Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
552836 | 2m0c RC | 18805 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0c
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 817
_Distance_constraint_stats_list.Viol_count 331
_Distance_constraint_stats_list.Viol_total 424.406
_Distance_constraint_stats_list.Viol_max 0.401
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0641
_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 16 PHE 0.626 0.123 12 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 1.460 0.157 16 0 "[ . 1 . 2]"
1 20 GLN 0.607 0.132 11 0 "[ . 1 . 2]"
1 21 LEU 1.508 0.154 20 0 "[ . 1 . 2]"
1 22 GLU 1.114 0.401 14 0 "[ . 1 . 2]"
1 23 GLU 0.176 0.090 20 0 "[ . 1 . 2]"
1 24 LEU 0.022 0.022 15 0 "[ . 1 . 2]"
1 25 GLU 3.712 0.263 18 0 "[ . 1 . 2]"
1 26 LYS 0.117 0.070 7 0 "[ . 1 . 2]"
1 27 VAL 0.211 0.143 9 0 "[ . 1 . 2]"
1 28 PHE 0.944 0.164 9 0 "[ . 1 . 2]"
1 29 GLN 0.237 0.073 3 0 "[ . 1 . 2]"
1 30 LYS 0.229 0.079 14 0 "[ . 1 . 2]"
1 31 THR 0.305 0.143 9 0 "[ . 1 . 2]"
1 32 HIS 0.309 0.083 8 0 "[ . 1 . 2]"
1 33 TYR 0.632 0.109 16 0 "[ . 1 . 2]"
1 34 PRO 0.253 0.109 16 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 2.603 0.232 7 0 "[ . 1 . 2]"
1 37 TYR 2.687 0.232 7 0 "[ . 1 . 2]"
1 38 ALA 0.353 0.106 14 0 "[ . 1 . 2]"
1 39 ARG 0.088 0.068 8 0 "[ . 1 . 2]"
1 40 GLU 0.270 0.117 11 0 "[ . 1 . 2]"
1 41 GLN 1.364 0.119 11 0 "[ . 1 . 2]"
1 42 LEU 0.125 0.068 8 0 "[ . 1 . 2]"
1 43 ALA 0.566 0.120 3 0 "[ . 1 . 2]"
1 44 MET 0.469 0.095 17 0 "[ . 1 . 2]"
1 45 ARG 0.254 0.095 17 0 "[ . 1 . 2]"
1 46 THR 1.684 0.157 16 0 "[ . 1 . 2]"
1 47 ASP 0.198 0.118 12 0 "[ . 1 . 2]"
1 48 LEU 0.201 0.074 5 0 "[ . 1 . 2]"
1 49 THR 0.287 0.078 1 0 "[ . 1 . 2]"
1 50 GLU 0.267 0.120 3 0 "[ . 1 . 2]"
1 51 ALA 0.125 0.060 14 0 "[ . 1 . 2]"
1 52 ARG 0.594 0.082 15 0 "[ . 1 . 2]"
1 53 VAL 0.470 0.084 18 0 "[ . 1 . 2]"
1 54 GLN 0.086 0.060 14 0 "[ . 1 . 2]"
1 55 VAL 1.445 0.166 8 0 "[ . 1 . 2]"
1 56 TRP 4.102 0.241 3 0 "[ . 1 . 2]"
1 57 PHE 0.215 0.084 18 0 "[ . 1 . 2]"
1 58 GLN 0.633 0.067 10 0 "[ . 1 . 2]"
1 59 ASN 1.223 0.166 8 0 "[ . 1 . 2]"
1 60 ARG 0.482 0.164 9 0 "[ . 1 . 2]"
1 61 ARG 0.085 0.085 15 0 "[ . 1 . 2]"
1 62 ALA 0.099 0.052 3 0 "[ . 1 . 2]"
1 63 LYS 0.072 0.072 18 0 "[ . 1 . 2]"
1 64 TRP 2.004 0.185 3 0 "[ . 1 . 2]"
1 65 ARG 0.419 0.068 6 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PHE 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 16 PHE H 1 16 PHE QD 4.890 . 4.890 3.257 2.580 3.686 . 0 0 "[ . 1 . 2]" 1
2 1 16 PHE HA 1 16 PHE QD 4.030 . 4.030 2.690 2.340 2.916 . 0 0 "[ . 1 . 2]" 1
3 1 16 PHE HA 1 17 THR H 3.260 . 3.260 2.378 2.180 2.783 . 0 0 "[ . 1 . 2]" 1
4 1 16 PHE HA 1 17 THR MG 5.780 . 5.780 3.715 3.447 4.416 . 0 0 "[ . 1 . 2]" 1
5 1 16 PHE HB2 1 17 THR H 4.620 . 4.620 3.769 2.975 4.289 . 0 0 "[ . 1 . 2]" 1
6 1 16 PHE HB2 1 21 LEU H 5.780 . 5.780 4.641 3.847 5.151 . 0 0 "[ . 1 . 2]" 1
7 1 16 PHE HB2 1 21 LEU MD1 5.780 . 5.780 3.119 2.801 3.522 . 0 0 "[ . 1 . 2]" 1
8 1 16 PHE HB2 1 21 LEU MD2 5.590 . 5.590 2.346 2.072 2.802 . 0 0 "[ . 1 . 2]" 1
9 1 16 PHE HB2 1 21 LEU HG 5.780 . 5.780 2.803 2.320 3.258 . 0 0 "[ . 1 . 2]" 1
10 1 16 PHE HB3 1 17 THR H 3.910 . 3.910 2.797 1.995 3.531 . 0 0 "[ . 1 . 2]" 1
11 1 16 PHE HB3 1 17 THR MG 5.780 . 5.780 4.723 3.746 5.365 . 0 0 "[ . 1 . 2]" 1
12 1 16 PHE HB3 1 20 GLN HB2 5.780 . 5.780 2.706 2.033 4.401 . 0 0 "[ . 1 . 2]" 1
13 1 16 PHE HB3 1 21 LEU H 4.870 . 4.870 3.711 3.301 3.908 . 0 0 "[ . 1 . 2]" 1
14 1 16 PHE HB3 1 21 LEU HB2 5.780 . 5.780 5.085 4.415 5.591 . 0 0 "[ . 1 . 2]" 1
15 1 16 PHE HB3 1 21 LEU MD1 5.780 . 5.780 3.991 3.451 4.526 . 0 0 "[ . 1 . 2]" 1
16 1 16 PHE HB3 1 21 LEU MD2 5.780 . 5.780 2.846 2.575 3.582 . 0 0 "[ . 1 . 2]" 1
17 1 16 PHE HB3 1 21 LEU HG 5.780 . 5.780 2.809 2.157 3.409 . 0 0 "[ . 1 . 2]" 1
18 1 16 PHE HB3 1 24 LEU MD1 5.780 . 5.780 3.398 2.875 4.026 . 0 0 "[ . 1 . 2]" 1
19 1 16 PHE QD 1 17 THR H 4.980 . 4.980 4.040 3.762 4.423 . 0 0 "[ . 1 . 2]" 1
20 1 16 PHE QD 1 21 LEU MD1 5.780 . 5.780 4.123 3.568 4.635 . 0 0 "[ . 1 . 2]" 1
21 1 16 PHE QD 1 21 LEU MD2 5.780 . 5.780 2.734 1.839 3.227 . 0 0 "[ . 1 . 2]" 1
22 1 16 PHE QD 1 24 LEU MD1 4.120 . 4.120 3.043 2.520 3.467 . 0 0 "[ . 1 . 2]" 1
23 1 16 PHE QD 1 48 LEU MD1 3.710 . 3.710 2.276 1.898 2.621 . 0 0 "[ . 1 . 2]" 1
24 1 16 PHE QD 1 48 LEU MD2 3.780 . 3.780 2.566 2.068 3.321 . 0 0 "[ . 1 . 2]" 1
25 1 16 PHE QD 1 56 TRP HE1 4.870 . 4.870 4.222 3.466 4.643 . 0 0 "[ . 1 . 2]" 1
26 1 16 PHE QE 1 24 LEU MD1 4.280 . 4.280 3.294 2.696 3.659 . 0 0 "[ . 1 . 2]" 1
27 1 16 PHE QE 1 48 LEU MD1 3.800 . 3.800 2.187 1.950 2.589 . 0 0 "[ . 1 . 2]" 1
28 1 16 PHE QE 1 48 LEU MD2 3.820 . 3.820 2.677 2.129 3.647 . 0 0 "[ . 1 . 2]" 1
29 1 16 PHE QE 1 56 TRP HB2 4.420 . 4.420 3.292 2.638 3.870 . 0 0 "[ . 1 . 2]" 1
30 1 16 PHE QE 1 56 TRP HD1 3.930 . 3.930 2.603 2.016 3.068 . 0 0 "[ . 1 . 2]" 1
31 1 16 PHE QE 1 56 TRP HE1 4.900 . 4.900 4.695 4.209 5.023 0.123 12 0 "[ . 1 . 2]" 1
32 1 16 PHE HZ 1 24 LEU MD1 5.780 . 5.780 4.190 3.676 4.728 . 0 0 "[ . 1 . 2]" 1
33 1 16 PHE HZ 1 52 ARG QB 4.840 . 4.840 3.938 2.438 4.906 0.066 12 0 "[ . 1 . 2]" 1
34 1 16 PHE HZ 1 52 ARG QG 4.610 . 4.610 3.306 2.446 4.391 . 0 0 "[ . 1 . 2]" 1
35 1 16 PHE HZ 1 56 TRP HB2 4.140 . 4.140 2.858 2.489 3.168 . 0 0 "[ . 1 . 2]" 1
36 1 16 PHE HZ 1 56 TRP HB3 4.820 . 4.820 4.518 3.965 4.885 0.065 18 0 "[ . 1 . 2]" 1
37 1 16 PHE HZ 1 56 TRP HD1 4.040 . 4.040 3.628 2.854 4.135 0.095 15 0 "[ . 1 . 2]" 1
38 1 17 THR H 1 17 THR MG 3.400 . 3.400 2.338 2.029 3.075 . 0 0 "[ . 1 . 2]" 1
39 1 17 THR H 1 20 GLN H 4.480 . 4.480 3.773 3.395 4.197 . 0 0 "[ . 1 . 2]" 1
40 1 17 THR H 1 20 GLN HB2 3.760 . 3.760 2.365 1.966 2.980 . 0 0 "[ . 1 . 2]" 1
41 1 17 THR H 1 20 GLN HB3 4.330 . 4.330 3.647 2.391 4.064 . 0 0 "[ . 1 . 2]" 1
42 1 17 THR H 1 20 GLN QG 5.050 . 5.050 3.178 2.833 3.581 . 0 0 "[ . 1 . 2]" 1
43 1 17 THR H 1 21 LEU H 4.740 . 4.740 4.172 3.452 4.615 . 0 0 "[ . 1 . 2]" 1
44 1 17 THR MG 1 20 GLN H 5.080 . 5.080 3.858 1.838 5.052 . 0 0 "[ . 1 . 2]" 1
45 1 17 THR MG 1 20 GLN QE 4.990 . 4.990 3.442 2.271 4.830 . 0 0 "[ . 1 . 2]" 1
46 1 17 THR MG 1 20 GLN QG 5.610 . 5.610 3.174 1.979 4.689 . 0 0 "[ . 1 . 2]" 1
47 1 18 SER HA 1 21 LEU H 4.620 . 4.620 3.801 3.456 4.207 . 0 0 "[ . 1 . 2]" 1
48 1 18 SER HA 1 21 LEU HB2 5.780 . 5.780 3.054 2.697 3.545 . 0 0 "[ . 1 . 2]" 1
49 1 18 SER HA 1 21 LEU HB3 5.780 . 5.780 4.684 4.284 5.257 . 0 0 "[ . 1 . 2]" 1
50 1 18 SER HA 1 21 LEU MD1 5.720 . 5.720 3.085 2.546 3.899 . 0 0 "[ . 1 . 2]" 1
51 1 18 SER HA 1 21 LEU MD2 5.780 . 5.780 5.223 4.688 5.725 . 0 0 "[ . 1 . 2]" 1
52 1 18 SER QB 1 19 TYR H 4.440 . 4.440 2.600 2.195 3.314 . 0 0 "[ . 1 . 2]" 1
53 1 18 SER QB 1 19 TYR HA 5.610 . 5.610 4.162 3.883 4.491 . 0 0 "[ . 1 . 2]" 1
54 1 18 SER QB 1 21 LEU MD1 5.610 . 5.610 4.656 4.128 5.381 . 0 0 "[ . 1 . 2]" 1
55 1 19 TYR H 1 19 TYR HB2 4.120 . 4.120 2.621 2.403 2.761 . 0 0 "[ . 1 . 2]" 1
56 1 19 TYR H 1 19 TYR HB3 4.120 . 4.120 2.479 2.330 2.635 . 0 0 "[ . 1 . 2]" 1
57 1 19 TYR H 1 20 GLN H 3.640 . 3.640 2.807 2.705 3.000 . 0 0 "[ . 1 . 2]" 1
58 1 19 TYR HA 1 19 TYR QD 3.400 . 3.400 2.843 2.743 3.021 . 0 0 "[ . 1 . 2]" 1
59 1 19 TYR HA 1 22 GLU H 4.260 . 4.260 3.599 3.155 3.820 . 0 0 "[ . 1 . 2]" 1
60 1 19 TYR HA 1 22 GLU QB 5.230 . 5.230 2.779 1.959 3.700 . 0 0 "[ . 1 . 2]" 1
61 1 19 TYR HA 1 22 GLU QG 5.610 . 5.610 3.280 2.040 4.608 . 0 0 "[ . 1 . 2]" 1
62 1 19 TYR HB2 1 20 GLN H 4.810 . 4.810 3.941 3.800 4.105 . 0 0 "[ . 1 . 2]" 1
63 1 19 TYR HB3 1 20 GLN H 4.810 . 4.810 2.609 2.451 2.888 . 0 0 "[ . 1 . 2]" 1
64 1 19 TYR QD 1 20 GLN H 3.840 . 3.840 3.376 3.056 3.789 . 0 0 "[ . 1 . 2]" 1
65 1 19 TYR QD 1 23 GLU QG 4.480 . 4.480 3.584 3.212 4.164 . 0 0 "[ . 1 . 2]" 1
66 1 19 TYR QD 1 46 THR HA 4.370 . 4.370 3.212 2.524 4.008 . 0 0 "[ . 1 . 2]" 1
67 1 19 TYR QD 1 46 THR MG 4.980 . 4.980 3.895 2.899 4.406 . 0 0 "[ . 1 . 2]" 1
68 1 19 TYR QE 1 23 GLU HG2 4.290 . 4.290 3.800 3.445 4.339 0.049 13 0 "[ . 1 . 2]" 1
69 1 19 TYR QE 1 23 GLU HG3 4.290 . 4.290 3.237 2.790 3.956 . 0 0 "[ . 1 . 2]" 1
70 1 19 TYR QE 1 46 THR HA 3.360 . 3.360 2.774 2.185 3.471 0.111 8 0 "[ . 1 . 2]" 1
71 1 19 TYR QE 1 46 THR MG 3.840 . 3.840 3.731 2.980 3.997 0.157 16 0 "[ . 1 . 2]" 1
72 1 20 GLN H 1 20 GLN HB2 3.580 . 3.580 2.502 2.334 2.597 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLN H 1 20 GLN HB3 4.040 . 4.040 3.574 2.490 3.655 . 0 0 "[ . 1 . 2]" 1
74 1 20 GLN H 1 20 GLN QG 3.830 . 3.830 2.407 2.149 3.962 0.132 11 0 "[ . 1 . 2]" 1
75 1 20 GLN H 1 21 LEU H 3.720 . 3.720 2.826 2.718 2.909 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLN HA 1 20 GLN QE 5.610 . 5.610 4.579 3.817 4.772 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLN HA 1 23 GLU H 4.510 . 4.510 3.728 3.511 3.897 . 0 0 "[ . 1 . 2]" 1
78 1 20 GLN HA 1 24 LEU H 5.780 . 5.780 4.166 3.966 4.402 . 0 0 "[ . 1 . 2]" 1
79 1 20 GLN HA 1 46 THR HB 5.780 . 5.780 3.088 2.683 3.554 . 0 0 "[ . 1 . 2]" 1
80 1 20 GLN HA 1 46 THR MG 5.620 . 5.620 2.081 1.951 2.492 . 0 0 "[ . 1 . 2]" 1
81 1 20 GLN HB2 1 21 LEU H 3.860 . 3.860 2.624 2.439 3.827 . 0 0 "[ . 1 . 2]" 1
82 1 20 GLN HB3 1 21 LEU H 5.780 . 5.780 3.463 2.509 3.778 . 0 0 "[ . 1 . 2]" 1
83 1 20 GLN HB3 1 24 LEU MD1 5.780 . 5.780 2.949 2.509 3.982 . 0 0 "[ . 1 . 2]" 1
84 1 20 GLN HB3 1 48 LEU MD1 5.780 . 5.780 2.559 1.984 5.397 . 0 0 "[ . 1 . 2]" 1
85 1 20 GLN QE 1 46 THR HB 4.210 . 4.210 3.370 2.151 4.030 . 0 0 "[ . 1 . 2]" 1
86 1 20 GLN QE 1 46 THR MG 5.610 . 5.610 4.536 3.722 4.895 . 0 0 "[ . 1 . 2]" 1
87 1 20 GLN QE 1 47 ASP QB 4.290 . 4.290 3.138 2.500 3.707 . 0 0 "[ . 1 . 2]" 1
88 1 20 GLN QE 1 48 LEU MD2 3.680 . 3.680 2.401 2.055 3.203 . 0 0 "[ . 1 . 2]" 1
89 1 20 GLN HE21 1 46 THR HB 4.850 . 4.850 3.481 2.163 4.269 . 0 0 "[ . 1 . 2]" 1
90 1 20 GLN HE21 1 47 ASP HB2 5.780 . 5.780 4.019 2.913 5.143 . 0 0 "[ . 1 . 2]" 1
91 1 20 GLN HE21 1 47 ASP HB3 5.780 . 5.780 4.209 2.562 5.794 0.014 11 0 "[ . 1 . 2]" 1
92 1 20 GLN HE21 1 48 LEU MD1 5.780 . 5.780 4.021 2.659 5.144 . 0 0 "[ . 1 . 2]" 1
93 1 20 GLN HE21 1 48 LEU MD2 4.270 . 4.270 3.172 2.503 4.166 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLN HE21 1 48 LEU HG 4.610 . 4.610 3.156 1.791 4.628 0.018 10 0 "[ . 1 . 2]" 1
95 1 20 GLN HE22 1 46 THR HB 4.850 . 4.850 4.594 3.811 4.948 0.098 10 0 "[ . 1 . 2]" 1
96 1 20 GLN HE22 1 47 ASP HB2 5.780 . 5.780 4.888 3.779 5.814 0.034 17 0 "[ . 1 . 2]" 1
97 1 20 GLN HE22 1 47 ASP HB3 5.780 . 5.780 4.842 3.772 5.898 0.118 12 0 "[ . 1 . 2]" 1
98 1 20 GLN HE22 1 48 LEU MD1 5.780 . 5.780 4.129 3.634 5.093 . 0 0 "[ . 1 . 2]" 1
99 1 20 GLN HE22 1 48 LEU MD2 4.270 . 4.270 2.546 2.178 4.244 . 0 0 "[ . 1 . 2]" 1
100 1 20 GLN HE22 1 48 LEU HG 4.610 . 4.610 3.570 2.898 4.667 0.057 9 0 "[ . 1 . 2]" 1
101 1 20 GLN QG 1 21 LEU H 5.610 . 5.610 4.116 3.639 4.375 . 0 0 "[ . 1 . 2]" 1
102 1 20 GLN QG 1 46 THR MG 5.610 . 5.610 3.073 2.485 3.403 . 0 0 "[ . 1 . 2]" 1
103 1 20 GLN QG 1 48 LEU MD2 5.610 . 5.610 3.654 2.297 4.146 . 0 0 "[ . 1 . 2]" 1
104 1 20 GLN HG2 1 46 THR HB 5.780 . 5.780 2.360 1.734 3.795 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLN HG3 1 46 THR HB 5.780 . 5.780 3.743 1.726 4.172 . 0 0 "[ . 1 . 2]" 1
106 1 21 LEU H 1 21 LEU HB2 3.340 . 3.340 2.466 2.377 2.552 . 0 0 "[ . 1 . 2]" 1
107 1 21 LEU H 1 21 LEU HB3 3.830 . 3.830 3.620 3.595 3.638 . 0 0 "[ . 1 . 2]" 1
108 1 21 LEU H 1 21 LEU MD1 4.340 . 4.340 3.733 3.575 3.842 . 0 0 "[ . 1 . 2]" 1
109 1 21 LEU H 1 21 LEU MD2 4.350 . 4.350 3.378 3.058 3.590 . 0 0 "[ . 1 . 2]" 1
110 1 21 LEU H 1 21 LEU HG 3.390 . 3.390 2.434 2.269 2.613 . 0 0 "[ . 1 . 2]" 1
111 1 21 LEU H 1 24 LEU MD1 4.800 . 4.800 3.830 3.573 4.558 . 0 0 "[ . 1 . 2]" 1
112 1 21 LEU HA 1 21 LEU MD2 4.670 . 4.670 2.012 1.947 2.075 . 0 0 "[ . 1 . 2]" 1
113 1 21 LEU HA 1 24 LEU H 4.370 . 4.370 3.564 3.250 3.916 . 0 0 "[ . 1 . 2]" 1
114 1 21 LEU HA 1 24 LEU HB2 5.780 . 5.780 2.503 2.204 2.936 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU HA 1 24 LEU HB3 5.780 . 5.780 4.082 3.773 4.610 . 0 0 "[ . 1 . 2]" 1
116 1 21 LEU HA 1 24 LEU MD1 5.270 . 5.270 2.349 2.079 3.022 . 0 0 "[ . 1 . 2]" 1
117 1 21 LEU HA 1 25 GLU H 4.800 . 4.800 3.798 3.467 4.075 . 0 0 "[ . 1 . 2]" 1
118 1 21 LEU HB2 1 22 GLU H 3.650 . 3.650 2.837 2.627 3.025 . 0 0 "[ . 1 . 2]" 1
119 1 21 LEU HB3 1 22 GLU H 4.040 . 4.040 3.728 3.537 3.977 . 0 0 "[ . 1 . 2]" 1
120 1 21 LEU MD1 1 56 TRP HE1 4.530 . 4.530 4.081 3.895 4.319 . 0 0 "[ . 1 . 2]" 1
121 1 21 LEU MD1 1 56 TRP HZ2 4.900 . 4.900 4.972 4.860 5.054 0.154 20 0 "[ . 1 . 2]" 1
122 1 21 LEU MD2 1 24 LEU MD1 5.110 . 5.110 2.231 1.858 2.814 . 0 0 "[ . 1 . 2]" 1
123 1 21 LEU MD2 1 56 TRP HD1 4.070 . 4.070 3.223 2.974 3.614 . 0 0 "[ . 1 . 2]" 1
124 1 21 LEU MD2 1 56 TRP HE1 3.270 . 3.270 1.961 1.785 2.241 . 0 0 "[ . 1 . 2]" 1
125 1 21 LEU MD2 1 56 TRP HZ2 4.050 . 4.050 3.239 2.889 3.561 . 0 0 "[ . 1 . 2]" 1
126 1 22 GLU H 1 22 GLU HB2 3.950 . 3.950 2.460 2.088 3.671 . 0 0 "[ . 1 . 2]" 1
127 1 22 GLU H 1 22 GLU QB 3.270 . 3.270 2.353 2.059 2.535 . 0 0 "[ . 1 . 2]" 1
128 1 22 GLU H 1 22 GLU HB3 3.950 . 3.950 3.407 2.529 3.663 . 0 0 "[ . 1 . 2]" 1
129 1 22 GLU H 1 22 GLU HG2 4.400 . 4.400 3.305 2.211 4.445 0.045 14 0 "[ . 1 . 2]" 1
130 1 22 GLU H 1 22 GLU QG 3.550 . 3.550 2.726 2.194 3.951 0.401 14 0 "[ . 1 . 2]" 1
131 1 22 GLU H 1 22 GLU HG3 4.400 . 4.400 3.373 2.234 4.424 0.024 14 0 "[ . 1 . 2]" 1
132 1 22 GLU H 1 23 GLU H 3.370 . 3.370 2.760 2.642 2.919 . 0 0 "[ . 1 . 2]" 1
133 1 22 GLU HA 1 25 GLU H 4.550 . 4.550 3.973 3.537 4.422 . 0 0 "[ . 1 . 2]" 1
134 1 22 GLU HA 1 25 GLU QB 5.610 . 5.610 3.077 2.543 4.604 . 0 0 "[ . 1 . 2]" 1
135 1 22 GLU HA 1 26 LYS H 4.780 . 4.780 4.272 4.002 4.773 . 0 0 "[ . 1 . 2]" 1
136 1 22 GLU QB 1 23 GLU H 3.440 . 3.440 2.594 2.288 3.530 0.090 20 0 "[ . 1 . 2]" 1
137 1 22 GLU HB2 1 23 GLU H 3.960 . 3.960 2.892 2.334 3.980 0.020 20 0 "[ . 1 . 2]" 1
138 1 22 GLU HB3 1 23 GLU H 3.960 . 3.960 3.317 2.398 3.978 0.018 7 0 "[ . 1 . 2]" 1
139 1 22 GLU QG 1 23 GLU H 5.610 . 5.610 4.110 2.316 4.617 . 0 0 "[ . 1 . 2]" 1
140 1 23 GLU H 1 23 GLU HB2 3.690 . 3.690 2.455 2.280 2.644 . 0 0 "[ . 1 . 2]" 1
141 1 23 GLU H 1 23 GLU QB 3.080 . 3.080 2.415 2.254 2.583 . 0 0 "[ . 1 . 2]" 1
142 1 23 GLU H 1 23 GLU HB3 3.690 . 3.690 3.606 3.541 3.648 . 0 0 "[ . 1 . 2]" 1
143 1 23 GLU H 1 23 GLU QG 3.420 . 3.420 2.360 1.969 2.651 . 0 0 "[ . 1 . 2]" 1
144 1 23 GLU H 1 24 LEU H 3.580 . 3.580 2.672 2.443 2.847 . 0 0 "[ . 1 . 2]" 1
145 1 23 GLU H 1 24 LEU HG 5.170 . 5.170 4.575 4.252 4.718 . 0 0 "[ . 1 . 2]" 1
146 1 23 GLU H 1 46 THR MG 4.580 . 4.580 3.795 3.569 4.185 . 0 0 "[ . 1 . 2]" 1
147 1 23 GLU HA 1 26 LYS H 4.090 . 4.090 3.511 3.198 3.894 . 0 0 "[ . 1 . 2]" 1
148 1 23 GLU HA 1 26 LYS HB2 5.780 . 5.780 2.988 2.362 3.364 . 0 0 "[ . 1 . 2]" 1
149 1 23 GLU HA 1 26 LYS QB 5.090 . 5.090 2.588 2.022 3.297 . 0 0 "[ . 1 . 2]" 1
150 1 23 GLU HA 1 26 LYS HB3 5.780 . 5.780 3.347 2.047 4.913 . 0 0 "[ . 1 . 2]" 1
151 1 23 GLU HA 1 26 LYS HD2 5.780 . 5.780 3.310 2.016 5.478 . 0 0 "[ . 1 . 2]" 1
152 1 23 GLU HA 1 26 LYS HD3 5.780 . 5.780 3.903 1.782 5.323 . 0 0 "[ . 1 . 2]" 1
153 1 23 GLU HA 1 26 LYS QE 5.780 . 5.780 4.186 2.894 5.749 . 0 0 "[ . 1 . 2]" 1
154 1 23 GLU HA 1 26 LYS QG 5.610 . 5.610 3.893 2.806 4.734 . 0 0 "[ . 1 . 2]" 1
155 1 23 GLU HA 1 42 LEU MD1 5.780 . 5.780 3.840 3.622 4.188 . 0 0 "[ . 1 . 2]" 1
156 1 23 GLU QB 1 24 LEU H 3.680 . 3.680 2.527 2.368 2.790 . 0 0 "[ . 1 . 2]" 1
157 1 23 GLU QB 1 42 LEU MD1 5.590 . 5.590 2.246 1.968 2.497 . 0 0 "[ . 1 . 2]" 1
158 1 23 GLU QB 1 46 THR MG 4.870 . 4.870 2.038 1.876 2.212 . 0 0 "[ . 1 . 2]" 1
159 1 23 GLU HB2 1 24 LEU H 4.300 . 4.300 2.589 2.420 2.882 . 0 0 "[ . 1 . 2]" 1
160 1 23 GLU HB2 1 46 THR MG 5.620 . 5.620 2.107 1.908 2.330 . 0 0 "[ . 1 . 2]" 1
161 1 23 GLU HB3 1 24 LEU H 4.300 . 4.300 3.556 3.292 3.739 . 0 0 "[ . 1 . 2]" 1
162 1 23 GLU HB3 1 46 THR MG 5.620 . 5.620 2.760 2.450 3.017 . 0 0 "[ . 1 . 2]" 1
163 1 23 GLU HG2 1 46 THR MG 5.780 . 5.780 3.524 3.306 3.819 . 0 0 "[ . 1 . 2]" 1
164 1 23 GLU HG3 1 46 THR MG 5.780 . 5.780 2.757 2.345 3.135 . 0 0 "[ . 1 . 2]" 1
165 1 24 LEU H 1 24 LEU HB2 3.520 . 3.520 2.447 2.399 2.526 . 0 0 "[ . 1 . 2]" 1
166 1 24 LEU H 1 24 LEU HB3 4.070 . 4.070 3.603 3.585 3.632 . 0 0 "[ . 1 . 2]" 1
167 1 24 LEU H 1 24 LEU MD1 4.150 . 4.150 3.540 3.457 3.623 . 0 0 "[ . 1 . 2]" 1
168 1 24 LEU H 1 24 LEU MD2 5.780 . 5.780 3.581 3.460 3.729 . 0 0 "[ . 1 . 2]" 1
169 1 24 LEU H 1 24 LEU HG 3.490 . 3.490 2.401 2.235 2.558 . 0 0 "[ . 1 . 2]" 1
170 1 24 LEU H 1 25 GLU H 3.500 . 3.500 2.822 2.686 2.944 . 0 0 "[ . 1 . 2]" 1
171 1 24 LEU H 1 42 LEU MD1 5.780 . 5.780 3.254 3.031 3.924 . 0 0 "[ . 1 . 2]" 1
172 1 24 LEU H 1 46 THR MG 4.210 . 4.210 3.334 3.058 3.775 . 0 0 "[ . 1 . 2]" 1
173 1 24 LEU HA 1 27 VAL H 4.400 . 4.400 3.875 3.532 4.029 . 0 0 "[ . 1 . 2]" 1
174 1 24 LEU HA 1 27 VAL HB 5.780 . 5.780 3.378 3.000 3.716 . 0 0 "[ . 1 . 2]" 1
175 1 24 LEU HA 1 27 VAL MG2 5.780 . 5.780 3.644 3.236 3.911 . 0 0 "[ . 1 . 2]" 1
176 1 24 LEU HA 1 42 LEU MD1 5.740 . 5.740 2.408 2.038 3.060 . 0 0 "[ . 1 . 2]" 1
177 1 24 LEU HA 1 42 LEU MD2 5.540 . 5.540 2.418 1.957 3.088 . 0 0 "[ . 1 . 2]" 1
178 1 24 LEU HB2 1 25 GLU H 3.720 . 3.720 2.528 2.420 2.660 . 0 0 "[ . 1 . 2]" 1
179 1 24 LEU HB3 1 25 GLU H 4.200 . 4.200 3.457 3.279 3.665 . 0 0 "[ . 1 . 2]" 1
180 1 24 LEU HB3 1 56 TRP HH2 4.920 . 4.920 3.796 3.396 4.277 . 0 0 "[ . 1 . 2]" 1
181 1 24 LEU HB3 1 56 TRP HZ2 4.850 . 4.850 3.967 3.503 4.506 . 0 0 "[ . 1 . 2]" 1
182 1 24 LEU MD1 1 25 GLU H 4.960 . 4.960 4.434 4.345 4.592 . 0 0 "[ . 1 . 2]" 1
183 1 24 LEU MD1 1 46 THR MG 5.780 . 5.780 3.464 3.070 3.986 . 0 0 "[ . 1 . 2]" 1
184 1 24 LEU MD1 1 48 LEU MD1 5.520 . 5.520 2.244 2.012 2.413 . 0 0 "[ . 1 . 2]" 1
185 1 24 LEU MD1 1 48 LEU MD2 5.780 . 5.780 4.132 3.867 4.406 . 0 0 "[ . 1 . 2]" 1
186 1 24 LEU MD1 1 56 TRP HB2 5.780 . 5.780 3.127 2.777 3.408 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU MD1 1 56 TRP HB3 5.780 . 5.780 3.326 2.632 3.768 . 0 0 "[ . 1 . 2]" 1
188 1 24 LEU MD1 1 56 TRP HD1 4.160 . 4.160 3.084 2.889 3.339 . 0 0 "[ . 1 . 2]" 1
189 1 24 LEU MD1 1 56 TRP HE1 4.080 . 4.080 3.334 3.012 3.724 . 0 0 "[ . 1 . 2]" 1
190 1 24 LEU MD1 1 56 TRP HE3 5.780 . 5.780 4.109 3.649 4.431 . 0 0 "[ . 1 . 2]" 1
191 1 24 LEU MD1 1 56 TRP HH2 5.380 . 5.380 5.163 4.812 5.402 0.022 15 0 "[ . 1 . 2]" 1
192 1 24 LEU MD1 1 56 TRP HZ2 4.830 . 4.830 4.260 3.910 4.594 . 0 0 "[ . 1 . 2]" 1
193 1 24 LEU MD1 1 57 PHE QE 5.780 . 5.780 4.673 4.023 5.461 . 0 0 "[ . 1 . 2]" 1
194 1 24 LEU MD2 1 42 LEU MD1 5.380 . 5.380 2.417 2.050 2.837 . 0 0 "[ . 1 . 2]" 1
195 1 24 LEU MD2 1 42 LEU MD2 4.550 . 4.550 1.813 1.644 2.080 . 0 0 "[ . 1 . 2]" 1
196 1 24 LEU MD2 1 42 LEU HG 5.780 . 5.780 2.690 2.335 2.981 . 0 0 "[ . 1 . 2]" 1
197 1 24 LEU MD2 1 46 THR HB 5.780 . 5.780 4.254 3.718 4.825 . 0 0 "[ . 1 . 2]" 1
198 1 24 LEU MD2 1 48 LEU MD1 5.430 . 5.430 2.403 1.976 2.825 . 0 0 "[ . 1 . 2]" 1
199 1 24 LEU MD2 1 53 VAL HA 5.740 . 5.740 2.830 2.345 3.193 . 0 0 "[ . 1 . 2]" 1
200 1 24 LEU MD2 1 53 VAL HB 5.780 . 5.780 4.647 4.291 5.177 . 0 0 "[ . 1 . 2]" 1
201 1 24 LEU MD2 1 53 VAL MG1 5.070 . 5.070 2.580 2.114 3.346 . 0 0 "[ . 1 . 2]" 1
202 1 24 LEU MD2 1 53 VAL MG2 5.250 . 5.250 2.642 2.194 3.234 . 0 0 "[ . 1 . 2]" 1
203 1 24 LEU MD2 1 56 TRP HB2 5.780 . 5.780 3.780 3.468 4.407 . 0 0 "[ . 1 . 2]" 1
204 1 24 LEU MD2 1 56 TRP HB3 5.780 . 5.780 3.087 2.834 3.549 . 0 0 "[ . 1 . 2]" 1
205 1 24 LEU MD2 1 56 TRP HE3 4.140 . 4.140 3.481 3.145 3.834 . 0 0 "[ . 1 . 2]" 1
206 1 24 LEU MD2 1 57 PHE QD 4.860 . 4.860 3.554 3.004 4.052 . 0 0 "[ . 1 . 2]" 1
207 1 24 LEU MD2 1 57 PHE QE 4.200 . 4.200 2.513 1.948 3.276 . 0 0 "[ . 1 . 2]" 1
208 1 24 LEU MD2 1 57 PHE HZ 5.780 . 5.780 3.815 3.195 4.303 . 0 0 "[ . 1 . 2]" 1
209 1 24 LEU HG 1 25 GLU H 5.100 . 5.100 4.501 4.420 4.621 . 0 0 "[ . 1 . 2]" 1
210 1 24 LEU HG 1 48 LEU MD1 5.780 . 5.780 3.332 3.015 3.614 . 0 0 "[ . 1 . 2]" 1
211 1 25 GLU H 1 25 GLU HB2 3.550 . 3.550 2.395 2.191 3.659 0.109 7 0 "[ . 1 . 2]" 1
212 1 25 GLU H 1 25 GLU HB3 3.550 . 3.550 3.325 2.451 3.618 0.068 1 0 "[ . 1 . 2]" 1
213 1 25 GLU H 1 25 GLU HG2 4.190 . 4.190 3.105 2.400 4.453 0.263 18 0 "[ . 1 . 2]" 1
214 1 25 GLU H 1 25 GLU HG3 4.190 . 4.190 3.842 2.138 4.408 0.218 15 0 "[ . 1 . 2]" 1
215 1 25 GLU H 1 56 TRP HZ2 4.730 . 4.730 4.082 3.820 4.410 . 0 0 "[ . 1 . 2]" 1
216 1 25 GLU HA 1 26 LYS QB 5.610 . 5.610 5.327 5.068 5.497 . 0 0 "[ . 1 . 2]" 1
217 1 25 GLU HA 1 28 PHE H 4.320 . 4.320 3.321 2.973 3.794 . 0 0 "[ . 1 . 2]" 1
218 1 25 GLU HA 1 28 PHE HB2 5.780 . 5.780 3.125 2.496 3.779 . 0 0 "[ . 1 . 2]" 1
219 1 25 GLU HA 1 28 PHE HB3 5.710 . 5.710 2.401 1.992 3.125 . 0 0 "[ . 1 . 2]" 1
220 1 25 GLU HA 1 29 GLN H 4.660 . 4.660 4.129 3.759 4.683 0.023 15 0 "[ . 1 . 2]" 1
221 1 25 GLU HA 1 56 TRP HH2 3.640 . 3.640 2.157 1.804 2.330 . 0 0 "[ . 1 . 2]" 1
222 1 25 GLU HA 1 60 ARG QG 5.610 . 5.610 4.690 4.306 5.337 . 0 0 "[ . 1 . 2]" 1
223 1 25 GLU QB 1 56 TRP HH2 4.710 . 4.710 3.616 2.267 4.218 . 0 0 "[ . 1 . 2]" 1
224 1 25 GLU QB 1 56 TRP HZ2 4.300 . 4.300 4.053 2.652 4.541 0.241 3 0 "[ . 1 . 2]" 1
225 1 25 GLU HB2 1 26 LYS H 4.130 . 4.130 3.082 2.543 4.083 . 0 0 "[ . 1 . 2]" 1
226 1 25 GLU HB3 1 26 LYS H 4.130 . 4.130 3.322 2.274 4.200 0.070 7 0 "[ . 1 . 2]" 1
227 1 25 GLU QG 1 26 LYS H 5.490 . 5.490 4.210 2.858 4.593 . 0 0 "[ . 1 . 2]" 1
228 1 25 GLU QG 1 56 TRP HZ2 4.430 . 4.430 2.777 2.048 4.423 . 0 0 "[ . 1 . 2]" 1
229 1 25 GLU HG2 1 29 GLN QG 5.780 . 5.780 5.045 2.658 5.853 0.073 3 0 "[ . 1 . 2]" 1
230 1 25 GLU HG3 1 29 GLN QG 5.780 . 5.780 5.060 3.570 5.718 . 0 0 "[ . 1 . 2]" 1
231 1 26 LYS H 1 26 LYS HB2 4.300 . 4.300 2.478 2.312 2.635 . 0 0 "[ . 1 . 2]" 1
232 1 26 LYS H 1 26 LYS QB 3.420 . 3.420 2.310 2.101 2.554 . 0 0 "[ . 1 . 2]" 1
233 1 26 LYS H 1 26 LYS HB3 4.300 . 4.300 3.020 2.207 3.675 . 0 0 "[ . 1 . 2]" 1
234 1 26 LYS H 1 26 LYS QD 5.610 . 5.610 4.138 2.264 4.808 . 0 0 "[ . 1 . 2]" 1
235 1 26 LYS H 1 26 LYS QG 4.060 . 4.060 3.327 2.168 4.030 . 0 0 "[ . 1 . 2]" 1
236 1 26 LYS H 1 27 VAL H 3.530 . 3.530 2.823 2.648 2.961 . 0 0 "[ . 1 . 2]" 1
237 1 26 LYS H 1 27 VAL HB 5.780 . 5.780 5.041 4.830 5.242 . 0 0 "[ . 1 . 2]" 1
238 1 26 LYS H 1 27 VAL MG2 5.780 . 5.780 4.307 4.168 4.533 . 0 0 "[ . 1 . 2]" 1
239 1 26 LYS H 1 28 PHE H 4.890 . 4.890 4.067 3.823 4.298 . 0 0 "[ . 1 . 2]" 1
240 1 26 LYS HA 1 29 GLN H 4.120 . 4.120 3.734 3.331 4.072 . 0 0 "[ . 1 . 2]" 1
241 1 26 LYS HA 1 29 GLN QG 5.780 . 5.780 3.255 2.307 3.843 . 0 0 "[ . 1 . 2]" 1
242 1 26 LYS QB 1 27 VAL HA 5.610 . 5.610 4.173 3.705 4.600 . 0 0 "[ . 1 . 2]" 1
243 1 26 LYS QB 1 27 VAL MG2 5.610 . 5.610 3.050 2.601 3.435 . 0 0 "[ . 1 . 2]" 1
244 1 26 LYS HB2 1 27 VAL H 3.990 . 3.990 3.305 2.318 4.037 0.047 12 0 "[ . 1 . 2]" 1
245 1 26 LYS HB3 1 27 VAL H 3.990 . 3.990 2.977 2.401 3.613 . 0 0 "[ . 1 . 2]" 1
246 1 26 LYS QD 1 27 VAL MG2 5.610 . 5.610 4.226 3.353 5.222 . 0 0 "[ . 1 . 2]" 1
247 1 26 LYS QG 1 27 VAL H 5.610 . 5.610 3.883 3.164 4.693 . 0 0 "[ . 1 . 2]" 1
248 1 26 LYS QG 1 27 VAL MG2 5.610 . 5.610 4.143 2.917 5.132 . 0 0 "[ . 1 . 2]" 1
249 1 27 VAL H 1 27 VAL HB 3.290 . 3.290 2.521 2.480 2.583 . 0 0 "[ . 1 . 2]" 1
250 1 27 VAL H 1 27 VAL MG1 4.160 . 4.160 3.824 3.811 3.870 . 0 0 "[ . 1 . 2]" 1
251 1 27 VAL H 1 27 VAL MG2 3.240 . 3.240 2.181 2.049 2.317 . 0 0 "[ . 1 . 2]" 1
252 1 27 VAL H 1 28 PHE H 3.420 . 3.420 2.603 2.476 2.680 . 0 0 "[ . 1 . 2]" 1
253 1 27 VAL H 1 29 GLN H 4.500 . 4.500 4.200 4.001 4.470 . 0 0 "[ . 1 . 2]" 1
254 1 27 VAL H 1 42 LEU MD1 4.830 . 4.830 3.950 3.704 4.368 . 0 0 "[ . 1 . 2]" 1
255 1 27 VAL HA 1 30 LYS H 3.990 . 3.990 3.505 2.961 3.881 . 0 0 "[ . 1 . 2]" 1
256 1 27 VAL HA 1 30 LYS HB2 5.780 . 5.780 2.977 2.425 4.432 . 0 0 "[ . 1 . 2]" 1
257 1 27 VAL HA 1 30 LYS HB3 5.780 . 5.780 4.226 2.028 4.939 . 0 0 "[ . 1 . 2]" 1
258 1 27 VAL HA 1 30 LYS QD 5.780 . 5.780 3.076 1.879 4.679 . 0 0 "[ . 1 . 2]" 1
259 1 27 VAL HA 1 30 LYS QE 5.780 . 5.780 4.192 2.050 5.410 . 0 0 "[ . 1 . 2]" 1
260 1 27 VAL HA 1 30 LYS QG 5.610 . 5.610 3.629 2.265 5.181 . 0 0 "[ . 1 . 2]" 1
261 1 27 VAL HA 1 31 THR H 4.480 . 4.480 3.998 3.753 4.160 . 0 0 "[ . 1 . 2]" 1
262 1 27 VAL HA 1 31 THR MG 5.780 . 5.780 3.809 3.521 4.434 . 0 0 "[ . 1 . 2]" 1
263 1 27 VAL HA 1 42 LEU MD1 5.780 . 5.780 5.124 4.913 5.300 . 0 0 "[ . 1 . 2]" 1
264 1 27 VAL HB 1 28 PHE H 3.800 . 3.800 2.865 2.667 3.178 . 0 0 "[ . 1 . 2]" 1
265 1 27 VAL HB 1 42 LEU MD1 5.780 . 5.780 3.415 2.976 3.861 . 0 0 "[ . 1 . 2]" 1
266 1 27 VAL HB 1 42 LEU MD2 5.780 . 5.780 2.564 2.052 3.213 . 0 0 "[ . 1 . 2]" 1
267 1 27 VAL HB 1 57 PHE QE 5.780 . 5.780 3.549 2.983 4.012 . 0 0 "[ . 1 . 2]" 1
268 1 27 VAL HB 1 57 PHE HZ 3.810 . 3.810 2.256 1.942 2.787 . 0 0 "[ . 1 . 2]" 1
269 1 27 VAL MG1 1 28 PHE H 4.280 . 4.280 3.644 3.412 3.847 . 0 0 "[ . 1 . 2]" 1
270 1 27 VAL MG1 1 30 LYS H 5.420 . 5.420 4.711 4.423 5.053 . 0 0 "[ . 1 . 2]" 1
271 1 27 VAL MG1 1 31 THR H 5.780 . 5.780 3.903 3.508 4.110 . 0 0 "[ . 1 . 2]" 1
272 1 27 VAL MG1 1 31 THR HA 5.780 . 5.780 5.639 5.430 5.923 0.143 9 0 "[ . 1 . 2]" 1
273 1 27 VAL MG1 1 34 PRO HA 5.780 . 5.780 3.710 3.238 4.269 . 0 0 "[ . 1 . 2]" 1
274 1 27 VAL MG1 1 34 PRO QB 5.510 . 5.510 2.415 2.133 3.027 . 0 0 "[ . 1 . 2]" 1
275 1 27 VAL MG1 1 34 PRO QG 5.620 . 5.620 3.139 1.987 4.631 . 0 0 "[ . 1 . 2]" 1
276 1 27 VAL MG1 1 57 PHE QE 5.780 . 5.780 3.096 2.391 3.670 . 0 0 "[ . 1 . 2]" 1
277 1 27 VAL MG1 1 57 PHE HZ 3.740 . 3.740 2.684 2.257 3.060 . 0 0 "[ . 1 . 2]" 1
278 1 27 VAL MG2 1 28 PHE H 4.610 . 4.610 3.976 3.873 4.108 . 0 0 "[ . 1 . 2]" 1
279 1 27 VAL MG2 1 30 LYS QD 5.780 . 5.780 3.823 2.554 5.422 . 0 0 "[ . 1 . 2]" 1
280 1 27 VAL MG2 1 42 LEU HB2 5.780 . 5.780 2.556 1.981 3.265 . 0 0 "[ . 1 . 2]" 1
281 1 27 VAL MG2 1 42 LEU HB3 5.780 . 5.780 3.970 3.542 4.493 . 0 0 "[ . 1 . 2]" 1
282 1 27 VAL MG2 1 42 LEU HG 5.780 . 5.780 4.133 3.954 4.321 . 0 0 "[ . 1 . 2]" 1
283 1 27 VAL MG2 1 57 PHE HZ 4.480 . 4.480 3.762 3.324 4.344 . 0 0 "[ . 1 . 2]" 1
284 1 28 PHE H 1 28 PHE HB2 3.640 . 3.640 2.534 2.429 2.614 . 0 0 "[ . 1 . 2]" 1
285 1 28 PHE H 1 28 PHE HB3 3.650 . 3.650 2.567 2.497 2.634 . 0 0 "[ . 1 . 2]" 1
286 1 28 PHE H 1 28 PHE QD 4.580 . 4.580 4.254 4.210 4.280 . 0 0 "[ . 1 . 2]" 1
287 1 28 PHE H 1 29 GLN H 3.640 . 3.640 2.698 2.610 2.784 . 0 0 "[ . 1 . 2]" 1
288 1 28 PHE H 1 56 TRP HH2 4.910 . 4.910 4.617 4.219 4.983 0.073 17 0 "[ . 1 . 2]" 1
289 1 28 PHE H 1 57 PHE QE 4.600 . 4.600 3.408 2.559 4.011 . 0 0 "[ . 1 . 2]" 1
290 1 28 PHE H 1 57 PHE HZ 4.250 . 4.250 3.423 3.072 3.820 . 0 0 "[ . 1 . 2]" 1
291 1 28 PHE HA 1 28 PHE QD 4.150 . 4.150 2.660 2.534 2.832 . 0 0 "[ . 1 . 2]" 1
292 1 28 PHE HA 1 31 THR MG 5.780 . 5.780 4.122 3.885 4.545 . 0 0 "[ . 1 . 2]" 1
293 1 28 PHE HA 1 57 PHE QD 4.850 . 4.850 3.821 3.255 4.545 . 0 0 "[ . 1 . 2]" 1
294 1 28 PHE HA 1 57 PHE QE 4.170 . 4.170 2.178 1.886 2.629 . 0 0 "[ . 1 . 2]" 1
295 1 28 PHE HB2 1 29 GLN H 5.780 . 5.780 3.997 3.902 4.062 . 0 0 "[ . 1 . 2]" 1
296 1 28 PHE HB2 1 56 TRP HE3 5.110 . 5.110 4.329 3.729 4.833 . 0 0 "[ . 1 . 2]" 1
297 1 28 PHE HB2 1 56 TRP HH2 4.300 . 4.300 3.164 2.657 3.916 . 0 0 "[ . 1 . 2]" 1
298 1 28 PHE HB2 1 56 TRP HZ3 4.070 . 4.070 2.062 1.750 2.575 . 0 0 "[ . 1 . 2]" 1
299 1 28 PHE HB2 1 57 PHE QE 4.640 . 4.640 2.630 1.932 3.352 . 0 0 "[ . 1 . 2]" 1
300 1 28 PHE HB3 1 29 GLN H 4.070 . 4.070 2.798 2.579 2.988 . 0 0 "[ . 1 . 2]" 1
301 1 28 PHE HB3 1 56 TRP HH2 4.550 . 4.550 3.215 2.778 3.702 . 0 0 "[ . 1 . 2]" 1
302 1 28 PHE HB3 1 56 TRP HZ3 5.780 . 5.780 3.385 2.817 3.830 . 0 0 "[ . 1 . 2]" 1
303 1 28 PHE QD 1 29 GLN H 4.790 . 4.790 3.951 3.497 4.339 . 0 0 "[ . 1 . 2]" 1
304 1 28 PHE QD 1 29 GLN HE21 4.460 . 4.460 2.516 1.802 3.575 . 0 0 "[ . 1 . 2]" 1
305 1 28 PHE QD 1 32 HIS HA 4.180 . 4.180 2.907 2.527 3.381 . 0 0 "[ . 1 . 2]" 1
306 1 28 PHE QD 1 32 HIS HD2 5.470 . 5.470 3.739 3.224 5.023 . 0 0 "[ . 1 . 2]" 1
307 1 28 PHE QD 1 57 PHE QD 4.010 . 4.010 2.180 1.753 2.528 . 0 0 "[ . 1 . 2]" 1
308 1 28 PHE QD 1 57 PHE QE 3.800 . 3.800 2.594 1.842 3.397 . 0 0 "[ . 1 . 2]" 1
309 1 28 PHE QE 1 32 HIS HA 4.680 . 4.680 3.423 3.119 3.882 . 0 0 "[ . 1 . 2]" 1
310 1 28 PHE QE 1 32 HIS QB 4.690 . 4.690 3.258 2.701 3.851 . 0 0 "[ . 1 . 2]" 1
311 1 28 PHE QE 1 57 PHE QD 4.640 . 4.640 3.499 3.237 4.088 . 0 0 "[ . 1 . 2]" 1
312 1 28 PHE QE 1 60 ARG QG 4.440 . 4.440 3.140 2.885 3.974 . 0 0 "[ . 1 . 2]" 1
313 1 28 PHE QE 1 61 ARG H 4.910 . 4.910 3.930 3.524 4.340 . 0 0 "[ . 1 . 2]" 1
314 1 28 PHE QE 1 61 ARG HA 4.400 . 4.400 3.528 3.158 4.306 . 0 0 "[ . 1 . 2]" 1
315 1 28 PHE QE 1 61 ARG HG2 4.110 . 4.110 2.647 2.076 3.718 . 0 0 "[ . 1 . 2]" 1
316 1 28 PHE QE 1 61 ARG HG3 4.110 . 4.110 2.464 1.725 4.195 0.085 15 0 "[ . 1 . 2]" 1
317 1 28 PHE QE 1 64 TRP QB 5.410 . 5.410 3.420 2.693 3.938 . 0 0 "[ . 1 . 2]" 1
318 1 28 PHE QE 1 64 TRP HD1 4.190 . 4.190 3.282 2.228 4.278 0.088 16 0 "[ . 1 . 2]" 1
319 1 28 PHE HZ 1 60 ARG HG2 4.900 . 4.900 4.455 3.929 5.064 0.164 9 0 "[ . 1 . 2]" 1
320 1 28 PHE HZ 1 60 ARG QG 4.300 . 4.300 3.289 2.803 4.403 0.103 15 0 "[ . 1 . 2]" 1
321 1 28 PHE HZ 1 60 ARG HG3 4.900 . 4.900 3.432 2.844 5.000 0.100 15 0 "[ . 1 . 2]" 1
322 1 28 PHE HZ 1 61 ARG HA 4.210 . 4.210 3.144 2.447 4.193 . 0 0 "[ . 1 . 2]" 1
323 1 28 PHE HZ 1 64 TRP H 5.120 . 5.120 4.691 4.137 5.196 0.076 9 0 "[ . 1 . 2]" 1
324 1 28 PHE HZ 1 64 TRP HB2 4.420 . 4.420 2.672 2.210 3.180 . 0 0 "[ . 1 . 2]" 1
325 1 28 PHE HZ 1 64 TRP QB 3.800 . 3.800 2.540 2.138 3.014 . 0 0 "[ . 1 . 2]" 1
326 1 28 PHE HZ 1 64 TRP HB3 4.420 . 4.420 3.344 2.463 4.203 . 0 0 "[ . 1 . 2]" 1
327 1 28 PHE HZ 1 64 TRP HD1 4.450 . 4.450 3.674 3.032 4.514 0.064 11 0 "[ . 1 . 2]" 1
328 1 29 GLN H 1 29 GLN HB2 3.700 . 3.700 2.574 2.494 2.684 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLN H 1 29 GLN QB 3.080 . 3.080 2.525 2.453 2.621 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLN H 1 29 GLN HB3 3.700 . 3.700 3.654 3.619 3.689 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLN H 1 29 GLN QG 3.390 . 3.390 2.322 2.171 2.431 . 0 0 "[ . 1 . 2]" 1
332 1 29 GLN H 1 30 LYS H 3.510 . 3.510 2.544 2.422 2.677 . 0 0 "[ . 1 . 2]" 1
333 1 29 GLN H 1 31 THR H 4.850 . 4.850 4.122 3.813 4.600 . 0 0 "[ . 1 . 2]" 1
334 1 29 GLN QB 1 30 LYS H 4.350 . 4.350 2.834 2.450 3.222 . 0 0 "[ . 1 . 2]" 1
335 1 30 LYS H 1 30 LYS QB 3.260 . 3.260 2.417 2.186 2.573 . 0 0 "[ . 1 . 2]" 1
336 1 30 LYS H 1 30 LYS QD 5.540 . 5.540 4.064 3.750 4.743 . 0 0 "[ . 1 . 2]" 1
337 1 30 LYS H 1 30 LYS QG 3.930 . 3.930 2.651 2.206 4.009 0.079 14 0 "[ . 1 . 2]" 1
338 1 30 LYS H 1 31 THR H 3.060 . 3.060 2.532 2.300 2.741 . 0 0 "[ . 1 . 2]" 1
339 1 30 LYS H 1 31 THR MG 5.780 . 5.780 4.292 4.111 4.457 . 0 0 "[ . 1 . 2]" 1
340 1 30 LYS HB2 1 31 THR H 3.840 . 3.840 2.735 2.174 3.868 0.028 7 0 "[ . 1 . 2]" 1
341 1 30 LYS HB2 1 31 THR MG 5.780 . 5.780 3.092 2.540 4.857 . 0 0 "[ . 1 . 2]" 1
342 1 30 LYS HB3 1 31 THR H 3.840 . 3.840 3.424 2.506 3.827 . 0 0 "[ . 1 . 2]" 1
343 1 30 LYS HB3 1 31 THR MG 5.780 . 5.780 3.392 2.602 3.861 . 0 0 "[ . 1 . 2]" 1
344 1 31 THR H 1 31 THR MG 3.420 . 3.420 2.513 2.296 2.694 . 0 0 "[ . 1 . 2]" 1
345 1 31 THR HA 1 33 TYR H 4.430 . 4.430 3.659 3.562 3.916 . 0 0 "[ . 1 . 2]" 1
346 1 31 THR HB 1 33 TYR H 4.870 . 4.870 4.329 4.108 4.735 . 0 0 "[ . 1 . 2]" 1
347 1 31 THR MG 1 33 TYR H 4.070 . 4.070 3.502 3.133 4.119 0.049 5 0 "[ . 1 . 2]" 1
348 1 31 THR MG 1 34 PRO HA 4.940 . 4.940 2.587 2.091 3.377 . 0 0 "[ . 1 . 2]" 1
349 1 31 THR MG 1 34 PRO QB 5.580 . 5.580 3.126 2.291 4.050 . 0 0 "[ . 1 . 2]" 1
350 1 31 THR MG 1 34 PRO HD2 5.780 . 5.780 4.805 4.212 5.756 . 0 0 "[ . 1 . 2]" 1
351 1 31 THR MG 1 34 PRO HD3 5.780 . 5.780 3.707 2.864 4.863 . 0 0 "[ . 1 . 2]" 1
352 1 31 THR MG 1 34 PRO QG 5.620 . 5.620 3.941 2.108 5.215 . 0 0 "[ . 1 . 2]" 1
353 1 31 THR MG 1 35 ASP H 4.470 . 4.470 3.769 2.940 4.376 . 0 0 "[ . 1 . 2]" 1
354 1 32 HIS H 1 33 TYR H 4.180 . 4.180 2.535 2.361 2.674 . 0 0 "[ . 1 . 2]" 1
355 1 32 HIS HA 1 32 HIS HD2 3.780 . 3.780 3.038 2.471 3.590 . 0 0 "[ . 1 . 2]" 1
356 1 32 HIS HA 1 57 PHE QD 5.500 . 5.500 3.742 2.774 4.609 . 0 0 "[ . 1 . 2]" 1
357 1 32 HIS QB 1 33 TYR QD 3.640 . 3.640 2.890 2.495 3.691 0.051 4 0 "[ . 1 . 2]" 1
358 1 32 HIS QB 1 33 TYR QE 4.000 . 4.000 3.526 3.078 4.062 0.062 14 0 "[ . 1 . 2]" 1
359 1 32 HIS QB 1 61 ARG QG 5.440 . 5.440 3.018 2.438 3.763 . 0 0 "[ . 1 . 2]" 1
360 1 32 HIS HB2 1 33 TYR QD 4.500 . 4.500 2.960 2.535 3.952 . 0 0 "[ . 1 . 2]" 1
361 1 32 HIS HB3 1 33 TYR QD 4.500 . 4.500 4.136 3.718 4.583 0.083 8 0 "[ . 1 . 2]" 1
362 1 33 TYR H 1 33 TYR HB2 4.340 . 4.340 3.191 2.511 3.898 . 0 0 "[ . 1 . 2]" 1
363 1 33 TYR H 1 33 TYR QB 3.610 . 3.610 2.878 2.471 3.359 . 0 0 "[ . 1 . 2]" 1
364 1 33 TYR H 1 33 TYR HB3 4.340 . 4.340 3.626 3.331 3.812 . 0 0 "[ . 1 . 2]" 1
365 1 33 TYR H 1 33 TYR QD 4.020 . 4.020 2.885 2.260 3.401 . 0 0 "[ . 1 . 2]" 1
366 1 33 TYR H 1 34 PRO HD2 4.830 . 4.830 4.549 4.022 4.939 0.109 16 0 "[ . 1 . 2]" 1
367 1 33 TYR H 1 34 PRO HD3 4.830 . 4.830 3.719 3.208 4.279 . 0 0 "[ . 1 . 2]" 1
368 1 33 TYR HA 1 33 TYR QD 3.980 . 3.980 3.290 2.447 3.790 . 0 0 "[ . 1 . 2]" 1
369 1 34 PRO HA 1 35 ASP H 2.990 . 2.990 2.191 2.135 2.278 . 0 0 "[ . 1 . 2]" 1
370 1 34 PRO HA 1 38 ALA MB 5.780 . 5.780 2.949 2.316 3.497 . 0 0 "[ . 1 . 2]" 1
371 1 34 PRO QB 1 39 ARG HA 5.780 . 5.780 3.761 3.101 4.366 . 0 0 "[ . 1 . 2]" 1
372 1 34 PRO QB 1 39 ARG QD 5.610 . 5.610 3.510 1.945 4.594 . 0 0 "[ . 1 . 2]" 1
373 1 34 PRO QB 1 39 ARG HG2 5.780 . 5.780 2.889 2.223 3.766 . 0 0 "[ . 1 . 2]" 1
374 1 34 PRO QB 1 39 ARG HG3 5.780 . 5.780 3.168 1.883 5.169 . 0 0 "[ . 1 . 2]" 1
375 1 34 PRO HD2 1 57 PHE QD 5.780 . 5.780 3.914 3.428 4.830 . 0 0 "[ . 1 . 2]" 1
376 1 34 PRO HD2 1 57 PHE QE 5.780 . 5.780 4.602 3.689 5.349 . 0 0 "[ . 1 . 2]" 1
377 1 34 PRO HD3 1 57 PHE QD 5.780 . 5.780 3.213 2.375 3.991 . 0 0 "[ . 1 . 2]" 1
378 1 34 PRO HD3 1 57 PHE QE 5.780 . 5.780 3.404 2.918 4.146 . 0 0 "[ . 1 . 2]" 1
379 1 34 PRO QG 1 39 ARG QD 5.000 . 5.000 3.510 2.436 5.012 0.012 3 0 "[ . 1 . 2]" 1
380 1 34 PRO QG 1 39 ARG QG 4.760 . 4.760 3.237 2.242 4.768 0.008 5 0 "[ . 1 . 2]" 1
381 1 34 PRO QG 1 57 PHE QE 5.620 . 5.620 3.135 2.562 3.663 . 0 0 "[ . 1 . 2]" 1
382 1 34 PRO QG 1 57 PHE HZ 4.700 . 4.700 3.544 2.779 4.454 . 0 0 "[ . 1 . 2]" 1
383 1 35 ASP H 1 35 ASP HB2 4.270 . 4.270 2.845 2.332 3.627 . 0 0 "[ . 1 . 2]" 1
384 1 35 ASP H 1 35 ASP QB 3.520 . 3.520 2.506 2.220 2.661 . 0 0 "[ . 1 . 2]" 1
385 1 35 ASP H 1 35 ASP HB3 4.270 . 4.270 3.284 2.631 3.632 . 0 0 "[ . 1 . 2]" 1
386 1 35 ASP H 1 38 ALA MB 3.450 . 3.450 2.475 2.104 3.010 . 0 0 "[ . 1 . 2]" 1
387 1 35 ASP HA 1 36 VAL H 3.390 . 3.390 2.537 2.377 2.723 . 0 0 "[ . 1 . 2]" 1
388 1 35 ASP HA 1 36 VAL MG1 5.780 . 5.780 4.381 4.035 4.658 . 0 0 "[ . 1 . 2]" 1
389 1 35 ASP QB 1 36 VAL H 3.180 . 3.180 2.358 2.025 2.875 . 0 0 "[ . 1 . 2]" 1
390 1 35 ASP QB 1 36 VAL MG1 5.610 . 5.610 3.209 2.812 3.718 . 0 0 "[ . 1 . 2]" 1
391 1 35 ASP QB 1 37 TYR H 4.850 . 4.850 3.083 2.633 3.556 . 0 0 "[ . 1 . 2]" 1
392 1 35 ASP HB2 1 36 VAL H 3.860 . 3.860 3.168 2.046 3.832 . 0 0 "[ . 1 . 2]" 1
393 1 35 ASP HB3 1 36 VAL H 3.860 . 3.860 2.830 2.045 3.741 . 0 0 "[ . 1 . 2]" 1
394 1 36 VAL H 1 36 VAL HB 3.310 . 3.310 2.527 2.381 2.659 . 0 0 "[ . 1 . 2]" 1
395 1 36 VAL H 1 36 VAL MG1 3.440 . 3.440 2.205 2.011 2.334 . 0 0 "[ . 1 . 2]" 1
396 1 36 VAL H 1 36 VAL MG2 3.870 . 3.870 3.827 3.775 3.869 . 0 0 "[ . 1 . 2]" 1
397 1 36 VAL H 1 37 TYR H 3.850 . 3.850 2.886 2.708 3.096 . 0 0 "[ . 1 . 2]" 1
398 1 36 VAL HA 1 38 ALA H 5.780 . 5.780 4.594 4.369 4.755 . 0 0 "[ . 1 . 2]" 1
399 1 36 VAL HA 1 39 ARG H 4.340 . 4.340 3.640 3.196 3.958 . 0 0 "[ . 1 . 2]" 1
400 1 36 VAL HA 1 39 ARG HB2 5.780 . 5.780 2.985 2.471 3.841 . 0 0 "[ . 1 . 2]" 1
401 1 36 VAL HA 1 39 ARG HB3 5.780 . 5.780 4.504 3.985 5.163 . 0 0 "[ . 1 . 2]" 1
402 1 36 VAL HB 1 37 TYR H 4.150 . 4.150 3.986 3.914 4.083 . 0 0 "[ . 1 . 2]" 1
403 1 36 VAL MG1 1 37 TYR H 3.380 . 3.380 2.152 1.956 2.343 . 0 0 "[ . 1 . 2]" 1
404 1 36 VAL MG1 1 37 TYR HA 5.780 . 5.780 3.423 3.263 3.571 . 0 0 "[ . 1 . 2]" 1
405 1 36 VAL MG1 1 37 TYR QB 5.780 . 5.780 2.849 2.605 3.142 . 0 0 "[ . 1 . 2]" 1
406 1 36 VAL MG1 1 37 TYR QD 4.110 . 4.110 4.213 3.840 4.342 0.232 7 0 "[ . 1 . 2]" 1
407 1 36 VAL MG1 1 38 ALA H 5.780 . 5.780 4.307 4.154 4.458 . 0 0 "[ . 1 . 2]" 1
408 1 36 VAL MG1 1 39 ARG H 5.780 . 5.780 5.078 4.863 5.269 . 0 0 "[ . 1 . 2]" 1
409 1 36 VAL MG1 1 39 ARG HB2 5.780 . 5.780 5.303 4.839 5.763 . 0 0 "[ . 1 . 2]" 1
410 1 36 VAL MG1 1 40 GLU H 5.780 . 5.780 5.320 5.094 5.690 . 0 0 "[ . 1 . 2]" 1
411 1 36 VAL MG1 1 40 GLU HG2 5.780 . 5.780 4.634 3.887 5.897 0.117 11 0 "[ . 1 . 2]" 1
412 1 36 VAL MG1 1 40 GLU HG3 5.780 . 5.780 4.780 4.240 5.430 . 0 0 "[ . 1 . 2]" 1
413 1 36 VAL MG2 1 37 TYR H 4.560 . 4.560 3.675 3.351 3.921 . 0 0 "[ . 1 . 2]" 1
414 1 36 VAL MG2 1 39 ARG H 5.780 . 5.780 4.848 4.490 5.112 . 0 0 "[ . 1 . 2]" 1
415 1 36 VAL MG2 1 39 ARG HB2 5.780 . 5.780 3.923 3.238 4.425 . 0 0 "[ . 1 . 2]" 1
416 1 36 VAL MG2 1 40 GLU H 5.780 . 5.780 4.464 4.185 5.055 . 0 0 "[ . 1 . 2]" 1
417 1 36 VAL MG2 1 40 GLU HG2 5.780 . 5.780 3.279 2.394 4.227 . 0 0 "[ . 1 . 2]" 1
418 1 36 VAL MG2 1 40 GLU HG3 5.780 . 5.780 3.668 2.736 4.611 . 0 0 "[ . 1 . 2]" 1
419 1 36 VAL MG2 1 50 GLU QG 5.610 . 5.610 4.569 3.455 5.676 0.066 8 0 "[ . 1 . 2]" 1
420 1 37 TYR H 1 37 TYR QB 3.160 . 3.160 2.272 2.193 2.344 . 0 0 "[ . 1 . 2]" 1
421 1 37 TYR H 1 37 TYR QD 4.350 . 4.350 4.229 4.110 4.279 . 0 0 "[ . 1 . 2]" 1
422 1 37 TYR H 1 38 ALA H 3.350 . 3.350 2.564 2.447 2.746 . 0 0 "[ . 1 . 2]" 1
423 1 37 TYR H 1 39 ARG H 4.480 . 4.480 4.004 3.810 4.301 . 0 0 "[ . 1 . 2]" 1
424 1 37 TYR HA 1 37 TYR QD 3.300 . 3.300 2.688 2.366 2.948 . 0 0 "[ . 1 . 2]" 1
425 1 37 TYR HA 1 37 TYR QE 4.820 . 4.820 4.564 4.444 4.654 . 0 0 "[ . 1 . 2]" 1
426 1 37 TYR HA 1 40 GLU H 4.240 . 4.240 3.294 2.944 3.559 . 0 0 "[ . 1 . 2]" 1
427 1 37 TYR HA 1 40 GLU HB2 5.780 . 5.780 2.801 2.259 3.385 . 0 0 "[ . 1 . 2]" 1
428 1 37 TYR HA 1 40 GLU HB3 5.780 . 5.780 4.279 3.729 4.731 . 0 0 "[ . 1 . 2]" 1
429 1 37 TYR HA 1 40 GLU HG2 5.780 . 5.780 2.999 1.960 4.721 . 0 0 "[ . 1 . 2]" 1
430 1 37 TYR HA 1 40 GLU HG3 5.780 . 5.780 3.033 2.625 3.384 . 0 0 "[ . 1 . 2]" 1
431 1 37 TYR HA 1 41 GLN H 4.770 . 4.770 4.272 3.916 4.771 0.001 20 0 "[ . 1 . 2]" 1
432 1 37 TYR QB 1 38 ALA H 3.460 . 3.460 2.669 2.542 2.873 . 0 0 "[ . 1 . 2]" 1
433 1 37 TYR QD 1 38 ALA H 4.150 . 4.150 3.975 3.790 4.224 0.074 18 0 "[ . 1 . 2]" 1
434 1 37 TYR QD 1 38 ALA HA 4.350 . 4.350 4.047 3.767 4.379 0.029 14 0 "[ . 1 . 2]" 1
435 1 37 TYR QD 1 38 ALA MB 4.870 . 4.870 4.404 4.011 4.809 . 0 0 "[ . 1 . 2]" 1
436 1 37 TYR QD 1 41 GLN HG2 4.920 . 4.920 4.211 3.560 4.966 0.046 19 0 "[ . 1 . 2]" 1
437 1 37 TYR QD 1 41 GLN HG3 4.920 . 4.920 3.876 3.324 4.823 . 0 0 "[ . 1 . 2]" 1
438 1 37 TYR QE 1 41 GLN HG2 4.750 . 4.750 3.939 3.121 4.600 . 0 0 "[ . 1 . 2]" 1
439 1 37 TYR QE 1 41 GLN QG 3.930 . 3.930 3.357 2.646 3.997 0.067 20 0 "[ . 1 . 2]" 1
440 1 37 TYR QE 1 41 GLN HG3 4.750 . 4.750 3.670 2.859 4.390 . 0 0 "[ . 1 . 2]" 1
441 1 38 ALA H 1 38 ALA MB 3.010 . 3.010 2.257 2.245 2.272 . 0 0 "[ . 1 . 2]" 1
442 1 38 ALA H 1 39 ARG H 3.380 . 3.380 2.691 2.591 2.770 . 0 0 "[ . 1 . 2]" 1
443 1 38 ALA HA 1 41 GLN H 4.020 . 4.020 3.725 3.306 4.126 0.106 14 0 "[ . 1 . 2]" 1
444 1 38 ALA HA 1 41 GLN QB 5.540 . 5.540 3.098 2.568 3.752 . 0 0 "[ . 1 . 2]" 1
445 1 38 ALA HA 1 41 GLN HG2 5.780 . 5.780 4.334 2.744 5.682 . 0 0 "[ . 1 . 2]" 1
446 1 38 ALA HA 1 41 GLN HG3 5.780 . 5.780 3.823 3.057 4.712 . 0 0 "[ . 1 . 2]" 1
447 1 38 ALA MB 1 39 ARG H 3.510 . 3.510 2.700 2.474 2.895 . 0 0 "[ . 1 . 2]" 1
448 1 38 ALA MB 1 39 ARG HB2 5.780 . 5.780 4.752 4.392 4.993 . 0 0 "[ . 1 . 2]" 1
449 1 38 ALA MB 1 39 ARG QG 5.610 . 5.610 3.350 2.987 3.758 . 0 0 "[ . 1 . 2]" 1
450 1 38 ALA MB 1 41 GLN QG 5.610 . 5.610 4.757 3.918 5.290 . 0 0 "[ . 1 . 2]" 1
451 1 38 ALA MB 1 42 LEU H 5.510 . 5.510 4.698 4.274 5.079 . 0 0 "[ . 1 . 2]" 1
452 1 39 ARG H 1 39 ARG HB2 3.620 . 3.620 2.509 2.385 2.678 . 0 0 "[ . 1 . 2]" 1
453 1 39 ARG H 1 39 ARG HB3 4.160 . 4.160 3.633 3.607 3.655 . 0 0 "[ . 1 . 2]" 1
454 1 39 ARG H 1 39 ARG HD2 5.780 . 5.780 4.408 3.458 5.010 . 0 0 "[ . 1 . 2]" 1
455 1 39 ARG H 1 39 ARG HD3 5.780 . 5.780 4.528 3.635 4.998 . 0 0 "[ . 1 . 2]" 1
456 1 39 ARG H 1 39 ARG HG2 4.160 . 4.160 3.189 2.168 3.745 . 0 0 "[ . 1 . 2]" 1
457 1 39 ARG H 1 39 ARG QG 3.420 . 3.420 2.310 2.003 2.492 . 0 0 "[ . 1 . 2]" 1
458 1 39 ARG H 1 39 ARG HG3 4.160 . 4.160 2.749 2.020 3.785 . 0 0 "[ . 1 . 2]" 1
459 1 39 ARG HA 1 42 LEU H 4.280 . 4.280 3.669 3.182 4.070 . 0 0 "[ . 1 . 2]" 1
460 1 39 ARG HA 1 42 LEU HB2 5.780 . 5.780 3.733 3.139 4.442 . 0 0 "[ . 1 . 2]" 1
461 1 39 ARG HA 1 42 LEU HB3 5.780 . 5.780 2.594 2.070 3.240 . 0 0 "[ . 1 . 2]" 1
462 1 39 ARG HA 1 42 LEU MD1 5.780 . 5.780 5.226 4.732 5.848 0.068 8 0 "[ . 1 . 2]" 1
463 1 39 ARG HA 1 42 LEU MD2 5.780 . 5.780 3.259 2.793 3.962 . 0 0 "[ . 1 . 2]" 1
464 1 39 ARG HA 1 42 LEU HG 5.780 . 5.780 4.622 4.186 5.298 . 0 0 "[ . 1 . 2]" 1
465 1 39 ARG HA 1 43 ALA H 4.710 . 4.710 3.874 3.427 4.272 . 0 0 "[ . 1 . 2]" 1
466 1 39 ARG HA 1 53 VAL MG1 5.780 . 5.780 2.942 1.992 3.838 . 0 0 "[ . 1 . 2]" 1
467 1 39 ARG HB2 1 40 GLU H 3.230 . 3.230 2.762 2.462 3.165 . 0 0 "[ . 1 . 2]" 1
468 1 39 ARG HB3 1 40 GLU H 4.620 . 4.620 3.777 3.503 4.065 . 0 0 "[ . 1 . 2]" 1
469 1 39 ARG HB3 1 53 VAL MG1 5.780 . 5.780 3.324 2.288 4.215 . 0 0 "[ . 1 . 2]" 1
470 1 39 ARG HD2 1 53 VAL MG1 5.780 . 5.780 3.855 2.180 5.747 . 0 0 "[ . 1 . 2]" 1
471 1 39 ARG HD3 1 53 VAL MG1 5.780 . 5.780 3.563 2.071 4.714 . 0 0 "[ . 1 . 2]" 1
472 1 39 ARG HG2 1 53 VAL MG1 5.780 . 5.780 3.307 2.151 5.294 . 0 0 "[ . 1 . 2]" 1
473 1 39 ARG HG3 1 53 VAL MG1 5.780 . 5.780 4.292 3.616 4.982 . 0 0 "[ . 1 . 2]" 1
474 1 40 GLU H 1 40 GLU QB 3.420 . 3.420 2.476 2.285 2.614 . 0 0 "[ . 1 . 2]" 1
475 1 40 GLU H 1 40 GLU QG 3.660 . 3.660 2.307 2.080 2.655 . 0 0 "[ . 1 . 2]" 1
476 1 40 GLU H 1 41 GLN H 3.370 . 3.370 2.807 2.665 2.907 . 0 0 "[ . 1 . 2]" 1
477 1 40 GLU H 1 43 ALA MB 4.990 . 4.990 4.654 4.370 4.882 . 0 0 "[ . 1 . 2]" 1
478 1 40 GLU HA 1 43 ALA H 4.110 . 4.110 3.730 3.350 4.167 0.057 20 0 "[ . 1 . 2]" 1
479 1 40 GLU HA 1 43 ALA MB 5.040 . 5.040 2.852 2.347 3.398 . 0 0 "[ . 1 . 2]" 1
480 1 40 GLU QB 1 41 GLN H 3.170 . 3.170 2.352 2.172 2.546 . 0 0 "[ . 1 . 2]" 1
481 1 40 GLU HB2 1 41 GLN H 3.780 . 3.780 2.400 2.201 2.639 . 0 0 "[ . 1 . 2]" 1
482 1 40 GLU HB3 1 41 GLN H 3.780 . 3.780 3.406 3.162 3.626 . 0 0 "[ . 1 . 2]" 1
483 1 40 GLU QG 1 41 GLN H 5.610 . 5.610 4.007 3.794 4.259 . 0 0 "[ . 1 . 2]" 1
484 1 41 GLN H 1 41 GLN QB 3.460 . 3.460 2.488 2.371 2.587 . 0 0 "[ . 1 . 2]" 1
485 1 41 GLN H 1 41 GLN HG2 3.550 . 3.550 2.671 2.107 3.564 0.014 17 0 "[ . 1 . 2]" 1
486 1 41 GLN H 1 41 GLN QG 3.100 . 3.100 2.154 1.920 2.340 . 0 0 "[ . 1 . 2]" 1
487 1 41 GLN H 1 41 GLN HG3 3.550 . 3.550 3.015 1.936 3.669 0.119 11 0 "[ . 1 . 2]" 1
488 1 41 GLN H 1 42 LEU H 3.410 . 3.410 2.768 2.625 2.887 . 0 0 "[ . 1 . 2]" 1
489 1 41 GLN HA 1 44 MET H 3.900 . 3.900 3.758 3.363 3.978 0.078 12 0 "[ . 1 . 2]" 1
490 1 41 GLN HA 1 44 MET QB 5.780 . 5.780 3.219 2.648 4.544 . 0 0 "[ . 1 . 2]" 1
491 1 41 GLN QB 1 42 LEU H 3.580 . 3.580 2.483 2.250 2.729 . 0 0 "[ . 1 . 2]" 1
492 1 41 GLN QG 1 42 LEU H 4.430 . 4.430 4.025 3.847 4.206 . 0 0 "[ . 1 . 2]" 1
493 1 42 LEU H 1 42 LEU HB2 3.590 . 3.590 2.513 2.403 2.576 . 0 0 "[ . 1 . 2]" 1
494 1 42 LEU H 1 42 LEU HB3 3.710 . 3.710 2.459 2.362 2.523 . 0 0 "[ . 1 . 2]" 1
495 1 42 LEU H 1 42 LEU MD1 4.570 . 4.570 4.175 4.088 4.235 . 0 0 "[ . 1 . 2]" 1
496 1 42 LEU H 1 42 LEU MD2 4.340 . 4.340 4.258 4.213 4.325 . 0 0 "[ . 1 . 2]" 1
497 1 42 LEU H 1 42 LEU HG 4.570 . 4.570 4.512 4.445 4.557 . 0 0 "[ . 1 . 2]" 1
498 1 42 LEU H 1 43 ALA H 3.400 . 3.400 2.732 2.617 2.900 . 0 0 "[ . 1 . 2]" 1
499 1 42 LEU H 1 43 ALA MB 5.780 . 5.780 4.412 4.262 4.569 . 0 0 "[ . 1 . 2]" 1
500 1 42 LEU HA 1 45 ARG H 4.140 . 4.140 3.546 3.069 4.092 . 0 0 "[ . 1 . 2]" 1
501 1 42 LEU HA 1 45 ARG QB 5.610 . 5.610 2.727 2.184 3.501 . 0 0 "[ . 1 . 2]" 1
502 1 42 LEU HA 1 45 ARG QG 5.780 . 5.780 3.318 2.492 4.085 . 0 0 "[ . 1 . 2]" 1
503 1 42 LEU HA 1 46 THR MG 5.780 . 5.780 3.742 3.407 3.981 . 0 0 "[ . 1 . 2]" 1
504 1 42 LEU HB2 1 43 ALA H 5.780 . 5.780 3.941 3.762 4.043 . 0 0 "[ . 1 . 2]" 1
505 1 42 LEU HB3 1 43 ALA H 3.550 . 3.550 2.655 2.354 2.816 . 0 0 "[ . 1 . 2]" 1
506 1 42 LEU HB3 1 53 VAL MG1 5.780 . 5.780 3.340 2.747 3.766 . 0 0 "[ . 1 . 2]" 1
507 1 42 LEU HB3 1 53 VAL MG2 5.780 . 5.780 3.721 3.121 4.280 . 0 0 "[ . 1 . 2]" 1
508 1 42 LEU MD1 1 43 ALA HA 5.780 . 5.780 4.687 4.512 4.918 . 0 0 "[ . 1 . 2]" 1
509 1 42 LEU MD1 1 45 ARG H 5.780 . 5.780 4.530 3.948 5.125 . 0 0 "[ . 1 . 2]" 1
510 1 42 LEU MD1 1 45 ARG QG 5.780 . 5.780 4.075 2.840 5.075 . 0 0 "[ . 1 . 2]" 1
511 1 42 LEU MD1 1 46 THR H 4.610 . 4.610 3.884 3.436 4.293 . 0 0 "[ . 1 . 2]" 1
512 1 42 LEU MD1 1 46 THR HG1 5.780 . 5.780 3.213 2.825 3.620 . 0 0 "[ . 1 . 2]" 1
513 1 42 LEU MD1 1 57 PHE QE 5.780 . 5.780 4.189 3.752 4.441 . 0 0 "[ . 1 . 2]" 1
514 1 42 LEU MD1 1 57 PHE HZ 4.460 . 4.460 4.285 3.968 4.496 0.036 7 0 "[ . 1 . 2]" 1
515 1 42 LEU MD2 1 43 ALA H 4.960 . 4.960 4.459 4.162 4.664 . 0 0 "[ . 1 . 2]" 1
516 1 42 LEU MD2 1 43 ALA HA 5.780 . 5.780 5.077 4.849 5.261 . 0 0 "[ . 1 . 2]" 1
517 1 42 LEU MD2 1 53 VAL HA 5.780 . 5.780 4.304 3.571 4.835 . 0 0 "[ . 1 . 2]" 1
518 1 42 LEU MD2 1 57 PHE QD 4.840 . 4.840 3.934 3.632 4.365 . 0 0 "[ . 1 . 2]" 1
519 1 42 LEU MD2 1 57 PHE QE 3.920 . 3.920 2.097 1.890 2.481 . 0 0 "[ . 1 . 2]" 1
520 1 42 LEU MD2 1 57 PHE HZ 3.980 . 3.980 2.604 2.279 2.965 . 0 0 "[ . 1 . 2]" 1
521 1 42 LEU HG 1 43 ALA H 4.600 . 4.600 3.838 3.569 4.021 . 0 0 "[ . 1 . 2]" 1
522 1 42 LEU HG 1 43 ALA HA 5.780 . 5.780 3.899 3.668 4.128 . 0 0 "[ . 1 . 2]" 1
523 1 42 LEU HG 1 53 VAL MG1 5.780 . 5.780 3.211 2.834 3.531 . 0 0 "[ . 1 . 2]" 1
524 1 43 ALA H 1 43 ALA MB 3.040 . 3.040 2.261 2.242 2.301 . 0 0 "[ . 1 . 2]" 1
525 1 43 ALA H 1 44 MET H 3.440 . 3.440 2.706 2.544 2.893 . 0 0 "[ . 1 . 2]" 1
526 1 43 ALA H 1 45 ARG H 4.880 . 4.880 4.161 3.815 4.520 . 0 0 "[ . 1 . 2]" 1
527 1 43 ALA H 1 53 VAL MG1 4.710 . 4.710 4.571 4.027 4.793 0.083 3 0 "[ . 1 . 2]" 1
528 1 43 ALA H 1 53 VAL MG2 5.400 . 5.400 3.734 2.908 4.078 . 0 0 "[ . 1 . 2]" 1
529 1 43 ALA HA 1 46 THR H 4.550 . 4.550 3.639 3.076 4.043 . 0 0 "[ . 1 . 2]" 1
530 1 43 ALA HA 1 46 THR HG1 5.510 . 5.510 2.664 2.188 3.320 . 0 0 "[ . 1 . 2]" 1
531 1 43 ALA HA 1 47 ASP H 5.780 . 5.780 4.093 3.487 4.465 . 0 0 "[ . 1 . 2]" 1
532 1 43 ALA HA 1 48 LEU H 3.810 . 3.810 3.058 2.610 3.507 . 0 0 "[ . 1 . 2]" 1
533 1 43 ALA HA 1 48 LEU HB2 5.780 . 5.780 3.039 2.341 3.643 . 0 0 "[ . 1 . 2]" 1
534 1 43 ALA HA 1 48 LEU HB3 5.780 . 5.780 4.565 3.868 5.075 . 0 0 "[ . 1 . 2]" 1
535 1 43 ALA HA 1 48 LEU MD1 5.780 . 5.780 4.380 3.664 5.087 . 0 0 "[ . 1 . 2]" 1
536 1 43 ALA HA 1 53 VAL MG2 5.520 . 5.520 2.971 2.520 3.464 . 0 0 "[ . 1 . 2]" 1
537 1 43 ALA MB 1 44 MET H 3.360 . 3.360 2.676 2.385 2.917 . 0 0 "[ . 1 . 2]" 1
538 1 43 ALA MB 1 44 MET HA 5.780 . 5.780 3.999 3.839 4.168 . 0 0 "[ . 1 . 2]" 1
539 1 43 ALA MB 1 44 MET QB 5.780 . 5.780 4.358 3.862 4.644 . 0 0 "[ . 1 . 2]" 1
540 1 43 ALA MB 1 46 THR HG1 5.780 . 5.780 4.278 3.882 4.823 . 0 0 "[ . 1 . 2]" 1
541 1 43 ALA MB 1 48 LEU H 5.780 . 5.780 3.832 3.122 4.489 . 0 0 "[ . 1 . 2]" 1
542 1 43 ALA MB 1 49 THR HA 5.780 . 5.780 3.511 2.847 4.397 . 0 0 "[ . 1 . 2]" 1
543 1 43 ALA MB 1 50 GLU HA 5.780 . 5.780 3.509 2.787 4.615 . 0 0 "[ . 1 . 2]" 1
544 1 43 ALA MB 1 50 GLU QB 5.610 . 5.610 4.195 2.892 5.730 0.120 3 0 "[ . 1 . 2]" 1
545 1 43 ALA MB 1 50 GLU QG 5.610 . 5.610 4.107 2.648 5.658 0.048 10 0 "[ . 1 . 2]" 1
546 1 43 ALA MB 1 53 VAL H 5.780 . 5.780 5.117 4.570 5.611 . 0 0 "[ . 1 . 2]" 1
547 1 43 ALA MB 1 53 VAL HB 5.780 . 5.780 4.410 3.972 4.972 . 0 0 "[ . 1 . 2]" 1
548 1 43 ALA MB 1 53 VAL MG1 5.780 . 5.780 4.088 3.544 4.625 . 0 0 "[ . 1 . 2]" 1
549 1 43 ALA MB 1 53 VAL MG2 4.760 . 4.760 2.589 2.105 3.267 . 0 0 "[ . 1 . 2]" 1
550 1 44 MET H 1 44 MET QB 3.040 . 3.040 2.476 2.381 2.770 . 0 0 "[ . 1 . 2]" 1
551 1 44 MET H 1 44 MET HG2 4.490 . 4.490 3.005 2.195 3.761 . 0 0 "[ . 1 . 2]" 1
552 1 44 MET H 1 44 MET QG 3.650 . 3.650 2.356 2.033 2.564 . 0 0 "[ . 1 . 2]" 1
553 1 44 MET H 1 44 MET HG3 4.490 . 4.490 3.044 2.044 3.944 . 0 0 "[ . 1 . 2]" 1
554 1 44 MET QB 1 45 ARG H 3.530 . 3.530 2.880 2.420 3.625 0.095 17 0 "[ . 1 . 2]" 1
555 1 45 ARG H 1 45 ARG HB2 3.690 . 3.690 2.438 2.071 2.620 . 0 0 "[ . 1 . 2]" 1
556 1 45 ARG H 1 45 ARG QB 3.220 . 3.220 2.400 2.049 2.566 . 0 0 "[ . 1 . 2]" 1
557 1 45 ARG H 1 45 ARG HB3 3.690 . 3.690 3.602 3.251 3.674 . 0 0 "[ . 1 . 2]" 1
558 1 45 ARG H 1 45 ARG QG 3.430 . 3.430 2.513 2.198 3.473 0.043 12 0 "[ . 1 . 2]" 1
559 1 45 ARG H 1 46 THR H 3.360 . 3.360 2.661 2.352 2.885 . 0 0 "[ . 1 . 2]" 1
560 1 45 ARG H 1 46 THR HG1 4.880 . 4.880 4.583 4.179 4.809 . 0 0 "[ . 1 . 2]" 1
561 1 45 ARG H 1 46 THR MG 5.150 . 5.150 4.307 4.055 4.544 . 0 0 "[ . 1 . 2]" 1
562 1 45 ARG HB2 1 46 THR H 4.610 . 4.610 2.675 2.291 3.196 . 0 0 "[ . 1 . 2]" 1
563 1 45 ARG HB2 1 46 THR MG 5.780 . 5.780 2.952 2.427 3.701 . 0 0 "[ . 1 . 2]" 1
564 1 45 ARG HB3 1 46 THR H 4.610 . 4.610 3.506 2.611 3.927 . 0 0 "[ . 1 . 2]" 1
565 1 45 ARG HB3 1 46 THR MG 5.780 . 5.780 3.420 2.510 4.071 . 0 0 "[ . 1 . 2]" 1
566 1 45 ARG QG 1 46 THR H 4.550 . 4.550 4.188 4.008 4.563 0.013 18 0 "[ . 1 . 2]" 1
567 1 45 ARG QG 1 46 THR MG 5.780 . 5.780 4.482 3.981 4.946 . 0 0 "[ . 1 . 2]" 1
568 1 46 THR H 1 46 THR HB 4.260 . 4.260 3.685 3.640 3.798 . 0 0 "[ . 1 . 2]" 1
569 1 46 THR H 1 46 THR HG1 3.190 . 3.190 2.594 2.484 2.700 . 0 0 "[ . 1 . 2]" 1
570 1 46 THR H 1 46 THR MG 3.650 . 3.650 2.506 2.295 2.907 . 0 0 "[ . 1 . 2]" 1
571 1 46 THR H 1 47 ASP H 3.260 . 3.260 2.433 1.972 2.569 . 0 0 "[ . 1 . 2]" 1
572 1 46 THR H 1 48 LEU H 4.240 . 4.240 3.798 3.436 4.284 0.044 4 0 "[ . 1 . 2]" 1
573 1 46 THR HB 1 47 ASP H 4.430 . 4.430 4.187 4.026 4.356 . 0 0 "[ . 1 . 2]" 1
574 1 46 THR HB 1 48 LEU H 4.770 . 4.770 3.657 3.260 4.567 . 0 0 "[ . 1 . 2]" 1
575 1 46 THR HB 1 48 LEU MD1 5.780 . 5.780 2.545 2.294 2.926 . 0 0 "[ . 1 . 2]" 1
576 1 46 THR HB 1 48 LEU HG 5.780 . 5.780 2.387 2.130 2.704 . 0 0 "[ . 1 . 2]" 1
577 1 46 THR HG1 1 47 ASP H 4.280 . 4.280 3.963 3.668 4.286 0.006 11 0 "[ . 1 . 2]" 1
578 1 46 THR HG1 1 48 LEU H 4.450 . 4.450 3.362 3.063 4.020 . 0 0 "[ . 1 . 2]" 1
579 1 46 THR HG1 1 48 LEU MD1 5.780 . 5.780 3.032 2.730 3.325 . 0 0 "[ . 1 . 2]" 1
580 1 46 THR MG 1 47 ASP H 5.780 . 5.780 4.223 4.106 4.351 . 0 0 "[ . 1 . 2]" 1
581 1 47 ASP H 1 47 ASP HA 2.910 . 2.910 2.256 2.236 2.272 . 0 0 "[ . 1 . 2]" 1
582 1 47 ASP H 1 47 ASP HB2 4.360 . 4.360 3.419 3.123 3.687 . 0 0 "[ . 1 . 2]" 1
583 1 47 ASP H 1 47 ASP QB 3.800 . 3.800 3.216 2.945 3.434 . 0 0 "[ . 1 . 2]" 1
584 1 47 ASP H 1 47 ASP HB3 4.360 . 4.360 3.921 3.606 4.155 . 0 0 "[ . 1 . 2]" 1
585 1 47 ASP H 1 48 LEU H 3.380 . 3.380 2.707 2.578 2.921 . 0 0 "[ . 1 . 2]" 1
586 1 47 ASP HA 1 48 LEU H 3.430 . 3.430 2.996 2.444 3.209 . 0 0 "[ . 1 . 2]" 1
587 1 47 ASP QB 1 48 LEU H 4.640 . 4.640 3.804 3.693 4.073 . 0 0 "[ . 1 . 2]" 1
588 1 47 ASP QB 1 48 LEU HG 4.920 . 4.920 4.415 4.053 4.636 . 0 0 "[ . 1 . 2]" 1
589 1 48 LEU H 1 48 LEU HB2 3.460 . 3.460 2.467 2.381 2.704 . 0 0 "[ . 1 . 2]" 1
590 1 48 LEU H 1 48 LEU HB3 3.980 . 3.980 3.664 3.626 3.826 . 0 0 "[ . 1 . 2]" 1
591 1 48 LEU H 1 48 LEU MD1 4.450 . 4.450 3.829 3.698 4.265 . 0 0 "[ . 1 . 2]" 1
592 1 48 LEU H 1 48 LEU MD2 4.920 . 4.920 3.725 3.454 4.075 . 0 0 "[ . 1 . 2]" 1
593 1 48 LEU H 1 48 LEU HG 3.860 . 3.860 2.764 2.530 3.379 . 0 0 "[ . 1 . 2]" 1
594 1 48 LEU H 1 53 VAL MG2 4.890 . 4.890 4.355 4.024 4.855 . 0 0 "[ . 1 . 2]" 1
595 1 48 LEU HA 1 48 LEU MD2 4.630 . 4.630 2.092 2.009 2.193 . 0 0 "[ . 1 . 2]" 1
596 1 48 LEU HA 1 49 THR H 3.530 . 3.530 2.343 2.185 2.524 . 0 0 "[ . 1 . 2]" 1
597 1 48 LEU HB2 1 49 THR H 4.120 . 4.120 3.795 3.392 4.103 . 0 0 "[ . 1 . 2]" 1
598 1 48 LEU HB2 1 53 VAL MG2 5.650 . 5.650 2.620 2.167 3.178 . 0 0 "[ . 1 . 2]" 1
599 1 48 LEU HB3 1 49 THR H 3.330 . 3.330 2.628 2.134 3.103 . 0 0 "[ . 1 . 2]" 1
600 1 48 LEU HB3 1 53 VAL H 4.510 . 4.510 3.782 3.352 4.196 . 0 0 "[ . 1 . 2]" 1
601 1 48 LEU HB3 1 53 VAL HA 5.780 . 5.780 4.654 4.074 5.241 . 0 0 "[ . 1 . 2]" 1
602 1 48 LEU HB3 1 53 VAL MG2 5.440 . 5.440 2.849 2.256 3.485 . 0 0 "[ . 1 . 2]" 1
603 1 48 LEU MD1 1 49 THR H 4.960 . 4.960 4.622 4.176 5.034 0.074 5 0 "[ . 1 . 2]" 1
604 1 48 LEU MD1 1 53 VAL HA 5.780 . 5.780 3.561 2.937 4.194 . 0 0 "[ . 1 . 2]" 1
605 1 48 LEU MD1 1 53 VAL MG2 4.910 . 4.910 2.845 2.281 3.420 . 0 0 "[ . 1 . 2]" 1
606 1 48 LEU MD2 1 49 THR H 4.140 . 4.140 3.407 3.144 3.671 . 0 0 "[ . 1 . 2]" 1
607 1 48 LEU MD2 1 52 ARG HB2 5.780 . 5.780 3.599 2.613 4.867 . 0 0 "[ . 1 . 2]" 1
608 1 48 LEU MD2 1 52 ARG HB3 5.780 . 5.780 3.000 2.078 3.999 . 0 0 "[ . 1 . 2]" 1
609 1 48 LEU MD2 1 52 ARG HD2 5.780 . 5.780 4.150 1.981 5.788 0.008 18 0 "[ . 1 . 2]" 1
610 1 48 LEU MD2 1 52 ARG HD3 5.780 . 5.780 3.679 1.873 4.893 . 0 0 "[ . 1 . 2]" 1
611 1 48 LEU MD2 1 52 ARG HG2 5.780 . 5.780 2.796 1.691 4.258 . 0 0 "[ . 1 . 2]" 1
612 1 48 LEU MD2 1 52 ARG HG3 5.780 . 5.780 3.763 2.687 4.755 . 0 0 "[ . 1 . 2]" 1
613 1 49 THR H 1 52 ARG H 4.800 . 4.800 3.964 3.581 4.449 . 0 0 "[ . 1 . 2]" 1
614 1 49 THR H 1 52 ARG HB2 4.370 . 4.370 3.064 2.371 4.383 0.013 20 0 "[ . 1 . 2]" 1
615 1 49 THR H 1 52 ARG QB 3.690 . 3.690 2.710 2.350 3.114 . 0 0 "[ . 1 . 2]" 1
616 1 49 THR H 1 52 ARG HB3 4.370 . 4.370 3.621 2.622 4.413 0.043 15 0 "[ . 1 . 2]" 1
617 1 49 THR H 1 53 VAL MG2 5.780 . 5.780 4.126 3.425 4.560 . 0 0 "[ . 1 . 2]" 1
618 1 49 THR HB 1 51 ALA H 3.890 . 3.890 3.359 2.656 3.929 0.039 13 0 "[ . 1 . 2]" 1
619 1 49 THR HB 1 51 ALA MB 5.780 . 5.780 3.359 2.685 3.836 . 0 0 "[ . 1 . 2]" 1
620 1 49 THR HB 1 52 ARG H 4.540 . 4.540 3.071 2.450 4.129 . 0 0 "[ . 1 . 2]" 1
621 1 49 THR MG 1 50 GLU QB 5.610 . 5.610 3.734 2.796 5.165 . 0 0 "[ . 1 . 2]" 1
622 1 49 THR MG 1 51 ALA H 4.590 . 4.590 2.719 1.791 4.589 . 0 0 "[ . 1 . 2]" 1
623 1 49 THR MG 1 52 ARG H 4.550 . 4.550 3.602 2.603 4.628 0.078 1 0 "[ . 1 . 2]" 1
624 1 49 THR MG 1 52 ARG QB 5.610 . 5.610 4.129 3.362 4.959 . 0 0 "[ . 1 . 2]" 1
625 1 49 THR MG 1 52 ARG QD 5.610 . 5.610 4.399 2.924 5.641 0.031 4 0 "[ . 1 . 2]" 1
626 1 50 GLU HA 1 52 ARG H 4.840 . 4.840 4.527 4.138 4.873 0.033 3 0 "[ . 1 . 2]" 1
627 1 50 GLU HA 1 53 VAL H 5.780 . 5.780 3.561 3.177 3.858 . 0 0 "[ . 1 . 2]" 1
628 1 50 GLU HA 1 53 VAL HB 5.480 . 5.480 2.681 2.270 3.093 . 0 0 "[ . 1 . 2]" 1
629 1 50 GLU HA 1 53 VAL MG1 5.780 . 5.780 3.958 3.721 4.436 . 0 0 "[ . 1 . 2]" 1
630 1 50 GLU HA 1 53 VAL MG2 5.150 . 5.150 2.885 2.524 3.391 . 0 0 "[ . 1 . 2]" 1
631 1 50 GLU QB 1 51 ALA H 3.710 . 3.710 2.617 2.341 2.959 . 0 0 "[ . 1 . 2]" 1
632 1 50 GLU QB 1 51 ALA MB 5.610 . 5.610 3.953 3.690 4.230 . 0 0 "[ . 1 . 2]" 1
633 1 50 GLU HB2 1 51 ALA H 4.350 . 4.350 3.451 2.375 3.985 . 0 0 "[ . 1 . 2]" 1
634 1 50 GLU HB3 1 51 ALA H 4.350 . 4.350 2.997 2.374 3.895 . 0 0 "[ . 1 . 2]" 1
635 1 51 ALA H 1 51 ALA MB 3.160 . 3.160 2.238 2.224 2.263 . 0 0 "[ . 1 . 2]" 1
636 1 51 ALA H 1 52 ARG H 3.980 . 3.980 2.851 2.679 3.036 . 0 0 "[ . 1 . 2]" 1
637 1 51 ALA HA 1 54 GLN H 4.220 . 4.220 3.643 3.411 4.005 . 0 0 "[ . 1 . 2]" 1
638 1 51 ALA HA 1 54 GLN QB 5.430 . 5.430 2.793 2.232 3.293 . 0 0 "[ . 1 . 2]" 1
639 1 51 ALA HA 1 54 GLN HG2 5.780 . 5.780 4.660 2.785 5.671 . 0 0 "[ . 1 . 2]" 1
640 1 51 ALA HA 1 54 GLN HG3 5.780 . 5.780 3.977 2.712 5.840 0.060 14 0 "[ . 1 . 2]" 1
641 1 51 ALA HA 1 55 VAL MG2 5.780 . 5.780 3.905 3.241 4.432 . 0 0 "[ . 1 . 2]" 1
642 1 51 ALA MB 1 52 ARG H 3.490 . 3.490 2.489 2.196 2.748 . 0 0 "[ . 1 . 2]" 1
643 1 51 ALA MB 1 52 ARG HA 5.780 . 5.780 3.901 3.787 4.019 . 0 0 "[ . 1 . 2]" 1
644 1 51 ALA MB 1 54 GLN QB 5.780 . 5.780 4.090 3.650 4.597 . 0 0 "[ . 1 . 2]" 1
645 1 51 ALA MB 1 55 VAL MG2 5.780 . 5.780 3.514 3.092 3.905 . 0 0 "[ . 1 . 2]" 1
646 1 52 ARG H 1 52 ARG HB2 3.770 . 3.770 2.394 2.157 2.717 . 0 0 "[ . 1 . 2]" 1
647 1 52 ARG H 1 52 ARG QB 3.040 . 3.040 2.270 2.124 2.405 . 0 0 "[ . 1 . 2]" 1
648 1 52 ARG H 1 52 ARG HB3 3.770 . 3.770 3.158 2.423 3.633 . 0 0 "[ . 1 . 2]" 1
649 1 52 ARG H 1 52 ARG QG 4.110 . 4.110 3.689 2.445 4.131 0.021 17 0 "[ . 1 . 2]" 1
650 1 52 ARG H 1 53 VAL H 3.330 . 3.330 2.653 2.506 2.766 . 0 0 "[ . 1 . 2]" 1
651 1 52 ARG H 1 53 VAL MG2 4.740 . 4.740 4.075 3.839 4.220 . 0 0 "[ . 1 . 2]" 1
652 1 52 ARG H 1 54 GLN H 4.730 . 4.730 4.177 3.789 4.588 . 0 0 "[ . 1 . 2]" 1
653 1 52 ARG HA 1 55 VAL H 4.010 . 4.010 3.562 3.110 4.092 0.082 14 0 "[ . 1 . 2]" 1
654 1 52 ARG HA 1 55 VAL HB 5.400 . 5.400 2.939 2.389 3.397 . 0 0 "[ . 1 . 2]" 1
655 1 52 ARG HA 1 55 VAL MG1 5.780 . 5.780 4.243 3.569 4.654 . 0 0 "[ . 1 . 2]" 1
656 1 52 ARG HA 1 55 VAL MG2 5.780 . 5.780 3.069 2.296 4.063 . 0 0 "[ . 1 . 2]" 1
657 1 52 ARG QB 1 53 VAL H 3.660 . 3.660 2.734 2.412 3.029 . 0 0 "[ . 1 . 2]" 1
658 1 52 ARG QB 1 53 VAL MG2 5.610 . 5.610 3.377 2.988 3.744 . 0 0 "[ . 1 . 2]" 1
659 1 52 ARG HB2 1 53 VAL H 4.280 . 4.280 3.346 2.618 4.159 . 0 0 "[ . 1 . 2]" 1
660 1 52 ARG HB3 1 53 VAL H 4.280 . 4.280 3.167 2.446 3.825 . 0 0 "[ . 1 . 2]" 1
661 1 52 ARG QD 1 55 VAL MG2 5.610 . 5.610 4.619 3.050 5.692 0.082 15 0 "[ . 1 . 2]" 1
662 1 53 VAL H 1 53 VAL HB 3.260 . 3.260 2.522 2.450 2.618 . 0 0 "[ . 1 . 2]" 1
663 1 53 VAL H 1 53 VAL MG1 4.000 . 4.000 3.812 3.785 3.831 . 0 0 "[ . 1 . 2]" 1
664 1 53 VAL H 1 53 VAL MG2 3.240 . 3.240 2.137 2.010 2.252 . 0 0 "[ . 1 . 2]" 1
665 1 53 VAL H 1 54 GLN H 3.450 . 3.450 2.723 2.631 2.826 . 0 0 "[ . 1 . 2]" 1
666 1 53 VAL H 1 55 VAL H 5.510 . 5.510 4.340 4.099 4.547 . 0 0 "[ . 1 . 2]" 1
667 1 53 VAL HA 1 56 TRP H 4.380 . 4.380 3.816 3.583 4.172 . 0 0 "[ . 1 . 2]" 1
668 1 53 VAL HA 1 56 TRP HB2 5.780 . 5.780 3.711 3.384 4.113 . 0 0 "[ . 1 . 2]" 1
669 1 53 VAL HA 1 56 TRP HB3 5.780 . 5.780 3.284 3.085 3.529 . 0 0 "[ . 1 . 2]" 1
670 1 53 VAL HB 1 54 GLN H 3.460 . 3.460 2.589 2.288 2.865 . 0 0 "[ . 1 . 2]" 1
671 1 53 VAL MG1 1 54 GLN H 4.140 . 4.140 3.396 2.999 3.725 . 0 0 "[ . 1 . 2]" 1
672 1 53 VAL MG1 1 54 GLN HA 5.780 . 5.780 3.529 3.113 3.945 . 0 0 "[ . 1 . 2]" 1
673 1 53 VAL MG1 1 54 GLN QB 5.780 . 5.780 4.598 3.887 5.130 . 0 0 "[ . 1 . 2]" 1
674 1 53 VAL MG1 1 57 PHE H 4.460 . 4.460 4.306 4.096 4.544 0.084 18 0 "[ . 1 . 2]" 1
675 1 53 VAL MG1 1 57 PHE QD 3.620 . 3.620 2.588 2.240 3.253 . 0 0 "[ . 1 . 2]" 1
676 1 53 VAL MG1 1 57 PHE QE 3.900 . 3.900 2.260 1.942 2.724 . 0 0 "[ . 1 . 2]" 1
677 1 53 VAL MG1 1 57 PHE HZ 5.780 . 5.780 4.122 3.878 4.468 . 0 0 "[ . 1 . 2]" 1
678 1 53 VAL MG2 1 54 GLN H 4.350 . 4.350 3.878 3.777 3.965 . 0 0 "[ . 1 . 2]" 1
679 1 54 GLN H 1 54 GLN QB 3.120 . 3.120 2.377 2.176 2.551 . 0 0 "[ . 1 . 2]" 1
680 1 54 GLN H 1 55 VAL H 3.590 . 3.590 2.820 2.700 2.942 . 0 0 "[ . 1 . 2]" 1
681 1 54 GLN H 1 55 VAL MG2 5.780 . 5.780 4.283 4.087 4.438 . 0 0 "[ . 1 . 2]" 1
682 1 54 GLN HA 1 57 PHE H 4.450 . 4.450 3.742 3.352 4.093 . 0 0 "[ . 1 . 2]" 1
683 1 54 GLN HA 1 57 PHE QD 5.760 . 5.760 3.682 2.806 4.494 . 0 0 "[ . 1 . 2]" 1
684 1 54 GLN QB 1 55 VAL H 3.160 . 3.160 2.510 2.303 2.789 . 0 0 "[ . 1 . 2]" 1
685 1 54 GLN QB 1 55 VAL MG1 5.780 . 5.780 5.242 5.001 5.506 . 0 0 "[ . 1 . 2]" 1
686 1 54 GLN QB 1 55 VAL MG2 5.780 . 5.780 3.242 2.966 3.621 . 0 0 "[ . 1 . 2]" 1
687 1 55 VAL H 1 55 VAL HB 3.380 . 3.380 2.569 2.389 2.704 . 0 0 "[ . 1 . 2]" 1
688 1 55 VAL H 1 55 VAL MG1 3.920 . 3.920 3.839 3.782 3.870 . 0 0 "[ . 1 . 2]" 1
689 1 55 VAL H 1 55 VAL MG2 3.190 . 3.190 2.133 1.996 2.313 . 0 0 "[ . 1 . 2]" 1
690 1 55 VAL H 1 56 TRP H 3.570 . 3.570 2.837 2.721 2.935 . 0 0 "[ . 1 . 2]" 1
691 1 55 VAL HA 1 58 GLN H 4.030 . 4.030 3.631 3.367 4.082 0.052 1 0 "[ . 1 . 2]" 1
692 1 55 VAL HA 1 58 GLN HB2 5.780 . 5.780 2.821 2.488 3.414 . 0 0 "[ . 1 . 2]" 1
693 1 55 VAL HA 1 58 GLN HB3 5.780 . 5.780 4.399 4.029 5.125 . 0 0 "[ . 1 . 2]" 1
694 1 55 VAL HA 1 58 GLN HG2 5.780 . 5.780 4.325 2.311 5.834 0.054 1 0 "[ . 1 . 2]" 1
695 1 55 VAL HA 1 58 GLN HG3 5.780 . 5.780 3.684 2.781 4.776 . 0 0 "[ . 1 . 2]" 1
696 1 55 VAL HA 1 59 ASN H 5.150 . 5.150 4.137 3.843 4.438 . 0 0 "[ . 1 . 2]" 1
697 1 55 VAL HB 1 56 TRP H 3.590 . 3.590 2.676 2.510 2.905 . 0 0 "[ . 1 . 2]" 1
698 1 55 VAL MG1 1 56 TRP H 3.920 . 3.920 3.426 3.225 3.656 . 0 0 "[ . 1 . 2]" 1
699 1 55 VAL MG1 1 56 TRP HA 5.780 . 5.780 3.475 3.286 3.608 . 0 0 "[ . 1 . 2]" 1
700 1 55 VAL MG1 1 58 GLN QB 5.610 . 5.610 3.931 3.378 4.609 . 0 0 "[ . 1 . 2]" 1
701 1 55 VAL MG1 1 59 ASN H 4.590 . 4.590 4.151 3.821 4.449 . 0 0 "[ . 1 . 2]" 1
702 1 55 VAL MG1 1 59 ASN HD21 4.680 . 4.680 3.215 2.432 4.846 0.166 8 0 "[ . 1 . 2]" 1
703 1 55 VAL MG1 1 59 ASN QD 4.000 . 4.000 2.894 1.998 4.047 0.047 4 0 "[ . 1 . 2]" 1
704 1 55 VAL MG1 1 59 ASN HD22 4.680 . 4.680 3.594 2.034 4.841 0.161 2 0 "[ . 1 . 2]" 1
705 1 55 VAL MG2 1 56 TRP H 4.550 . 4.550 3.943 3.789 4.085 . 0 0 "[ . 1 . 2]" 1
706 1 56 TRP H 1 56 TRP HB2 3.460 . 3.460 2.482 2.392 2.536 . 0 0 "[ . 1 . 2]" 1
707 1 56 TRP H 1 56 TRP HB3 3.560 . 3.560 2.684 2.614 2.740 . 0 0 "[ . 1 . 2]" 1
708 1 56 TRP H 1 56 TRP HD1 4.860 . 4.860 4.875 4.781 4.920 0.060 18 0 "[ . 1 . 2]" 1
709 1 56 TRP H 1 57 PHE H 3.680 . 3.680 2.851 2.751 2.931 . 0 0 "[ . 1 . 2]" 1
710 1 56 TRP HA 1 56 TRP HD1 4.000 . 4.000 3.186 3.077 3.324 . 0 0 "[ . 1 . 2]" 1
711 1 56 TRP HA 1 59 ASN H 4.410 . 4.410 3.903 3.618 4.141 . 0 0 "[ . 1 . 2]" 1
712 1 56 TRP HA 1 59 ASN HB2 5.780 . 5.780 3.643 2.923 5.762 . 0 0 "[ . 1 . 2]" 1
713 1 56 TRP HA 1 59 ASN HB3 5.780 . 5.780 4.270 2.994 5.475 . 0 0 "[ . 1 . 2]" 1
714 1 56 TRP HA 1 60 ARG H 5.780 . 5.780 4.276 3.940 4.537 . 0 0 "[ . 1 . 2]" 1
715 1 56 TRP HB2 1 56 TRP HD1 3.730 . 3.730 2.696 2.644 2.724 . 0 0 "[ . 1 . 2]" 1
716 1 56 TRP HB2 1 57 PHE H 4.030 . 4.030 3.752 3.685 3.838 . 0 0 "[ . 1 . 2]" 1
717 1 56 TRP HB3 1 56 TRP HE3 4.130 . 4.130 2.622 2.568 2.680 . 0 0 "[ . 1 . 2]" 1
718 1 56 TRP HB3 1 57 PHE H 3.810 . 3.810 2.418 2.323 2.508 . 0 0 "[ . 1 . 2]" 1
719 1 56 TRP HE3 1 57 PHE H 4.440 . 4.440 3.001 2.853 3.173 . 0 0 "[ . 1 . 2]" 1
720 1 56 TRP HE3 1 57 PHE HA 4.070 . 4.070 2.686 2.452 3.022 . 0 0 "[ . 1 . 2]" 1
721 1 56 TRP HE3 1 57 PHE QD 4.330 . 4.330 2.857 2.485 3.212 . 0 0 "[ . 1 . 2]" 1
722 1 56 TRP HE3 1 57 PHE QE 5.020 . 5.020 3.446 3.187 3.767 . 0 0 "[ . 1 . 2]" 1
723 1 56 TRP HH2 1 60 ARG QG 4.380 . 4.380 3.059 2.682 3.624 . 0 0 "[ . 1 . 2]" 1
724 1 56 TRP HZ3 1 57 PHE QE 4.770 . 4.770 3.316 2.881 4.223 . 0 0 "[ . 1 . 2]" 1
725 1 57 PHE H 1 57 PHE HB2 3.520 . 3.520 2.351 2.287 2.420 . 0 0 "[ . 1 . 2]" 1
726 1 57 PHE H 1 57 PHE HB3 4.350 . 4.350 3.603 3.573 3.628 . 0 0 "[ . 1 . 2]" 1
727 1 57 PHE H 1 57 PHE QD 3.820 . 3.820 2.466 1.941 2.852 . 0 0 "[ . 1 . 2]" 1
728 1 57 PHE H 1 57 PHE QE 4.830 . 4.830 4.585 4.259 4.800 . 0 0 "[ . 1 . 2]" 1
729 1 57 PHE H 1 58 GLN H 3.640 . 3.640 2.783 2.730 2.904 . 0 0 "[ . 1 . 2]" 1
730 1 57 PHE H 1 59 ASN H 4.670 . 4.670 4.467 4.119 4.691 0.021 11 0 "[ . 1 . 2]" 1
731 1 57 PHE HA 1 60 ARG H 4.270 . 4.270 3.420 3.016 3.760 . 0 0 "[ . 1 . 2]" 1
732 1 57 PHE HA 1 60 ARG HB2 5.780 . 5.780 2.944 2.081 3.551 . 0 0 "[ . 1 . 2]" 1
733 1 57 PHE HA 1 60 ARG HB3 5.780 . 5.780 2.701 2.049 4.144 . 0 0 "[ . 1 . 2]" 1
734 1 57 PHE HA 1 60 ARG QG 5.610 . 5.610 3.700 3.163 4.361 . 0 0 "[ . 1 . 2]" 1
735 1 57 PHE HA 1 61 ARG H 4.650 . 4.650 3.858 3.261 4.109 . 0 0 "[ . 1 . 2]" 1
736 1 57 PHE HB2 1 58 GLN H 4.470 . 4.470 3.051 2.831 3.367 . 0 0 "[ . 1 . 2]" 1
737 1 57 PHE HB3 1 58 GLN H 4.900 . 4.900 3.675 3.393 3.960 . 0 0 "[ . 1 . 2]" 1
738 1 58 GLN H 1 58 GLN HB2 3.610 . 3.610 2.463 2.325 2.578 . 0 0 "[ . 1 . 2]" 1
739 1 58 GLN H 1 58 GLN QB 3.100 . 3.100 2.424 2.297 2.530 . 0 0 "[ . 1 . 2]" 1
740 1 58 GLN H 1 58 GLN HB3 3.610 . 3.610 3.630 3.585 3.677 0.067 10 0 "[ . 1 . 2]" 1
741 1 58 GLN H 1 58 GLN HG2 4.080 . 4.080 3.066 2.295 3.794 . 0 0 "[ . 1 . 2]" 1
742 1 58 GLN H 1 58 GLN QG 3.420 . 3.420 2.425 2.217 2.694 . 0 0 "[ . 1 . 2]" 1
743 1 58 GLN H 1 58 GLN HG3 4.080 . 4.080 3.107 2.239 3.982 . 0 0 "[ . 1 . 2]" 1
744 1 58 GLN H 1 59 ASN H 3.300 . 3.300 2.693 2.557 2.823 . 0 0 "[ . 1 . 2]" 1
745 1 58 GLN HA 1 61 ARG QB 5.610 . 5.610 2.979 2.291 3.616 . 0 0 "[ . 1 . 2]" 1
746 1 58 GLN HB2 1 59 ASN H 3.720 . 3.720 2.614 2.418 2.895 . 0 0 "[ . 1 . 2]" 1
747 1 58 GLN HB3 1 59 ASN H 3.720 . 3.720 3.544 3.291 3.783 0.063 14 0 "[ . 1 . 2]" 1
748 1 59 ASN H 1 59 ASN HB2 3.660 . 3.660 2.492 2.251 3.691 0.031 3 0 "[ . 1 . 2]" 1
749 1 59 ASN H 1 59 ASN QB 3.110 . 3.110 2.348 2.165 2.522 . 0 0 "[ . 1 . 2]" 1
750 1 59 ASN H 1 59 ASN HB3 3.660 . 3.660 3.203 2.414 3.656 . 0 0 "[ . 1 . 2]" 1
751 1 59 ASN H 1 60 ARG H 3.530 . 3.530 2.598 2.507 2.729 . 0 0 "[ . 1 . 2]" 1
752 1 59 ASN HA 1 62 ALA H 4.090 . 4.090 3.532 3.098 3.975 . 0 0 "[ . 1 . 2]" 1
753 1 59 ASN HA 1 62 ALA MB 5.040 . 5.040 2.568 2.206 3.151 . 0 0 "[ . 1 . 2]" 1
754 1 59 ASN QB 1 60 ARG H 3.720 . 3.720 2.779 2.448 3.576 . 0 0 "[ . 1 . 2]" 1
755 1 59 ASN HB2 1 60 ARG H 4.340 . 4.340 3.312 2.693 4.054 . 0 0 "[ . 1 . 2]" 1
756 1 59 ASN HB3 1 60 ARG H 4.340 . 4.340 3.363 2.492 4.035 . 0 0 "[ . 1 . 2]" 1
757 1 60 ARG H 1 60 ARG HB2 3.840 . 3.840 2.428 2.099 2.666 . 0 0 "[ . 1 . 2]" 1
758 1 60 ARG H 1 60 ARG HB3 3.820 . 3.820 2.818 2.393 3.567 . 0 0 "[ . 1 . 2]" 1
759 1 60 ARG H 1 60 ARG QG 4.630 . 4.630 3.928 2.481 4.139 . 0 0 "[ . 1 . 2]" 1
760 1 60 ARG H 1 61 ARG H 3.630 . 3.630 2.661 2.501 2.809 . 0 0 "[ . 1 . 2]" 1
761 1 60 ARG H 1 62 ALA H 4.770 . 4.770 3.961 3.757 4.223 . 0 0 "[ . 1 . 2]" 1
762 1 60 ARG HA 1 62 ALA MB 5.780 . 5.780 4.822 4.336 5.195 . 0 0 "[ . 1 . 2]" 1
763 1 60 ARG HA 1 63 LYS QB 5.780 . 5.780 3.086 2.294 4.222 . 0 0 "[ . 1 . 2]" 1
764 1 60 ARG HA 1 63 LYS QD 5.610 . 5.610 3.882 2.498 5.682 0.072 18 0 "[ . 1 . 2]" 1
765 1 60 ARG HB2 1 61 ARG H 4.580 . 4.580 3.626 2.515 3.947 . 0 0 "[ . 1 . 2]" 1
766 1 60 ARG HB3 1 61 ARG H 4.160 . 4.160 2.796 2.430 3.607 . 0 0 "[ . 1 . 2]" 1
767 1 61 ARG H 1 61 ARG QB 3.800 . 3.800 2.390 2.236 2.505 . 0 0 "[ . 1 . 2]" 1
768 1 61 ARG H 1 61 ARG HG2 4.670 . 4.670 3.788 3.516 4.365 . 0 0 "[ . 1 . 2]" 1
769 1 61 ARG H 1 61 ARG QG 4.060 . 4.060 2.566 2.156 3.978 . 0 0 "[ . 1 . 2]" 1
770 1 61 ARG H 1 61 ARG HG3 4.670 . 4.670 2.633 2.176 4.585 . 0 0 "[ . 1 . 2]" 1
771 1 61 ARG H 1 62 ALA H 3.640 . 3.640 2.590 2.452 2.763 . 0 0 "[ . 1 . 2]" 1
772 1 61 ARG H 1 62 ALA MB 4.760 . 4.760 4.271 4.155 4.406 . 0 0 "[ . 1 . 2]" 1
773 1 61 ARG HA 1 64 TRP H 4.540 . 4.540 3.169 2.860 3.554 . 0 0 "[ . 1 . 2]" 1
774 1 61 ARG HA 1 64 TRP HB2 5.780 . 5.780 2.967 2.447 3.984 . 0 0 "[ . 1 . 2]" 1
775 1 61 ARG HA 1 64 TRP HB3 5.780 . 5.780 2.131 1.669 2.867 . 0 0 "[ . 1 . 2]" 1
776 1 61 ARG QB 1 62 ALA H 3.900 . 3.900 2.832 2.571 3.203 . 0 0 "[ . 1 . 2]" 1
777 1 61 ARG HB2 1 62 ALA H 4.710 . 4.710 2.977 2.628 3.780 . 0 0 "[ . 1 . 2]" 1
778 1 61 ARG HB3 1 62 ALA H 4.710 . 4.710 3.740 2.817 4.057 . 0 0 "[ . 1 . 2]" 1
779 1 62 ALA H 1 62 ALA MB 2.970 . 2.970 2.254 2.242 2.270 . 0 0 "[ . 1 . 2]" 1
780 1 62 ALA H 1 63 LYS H 3.600 . 3.600 2.705 2.588 2.863 . 0 0 "[ . 1 . 2]" 1
781 1 62 ALA H 1 64 TRP H 4.870 . 4.870 3.920 3.794 4.269 . 0 0 "[ . 1 . 2]" 1
782 1 62 ALA HA 1 65 ARG H 4.850 . 4.850 3.816 3.189 4.435 . 0 0 "[ . 1 . 2]" 1
783 1 62 ALA HA 1 65 ARG QB 5.610 . 5.610 3.348 2.270 4.319 . 0 0 "[ . 1 . 2]" 1
784 1 62 ALA HA 1 65 ARG QG 5.610 . 5.610 4.295 2.823 5.662 0.052 3 0 "[ . 1 . 2]" 1
785 1 62 ALA MB 1 63 LYS H 3.510 . 3.510 2.546 2.240 2.811 . 0 0 "[ . 1 . 2]" 1
786 1 62 ALA MB 1 63 LYS HA 5.780 . 5.780 4.022 3.856 4.149 . 0 0 "[ . 1 . 2]" 1
787 1 63 LYS H 1 63 LYS QB 3.270 . 3.270 2.360 2.198 2.560 . 0 0 "[ . 1 . 2]" 1
788 1 63 LYS H 1 63 LYS QG 4.590 . 4.590 3.099 2.187 4.078 . 0 0 "[ . 1 . 2]" 1
789 1 63 LYS H 1 64 TRP H 3.890 . 3.890 2.526 2.381 2.810 . 0 0 "[ . 1 . 2]" 1
790 1 63 LYS H 1 65 ARG H 5.390 . 5.390 4.190 3.798 4.579 . 0 0 "[ . 1 . 2]" 1
791 1 63 LYS QB 1 64 TRP H 3.770 . 3.770 2.818 2.363 3.705 . 0 0 "[ . 1 . 2]" 1
792 1 64 TRP H 1 64 TRP HB2 3.740 . 3.740 2.577 2.329 2.780 . 0 0 "[ . 1 . 2]" 1
793 1 64 TRP H 1 64 TRP HB3 3.740 . 3.740 2.469 2.291 2.722 . 0 0 "[ . 1 . 2]" 1
794 1 64 TRP H 1 65 ARG H 4.210 . 4.210 2.649 2.446 2.829 . 0 0 "[ . 1 . 2]" 1
795 1 64 TRP HA 1 64 TRP HD1 4.080 . 4.080 3.165 2.983 3.480 . 0 0 "[ . 1 . 2]" 1
796 1 64 TRP HA 1 64 TRP HE3 4.630 . 4.630 4.671 4.207 4.815 0.185 3 0 "[ . 1 . 2]" 1
797 1 64 TRP QB 1 64 TRP HE3 3.720 . 3.720 2.476 2.340 2.733 . 0 0 "[ . 1 . 2]" 1
798 1 64 TRP QB 1 65 ARG H 4.430 . 4.430 2.710 2.403 3.043 . 0 0 "[ . 1 . 2]" 1
799 1 64 TRP HB2 1 65 ARG H 5.170 . 5.170 3.989 3.784 4.226 . 0 0 "[ . 1 . 2]" 1
800 1 64 TRP HB3 1 65 ARG H 5.170 . 5.170 2.759 2.428 3.120 . 0 0 "[ . 1 . 2]" 1
801 1 64 TRP HE3 1 65 ARG HA 4.140 . 4.140 3.526 2.969 3.904 . 0 0 "[ . 1 . 2]" 1
802 1 64 TRP HE3 1 65 ARG QB 5.320 . 5.320 3.645 1.878 4.564 . 0 0 "[ . 1 . 2]" 1
803 1 64 TRP HE3 1 65 ARG HG2 5.780 . 5.780 3.627 2.291 5.822 0.042 4 0 "[ . 1 . 2]" 1
804 1 64 TRP HE3 1 65 ARG HG3 5.780 . 5.780 3.721 1.961 5.310 . 0 0 "[ . 1 . 2]" 1
805 1 64 TRP HZ3 1 65 ARG HA 4.860 . 4.860 4.492 3.836 4.928 0.068 6 0 "[ . 1 . 2]" 1
806 1 64 TRP HZ3 1 65 ARG QB 5.610 . 5.610 4.624 2.810 5.657 0.047 1 0 "[ . 1 . 2]" 1
807 1 64 TRP HZ3 1 65 ARG QG 4.640 . 4.640 3.680 2.650 4.689 0.049 5 0 "[ . 1 . 2]" 1
808 1 65 ARG H 1 65 ARG QB 3.580 . 3.580 2.364 2.191 2.612 . 0 0 "[ . 1 . 2]" 1
809 1 65 ARG H 1 65 ARG QG 4.550 . 4.550 3.054 2.217 4.166 . 0 0 "[ . 1 . 2]" 1
810 1 65 ARG H 1 66 LYS H 5.570 . 5.570 3.449 2.259 4.632 . 0 0 "[ . 1 . 2]" 1
811 1 65 ARG HB2 1 66 LYS H 4.920 . 4.920 3.756 1.990 4.662 . 0 0 "[ . 1 . 2]" 1
812 1 65 ARG HB3 1 66 LYS H 4.920 . 4.920 3.560 2.147 4.502 . 0 0 "[ . 1 . 2]" 1
813 1 65 ARG QG 1 66 LYS H 5.610 . 5.610 4.057 2.452 4.895 . 0 0 "[ . 1 . 2]" 1
814 1 66 LYS H 1 66 LYS QD 5.780 . 5.780 4.511 2.295 5.573 . 0 0 "[ . 1 . 2]" 1
815 1 67 ARG H 1 67 ARG QG 4.850 . 4.850 3.264 2.022 4.055 . 0 0 "[ . 1 . 2]" 1
816 1 68 GLU H 1 69 ARG H 5.700 . 5.700 3.761 2.206 4.649 . 0 0 "[ . 1 . 2]" 1
817 1 70 PHE HA 1 70 PHE QD 3.990 . 3.990 3.028 2.381 3.813 . 0 0 "[ . 1 . 2]" 1
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