2.327 2.050 2.467 . 0 0 "[ . 1 . 2]" 1
176 1 33 LEU QD 1 34 ILE HG12 . . 5.440 3.556 3.425 3.726 . 0 0 "[ . 1 . 2]" 1
177 1 33 LEU QD 1 35 THR H . . 4.840 4.087 3.751 4.164 . 0 0 "[ . 1 . 2]" 1
178 1 33 LEU QD 1 35 THR MG . . 3.140 2.020 1.887 2.111 . 0 0 "[ . 1 . 2]" 1
179 1 33 LEU QD 1 74 LYS HA . . 5.070 4.339 3.943 4.430 . 0 0 "[ . 1 . 2]" 1
180 1 33 LEU QD 1 74 LYS HB2 . . 3.200 2.702 2.614 2.792 . 0 0 "[ . 1 . 2]" 1
181 1 33 LEU QD 1 74 LYS HB3 . . 5.440 3.803 3.608 3.939 . 0 0 "[ . 1 . 2]" 1
182 1 33 LEU QD 1 74 LYS QD . . 4.210 3.222 2.330 4.144 . 0 0 "[ . 1 . 2]" 1
183 1 33 LEU QD 1 74 LYS QE . . 5.240 3.641 2.625 4.451 . 0 0 "[ . 1 . 2]" 1
184 1 33 LEU QD 1 74 LYS QG . . 3.840 3.551 3.106 3.856 0.016 16 0 "[ . 1 . 2]" 1
185 1 33 LEU QD 1 75 ALA H . . 3.980 2.982 2.878 3.128 . 0 0 "[ . 1 . 2]" 1
186 1 33 LEU QD 1 76 TYR H . . 5.040 4.773 4.692 5.188 0.148 16 0 "[ . 1 . 2]" 1
187 1 33 LEU QD 1 76 TYR HA . . 4.740 3.547 3.450 4.078 . 0 0 "[ . 1 . 2]" 1
188 1 33 LEU QD 1 76 TYR QD . . 4.660 2.308 2.059 2.964 . 0 0 "[ . 1 . 2]" 1
189 1 33 LEU QD 1 76 TYR QE . . 3.710 1.976 1.894 2.499 . 0 0 "[ . 1 . 2]" 1
190 1 33 LEU QD 1 107 SER QB . . 4.470 3.957 3.004 4.377 . 0 0 "[ . 1 . 2]" 1
191 1 33 LEU MD1 1 76 TYR QE . . 4.950 2.071 1.921 2.695 . 0 0 "[ . 1 . 2]" 1
192 1 33 LEU MD2 1 76 TYR QE . . 4.950 2.591 2.248 3.740 . 0 0 "[ . 1 . 2]" 1
193 1 34 ILE H 1 34 ILE HB . . 3.920 3.739 3.717 3.811 . 0 0 "[ . 1 . 2]" 1
194 1 34 ILE H 1 34 ILE MD . . 2.880 2.071 1.967 2.341 . 0 0 "[ . 1 . 2]" 1
195 1 34 ILE H 1 34 ILE HG12 . . 2.590 2.361 2.299 2.465 . 0 0 "[ . 1 . 2]" 1
196 1 34 ILE H 1 34 ILE HG13 . . 5.230 3.758 3.724 3.869 . 0 0 "[ . 1 . 2]" 1
197 1 34 ILE H 1 34 ILE MG . . 2.900 2.697 2.623 2.856 . 0 0 "[ . 1 . 2]" 1
198 1 34 ILE H 1 35 THR H . . 5.500 4.511 4.453 4.532 . 0 0 "[ . 1 . 2]" 1
199 1 34 ILE H 1 35 THR MG . . 4.080 3.993 3.862 4.056 . 0 0 "[ . 1 . 2]" 1
200 1 34 ILE H 1 37 ILE MD . . 5.500 5.381 5.219 5.484 . 0 0 "[ . 1 . 2]" 1
201 1 34 ILE H 1 74 LYS HA . . 5.500 5.391 5.145 5.493 . 0 0 "[ . 1 . 2]" 1
202 1 34 ILE H 1 75 ALA H . . 3.540 3.284 3.069 3.417 . 0 0 "[ . 1 . 2]" 1
203 1 34 ILE H 1 76 TYR HA . . 4.430 2.839 2.757 3.134 . 0 0 "[ . 1 . 2]" 1
204 1 34 ILE H 1 77 ILE H . . 5.500 4.211 4.106 4.521 . 0 0 "[ . 1 . 2]" 1
205 1 34 ILE HA 1 34 ILE MD . . 4.630 3.723 3.681 3.792 . 0 0 "[ . 1 . 2]" 1
206 1 34 ILE HA 1 34 ILE MG . . 2.850 2.369 2.361 2.382 . 0 0 "[ . 1 . 2]" 1
207 1 34 ILE HA 1 35 THR H . . 2.400 2.260 2.242 2.286 . 0 0 "[ . 1 . 2]" 1
208 1 34 ILE HA 1 103 VAL H . . 5.500 5.019 4.590 5.212 . 0 0 "[ . 1 . 2]" 1
209 1 34 ILE HA 1 103 VAL QG . . 5.290 3.105 2.933 3.924 . 0 0 "[ . 1 . 2]" 1
210 1 34 ILE HA 1 104 ILE HA . . 3.900 3.031 2.831 3.177 . 0 0 "[ . 1 . 2]" 1
211 1 34 ILE HA 1 104 ILE MG . . 5.120 3.803 3.732 3.895 . 0 0 "[ . 1 . 2]" 1
212 1 34 ILE HB 1 35 THR H . . 3.340 2.757 2.680 2.815 . 0 0 "[ . 1 . 2]" 1
213 1 34 ILE HB 1 37 ILE MG . . 4.180 3.326 3.185 3.574 . 0 0 "[ . 1 . 2]" 1
214 1 34 ILE HB 1 50 LEU MD2 . . 5.020 4.631 4.368 5.046 0.026 14 0 "[ . 1 . 2]" 1
215 1 34 ILE HB 1 77 ILE MD . . 5.340 4.778 4.668 4.838 . 0 0 "[ . 1 . 2]" 1
216 1 34 ILE HB 1 77 ILE HG13 . . 5.370 5.380 5.330 5.403 0.033 19 0 "[ . 1 . 2]" 1
217 1 34 ILE MD 1 37 ILE MD . . 4.020 3.995 3.893 4.037 0.017 17 0 "[ . 1 . 2]" 1
218 1 34 ILE MD 1 50 LEU HA . . 5.500 5.534 5.478 5.557 0.057 20 0 "[ . 1 . 2]" 1
219 1 34 ILE MD 1 50 LEU MD1 . . 2.490 2.500 2.445 2.564 0.074 14 0 "[ . 1 . 2]" 1
220 1 34 ILE MD 1 75 ALA H . . 3.740 3.433 3.321 3.520 . 0 0 "[ . 1 . 2]" 1
221 1 34 ILE MD 1 75 ALA HA . . 4.140 3.732 3.719 3.745 . 0 0 "[ . 1 . 2]" 1
222 1 34 ILE MD 1 75 ALA MB . . 3.250 1.970 1.920 1.997 . 0 0 "[ . 1 . 2]" 1
223 1 34 ILE MD 1 76 TYR H . . 3.570 2.845 2.795 3.074 . 0 0 "[ . 1 . 2]" 1
224 1 34 ILE MD 1 77 ILE H . . 2.660 2.722 2.690 2.815 0.155 16 0 "[ . 1 . 2]" 1
225 1 34 ILE MD 1 77 ILE HB . . 4.060 3.722 3.691 3.739 . 0 0 "[ . 1 . 2]" 1
226 1 34 ILE MD 1 77 ILE MD . . 2.630 2.321 2.209 2.442 . 0 0 "[ . 1 . 2]" 1
227 1 34 ILE MD 1 77 ILE HG12 . . 3.710 2.960 2.925 2.978 . 0 0 "[ . 1 . 2]" 1
228 1 34 ILE MD 1 77 ILE HG13 . . 4.200 1.887 1.871 1.893 . 0 0 "[ . 1 . 2]" 1
229 1 34 ILE MD 1 77 ILE MG . . 4.430 4.189 4.159 4.200 . 0 0 "[ . 1 . 2]" 1
230 1 34 ILE HG12 1 74 LYS HA . . 5.500 3.795 3.659 3.936 . 0 0 "[ . 1 . 2]" 1
231 1 34 ILE HG12 1 75 ALA H . . 2.550 2.271 2.175 2.395 . 0 0 "[ . 1 . 2]" 1
232 1 34 ILE HG13 1 37 ILE MD . . 3.630 3.278 3.190 3.453 . 0 0 "[ . 1 . 2]" 1
233 1 34 ILE HG13 1 75 ALA MB . . 3.990 2.578 2.461 2.835 . 0 0 "[ . 1 . 2]" 1
234 1 34 ILE HG13 1 76 TYR HA . . 5.500 5.083 5.018 5.334 . 0 0 "[ . 1 . 2]" 1
235 1 34 ILE MG 1 75 ALA H . . 5.320 4.858 4.759 4.933 . 0 0 "[ . 1 . 2]" 1
236 1 34 ILE MG 1 76 TYR HA . . 4.020 3.819 3.766 3.956 . 0 0 "[ . 1 . 2]" 1
237 1 34 ILE MG 1 77 ILE H . . 3.610 3.682 3.663 3.731 0.121 16 0 "[ . 1 . 2]" 1
238 1 34 ILE MG 1 77 ILE MD . . 2.710 2.690 2.585 2.728 0.018 13 0 "[ . 1 . 2]" 1
239 1 34 ILE MG 1 77 ILE HG13 . . 4.460 3.040 3.023 3.075 . 0 0 "[ . 1 . 2]" 1
240 1 34 ILE MG 1 88 PHE QE . . 3.930 3.334 2.990 3.478 . 0 0 "[ . 1 . 2]" 1
241 1 34 ILE MG 1 104 ILE HA . . 3.120 2.286 2.186 2.336 . 0 0 "[ . 1 . 2]" 1
242 1 34 ILE MG 1 104 ILE HB . . 4.020 3.750 3.654 3.906 . 0 0 "[ . 1 . 2]" 1
243 1 34 ILE MG 1 104 ILE MD . . 4.180 3.588 3.283 3.720 . 0 0 "[ . 1 . 2]" 1
244 1 34 ILE MG 1 105 THR H . . 3.360 3.382 3.331 3.449 0.089 16 0 "[ . 1 . 2]" 1
245 1 35 THR H 1 35 THR HB . . 4.190 3.936 3.923 3.950 . 0 0 "[ . 1 . 2]" 1
246 1 35 THR H 1 35 THR MG . . 3.280 2.910 2.809 3.001 . 0 0 "[ . 1 . 2]" 1
247 1 35 THR H 1 36 ASN H . . 4.550 4.364 4.359 4.370 . 0 0 "[ . 1 . 2]" 1
248 1 35 THR H 1 36 ASN QB . . 5.340 4.082 3.970 4.189 . 0 0 "[ . 1 . 2]" 1
249 1 35 THR H 1 37 ILE MD . . 5.500 5.278 5.228 5.442 . 0 0 "[ . 1 . 2]" 1
250 1 35 THR H 1 37 ILE MG . . 5.300 3.848 3.703 4.032 . 0 0 "[ . 1 . 2]" 1
251 1 35 THR H 1 103 VAL H . . 4.370 3.787 3.362 3.928 . 0 0 "[ . 1 . 2]" 1
252 1 35 THR H 1 103 VAL HB . . 4.560 4.453 2.915 4.630 0.070 13 0 "[ . 1 . 2]" 1
253 1 35 THR H 1 103 VAL QG . . 2.400 1.928 1.842 2.461 0.061 20 0 "[ . 1 . 2]" 1
254 1 35 THR H 1 104 ILE HA . . 5.080 4.464 4.329 4.811 . 0 0 "[ . 1 . 2]" 1
255 1 35 THR H 1 104 ILE MD . . 5.500 5.377 5.135 5.476 . 0 0 "[ . 1 . 2]" 1
256 1 35 THR HA 1 37 ILE H . . 4.420 3.267 3.119 3.661 . 0 0 "[ . 1 . 2]" 1
257 1 35 THR HA 1 37 ILE MD . . 4.360 3.785 3.731 3.920 . 0 0 "[ . 1 . 2]" 1
258 1 35 THR HA 1 74 LYS HA . . 4.170 2.399 2.295 2.474 . 0 0 "[ . 1 . 2]" 1
259 1 35 THR HA 1 75 ALA H . . 3.970 3.628 3.547 3.729 . 0 0 "[ . 1 . 2]" 1
260 1 35 THR HB 1 36 ASN H . . 3.110 2.000 1.952 2.049 . 0 0 "[ . 1 . 2]" 1
261 1 35 THR HB 1 37 ILE H . . 5.130 4.272 4.172 4.510 . 0 0 "[ . 1 . 2]" 1
262 1 35 THR HB 1 103 VAL QG . . 5.440 3.679 3.556 3.997 . 0 0 "[ . 1 . 2]" 1
263 1 35 THR MG 1 36 ASN H . . 3.910 3.642 3.592 3.688 . 0 0 "[ . 1 . 2]" 1
264 1 35 THR MG 1 74 LYS HA . . 4.900 3.623 3.223 3.848 . 0 0 "[ . 1 . 2]" 1
265 1 35 THR MG 1 74 LYS HB3 . . 5.340 2.594 2.361 3.001 . 0 0 "[ . 1 . 2]" 1
266 1 35 THR MG 1 74 LYS QE . . 5.500 3.925 3.008 4.585 . 0 0 "[ . 1 . 2]" 1
267 1 36 ASN H 1 36 ASN QB . . 3.530 2.997 2.939 3.079 . 0 0 "[ . 1 . 2]" 1
268 1 36 ASN H 1 37 ILE H . . 3.530 2.610 2.575 2.728 . 0 0 "[ . 1 . 2]" 1
269 1 36 ASN H 1 37 ILE MD . . 5.150 5.154 5.132 5.170 0.020 1 0 "[ . 1 . 2]" 1
270 1 36 ASN H 1 37 ILE MG . . 4.270 4.275 4.254 4.297 0.027 1 0 "[ . 1 . 2]" 1
271 1 36 ASN H 1 74 LYS HA . . 4.650 4.263 4.148 4.338 . 0 0 "[ . 1 . 2]" 1
272 1 36 ASN H 1 103 VAL QG . . 4.290 3.803 3.678 3.971 . 0 0 "[ . 1 . 2]" 1
273 1 36 ASN QB 1 37 ILE MG . . 5.340 3.959 3.877 4.115 . 0 0 "[ . 1 . 2]" 1
274 1 36 ASN QB 1 103 VAL QG . . 2.580 2.185 1.962 2.492 . 0 0 "[ . 1 . 2]" 1
275 1 36 ASN HB2 1 103 VAL H . . 5.140 4.204 3.766 4.675 . 0 0 "[ . 1 . 2]" 1
276 1 36 ASN HB3 1 103 VAL H . . 5.140 3.800 3.454 4.250 . 0 0 "[ . 1 . 2]" 1
277 1 37 ILE H 1 37 ILE HB . . 3.700 3.663 3.627 3.712 0.012 14 0 "[ . 1 . 2]" 1
278 1 37 ILE H 1 37 ILE MD . . 4.400 3.676 3.633 3.774 . 0 0 "[ . 1 . 2]" 1
279 1 37 ILE H 1 37 ILE HG12 . . 2.500 2.012 1.940 2.227 . 0 0 "[ . 1 . 2]" 1
280 1 37 ILE H 1 37 ILE HG13 . . 2.870 2.671 2.500 2.782 . 0 0 "[ . 1 . 2]" 1
281 1 37 ILE H 1 37 ILE MG . . 3.010 2.722 2.570 2.993 . 0 0 "[ . 1 . 2]" 1
282 1 37 ILE H 1 38 ASN H . . 4.600 4.519 4.425 4.568 . 0 0 "[ . 1 . 2]" 1
283 1 37 ILE H 1 73 GLY HA2 . . 5.420 5.050 4.828 5.223 . 0 0 "[ . 1 . 2]" 1
284 1 37 ILE H 1 74 LYS HA . . 5.030 3.672 3.522 4.046 . 0 0 "[ . 1 . 2]" 1
285 1 37 ILE HA 1 37 ILE HB . . 2.670 2.510 2.497 2.533 . 0 0 "[ . 1 . 2]" 1
286 1 37 ILE HA 1 37 ILE HG12 . . 3.680 3.727 3.723 3.735 0.055 14 0 "[ . 1 . 2]" 1
287 1 37 ILE HA 1 37 ILE HG13 . . 3.920 3.688 3.666 3.696 . 0 0 "[ . 1 . 2]" 1
288 1 37 ILE HA 1 37 ILE MG . . 2.400 2.285 2.248 2.316 . 0 0 "[ . 1 . 2]" 1
289 1 37 ILE HA 1 38 ASN H . . 2.840 2.194 2.175 2.249 . 0 0 "[ . 1 . 2]" 1
290 1 37 ILE HA 1 38 ASN QB . . 4.410 4.027 4.015 4.039 . 0 0 "[ . 1 . 2]" 1
291 1 37 ILE HB 1 37 ILE MD . . 3.010 2.269 2.219 2.353 . 0 0 "[ . 1 . 2]" 1
292 1 37 ILE HB 1 38 ASN H . . 4.820 3.015 2.797 3.107 . 0 0 "[ . 1 . 2]" 1
293 1 37 ILE HB 1 73 GLY HA2 . . 5.500 5.496 5.435 5.533 0.033 1 0 "[ . 1 . 2]" 1
294 1 37 ILE HB 1 73 GLY HA3 . . 5.250 5.158 4.982 5.230 . 0 0 "[ . 1 . 2]" 1
295 1 37 ILE MD 1 37 ILE MG . . 3.490 2.160 2.022 2.241 . 0 0 "[ . 1 . 2]" 1
296 1 37 ILE MD 1 38 ASN H . . 4.820 4.787 4.604 4.838 0.018 20 0 "[ . 1 . 2]" 1
297 1 37 ILE MD 1 46 LEU QD . . 3.730 2.242 1.892 2.471 . 0 0 "[ . 1 . 2]" 1
298 1 37 ILE MD 1 65 VAL HA . . 5.500 4.672 4.411 4.835 . 0 0 "[ . 1 . 2]" 1
299 1 37 ILE MD 1 68 SER QB . . 5.450 4.764 4.647 5.069 . 0 0 "[ . 1 . 2]" 1
300 1 37 ILE MD 1 73 GLY H . . 5.310 5.150 5.052 5.189 . 0 0 "[ . 1 . 2]" 1
301 1 37 ILE MD 1 73 GLY HA2 . . 5.500 3.280 3.134 3.328 . 0 0 "[ . 1 . 2]" 1
302 1 37 ILE MD 1 73 GLY HA3 . . 3.870 3.871 3.569 3.899 0.029 9 0 "[ . 1 . 2]" 1
303 1 37 ILE MD 1 74 LYS H . . 2.700 2.679 2.582 2.729 0.029 17 0 "[ . 1 . 2]" 1
304 1 37 ILE MD 1 74 LYS HA . . 4.270 2.231 2.088 2.763 . 0 0 "[ . 1 . 2]" 1
305 1 37 ILE MD 1 75 ALA H . . 4.020 3.187 3.034 3.415 . 0 0 "[ . 1 . 2]" 1
306 1 37 ILE MD 1 75 ALA MB . . 3.250 2.428 2.242 2.570 . 0 0 "[ . 1 . 2]" 1
307 1 37 ILE HG12 1 37 ILE MG . . 2.820 2.336 2.294 2.363 . 0 0 "[ . 1 . 2]" 1
308 1 37 ILE HG12 1 73 GLY HA3 . . 5.030 3.932 3.540 4.063 . 0 0 "[ . 1 . 2]" 1
309 1 37 ILE HG13 1 73 GLY HA2 . . 4.520 3.181 3.141 3.217 . 0 0 "[ . 1 . 2]" 1
310 1 37 ILE HG13 1 73 GLY HA3 . . 2.850 2.835 2.552 2.868 0.018 4 0 "[ . 1 . 2]" 1
311 1 37 ILE MG 1 38 ASN H . . 4.870 3.731 3.623 3.769 . 0 0 "[ . 1 . 2]" 1
312 1 37 ILE MG 1 46 LEU QD . . 5.440 3.306 2.895 3.458 . 0 0 "[ . 1 . 2]" 1
313 1 38 ASN H 1 38 ASN HB2 . . 3.230 2.120 2.085 2.175 . 0 0 "[ . 1 . 2]" 1
314 1 38 ASN H 1 38 ASN QB . . 2.570 2.090 2.059 2.131 . 0 0 "[ . 1 . 2]" 1
315 1 38 ASN H 1 38 ASN HB3 . . 3.230 3.185 3.025 3.238 0.008 10 0 "[ . 1 . 2]" 1
316 1 38 ASN HA 1 38 ASN QB . . 2.610 2.537 2.514 2.541 . 0 0 "[ . 1 . 2]" 1
317 1 38 ASN HA 1 39 PRO HD2 . . 3.810 1.990 1.943 2.038 . 0 0 "[ . 1 . 2]" 1
318 1 38 ASN HA 1 39 PRO HD3 . . 2.890 2.319 2.281 2.369 . 0 0 "[ . 1 . 2]" 1
319 1 38 ASN HA 1 39 PRO QG . . 3.800 3.785 3.769 3.804 0.004 11 0 "[ . 1 . 2]" 1
320 1 38 ASN HA 1 40 GLU H . . 4.910 3.517 3.449 3.580 . 0 0 "[ . 1 . 2]" 1
321 1 38 ASN HA 1 41 VAL H . . 5.500 5.341 5.123 5.406 . 0 0 "[ . 1 . 2]" 1
322 1 38 ASN QB 1 40 GLU H . . 5.340 2.750 2.545 3.163 . 0 0 "[ . 1 . 2]" 1
323 1 38 ASN QB 1 41 VAL H . . 4.840 3.627 3.424 3.680 . 0 0 "[ . 1 . 2]" 1
324 1 38 ASN QB 1 41 VAL QG . . 3.890 3.458 2.984 3.663 . 0 0 "[ . 1 . 2]" 1
325 1 38 ASN HB2 1 41 VAL QG . . 4.530 4.450 4.048 4.535 0.005 10 0 "[ . 1 . 2]" 1
326 1 38 ASN HB3 1 41 VAL QG . . 4.530 3.611 3.073 3.868 . 0 0 "[ . 1 . 2]" 1
327 1 39 PRO HA 1 41 VAL H . . 3.520 3.520 3.501 3.534 0.014 7 0 "[ . 1 . 2]" 1
328 1 39 PRO HA 1 41 VAL QG . . 4.040 3.543 3.335 3.706 . 0 0 "[ . 1 . 2]" 1
329 1 39 PRO HA 1 46 LEU QD . . 3.880 3.894 3.832 3.972 0.092 14 0 "[ . 1 . 2]" 1
330 1 39 PRO HB2 1 40 GLU H . . 3.940 3.813 3.719 3.829 . 0 0 "[ . 1 . 2]" 1
331 1 39 PRO HB3 1 41 VAL QG . . 5.500 5.389 5.235 5.527 0.027 17 0 "[ . 1 . 2]" 1
332 1 39 PRO HB3 1 46 LEU QD . . 5.440 5.270 5.179 5.442 0.002 14 0 "[ . 1 . 2]" 1
333 1 39 PRO HB3 1 73 GLY HA3 . . 4.750 3.728 3.348 4.046 . 0 0 "[ . 1 . 2]" 1
334 1 39 PRO HD2 1 40 GLU HB2 . . 4.960 4.478 4.267 4.688 . 0 0 "[ . 1 . 2]" 1
335 1 39 PRO HD3 1 40 GLU H . . 4.270 3.953 3.913 3.961 . 0 0 "[ . 1 . 2]" 1
336 1 39 PRO HD3 1 73 GLY HA3 . . 5.500 3.000 2.857 3.283 . 0 0 "[ . 1 . 2]" 1
337 1 39 PRO QG 1 40 GLU H . . 3.320 3.015 2.868 3.041 . 0 0 "[ . 1 . 2]" 1
338 1 39 PRO QG 1 70 ASP HA . . 4.740 2.057 1.944 2.606 . 0 0 "[ . 1 . 2]" 1
339 1 39 PRO QG 1 72 SER H . . 4.690 4.695 4.478 4.737 0.047 13 0 "[ . 1 . 2]" 1
340 1 39 PRO QG 1 73 GLY H . . 4.940 4.636 4.355 4.770 . 0 0 "[ . 1 . 2]" 1
341 1 40 GLU H 1 40 GLU HB2 . . 3.300 2.181 2.073 2.326 . 0 0 "[ . 1 . 2]" 1
342 1 40 GLU H 1 40 GLU HB3 . . 3.700 3.472 3.328 3.561 . 0 0 "[ . 1 . 2]" 1
343 1 40 GLU H 1 40 GLU HG2 . . 4.130 3.749 3.381 4.104 . 0 0 "[ . 1 . 2]" 1
344 1 40 GLU H 1 40 GLU QG . . 3.420 2.907 2.512 3.307 . 0 0 "[ . 1 . 2]" 1
345 1 40 GLU H 1 40 GLU HG3 . . 4.130 3.045 2.565 3.637 . 0 0 "[ . 1 . 2]" 1
346 1 40 GLU H 1 41 VAL H . . 2.850 2.760 2.728 2.770 . 0 0 "[ . 1 . 2]" 1
347 1 40 GLU H 1 41 VAL QG . . 4.110 3.838 3.827 3.863 . 0 0 "[ . 1 . 2]" 1
348 1 40 GLU HA 1 40 GLU HB3 . . 2.850 2.720 2.608 2.840 . 0 0 "[ . 1 . 2]" 1
349 1 40 GLU HA 1 40 GLU HG2 . . 3.290 2.210 2.020 2.567 . 0 0 "[ . 1 . 2]" 1
350 1 40 GLU HA 1 40 GLU QG . . 2.470 2.139 2.000 2.275 . 0 0 "[ . 1 . 2]" 1
351 1 40 GLU HA 1 40 GLU HG3 . . 3.290 2.989 2.541 3.236 . 0 0 "[ . 1 . 2]" 1
352 1 40 GLU HB2 1 40 GLU QG . . 2.540 2.237 2.140 2.402 . 0 0 "[ . 1 . 2]" 1
353 1 40 GLU HB3 1 41 VAL H . . 3.840 3.471 3.251 3.670 . 0 0 "[ . 1 . 2]" 1
354 1 40 GLU HB3 1 41 VAL HA . . 5.210 4.176 4.066 4.331 . 0 0 "[ . 1 . 2]" 1
355 1 41 VAL H 1 41 VAL HB . . 3.350 2.871 2.833 2.953 . 0 0 "[ . 1 . 2]" 1
356 1 41 VAL H 1 41 VAL QG . . 3.060 1.911 1.897 2.039 . 0 0 "[ . 1 . 2]" 1
357 1 41 VAL H 1 42 PRO HD2 . . 5.050 4.838 4.836 4.839 . 0 0 "[ . 1 . 2]" 1
358 1 41 VAL H 1 46 LEU QD . . 4.440 4.531 4.451 4.567 0.127 13 0 "[ . 1 . 2]" 1
359 1 41 VAL HA 1 41 VAL QG . . 2.400 2.346 2.339 2.374 . 0 0 "[ . 1 . 2]" 1
360 1 41 VAL HA 1 42 PRO HD2 . . 2.400 2.120 2.116 2.128 . 0 0 "[ . 1 . 2]" 1
361 1 41 VAL HA 1 42 PRO HD3 . . 3.780 2.257 2.255 2.258 . 0 0 "[ . 1 . 2]" 1
362 1 41 VAL HA 1 45 LYS QB . . 5.340 4.619 4.208 4.774 . 0 0 "[ . 1 . 2]" 1
363 1 41 VAL HB 1 42 PRO HD2 . . 4.100 3.618 3.555 3.636 . 0 0 "[ . 1 . 2]" 1
364 1 41 VAL HB 1 46 LEU HB2 . . 4.430 4.283 4.223 4.419 . 0 0 "[ . 1 . 2]" 1
365 1 41 VAL HB 1 46 LEU QD . . 5.440 4.756 4.477 4.855 . 0 0 "[ . 1 . 2]" 1
366 1 41 VAL QG 1 42 PRO HA . . 4.280 3.782 3.770 3.788 . 0 0 "[ . 1 . 2]" 1
367 1 41 VAL QG 1 42 PRO HD2 . . 2.400 1.887 1.874 1.893 . 0 0 "[ . 1 . 2]" 1
368 1 41 VAL QG 1 42 PRO HD3 . . 3.210 3.211 3.202 3.215 0.005 14 0 "[ . 1 . 2]" 1
369 1 41 VAL QG 1 44 GLU H . . 5.090 4.848 4.764 4.936 . 0 0 "[ . 1 . 2]" 1
370 1 41 VAL QG 1 45 LYS H . . 4.360 3.513 3.263 3.679 . 0 0 "[ . 1 . 2]" 1
371 1 41 VAL QG 1 45 LYS QB . . 2.390 2.298 1.964 2.463 0.073 15 0 "[ . 1 . 2]" 1
372 1 41 VAL QG 1 45 LYS QE . . 3.620 3.032 1.972 3.621 0.001 9 0 "[ . 1 . 2]" 1
373 1 41 VAL QG 1 45 LYS QG . . 5.080 3.744 3.116 4.110 . 0 0 "[ . 1 . 2]" 1
374 1 41 VAL QG 1 46 LEU H . . 3.230 2.291 2.108 2.378 . 0 0 "[ . 1 . 2]" 1
375 1 41 VAL QG 1 46 LEU HA . . 2.890 2.550 2.495 2.619 . 0 0 "[ . 1 . 2]" 1
376 1 41 VAL QG 1 46 LEU HB2 . . 2.750 1.851 1.829 1.878 . 0 0 "[ . 1 . 2]" 1
377 1 42 PRO HA 1 43 LYS H . . 3.510 2.197 2.179 2.237 . 0 0 "[ . 1 . 2]" 1
378 1 42 PRO HA 1 43 LYS HB3 . . 5.500 4.557 4.512 4.668 . 0 0 "[ . 1 . 2]" 1
379 1 42 PRO HA 1 44 GLU H . . 4.770 3.959 3.912 4.057 . 0 0 "[ . 1 . 2]" 1
380 1 42 PRO HA 1 46 LEU H . . 5.040 4.921 4.867 4.964 . 0 0 "[ . 1 . 2]" 1
381 1 42 PRO HB2 1 43 LYS H . . 4.120 3.254 3.088 3.341 . 0 0 "[ . 1 . 2]" 1
382 1 42 PRO HB2 1 44 GLU H . . 3.550 2.542 2.501 2.618 . 0 0 "[ . 1 . 2]" 1
383 1 42 PRO HB2 1 45 LYS H . . 3.480 3.238 3.049 3.292 . 0 0 "[ . 1 . 2]" 1
384 1 42 PRO HB3 1 43 LYS H . . 4.310 3.819 3.717 3.874 . 0 0 "[ . 1 . 2]" 1
385 1 42 PRO HB3 1 44 GLU H . . 5.050 4.159 4.146 4.192 . 0 0 "[ . 1 . 2]" 1
386 1 42 PRO HD2 1 45 LYS H . . 4.920 4.192 3.970 4.328 . 0 0 "[ . 1 . 2]" 1
387 1 42 PRO HD2 1 45 LYS QB . . 3.030 2.965 2.601 3.089 0.059 13 0 "[ . 1 . 2]" 1
388 1 42 PRO HD2 1 45 LYS QD . . 4.790 3.773 3.009 4.797 0.007 19 0 "[ . 1 . 2]" 1
389 1 42 PRO HG2 1 44 GLU H . . 4.330 3.974 3.816 4.144 . 0 0 "[ . 1 . 2]" 1
390 1 42 PRO HG2 1 45 LYS H . . 2.550 2.504 2.410 2.539 . 0 0 "[ . 1 . 2]" 1
391 1 42 PRO HG2 1 45 LYS HA . . 5.500 4.813 4.660 4.911 . 0 0 "[ . 1 . 2]" 1
392 1 42 PRO HG2 1 45 LYS QB . . 3.540 2.547 2.216 2.901 . 0 0 "[ . 1 . 2]" 1
393 1 42 PRO HG2 1 45 LYS QE . . 3.480 2.749 2.029 3.512 0.032 15 0 "[ . 1 . 2]" 1
394 1 43 LYS H 1 43 LYS HB2 . . 2.870 2.641 2.571 2.667 . 0 0 "[ . 1 . 2]" 1
395 1 43 LYS H 1 43 LYS HB3 . . 2.550 2.424 2.400 2.491 . 0 0 "[ . 1 . 2]" 1
396 1 43 LYS H 1 43 LYS QD . . 5.270 4.269 4.074 4.648 . 0 0 "[ . 1 . 2]" 1
397 1 43 LYS H 1 43 LYS QG . . 4.330 3.991 3.946 4.034 . 0 0 "[ . 1 . 2]" 1
398 1 43 LYS H 1 44 GLU H . . 3.750 2.827 2.807 2.840 . 0 0 "[ . 1 . 2]" 1
399 1 43 LYS H 1 45 LYS H . . 5.000 4.744 4.630 4.796 . 0 0 "[ . 1 . 2]" 1
400 1 43 LYS H 1 46 LEU H . . 5.020 4.716 4.704 4.737 . 0 0 "[ . 1 . 2]" 1
401 1 43 LYS HA 1 43 LYS HB2 . . 2.400 2.371 2.360 2.400 0.000 1 0 "[ . 1 . 2]" 1
402 1 43 LYS HA 1 43 LYS QG . . 2.680 2.559 2.494 2.611 . 0 0 "[ . 1 . 2]" 1
403 1 43 LYS HA 1 45 LYS H . . 4.790 4.540 4.473 4.573 . 0 0 "[ . 1 . 2]" 1
404 1 43 LYS HA 1 46 LEU H . . 4.510 3.530 3.509 3.562 . 0 0 "[ . 1 . 2]" 1
405 1 43 LYS HA 1 46 LEU HB2 . . 4.010 3.851 3.761 3.891 . 0 0 "[ . 1 . 2]" 1
406 1 43 LYS HA 1 46 LEU HB3 . . 2.520 2.232 2.115 2.295 . 0 0 "[ . 1 . 2]" 1
407 1 43 LYS HA 1 46 LEU MD1 . . 4.000 4.069 3.766 4.194 0.194 10 0 "[ . 1 . 2]" 1
408 1 43 LYS HA 1 46 LEU QD . . 3.160 2.078 1.959 2.165 . 0 0 "[ . 1 . 2]" 1
409 1 43 LYS HA 1 46 LEU MD2 . . 3.670 2.084 1.965 2.172 . 0 0 "[ . 1 . 2]" 1
410 1 43 LYS HA 1 46 LEU HG . . 5.270 3.280 2.734 4.535 . 0 0 "[ . 1 . 2]" 1
411 1 43 LYS HA 1 47 GLN H . . 2.980 2.886 2.813 2.951 . 0 0 "[ . 1 . 2]" 1
412 1 43 LYS HB2 1 43 LYS QD . . 3.440 2.769 2.051 3.232 . 0 0 "[ . 1 . 2]" 1
413 1 43 LYS HB2 1 44 GLU H . . 4.170 4.086 4.037 4.107 . 0 0 "[ . 1 . 2]" 1
414 1 43 LYS HB2 1 46 LEU MD1 . . 5.500 5.423 4.995 5.602 0.102 10 0 "[ . 1 . 2]" 1
415 1 43 LYS HB2 1 46 LEU QD . . 4.830 3.166 3.032 3.469 . 0 0 "[ . 1 . 2]" 1
416 1 43 LYS HB2 1 46 LEU MD2 . . 5.500 3.193 3.045 3.532 . 0 0 "[ . 1 . 2]" 1
417 1 43 LYS HB2 1 65 VAL QG . . 2.990 2.728 2.338 2.977 . 0 0 "[ . 1 . 2]" 1
418 1 43 LYS HB3 1 44 GLU H . . 3.040 2.833 2.781 2.858 . 0 0 "[ . 1 . 2]" 1
419 1 43 LYS HB3 1 44 GLU HA . . 5.500 4.423 4.351 4.451 . 0 0 "[ . 1 . 2]" 1
420 1 43 LYS HB3 1 65 VAL QG . . 4.510 4.075 3.667 4.327 . 0 0 "[ . 1 . 2]" 1
421 1 43 LYS QD 1 43 LYS QG . . 2.400 2.061 2.005 2.092 . 0 0 "[ . 1 . 2]" 1
422 1 43 LYS QD 1 65 VAL QG . . 4.220 3.411 2.495 4.221 0.001 6 0 "[ . 1 . 2]" 1
423 1 43 LYS QE 1 43 LYS QG . . 2.800 2.134 1.971 2.512 . 0 0 "[ . 1 . 2]" 1
424 1 43 LYS QE 1 65 VAL H . . 4.590 4.071 2.614 4.592 0.002 5 0 "[ . 1 . 2]" 1
425 1 43 LYS QE 1 65 VAL HB . . 5.180 3.216 1.946 3.795 . 0 0 "[ . 1 . 2]" 1
426 1 43 LYS QE 1 65 VAL QG . . 5.440 3.365 2.161 4.032 . 0 0 "[ . 1 . 2]" 1
427 1 43 LYS QG 1 44 GLU H . . 4.420 3.726 3.439 4.051 . 0 0 "[ . 1 . 2]" 1
428 1 43 LYS QG 1 44 GLU HA . . 4.250 3.775 3.355 4.253 0.003 14 0 "[ . 1 . 2]" 1
429 1 43 LYS QG 1 65 VAL QG . . 3.670 2.499 1.930 2.835 . 0 0 "[ . 1 . 2]" 1
430 1 44 GLU H 1 44 GLU QB . . 3.410 2.133 2.047 2.476 . 0 0 "[ . 1 . 2]" 1
431 1 44 GLU H 1 44 GLU QG . . 4.580 3.341 2.291 3.927 . 0 0 "[ . 1 . 2]" 1
432 1 44 GLU H 1 45 LYS H . . 3.810 2.939 2.873 2.971 . 0 0 "[ . 1 . 2]" 1
433 1 44 GLU H 1 46 LEU H . . 4.900 4.142 4.110 4.225 . 0 0 "[ . 1 . 2]" 1
434 1 44 GLU H 1 46 LEU QD . . 5.440 4.952 4.825 5.028 . 0 0 "[ . 1 . 2]" 1
435 1 44 GLU HA 1 44 GLU QB . . 2.530 2.496 2.386 2.532 0.002 14 0 "[ . 1 . 2]" 1
436 1 44 GLU HA 1 44 GLU QG . . 2.590 2.263 2.152 2.440 . 0 0 "[ . 1 . 2]" 1
437 1 44 GLU HA 1 47 GLN H . . 4.640 4.446 4.385 4.533 . 0 0 "[ . 1 . 2]" 1
438 1 44 GLU HA 1 47 GLN HB2 . . 5.500 4.715 4.480 4.832 . 0 0 "[ . 1 . 2]" 1
439 1 44 GLU HA 1 47 GLN HB3 . . 4.620 3.860 3.802 3.913 . 0 0 "[ . 1 . 2]" 1
440 1 44 GLU HA 1 48 ALA H . . 4.480 4.510 4.497 4.527 0.047 4 0 "[ . 1 . 2]" 1
441 1 44 GLU QB 1 45 LYS H . . 3.310 2.370 2.216 2.520 . 0 0 "[ . 1 . 2]" 1
442 1 44 GLU QB 1 45 LYS HA . . 5.340 3.874 3.810 4.116 . 0 0 "[ . 1 . 2]" 1
443 1 44 GLU HB2 1 45 LYS H . . 4.010 3.035 2.307 3.607 . 0 0 "[ . 1 . 2]" 1
444 1 44 GLU HB3 1 45 LYS H . . 4.010 2.597 2.239 3.311 . 0 0 "[ . 1 . 2]" 1
445 1 44 GLU QG 1 45 LYS H . . 4.970 4.120 3.595 4.319 . 0 0 "[ . 1 . 2]" 1
446 1 45 LYS H 1 45 LYS QB . . 2.980 2.328 2.112 2.566 . 0 0 "[ . 1 . 2]" 1
447 1 45 LYS H 1 45 LYS QD . . 4.200 3.538 1.936 4.280 0.080 15 0 "[ . 1 . 2]" 1
448 1 45 LYS H 1 45 LYS HG2 . . 4.910 3.883 2.541 4.497 . 0 0 "[ . 1 . 2]" 1
449 1 45 LYS H 1 45 LYS QG . . 4.190 2.967 2.235 4.042 . 0 0 "[ . 1 . 2]" 1
450 1 45 LYS H 1 45 LYS HG3 . . 4.910 3.154 2.270 4.670 . 0 0 "[ . 1 . 2]" 1
451 1 45 LYS H 1 46 LEU H . . 2.550 2.427 2.399 2.484 . 0 0 "[ . 1 . 2]" 1
452 1 45 LYS H 1 46 LEU HA . . 5.500 5.053 5.029 5.101 . 0 0 "[ . 1 . 2]" 1
453 1 45 LYS H 1 47 GLN H . . 4.580 4.211 4.140 4.344 . 0 0 "[ . 1 . 2]" 1
454 1 45 LYS H 1 48 ALA H . . 5.100 4.788 4.764 4.807 . 0 0 "[ . 1 . 2]" 1
455 1 45 LYS H 1 48 ALA MB . . 4.900 4.705 4.587 4.772 . 0 0 "[ . 1 . 2]" 1
456 1 45 LYS HA 1 45 LYS QB . . 2.530 2.406 2.305 2.521 . 0 0 "[ . 1 . 2]" 1
457 1 45 LYS HA 1 45 LYS QG . . 3.470 2.342 2.048 2.527 . 0 0 "[ . 1 . 2]" 1
458 1 45 LYS HA 1 46 LEU HA . . 5.500 4.859 4.853 4.862 . 0 0 "[ . 1 . 2]" 1
459 1 45 LYS HA 1 47 GLN H . . 5.500 4.596 4.458 4.855 . 0 0 "[ . 1 . 2]" 1
460 1 45 LYS HA 1 48 ALA H . . 4.560 3.510 3.448 3.625 . 0 0 "[ . 1 . 2]" 1
461 1 45 LYS HA 1 48 ALA MB . . 3.320 2.585 2.428 2.677 . 0 0 "[ . 1 . 2]" 1
462 1 45 LYS QB 1 46 LEU H . . 2.820 2.539 2.415 2.591 . 0 0 "[ . 1 . 2]" 1
463 1 45 LYS QD 1 45 LYS HE2 . . 2.550 2.339 2.142 2.529 . 0 0 "[ . 1 . 2]" 1
464 1 45 LYS QD 1 45 LYS QE . . 2.200 2.042 2.005 2.090 . 0 0 "[ . 1 . 2]" 1
465 1 45 LYS QD 1 45 LYS HE3 . . 2.550 2.314 2.139 2.527 . 0 0 "[ . 1 . 2]" 1
466 1 45 LYS QE 1 45 LYS QG . . 2.670 2.171 1.958 2.646 . 0 0 "[ . 1 . 2]" 1
467 1 45 LYS HG2 1 46 LEU H . . 5.300 4.881 4.150 5.187 . 0 0 "[ . 1 . 2]" 1
468 1 45 LYS HG3 1 46 LEU H . . 5.300 4.554 4.082 4.961 . 0 0 "[ . 1 . 2]" 1
469 1 46 LEU H 1 46 LEU HB2 . . 3.090 2.961 2.766 3.057 . 0 0 "[ . 1 . 2]" 1
470 1 46 LEU H 1 46 LEU HB3 . . 2.630 2.146 2.087 2.271 . 0 0 "[ . 1 . 2]" 1
471 1 46 LEU H 1 46 LEU QD . . 4.480 3.670 3.543 3.727 . 0 0 "[ . 1 . 2]" 1
472 1 46 LEU H 1 47 GLN H . . 4.240 2.909 2.865 2.991 . 0 0 "[ . 1 . 2]" 1
473 1 46 LEU H 1 48 ALA H . . 4.720 4.317 4.234 4.357 . 0 0 "[ . 1 . 2]" 1
474 1 46 LEU HA 1 46 LEU HB2 . . 2.400 2.253 2.228 2.307 . 0 0 "[ . 1 . 2]" 1
475 1 46 LEU HA 1 46 LEU MD1 . . 3.820 2.868 2.626 3.402 . 0 0 "[ . 1 . 2]" 1
476 1 46 LEU HA 1 46 LEU QD . . 3.040 2.775 2.593 3.167 0.127 14 0 "[ . 1 . 2]" 1
477 1 46 LEU HA 1 46 LEU MD2 . . 4.000 3.951 3.773 4.031 0.031 13 0 "[ . 1 . 2]" 1
478 1 46 LEU HA 1 48 ALA H . . 4.740 4.679 4.483 4.751 0.011 10 0 "[ . 1 . 2]" 1
479 1 46 LEU HA 1 49 LEU H . . 5.230 3.642 3.579 3.779 . 0 0 "[ . 1 . 2]" 1
480 1 46 LEU HA 1 49 LEU HB2 . . 3.760 2.895 2.764 3.111 . 0 0 "[ . 1 . 2]" 1
481 1 46 LEU HA 1 49 LEU HB3 . . 5.260 3.958 3.764 4.304 . 0 0 "[ . 1 . 2]" 1
482 1 46 LEU HA 1 49 LEU HG . . 5.330 4.491 4.299 4.822 . 0 0 "[ . 1 . 2]" 1
483 1 46 LEU HA 1 97 PHE HZ . . 5.500 4.552 4.285 4.926 . 0 0 "[ . 1 . 2]" 1
484 1 46 LEU HB2 1 46 LEU QD . . 2.710 2.029 1.948 2.087 . 0 0 "[ . 1 . 2]" 1
485 1 46 LEU HB2 1 47 GLN H . . 4.030 3.949 3.811 4.022 . 0 0 "[ . 1 . 2]" 1
486 1 46 LEU HB3 1 46 LEU MD1 . . 3.150 3.067 2.782 3.182 0.032 10 0 "[ . 1 . 2]" 1
487 1 46 LEU HB3 1 46 LEU MD2 . . 3.150 2.226 1.933 2.355 . 0 0 "[ . 1 . 2]" 1
488 1 46 LEU HB3 1 47 GLN H . . 2.970 2.714 2.407 2.876 . 0 0 "[ . 1 . 2]" 1
489 1 46 LEU QD 1 47 GLN H . . 3.200 2.933 2.133 3.276 0.076 15 0 "[ . 1 . 2]" 1
490 1 46 LEU QD 1 47 GLN HA . . 3.420 2.851 2.490 3.014 . 0 0 "[ . 1 . 2]" 1
491 1 46 LEU QD 1 48 ALA H . . 5.210 4.729 4.419 4.863 . 0 0 "[ . 1 . 2]" 1
492 1 46 LEU QD 1 50 LEU H . . 4.170 3.688 3.426 4.236 0.066 14 0 "[ . 1 . 2]" 1
493 1 46 LEU QD 1 50 LEU MD1 . . 3.380 1.927 1.845 2.155 . 0 0 "[ . 1 . 2]" 1
494 1 46 LEU QD 1 50 LEU MD2 . . 4.990 2.898 2.758 3.087 . 0 0 "[ . 1 . 2]" 1
495 1 46 LEU QD 1 50 LEU HG . . 2.600 2.194 1.957 2.746 0.146 14 0 "[ . 1 . 2]" 1
496 1 46 LEU QD 1 65 VAL HB . . 5.440 3.646 3.435 3.913 . 0 0 "[ . 1 . 2]" 1
497 1 46 LEU HG 1 47 GLN H . . 3.310 2.746 2.419 3.459 0.149 14 0 "[ . 1 . 2]" 1
498 1 46 LEU HG 1 47 GLN HA . . 5.270 3.137 2.934 3.594 . 0 0 "[ . 1 . 2]" 1
499 1 46 LEU HG 1 47 GLN HB2 . . 4.800 3.783 3.279 4.918 0.118 14 0 "[ . 1 . 2]" 1
500 1 46 LEU HG 1 50 LEU MD1 . . 4.300 3.133 2.633 3.389 . 0 0 "[ . 1 . 2]" 1
501 1 46 LEU HG 1 65 VAL QG . . 3.800 2.853 2.419 3.747 . 0 0 "[ . 1 . 2]" 1
502 1 47 GLN H 1 47 GLN HA . . 2.920 2.795 2.750 2.818 . 0 0 "[ . 1 . 2]" 1
503 1 47 GLN H 1 47 GLN HB2 . . 3.400 2.453 2.289 2.561 . 0 0 "[ . 1 . 2]" 1
504 1 47 GLN H 1 47 GLN HB3 . . 3.130 2.605 2.489 2.794 . 0 0 "[ . 1 . 2]" 1
505 1 47 GLN H 1 47 GLN QG . . 4.450 3.951 3.880 3.985 . 0 0 "[ . 1 . 2]" 1
506 1 47 GLN H 1 48 ALA H . . 3.680 2.776 2.718 2.882 . 0 0 "[ . 1 . 2]" 1
507 1 47 GLN H 1 50 LEU MD1 . . 5.390 4.611 4.421 4.776 . 0 0 "[ . 1 . 2]" 1
508 1 47 GLN H 1 63 ILE MG . . 5.500 5.387 5.096 5.513 0.013 15 0 "[ . 1 . 2]" 1
509 1 47 GLN H 1 65 VAL QG . . 5.440 3.558 3.256 3.729 . 0 0 "[ . 1 . 2]" 1
510 1 47 GLN HA 1 47 GLN QG . . 3.140 2.449 2.353 2.505 . 0 0 "[ . 1 . 2]" 1
511 1 47 GLN HA 1 50 LEU H . . 5.000 3.425 3.304 3.616 . 0 0 "[ . 1 . 2]" 1
512 1 47 GLN HA 1 50 LEU HB2 . . 3.520 2.813 2.597 2.972 . 0 0 "[ . 1 . 2]" 1
513 1 47 GLN HA 1 50 LEU HB3 . . 5.430 4.414 4.128 4.608 . 0 0 "[ . 1 . 2]" 1
514 1 47 GLN HA 1 50 LEU MD1 . . 3.630 2.746 2.571 2.897 . 0 0 "[ . 1 . 2]" 1
515 1 47 GLN HA 1 50 LEU HG . . 3.460 3.179 2.483 3.482 0.022 10 0 "[ . 1 . 2]" 1
516 1 47 GLN HA 1 63 ILE MG . . 4.500 3.114 2.929 3.283 . 0 0 "[ . 1 . 2]" 1
517 1 47 GLN HA 1 65 VAL QG . . 4.350 2.816 2.618 3.114 . 0 0 "[ . 1 . 2]" 1
518 1 47 GLN HB2 1 48 ALA H . . 4.040 3.750 3.668 3.804 . 0 0 "[ . 1 . 2]" 1
519 1 47 GLN HB2 1 65 VAL QG . . 2.500 2.479 2.354 2.512 0.012 8 0 "[ . 1 . 2]" 1
520 1 47 GLN HB3 1 48 ALA H . . 3.400 2.436 2.404 2.501 . 0 0 "[ . 1 . 2]" 1
521 1 47 GLN HB3 1 48 ALA MB . . 4.440 3.888 3.829 3.947 . 0 0 "[ . 1 . 2]" 1
522 1 47 GLN HB3 1 65 VAL QG . . 5.070 3.877 3.749 3.945 . 0 0 "[ . 1 . 2]" 1
523 1 47 GLN QG 1 48 ALA H . . 5.350 3.772 3.641 3.993 . 0 0 "[ . 1 . 2]" 1
524 1 47 GLN QG 1 63 ILE HB . . 3.200 2.683 2.374 2.875 . 0 0 "[ . 1 . 2]" 1
525 1 47 GLN QG 1 63 ILE MD . . 3.140 2.928 2.554 3.145 0.005 4 0 "[ . 1 . 2]" 1
526 1 47 GLN QG 1 63 ILE MG . . 3.640 2.400 2.086 2.727 . 0 0 "[ . 1 . 2]" 1
527 1 47 GLN QG 1 65 VAL QG . . 2.460 2.445 2.333 2.466 0.006 2 0 "[ . 1 . 2]" 1
528 1 48 ALA H 1 48 ALA HA . . 2.910 2.774 2.754 2.789 . 0 0 "[ . 1 . 2]" 1
529 1 48 ALA H 1 48 ALA MB . . 3.180 2.158 2.038 2.233 . 0 0 "[ . 1 . 2]" 1
530 1 48 ALA H 1 49 LEU H . . 3.340 2.754 2.695 2.831 . 0 0 "[ . 1 . 2]" 1
531 1 48 ALA H 1 50 LEU H . . 5.190 4.427 4.326 4.495 . 0 0 "[ . 1 . 2]" 1
532 1 48 ALA H 1 51 TYR QB . . 5.270 4.979 4.913 5.099 . 0 0 "[ . 1 . 2]" 1
533 1 48 ALA H 1 65 VAL QG . . 5.440 5.161 5.091 5.223 . 0 0 "[ . 1 . 2]" 1
534 1 48 ALA HA 1 51 TYR QB . . 3.850 2.994 2.903 3.154 . 0 0 "[ . 1 . 2]" 1
535 1 48 ALA HA 1 51 TYR QD . . 4.890 4.744 4.614 4.907 0.017 1 0 "[ . 1 . 2]" 1
536 1 48 ALA MB 1 49 LEU H . . 2.800 2.685 2.404 2.783 . 0 0 "[ . 1 . 2]" 1
537 1 48 ALA MB 1 50 LEU H . . 5.230 4.741 4.599 4.822 . 0 0 "[ . 1 . 2]" 1
538 1 48 ALA MB 1 51 TYR QB . . 4.390 4.125 4.010 4.415 0.025 7 0 "[ . 1 . 2]" 1
539 1 49 LEU H 1 49 LEU HB2 . . 2.450 2.063 2.046 2.071 . 0 0 "[ . 1 . 2]" 1
540 1 49 LEU H 1 49 LEU MD1 . . 5.000 4.141 4.104 4.212 . 0 0 "[ . 1 . 2]" 1
541 1 49 LEU H 1 49 LEU MD2 . . 2.840 2.851 2.794 2.988 0.148 14 0 "[ . 1 . 2]" 1
542 1 49 LEU H 1 49 LEU HG . . 4.410 4.407 4.319 4.424 0.014 14 0 "[ . 1 . 2]" 1
543 1 49 LEU H 1 50 LEU HB2 . . 5.420 4.697 4.601 4.823 . 0 0 "[ . 1 . 2]" 1
544 1 49 LEU H 1 52 ALA H . . 5.080 4.821 4.526 4.938 . 0 0 "[ . 1 . 2]" 1
545 1 49 LEU HA 1 49 LEU HB2 . . 2.990 2.843 2.787 2.889 . 0 0 "[ . 1 . 2]" 1
546 1 49 LEU HA 1 49 LEU HB3 . . 2.850 2.839 2.788 2.890 0.040 10 0 "[ . 1 . 2]" 1
547 1 49 LEU HA 1 49 LEU MD1 . . 2.400 2.144 1.961 2.298 . 0 0 "[ . 1 . 2]" 1
548 1 49 LEU HA 1 49 LEU MD2 . . 2.550 2.454 2.321 2.488 . 0 0 "[ . 1 . 2]" 1
549 1 49 LEU HA 1 49 LEU HG . . 3.690 3.627 3.624 3.638 . 0 0 "[ . 1 . 2]" 1
550 1 49 LEU HA 1 52 ALA H . . 4.560 3.341 3.242 3.385 . 0 0 "[ . 1 . 2]" 1
551 1 49 LEU HA 1 52 ALA HA . . 5.500 5.351 5.035 5.454 . 0 0 "[ . 1 . 2]" 1
552 1 49 LEU HA 1 52 ALA MB . . 2.700 2.586 2.138 2.706 0.006 6 0 "[ . 1 . 2]" 1
553 1 49 LEU HA 1 53 LEU H . . 4.830 4.299 3.878 4.519 . 0 0 "[ . 1 . 2]" 1
554 1 49 LEU HB2 1 52 ALA MB . . 5.270 5.081 4.676 5.192 . 0 0 "[ . 1 . 2]" 1
555 1 49 LEU HB2 1 97 PHE QE . . 4.420 4.354 3.989 4.436 0.016 14 0 "[ . 1 . 2]" 1
556 1 49 LEU HB2 1 97 PHE HZ . . 4.460 3.516 3.305 4.109 . 0 0 "[ . 1 . 2]" 1
557 1 49 LEU HB3 1 49 LEU MD1 . . 2.790 2.362 2.314 2.390 . 0 0 "[ . 1 . 2]" 1
558 1 49 LEU HB3 1 50 LEU H . . 3.160 2.722 2.602 2.877 . 0 0 "[ . 1 . 2]" 1
559 1 49 LEU HB3 1 97 PHE QE . . 4.770 3.117 2.529 3.344 . 0 0 "[ . 1 . 2]" 1
560 1 49 LEU HB3 1 97 PHE HZ . . 4.010 2.100 1.995 2.662 . 0 0 "[ . 1 . 2]" 1
561 1 49 LEU MD1 1 50 LEU MD2 . . 5.380 4.524 4.145 4.792 . 0 0 "[ . 1 . 2]" 1
562 1 49 LEU MD1 1 52 ALA H . . 5.070 4.292 4.199 4.393 . 0 0 "[ . 1 . 2]" 1
563 1 49 LEU MD1 1 52 ALA MB . . 4.890 2.831 2.655 2.939 . 0 0 "[ . 1 . 2]" 1
564 1 49 LEU MD1 1 53 LEU H . . 4.960 3.789 3.293 3.925 . 0 0 "[ . 1 . 2]" 1
565 1 49 LEU MD1 1 53 LEU HA . . 5.500 5.296 4.618 5.510 0.010 20 0 "[ . 1 . 2]" 1
566 1 49 LEU MD1 1 53 LEU HG . . 3.540 2.982 2.591 3.675 0.135 14 0 "[ . 1 . 2]" 1
567 1 49 LEU MD1 1 97 PHE QD . . 5.500 4.057 3.766 4.383 . 0 0 "[ . 1 . 2]" 1
568 1 49 LEU MD1 1 97 PHE QE . . 2.700 2.385 2.122 2.693 . 0 0 "[ . 1 . 2]" 1
569 1 49 LEU MD2 1 97 PHE QE . . 4.780 4.249 4.168 4.316 . 0 0 "[ . 1 . 2]" 1
570 1 49 LEU HG 1 97 PHE QE . . 2.850 2.850 2.776 2.858 0.008 19 0 "[ . 1 . 2]" 1
571 1 49 LEU HG 1 98 GLN QG . . 5.340 4.692 4.086 5.341 0.001 10 0 "[ . 1 . 2]" 1
572 1 50 LEU H 1 50 LEU HA . . 2.850 2.773 2.764 2.774 . 0 0 "[ . 1 . 2]" 1
573 1 50 LEU H 1 50 LEU HB2 . . 2.670 2.500 2.403 2.646 . 0 0 "[ . 1 . 2]" 1
574 1 50 LEU H 1 50 LEU MD1 . . 4.160 3.685 3.589 3.797 . 0 0 "[ . 1 . 2]" 1
575 1 50 LEU H 1 50 LEU MD2 . . 4.460 3.089 2.516 3.379 . 0 0 "[ . 1 . 2]" 1
576 1 50 LEU H 1 50 LEU HG . . 3.010 2.278 2.158 2.412 . 0 0 "[ . 1 . 2]" 1
577 1 50 LEU H 1 51 TYR H . . 4.470 2.735 2.719 2.798 . 0 0 "[ . 1 . 2]" 1
578 1 50 LEU H 1 51 TYR QB . . 4.630 4.505 4.481 4.589 . 0 0 "[ . 1 . 2]" 1
579 1 50 LEU H 1 52 ALA H . . 4.480 4.400 4.045 4.484 0.004 11 0 "[ . 1 . 2]" 1
580 1 50 LEU H 1 52 ALA MB . . 5.450 4.919 4.517 5.004 . 0 0 "[ . 1 . 2]" 1
581 1 50 LEU H 1 53 LEU H . . 5.500 5.192 4.949 5.303 . 0 0 "[ . 1 . 2]" 1
582 1 50 LEU H 1 53 LEU QD . . 4.680 4.426 3.292 4.678 . 0 0 "[ . 1 . 2]" 1
583 1 50 LEU H 1 63 ILE MG . . 5.500 4.587 4.454 4.832 . 0 0 "[ . 1 . 2]" 1
584 1 50 LEU H 1 97 PHE HZ . . 4.770 3.865 3.483 4.093 . 0 0 "[ . 1 . 2]" 1
585 1 50 LEU HA 1 50 LEU HB3 . . 2.560 2.482 2.408 2.536 . 0 0 "[ . 1 . 2]" 1
586 1 50 LEU HA 1 50 LEU MD1 . . 4.800 3.817 3.719 3.870 . 0 0 "[ . 1 . 2]" 1
587 1 50 LEU HA 1 50 LEU MD2 . . 3.590 2.046 1.943 2.154 . 0 0 "[ . 1 . 2]" 1
588 1 50 LEU HA 1 51 TYR HA . . 5.170 4.741 4.722 4.746 . 0 0 "[ . 1 . 2]" 1
589 1 50 LEU HA 1 53 LEU H . . 3.910 3.899 3.872 3.922 0.012 10 0 "[ . 1 . 2]" 1
590 1 50 LEU HA 1 53 LEU QB . . 4.290 3.547 3.351 4.327 0.037 14 0 "[ . 1 . 2]" 1
591 1 50 LEU HA 1 53 LEU QD . . 2.950 2.788 1.912 2.954 0.004 1 0 "[ . 1 . 2]" 1
592 1 50 LEU HA 1 53 LEU HG . . 3.900 3.685 2.428 3.920 0.020 7 0 "[ . 1 . 2]" 1
593 1 50 LEU HA 1 54 ALA H . . 4.230 4.142 4.030 4.238 0.008 20 0 "[ . 1 . 2]" 1
594 1 50 LEU HA 1 63 ILE MD . . 4.880 4.432 4.077 4.527 . 0 0 "[ . 1 . 2]" 1
595 1 50 LEU HA 1 97 PHE HZ . . 5.250 3.850 3.520 4.183 . 0 0 "[ . 1 . 2]" 1
596 1 50 LEU HB2 1 51 TYR H . . 4.390 2.835 2.518 2.939 . 0 0 "[ . 1 . 2]" 1
597 1 50 LEU HB2 1 63 ILE MD . . 5.240 2.877 2.505 3.048 . 0 0 "[ . 1 . 2]" 1
598 1 50 LEU HB2 1 63 ILE MG . . 4.330 2.529 2.354 2.733 . 0 0 "[ . 1 . 2]" 1
599 1 50 LEU HB2 1 77 ILE MD . . 4.810 3.514 3.330 3.697 . 0 0 "[ . 1 . 2]" 1
600 1 50 LEU HB3 1 50 LEU MD1 . . 2.920 2.377 2.257 2.441 . 0 0 "[ . 1 . 2]" 1
601 1 50 LEU HB3 1 50 LEU MD2 . . 2.640 2.389 2.303 2.525 . 0 0 "[ . 1 . 2]" 1
602 1 50 LEU HB3 1 51 TYR H . . 4.640 3.798 3.610 3.886 . 0 0 "[ . 1 . 2]" 1
603 1 50 LEU HB3 1 51 TYR HA . . 5.500 4.446 4.296 4.593 . 0 0 "[ . 1 . 2]" 1
604 1 50 LEU HB3 1 63 ILE MD . . 3.260 3.116 2.719 3.263 0.003 1 0 "[ . 1 . 2]" 1
605 1 50 LEU HB3 1 63 ILE MG . . 5.500 2.999 2.740 3.173 . 0 0 "[ . 1 . 2]" 1
606 1 50 LEU HB3 1 77 ILE MD . . 2.780 2.021 1.943 2.091 . 0 0 "[ . 1 . 2]" 1
607 1 50 LEU HB3 1 77 ILE HG12 . . 3.460 2.870 2.800 2.982 . 0 0 "[ . 1 . 2]" 1
608 1 50 LEU HB3 1 88 PHE QE . . 5.500 5.506 5.259 5.528 0.028 1 0 "[ . 1 . 2]" 1
609 1 50 LEU MD1 1 51 TYR QB . . 5.500 5.489 5.329 5.529 0.029 2 0 "[ . 1 . 2]" 1
610 1 50 LEU MD1 1 63 ILE MG . . 3.770 2.583 2.189 2.738 . 0 0 "[ . 1 . 2]" 1
611 1 50 LEU MD1 1 75 ALA MB . . 2.990 2.425 2.327 2.527 . 0 0 "[ . 1 . 2]" 1
612 1 50 LEU MD1 1 77 ILE HG12 . . 3.620 2.980 2.929 3.064 . 0 0 "[ . 1 . 2]" 1
613 1 50 LEU MD2 1 63 ILE MG . . 5.500 4.284 4.062 4.423 . 0 0 "[ . 1 . 2]" 1
614 1 50 LEU MD2 1 97 PHE QE . . 4.800 2.012 1.887 2.561 . 0 0 "[ . 1 . 2]" 1
615 1 50 LEU MD2 1 97 PHE HZ . . 4.870 2.655 2.157 3.324 . 0 0 "[ . 1 . 2]" 1
616 1 50 LEU HG 1 97 PHE QE . . 4.780 3.906 3.392 4.779 . 0 0 "[ . 1 . 2]" 1
617 1 51 TYR H 1 51 TYR QB . . 3.220 2.258 2.247 2.271 . 0 0 "[ . 1 . 2]" 1
618 1 51 TYR H 1 51 TYR QD . . 4.660 4.199 4.189 4.210 . 0 0 "[ . 1 . 2]" 1
619 1 51 TYR H 1 52 ALA H . . 3.070 2.571 2.496 2.598 . 0 0 "[ . 1 . 2]" 1
620 1 51 TYR H 1 52 ALA MB . . 5.500 4.102 4.080 4.190 . 0 0 "[ . 1 . 2]" 1
621 1 51 TYR H 1 63 ILE MD . . 4.430 2.909 2.687 2.978 . 0 0 "[ . 1 . 2]" 1
622 1 51 TYR HA 1 51 TYR QD . . 3.360 3.100 2.966 3.122 . 0 0 "[ . 1 . 2]" 1
623 1 51 TYR HA 1 51 TYR QE . . 5.500 4.656 4.612 4.749 . 0 0 "[ . 1 . 2]" 1
624 1 51 TYR HA 1 53 LEU H . . 4.670 4.659 4.557 4.703 0.033 14 0 "[ . 1 . 2]" 1
625 1 51 TYR HA 1 54 ALA MB . . 2.590 2.316 2.151 2.529 . 0 0 "[ . 1 . 2]" 1
626 1 51 TYR HA 1 55 SER H . . 5.310 3.722 3.559 3.817 . 0 0 "[ . 1 . 2]" 1
627 1 51 TYR HA 1 55 SER QB . . 5.290 4.570 4.171 4.814 . 0 0 "[ . 1 . 2]" 1
628 1 51 TYR HA 1 60 ILE MD . . 4.510 2.868 2.731 2.985 . 0 0 "[ . 1 . 2]" 1
629 1 51 TYR HA 1 60 ILE MG . . 5.500 3.892 3.648 3.956 . 0 0 "[ . 1 . 2]" 1
630 1 51 TYR HA 1 63 ILE MD . . 2.440 1.926 1.899 2.012 . 0 0 "[ . 1 . 2]" 1
631 1 51 TYR QB 1 52 ALA H . . 3.510 2.457 2.381 2.710 . 0 0 "[ . 1 . 2]" 1
632 1 51 TYR QB 1 52 ALA MB . . 4.640 3.853 3.796 4.026 . 0 0 "[ . 1 . 2]" 1
633 1 51 TYR QB 1 54 ALA MB . . 5.500 4.137 4.023 4.372 . 0 0 "[ . 1 . 2]" 1
634 1 51 TYR QB 1 60 ILE MG . . 5.500 4.348 3.818 4.479 . 0 0 "[ . 1 . 2]" 1
635 1 51 TYR QB 1 63 ILE HB . . 5.500 4.238 3.892 4.319 . 0 0 "[ . 1 . 2]" 1
636 1 51 TYR QB 1 63 ILE MD . . 2.980 1.894 1.864 1.907 . 0 0 "[ . 1 . 2]" 1
637 1 51 TYR QB 1 63 ILE MG . . 4.770 3.866 3.792 4.071 . 0 0 "[ . 1 . 2]" 1
638 1 51 TYR QD 1 52 ALA H . . 4.270 3.517 3.260 3.686 . 0 0 "[ . 1 . 2]" 1
639 1 51 TYR QD 1 52 ALA HA . . 3.780 3.043 2.820 3.191 . 0 0 "[ . 1 . 2]" 1
640 1 51 TYR QD 1 52 ALA MB . . 5.500 4.162 3.663 4.337 . 0 0 "[ . 1 . 2]" 1
641 1 51 TYR QD 1 55 SER QB . . 4.680 2.915 2.589 3.639 . 0 0 "[ . 1 . 2]" 1
642 1 51 TYR QD 1 60 ILE HB . . 5.320 3.768 2.618 4.035 . 0 0 "[ . 1 . 2]" 1
643 1 51 TYR QD 1 60 ILE MD . . 4.730 3.092 2.857 3.420 . 0 0 "[ . 1 . 2]" 1
644 1 51 TYR QD 1 60 ILE MG . . 3.830 3.122 2.389 3.352 . 0 0 "[ . 1 . 2]" 1
645 1 51 TYR QD 1 63 ILE MD . . 4.040 1.962 1.910 2.230 . 0 0 "[ . 1 . 2]" 1
646 1 51 TYR QD 1 63 ILE HG13 . . 3.900 2.869 2.533 2.947 . 0 0 "[ . 1 . 2]" 1
647 1 51 TYR QD 1 63 ILE MG . . 5.500 4.358 4.227 4.963 . 0 0 "[ . 1 . 2]" 1
648 1 51 TYR QE 1 60 ILE HB . . 3.630 2.877 2.058 3.133 . 0 0 "[ . 1 . 2]" 1
649 1 51 TYR QE 1 60 ILE MD . . 5.020 2.937 2.604 3.282 . 0 0 "[ . 1 . 2]" 1
650 1 51 TYR QE 1 60 ILE MG . . 3.520 2.988 2.621 3.202 . 0 0 "[ . 1 . 2]" 1
651 1 51 TYR QE 1 63 ILE MD . . 5.250 3.652 3.552 4.270 . 0 0 "[ . 1 . 2]" 1
652 1 52 ALA H 1 52 ALA HA . . 2.920 2.763 2.755 2.800 . 0 0 "[ . 1 . 2]" 1
653 1 52 ALA H 1 52 ALA MB . . 3.070 2.058 2.025 2.226 . 0 0 "[ . 1 . 2]" 1
654 1 52 ALA H 1 53 LEU H . . 2.990 2.920 2.810 2.950 . 0 0 "[ . 1 . 2]" 1
655 1 52 ALA H 1 53 LEU HG . . 5.070 4.379 3.909 4.495 . 0 0 "[ . 1 . 2]" 1
656 1 52 ALA H 1 54 ALA MB . . 5.500 4.626 4.461 4.798 . 0 0 "[ . 1 . 2]" 1
657 1 52 ALA H 1 55 SER H . . 4.830 4.799 4.620 4.834 0.004 1 0 "[ . 1 . 2]" 1
658 1 52 ALA H 1 63 ILE MD . . 4.580 4.423 4.321 4.465 . 0 0 "[ . 1 . 2]" 1
659 1 52 ALA HA 1 53 LEU QD . . 5.440 5.066 4.881 5.297 . 0 0 "[ . 1 . 2]" 1
660 1 52 ALA HA 1 55 SER H . . 5.260 3.889 3.784 4.014 . 0 0 "[ . 1 . 2]" 1
661 1 52 ALA MB 1 53 LEU H . . 2.880 2.456 2.349 2.520 . 0 0 "[ . 1 . 2]" 1
662 1 52 ALA MB 1 53 LEU QD . . 3.950 3.148 2.881 3.697 . 0 0 "[ . 1 . 2]" 1
663 1 52 ALA MB 1 63 ILE MD . . 5.500 5.491 5.433 5.521 0.021 12 0 "[ . 1 . 2]" 1
664 1 53 LEU H 1 53 LEU QB . . 3.100 2.588 2.557 2.661 . 0 0 "[ . 1 . 2]" 1
665 1 53 LEU H 1 53 LEU MD1 . . 4.480 3.466 3.334 3.558 . 0 0 "[ . 1 . 2]" 1
666 1 53 LEU H 1 53 LEU QD . . 3.340 2.901 2.738 2.964 . 0 0 "[ . 1 . 2]" 1
667 1 53 LEU H 1 53 LEU MD2 . . 4.480 3.122 2.846 3.308 . 0 0 "[ . 1 . 2]" 1
668 1 53 LEU H 1 53 LEU HG . . 2.470 1.972 1.918 2.017 . 0 0 "[ . 1 . 2]" 1
669 1 53 LEU H 1 54 ALA H . . 3.750 2.651 2.538 2.763 . 0 0 "[ . 1 . 2]" 1
670 1 53 LEU H 1 54 ALA MB . . 5.300 4.301 4.217 4.350 . 0 0 "[ . 1 . 2]" 1
671 1 53 LEU H 1 55 SER H . . 4.910 4.435 4.060 4.492 . 0 0 "[ . 1 . 2]" 1
672 1 53 LEU HA 1 53 LEU QB . . 2.310 2.285 2.161 2.311 0.001 18 0 "[ . 1 . 2]" 1
673 1 53 LEU HA 1 53 LEU MD1 . . 4.080 3.923 3.810 3.969 . 0 0 "[ . 1 . 2]" 1
674 1 53 LEU HA 1 53 LEU QD . . 3.360 2.324 2.017 3.430 0.070 14 0 "[ . 1 . 2]" 1
675 1 53 LEU HA 1 53 LEU MD2 . . 4.080 2.380 2.023 3.889 . 0 0 "[ . 1 . 2]" 1
676 1 53 LEU HA 1 53 LEU HG . . 4.210 3.240 3.126 3.615 . 0 0 "[ . 1 . 2]" 1
677 1 53 LEU HA 1 56 SER H . . 3.610 3.510 3.461 3.638 0.028 7 0 "[ . 1 . 2]" 1
678 1 53 LEU HA 1 92 PHE QE . . 4.980 4.093 3.775 4.755 . 0 0 "[ . 1 . 2]" 1
679 1 53 LEU QB 1 53 LEU QD . . 2.360 1.892 1.712 1.944 . 0 0 "[ . 1 . 2]" 1
680 1 53 LEU QB 1 54 ALA H . . 3.730 2.620 2.197 3.502 . 0 0 "[ . 1 . 2]" 1
681 1 53 LEU QB 1 88 PHE QE . . 3.660 2.140 1.976 3.356 . 0 0 "[ . 1 . 2]" 1
682 1 53 LEU HB2 1 54 ALA H . . 4.290 2.684 2.219 3.780 . 0 0 "[ . 1 . 2]" 1
683 1 53 LEU HB3 1 54 ALA H . . 4.290 3.809 3.515 4.136 . 0 0 "[ . 1 . 2]" 1
684 1 53 LEU QD 1 54 ALA H . . 5.440 3.861 2.771 4.062 . 0 0 "[ . 1 . 2]" 1
685 1 53 LEU QD 1 54 ALA HA . . 5.440 4.921 3.101 5.161 . 0 0 "[ . 1 . 2]" 1
686 1 53 LEU QD 1 88 PHE QE . . 3.510 3.178 1.865 3.370 . 0 0 "[ . 1 . 2]" 1
687 1 53 LEU QD 1 92 PHE QD . . 3.580 3.064 2.784 3.549 . 0 0 "[ . 1 . 2]" 1
688 1 53 LEU QD 1 92 PHE HZ . . 3.800 2.827 2.274 3.142 . 0 0 "[ . 1 . 2]" 1
689 1 53 LEU QD 1 95 TYR QD . . 4.670 4.145 3.827 4.699 0.029 10 0 "[ . 1 . 2]" 1
690 1 53 LEU QD 1 97 PHE QD . . 3.560 2.799 2.092 3.327 . 0 0 "[ . 1 . 2]" 1
691 1 53 LEU QD 1 97 PHE QE . . 3.600 2.652 2.198 3.002 . 0 0 "[ . 1 . 2]" 1
692 1 53 LEU QD 1 97 PHE HZ . . 4.050 3.065 2.473 3.388 . 0 0 "[ . 1 . 2]" 1
693 1 53 LEU QD 1 102 LEU QD . . 5.380 3.256 3.022 3.778 . 0 0 "[ . 1 . 2]" 1
694 1 53 LEU MD1 1 92 PHE QE . . 3.270 2.759 2.256 3.098 . 0 0 "[ . 1 . 2]" 1
695 1 53 LEU MD1 1 95 TYR QD . . 5.500 4.492 4.108 5.360 . 0 0 "[ . 1 . 2]" 1
696 1 53 LEU MD1 1 97 PHE HZ . . 5.500 3.265 2.814 4.422 . 0 0 "[ . 1 . 2]" 1
697 1 53 LEU MD2 1 92 PHE QE . . 3.270 2.303 1.912 3.282 0.012 14 0 "[ . 1 . 2]" 1
698 1 53 LEU MD2 1 95 TYR QD . . 5.500 4.884 4.551 5.505 0.005 7 0 "[ . 1 . 2]" 1
699 1 53 LEU MD2 1 97 PHE HZ . . 5.500 4.905 2.486 5.508 0.008 1 0 "[ . 1 . 2]" 1
700 1 54 ALA H 1 54 ALA HA . . 2.850 2.795 2.762 2.837 . 0 0 "[ . 1 . 2]" 1
701 1 54 ALA H 1 54 ALA MB . . 2.420 2.227 2.164 2.235 . 0 0 "[ . 1 . 2]" 1
702 1 54 ALA H 1 55 SER H . . 4.000 2.829 2.692 2.902 . 0 0 "[ . 1 . 2]" 1
703 1 54 ALA H 1 56 SER H . . 4.500 3.971 3.905 4.165 . 0 0 "[ . 1 . 2]" 1
704 1 54 ALA H 1 88 PHE QE . . 4.970 3.289 2.543 3.620 . 0 0 "[ . 1 . 2]" 1
705 1 54 ALA HA 1 56 SER H . . 4.220 4.115 3.839 4.223 0.003 18 0 "[ . 1 . 2]" 1
706 1 54 ALA HA 1 57 GLN QG . . 4.190 4.151 3.968 4.293 0.103 7 0 "[ . 1 . 2]" 1
707 1 54 ALA HA 1 58 GLY H . . 4.240 3.950 3.271 4.246 0.006 10 0 "[ . 1 . 2]" 1
708 1 54 ALA HA 1 60 ILE MD . . 4.030 3.861 3.783 4.029 . 0 0 "[ . 1 . 2]" 1
709 1 54 ALA HA 1 77 ILE MD . . 4.720 4.266 4.108 4.754 0.034 7 0 "[ . 1 . 2]" 1
710 1 54 ALA HA 1 79 PHE QE . . 4.910 2.885 2.702 3.348 . 0 0 "[ . 1 . 2]" 1
711 1 54 ALA HA 1 79 PHE HZ . . 4.920 2.470 2.212 2.964 . 0 0 "[ . 1 . 2]" 1
712 1 54 ALA HA 1 88 PHE QD . . 2.550 2.489 1.978 2.566 0.016 16 0 "[ . 1 . 2]" 1
713 1 54 ALA HA 1 88 PHE QE . . 3.790 2.754 2.141 2.892 . 0 0 "[ . 1 . 2]" 1
714 1 54 ALA HA 1 92 PHE QE . . 5.500 5.312 4.301 5.503 0.003 20 0 "[ . 1 . 2]" 1
715 1 54 ALA MB 1 55 SER H . . 3.860 2.324 2.278 2.614 . 0 0 "[ . 1 . 2]" 1
716 1 54 ALA MB 1 56 SER H . . 4.390 4.247 4.220 4.289 . 0 0 "[ . 1 . 2]" 1
717 1 54 ALA MB 1 57 GLN H . . 5.500 4.514 4.243 4.561 . 0 0 "[ . 1 . 2]" 1
718 1 54 ALA MB 1 57 GLN QG . . 5.300 5.240 5.034 5.340 0.040 7 0 "[ . 1 . 2]" 1
719 1 54 ALA MB 1 60 ILE H . . 5.500 4.737 4.637 4.841 . 0 0 "[ . 1 . 2]" 1
720 1 54 ALA MB 1 60 ILE MD . . 3.290 1.913 1.863 2.218 . 0 0 "[ . 1 . 2]" 1
721 1 54 ALA MB 1 60 ILE HG12 . . 2.860 2.042 1.978 2.219 . 0 0 "[ . 1 . 2]" 1
722 1 54 ALA MB 1 77 ILE MD . . 4.020 2.729 2.586 2.863 . 0 0 "[ . 1 . 2]" 1
723 1 54 ALA MB 1 77 ILE MG . . 3.830 2.268 2.182 2.376 . 0 0 "[ . 1 . 2]" 1
724 1 54 ALA MB 1 79 PHE QD . . 4.550 3.824 3.704 4.006 . 0 0 "[ . 1 . 2]" 1
725 1 54 ALA MB 1 79 PHE QE . . 2.510 2.231 2.004 2.303 . 0 0 "[ . 1 . 2]" 1
726 1 54 ALA MB 1 79 PHE HZ . . 4.240 2.353 1.945 2.496 . 0 0 "[ . 1 . 2]" 1
727 1 54 ALA MB 1 88 PHE QD . . 4.850 3.902 3.013 4.006 . 0 0 "[ . 1 . 2]" 1
728 1 54 ALA MB 1 88 PHE QE . . 4.580 3.594 2.812 3.772 . 0 0 "[ . 1 . 2]" 1
729 1 55 SER H 1 55 SER QB . . 2.510 2.226 2.110 2.457 . 0 0 "[ . 1 . 2]" 1
730 1 55 SER H 1 56 SER H . . 3.910 2.701 2.666 2.754 . 0 0 "[ . 1 . 2]" 1
731 1 55 SER H 1 60 ILE MD . . 4.610 2.214 2.123 2.315 . 0 0 "[ . 1 . 2]" 1
732 1 55 SER H 1 60 ILE HG12 . . 5.230 4.118 4.020 4.168 . 0 0 "[ . 1 . 2]" 1
733 1 55 SER H 1 60 ILE MG . . 5.500 5.482 5.428 5.509 0.009 7 0 "[ . 1 . 2]" 1
734 1 55 SER H 1 63 ILE MD . . 5.500 4.791 4.725 4.923 . 0 0 "[ . 1 . 2]" 1
735 1 55 SER H 1 88 PHE QD . . 5.500 5.516 5.454 5.568 0.068 10 0 "[ . 1 . 2]" 1
736 1 55 SER HA 1 58 GLY H . . 5.030 4.089 3.861 4.615 . 0 0 "[ . 1 . 2]" 1
737 1 55 SER HA 1 60 ILE MD . . 4.340 2.109 1.906 2.166 . 0 0 "[ . 1 . 2]" 1
738 1 55 SER HA 1 60 ILE HG12 . . 5.030 4.878 4.558 4.952 . 0 0 "[ . 1 . 2]" 1
739 1 55 SER HA 1 79 PHE QE . . 5.170 4.199 4.027 4.701 . 0 0 "[ . 1 . 2]" 1
740 1 55 SER QB 1 60 ILE MD . . 2.650 2.389 2.298 2.514 . 0 0 "[ . 1 . 2]" 1
741 1 56 SER H 1 56 SER QB . . 3.100 2.103 2.050 2.246 . 0 0 "[ . 1 . 2]" 1
742 1 56 SER H 1 57 GLN H . . 3.400 2.657 2.356 2.700 . 0 0 "[ . 1 . 2]" 1
743 1 56 SER H 1 60 ILE MD . . 5.480 4.211 4.149 4.268 . 0 0 "[ . 1 . 2]" 1
744 1 56 SER H 1 79 PHE QE . . 5.500 5.474 5.387 5.555 0.055 7 0 "[ . 1 . 2]" 1
745 1 56 SER H 1 88 PHE QD . . 5.280 4.946 4.822 5.360 0.080 7 0 "[ . 1 . 2]" 1
746 1 56 SER QB 1 57 GLN H . . 3.340 3.020 2.788 3.197 . 0 0 "[ . 1 . 2]" 1
747 1 56 SER QB 1 57 GLN QG . . 5.150 2.828 2.706 3.459 . 0 0 "[ . 1 . 2]" 1
748 1 57 GLN H 1 57 GLN HB2 . . 3.200 2.500 2.251 2.580 . 0 0 "[ . 1 . 2]" 1
749 1 57 GLN H 1 57 GLN QG . . 3.080 2.867 2.738 3.100 0.020 7 0 "[ . 1 . 2]" 1
750 1 57 GLN H 1 58 GLY H . . 3.480 2.638 2.493 2.862 . 0 0 "[ . 1 . 2]" 1
751 1 57 GLN H 1 60 ILE MD . . 4.770 4.544 4.436 4.607 . 0 0 "[ . 1 . 2]" 1
752 1 57 GLN HA 1 57 GLN HB3 . . 2.590 2.510 2.478 2.617 0.027 7 0 "[ . 1 . 2]" 1
753 1 57 GLN HA 1 57 GLN QG . . 3.140 2.662 2.230 2.827 . 0 0 "[ . 1 . 2]" 1
754 1 57 GLN HA 1 88 PHE QD . . 5.460 4.962 4.854 5.237 . 0 0 "[ . 1 . 2]" 1
755 1 57 GLN HB2 1 58 GLY H . . 4.290 2.015 1.947 2.192 . 0 0 "[ . 1 . 2]" 1
756 1 57 GLN HB2 1 87 ALA MB . . 5.500 4.267 4.038 4.693 . 0 0 "[ . 1 . 2]" 1
757 1 57 GLN HB3 1 58 GLY H . . 4.690 2.867 2.587 3.000 . 0 0 "[ . 1 . 2]" 1
758 1 57 GLN HB3 1 79 PHE QE . . 4.950 4.895 4.270 4.954 0.004 5 0 "[ . 1 . 2]" 1
759 1 57 GLN HB3 1 87 ALA MB . . 3.360 2.926 2.697 3.187 . 0 0 "[ . 1 . 2]" 1
760 1 57 GLN HB3 1 88 PHE HA . . 3.510 3.115 2.964 3.347 . 0 0 "[ . 1 . 2]" 1
761 1 57 GLN QG 1 58 GLY H . . 4.440 3.828 3.761 4.069 . 0 0 "[ . 1 . 2]" 1
762 1 57 GLN QG 1 87 ALA MB . . 5.340 4.194 3.579 4.336 . 0 0 "[ . 1 . 2]" 1
763 1 57 GLN QG 1 88 PHE HA . . 2.760 2.028 1.987 2.771 0.011 7 0 "[ . 1 . 2]" 1
764 1 57 GLN QG 1 88 PHE QD . . 4.340 2.202 1.992 3.499 . 0 0 "[ . 1 . 2]" 1
765 1 57 GLN QG 1 92 PHE QE . . 4.430 2.338 1.962 3.485 . 0 0 "[ . 1 . 2]" 1
766 1 58 GLY H 1 59 ASP H . . 4.660 4.477 4.456 4.494 . 0 0 "[ . 1 . 2]" 1
767 1 58 GLY H 1 60 ILE MD . . 4.770 4.289 4.070 4.376 . 0 0 "[ . 1 . 2]" 1
768 1 58 GLY H 1 79 PHE QE . . 2.700 2.676 2.487 2.709 0.009 15 0 "[ . 1 . 2]" 1
769 1 58 GLY H 1 88 PHE QD . . 5.460 3.980 3.784 4.085 . 0 0 "[ . 1 . 2]" 1
770 1 58 GLY HA2 1 59 ASP H . . 2.630 2.467 2.409 2.513 . 0 0 "[ . 1 . 2]" 1
771 1 58 GLY HA3 1 59 ASP H . . 2.700 2.662 2.613 2.728 0.028 7 0 "[ . 1 . 2]" 1
772 1 58 GLY HA3 1 79 PHE QD . . 2.930 2.930 2.793 2.951 0.021 16 0 "[ . 1 . 2]" 1
773 1 59 ASP H 1 59 ASP QB . . 2.980 2.281 2.082 2.560 . 0 0 "[ . 1 . 2]" 1
774 1 59 ASP H 1 60 ILE H . . 5.500 4.604 4.573 4.618 . 0 0 "[ . 1 . 2]" 1
775 1 59 ASP H 1 61 LEU QD . . 5.440 5.023 4.972 5.136 . 0 0 "[ . 1 . 2]" 1
776 1 59 ASP H 1 79 PHE QD . . 4.810 3.570 3.463 3.681 . 0 0 "[ . 1 . 2]" 1
777 1 59 ASP H 1 80 ALA MB . . 4.310 3.277 3.147 3.405 . 0 0 "[ . 1 . 2]" 1
778 1 59 ASP H 1 84 SER QB . . 4.650 3.346 3.219 3.598 . 0 0 "[ . 1 . 2]" 1
779 1 59 ASP HA 1 59 ASP QB . . 2.710 2.440 2.312 2.540 . 0 0 "[ . 1 . 2]" 1
780 1 59 ASP HA 1 60 ILE H . . 3.170 2.231 2.171 2.257 . 0 0 "[ . 1 . 2]" 1
781 1 59 ASP HA 1 60 ILE HB . . 5.220 4.664 4.650 4.694 . 0 0 "[ . 1 . 2]" 1
782 1 59 ASP HA 1 60 ILE HG12 . . 5.500 5.499 5.481 5.532 0.032 7 0 "[ . 1 . 2]" 1
783 1 59 ASP HA 1 79 PHE QD . . 5.460 4.281 4.173 4.357 . 0 0 "[ . 1 . 2]" 1
784 1 59 ASP QB 1 60 ILE H . . 3.480 2.931 2.786 3.281 . 0 0 "[ . 1 . 2]" 1
785 1 59 ASP QB 1 61 LEU QD . . 3.460 2.968 2.838 3.084 . 0 0 "[ . 1 . 2]" 1
786 1 59 ASP QB 1 80 ALA H . . 3.860 3.499 3.259 3.661 . 0 0 "[ . 1 . 2]" 1
787 1 59 ASP QB 1 80 ALA MB . . 2.980 2.375 2.188 2.624 . 0 0 "[ . 1 . 2]" 1
788 1 60 ILE H 1 60 ILE HB . . 2.810 2.597 2.583 2.614 . 0 0 "[ . 1 . 2]" 1
789 1 60 ILE H 1 60 ILE MD . . 3.150 2.284 2.138 2.377 . 0 0 "[ . 1 . 2]" 1
790 1 60 ILE H 1 60 ILE HG12 . . 4.390 4.183 4.083 4.235 . 0 0 "[ . 1 . 2]" 1
791 1 60 ILE H 1 60 ILE HG13 . . 3.360 3.225 3.069 3.263 . 0 0 "[ . 1 . 2]" 1
792 1 60 ILE H 1 60 ILE MG . . 3.980 3.832 3.824 3.840 . 0 0 "[ . 1 . 2]" 1
793 1 60 ILE H 1 61 LEU H . . 4.850 4.469 4.449 4.496 . 0 0 "[ . 1 . 2]" 1
794 1 60 ILE H 1 61 LEU QD . . 5.440 3.954 3.904 4.014 . 0 0 "[ . 1 . 2]" 1
795 1 60 ILE HA 1 60 ILE MD . . 4.230 3.502 3.429 3.548 . 0 0 "[ . 1 . 2]" 1
796 1 60 ILE HA 1 60 ILE HG13 . . 3.240 2.378 2.363 2.411 . 0 0 "[ . 1 . 2]" 1
797 1 60 ILE HA 1 60 ILE MG . . 3.330 2.308 2.288 2.318 . 0 0 "[ . 1 . 2]" 1
798 1 60 ILE HA 1 61 LEU H . . 2.400 2.174 2.170 2.190 . 0 0 "[ . 1 . 2]" 1
799 1 60 ILE HA 1 61 LEU QD . . 3.360 3.364 3.362 3.368 0.009 16 0 "[ . 1 . 2]" 1
800 1 60 ILE HA 1 62 ASP H . . 5.500 3.767 3.721 4.049 . 0 0 "[ . 1 . 2]" 1
801 1 60 ILE HA 1 78 VAL HB . . 5.500 5.001 4.950 5.315 . 0 0 "[ . 1 . 2]" 1
802 1 60 ILE HA 1 79 PHE HA . . 3.380 2.222 2.181 2.247 . 0 0 "[ . 1 . 2]" 1
803 1 60 ILE HB 1 60 ILE HG12 . . 2.740 2.710 2.666 2.723 . 0 0 "[ . 1 . 2]" 1
804 1 60 ILE MD 1 60 ILE MG . . 3.810 3.107 3.093 3.151 . 0 0 "[ . 1 . 2]" 1
805 1 60 ILE MD 1 61 LEU H . . 5.340 5.046 4.996 5.064 . 0 0 "[ . 1 . 2]" 1
806 1 60 ILE MD 1 63 ILE MD . . 3.650 3.213 3.139 3.457 . 0 0 "[ . 1 . 2]" 1
807 1 60 ILE MD 1 77 ILE MG . . 4.540 3.886 3.805 3.972 . 0 0 "[ . 1 . 2]" 1
808 1 60 ILE MD 1 79 PHE HA . . 4.960 4.944 4.914 4.965 0.005 7 0 "[ . 1 . 2]" 1
809 1 60 ILE MD 1 79 PHE QD . . 3.960 3.924 3.754 3.961 0.001 12 0 "[ . 1 . 2]" 1
810 1 60 ILE MD 1 79 PHE QE . . 4.690 3.115 2.928 3.262 . 0 0 "[ . 1 . 2]" 1
811 1 60 ILE MD 1 79 PHE HZ . . 5.430 4.540 4.385 4.727 . 0 0 "[ . 1 . 2]" 1
812 1 60 ILE HG12 1 63 ILE HG13 . . 3.990 3.824 3.800 3.909 . 0 0 "[ . 1 . 2]" 1
813 1 60 ILE HG13 1 79 PHE QD . . 3.130 3.139 3.072 3.150 0.020 19 0 "[ . 1 . 2]" 1
814 1 60 ILE MG 1 61 LEU H . . 4.190 2.158 2.075 2.180 . 0 0 "[ . 1 . 2]" 1
815 1 60 ILE MG 1 61 LEU HA . . 4.410 3.892 3.878 3.920 . 0 0 "[ . 1 . 2]" 1
816 1 60 ILE MG 1 62 ASP H . . 3.850 1.985 1.926 2.369 . 0 0 "[ . 1 . 2]" 1
817 1 60 ILE MG 1 62 ASP HA . . 4.940 3.295 3.267 3.464 . 0 0 "[ . 1 . 2]" 1
818 1 60 ILE MG 1 63 ILE H . . 3.290 3.348 3.325 3.384 0.094 16 0 "[ . 1 . 2]" 1
819 1 60 ILE MG 1 63 ILE MD . . 4.600 2.426 2.323 2.481 . 0 0 "[ . 1 . 2]" 1
820 1 60 ILE MG 1 63 ILE HG12 . . 2.780 2.041 2.013 2.115 . 0 0 "[ . 1 . 2]" 1
821 1 60 ILE MG 1 63 ILE HG13 . . 2.400 1.880 1.878 1.884 . 0 0 "[ . 1 . 2]" 1
822 1 60 ILE MG 1 77 ILE HA . . 4.680 3.890 3.691 4.039 . 0 0 "[ . 1 . 2]" 1
823 1 60 ILE MG 1 77 ILE MG . . 3.050 2.410 2.296 2.464 . 0 0 "[ . 1 . 2]" 1
824 1 60 ILE MG 1 78 VAL H . . 4.680 3.418 3.333 3.623 . 0 0 "[ . 1 . 2]" 1
825 1 60 ILE MG 1 79 PHE HA . . 5.400 3.614 3.432 3.673 . 0 0 "[ . 1 . 2]" 1
826 1 61 LEU H 1 61 LEU QB . . 3.890 2.678 2.654 2.684 . 0 0 "[ . 1 . 2]" 1
827 1 61 LEU H 1 61 LEU QD . . 3.050 2.810 2.782 2.850 . 0 0 "[ . 1 . 2]" 1
828 1 61 LEU H 1 61 LEU HG . . 3.130 2.295 2.266 2.381 . 0 0 "[ . 1 . 2]" 1
829 1 61 LEU H 1 62 ASP H . . 3.710 2.118 2.087 2.174 . 0 0 "[ . 1 . 2]" 1
830 1 61 LEU H 1 78 VAL HB . . 3.700 3.352 3.267 3.656 . 0 0 "[ . 1 . 2]" 1
831 1 61 LEU H 1 79 PHE QD . . 5.500 5.041 4.942 5.077 . 0 0 "[ . 1 . 2]" 1
832 1 61 LEU H 1 80 ALA H . . 5.340 4.594 4.475 4.728 . 0 0 "[ . 1 . 2]" 1
833 1 61 LEU HA 1 61 LEU QD . . 2.400 2.247 2.210 2.278 . 0 0 "[ . 1 . 2]" 1
834 1 61 LEU QB 1 62 ASP H . . 3.480 2.885 2.542 2.952 . 0 0 "[ . 1 . 2]" 1
835 1 61 LEU QB 1 62 ASP QB . . 3.970 3.191 3.095 3.879 . 0 0 "[ . 1 . 2]" 1
836 1 61 LEU QB 1 78 VAL HB . . 4.190 3.033 2.920 3.198 . 0 0 "[ . 1 . 2]" 1
837 1 61 LEU QB 1 78 VAL QG . . 4.030 2.177 2.008 2.540 . 0 0 "[ . 1 . 2]" 1
838 1 61 LEU QB 1 80 ALA HA . . 4.960 4.347 4.231 4.455 . 0 0 "[ . 1 . 2]" 1
839 1 61 LEU QD 1 80 ALA HA . . 2.990 1.766 1.748 1.809 . 0 0 "[ . 1 . 2]" 1
840 1 61 LEU MD1 1 80 ALA HA . . 3.460 1.966 1.944 2.039 . 0 0 "[ . 1 . 2]" 1
841 1 61 LEU MD1 1 81 THR H . . 5.500 4.569 4.434 4.671 . 0 0 "[ . 1 . 2]" 1
842 1 61 LEU MD2 1 80 ALA HA . . 3.460 2.003 1.957 2.152 . 0 0 "[ . 1 . 2]" 1
843 1 61 LEU MD2 1 81 THR H . . 5.500 4.928 4.867 5.016 . 0 0 "[ . 1 . 2]" 1
844 1 61 LEU HG 1 80 ALA H . . 5.110 3.575 3.479 3.702 . 0 0 "[ . 1 . 2]" 1
845 1 61 LEU HG 1 80 ALA HA . . 3.740 2.836 2.610 3.007 . 0 0 "[ . 1 . 2]" 1
846 1 62 ASP H 1 62 ASP HB2 . . 3.730 3.476 3.140 3.814 0.084 16 0 "[ . 1 . 2]" 1
847 1 62 ASP H 1 62 ASP QB . . 3.160 2.994 2.967 3.376 0.216 16 0 "[ . 1 . 2]" 1
848 1 62 ASP H 1 62 ASP HB3 . . 3.730 3.380 3.116 3.766 0.036 16 0 "[ . 1 . 2]" 1
849 1 62 ASP H 1 63 ILE H . . 3.870 3.925 3.907 3.985 0.115 16 0 "[ . 1 . 2]" 1
850 1 62 ASP H 1 77 ILE MG . . 5.500 4.570 4.502 4.697 . 0 0 "[ . 1 . 2]" 1
851 1 62 ASP H 1 78 VAL H . . 4.530 3.674 3.547 3.809 . 0 0 "[ . 1 . 2]" 1
852 1 62 ASP H 1 78 VAL HB . . 2.880 2.387 2.296 2.497 . 0 0 "[ . 1 . 2]" 1
853 1 62 ASP QB 1 63 ILE H . . 4.420 3.650 3.309 3.776 . 0 0 "[ . 1 . 2]" 1
854 1 62 ASP QB 1 64 VAL MG2 . . 5.090 3.582 3.166 4.044 . 0 0 "[ . 1 . 2]" 1
855 1 62 ASP QB 1 78 VAL H . . 5.340 4.464 4.304 4.761 . 0 0 "[ . 1 . 2]" 1
856 1 62 ASP QB 1 78 VAL QG . . 3.500 2.725 2.641 3.279 . 0 0 "[ . 1 . 2]" 1
857 1 63 ILE H 1 63 ILE HB . . 4.200 2.582 2.538 2.609 . 0 0 "[ . 1 . 2]" 1
858 1 63 ILE H 1 63 ILE MD . . 5.190 3.925 3.913 3.965 . 0 0 "[ . 1 . 2]" 1
859 1 63 ILE H 1 63 ILE HG12 . . 3.880 3.672 3.638 3.691 . 0 0 "[ . 1 . 2]" 1
860 1 63 ILE H 1 63 ILE HG13 . . 2.550 2.567 2.553 2.584 0.034 6 0 "[ . 1 . 2]" 1
861 1 63 ILE H 1 64 VAL H . . 4.700 4.277 4.254 4.291 . 0 0 "[ . 1 . 2]" 1
862 1 63 ILE H 1 78 VAL H . . 5.210 4.742 4.661 4.777 . 0 0 "[ . 1 . 2]" 1
863 1 63 ILE HA 1 63 ILE HG12 . . 2.550 2.512 2.480 2.532 . 0 0 "[ . 1 . 2]" 1
864 1 63 ILE HA 1 63 ILE HG13 . . 3.200 3.120 3.100 3.162 . 0 0 "[ . 1 . 2]" 1
865 1 63 ILE HA 1 63 ILE MG . . 2.570 2.386 2.347 2.397 . 0 0 "[ . 1 . 2]" 1
866 1 63 ILE HA 1 77 ILE HA . . 3.920 2.438 2.404 2.481 . 0 0 "[ . 1 . 2]" 1
867 1 63 ILE HA 1 78 VAL H . . 2.740 2.674 2.615 2.704 . 0 0 "[ . 1 . 2]" 1
868 1 63 ILE HA 1 78 VAL QG . . 3.430 3.445 3.384 3.471 0.041 16 0 "[ . 1 . 2]" 1
869 1 63 ILE HB 1 63 ILE MD . . 2.550 2.410 2.385 2.426 . 0 0 "[ . 1 . 2]" 1
870 1 63 ILE HB 1 63 ILE HG13 . . 2.820 2.440 2.427 2.444 . 0 0 "[ . 1 . 2]" 1
871 1 63 ILE MD 1 77 ILE MD . . 3.900 3.347 2.930 3.542 . 0 0 "[ . 1 . 2]" 1
872 1 63 ILE MD 1 77 ILE HG13 . . 5.490 4.978 4.453 5.165 . 0 0 "[ . 1 . 2]" 1
873 1 63 ILE MD 1 77 ILE MG . . 3.540 2.563 2.050 2.751 . 0 0 "[ . 1 . 2]" 1
874 1 63 ILE HG12 1 63 ILE MG . . 3.000 2.402 2.365 2.429 . 0 0 "[ . 1 . 2]" 1
875 1 63 ILE HG13 1 77 ILE MG . . 3.930 3.584 3.425 3.694 . 0 0 "[ . 1 . 2]" 1
876 1 63 ILE MG 1 64 VAL H . . 2.980 2.986 2.797 3.034 0.054 16 0 "[ . 1 . 2]" 1
877 1 63 ILE MG 1 65 VAL H . . 4.660 4.682 4.643 4.718 0.058 13 0 "[ . 1 . 2]" 1
878 1 63 ILE MG 1 77 ILE HA . . 4.210 2.692 2.397 2.983 . 0 0 "[ . 1 . 2]" 1
879 1 63 ILE MG 1 77 ILE MD . . 5.500 3.340 3.233 3.405 . 0 0 "[ . 1 . 2]" 1
880 1 63 ILE MG 1 78 VAL H . . 4.390 4.133 3.985 4.247 . 0 0 "[ . 1 . 2]" 1
881 1 64 VAL H 1 64 VAL HB . . 2.770 2.555 2.502 2.614 . 0 0 "[ . 1 . 2]" 1
882 1 64 VAL H 1 64 VAL MG2 . . 2.550 2.419 2.331 2.511 . 0 0 "[ . 1 . 2]" 1
883 1 64 VAL H 1 65 VAL H . . 5.150 4.558 4.552 4.573 . 0 0 "[ . 1 . 2]" 1
884 1 64 VAL H 1 76 TYR HA . . 5.360 5.002 4.885 5.082 . 0 0 "[ . 1 . 2]" 1
885 1 64 VAL H 1 76 TYR HB2 . . 5.400 3.419 3.056 3.607 . 0 0 "[ . 1 . 2]" 1
886 1 64 VAL H 1 76 TYR QD . . 4.800 4.245 3.930 4.426 . 0 0 "[ . 1 . 2]" 1
887 1 64 VAL H 1 77 ILE HA . . 5.500 3.309 3.111 3.640 . 0 0 "[ . 1 . 2]" 1
888 1 64 VAL HA 1 64 VAL MG1 . . 2.400 2.285 2.223 2.378 . 0 0 "[ . 1 . 2]" 1
889 1 64 VAL HA 1 64 VAL MG2 . . 3.740 2.376 2.315 2.423 . 0 0 "[ . 1 . 2]" 1
890 1 64 VAL HA 1 65 VAL H . . 2.890 2.245 2.229 2.268 . 0 0 "[ . 1 . 2]" 1
891 1 64 VAL HA 1 65 VAL HB . . 4.740 4.593 4.514 4.645 . 0 0 "[ . 1 . 2]" 1
892 1 64 VAL HB 1 65 VAL H . . 5.500 3.870 3.770 3.945 . 0 0 "[ . 1 . 2]" 1
893 1 64 VAL HB 1 76 TYR H . . 3.460 3.340 3.206 3.465 0.005 13 0 "[ . 1 . 2]" 1
894 1 64 VAL HB 1 76 TYR HB2 . . 3.260 2.348 2.242 2.417 . 0 0 "[ . 1 . 2]" 1
895 1 64 VAL HB 1 76 TYR HB3 . . 4.110 4.095 3.968 4.155 0.045 16 0 "[ . 1 . 2]" 1
896 1 64 VAL HB 1 76 TYR QD . . 4.160 2.182 1.994 2.365 . 0 0 "[ . 1 . 2]" 1
897 1 64 VAL MG1 1 65 VAL H . . 3.140 2.026 1.918 2.245 . 0 0 "[ . 1 . 2]" 1
898 1 64 VAL MG1 1 76 TYR HB2 . . 3.820 3.715 3.611 3.828 0.008 17 0 "[ . 1 . 2]" 1
899 1 64 VAL MG1 1 76 TYR QD . . 2.470 2.140 2.028 2.302 . 0 0 "[ . 1 . 2]" 1
900 1 64 VAL MG1 1 76 TYR QE . . 3.000 2.938 2.624 3.009 0.009 2 0 "[ . 1 . 2]" 1
901 1 64 VAL MG2 1 65 VAL H . . 5.020 3.901 3.864 3.939 . 0 0 "[ . 1 . 2]" 1
902 1 64 VAL MG2 1 76 TYR HB2 . . 5.500 3.397 3.118 3.554 . 0 0 "[ . 1 . 2]" 1
903 1 64 VAL MG2 1 76 TYR HB3 . . 5.500 4.733 4.497 4.911 . 0 0 "[ . 1 . 2]" 1
904 1 65 VAL H 1 65 VAL HB . . 4.210 2.877 2.754 2.933 . 0 0 "[ . 1 . 2]" 1
905 1 65 VAL H 1 65 VAL MG1 . . 3.970 3.943 3.884 3.969 . 0 0 "[ . 1 . 2]" 1
906 1 65 VAL H 1 65 VAL QG . . 3.340 2.830 2.774 2.900 . 0 0 "[ . 1 . 2]" 1
907 1 65 VAL H 1 65 VAL MG2 . . 3.970 2.901 2.834 2.984 . 0 0 "[ . 1 . 2]" 1
908 1 65 VAL H 1 66 ASP H . . 4.270 4.285 4.228 4.366 0.096 17 0 "[ . 1 . 2]" 1
909 1 65 VAL H 1 75 ALA HA . . 5.080 4.912 4.727 5.039 . 0 0 "[ . 1 . 2]" 1
910 1 65 VAL H 1 76 TYR QD . . 4.380 4.357 4.161 4.406 0.026 7 0 "[ . 1 . 2]" 1
911 1 65 VAL HA 1 65 VAL HB . . 3.000 3.020 3.018 3.022 0.022 2 0 "[ . 1 . 2]" 1
912 1 65 VAL HA 1 65 VAL MG1 . . 2.400 2.323 2.227 2.400 . 0 0 "[ . 1 . 2]" 1
913 1 65 VAL HA 1 65 VAL MG2 . . 2.400 2.397 2.359 2.415 0.015 19 0 "[ . 1 . 2]" 1
914 1 65 VAL HA 1 75 ALA HA . . 3.840 2.374 2.236 2.540 . 0 0 "[ . 1 . 2]" 1
915 1 65 VAL HA 1 75 ALA MB . . 3.550 2.185 1.961 2.392 . 0 0 "[ . 1 . 2]" 1
916 1 65 VAL HA 1 76 TYR H . . 3.930 3.155 2.949 3.419 . 0 0 "[ . 1 . 2]" 1
917 1 65 VAL HA 1 76 TYR QD . . 5.150 3.870 3.777 4.013 . 0 0 "[ . 1 . 2]" 1
918 1 65 VAL HA 1 76 TYR QE . . 5.500 4.507 4.347 4.611 . 0 0 "[ . 1 . 2]" 1
919 1 65 VAL HB 1 66 ASP H . . 4.500 4.029 3.895 4.134 . 0 0 "[ . 1 . 2]" 1
920 1 65 VAL QG 1 66 ASP H . . 2.550 2.255 2.080 2.508 . 0 0 "[ . 1 . 2]" 1
921 1 65 VAL QG 1 66 ASP HA . . 5.440 4.027 3.848 4.112 . 0 0 "[ . 1 . 2]" 1
922 1 65 VAL QG 1 73 GLY HA2 . . 5.440 5.165 4.907 5.321 . 0 0 "[ . 1 . 2]" 1
923 1 65 VAL QG 1 75 ALA HA . . 3.730 3.287 3.148 3.466 . 0 0 "[ . 1 . 2]" 1
924 1 65 VAL QG 1 76 TYR H . . 5.100 3.388 3.224 3.586 . 0 0 "[ . 1 . 2]" 1
925 1 65 VAL QG 1 76 TYR QD . . 5.440 4.587 4.496 4.700 . 0 0 "[ . 1 . 2]" 1
926 1 66 ASP H 1 66 ASP HA . . 2.850 2.814 2.808 2.870 0.020 17 0 "[ . 1 . 2]" 1
927 1 66 ASP H 1 66 ASP HB2 . . 3.780 2.515 2.103 3.588 . 0 0 "[ . 1 . 2]" 1
928 1 66 ASP H 1 66 ASP HB3 . . 3.780 2.936 2.421 3.588 . 0 0 "[ . 1 . 2]" 1
929 1 66 ASP H 1 68 SER H . . 4.140 4.150 4.093 4.259 0.119 17 0 "[ . 1 . 2]" 1
930 1 66 ASP H 1 74 LYS H . . 4.680 4.091 3.767 4.234 . 0 0 "[ . 1 . 2]" 1
931 1 66 ASP H 1 74 LYS HB2 . . 5.500 5.517 5.312 5.566 0.066 19 0 "[ . 1 . 2]" 1
932 1 66 ASP H 1 74 LYS QD . . 5.500 5.476 5.372 5.546 0.046 19 0 "[ . 1 . 2]" 1
933 1 66 ASP H 1 75 ALA HA . . 3.080 2.646 2.469 2.945 . 0 0 "[ . 1 . 2]" 1
934 1 66 ASP HA 1 67 LEU H . . 3.260 2.795 2.779 2.819 . 0 0 "[ . 1 . 2]" 1
935 1 66 ASP HA 1 67 LEU QD . . 5.440 3.182 3.104 3.223 . 0 0 "[ . 1 . 2]" 1
936 1 66 ASP QB 1 67 LEU H . . 4.220 2.085 1.864 2.259 . 0 0 "[ . 1 . 2]" 1
937 1 66 ASP QB 1 68 SER H . . 4.680 2.562 2.105 3.397 . 0 0 "[ . 1 . 2]" 1
938 1 66 ASP QB 1 68 SER HA . . 5.210 3.949 3.572 4.761 . 0 0 "[ . 1 . 2]" 1
939 1 66 ASP QB 1 69 ASP H . . 5.160 3.667 3.349 4.179 . 0 0 "[ . 1 . 2]" 1
940 1 66 ASP QB 1 74 LYS HB2 . . 5.340 4.587 3.981 5.301 . 0 0 "[ . 1 . 2]" 1
941 1 66 ASP QB 1 74 LYS QD . . 5.340 3.741 3.351 4.071 . 0 0 "[ . 1 . 2]" 1
942 1 66 ASP HB2 1 67 LEU H . . 4.900 3.090 1.903 3.548 . 0 0 "[ . 1 . 2]" 1
943 1 66 ASP HB3 1 67 LEU H . . 4.900 2.490 1.895 3.473 . 0 0 "[ . 1 . 2]" 1
944 1 67 LEU H 1 67 LEU HB2 . . 3.590 3.596 3.588 3.624 0.034 17 0 "[ . 1 . 2]" 1
945 1 67 LEU H 1 67 LEU HB3 . . 3.080 2.991 2.960 3.065 . 0 0 "[ . 1 . 2]" 1
946 1 67 LEU H 1 67 LEU MD1 . . 2.400 1.872 1.845 1.891 . 0 0 "[ . 1 . 2]" 1
947 1 67 LEU H 1 67 LEU MD2 . . 2.400 1.838 1.824 1.853 . 0 0 "[ . 1 . 2]" 1
948 1 67 LEU H 1 67 LEU HG . . 3.630 3.597 3.586 3.639 0.009 17 0 "[ . 1 . 2]" 1
949 1 67 LEU H 1 68 SER H . . 3.770 2.679 2.419 2.766 . 0 0 "[ . 1 . 2]" 1
950 1 67 LEU H 1 68 SER HA . . 5.500 4.706 4.492 4.747 . 0 0 "[ . 1 . 2]" 1
951 1 67 LEU H 1 68 SER QB . . 5.440 5.294 4.949 5.475 0.035 8 0 "[ . 1 . 2]" 1
952 1 67 LEU H 1 69 ASP H . . 5.060 4.012 3.859 4.588 . 0 0 "[ . 1 . 2]" 1
953 1 67 LEU HA 1 67 LEU HB3 . . 2.790 2.336 2.335 2.339 . 0 0 "[ . 1 . 2]" 1
954 1 67 LEU HA 1 67 LEU QD . . 4.120 3.007 3.000 3.024 . 0 0 "[ . 1 . 2]" 1
955 1 67 LEU HA 1 68 SER H . . 3.490 3.048 2.990 3.144 . 0 0 "[ . 1 . 2]" 1
956 1 67 LEU HA 1 68 SER QB . . 4.450 4.249 3.854 4.461 0.011 14 0 "[ . 1 . 2]" 1
957 1 67 LEU HB2 1 67 LEU QD . . 2.650 2.435 2.425 2.440 . 0 0 "[ . 1 . 2]" 1
958 1 67 LEU HB2 1 68 SER H . . 5.460 4.334 4.284 4.360 . 0 0 "[ . 1 . 2]" 1
959 1 67 LEU HB3 1 67 LEU QD . . 2.710 2.073 2.031 2.098 . 0 0 "[ . 1 . 2]" 1
960 1 67 LEU HB3 1 68 SER H . . 5.200 4.580 4.532 4.603 . 0 0 "[ . 1 . 2]" 1
961 1 67 LEU QD 1 68 SER H . . 2.710 2.595 2.377 2.723 0.013 5 0 "[ . 1 . 2]" 1
962 1 67 LEU QD 1 69 ASP H . . 4.370 2.233 2.061 2.682 . 0 0 "[ . 1 . 2]" 1
963 1 67 LEU QD 1 69 ASP HB2 . . 3.400 2.065 1.905 2.338 . 0 0 "[ . 1 . 2]" 1
964 1 67 LEU QD 1 69 ASP HB3 . . 4.220 3.349 3.216 3.735 . 0 0 "[ . 1 . 2]" 1
965 1 67 LEU QD 1 73 GLY H . . 4.030 3.827 3.638 4.097 0.067 17 0 "[ . 1 . 2]" 1
966 1 67 LEU QD 1 73 GLY HA2 . . 4.550 4.483 4.230 4.649 0.099 17 0 "[ . 1 . 2]" 1
967 1 68 SER H 1 68 SER QB . . 3.460 3.174 2.879 3.395 . 0 0 "[ . 1 . 2]" 1
968 1 68 SER H 1 73 GLY HA2 . . 4.370 4.152 3.633 4.352 . 0 0 "[ . 1 . 2]" 1
969 1 68 SER QB 1 74 LYS H . . 5.400 5.425 5.409 5.440 0.040 7 0 "[ . 1 . 2]" 1
970 1 69 ASP H 1 69 ASP HB2 . . 2.970 2.114 2.068 2.363 . 0 0 "[ . 1 . 2]" 1
971 1 69 ASP H 1 69 ASP HB3 . . 4.040 3.207 2.814 3.280 . 0 0 "[ . 1 . 2]" 1
972 1 69 ASP H 1 72 SER H . . 4.470 4.103 3.416 4.409 . 0 0 "[ . 1 . 2]" 1
973 1 69 ASP H 1 72 SER QB . . 4.150 3.166 2.137 3.421 . 0 0 "[ . 1 . 2]" 1
974 1 69 ASP HA 1 70 ASP HA . . 4.760 4.365 4.323 4.867 0.107 17 0 "[ . 1 . 2]" 1
975 1 69 ASP HB2 1 70 ASP H . . 4.450 4.184 3.595 4.429 . 0 0 "[ . 1 . 2]" 1
976 1 69 ASP HB2 1 72 SER QB . . 4.900 2.119 1.978 2.442 . 0 0 "[ . 1 . 2]" 1
977 1 69 ASP HB3 1 71 ASN H . . 3.300 2.278 2.157 3.296 . 0 0 "[ . 1 . 2]" 1
978 1 69 ASP HB3 1 72 SER H . . 2.400 1.960 1.926 2.402 0.002 17 0 "[ . 1 . 2]" 1
979 1 69 ASP HB3 1 72 SER QB . . 2.400 2.203 1.981 2.405 0.005 2 0 "[ . 1 . 2]" 1
980 1 70 ASP H 1 70 ASP QB . . 3.370 2.301 2.077 3.052 . 0 0 "[ . 1 . 2]" 1
981 1 70 ASP H 1 71 ASN H . . 4.470 2.524 2.015 3.608 . 0 0 "[ . 1 . 2]" 1
982 1 70 ASP H 1 72 SER H . . 4.840 3.805 3.214 3.943 . 0 0 "[ . 1 . 2]" 1
983 1 70 ASP HA 1 71 ASN HA . . 5.190 4.523 4.508 4.594 . 0 0 "[ . 1 . 2]" 1
984 1 70 ASP HA 1 72 SER H . . 4.750 4.157 4.057 4.518 . 0 0 "[ . 1 . 2]" 1
985 1 70 ASP QB 1 71 ASN H . . 3.480 3.195 2.201 3.323 . 0 0 "[ . 1 . 2]" 1
986 1 71 ASN H 1 71 ASN QB . . 3.150 2.554 2.171 3.122 . 0 0 "[ . 1 . 2]" 1
987 1 71 ASN H 1 72 SER H . . 3.020 1.922 1.867 2.205 . 0 0 "[ . 1 . 2]" 1
988 1 71 ASN H 1 72 SER HA . . 4.690 4.647 4.561 4.862 0.172 17 0 "[ . 1 . 2]" 1
989 1 71 ASN H 1 72 SER QB . . 5.500 3.796 3.538 4.236 . 0 0 "[ . 1 . 2]" 1
990 1 71 ASN QB 1 72 SER H . . 3.670 3.336 3.088 3.747 0.077 2 0 "[ . 1 . 2]" 1
991 1 72 SER H 1 72 SER QB . . 3.720 2.435 2.230 2.590 . 0 0 "[ . 1 . 2]" 1
992 1 72 SER H 1 73 GLY H . . 4.740 2.620 2.555 2.875 . 0 0 "[ . 1 . 2]" 1
993 1 72 SER H 1 73 GLY HA2 . . 5.090 4.677 4.595 5.034 . 0 0 "[ . 1 . 2]" 1
994 1 72 SER HA 1 72 SER QB . . 2.770 2.453 2.356 2.541 . 0 0 "[ . 1 . 2]" 1
995 1 72 SER QB 1 73 GLY H . . 3.910 2.013 1.919 2.129 . 0 0 "[ . 1 . 2]" 1
996 1 73 GLY H 1 74 LYS H . . 3.650 3.449 3.382 3.513 . 0 0 "[ . 1 . 2]" 1
997 1 73 GLY HA2 1 74 LYS H . . 2.410 2.281 2.265 2.311 . 0 0 "[ . 1 . 2]" 1
998 1 73 GLY HA3 1 74 LYS H . . 3.540 3.496 3.486 3.511 . 0 0 "[ . 1 . 2]" 1
999 1 74 LYS H 1 74 LYS HB3 . . 3.420 3.402 3.280 3.457 0.037 12 0 "[ . 1 . 2]" 1
1000 1 74 LYS H 1 74 LYS QD . . 4.680 4.107 3.391 4.586 . 0 0 "[ . 1 . 2]" 1
1001 1 74 LYS H 1 74 LYS HG2 . . 4.100 2.550 2.154 2.875 . 0 0 "[ . 1 . 2]" 1
1002 1 74 LYS H 1 74 LYS QG . . 3.360 2.447 2.136 2.600 . 0 0 "[ . 1 . 2]" 1
1003 1 74 LYS H 1 74 LYS HG3 . . 4.100 3.447 2.905 4.053 . 0 0 "[ . 1 . 2]" 1
1004 1 74 LYS H 1 75 ALA H . . 4.820 4.381 4.371 4.430 . 0 0 "[ . 1 . 2]" 1
1005 1 74 LYS HA 1 74 LYS HB3 . . 2.780 2.436 2.389 2.481 . 0 0 "[ . 1 . 2]" 1
1006 1 74 LYS HA 1 74 LYS HG2 . . 4.000 3.690 3.577 3.843 . 0 0 "[ . 1 . 2]" 1
1007 1 74 LYS HA 1 74 LYS QG . . 3.450 3.343 3.335 3.349 . 0 0 "[ . 1 . 2]" 1
1008 1 74 LYS HA 1 74 LYS HG3 . . 4.000 3.852 3.672 4.028 0.028 8 0 "[ . 1 . 2]" 1
1009 1 74 LYS HA 1 75 ALA H . . 3.300 2.566 2.371 2.617 . 0 0 "[ . 1 . 2]" 1
1010 1 74 LYS HA 1 75 ALA MB . . 5.500 3.779 3.743 3.807 . 0 0 "[ . 1 . 2]" 1
1011 1 74 LYS HB2 1 75 ALA H . . 2.900 2.123 1.997 2.513 . 0 0 "[ . 1 . 2]" 1
1012 1 74 LYS HB2 1 75 ALA HA . . 5.500 4.248 4.142 4.353 . 0 0 "[ . 1 . 2]" 1
1013 1 74 LYS HB3 1 75 ALA H . . 3.910 3.593 3.472 3.804 . 0 0 "[ . 1 . 2]" 1
1014 1 74 LYS QD 1 74 LYS QE . . 2.450 2.068 2.007 2.090 . 0 0 "[ . 1 . 2]" 1
1015 1 74 LYS QE 1 74 LYS HG2 . . 3.120 2.559 2.020 3.172 0.052 19 0 "[ . 1 . 2]" 1
1016 1 74 LYS QE 1 74 LYS QG . . 2.520 2.075 1.957 2.374 . 0 0 "[ . 1 . 2]" 1
1017 1 74 LYS QE 1 74 LYS HG3 . . 3.120 2.548 1.976 3.107 . 0 0 "[ . 1 . 2]" 1
1018 1 74 LYS QG 1 75 ALA H . . 4.070 3.273 3.090 3.642 . 0 0 "[ . 1 . 2]" 1
1019 1 74 LYS HG2 1 75 ALA H . . 4.670 4.251 3.785 4.618 . 0 0 "[ . 1 . 2]" 1
1020 1 74 LYS HG3 1 75 ALA H . . 4.670 3.413 3.276 3.848 . 0 0 "[ . 1 . 2]" 1
1021 1 75 ALA H 1 75 ALA MB . . 3.380 2.801 2.730 2.837 . 0 0 "[ . 1 . 2]" 1
1022 1 75 ALA H 1 76 TYR H . . 5.030 4.367 4.363 4.379 . 0 0 "[ . 1 . 2]" 1
1023 1 75 ALA HA 1 76 TYR H . . 2.810 2.573 2.509 2.596 . 0 0 "[ . 1 . 2]" 1
1024 1 75 ALA HA 1 76 TYR HA . . 5.190 4.529 4.489 4.538 . 0 0 "[ . 1 . 2]" 1
1025 1 75 ALA HA 1 76 TYR QD . . 4.770 3.269 3.171 3.479 . 0 0 "[ . 1 . 2]" 1
1026 1 75 ALA MB 1 76 TYR H . . 2.400 2.052 1.999 2.178 . 0 0 "[ . 1 . 2]" 1
1027 1 75 ALA MB 1 76 TYR QD . . 4.370 4.054 4.004 4.144 . 0 0 "[ . 1 . 2]" 1
1028 1 76 TYR H 1 76 TYR HB2 . . 3.140 3.063 3.037 3.095 . 0 0 "[ . 1 . 2]" 1
1029 1 76 TYR H 1 76 TYR HB3 . . 4.080 3.941 3.889 3.948 . 0 0 "[ . 1 . 2]" 1
1030 1 76 TYR H 1 76 TYR QD . . 3.380 2.750 2.561 2.774 . 0 0 "[ . 1 . 2]" 1
1031 1 76 TYR H 1 76 TYR QE . . 4.890 4.521 4.252 4.592 . 0 0 "[ . 1 . 2]" 1
1032 1 76 TYR HA 1 76 TYR QD . . 4.430 3.131 3.113 3.221 . 0 0 "[ . 1 . 2]" 1
1033 1 76 TYR HA 1 77 ILE H . . 3.450 2.149 2.148 2.150 . 0 0 "[ . 1 . 2]" 1
1034 1 76 TYR HA 1 77 ILE HG13 . . 5.120 3.577 3.531 3.602 . 0 0 "[ . 1 . 2]" 1
1035 1 76 TYR HB2 1 77 ILE H . . 4.030 3.969 3.894 4.002 . 0 0 "[ . 1 . 2]" 1
1036 1 76 TYR HB2 1 78 VAL QG . . 4.160 3.683 3.549 3.748 . 0 0 "[ . 1 . 2]" 1
1037 1 76 TYR HB3 1 77 ILE H . . 3.860 3.366 3.344 3.435 . 0 0 "[ . 1 . 2]" 1
1038 1 76 TYR HB3 1 78 VAL H . . 5.500 5.397 5.205 5.513 0.013 16 0 "[ . 1 . 2]" 1
1039 1 76 TYR QD 1 77 ILE H . . 4.720 4.681 4.635 4.802 0.082 16 0 "[ . 1 . 2]" 1
1040 1 76 TYR QD 1 78 VAL QG . . 5.500 4.980 4.833 5.039 . 0 0 "[ . 1 . 2]" 1
1041 1 77 ILE H 1 77 ILE HB . . 2.800 2.682 2.664 2.704 . 0 0 "[ . 1 . 2]" 1
1042 1 77 ILE H 1 77 ILE MD . . 3.980 3.892 3.843 3.936 . 0 0 "[ . 1 . 2]" 1
1043 1 77 ILE H 1 77 ILE HG12 . . 3.560 3.581 3.564 3.594 0.034 12 0 "[ . 1 . 2]" 1
1044 1 77 ILE H 1 77 ILE HG13 . . 3.540 2.456 2.423 2.497 . 0 0 "[ . 1 . 2]" 1
1045 1 77 ILE H 1 77 ILE MG . . 4.680 3.859 3.852 3.868 . 0 0 "[ . 1 . 2]" 1
1046 1 77 ILE H 1 78 VAL H . . 4.260 4.225 4.145 4.265 0.005 1 0 "[ . 1 . 2]" 1
1047 1 77 ILE HA 1 77 ILE MD . . 3.980 3.849 3.836 3.865 . 0 0 "[ . 1 . 2]" 1
1048 1 77 ILE HA 1 77 ILE HG12 . . 4.080 2.599 2.578 2.633 . 0 0 "[ . 1 . 2]" 1
1049 1 77 ILE HA 1 77 ILE HG13 . . 3.330 3.190 3.173 3.205 . 0 0 "[ . 1 . 2]" 1
1050 1 77 ILE HA 1 78 VAL H . . 2.970 2.153 2.144 2.168 . 0 0 "[ . 1 . 2]" 1
1051 1 77 ILE HA 1 78 VAL QG . . 5.500 3.533 3.484 3.623 . 0 0 "[ . 1 . 2]" 1
1052 1 77 ILE HB 1 77 ILE MD . . 2.550 2.384 2.357 2.461 . 0 0 "[ . 1 . 2]" 1
1053 1 77 ILE HB 1 78 VAL H . . 4.540 4.290 4.247 4.336 . 0 0 "[ . 1 . 2]" 1
1054 1 77 ILE HB 1 79 PHE QE . . 4.280 2.598 2.448 2.783 . 0 0 "[ . 1 . 2]" 1
1055 1 77 ILE MD 1 77 ILE MG . . 2.910 2.094 1.998 2.140 . 0 0 "[ . 1 . 2]" 1
1056 1 77 ILE MD 1 88 PHE QD . . 5.500 3.996 3.858 4.117 . 0 0 "[ . 1 . 2]" 1
1057 1 77 ILE MD 1 88 PHE QE . . 4.510 2.787 2.642 2.974 . 0 0 "[ . 1 . 2]" 1
1058 1 77 ILE MG 1 78 VAL H . . 3.910 2.893 2.777 3.063 . 0 0 "[ . 1 . 2]" 1
1059 1 77 ILE MG 1 79 PHE H . . 5.260 4.560 4.479 4.710 . 0 0 "[ . 1 . 2]" 1
1060 1 77 ILE MG 1 79 PHE QD . . 5.040 3.514 3.440 3.595 . 0 0 "[ . 1 . 2]" 1
1061 1 77 ILE MG 1 79 PHE QE . . 4.540 2.602 2.500 2.785 . 0 0 "[ . 1 . 2]" 1
1062 1 77 ILE MG 1 79 PHE HZ . . 5.140 2.662 2.445 2.958 . 0 0 "[ . 1 . 2]" 1
1063 1 78 VAL H 1 78 VAL HB . . 2.890 2.619 2.577 2.643 . 0 0 "[ . 1 . 2]" 1
1064 1 78 VAL H 1 78 VAL QG . . 2.400 2.069 2.007 2.120 . 0 0 "[ . 1 . 2]" 1
1065 1 78 VAL H 1 79 PHE H . . 5.500 4.491 4.478 4.511 . 0 0 "[ . 1 . 2]" 1
1066 1 78 VAL HA 1 78 VAL QG . . 2.400 2.098 2.062 2.113 . 0 0 "[ . 1 . 2]" 1
1067 1 78 VAL HA 1 79 PHE H . . 3.420 2.146 2.144 2.148 . 0 0 "[ . 1 . 2]" 1
1068 1 78 VAL HA 1 79 PHE QD . . 4.680 3.874 3.757 3.998 . 0 0 "[ . 1 . 2]" 1
1069 1 78 VAL HB 1 79 PHE H . . 5.170 4.125 4.101 4.167 . 0 0 "[ . 1 . 2]" 1
1070 1 78 VAL QG 1 79 PHE H . . 2.400 2.413 2.404 2.439 0.039 16 0 "[ . 1 . 2]" 1
1071 1 79 PHE H 1 79 PHE QB . . 3.630 2.381 2.332 2.406 . 0 0 "[ . 1 . 2]" 1
1072 1 79 PHE H 1 79 PHE QD . . 3.940 2.944 2.882 3.053 . 0 0 "[ . 1 . 2]" 1
1073 1 79 PHE H 1 79 PHE QE . . 5.440 5.016 4.964 5.092 . 0 0 "[ . 1 . 2]" 1
1074 1 79 PHE H 1 80 ALA H . . 4.450 4.468 4.452 4.482 0.032 20 0 "[ . 1 . 2]" 1
1075 1 79 PHE H 1 81 THR H . . 5.050 4.932 4.693 5.051 0.001 20 0 "[ . 1 . 2]" 1
1076 1 79 PHE H 1 85 ALA MB . . 4.670 3.756 3.560 3.939 . 0 0 "[ . 1 . 2]" 1
1077 1 79 PHE QB 1 80 ALA H . . 3.350 2.058 1.976 2.124 . 0 0 "[ . 1 . 2]" 1
1078 1 79 PHE QB 1 80 ALA MB . . 4.610 3.518 3.457 3.588 . 0 0 "[ . 1 . 2]" 1
1079 1 79 PHE QB 1 81 THR H . . 3.550 2.692 2.538 2.796 . 0 0 "[ . 1 . 2]" 1
1080 1 79 PHE QB 1 84 SER H . . 5.260 4.213 4.048 4.318 . 0 0 "[ . 1 . 2]" 1
1081 1 79 PHE QB 1 85 ALA H . . 3.390 2.896 2.812 3.002 . 0 0 "[ . 1 . 2]" 1
1082 1 79 PHE QB 1 85 ALA HA . . 4.250 3.127 3.053 3.184 . 0 0 "[ . 1 . 2]" 1
1083 1 79 PHE QB 1 85 ALA MB . . 4.160 2.457 2.300 2.589 . 0 0 "[ . 1 . 2]" 1
1084 1 79 PHE HB2 1 80 ALA H . . 4.000 3.468 3.420 3.510 . 0 0 "[ . 1 . 2]" 1
1085 1 79 PHE HB2 1 81 THR H . . 4.150 3.464 3.256 3.566 . 0 0 "[ . 1 . 2]" 1
1086 1 79 PHE HB2 1 85 ALA MB . . 4.910 2.503 2.336 2.637 . 0 0 "[ . 1 . 2]" 1
1087 1 79 PHE HB3 1 80 ALA H . . 4.000 2.073 1.988 2.142 . 0 0 "[ . 1 . 2]" 1
1088 1 79 PHE HB3 1 81 THR H . . 4.150 2.807 2.647 2.945 . 0 0 "[ . 1 . 2]" 1
1089 1 79 PHE HB3 1 85 ALA MB . . 4.910 3.582 3.448 3.813 . 0 0 "[ . 1 . 2]" 1
1090 1 79 PHE QD 1 80 ALA H . . 3.340 3.201 3.078 3.286 . 0 0 "[ . 1 . 2]" 1
1091 1 79 PHE QD 1 81 THR H . . 4.970 4.725 4.558 4.855 . 0 0 "[ . 1 . 2]" 1
1092 1 79 PHE QD 1 84 SER QB . . 4.090 2.793 2.661 2.909 . 0 0 "[ . 1 . 2]" 1
1093 1 79 PHE QD 1 85 ALA H . . 4.320 4.184 4.030 4.276 . 0 0 "[ . 1 . 2]" 1
1094 1 79 PHE QD 1 85 ALA HA . . 3.640 2.840 2.514 2.974 . 0 0 "[ . 1 . 2]" 1
1095 1 79 PHE QD 1 85 ALA MB . . 3.920 2.378 2.172 2.502 . 0 0 "[ . 1 . 2]" 1
1096 1 79 PHE QE 1 85 ALA HA . . 3.680 3.494 3.247 3.592 . 0 0 "[ . 1 . 2]" 1
1097 1 79 PHE QE 1 85 ALA MB . . 3.850 3.840 3.685 3.874 0.024 14 0 "[ . 1 . 2]" 1
1098 1 79 PHE QE 1 88 PHE QB . . 4.560 3.062 2.801 3.163 . 0 0 "[ . 1 . 2]" 1
1099 1 79 PHE HZ 1 88 PHE QD . . 4.940 3.116 2.724 3.290 . 0 0 "[ . 1 . 2]" 1
1100 1 80 ALA H 1 80 ALA MB . . 2.880 2.083 2.028 2.204 . 0 0 "[ . 1 . 2]" 1
1101 1 80 ALA H 1 81 THR H . . 3.410 2.685 2.559 2.805 . 0 0 "[ . 1 . 2]" 1
1102 1 80 ALA MB 1 81 THR H . . 3.240 2.641 2.491 2.836 . 0 0 "[ . 1 . 2]" 1
1103 1 80 ALA MB 1 81 THR MG . . 4.290 4.135 3.902 4.300 0.010 11 0 "[ . 1 . 2]" 1
1104 1 80 ALA MB 1 84 SER H . . 5.030 4.423 4.281 4.614 . 0 0 "[ . 1 . 2]" 1
1105 1 80 ALA MB 1 84 SER QB . . 4.950 3.094 2.930 3.255 . 0 0 "[ . 1 . 2]" 1
1106 1 81 THR H 1 81 THR HB . . 3.730 3.537 3.358 3.703 . 0 0 "[ . 1 . 2]" 1
1107 1 81 THR H 1 81 THR MG . . 4.150 3.983 3.918 4.036 . 0 0 "[ . 1 . 2]" 1
1108 1 81 THR H 1 82 GLN H . . 4.790 4.367 4.343 4.377 . 0 0 "[ . 1 . 2]" 1
1109 1 81 THR H 1 83 GLU H . . 4.730 4.503 4.403 4.638 . 0 0 "[ . 1 . 2]" 1
1110 1 81 THR H 1 84 SER QB . . 3.240 2.631 2.462 2.770 . 0 0 "[ . 1 . 2]" 1
1111 1 81 THR H 1 85 ALA H . . 4.550 3.564 3.478 3.635 . 0 0 "[ . 1 . 2]" 1
1112 1 81 THR HA 1 81 THR MG . . 3.250 2.067 1.966 2.146 . 0 0 "[ . 1 . 2]" 1
1113 1 81 THR HA 1 82 GLN H . . 2.490 2.453 2.406 2.500 0.010 10 0 "[ . 1 . 2]" 1
1114 1 81 THR HB 1 82 GLN H . . 3.040 2.735 2.639 3.037 . 0 0 "[ . 1 . 2]" 1
1115 1 81 THR HB 1 83 GLU H . . 3.410 2.224 2.186 2.350 . 0 0 "[ . 1 . 2]" 1
1116 1 81 THR HB 1 84 SER H . . 3.790 3.479 3.274 3.540 . 0 0 "[ . 1 . 2]" 1
1117 1 81 THR MG 1 82 GLN H . . 2.550 2.251 1.962 2.553 0.003 6 0 "[ . 1 . 2]" 1
1118 1 81 THR MG 1 83 GLU H . . 4.650 3.481 3.121 3.699 . 0 0 "[ . 1 . 2]" 1
1119 1 81 THR MG 1 84 SER H . . 4.920 4.902 4.700 4.937 0.017 6 0 "[ . 1 . 2]" 1
1120 1 82 GLN H 1 82 GLN HB2 . . 2.550 2.148 2.132 2.224 . 0 0 "[ . 1 . 2]" 1
1121 1 82 GLN H 1 82 GLN HB3 . . 3.140 2.997 2.878 3.027 . 0 0 "[ . 1 . 2]" 1
1122 1 82 GLN H 1 82 GLN QG . . 4.380 3.725 3.698 3.823 . 0 0 "[ . 1 . 2]" 1
1123 1 82 GLN H 1 84 SER H . . 4.890 4.688 4.639 4.722 . 0 0 "[ . 1 . 2]" 1
1124 1 82 GLN H 1 85 ALA MB . . 4.650 4.267 4.221 4.315 . 0 0 "[ . 1 . 2]" 1
1125 1 82 GLN HA 1 82 GLN HB2 . . 2.680 2.674 2.608 2.690 0.010 7 0 "[ . 1 . 2]" 1
1126 1 82 GLN HA 1 82 GLN QG . . 2.400 2.105 2.080 2.187 . 0 0 "[ . 1 . 2]" 1
1127 1 82 GLN HA 1 85 ALA H . . 4.110 3.457 3.405 3.533 . 0 0 "[ . 1 . 2]" 1
1128 1 82 GLN HA 1 85 ALA MB . . 2.660 2.358 2.259 2.452 . 0 0 "[ . 1 . 2]" 1
1129 1 82 GLN HB2 1 82 GLN QG . . 2.730 2.133 2.128 2.162 . 0 0 "[ . 1 . 2]" 1
1130 1 82 GLN HB3 1 83 GLU H . . 3.090 2.960 2.901 3.006 . 0 0 "[ . 1 . 2]" 1
1131 1 82 GLN QG 1 83 GLU H . . 4.900 4.524 4.410 4.586 . 0 0 "[ . 1 . 2]" 1
1132 1 82 GLN QG 1 85 ALA H . . 5.500 5.062 4.893 5.235 . 0 0 "[ . 1 . 2]" 1
1133 1 82 GLN QG 1 85 ALA MB . . 3.760 3.264 3.158 3.382 . 0 0 "[ . 1 . 2]" 1
1134 1 82 GLN QG 1 106 PHE QD . . 2.900 2.890 2.622 2.908 0.008 7 0 "[ . 1 . 2]" 1
1135 1 83 GLU H 1 83 GLU HA . . 2.850 2.787 2.776 2.796 . 0 0 "[ . 1 . 2]" 1
1136 1 83 GLU H 1 83 GLU HB2 . . 2.900 2.218 2.122 2.448 . 0 0 "[ . 1 . 2]" 1
1137 1 83 GLU H 1 83 GLU QG . . 3.520 2.775 2.246 3.018 . 0 0 "[ . 1 . 2]" 1
1138 1 83 GLU H 1 84 SER H . . 3.860 2.838 2.800 2.878 . 0 0 "[ . 1 . 2]" 1
1139 1 83 GLU H 1 85 ALA H . . 4.140 4.143 4.107 4.154 0.014 14 0 "[ . 1 . 2]" 1
1140 1 83 GLU H 1 86 GLN H . . 5.010 4.759 4.716 4.800 . 0 0 "[ . 1 . 2]" 1
1141 1 83 GLU HA 1 83 GLU HB3 . . 2.750 2.672 2.518 2.748 . 0 0 "[ . 1 . 2]" 1
1142 1 83 GLU HA 1 83 GLU QG . . 2.510 2.357 2.177 2.478 . 0 0 "[ . 1 . 2]" 1
1143 1 83 GLU HA 1 86 GLN HB3 . . 3.520 3.444 3.339 3.509 . 0 0 "[ . 1 . 2]" 1
1144 1 83 GLU HA 1 87 ALA H . . 5.300 4.548 4.428 4.671 . 0 0 "[ . 1 . 2]" 1
1145 1 83 GLU HB2 1 83 GLU QG . . 2.630 2.277 2.156 2.450 . 0 0 "[ . 1 . 2]" 1
1146 1 83 GLU HB2 1 84 SER H . . 3.740 2.632 2.382 2.771 . 0 0 "[ . 1 . 2]" 1
1147 1 83 GLU HB3 1 83 GLU QG . . 2.420 2.355 2.230 2.410 . 0 0 "[ . 1 . 2]" 1
1148 1 83 GLU HB3 1 84 SER H . . 3.680 3.036 2.850 3.329 . 0 0 "[ . 1 . 2]" 1
1149 1 83 GLU HB3 1 84 SER HA . . 4.970 4.012 3.903 4.254 . 0 0 "[ . 1 . 2]" 1
1150 1 83 GLU QG 1 84 SER H . . 4.820 4.256 4.029 4.340 . 0 0 "[ . 1 . 2]" 1
1151 1 83 GLU HG2 1 84 SER H . . 5.500 4.863 4.740 4.987 . 0 0 "[ . 1 . 2]" 1
1152 1 83 GLU HG3 1 84 SER H . . 5.500 4.725 4.305 4.953 . 0 0 "[ . 1 . 2]" 1
1153 1 84 SER H 1 84 SER HA . . 2.880 2.855 2.848 2.856 . 0 0 "[ . 1 . 2]" 1
1154 1 84 SER H 1 84 SER HB2 . . 3.830 2.124 2.097 2.143 . 0 0 "[ . 1 . 2]" 1
1155 1 84 SER H 1 84 SER QB . . 3.310 2.104 2.076 2.124 . 0 0 "[ . 1 . 2]" 1
1156 1 84 SER H 1 84 SER HB3 . . 3.830 3.415 3.339 3.447 . 0 0 "[ . 1 . 2]" 1
1157 1 84 SER H 1 85 ALA H . . 3.720 2.572 2.554 2.591 . 0 0 "[ . 1 . 2]" 1
1158 1 84 SER H 1 85 ALA MB . . 5.270 4.105 4.090 4.129 . 0 0 "[ . 1 . 2]" 1
1159 1 84 SER H 1 86 GLN H . . 4.380 4.359 4.208 4.393 0.013 1 0 "[ . 1 . 2]" 1
1160 1 84 SER HA 1 85 ALA HA . . 5.300 4.856 4.851 4.863 . 0 0 "[ . 1 . 2]" 1
1161 1 84 SER HA 1 86 GLN HB3 . . 5.500 5.337 5.127 5.458 . 0 0 "[ . 1 . 2]" 1
1162 1 84 SER HA 1 87 ALA H . . 3.810 3.483 3.398 3.547 . 0 0 "[ . 1 . 2]" 1
1163 1 84 SER HA 1 87 ALA MB . . 3.630 2.557 2.346 2.740 . 0 0 "[ . 1 . 2]" 1
1164 1 84 SER QB 1 85 ALA H . . 3.060 2.635 2.613 2.676 . 0 0 "[ . 1 . 2]" 1
1165 1 84 SER QB 1 87 ALA MB . . 5.340 4.104 4.001 4.231 . 0 0 "[ . 1 . 2]" 1
1166 1 84 SER HB2 1 85 ALA H . . 3.710 2.875 2.811 2.987 . 0 0 "[ . 1 . 2]" 1
1167 1 84 SER HB3 1 85 ALA H . . 3.710 3.065 2.947 3.126 . 0 0 "[ . 1 . 2]" 1
1168 1 85 ALA H 1 85 ALA MB . . 2.400 2.029 2.025 2.034 . 0 0 "[ . 1 . 2]" 1
1169 1 85 ALA H 1 86 GLN H . . 2.970 2.926 2.852 2.950 . 0 0 "[ . 1 . 2]" 1
1170 1 85 ALA H 1 86 GLN HB2 . . 5.500 5.446 5.322 5.495 . 0 0 "[ . 1 . 2]" 1
1171 1 85 ALA H 1 86 GLN HB3 . . 5.000 4.952 4.910 5.000 . 0 0 "[ . 1 . 2]" 1
1172 1 85 ALA H 1 87 ALA H . . 4.930 4.135 4.024 4.304 . 0 0 "[ . 1 . 2]" 1
1173 1 85 ALA H 1 87 ALA MB . . 5.500 4.690 4.531 4.872 . 0 0 "[ . 1 . 2]" 1
1174 1 85 ALA HA 1 86 GLN HA . . 5.500 4.808 4.793 4.828 . 0 0 "[ . 1 . 2]" 1
1175 1 85 ALA HA 1 87 ALA H . . 4.560 4.344 4.211 4.542 . 0 0 "[ . 1 . 2]" 1
1176 1 85 ALA HA 1 88 PHE H . . 4.740 3.568 3.468 3.653 . 0 0 "[ . 1 . 2]" 1
1177 1 85 ALA HA 1 89 VAL MG2 . . 4.830 3.575 3.446 3.710 . 0 0 "[ . 1 . 2]" 1
1178 1 85 ALA MB 1 86 GLN H . . 4.110 2.406 2.337 2.593 . 0 0 "[ . 1 . 2]" 1
1179 1 85 ALA MB 1 86 GLN HB2 . . 4.240 4.013 3.942 4.152 . 0 0 "[ . 1 . 2]" 1
1180 1 85 ALA MB 1 88 PHE H . . 5.200 4.658 4.558 4.722 . 0 0 "[ . 1 . 2]" 1
1181 1 85 ALA MB 1 89 VAL H . . 5.500 4.545 4.477 4.660 . 0 0 "[ . 1 . 2]" 1
1182 1 85 ALA MB 1 106 PHE QD . . 5.140 2.861 2.545 4.261 . 0 0 "[ . 1 . 2]" 1
1183 1 85 ALA MB 1 106 PHE HZ . . 5.300 4.586 3.982 4.774 . 0 0 "[ . 1 . 2]" 1
1184 1 86 GLN H 1 86 GLN HB2 . . 2.710 2.605 2.566 2.650 . 0 0 "[ . 1 . 2]" 1
1185 1 86 GLN H 1 86 GLN HB3 . . 2.590 2.444 2.401 2.480 . 0 0 "[ . 1 . 2]" 1
1186 1 86 GLN H 1 86 GLN QG . . 4.200 3.974 3.943 4.021 . 0 0 "[ . 1 . 2]" 1
1187 1 86 GLN H 1 87 ALA H . . 4.040 2.754 2.695 2.819 . 0 0 "[ . 1 . 2]" 1
1188 1 86 GLN H 1 87 ALA MB . . 5.500 4.384 4.299 4.452 . 0 0 "[ . 1 . 2]" 1
1189 1 86 GLN H 1 88 PHE H . . 5.030 4.398 4.127 4.534 . 0 0 "[ . 1 . 2]" 1
1190 1 86 GLN H 1 89 VAL H . . 5.500 4.692 4.650 4.738 . 0 0 "[ . 1 . 2]" 1
1191 1 86 GLN H 1 89 VAL MG2 . . 5.300 4.022 3.859 4.245 . 0 0 "[ . 1 . 2]" 1
1192 1 86 GLN H 1 106 PHE HZ . . 5.500 4.096 3.615 4.263 . 0 0 "[ . 1 . 2]" 1
1193 1 86 GLN HA 1 86 GLN HB2 . . 2.970 2.400 2.387 2.424 . 0 0 "[ . 1 . 2]" 1
1194 1 86 GLN HA 1 86 GLN QG . . 2.680 2.492 2.441 2.527 . 0 0 "[ . 1 . 2]" 1
1195 1 86 GLN HA 1 89 VAL H . . 4.670 3.425 3.349 3.489 . 0 0 "[ . 1 . 2]" 1
1196 1 86 GLN HA 1 89 VAL HB . . 2.650 2.473 2.344 2.644 . 0 0 "[ . 1 . 2]" 1
1197 1 86 GLN HA 1 89 VAL MG1 . . 4.840 3.821 3.706 4.021 . 0 0 "[ . 1 . 2]" 1
1198 1 86 GLN HA 1 89 VAL MG2 . . 4.250 2.673 2.355 3.029 . 0 0 "[ . 1 . 2]" 1
1199 1 86 GLN HA 1 90 GLU H . . 4.920 3.925 3.575 4.059 . 0 0 "[ . 1 . 2]" 1
1200 1 86 GLN HA 1 106 PHE QE . . 4.670 2.341 2.204 2.769 . 0 0 "[ . 1 . 2]" 1
1201 1 86 GLN HA 1 106 PHE HZ . . 2.550 2.131 1.999 2.275 . 0 0 "[ . 1 . 2]" 1
1202 1 86 GLN HB2 1 86 GLN QG . . 2.730 2.336 2.129 2.514 . 0 0 "[ . 1 . 2]" 1
1203 1 86 GLN HB2 1 87 ALA H . . 4.180 3.992 3.875 4.073 . 0 0 "[ . 1 . 2]" 1
1204 1 86 GLN HB2 1 106 PHE HZ . . 3.710 2.238 2.039 2.375 . 0 0 "[ . 1 . 2]" 1
1205 1 86 GLN HB3 1 87 ALA H . . 3.870 2.705 2.526 2.832 . 0 0 "[ . 1 . 2]" 1
1206 1 86 GLN HB3 1 87 ALA MB . . 5.100 4.085 3.979 4.138 . 0 0 "[ . 1 . 2]" 1
1207 1 86 GLN HB3 1 106 PHE HZ . . 3.770 3.687 3.598 3.790 0.020 12 0 "[ . 1 . 2]" 1
1208 1 86 GLN QG 1 87 ALA H . . 5.150 3.658 3.351 4.097 . 0 0 "[ . 1 . 2]" 1
1209 1 86 GLN QG 1 106 PHE HZ . . 4.830 2.260 2.011 2.856 . 0 0 "[ . 1 . 2]" 1
1210 1 87 ALA H 1 87 ALA HA . . 2.850 2.808 2.786 2.824 . 0 0 "[ . 1 . 2]" 1
1211 1 87 ALA H 1 87 ALA MB . . 2.480 2.176 2.045 2.236 . 0 0 "[ . 1 . 2]" 1
1212 1 87 ALA H 1 88 PHE H . . 3.690 2.736 2.654 2.828 . 0 0 "[ . 1 . 2]" 1
1213 1 87 ALA H 1 89 VAL HB . . 5.500 5.027 4.884 5.238 . 0 0 "[ . 1 . 2]" 1
1214 1 87 ALA H 1 89 VAL MG2 . . 5.500 4.775 4.661 5.011 . 0 0 "[ . 1 . 2]" 1
1215 1 87 ALA H 1 90 GLU QB . . 5.500 5.496 5.239 5.526 0.026 14 0 "[ . 1 . 2]" 1
1216 1 87 ALA HA 1 90 GLU H . . 5.490 3.726 3.655 3.822 . 0 0 "[ . 1 . 2]" 1
1217 1 87 ALA HA 1 90 GLU QB . . 4.190 3.816 3.376 4.146 . 0 0 "[ . 1 . 2]" 1
1218 1 87 ALA HA 1 90 GLU HG2 . . 4.510 3.107 2.140 4.306 . 0 0 "[ . 1 . 2]" 1
1219 1 87 ALA HA 1 90 GLU QG . . 3.810 2.843 2.118 3.823 0.013 2 0 "[ . 1 . 2]" 1
1220 1 87 ALA HA 1 90 GLU HG3 . . 4.510 3.447 2.655 4.508 . 0 0 "[ . 1 . 2]" 1
1221 1 87 ALA MB 1 88 PHE H . . 2.720 2.476 2.345 2.664 . 0 0 "[ . 1 . 2]" 1
1222 1 87 ALA MB 1 88 PHE HA . . 3.880 3.789 3.695 3.868 . 0 0 "[ . 1 . 2]" 1
1223 1 87 ALA MB 1 89 VAL MG2 . . 5.500 5.368 5.270 5.503 0.003 7 0 "[ . 1 . 2]" 1
1224 1 87 ALA MB 1 90 GLU H . . 5.210 4.762 4.715 4.812 . 0 0 "[ . 1 . 2]" 1
1225 1 88 PHE H 1 88 PHE HA . . 2.900 2.844 2.824 2.862 . 0 0 "[ . 1 . 2]" 1
1226 1 88 PHE H 1 88 PHE HB2 . . 3.640 2.740 2.611 2.809 . 0 0 "[ . 1 . 2]" 1
1227 1 88 PHE H 1 88 PHE QB . . 2.960 2.231 2.218 2.261 . 0 0 "[ . 1 . 2]" 1
1228 1 88 PHE H 1 88 PHE HB3 . . 3.640 2.364 2.323 2.476 . 0 0 "[ . 1 . 2]" 1
1229 1 88 PHE H 1 91 ALA H . . 5.500 4.530 4.450 4.588 . 0 0 "[ . 1 . 2]" 1
1230 1 88 PHE HA 1 88 PHE QD . . 3.200 3.020 2.983 3.075 . 0 0 "[ . 1 . 2]" 1
1231 1 88 PHE HA 1 91 ALA H . . 3.500 3.296 3.144 3.359 . 0 0 "[ . 1 . 2]" 1
1232 1 88 PHE HA 1 91 ALA MB . . 3.150 2.144 1.975 2.292 . 0 0 "[ . 1 . 2]" 1
1233 1 88 PHE HA 1 92 PHE H . . 4.180 4.169 4.107 4.259 0.079 7 0 "[ . 1 . 2]" 1
1234 1 88 PHE HA 1 92 PHE QD . . 4.430 3.128 2.976 3.579 . 0 0 "[ . 1 . 2]" 1
1235 1 88 PHE HA 1 92 PHE QE . . 4.530 3.914 3.752 4.410 . 0 0 "[ . 1 . 2]" 1
1236 1 88 PHE QB 1 89 VAL H . . 3.900 2.742 2.467 2.855 . 0 0 "[ . 1 . 2]" 1
1237 1 88 PHE QD 1 89 VAL H . . 3.920 3.240 3.116 3.418 . 0 0 "[ . 1 . 2]" 1
1238 1 88 PHE QD 1 89 VAL HA . . 4.840 3.013 2.781 3.127 . 0 0 "[ . 1 . 2]" 1
1239 1 88 PHE QD 1 89 VAL MG2 . . 3.660 2.578 2.390 2.844 . 0 0 "[ . 1 . 2]" 1
1240 1 88 PHE QD 1 90 GLU H . . 5.500 5.294 5.036 5.429 . 0 0 "[ . 1 . 2]" 1
1241 1 88 PHE QD 1 91 ALA H . . 5.260 5.231 4.959 5.269 0.009 12 0 "[ . 1 . 2]" 1
1242 1 88 PHE QD 1 92 PHE QE . . 4.080 3.404 3.128 4.126 0.046 7 0 "[ . 1 . 2]" 1
1243 1 88 PHE QD 1 104 ILE MD . . 5.500 4.932 4.785 4.972 . 0 0 "[ . 1 . 2]" 1
1244 1 88 PHE QE 1 92 PHE QD . . 4.550 3.945 3.807 4.194 . 0 0 "[ . 1 . 2]" 1
1245 1 88 PHE QE 1 104 ILE MD . . 4.060 4.073 4.015 4.090 0.030 1 0 "[ . 1 . 2]" 1
1246 1 88 PHE QE 1 104 ILE MG . . 2.960 2.165 1.932 2.311 . 0 0 "[ . 1 . 2]" 1
1247 1 89 VAL H 1 89 VAL HB . . 3.840 2.503 2.465 2.548 . 0 0 "[ . 1 . 2]" 1
1248 1 89 VAL H 1 89 VAL MG1 . . 4.790 3.761 3.756 3.763 . 0 0 "[ . 1 . 2]" 1
1249 1 89 VAL H 1 89 VAL MG2 . . 3.330 2.240 2.076 2.369 . 0 0 "[ . 1 . 2]" 1
1250 1 89 VAL H 1 90 GLU H . . 3.250 2.655 2.596 2.730 . 0 0 "[ . 1 . 2]" 1
1251 1 89 VAL H 1 91 ALA H . . 5.500 3.783 3.698 3.886 . 0 0 "[ . 1 . 2]" 1
1252 1 89 VAL HA 1 89 VAL MG1 . . 3.320 2.338 2.324 2.363 . 0 0 "[ . 1 . 2]" 1
1253 1 89 VAL HA 1 89 VAL MG2 . . 3.360 2.369 2.303 2.409 . 0 0 "[ . 1 . 2]" 1
1254 1 89 VAL HA 1 91 ALA H . . 4.710 4.264 4.224 4.336 . 0 0 "[ . 1 . 2]" 1
1255 1 89 VAL HA 1 92 PHE H . . 5.210 3.780 3.688 3.883 . 0 0 "[ . 1 . 2]" 1
1256 1 89 VAL HA 1 93 GLN H . . 4.580 4.442 4.304 4.564 . 0 0 "[ . 1 . 2]" 1
1257 1 89 VAL HA 1 104 ILE HB . . 3.510 2.288 2.068 2.437 . 0 0 "[ . 1 . 2]" 1
1258 1 89 VAL HA 1 104 ILE MD . . 4.240 3.848 3.712 3.977 . 0 0 "[ . 1 . 2]" 1
1259 1 89 VAL HA 1 104 ILE HG13 . . 3.980 2.377 2.301 2.580 . 0 0 "[ . 1 . 2]" 1
1260 1 89 VAL HA 1 104 ILE MG . . 3.330 3.035 2.680 3.182 . 0 0 "[ . 1 . 2]" 1
1261 1 89 VAL HB 1 90 GLU H . . 2.890 2.603 2.517 2.739 . 0 0 "[ . 1 . 2]" 1
1262 1 89 VAL MG1 1 90 GLU H . . 3.870 3.441 3.372 3.573 . 0 0 "[ . 1 . 2]" 1
1263 1 89 VAL MG1 1 90 GLU HA . . 5.000 3.562 3.520 3.647 . 0 0 "[ . 1 . 2]" 1
1264 1 89 VAL MG1 1 93 GLN H . . 4.530 4.452 4.325 4.512 . 0 0 "[ . 1 . 2]" 1
1265 1 89 VAL MG1 1 93 GLN HA . . 5.470 3.711 3.557 3.821 . 0 0 "[ . 1 . 2]" 1
1266 1 89 VAL MG1 1 93 GLN HB2 . . 5.140 3.336 3.273 3.397 . 0 0 "[ . 1 . 2]" 1
1267 1 89 VAL MG1 1 104 ILE HA . . 5.500 3.973 3.859 4.098 . 0 0 "[ . 1 . 2]" 1
1268 1 89 VAL MG1 1 104 ILE HB . . 4.680 2.211 2.013 2.415 . 0 0 "[ . 1 . 2]" 1
1269 1 89 VAL MG1 1 104 ILE MD . . 4.080 3.876 3.720 4.025 . 0 0 "[ . 1 . 2]" 1
1270 1 89 VAL MG1 1 104 ILE HG13 . . 3.720 2.679 2.429 2.889 . 0 0 "[ . 1 . 2]" 1
1271 1 89 VAL MG1 1 105 THR HA . . 3.430 2.269 2.075 3.124 . 0 0 "[ . 1 . 2]" 1
1272 1 89 VAL MG1 1 106 PHE QD . . 5.500 4.039 2.886 4.224 . 0 0 "[ . 1 . 2]" 1
1273 1 89 VAL MG1 1 106 PHE QE . . 5.040 3.478 2.295 3.755 . 0 0 "[ . 1 . 2]" 1
1274 1 89 VAL MG1 1 106 PHE HZ . . 5.290 3.946 3.645 4.188 . 0 0 "[ . 1 . 2]" 1
1275 1 89 VAL MG2 1 90 GLU H . . 4.360 3.863 3.826 3.897 . 0 0 "[ . 1 . 2]" 1
1276 1 89 VAL MG2 1 104 ILE HA . . 5.500 4.276 4.124 4.392 . 0 0 "[ . 1 . 2]" 1
1277 1 89 VAL MG2 1 104 ILE HB . . 2.740 2.624 2.390 2.743 0.003 4 0 "[ . 1 . 2]" 1
1278 1 89 VAL MG2 1 105 THR MG . . 5.500 4.684 4.516 5.236 . 0 0 "[ . 1 . 2]" 1
1279 1 89 VAL MG2 1 106 PHE QD . . 5.030 3.589 2.952 3.846 . 0 0 "[ . 1 . 2]" 1
1280 1 89 VAL MG2 1 106 PHE QE . . 4.790 3.116 2.231 3.423 . 0 0 "[ . 1 . 2]" 1
1281 1 89 VAL MG2 1 106 PHE HZ . . 4.730 3.707 3.485 3.973 . 0 0 "[ . 1 . 2]" 1
1282 1 90 GLU H 1 90 GLU QB . . 3.050 2.481 2.413 2.535 . 0 0 "[ . 1 . 2]" 1
1283 1 90 GLU H 1 90 GLU HG2 . . 4.100 2.695 2.132 3.370 . 0 0 "[ . 1 . 2]" 1
1284 1 90 GLU H 1 90 GLU QG . . 3.290 2.277 2.115 2.434 . 0 0 "[ . 1 . 2]" 1
1285 1 90 GLU H 1 90 GLU HG3 . . 4.100 3.032 2.448 3.634 . 0 0 "[ . 1 . 2]" 1
1286 1 90 GLU H 1 91 ALA MB . . 4.300 4.044 3.910 4.075 . 0 0 "[ . 1 . 2]" 1
1287 1 90 GLU H 1 106 PHE HZ . . 5.500 5.230 4.847 5.505 0.005 18 0 "[ . 1 . 2]" 1
1288 1 90 GLU HA 1 90 GLU QB . . 2.400 2.225 2.171 2.328 . 0 0 "[ . 1 . 2]" 1
1289 1 90 GLU HA 1 92 PHE H . . 4.100 3.909 3.838 4.019 . 0 0 "[ . 1 . 2]" 1
1290 1 90 GLU HA 1 93 GLN H . . 4.000 3.097 3.028 3.177 . 0 0 "[ . 1 . 2]" 1
1291 1 90 GLU HA 1 93 GLN HB2 . . 3.600 2.228 2.130 2.316 . 0 0 "[ . 1 . 2]" 1
1292 1 90 GLU HA 1 93 GLN HB3 . . 2.850 2.764 2.628 2.854 0.004 19 0 "[ . 1 . 2]" 1
1293 1 90 GLU QB 1 91 ALA H . . 3.560 3.376 2.963 3.639 0.079 7 0 "[ . 1 . 2]" 1
1294 1 90 GLU QB 1 91 ALA HA . . 4.640 4.357 3.963 4.591 . 0 0 "[ . 1 . 2]" 1
1295 1 90 GLU QB 1 93 GLN H . . 5.390 4.624 4.549 4.704 . 0 0 "[ . 1 . 2]" 1
1296 1 90 GLU QG 1 91 ALA H . . 4.590 2.880 2.174 4.044 . 0 0 "[ . 1 . 2]" 1
1297 1 90 GLU QG 1 91 ALA MB . . 5.260 3.818 3.060 5.172 . 0 0 "[ . 1 . 2]" 1
1298 1 91 ALA H 1 91 ALA MB . . 3.310 2.204 2.101 2.250 . 0 0 "[ . 1 . 2]" 1
1299 1 91 ALA H 1 92 PHE HA . . 5.250 5.133 5.123 5.162 . 0 0 "[ . 1 . 2]" 1
1300 1 91 ALA H 1 92 PHE HB2 . . 4.670 4.651 4.591 4.701 0.031 7 0 "[ . 1 . 2]" 1
1301 1 91 ALA H 1 92 PHE QD . . 4.750 3.714 3.692 3.811 . 0 0 "[ . 1 . 2]" 1
1302 1 91 ALA H 1 92 PHE QE . . 5.500 5.510 5.498 5.632 0.132 7 0 "[ . 1 . 2]" 1
1303 1 91 ALA H 1 93 GLN H . . 4.800 3.677 3.650 3.732 . 0 0 "[ . 1 . 2]" 1
1304 1 91 ALA MB 1 92 PHE H . . 3.440 2.928 2.862 3.004 . 0 0 "[ . 1 . 2]" 1
1305 1 91 ALA MB 1 92 PHE HA . . 5.500 4.127 4.085 4.159 . 0 0 "[ . 1 . 2]" 1
1306 1 91 ALA MB 1 92 PHE QD . . 4.100 2.148 2.046 2.285 . 0 0 "[ . 1 . 2]" 1
1307 1 91 ALA MB 1 92 PHE QE . . 3.030 2.793 2.665 2.985 . 0 0 "[ . 1 . 2]" 1
1308 1 91 ALA MB 1 93 GLN H . . 4.610 4.404 4.372 4.450 . 0 0 "[ . 1 . 2]" 1
1309 1 92 PHE H 1 92 PHE HB2 . . 2.700 2.556 2.494 2.613 . 0 0 "[ . 1 . 2]" 1
1310 1 92 PHE H 1 92 PHE HB3 . . 3.860 3.724 3.686 3.758 . 0 0 "[ . 1 . 2]" 1
1311 1 92 PHE H 1 92 PHE QD . . 4.060 2.678 2.625 2.752 . 0 0 "[ . 1 . 2]" 1
1312 1 92 PHE H 1 93 GLN H . . 3.650 2.029 1.994 2.115 . 0 0 "[ . 1 . 2]" 1
1313 1 92 PHE H 1 93 GLN HB2 . . 4.530 4.279 4.239 4.347 . 0 0 "[ . 1 . 2]" 1
1314 1 92 PHE H 1 95 TYR HB3 . . 5.500 5.473 5.238 5.518 0.018 20 0 "[ . 1 . 2]" 1
1315 1 92 PHE H 1 104 ILE MD . . 4.520 4.032 3.871 4.141 . 0 0 "[ . 1 . 2]" 1
1316 1 92 PHE HA 1 92 PHE QD . . 3.940 3.104 3.072 3.122 . 0 0 "[ . 1 . 2]" 1
1317 1 92 PHE HA 1 95 TYR H . . 4.700 3.840 3.492 4.034 . 0 0 "[ . 1 . 2]" 1
1318 1 92 PHE HA 1 95 TYR HB2 . . 3.010 2.731 2.559 2.989 . 0 0 "[ . 1 . 2]" 1
1319 1 92 PHE HA 1 95 TYR HB3 . . 3.550 2.678 2.348 2.775 . 0 0 "[ . 1 . 2]" 1
1320 1 92 PHE HA 1 95 TYR QD . . 5.500 4.300 4.145 4.381 . 0 0 "[ . 1 . 2]" 1
1321 1 92 PHE HA 1 102 LEU QD . . 3.930 3.752 3.484 3.937 0.007 16 0 "[ . 1 . 2]" 1
1322 1 92 PHE HB2 1 93 GLN H . . 4.880 3.710 3.573 3.792 . 0 0 "[ . 1 . 2]" 1
1323 1 92 PHE HB2 1 93 GLN HA . . 5.500 4.669 4.625 4.698 . 0 0 "[ . 1 . 2]" 1
1324 1 92 PHE HB2 1 102 LEU QD . . 4.800 3.398 3.164 3.516 . 0 0 "[ . 1 . 2]" 1
1325 1 92 PHE HB2 1 104 ILE MD . . 3.970 2.686 2.407 2.837 . 0 0 "[ . 1 . 2]" 1
1326 1 92 PHE HB2 1 104 ILE MG . . 4.440 3.177 2.811 3.310 . 0 0 "[ . 1 . 2]" 1
1327 1 92 PHE HB3 1 93 GLN H . . 4.250 4.258 4.173 4.307 0.057 20 0 "[ . 1 . 2]" 1
1328 1 92 PHE HB3 1 102 LEU QD . . 2.600 2.097 1.875 2.262 . 0 0 "[ . 1 . 2]" 1
1329 1 92 PHE HB3 1 104 ILE MD . . 3.140 2.478 2.047 2.687 . 0 0 "[ . 1 . 2]" 1
1330 1 92 PHE QD 1 93 GLN H . . 4.880 4.464 4.426 4.542 . 0 0 "[ . 1 . 2]" 1
1331 1 92 PHE QD 1 95 TYR H . . 5.190 5.079 4.761 5.190 0.000 1 0 "[ . 1 . 2]" 1
1332 1 92 PHE QD 1 95 TYR HB2 . . 4.530 4.131 3.815 4.535 0.005 7 0 "[ . 1 . 2]" 1
1333 1 92 PHE QD 1 95 TYR HB3 . . 4.740 2.957 2.599 3.204 . 0 0 "[ . 1 . 2]" 1
1334 1 92 PHE QD 1 95 TYR QD . . 3.790 3.078 2.760 3.186 . 0 0 "[ . 1 . 2]" 1
1335 1 92 PHE QD 1 102 LEU QD . . 4.490 2.582 2.137 2.749 . 0 0 "[ . 1 . 2]" 1
1336 1 92 PHE QD 1 104 ILE MD . . 4.850 4.094 3.765 4.274 . 0 0 "[ . 1 . 2]" 1
1337 1 93 GLN H 1 93 GLN HB2 . . 3.600 2.673 2.665 2.681 . 0 0 "[ . 1 . 2]" 1
1338 1 93 GLN H 1 93 GLN HB3 . . 2.780 2.397 2.386 2.407 . 0 0 "[ . 1 . 2]" 1
1339 1 93 GLN H 1 93 GLN HG2 . . 5.500 4.446 4.354 4.603 . 0 0 "[ . 1 . 2]" 1
1340 1 93 GLN H 1 93 GLN QG . . 4.750 3.962 3.947 3.987 . 0 0 "[ . 1 . 2]" 1
1341 1 93 GLN H 1 93 GLN HG3 . . 5.500 4.462 4.360 4.516 . 0 0 "[ . 1 . 2]" 1
1342 1 93 GLN H 1 94 GLY H . . 4.780 2.823 2.810 2.840 . 0 0 "[ . 1 . 2]" 1
1343 1 93 GLN H 1 104 ILE MD . . 3.750 3.689 3.589 3.760 0.010 18 0 "[ . 1 . 2]" 1
1344 1 93 GLN H 1 104 ILE HG12 . . 5.500 4.270 4.104 4.436 . 0 0 "[ . 1 . 2]" 1
1345 1 93 GLN H 1 104 ILE HG13 . . 3.550 3.392 3.192 3.489 . 0 0 "[ . 1 . 2]" 1
1346 1 93 GLN HA 1 93 GLN QG . . 3.590 2.793 2.601 3.146 . 0 0 "[ . 1 . 2]" 1
1347 1 93 GLN HA 1 94 GLY H . . 3.570 3.506 3.500 3.510 . 0 0 "[ . 1 . 2]" 1
1348 1 93 GLN HA 1 103 VAL HA . . 4.620 4.494 4.380 4.636 0.016 7 0 "[ . 1 . 2]" 1
1349 1 93 GLN HA 1 104 ILE H . . 4.320 3.654 3.553 3.766 . 0 0 "[ . 1 . 2]" 1
1350 1 93 GLN HA 1 104 ILE HB . . 4.560 4.468 4.352 4.566 0.006 10 0 "[ . 1 . 2]" 1
1351 1 93 GLN HA 1 104 ILE MD . . 2.590 2.239 2.087 2.452 . 0 0 "[ . 1 . 2]" 1
1352 1 93 GLN HA 1 104 ILE HG12 . . 2.400 2.161 2.127 2.246 . 0 0 "[ . 1 . 2]" 1
1353 1 93 GLN HA 1 104 ILE HG13 . . 2.700 2.564 2.404 2.707 0.007 10 0 "[ . 1 . 2]" 1
1354 1 93 GLN HB2 1 94 GLY H . . 4.270 4.115 4.103 4.137 . 0 0 "[ . 1 . 2]" 1
1355 1 93 GLN HB2 1 104 ILE MD . . 5.500 4.246 4.135 4.394 . 0 0 "[ . 1 . 2]" 1
1356 1 93 GLN HB3 1 93 GLN QG . . 2.420 2.272 2.163 2.332 . 0 0 "[ . 1 . 2]" 1
1357 1 93 GLN HB3 1 94 GLY H . . 4.720 2.869 2.849 2.904 . 0 0 "[ . 1 . 2]" 1
1358 1 93 GLN HB3 1 94 GLY HA2 . . 5.100 4.936 4.908 4.975 . 0 0 "[ . 1 . 2]" 1
1359 1 93 GLN HB3 1 94 GLY HA3 . . 4.540 4.440 4.431 4.456 . 0 0 "[ . 1 . 2]" 1
1360 1 93 GLN QG 1 94 GLY H . . 3.410 3.441 3.438 3.448 0.038 14 0 "[ . 1 . 2]" 1
1361 1 93 GLN QG 1 94 GLY HA3 . . 5.340 3.612 3.565 3.644 . 0 0 "[ . 1 . 2]" 1
1362 1 94 GLY H 1 95 TYR H . . 3.970 3.099 2.845 3.228 . 0 0 "[ . 1 . 2]" 1
1363 1 94 GLY H 1 95 TYR HB2 . . 4.320 4.036 3.987 4.085 . 0 0 "[ . 1 . 2]" 1
1364 1 94 GLY H 1 95 TYR HB3 . . 5.390 4.399 4.254 4.456 . 0 0 "[ . 1 . 2]" 1
1365 1 94 GLY H 1 104 ILE MD . . 5.210 4.194 4.112 4.268 . 0 0 "[ . 1 . 2]" 1
1366 1 94 GLY H 1 104 ILE HG12 . . 5.500 5.566 5.552 5.587 0.087 20 0 "[ . 1 . 2]" 1
1367 1 94 GLY HA2 1 95 TYR H . . 2.700 2.570 2.508 2.699 . 0 0 "[ . 1 . 2]" 1
1368 1 94 GLY HA2 1 102 LEU QB . . 5.340 4.683 4.007 5.027 . 0 0 "[ . 1 . 2]" 1
1369 1 95 TYR H 1 95 TYR HB2 . . 3.640 3.215 3.096 3.333 . 0 0 "[ . 1 . 2]" 1
1370 1 95 TYR H 1 95 TYR HB3 . . 3.690 2.658 2.552 2.767 . 0 0 "[ . 1 . 2]" 1
1371 1 95 TYR H 1 95 TYR QD . . 4.280 4.201 4.127 4.232 . 0 0 "[ . 1 . 2]" 1
1372 1 95 TYR H 1 96 PRO HD3 . . 5.010 4.733 4.658 4.803 . 0 0 "[ . 1 . 2]" 1
1373 1 95 TYR H 1 102 LEU H . . 4.990 4.870 4.512 5.002 0.012 7 0 "[ . 1 . 2]" 1
1374 1 95 TYR H 1 102 LEU QB . . 4.180 3.290 2.867 3.497 . 0 0 "[ . 1 . 2]" 1
1375 1 95 TYR H 1 102 LEU QD . . 4.170 3.125 2.961 3.260 . 0 0 "[ . 1 . 2]" 1
1376 1 95 TYR H 1 102 LEU HG . . 5.500 4.666 4.304 5.489 . 0 0 "[ . 1 . 2]" 1
1377 1 95 TYR H 1 104 ILE MD . . 4.030 3.768 3.690 3.872 . 0 0 "[ . 1 . 2]" 1
1378 1 95 TYR HA 1 95 TYR HB2 . . 2.400 2.423 2.395 2.427 0.027 15 0 "[ . 1 . 2]" 1
1379 1 95 TYR HA 1 95 TYR QD . . 4.270 3.069 3.044 3.077 . 0 0 "[ . 1 . 2]" 1
1380 1 95 TYR HA 1 95 TYR QE . . 5.500 4.774 4.767 4.804 . 0 0 "[ . 1 . 2]" 1
1381 1 95 TYR HA 1 96 PRO HD2 . . 2.610 2.151 2.125 2.156 . 0 0 "[ . 1 . 2]" 1
1382 1 95 TYR HA 1 96 PRO HD3 . . 2.400 2.251 2.250 2.254 . 0 0 "[ . 1 . 2]" 1
1383 1 95 TYR HA 1 96 PRO QG . . 4.470 3.857 3.844 3.860 . 0 0 "[ . 1 . 2]" 1
1384 1 95 TYR HB2 1 102 LEU QD . . 4.310 4.115 3.970 4.276 . 0 0 "[ . 1 . 2]" 1
1385 1 95 TYR HB3 1 102 LEU QD . . 2.860 2.695 2.545 2.852 . 0 0 "[ . 1 . 2]" 1
1386 1 95 TYR QD 1 96 PRO HA . . 4.510 4.314 4.289 4.437 . 0 0 "[ . 1 . 2]" 1
1387 1 95 TYR QD 1 96 PRO HD2 . . 2.920 2.779 2.685 2.795 . 0 0 "[ . 1 . 2]" 1
1388 1 95 TYR QD 1 96 PRO HD3 . . 4.230 4.060 4.056 4.064 . 0 0 "[ . 1 . 2]" 1
1389 1 95 TYR QD 1 97 PHE H . . 4.520 3.787 3.745 3.922 . 0 0 "[ . 1 . 2]" 1
1390 1 95 TYR QD 1 97 PHE HB2 . . 2.660 2.247 2.131 2.427 . 0 0 "[ . 1 . 2]" 1
1391 1 95 TYR QD 1 97 PHE HB3 . . 5.210 3.427 3.188 3.581 . 0 0 "[ . 1 . 2]" 1
1392 1 95 TYR QD 1 97 PHE QD . . 5.500 4.242 4.065 4.286 . 0 0 "[ . 1 . 2]" 1
1393 1 95 TYR QD 1 102 LEU QD . . 2.550 2.517 2.223 2.559 0.009 17 0 "[ . 1 . 2]" 1
1394 1 95 TYR QD 1 104 ILE MD . . 5.500 5.347 5.156 5.516 0.016 18 0 "[ . 1 . 2]" 1
1395 1 95 TYR QE 1 96 PRO HA . . 5.270 5.282 5.271 5.311 0.041 14 0 "[ . 1 . 2]" 1
1396 1 95 TYR QE 1 97 PHE HB2 . . 2.950 2.839 2.217 2.956 0.006 7 0 "[ . 1 . 2]" 1
1397 1 95 TYR QE 1 97 PHE QD . . 3.350 3.294 2.877 3.358 0.008 1 0 "[ . 1 . 2]" 1
1398 1 96 PRO HA 1 97 PHE H . . 2.400 2.204 2.186 2.210 . 0 0 "[ . 1 . 2]" 1
1399 1 96 PRO HA 1 100 ASN H . . 4.350 4.230 3.866 4.348 . 0 0 "[ . 1 . 2]" 1
1400 1 96 PRO HA 1 102 LEU H . . 4.600 4.512 4.139 4.626 0.026 16 0 "[ . 1 . 2]" 1
1401 1 96 PRO HB2 1 97 PHE H . . 4.060 3.966 3.913 3.984 . 0 0 "[ . 1 . 2]" 1
1402 1 96 PRO HB2 1 99 GLY H . . 5.110 4.917 4.340 5.108 . 0 0 "[ . 1 . 2]" 1
1403 1 96 PRO HB2 1 100 ASN H . . 5.700 5.214 4.859 5.523 . 0 0 "[ . 1 . 2]" 1
1404 1 96 PRO QG 1 97 PHE H . . 5.030 4.753 4.751 4.754 . 0 0 "[ . 1 . 2]" 1
1405 1 97 PHE H 1 97 PHE HB2 . . 3.410 3.268 3.159 3.382 . 0 0 "[ . 1 . 2]" 1
1406 1 97 PHE H 1 97 PHE HB3 . . 3.600 2.691 2.553 2.807 . 0 0 "[ . 1 . 2]" 1
1407 1 97 PHE H 1 98 GLN H . . 4.760 4.401 4.346 4.428 . 0 0 "[ . 1 . 2]" 1
1408 1 97 PHE H 1 98 GLN HB2 . . 5.500 4.883 4.706 5.107 . 0 0 "[ . 1 . 2]" 1
1409 1 97 PHE H 1 99 GLY H . . 4.260 4.148 3.902 4.262 0.002 11 0 "[ . 1 . 2]" 1
1410 1 97 PHE H 1 100 ASN H . . 4.000 3.573 3.411 3.710 . 0 0 "[ . 1 . 2]" 1
1411 1 97 PHE H 1 101 PRO HA . . 5.500 5.331 5.199 5.511 0.011 14 0 "[ . 1 . 2]" 1
1412 1 97 PHE H 1 102 LEU H . . 4.610 4.352 4.056 4.618 0.008 13 0 "[ . 1 . 2]" 1
1413 1 97 PHE H 1 102 LEU QB . . 5.090 2.568 2.315 2.966 . 0 0 "[ . 1 . 2]" 1
1414 1 97 PHE H 1 102 LEU QD . . 4.350 3.124 2.947 3.433 . 0 0 "[ . 1 . 2]" 1
1415 1 97 PHE H 1 102 LEU HG . . 5.400 4.801 3.457 5.257 . 0 0 "[ . 1 . 2]" 1
1416 1 97 PHE HA 1 97 PHE QD . . 4.310 2.416 2.216 2.899 . 0 0 "[ . 1 . 2]" 1
1417 1 97 PHE HA 1 99 GLY H . . 4.060 3.354 3.295 3.503 . 0 0 "[ . 1 . 2]" 1
1418 1 97 PHE HA 1 100 ASN H . . 5.240 5.041 4.926 5.245 0.005 1 0 "[ . 1 . 2]" 1
1419 1 97 PHE HB2 1 98 GLN H . . 4.460 3.962 3.903 4.091 . 0 0 "[ . 1 . 2]" 1
1420 1 97 PHE HB2 1 102 LEU QB . . 5.340 3.754 3.486 4.324 . 0 0 "[ . 1 . 2]" 1
1421 1 97 PHE HB2 1 102 LEU QD . . 3.250 2.351 2.182 2.558 . 0 0 "[ . 1 . 2]" 1
1422 1 97 PHE HB3 1 98 GLN H . . 4.340 3.988 3.893 4.275 . 0 0 "[ . 1 . 2]" 1
1423 1 97 PHE HB3 1 100 ASN H . . 5.500 5.446 5.345 5.515 0.015 16 0 "[ . 1 . 2]" 1
1424 1 97 PHE HB3 1 102 LEU QD . . 3.730 1.917 1.822 2.057 . 0 0 "[ . 1 . 2]" 1
1425 1 97 PHE HB3 1 102 LEU HG . . 4.060 3.551 1.998 4.064 0.004 15 0 "[ . 1 . 2]" 1
1426 1 97 PHE QD 1 98 GLN H . . 4.480 2.654 2.439 3.427 . 0 0 "[ . 1 . 2]" 1
1427 1 97 PHE QD 1 98 GLN HB2 . . 4.270 3.167 2.617 3.535 . 0 0 "[ . 1 . 2]" 1
1428 1 97 PHE QD 1 98 GLN QG . . 4.770 3.526 2.960 4.063 . 0 0 "[ . 1 . 2]" 1
1429 1 97 PHE QD 1 102 LEU QB . . 5.340 3.642 3.247 4.539 . 0 0 "[ . 1 . 2]" 1
1430 1 97 PHE QD 1 102 LEU QD . . 3.800 2.054 1.861 2.670 . 0 0 "[ . 1 . 2]" 1
1431 1 97 PHE QE 1 98 GLN HG2 . . 5.100 3.556 2.820 4.870 . 0 0 "[ . 1 . 2]" 1
1432 1 97 PHE QE 1 98 GLN QG . . 4.250 2.919 2.512 3.390 . 0 0 "[ . 1 . 2]" 1
1433 1 97 PHE QE 1 98 GLN HG3 . . 5.100 3.321 2.589 4.572 . 0 0 "[ . 1 . 2]" 1
1434 1 97 PHE QE 1 102 LEU QD . . 4.020 3.540 3.325 4.020 . 0 0 "[ . 1 . 2]" 1
1435 1 97 PHE HZ 1 98 GLN QG . . 3.440 3.230 2.925 3.470 0.030 1 0 "[ . 1 . 2]" 1
1436 1 98 GLN H 1 98 GLN HB2 . . 4.000 3.197 2.996 3.348 . 0 0 "[ . 1 . 2]" 1
1437 1 98 GLN H 1 98 GLN QG . . 4.290 3.218 2.707 4.044 . 0 0 "[ . 1 . 2]" 1
1438 1 98 GLN H 1 99 GLY H . . 4.280 2.721 2.679 2.771 . 0 0 "[ . 1 . 2]" 1
1439 1 98 GLN H 1 100 ASN H . . 5.360 5.146 5.014 5.360 . 0 0 "[ . 1 . 2]" 1
1440 1 98 GLN HA 1 98 GLN QG . . 3.590 2.430 2.002 2.722 . 0 0 "[ . 1 . 2]" 1
1441 1 98 GLN HA 1 99 GLY H . . 3.120 2.969 2.923 3.004 . 0 0 "[ . 1 . 2]" 1
1442 1 98 GLN HB2 1 99 GLY H . . 4.550 4.174 4.077 4.321 . 0 0 "[ . 1 . 2]" 1
1443 1 98 GLN HB2 1 99 GLY QA . . 5.340 4.893 4.629 5.145 . 0 0 "[ . 1 . 2]" 1
1444 1 98 GLN HB3 1 99 GLY H . . 4.830 4.242 4.121 4.376 . 0 0 "[ . 1 . 2]" 1
1445 1 98 GLN QG 1 99 GLY H . . 5.040 4.749 4.578 5.007 . 0 0 "[ . 1 . 2]" 1
1446 1 99 GLY H 1 99 GLY QA . . 2.460 2.414 2.395 2.463 0.003 1 0 "[ . 1 . 2]" 1
1447 1 99 GLY H 1 100 ASN H . . 3.730 3.190 3.096 3.340 . 0 0 "[ . 1 . 2]" 1
1448 1 100 ASN H 1 100 ASN QB . . 3.300 2.974 2.965 2.987 . 0 0 "[ . 1 . 2]" 1
1449 1 100 ASN H 1 101 PRO QB . . 5.540 4.703 4.688 4.713 . 0 0 "[ . 1 . 2]" 1
1450 1 100 ASN H 1 101 PRO QD . . 3.200 1.908 1.881 1.929 . 0 0 "[ . 1 . 2]" 1
1451 1 100 ASN H 1 101 PRO QG . . 5.550 3.513 3.493 3.527 . 0 0 "[ . 1 . 2]" 1
1452 1 100 ASN HA 1 101 PRO QD . . 3.720 3.467 3.466 3.468 . 0 0 "[ . 1 . 2]" 1
1453 1 100 ASN QB 1 101 PRO QD . . 3.710 1.869 1.851 1.881 . 0 0 "[ . 1 . 2]" 1
1454 1 101 PRO QD 1 102 LEU H . . 4.960 4.771 4.650 4.823 . 0 0 "[ . 1 . 2]" 1
1455 1 102 LEU H 1 102 LEU QB . . 2.660 2.460 2.370 2.511 . 0 0 "[ . 1 . 2]" 1
1456 1 102 LEU H 1 102 LEU QD . . 4.010 3.920 3.850 3.965 . 0 0 "[ . 1 . 2]" 1
1457 1 102 LEU H 1 102 LEU HG . . 4.540 4.365 4.285 4.527 . 0 0 "[ . 1 . 2]" 1
1458 1 102 LEU H 1 103 VAL H . . 4.560 4.295 4.193 4.435 . 0 0 "[ . 1 . 2]" 1
1459 1 102 LEU H 1 104 ILE MD . . 5.010 4.943 4.756 5.015 0.005 7 0 "[ . 1 . 2]" 1
1460 1 102 LEU HA 1 102 LEU QD . . 2.630 2.314 2.122 2.434 . 0 0 "[ . 1 . 2]" 1
1461 1 102 LEU HA 1 103 VAL H . . 3.260 2.147 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
1462 1 102 LEU QB 1 102 LEU QD . . 2.580 1.894 1.863 1.970 . 0 0 "[ . 1 . 2]" 1
1463 1 102 LEU QB 1 103 VAL H . . 3.860 3.741 3.573 3.819 . 0 0 "[ . 1 . 2]" 1
1464 1 102 LEU QB 1 104 ILE MD . . 4.560 3.351 2.618 3.595 . 0 0 "[ . 1 . 2]" 1
1465 1 102 LEU HB2 1 103 VAL H . . 4.590 4.237 4.011 4.481 . 0 0 "[ . 1 . 2]" 1
1466 1 102 LEU HB3 1 103 VAL H . . 4.590 4.203 3.772 4.372 . 0 0 "[ . 1 . 2]" 1
1467 1 102 LEU QD 1 103 VAL H . . 3.060 2.470 1.991 2.930 . 0 0 "[ . 1 . 2]" 1
1468 1 102 LEU QD 1 104 ILE MD . . 3.230 2.127 1.810 2.287 . 0 0 "[ . 1 . 2]" 1
1469 1 102 LEU HG 1 104 ILE MD . . 5.500 2.551 1.981 4.241 . 0 0 "[ . 1 . 2]" 1
1470 1 103 VAL H 1 103 VAL HB . . 3.120 3.050 2.914 3.320 0.200 19 0 "[ . 1 . 2]" 1
1471 1 103 VAL H 1 103 VAL QG . . 3.070 2.049 1.917 2.125 . 0 0 "[ . 1 . 2]" 1
1472 1 103 VAL H 1 104 ILE H . . 4.480 4.398 4.306 4.450 . 0 0 "[ . 1 . 2]" 1
1473 1 103 VAL H 1 104 ILE MD . . 5.500 3.498 3.296 3.616 . 0 0 "[ . 1 . 2]" 1
1474 1 103 VAL H 1 104 ILE MG . . 5.500 4.303 4.215 4.553 . 0 0 "[ . 1 . 2]" 1
1475 1 103 VAL HA 1 103 VAL HB . . 2.550 2.520 2.421 2.867 0.317 20 0 "[ . 1 . 2]" 1
1476 1 103 VAL HA 1 103 VAL QG . . 2.640 2.190 2.017 2.311 . 0 0 "[ . 1 . 2]" 1
1477 1 103 VAL HA 1 104 ILE H . . 3.270 2.174 2.141 2.191 . 0 0 "[ . 1 . 2]" 1
1478 1 103 VAL HA 1 104 ILE MD . . 3.160 2.842 2.792 2.962 . 0 0 "[ . 1 . 2]" 1
1479 1 103 VAL HB 1 104 ILE H . . 4.820 4.114 3.365 4.235 . 0 0 "[ . 1 . 2]" 1
1480 1 103 VAL QG 1 104 ILE H . . 2.740 2.433 2.123 2.788 0.048 20 0 "[ . 1 . 2]" 1
1481 1 103 VAL QG 1 104 ILE MD . . 4.600 3.593 3.543 3.743 . 0 0 "[ . 1 . 2]" 1
1482 1 104 ILE H 1 104 ILE HB . . 4.140 3.648 3.516 3.698 . 0 0 "[ . 1 . 2]" 1
1483 1 104 ILE H 1 104 ILE MD . . 4.020 2.551 2.465 2.579 . 0 0 "[ . 1 . 2]" 1
1484 1 104 ILE H 1 104 ILE HG12 . . 2.400 2.055 1.936 2.122 . 0 0 "[ . 1 . 2]" 1
1485 1 104 ILE H 1 104 ILE HG13 . . 4.860 3.677 3.580 3.730 . 0 0 "[ . 1 . 2]" 1
1486 1 104 ILE H 1 104 ILE MG . . 4.400 3.518 3.451 3.614 . 0 0 "[ . 1 . 2]" 1
1487 1 104 ILE H 1 105 THR H . . 4.420 4.225 4.159 4.286 . 0 0 "[ . 1 . 2]" 1
1488 1 104 ILE H 1 105 THR MG . . 5.500 3.506 3.250 3.760 . 0 0 "[ . 1 . 2]" 1
1489 1 104 ILE HA 1 104 ILE MD . . 3.370 3.224 3.035 3.285 . 0 0 "[ . 1 . 2]" 1
1490 1 104 ILE HA 1 104 ILE MG . . 2.840 2.183 2.151 2.202 . 0 0 "[ . 1 . 2]" 1
1491 1 104 ILE HA 1 105 THR H . . 3.030 2.144 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
1492 1 104 ILE HA 1 105 THR MG . . 4.620 3.927 3.620 4.240 . 0 0 "[ . 1 . 2]" 1
1493 1 104 ILE HB 1 105 THR H . . 3.810 3.431 3.373 3.663 . 0 0 "[ . 1 . 2]" 1
1494 1 104 ILE MD 1 104 ILE MG . . 3.430 1.875 1.856 1.891 . 0 0 "[ . 1 . 2]" 1
1495 1 104 ILE MD 1 105 THR H . . 5.500 4.953 4.849 4.982 . 0 0 "[ . 1 . 2]" 1
1496 1 104 ILE MG 1 105 THR H . . 5.500 3.514 3.401 3.588 . 0 0 "[ . 1 . 2]" 1
1497 1 105 THR H 1 105 THR MG . . 3.470 3.193 2.651 3.454 . 0 0 "[ . 1 . 2]" 1
1498 1 105 THR H 1 106 PHE H . . 5.090 4.415 4.399 4.459 . 0 0 "[ . 1 . 2]" 1
1499 1 105 THR HB 1 106 PHE H . . 3.480 2.241 2.086 2.414 . 0 0 "[ . 1 . 2]" 1
1500 1 105 THR MG 1 106 PHE H . . 4.640 3.500 3.245 3.756 . 0 0 "[ . 1 . 2]" 1
1501 1 106 PHE H 1 106 PHE HB2 . . 2.820 2.555 2.310 2.612 . 0 0 "[ . 1 . 2]" 1
1502 1 106 PHE H 1 106 PHE HB3 . . 3.780 3.628 3.570 3.666 . 0 0 "[ . 1 . 2]" 1
1503 1 106 PHE H 1 106 PHE QD . . 2.600 2.286 1.974 2.630 0.030 18 0 "[ . 1 . 2]" 1
1504 1 106 PHE HA 1 106 PHE QD . . 4.020 2.907 2.564 3.091 . 0 0 "[ . 1 . 2]" 1
1505 1 106 PHE HB2 1 107 SER H . . 3.990 3.128 2.873 3.874 . 0 0 "[ . 1 . 2]" 1
1506 1 106 PHE HB3 1 107 SER H . . 5.080 2.300 1.947 4.313 . 0 0 "[ . 1 . 2]" 1
1507 1 106 PHE QD 1 107 SER H . . 4.020 3.894 3.712 4.388 0.368 18 0 "[ . 1 . 2]" 1
1508 1 107 SER H 1 107 SER QB . . 2.970 2.718 2.452 2.982 0.012 12 0 "[ . 1 . 2]" 1
1509 1 107 SER QB 1 108 GLU H . . 3.310 2.255 2.041 2.571 . 0 0 "[ . 1 . 2]" 1
1510 1 107 SER QB 1 109 THR H . . 5.340 5.251 4.946 5.396 0.056 18 0 "[ . 1 . 2]" 1
1511 1 107 SER QB 1 109 THR MG . . 4.840 3.661 3.280 4.311 . 0 0 "[ . 1 . 2]" 1
1512 1 107 SER HB2 1 108 GLU H . . 3.780 3.586 2.270 3.728 . 0 0 "[ . 1 . 2]" 1
1513 1 107 SER HB3 1 108 GLU H . . 3.780 2.345 2.054 3.621 . 0 0 "[ . 1 . 2]" 1
1514 1 108 GLU H 1 108 GLU HB2 . . 3.890 2.855 2.404 3.736 . 0 0 "[ . 1 . 2]" 1
1515 1 108 GLU H 1 108 GLU QB . . 3.250 2.572 2.372 2.891 . 0 0 "[ . 1 . 2]" 1
1516 1 108 GLU H 1 108 GLU HB3 . . 3.890 3.395 2.762 3.816 . 0 0 "[ . 1 . 2]" 1
1517 1 108 GLU H 1 108 GLU QG . . 4.370 2.690 1.982 4.101 . 0 0 "[ . 1 . 2]" 1
1518 1 108 GLU H 1 109 THR H . . 4.620 4.489 4.138 4.574 . 0 0 "[ . 1 . 2]" 1
1519 1 108 GLU H 1 109 THR MG . . 5.300 4.334 3.823 5.009 . 0 0 "[ . 1 . 2]" 1
1520 1 108 GLU HA 1 108 GLU QB . . 2.430 2.322 2.178 2.447 0.017 11 0 "[ . 1 . 2]" 1
1521 1 108 GLU HA 1 110 PRO QD . . 4.160 3.892 3.704 4.060 . 0 0 "[ . 1 . 2]" 1
1522 1 108 GLU QB 1 109 THR H . . 3.390 3.001 2.719 3.467 0.077 18 0 "[ . 1 . 2]" 1
1523 1 108 GLU QB 1 109 THR HA . . 5.340 4.204 4.029 4.464 . 0 0 "[ . 1 . 2]" 1
1524 1 108 GLU QB 1 110 PRO QD . . 4.280 2.450 2.223 2.669 . 0 0 "[ . 1 . 2]" 1
1525 1 108 GLU QG 1 109 THR H . . 5.170 3.953 2.163 4.914 . 0 0 "[ . 1 . 2]" 1
1526 1 109 THR H 1 109 THR MG . . 3.810 3.086 2.638 3.375 . 0 0 "[ . 1 . 2]" 1
1527 1 109 THR H 1 110 PRO HA . . 4.720 4.497 4.278 4.712 . 0 0 "[ . 1 . 2]" 1
1528 1 109 THR H 1 110 PRO QD . . 4.580 3.002 2.695 3.245 . 0 0 "[ . 1 . 2]" 1
1529 1 109 THR HA 1 109 THR MG . . 2.400 2.262 2.099 2.401 0.001 18 0 "[ . 1 . 2]" 1
1530 1 109 THR HA 1 110 PRO QD . . 2.400 2.056 2.024 2.092 . 0 0 "[ . 1 . 2]" 1
1531 1 109 THR HA 1 110 PRO HG2 . . 4.550 4.225 4.203 4.249 . 0 0 "[ . 1 . 2]" 1
1532 1 109 THR MG 1 110 PRO QD . . 4.170 3.729 3.640 3.805 . 0 0 "[ . 1 . 2]" 1
1533 1 110 PRO HA 1 111 GLN H . . 2.720 2.537 2.465 2.636 . 0 0 "[ . 1 . 2]" 1
1534 1 110 PRO HA 1 111 GLN QB . . 5.340 4.085 3.765 4.625 . 0 0 "[ . 1 . 2]" 1
1535 1 110 PRO HB2 1 111 GLN H . . 2.460 2.294 2.079 2.458 . 0 0 "[ . 1 . 2]" 1
1536 1 110 PRO HB2 1 112 SER H . . 4.870 3.451 2.320 4.853 . 0 0 "[ . 1 . 2]" 1
1537 1 110 PRO HB3 1 111 GLN H . . 4.480 3.303 3.212 3.377 . 0 0 "[ . 1 . 2]" 1
1538 1 110 PRO QD 1 111 GLN H . . 5.080 4.866 4.792 4.915 . 0 0 "[ . 1 . 2]" 1
1539 1 110 PRO HG2 1 111 GLN H . . 4.300 4.160 3.964 4.301 0.001 20 0 "[ . 1 . 2]" 1
1540 1 111 GLN H 1 111 GLN QB . . 3.120 2.909 2.570 3.118 . 0 0 "[ . 1 . 2]" 1
1541 1 111 GLN H 1 112 SER QB . . 4.740 3.975 3.283 4.667 . 0 0 "[ . 1 . 2]" 1
1542 1 111 GLN H 1 113 GLN QG . . 5.500 4.362 2.190 5.358 . 0 0 "[ . 1 . 2]" 1
1543 1 111 GLN HA 1 113 GLN QG . . 4.840 3.368 2.925 4.672 . 0 0 "[ . 1 . 2]" 1
1544 1 112 SER H 1 112 SER QB . . 2.720 2.284 2.061 2.573 . 0 0 "[ . 1 . 2]" 1
1545 1 112 SER H 1 113 GLN QG . . 5.300 3.691 3.361 4.146 . 0 0 "[ . 1 . 2]" 1
1546 1 112 SER HA 1 114 VAL H . . 4.720 3.863 3.568 4.468 . 0 0 "[ . 1 . 2]" 1
1547 1 112 SER QB 1 113 GLN H . . 4.260 2.996 2.686 3.564 . 0 0 "[ . 1 . 2]" 1
1548 1 113 GLN H 1 113 GLN QB . . 3.670 2.508 2.349 2.625 . 0 0 "[ . 1 . 2]" 1
1549 1 113 GLN H 1 113 GLN QG . . 4.850 2.146 1.933 2.457 . 0 0 "[ . 1 . 2]" 1
1550 1 113 GLN H 1 114 VAL H . . 4.460 2.706 2.537 2.859 . 0 0 "[ . 1 . 2]" 1
1551 1 113 GLN H 1 114 VAL HA . . 5.500 5.261 4.693 5.431 . 0 0 "[ . 1 . 2]" 1
1552 1 113 GLN H 1 114 VAL MG1 . . 5.070 4.106 3.515 4.617 . 0 0 "[ . 1 . 2]" 1
1553 1 113 GLN H 1 114 VAL MG2 . . 5.380 4.040 3.821 4.414 . 0 0 "[ . 1 . 2]" 1
1554 1 113 GLN HA 1 113 GLN HB2 . . 2.700 2.466 2.393 2.553 . 0 0 "[ . 1 . 2]" 1
1555 1 113 GLN HA 1 113 GLN QB . . 2.270 2.179 2.173 2.181 . 0 0 "[ . 1 . 2]" 1
1556 1 113 GLN HA 1 113 GLN HB3 . . 2.700 2.431 2.354 2.506 . 0 0 "[ . 1 . 2]" 1
1557 1 113 GLN HA 1 113 GLN QG . . 4.010 3.346 3.317 3.413 . 0 0 "[ . 1 . 2]" 1
1558 1 114 VAL H 1 114 VAL HB . . 3.800 3.669 3.610 3.964 0.164 15 0 "[ . 1 . 2]" 1
1559 1 114 VAL H 1 114 VAL MG1 . . 2.550 2.276 1.938 2.548 . 0 0 "[ . 1 . 2]" 1
1560 1 114 VAL H 1 114 VAL MG2 . . 2.920 2.156 1.955 3.019 0.099 15 0 "[ . 1 . 2]" 1
1561 1 114 VAL H 1 115 ALA H . . 4.860 3.050 2.172 4.640 . 0 0 "[ . 1 . 2]" 1
1562 1 114 VAL HA 1 114 VAL MG1 . . 2.800 2.354 2.259 2.444 . 0 0 "[ . 1 . 2]" 1
1563 1 114 VAL HA 1 114 VAL MG2 . . 3.360 3.197 3.185 3.202 . 0 0 "[ . 1 . 2]" 1
1564 1 114 VAL HA 1 117 ASP H . . 5.340 3.736 3.233 5.096 . 0 0 "[ . 1 . 2]" 1
1565 1 114 VAL HB 1 117 ASP H . . 5.410 4.636 3.778 5.391 . 0 0 "[ . 1 . 2]" 1
1566 1 114 VAL MG1 1 115 ALA MB . . 5.310 5.113 4.786 5.431 0.121 15 0 "[ . 1 . 2]" 1
1567 1 114 VAL MG2 1 115 ALA H . . 5.500 2.914 2.025 3.858 . 0 0 "[ . 1 . 2]" 1
1568 1 114 VAL MG2 1 115 ALA MB . . 4.520 3.692 2.989 4.484 . 0 0 "[ . 1 . 2]" 1
1569 1 115 ALA H 1 116 GLU HA . . 5.460 5.213 5.084 5.396 . 0 0 "[ . 1 . 2]" 1
1570 1 115 ALA MB 1 116 GLU H . . 4.760 2.642 2.220 2.925 . 0 0 "[ . 1 . 2]" 1
1571 1 115 ALA MB 1 117 ASP H . . 4.880 4.462 4.201 4.739 . 0 0 "[ . 1 . 2]" 1
1572 1 116 GLU H 1 116 GLU QB . . 2.500 2.152 2.040 2.448 . 0 0 "[ . 1 . 2]" 1
1573 1 116 GLU HA 1 116 GLU QG . . 3.390 2.423 2.005 3.339 . 0 0 "[ . 1 . 2]" 1
1574 1 116 GLU QG 1 117 ASP H . . 4.860 3.996 2.152 4.564 . 0 0 "[ . 1 . 2]" 1
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