NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565515 |
2m3o   |
18971 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3o
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 822
_Distance_constraint_stats_list.Viol_count 221
_Distance_constraint_stats_list.Viol_total 156.345
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0472
_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 3 MET 0.000 0.000 . 0 "[ . 1 .]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 7 PHE 0.005 0.005 3 0 "[ . 1 .]"
1 8 LEU 0.560 0.118 1 0 "[ . 1 .]"
1 9 PRO 0.330 0.067 4 0 "[ . 1 .]"
1 10 LYS 0.033 0.033 15 0 "[ . 1 .]"
1 11 GLY 0.487 0.169 15 0 "[ . 1 .]"
1 12 TRP 0.573 0.169 15 0 "[ . 1 .]"
1 13 GLU 0.854 0.140 10 0 "[ . 1 .]"
1 14 VAL 1.184 0.172 10 0 "[ . 1 .]"
1 15 ARG 1.758 0.118 15 0 "[ . 1 .]"
1 16 HIS 0.978 0.112 10 0 "[ . 1 .]"
1 17 ALA 0.270 0.069 5 0 "[ . 1 .]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 20 GLY 0.072 0.053 2 0 "[ . 1 .]"
1 21 ARG 0.572 0.069 5 0 "[ . 1 .]"
1 22 PRO 0.802 0.080 2 0 "[ . 1 .]"
1 23 PHE 1.272 0.118 15 0 "[ . 1 .]"
1 24 PHE 2.300 0.172 10 0 "[ . 1 .]"
1 25 ILE 0.817 0.140 10 0 "[ . 1 .]"
1 26 ASP 0.057 0.024 9 0 "[ . 1 .]"
1 27 HIS 0.540 0.125 15 0 "[ . 1 .]"
1 28 ASN 0.355 0.158 15 0 "[ . 1 .]"
1 29 THR 0.000 0.000 . 0 "[ . 1 .]"
1 30 LYS 0.592 0.171 2 0 "[ . 1 .]"
1 31 THR 0.784 0.171 2 0 "[ . 1 .]"
1 32 THR 0.152 0.053 7 0 "[ . 1 .]"
1 33 THR 0.720 0.121 11 0 "[ . 1 .]"
1 34 TRP 0.257 0.063 12 0 "[ . 1 .]"
1 35 GLU 0.393 0.224 6 0 "[ . 1 .]"
1 36 ASP 0.396 0.224 6 0 "[ . 1 .]"
1 37 PRO 0.079 0.067 4 0 "[ . 1 .]"
1 38 ARG 0.651 0.118 1 0 "[ . 1 .]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 40 LYS 0.040 0.040 1 0 "[ . 1 .]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 2 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 3 PRO 0.000 0.000 . 0 "[ . 1 .]"
2 4 PRO 0.695 0.087 7 0 "[ . 1 .]"
2 5 PRO 0.000 0.000 . 0 "[ . 1 .]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 7 TYR 0.653 0.125 6 0 "[ . 1 .]"
2 8 ALA 0.452 0.122 8 0 "[ . 1 .]"
2 9 THR 0.488 0.125 6 0 "[ . 1 .]"
2 10 LEU 0.501 0.122 8 0 "[ . 1 .]"
2 11 GLY 0.000 0.000 . 0 "[ . 1 .]"
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 3 MET HG2 1 38 ARG H 4.000 . 6.500 5.332 3.618 6.478 . 0 0 "[ . 1 .]" 1
2 1 3 MET HG2 1 39 LEU H 4.000 . 6.500 4.595 2.865 6.476 . 0 0 "[ . 1 .]" 1
3 1 4 GLU H 1 4 GLU HB2 4.000 . 6.000 2.989 2.437 3.615 . 0 0 "[ . 1 .]" 1
4 1 4 GLU QB 1 5 GLN H 4.000 . 6.000 3.215 1.815 4.048 . 0 0 "[ . 1 .]" 1
5 1 6 GLY QA 1 7 PHE H 3.000 . 4.500 2.504 2.087 2.973 . 0 0 "[ . 1 .]" 1
6 1 7 PHE H 1 7 PHE HB2 3.000 . 4.500 2.875 2.369 3.809 . 0 0 "[ . 1 .]" 1
7 1 7 PHE H 1 7 PHE HB3 4.000 . 6.000 3.269 2.528 3.815 . 0 0 "[ . 1 .]" 1
8 1 7 PHE HA 1 7 PHE QD 4.000 . 6.000 2.911 2.543 3.754 . 0 0 "[ . 1 .]" 1
9 1 7 PHE HA 1 8 LEU H 3.000 . 4.500 2.315 2.072 2.816 . 0 0 "[ . 1 .]" 1
10 1 7 PHE HB3 1 8 LEU H 4.000 . 6.000 3.674 1.795 4.392 0.005 3 0 "[ . 1 .]" 1
11 1 8 LEU H 1 8 LEU HB2 4.000 . 6.000 2.434 2.318 2.603 . 0 0 "[ . 1 .]" 1
12 1 8 LEU H 1 8 LEU HB3 3.000 . 4.500 3.631 3.556 3.746 . 0 0 "[ . 1 .]" 1
13 1 8 LEU HA 1 8 LEU QD 3.000 . 4.500 1.885 1.849 1.957 . 0 0 "[ . 1 .]" 1
14 1 8 LEU HA 1 9 PRO HD2 3.000 . 4.500 2.771 2.141 3.018 . 0 0 "[ . 1 .]" 1
15 1 8 LEU HA 1 9 PRO HD3 3.000 . 4.500 2.072 1.901 2.513 . 0 0 "[ . 1 .]" 1
16 1 8 LEU HA 1 9 PRO HG2 4.000 . 6.000 4.548 4.315 4.793 . 0 0 "[ . 1 .]" 1
17 1 8 LEU HA 1 38 ARG HB3 4.000 . 6.000 5.768 4.774 6.118 0.118 1 0 "[ . 1 .]" 1
18 1 8 LEU HA 1 38 ARG HD2 4.000 . 6.000 3.029 1.985 4.527 . 0 0 "[ . 1 .]" 1
19 1 8 LEU HA 1 38 ARG HG2 4.000 . 6.000 3.523 2.500 4.278 . 0 0 "[ . 1 .]" 1
20 1 8 LEU HA 1 38 ARG HG3 4.000 . 6.000 3.720 2.383 4.504 . 0 0 "[ . 1 .]" 1
21 1 8 LEU QB 1 12 TRP H 4.000 . 6.000 3.819 3.479 4.206 . 0 0 "[ . 1 .]" 1
22 1 8 LEU QB 1 12 TRP HB3 4.000 . 6.000 2.887 2.294 3.850 . 0 0 "[ . 1 .]" 1
23 1 8 LEU QB 1 13 GLU H 4.000 . 6.500 4.599 3.569 5.456 . 0 0 "[ . 1 .]" 1
24 1 8 LEU HB2 1 8 LEU QD 3.000 . 4.500 2.250 2.212 2.323 . 0 0 "[ . 1 .]" 1
25 1 8 LEU HB2 1 9 PRO HD2 4.000 . 6.000 3.910 3.696 4.035 . 0 0 "[ . 1 .]" 1
26 1 8 LEU HB2 1 9 PRO HD3 4.000 . 6.000 4.464 4.194 4.975 . 0 0 "[ . 1 .]" 1
27 1 8 LEU HB2 1 12 TRP H 4.000 . 6.000 4.733 4.146 5.265 . 0 0 "[ . 1 .]" 1
28 1 8 LEU HB2 1 12 TRP HB2 4.000 . 6.000 3.539 2.820 4.232 . 0 0 "[ . 1 .]" 1
29 1 8 LEU HB2 1 12 TRP HB3 4.000 . 6.000 4.264 3.439 5.346 . 0 0 "[ . 1 .]" 1
30 1 8 LEU HB3 1 9 PRO HD2 4.000 . 6.000 2.308 2.055 2.496 . 0 0 "[ . 1 .]" 1
31 1 8 LEU HB3 1 9 PRO HD3 4.000 . 6.000 3.257 2.862 3.930 . 0 0 "[ . 1 .]" 1
32 1 8 LEU HB3 1 12 TRP HB3 4.000 . 6.000 2.941 2.319 3.948 . 0 0 "[ . 1 .]" 1
33 1 8 LEU HB3 1 13 GLU H 4.000 . 6.500 4.982 3.821 5.887 . 0 0 "[ . 1 .]" 1
34 1 8 LEU QD 1 9 PRO HD2 4.000 . 6.000 2.672 2.065 2.989 . 0 0 "[ . 1 .]" 1
35 1 8 LEU QD 1 9 PRO QD 4.000 . 6.000 2.368 1.946 2.624 . 0 0 "[ . 1 .]" 1
36 1 8 LEU QD 1 9 PRO HD3 4.000 . 6.000 2.743 2.379 3.183 . 0 0 "[ . 1 .]" 1
37 1 8 LEU QD 1 12 TRP H 4.000 . 6.500 5.217 5.005 5.573 . 0 0 "[ . 1 .]" 1
38 1 8 LEU QD 1 12 TRP HB2 4.000 . 6.000 3.555 3.192 4.029 . 0 0 "[ . 1 .]" 1
39 1 8 LEU QD 1 12 TRP HB3 4.000 . 6.500 3.423 2.884 4.343 . 0 0 "[ . 1 .]" 1
40 1 8 LEU QD 1 13 GLU HA 4.000 . 6.000 3.964 3.140 4.783 . 0 0 "[ . 1 .]" 1
41 1 8 LEU QD 1 14 VAL H 4.000 . 6.500 4.020 3.160 4.642 . 0 0 "[ . 1 .]" 1
42 1 8 LEU QD 1 24 PHE QD 4.000 . 6.000 2.708 2.062 3.456 . 0 0 "[ . 1 .]" 1
43 1 8 LEU QD 1 24 PHE QE 4.000 . 6.000 2.178 1.783 2.550 0.017 1 0 "[ . 1 .]" 1
44 1 8 LEU QD 1 36 ASP HA 4.000 . 6.500 4.430 3.693 4.854 . 0 0 "[ . 1 .]" 1
45 1 8 LEU QD 1 37 PRO HD2 4.000 . 6.000 2.859 2.250 3.275 . 0 0 "[ . 1 .]" 1
46 1 8 LEU QD 1 37 PRO HD3 4.000 . 6.000 3.696 3.070 4.312 . 0 0 "[ . 1 .]" 1
47 1 8 LEU QD 1 37 PRO HG2 4.000 . 6.000 2.427 1.821 3.283 . 0 0 "[ . 1 .]" 1
48 1 8 LEU QD 1 37 PRO HG3 4.000 . 6.000 3.068 2.291 4.035 . 0 0 "[ . 1 .]" 1
49 1 8 LEU QD 1 38 ARG H 4.000 . 6.000 4.130 3.353 4.941 . 0 0 "[ . 1 .]" 1
50 1 8 LEU QD 1 38 ARG HB2 4.000 . 6.000 4.262 2.968 4.824 . 0 0 "[ . 1 .]" 1
51 1 8 LEU QD 1 38 ARG HB3 4.000 . 6.000 4.786 3.883 5.289 . 0 0 "[ . 1 .]" 1
52 1 8 LEU QD 1 38 ARG HG2 3.000 . 4.500 2.869 2.142 3.836 . 0 0 "[ . 1 .]" 1
53 1 8 LEU QD 1 38 ARG HG3 4.000 . 6.000 2.915 2.143 3.535 . 0 0 "[ . 1 .]" 1
54 1 8 LEU HG 1 9 PRO HD3 4.000 . 6.000 4.842 4.496 5.510 . 0 0 "[ . 1 .]" 1
55 1 8 LEU HG 1 12 TRP H 4.000 . 6.500 5.763 5.421 6.200 . 0 0 "[ . 1 .]" 1
56 1 8 LEU HG 1 12 TRP HA 4.000 . 6.500 5.416 4.817 6.346 . 0 0 "[ . 1 .]" 1
57 1 8 LEU HG 1 12 TRP HB2 4.000 . 6.000 3.851 3.366 4.429 . 0 0 "[ . 1 .]" 1
58 1 8 LEU HG 1 12 TRP HB3 4.000 . 6.000 3.485 2.811 4.729 . 0 0 "[ . 1 .]" 1
59 1 8 LEU HG 1 13 GLU H 4.000 . 6.000 4.692 2.974 6.012 0.012 7 0 "[ . 1 .]" 1
60 1 8 LEU HG 1 13 GLU HA 3.000 . 4.500 4.038 3.163 4.574 0.074 9 0 "[ . 1 .]" 1
61 1 8 LEU HG 1 14 VAL H 4.000 . 6.000 4.587 3.963 5.243 . 0 0 "[ . 1 .]" 1
62 1 8 LEU HG 1 14 VAL HB 4.000 . 6.000 3.997 2.769 5.853 . 0 0 "[ . 1 .]" 1
63 1 8 LEU HG 1 38 ARG HG3 4.000 . 6.500 5.957 5.134 6.582 0.082 4 0 "[ . 1 .]" 1
64 1 9 PRO HA 1 10 LYS H 2.000 . 3.000 2.382 2.130 2.523 . 0 0 "[ . 1 .]" 1
65 1 9 PRO QB 1 12 TRP H 4.000 . 6.500 3.924 3.544 4.749 . 0 0 "[ . 1 .]" 1
66 1 9 PRO HB2 1 10 LYS H 3.000 . 4.500 3.114 2.482 3.972 . 0 0 "[ . 1 .]" 1
67 1 9 PRO HB2 1 12 TRP H 4.000 . 6.500 4.021 3.612 4.938 . 0 0 "[ . 1 .]" 1
68 1 9 PRO HB2 1 12 TRP HE1 4.000 . 6.000 3.434 2.872 4.187 . 0 0 "[ . 1 .]" 1
69 1 9 PRO HB3 1 10 LYS H 4.000 . 6.000 3.088 2.782 3.627 . 0 0 "[ . 1 .]" 1
70 1 9 PRO HB3 1 12 TRP HE1 4.000 . 6.500 4.654 3.968 5.592 . 0 0 "[ . 1 .]" 1
71 1 9 PRO HD2 1 37 PRO QB 4.000 . 6.000 3.681 3.249 4.445 . 0 0 "[ . 1 .]" 1
72 1 9 PRO HD2 1 37 PRO HG2 4.000 . 6.000 2.957 2.184 3.757 . 0 0 "[ . 1 .]" 1
73 1 9 PRO HD2 1 37 PRO HG3 4.000 . 6.000 3.642 2.964 4.246 . 0 0 "[ . 1 .]" 1
74 1 9 PRO HD2 1 38 ARG H 4.000 . 6.500 5.800 4.912 6.526 0.026 14 0 "[ . 1 .]" 1
75 1 9 PRO HD2 1 38 ARG HD2 4.000 . 6.500 4.613 3.441 5.918 . 0 0 "[ . 1 .]" 1
76 1 9 PRO HD2 1 38 ARG HG2 4.000 . 6.000 4.450 3.424 6.033 0.033 4 0 "[ . 1 .]" 1
77 1 9 PRO HD3 1 12 TRP H 4.000 . 6.500 5.897 5.520 6.269 . 0 0 "[ . 1 .]" 1
78 1 9 PRO HD3 1 12 TRP HB2 4.000 . 6.000 4.071 3.630 4.846 . 0 0 "[ . 1 .]" 1
79 1 9 PRO HD3 1 12 TRP HB3 4.000 . 6.000 4.958 4.182 5.995 . 0 0 "[ . 1 .]" 1
80 1 9 PRO HD3 1 37 PRO QB 4.000 . 6.000 3.840 3.276 4.682 . 0 0 "[ . 1 .]" 1
81 1 9 PRO HD3 1 37 PRO HG2 4.000 . 6.000 3.060 2.488 3.872 . 0 0 "[ . 1 .]" 1
82 1 9 PRO HD3 1 37 PRO HG3 4.000 . 6.000 4.404 3.817 5.350 . 0 0 "[ . 1 .]" 1
83 1 9 PRO HD3 1 38 ARG H 4.000 . 6.500 5.040 4.352 6.100 . 0 0 "[ . 1 .]" 1
84 1 9 PRO HD3 1 38 ARG HG2 4.000 . 6.000 3.164 2.109 4.340 . 0 0 "[ . 1 .]" 1
85 1 9 PRO HG2 1 12 TRP H 4.000 . 6.500 5.215 3.761 5.760 . 0 0 "[ . 1 .]" 1
86 1 9 PRO HG2 1 12 TRP HE1 4.000 . 6.000 3.823 3.053 4.650 . 0 0 "[ . 1 .]" 1
87 1 9 PRO HG2 1 37 PRO QB 4.000 . 6.000 2.785 1.999 4.201 . 0 0 "[ . 1 .]" 1
88 1 9 PRO HG2 1 37 PRO HG2 4.000 . 6.500 3.449 2.415 4.503 . 0 0 "[ . 1 .]" 1
89 1 9 PRO HG2 1 37 PRO HG3 4.000 . 6.500 4.039 2.952 5.253 . 0 0 "[ . 1 .]" 1
90 1 9 PRO HG3 1 12 TRP HE1 4.000 . 6.000 5.186 4.222 5.984 . 0 0 "[ . 1 .]" 1
91 1 9 PRO HG3 1 37 PRO QB 4.000 . 6.000 3.492 2.421 4.280 . 0 0 "[ . 1 .]" 1
92 1 9 PRO HG3 1 37 PRO HG2 4.000 . 6.000 3.993 3.033 4.874 . 0 0 "[ . 1 .]" 1
93 1 9 PRO HG3 1 37 PRO HG3 4.000 . 6.000 5.105 4.022 6.067 0.067 4 0 "[ . 1 .]" 1
94 1 9 PRO HG3 1 38 ARG H 4.000 . 6.000 5.689 4.667 6.066 0.066 11 0 "[ . 1 .]" 1
95 1 10 LYS H 1 10 LYS QD 4.000 . 6.500 4.020 2.348 4.770 . 0 0 "[ . 1 .]" 1
96 1 10 LYS H 1 10 LYS HG2 4.000 . 6.500 3.849 2.084 4.696 . 0 0 "[ . 1 .]" 1
97 1 10 LYS H 1 10 LYS HG3 4.000 . 6.500 4.067 1.767 4.596 0.033 15 0 "[ . 1 .]" 1
98 1 10 LYS H 1 12 TRP H 4.000 . 6.500 4.644 4.445 4.881 . 0 0 "[ . 1 .]" 1
99 1 10 LYS HA 1 10 LYS QD 4.000 . 6.000 2.976 1.826 4.492 . 0 0 "[ . 1 .]" 1
100 1 10 LYS HA 1 10 LYS HG3 4.000 . 6.000 3.240 2.398 3.798 . 0 0 "[ . 1 .]" 1
101 1 10 LYS HA 1 11 GLY H 3.000 . 4.500 2.140 2.083 2.274 . 0 0 "[ . 1 .]" 1
102 1 10 LYS HA 1 12 TRP H 4.000 . 6.000 3.603 3.364 3.742 . 0 0 "[ . 1 .]" 1
103 1 10 LYS QB 1 11 GLY H 4.000 . 6.000 3.751 3.510 3.963 . 0 0 "[ . 1 .]" 1
104 1 10 LYS QB 1 12 TRP H 4.000 . 6.500 4.907 4.673 5.067 . 0 0 "[ . 1 .]" 1
105 1 10 LYS HB2 1 11 GLY H 4.000 . 6.500 4.293 3.774 4.531 . 0 0 "[ . 1 .]" 1
106 1 10 LYS HB3 1 11 GLY H 4.000 . 6.500 4.184 3.696 4.470 . 0 0 "[ . 1 .]" 1
107 1 10 LYS QD 1 11 GLY H 4.000 . 6.500 3.871 2.406 5.721 . 0 0 "[ . 1 .]" 1
108 1 11 GLY C 1 27 HIS H 2.300 . 2.900 2.886 2.750 3.025 0.125 15 0 "[ . 1 .]" 1
109 1 11 GLY C 1 27 HIS N 3.200 . 4.000 3.840 3.717 3.988 . 0 0 "[ . 1 .]" 1
110 1 11 GLY H 1 12 TRP H 4.000 . 6.000 2.312 1.631 2.783 0.169 15 0 "[ . 1 .]" 1
111 1 11 GLY QA 1 28 ASN QD 4.000 . 6.000 2.171 1.790 3.045 0.010 3 0 "[ . 1 .]" 1
112 1 11 GLY QA 1 28 ASN HD22 3.000 . 4.500 2.210 1.804 3.133 . 0 0 "[ . 1 .]" 1
113 1 11 GLY HA2 1 27 HIS H 4.000 . 6.000 3.844 3.445 4.263 . 0 0 "[ . 1 .]" 1
114 1 11 GLY HA2 1 27 HIS HB2 4.000 . 6.000 2.751 2.270 3.749 . 0 0 "[ . 1 .]" 1
115 1 11 GLY HA3 1 27 HIS H 4.000 . 6.000 3.828 3.399 4.293 . 0 0 "[ . 1 .]" 1
116 1 11 GLY HA3 1 28 ASN H 4.000 . 6.500 4.146 3.620 5.108 . 0 0 "[ . 1 .]" 1
117 1 11 GLY HA3 1 28 ASN HD21 4.000 . 6.000 3.320 2.900 4.319 . 0 0 "[ . 1 .]" 1
118 1 11 GLY HA3 1 28 ASN HD22 4.000 . 6.500 2.227 1.809 3.203 . 0 0 "[ . 1 .]" 1
119 1 12 TRP H 1 12 TRP HB2 4.000 . 4.500 2.446 2.335 2.556 . 0 0 "[ . 1 .]" 1
120 1 12 TRP H 1 12 TRP HB3 3.000 . 4.500 3.639 3.579 3.686 . 0 0 "[ . 1 .]" 1
121 1 12 TRP H 1 12 TRP HE1 4.000 . 6.500 4.986 4.548 5.543 . 0 0 "[ . 1 .]" 1
122 1 12 TRP H 1 13 GLU H 4.000 . 6.000 4.462 4.365 4.581 . 0 0 "[ . 1 .]" 1
123 1 12 TRP H 1 13 GLU HA 4.000 . 6.500 5.169 5.038 5.425 . 0 0 "[ . 1 .]" 1
124 1 12 TRP H 1 26 ASP HA 4.000 . 6.000 4.783 4.561 5.032 . 0 0 "[ . 1 .]" 1
125 1 12 TRP H 1 27 HIS H 4.000 . 6.500 4.700 4.520 4.826 . 0 0 "[ . 1 .]" 1
126 1 12 TRP H 1 27 HIS HD2 4.000 . 6.500 4.993 4.116 6.555 0.055 11 0 "[ . 1 .]" 1
127 1 12 TRP HA 1 12 TRP HD1 4.000 . 6.000 3.895 3.632 4.091 . 0 0 "[ . 1 .]" 1
128 1 12 TRP HA 1 13 GLU H 3.000 . 4.500 2.253 2.108 2.582 . 0 0 "[ . 1 .]" 1
129 1 12 TRP HA 1 13 GLU HA 4.000 . 6.500 4.441 4.382 4.564 . 0 0 "[ . 1 .]" 1
130 1 12 TRP HA 1 13 GLU QB 4.000 . 6.000 3.935 3.744 4.099 . 0 0 "[ . 1 .]" 1
131 1 12 TRP HA 1 25 ILE H 4.000 . 6.500 4.402 3.856 4.789 . 0 0 "[ . 1 .]" 1
132 1 12 TRP HA 1 25 ILE HB 4.000 . 6.000 4.951 4.395 5.309 . 0 0 "[ . 1 .]" 1
133 1 12 TRP HA 1 25 ILE MG 4.000 . 6.500 4.992 4.637 5.364 . 0 0 "[ . 1 .]" 1
134 1 12 TRP HA 1 26 ASP H 4.000 . 6.500 4.743 4.519 5.115 . 0 0 "[ . 1 .]" 1
135 1 12 TRP HA 1 26 ASP HA 4.000 . 6.000 2.358 1.984 2.722 . 0 0 "[ . 1 .]" 1
136 1 12 TRP HA 1 27 HIS H 4.000 . 6.000 3.183 2.799 3.487 . 0 0 "[ . 1 .]" 1
137 1 12 TRP HA 1 28 ASN H 4.000 . 6.500 5.117 4.594 5.478 . 0 0 "[ . 1 .]" 1
138 1 12 TRP HB2 1 13 GLU H 4.000 . 6.000 4.083 3.440 4.385 . 0 0 "[ . 1 .]" 1
139 1 12 TRP HB2 1 24 PHE QD 4.000 . 6.000 5.317 4.264 5.916 . 0 0 "[ . 1 .]" 1
140 1 12 TRP HB2 1 25 ILE H 4.000 . 6.500 5.995 5.322 6.518 0.018 2 0 "[ . 1 .]" 1
141 1 12 TRP HB3 1 13 GLU H 4.000 . 6.000 3.083 2.154 3.658 . 0 0 "[ . 1 .]" 1
142 1 12 TRP HB3 1 24 PHE QD 4.000 . 6.000 4.115 3.284 4.929 . 0 0 "[ . 1 .]" 1
143 1 12 TRP HB3 1 33 THR MG 4.000 . 6.000 5.297 4.414 6.055 0.055 5 0 "[ . 1 .]" 1
144 1 12 TRP HD1 1 13 GLU H 4.000 . 6.000 5.841 5.504 6.040 0.040 7 0 "[ . 1 .]" 1
145 1 12 TRP HD1 1 27 HIS H 4.000 . 6.500 5.620 5.044 6.095 . 0 0 "[ . 1 .]" 1
146 1 12 TRP HE1 1 26 ASP HA 4.000 . 6.500 5.490 4.850 6.164 . 0 0 "[ . 1 .]" 1
147 1 12 TRP HE1 1 28 ASN H 4.000 . 6.500 6.098 5.381 6.554 0.054 9 0 "[ . 1 .]" 1
148 1 12 TRP HE1 1 28 ASN HD21 4.000 . 6.000 3.973 3.234 4.793 . 0 0 "[ . 1 .]" 1
149 1 12 TRP HE1 1 28 ASN HD22 4.000 . 6.000 4.088 2.827 5.144 . 0 0 "[ . 1 .]" 1
150 1 13 GLU H 1 13 GLU HG2 4.000 . 6.500 4.774 4.424 5.105 . 0 0 "[ . 1 .]" 1
151 1 13 GLU H 1 13 GLU QG 4.000 . 6.000 4.140 4.041 4.287 . 0 0 "[ . 1 .]" 1
152 1 13 GLU H 1 13 GLU HG3 4.000 . 6.500 4.563 4.394 4.786 . 0 0 "[ . 1 .]" 1
153 1 13 GLU H 1 14 VAL H 4.000 . 6.000 4.439 4.266 4.520 . 0 0 "[ . 1 .]" 1
154 1 13 GLU H 1 14 VAL MG2 4.000 . 6.500 5.688 4.323 6.462 . 0 0 "[ . 1 .]" 1
155 1 13 GLU H 1 24 PHE HA 4.000 . 6.000 4.446 4.058 4.775 . 0 0 "[ . 1 .]" 1
156 1 13 GLU H 1 24 PHE QB 4.000 . 6.000 4.001 3.439 4.348 . 0 0 "[ . 1 .]" 1
157 1 13 GLU H 1 24 PHE QD 4.000 . 6.500 4.774 4.317 5.325 . 0 0 "[ . 1 .]" 1
158 1 13 GLU H 1 25 ILE C 2.300 . 2.900 2.917 2.777 3.040 0.140 10 0 "[ . 1 .]" 1
159 1 13 GLU H 1 25 ILE HA 4.000 . 6.500 4.590 4.366 4.728 . 0 0 "[ . 1 .]" 1
160 1 13 GLU H 1 25 ILE HB 3.000 . 4.500 3.360 2.757 3.787 . 0 0 "[ . 1 .]" 1
161 1 13 GLU H 1 25 ILE MD 4.000 . 6.500 4.954 4.095 5.504 . 0 0 "[ . 1 .]" 1
162 1 13 GLU H 1 25 ILE HG12 4.000 . 6.500 5.861 5.471 6.121 . 0 0 "[ . 1 .]" 1
163 1 13 GLU H 1 25 ILE HG13 4.000 . 6.500 4.893 4.435 5.734 . 0 0 "[ . 1 .]" 1
164 1 13 GLU H 1 25 ILE MG 4.000 . 6.000 4.313 3.912 4.626 . 0 0 "[ . 1 .]" 1
165 1 13 GLU H 1 26 ASP H 4.000 . 6.500 4.817 4.635 4.981 . 0 0 "[ . 1 .]" 1
166 1 13 GLU H 1 26 ASP HA 4.000 . 6.000 3.595 3.206 3.991 . 0 0 "[ . 1 .]" 1
167 1 13 GLU H 1 27 HIS H 4.000 . 6.000 4.354 3.544 5.060 . 0 0 "[ . 1 .]" 1
168 1 13 GLU H 1 27 HIS HD2 4.000 . 6.500 3.641 2.934 4.983 . 0 0 "[ . 1 .]" 1
169 1 13 GLU H 1 33 THR MG 4.000 . 6.500 5.915 4.634 6.510 0.010 11 0 "[ . 1 .]" 1
170 1 13 GLU HA 1 13 GLU HG2 4.000 . 6.000 3.618 3.159 3.880 . 0 0 "[ . 1 .]" 1
171 1 13 GLU HA 1 14 VAL H 3.000 . 4.500 2.408 2.165 2.526 . 0 0 "[ . 1 .]" 1
172 1 13 GLU QB 1 14 VAL H 4.000 . 4.500 3.326 2.792 3.729 . 0 0 "[ . 1 .]" 1
173 1 13 GLU QB 1 15 ARG H 4.000 . 6.500 5.341 5.039 5.678 . 0 0 "[ . 1 .]" 1
174 1 13 GLU QB 1 25 ILE H 4.000 . 6.000 3.314 3.039 3.674 . 0 0 "[ . 1 .]" 1
175 1 13 GLU QB 1 25 ILE MD 4.000 . 6.000 3.146 2.578 3.917 . 0 0 "[ . 1 .]" 1
176 1 13 GLU QB 1 25 ILE HG13 4.000 . 6.000 3.896 3.381 5.645 . 0 0 "[ . 1 .]" 1
177 1 13 GLU QB 1 25 ILE MG 4.000 . 6.000 3.550 2.974 3.984 . 0 0 "[ . 1 .]" 1
178 1 13 GLU QB 1 26 ASP H 4.000 . 6.500 5.425 4.606 6.075 . 0 0 "[ . 1 .]" 1
179 1 13 GLU QB 1 27 HIS HD2 4.000 . 6.500 2.779 2.160 4.299 . 0 0 "[ . 1 .]" 1
180 1 13 GLU QG 1 14 VAL H 3.000 . 4.500 2.184 1.818 2.642 . 0 0 "[ . 1 .]" 1
181 1 13 GLU QG 1 25 ILE H 4.000 . 6.500 4.581 4.109 4.951 . 0 0 "[ . 1 .]" 1
182 1 13 GLU HG2 1 14 VAL H 4.000 . 6.000 3.510 2.332 4.313 . 0 0 "[ . 1 .]" 1
183 1 13 GLU HG2 1 25 ILE HB 4.000 . 6.000 4.140 2.950 4.869 . 0 0 "[ . 1 .]" 1
184 1 13 GLU HG2 1 25 ILE MD 4.000 . 6.000 3.691 2.578 4.686 . 0 0 "[ . 1 .]" 1
185 1 13 GLU HG3 1 14 VAL H 4.000 . 6.000 2.264 1.823 2.725 . 0 0 "[ . 1 .]" 1
186 1 13 GLU HG3 1 25 ILE H 4.000 . 6.500 5.089 4.384 5.891 . 0 0 "[ . 1 .]" 1
187 1 13 GLU HG3 1 25 ILE MD 4.000 . 6.000 4.176 3.102 5.351 . 0 0 "[ . 1 .]" 1
188 1 13 GLU N 1 25 ILE C 3.200 . 4.000 3.821 3.591 3.953 . 0 0 "[ . 1 .]" 1
189 1 14 VAL H 1 14 VAL HB 4.000 . 4.500 2.955 2.504 3.314 . 0 0 "[ . 1 .]" 1
190 1 14 VAL H 1 14 VAL MG1 4.000 . 4.500 2.717 1.972 3.894 . 0 0 "[ . 1 .]" 1
191 1 14 VAL H 1 14 VAL MG2 3.000 . 4.500 3.434 2.356 3.955 . 0 0 "[ . 1 .]" 1
192 1 14 VAL H 1 15 ARG H 4.000 . 6.000 4.395 4.263 4.497 . 0 0 "[ . 1 .]" 1
193 1 14 VAL H 1 24 PHE HA 4.000 . 6.000 4.754 4.612 5.100 . 0 0 "[ . 1 .]" 1
194 1 14 VAL H 1 25 ILE MD 4.000 . 6.500 4.958 4.234 5.852 . 0 0 "[ . 1 .]" 1
195 1 14 VAL HA 1 14 VAL MG1 3.000 . 4.500 2.942 2.364 3.219 . 0 0 "[ . 1 .]" 1
196 1 14 VAL HA 1 15 ARG H 3.000 . 4.500 2.168 2.117 2.207 . 0 0 "[ . 1 .]" 1
197 1 14 VAL HA 1 15 ARG HB2 4.000 . 6.500 4.157 3.947 4.284 . 0 0 "[ . 1 .]" 1
198 1 14 VAL HA 1 15 ARG QB 4.000 . 6.000 3.958 3.831 4.138 . 0 0 "[ . 1 .]" 1
199 1 14 VAL HA 1 24 PHE H 4.000 . 6.500 4.776 4.578 5.232 . 0 0 "[ . 1 .]" 1
200 1 14 VAL HA 1 25 ILE H 4.000 . 6.000 3.287 2.923 3.836 . 0 0 "[ . 1 .]" 1
201 1 14 VAL HB 1 15 ARG H 4.000 . 6.000 4.109 4.039 4.223 . 0 0 "[ . 1 .]" 1
202 1 14 VAL HB 1 24 PHE QD 4.000 . 6.000 3.338 2.131 5.493 . 0 0 "[ . 1 .]" 1
203 1 14 VAL HB 1 24 PHE QE 4.000 . 6.000 3.709 2.596 5.556 . 0 0 "[ . 1 .]" 1
204 1 14 VAL QG 1 23 PHE H 4.000 . 6.000 3.637 2.991 4.071 . 0 0 "[ . 1 .]" 1
205 1 14 VAL MG1 1 15 ARG H 3.000 . 4.500 3.466 2.496 4.005 . 0 0 "[ . 1 .]" 1
206 1 14 VAL MG1 1 15 ARG HA 4.000 . 6.000 3.869 3.502 4.171 . 0 0 "[ . 1 .]" 1
207 1 14 VAL MG1 1 22 PRO HB2 4.000 . 6.000 3.883 2.114 4.977 . 0 0 "[ . 1 .]" 1
208 1 14 VAL MG1 1 22 PRO QB 4.000 . 6.000 3.480 1.954 4.402 . 0 0 "[ . 1 .]" 1
209 1 14 VAL MG1 1 24 PHE H 4.000 . 6.500 6.178 4.849 6.672 0.172 10 0 "[ . 1 .]" 1
210 1 14 VAL MG1 1 24 PHE HA 4.000 . 6.000 4.509 3.653 4.880 . 0 0 "[ . 1 .]" 1
211 1 14 VAL MG1 1 24 PHE QD 4.000 . 6.000 3.942 3.372 4.244 . 0 0 "[ . 1 .]" 1
212 1 14 VAL MG1 1 24 PHE QE 4.000 . 6.000 3.779 3.302 4.209 . 0 0 "[ . 1 .]" 1
213 1 14 VAL MG1 1 25 ILE H 4.000 . 6.500 5.408 5.054 5.738 . 0 0 "[ . 1 .]" 1
214 1 14 VAL MG2 1 15 ARG H 4.000 . 6.000 2.986 2.366 4.108 . 0 0 "[ . 1 .]" 1
215 1 14 VAL MG2 1 22 PRO HB2 4.000 . 6.000 3.077 2.147 5.136 . 0 0 "[ . 1 .]" 1
216 1 14 VAL MG2 1 22 PRO HB3 4.000 . 6.000 3.578 2.380 5.491 . 0 0 "[ . 1 .]" 1
217 1 14 VAL MG2 1 23 PHE H 4.000 . 6.000 4.319 3.007 6.034 0.034 9 0 "[ . 1 .]" 1
218 1 15 ARG H 1 15 ARG HB3 4.000 . 6.000 3.057 2.795 3.689 . 0 0 "[ . 1 .]" 1
219 1 15 ARG H 1 15 ARG QD 4.000 . 6.500 4.455 3.730 4.886 . 0 0 "[ . 1 .]" 1
220 1 15 ARG H 1 15 ARG HD3 4.000 . 6.500 5.108 4.311 5.948 . 0 0 "[ . 1 .]" 1
221 1 15 ARG H 1 15 ARG HG2 4.000 . 6.500 4.658 3.247 5.009 . 0 0 "[ . 1 .]" 1
222 1 15 ARG H 1 15 ARG HG3 4.000 . 6.000 4.555 3.999 4.812 . 0 0 "[ . 1 .]" 1
223 1 15 ARG H 1 16 HIS HA 4.000 . 6.500 4.892 4.739 5.025 . 0 0 "[ . 1 .]" 1
224 1 15 ARG H 1 22 PRO HB2 4.000 . 6.000 4.597 4.314 4.990 . 0 0 "[ . 1 .]" 1
225 1 15 ARG H 1 22 PRO QB 4.000 . 6.000 4.152 3.792 4.436 . 0 0 "[ . 1 .]" 1
226 1 15 ARG H 1 23 PHE C 2.300 . 2.900 2.941 2.859 3.018 0.118 15 0 "[ . 1 .]" 1
227 1 15 ARG H 1 23 PHE H 4.000 . 4.500 3.204 2.791 3.713 . 0 0 "[ . 1 .]" 1
228 1 15 ARG H 1 23 PHE HA 4.000 . 6.000 4.650 4.540 4.726 . 0 0 "[ . 1 .]" 1
229 1 15 ARG H 1 23 PHE HB3 4.000 . 6.500 5.550 5.415 5.744 . 0 0 "[ . 1 .]" 1
230 1 15 ARG H 1 23 PHE QD 4.000 . 6.500 4.290 3.927 4.527 . 0 0 "[ . 1 .]" 1
231 1 15 ARG H 1 23 PHE QE 4.000 . 6.500 4.862 4.541 5.128 . 0 0 "[ . 1 .]" 1
232 1 15 ARG H 1 24 PHE H 4.000 . 6.500 4.783 4.599 4.922 . 0 0 "[ . 1 .]" 1
233 1 15 ARG H 1 24 PHE HA 4.000 . 6.000 3.248 2.822 3.475 . 0 0 "[ . 1 .]" 1
234 1 15 ARG H 1 24 PHE QD 4.000 . 6.000 4.829 4.235 5.214 . 0 0 "[ . 1 .]" 1
235 1 15 ARG H 1 25 ILE H 4.000 . 6.500 4.409 4.217 4.676 . 0 0 "[ . 1 .]" 1
236 1 15 ARG H 1 25 ILE MD 4.000 . 6.000 3.973 2.850 4.470 . 0 0 "[ . 1 .]" 1
237 1 15 ARG HA 1 15 ARG HD2 4.000 . 6.000 3.259 1.767 4.521 0.033 11 0 "[ . 1 .]" 1
238 1 15 ARG HA 1 15 ARG QD 4.000 . 6.000 2.939 1.757 4.019 0.043 11 0 "[ . 1 .]" 1
239 1 15 ARG HA 1 15 ARG HD3 4.000 . 6.000 3.719 2.031 4.669 . 0 0 "[ . 1 .]" 1
240 1 15 ARG HA 1 15 ARG HG2 4.000 . 6.000 3.125 2.335 3.700 . 0 0 "[ . 1 .]" 1
241 1 15 ARG HA 1 15 ARG QG 3.000 . 4.500 2.490 2.194 3.011 . 0 0 "[ . 1 .]" 1
242 1 15 ARG HA 1 15 ARG HG3 4.000 . 6.000 2.713 2.291 3.687 . 0 0 "[ . 1 .]" 1
243 1 15 ARG HA 1 16 HIS H 3.000 . 4.500 2.840 2.189 3.105 . 0 0 "[ . 1 .]" 1
244 1 15 ARG HA 1 16 HIS HB2 4.000 . 6.000 4.181 3.956 4.619 . 0 0 "[ . 1 .]" 1
245 1 15 ARG HA 1 23 PHE QE 4.000 . 6.500 5.299 5.089 5.436 . 0 0 "[ . 1 .]" 1
246 1 15 ARG HA 1 25 ILE MD 4.000 . 6.500 4.059 3.733 4.415 . 0 0 "[ . 1 .]" 1
247 1 15 ARG QB 1 16 HIS H 4.000 . 6.000 2.293 1.711 3.554 0.089 7 0 "[ . 1 .]" 1
248 1 15 ARG QB 1 23 PHE H 4.000 . 6.000 3.529 3.059 3.918 . 0 0 "[ . 1 .]" 1
249 1 15 ARG HB2 1 15 ARG HD3 4.000 . 6.000 2.971 2.458 3.586 . 0 0 "[ . 1 .]" 1
250 1 15 ARG HB2 1 16 HIS H 4.000 . 6.000 3.548 2.818 4.209 . 0 0 "[ . 1 .]" 1
251 1 15 ARG HB2 1 23 PHE QD 4.000 . 6.000 4.160 3.538 5.139 . 0 0 "[ . 1 .]" 1
252 1 15 ARG HB2 1 23 PHE QE 4.000 . 6.000 3.515 3.053 4.263 . 0 0 "[ . 1 .]" 1
253 1 15 ARG HB2 1 25 ILE MD 3.000 . 4.500 2.072 1.827 2.415 . 0 0 "[ . 1 .]" 1
254 1 15 ARG HB3 1 15 ARG HD3 4.000 . 6.000 3.108 2.364 3.791 . 0 0 "[ . 1 .]" 1
255 1 15 ARG HB3 1 16 HIS H 3.000 . 4.500 2.350 1.726 3.837 0.074 7 0 "[ . 1 .]" 1
256 1 15 ARG HB3 1 23 PHE QD 4.000 . 6.000 3.683 3.279 4.608 . 0 0 "[ . 1 .]" 1
257 1 15 ARG HB3 1 23 PHE QE 4.000 . 6.000 3.056 2.639 3.596 . 0 0 "[ . 1 .]" 1
258 1 15 ARG QD 1 16 HIS H 4.000 . 6.000 3.454 2.478 4.493 . 0 0 "[ . 1 .]" 1
259 1 15 ARG HD2 1 25 ILE MD 4.000 . 6.000 2.927 1.769 4.127 0.031 3 0 "[ . 1 .]" 1
260 1 15 ARG HD3 1 23 PHE QE 4.000 . 6.500 4.129 2.833 5.353 . 0 0 "[ . 1 .]" 1
261 1 15 ARG HD3 1 25 ILE MD 4.000 . 6.000 2.893 1.917 4.535 . 0 0 "[ . 1 .]" 1
262 1 15 ARG HE 2 10 LEU MD1 4.000 . 6.000 3.660 1.932 5.161 . 0 0 "[ . 1 .]" 1
263 1 15 ARG HE 2 10 LEU QD 4.000 . 6.000 3.322 1.921 4.861 . 0 0 "[ . 1 .]" 1
264 1 15 ARG HE 2 10 LEU MD2 4.000 . 6.000 4.108 2.995 5.935 . 0 0 "[ . 1 .]" 1
265 1 15 ARG QG 1 16 HIS H 4.000 . 6.000 2.160 1.688 3.905 0.112 10 0 "[ . 1 .]" 1
266 1 15 ARG HG2 1 16 HIS H 4.000 . 6.000 2.846 1.771 4.434 0.029 13 0 "[ . 1 .]" 1
267 1 15 ARG HG2 1 25 ILE MD 4.000 . 6.000 3.029 2.133 4.077 . 0 0 "[ . 1 .]" 1
268 1 15 ARG HG3 1 16 HIS H 4.000 . 6.000 2.765 1.696 4.337 0.104 10 0 "[ . 1 .]" 1
269 1 15 ARG HG3 1 25 ILE MD 4.000 . 6.000 3.280 1.871 3.985 . 0 0 "[ . 1 .]" 1
270 1 15 ARG N 1 23 PHE C 3.200 . 4.000 3.917 3.829 4.003 0.003 14 0 "[ . 1 .]" 1
271 1 16 HIS H 1 16 HIS HB2 4.000 . 4.500 2.839 2.279 3.363 . 0 0 "[ . 1 .]" 1
272 1 16 HIS H 1 17 ALA H 4.000 . 6.000 4.017 3.756 4.534 . 0 0 "[ . 1 .]" 1
273 1 16 HIS H 1 22 PRO HA 4.000 . 6.000 4.334 4.153 4.630 . 0 0 "[ . 1 .]" 1
274 1 16 HIS H 1 23 PHE QD 4.000 . 6.500 4.412 3.846 5.551 . 0 0 "[ . 1 .]" 1
275 1 16 HIS H 1 23 PHE QE 4.000 . 6.000 3.552 2.918 5.047 . 0 0 "[ . 1 .]" 1
276 1 16 HIS HA 1 16 HIS HD2 4.000 . 6.000 2.754 2.111 3.208 . 0 0 "[ . 1 .]" 1
277 1 16 HIS HA 1 17 ALA H 3.000 . 3.000 2.146 2.122 2.172 . 0 0 "[ . 1 .]" 1
278 1 16 HIS HA 1 17 ALA MB 4.000 . 6.000 4.017 3.940 4.060 . 0 0 "[ . 1 .]" 1
279 1 16 HIS HA 1 20 GLY H 4.000 . 6.500 5.604 5.377 5.749 . 0 0 "[ . 1 .]" 1
280 1 16 HIS HA 1 21 ARG H 4.000 . 6.000 4.990 4.651 5.842 . 0 0 "[ . 1 .]" 1
281 1 16 HIS HA 1 22 PRO HB2 4.000 . 6.000 4.809 4.319 5.184 . 0 0 "[ . 1 .]" 1
282 1 16 HIS HA 1 22 PRO HB3 4.000 . 6.000 3.730 3.091 4.133 . 0 0 "[ . 1 .]" 1
283 1 16 HIS HA 1 23 PHE H 4.000 . 6.000 3.407 2.961 3.727 . 0 0 "[ . 1 .]" 1
284 1 16 HIS HA 1 23 PHE QD 4.000 . 6.000 4.086 3.648 4.871 . 0 0 "[ . 1 .]" 1
285 1 16 HIS HB2 1 23 PHE H 4.000 . 6.500 5.885 5.458 6.181 . 0 0 "[ . 1 .]" 1
286 1 16 HIS HB3 1 17 ALA H 4.000 . 6.000 3.629 3.096 4.281 . 0 0 "[ . 1 .]" 1
287 1 16 HIS HB3 1 20 GLY H 4.000 . 6.500 5.339 4.645 6.439 . 0 0 "[ . 1 .]" 1
288 1 16 HIS HB3 1 20 GLY HA2 4.000 . 6.000 4.882 4.051 6.012 0.012 5 0 "[ . 1 .]" 1
289 1 16 HIS HB3 1 23 PHE H 4.000 . 6.500 6.003 5.529 6.339 . 0 0 "[ . 1 .]" 1
290 1 16 HIS HD2 1 17 ALA H 4.000 . 6.000 4.005 3.427 4.462 . 0 0 "[ . 1 .]" 1
291 1 16 HIS HD2 1 20 GLY H 4.000 . 6.500 5.618 4.757 6.553 0.053 2 0 "[ . 1 .]" 1
292 1 16 HIS HD2 1 22 PRO HB3 4.000 . 6.000 3.339 2.180 4.348 . 0 0 "[ . 1 .]" 1
293 1 16 HIS HD2 1 22 PRO HD2 4.000 . 6.000 5.340 4.272 6.010 0.010 4 0 "[ . 1 .]" 1
294 1 16 HIS HD2 1 22 PRO HD3 4.000 . 6.000 4.068 2.685 4.699 . 0 0 "[ . 1 .]" 1
295 1 16 HIS HD2 1 22 PRO HG3 4.000 . 6.000 3.866 2.342 5.448 . 0 0 "[ . 1 .]" 1
296 1 17 ALA H 1 18 PRO QD 4.000 . 6.000 4.411 4.393 4.443 . 0 0 "[ . 1 .]" 1
297 1 17 ALA H 1 21 ARG C 2.300 . 2.900 2.898 2.789 2.969 0.069 5 0 "[ . 1 .]" 1
298 1 17 ALA H 1 21 ARG H 4.000 . 6.000 3.443 3.130 4.324 . 0 0 "[ . 1 .]" 1
299 1 17 ALA H 1 22 PRO HA 3.000 . 4.500 3.127 2.490 3.431 . 0 0 "[ . 1 .]" 1
300 1 17 ALA H 1 23 PHE QD 4.000 . 6.000 3.096 2.744 3.883 . 0 0 "[ . 1 .]" 1
301 1 17 ALA HA 1 18 PRO QD 3.000 . 4.500 2.065 1.942 2.187 . 0 0 "[ . 1 .]" 1
302 1 17 ALA HA 1 18 PRO HG2 4.000 . 6.000 4.521 4.347 4.712 . 0 0 "[ . 1 .]" 1
303 1 17 ALA HA 1 23 PHE H 4.000 . 6.000 5.608 5.230 6.034 0.034 7 0 "[ . 1 .]" 1
304 1 17 ALA HA 1 23 PHE QD 4.000 . 6.000 3.733 3.355 4.404 . 0 0 "[ . 1 .]" 1
305 1 17 ALA HA 1 23 PHE QE 4.000 . 6.000 2.526 2.139 3.725 . 0 0 "[ . 1 .]" 1
306 1 17 ALA MB 1 19 ASN HA 4.000 . 6.000 4.864 4.688 5.018 . 0 0 "[ . 1 .]" 1
307 1 17 ALA MB 1 20 GLY H 4.000 . 6.000 3.353 3.064 3.802 . 0 0 "[ . 1 .]" 1
308 1 17 ALA MB 1 21 ARG H 3.000 . 4.500 2.650 2.274 3.053 . 0 0 "[ . 1 .]" 1
309 1 17 ALA MB 1 23 PHE H 4.000 . 6.000 4.117 3.588 4.598 . 0 0 "[ . 1 .]" 1
310 1 17 ALA MB 1 23 PHE HA 4.000 . 6.000 5.457 5.101 5.873 . 0 0 "[ . 1 .]" 1
311 1 17 ALA MB 1 23 PHE QB 4.000 . 6.000 3.669 3.312 4.213 . 0 0 "[ . 1 .]" 1
312 1 17 ALA MB 2 4 PRO HA 4.000 . 6.000 4.342 3.139 5.452 . 0 0 "[ . 1 .]" 1
313 1 17 ALA N 1 21 ARG C 3.200 . 4.000 3.858 3.741 3.909 . 0 0 "[ . 1 .]" 1
314 1 18 PRO HA 1 20 GLY H 4.000 . 6.000 3.650 3.524 3.753 . 0 0 "[ . 1 .]" 1
315 1 18 PRO HB2 1 20 GLY H 4.000 . 6.500 4.901 4.753 5.074 . 0 0 "[ . 1 .]" 1
316 1 18 PRO QD 1 21 ARG H 4.000 . 6.500 5.298 5.016 5.868 . 0 0 "[ . 1 .]" 1
317 1 19 ASN H 1 20 GLY H 4.000 . 6.000 2.550 2.376 2.706 . 0 0 "[ . 1 .]" 1
318 1 19 ASN HA 1 19 ASN HB2 3.000 . 4.500 3.024 3.017 3.033 . 0 0 "[ . 1 .]" 1
319 1 19 ASN HA 1 19 ASN HB3 3.000 . 4.500 2.466 2.387 2.573 . 0 0 "[ . 1 .]" 1
320 1 19 ASN HA 1 20 GLY HA2 4.000 . 6.000 5.043 4.956 5.107 . 0 0 "[ . 1 .]" 1
321 1 19 ASN QB 1 20 GLY H 4.000 . 6.000 3.264 3.098 3.642 . 0 0 "[ . 1 .]" 1
322 1 19 ASN QB 1 21 ARG H 4.000 . 6.000 3.000 2.658 3.249 . 0 0 "[ . 1 .]" 1
323 1 19 ASN HB2 1 20 GLY HA3 4.000 . 6.000 4.909 4.711 5.339 . 0 0 "[ . 1 .]" 1
324 1 19 ASN HB3 1 19 ASN HD22 4.000 . 6.000 3.578 3.467 4.064 . 0 0 "[ . 1 .]" 1
325 1 19 ASN HB3 1 20 GLY H 4.000 . 6.500 4.213 4.008 4.388 . 0 0 "[ . 1 .]" 1
326 1 20 GLY H 1 21 ARG H 3.000 . 4.500 2.325 2.158 2.637 . 0 0 "[ . 1 .]" 1
327 1 20 GLY H 1 21 ARG HA 4.000 . 6.000 4.983 4.891 5.255 . 0 0 "[ . 1 .]" 1
328 1 20 GLY QA 1 21 ARG H 3.000 . 4.500 2.846 2.788 2.900 . 0 0 "[ . 1 .]" 1
329 1 20 GLY HA2 1 21 ARG H 4.000 . 6.000 3.132 2.947 3.460 . 0 0 "[ . 1 .]" 1
330 1 20 GLY HA3 1 21 ARG H 4.000 . 6.000 3.330 2.996 3.449 . 0 0 "[ . 1 .]" 1
331 1 21 ARG H 1 21 ARG QB 3.000 . 4.500 2.368 2.110 2.630 . 0 0 "[ . 1 .]" 1
332 1 21 ARG H 1 21 ARG QG 4.000 . 6.000 3.264 2.652 4.240 . 0 0 "[ . 1 .]" 1
333 1 21 ARG H 1 22 PRO HA 4.000 . 6.500 5.175 4.879 5.502 . 0 0 "[ . 1 .]" 1
334 1 21 ARG H 1 22 PRO QD 4.000 . 6.500 4.185 4.050 4.348 . 0 0 "[ . 1 .]" 1
335 1 21 ARG HA 1 21 ARG HD2 4.000 . 6.000 2.483 1.937 3.751 . 0 0 "[ . 1 .]" 1
336 1 21 ARG HA 1 21 ARG QD 4.000 . 6.000 2.181 1.852 3.391 . 0 0 "[ . 1 .]" 1
337 1 21 ARG HA 1 21 ARG HG2 3.000 . 4.500 2.836 2.248 3.864 . 0 0 "[ . 1 .]" 1
338 1 21 ARG HA 1 21 ARG HG3 4.000 . 6.000 3.578 2.921 3.748 . 0 0 "[ . 1 .]" 1
339 1 21 ARG HA 1 22 PRO HD2 3.000 . 4.500 2.497 2.065 2.789 . 0 0 "[ . 1 .]" 1
340 1 21 ARG HA 1 22 PRO HD3 3.000 . 4.500 1.959 1.751 2.338 0.049 9 0 "[ . 1 .]" 1
341 1 21 ARG HA 1 22 PRO HG2 4.000 . 6.000 4.391 4.254 4.483 . 0 0 "[ . 1 .]" 1
342 1 21 ARG QB 1 22 PRO HD2 4.000 . 6.000 3.410 2.668 4.155 . 0 0 "[ . 1 .]" 1
343 1 21 ARG QB 1 22 PRO HD3 4.000 . 6.000 3.855 3.462 4.408 . 0 0 "[ . 1 .]" 1
344 1 21 ARG HD2 1 22 PRO HD2 4.000 . 6.000 2.948 1.952 3.498 . 0 0 "[ . 1 .]" 1
345 1 21 ARG HD2 1 22 PRO HD3 3.000 . 4.500 3.457 2.725 4.515 0.015 7 0 "[ . 1 .]" 1
346 1 21 ARG QG 1 22 PRO HD2 3.000 . 4.500 3.967 1.771 4.556 0.056 14 0 "[ . 1 .]" 1
347 1 21 ARG QG 1 22 PRO HD3 4.000 . 6.000 4.177 3.147 4.732 . 0 0 "[ . 1 .]" 1
348 1 21 ARG HG2 1 22 PRO HD2 4.000 . 6.000 4.464 1.776 5.115 0.024 2 0 "[ . 1 .]" 1
349 1 21 ARG HG2 1 22 PRO HD3 4.000 . 6.000 4.539 3.185 5.686 . 0 0 "[ . 1 .]" 1
350 1 21 ARG HG3 1 22 PRO HD2 4.000 . 6.000 4.689 3.035 5.426 . 0 0 "[ . 1 .]" 1
351 1 21 ARG HG3 1 22 PRO HD3 4.000 . 6.000 5.202 4.136 5.834 . 0 0 "[ . 1 .]" 1
352 1 22 PRO HA 1 23 PHE H 2.000 . 3.000 2.198 2.162 2.264 . 0 0 "[ . 1 .]" 1
353 1 22 PRO HB2 1 23 PHE H 4.000 . 6.000 3.742 3.081 4.120 . 0 0 "[ . 1 .]" 1
354 1 22 PRO HB2 1 23 PHE HA 4.000 . 6.000 4.362 4.051 4.725 . 0 0 "[ . 1 .]" 1
355 1 22 PRO HB2 1 24 PHE QD 4.000 . 6.000 5.331 4.943 5.597 . 0 0 "[ . 1 .]" 1
356 1 22 PRO HB2 1 24 PHE QE 4.000 . 6.000 4.630 4.076 4.885 . 0 0 "[ . 1 .]" 1
357 1 22 PRO HB3 1 23 PHE H 4.000 . 6.000 3.997 3.504 4.423 . 0 0 "[ . 1 .]" 1
358 1 22 PRO HB3 1 23 PHE HA 4.000 . 6.500 5.543 5.183 5.872 . 0 0 "[ . 1 .]" 1
359 1 22 PRO HB3 1 24 PHE QE 4.000 . 6.000 5.985 5.485 6.080 0.080 2 0 "[ . 1 .]" 1
360 1 23 PHE H 1 23 PHE QD 4.000 . 4.500 2.618 2.223 2.959 . 0 0 "[ . 1 .]" 1
361 1 23 PHE H 1 23 PHE QE 4.000 . 6.000 4.150 3.991 4.351 . 0 0 "[ . 1 .]" 1
362 1 23 PHE H 1 24 PHE QD 4.000 . 6.000 5.719 5.459 5.943 . 0 0 "[ . 1 .]" 1
363 1 23 PHE HA 1 23 PHE QD 4.000 . 6.000 3.747 3.738 3.755 . 0 0 "[ . 1 .]" 1
364 1 23 PHE HA 1 24 PHE H 3.000 . 4.500 2.316 2.207 2.450 . 0 0 "[ . 1 .]" 1
365 1 23 PHE HA 1 24 PHE QD 4.000 . 6.000 3.636 3.039 4.170 . 0 0 "[ . 1 .]" 1
366 1 23 PHE HA 1 24 PHE QE 4.000 . 6.000 4.414 4.101 4.716 . 0 0 "[ . 1 .]" 1
367 1 23 PHE QB 1 24 PHE QD 4.000 . 6.000 4.538 4.151 4.878 . 0 0 "[ . 1 .]" 1
368 1 23 PHE HB2 1 24 PHE H 4.000 . 6.000 2.642 2.315 2.902 . 0 0 "[ . 1 .]" 1
369 1 23 PHE HB2 1 32 THR HB 4.000 . 6.000 3.959 3.253 5.405 . 0 0 "[ . 1 .]" 1
370 1 23 PHE HB2 1 33 THR H 4.000 . 6.000 3.731 3.439 4.266 . 0 0 "[ . 1 .]" 1
371 1 23 PHE HB2 1 34 TRP HA 4.000 . 6.000 3.322 3.071 3.757 . 0 0 "[ . 1 .]" 1
372 1 23 PHE HB3 2 4 PRO HG3 3.000 . 4.500 4.228 3.579 4.521 0.021 9 0 "[ . 1 .]" 1
373 1 23 PHE QD 1 24 PHE H 4.000 . 6.000 3.522 3.143 3.797 . 0 0 "[ . 1 .]" 1
374 1 23 PHE QD 1 25 ILE H 4.000 . 6.500 4.728 4.457 4.967 . 0 0 "[ . 1 .]" 1
375 1 23 PHE QD 1 25 ILE HG12 4.000 . 6.000 3.075 2.725 4.169 . 0 0 "[ . 1 .]" 1
376 1 23 PHE QD 1 25 ILE HG13 4.000 . 6.000 3.266 2.950 3.609 . 0 0 "[ . 1 .]" 1
377 1 23 PHE QD 1 32 THR HA 4.000 . 6.000 3.850 3.314 4.482 . 0 0 "[ . 1 .]" 1
378 1 23 PHE QD 1 32 THR HB 3.000 . 4.500 2.757 2.329 4.525 0.025 6 0 "[ . 1 .]" 1
379 1 23 PHE QD 1 32 THR MG 3.000 . 4.500 2.786 1.994 3.348 . 0 0 "[ . 1 .]" 1
380 1 23 PHE QD 1 33 THR H 4.000 . 6.000 3.438 3.063 3.981 . 0 0 "[ . 1 .]" 1
381 1 23 PHE QD 1 34 TRP HA 4.000 . 6.500 5.115 4.928 5.463 . 0 0 "[ . 1 .]" 1
382 1 23 PHE QD 2 4 PRO HB2 4.000 . 6.000 3.734 3.038 4.122 . 0 0 "[ . 1 .]" 1
383 1 23 PHE QD 2 4 PRO HB3 4.000 . 6.000 3.413 3.149 3.693 . 0 0 "[ . 1 .]" 1
384 1 23 PHE QD 2 4 PRO QG 4.000 . 6.000 3.693 3.059 4.134 . 0 0 "[ . 1 .]" 1
385 1 23 PHE QE 1 25 ILE H 4.000 . 6.500 5.607 5.255 5.907 . 0 0 "[ . 1 .]" 1
386 1 23 PHE QE 1 25 ILE HA 4.000 . 6.500 4.742 4.122 5.408 . 0 0 "[ . 1 .]" 1
387 1 23 PHE QE 1 25 ILE HG12 4.000 . 6.000 2.416 2.016 2.989 . 0 0 "[ . 1 .]" 1
388 1 23 PHE QE 1 25 ILE HG13 4.000 . 6.000 3.246 2.695 3.557 . 0 0 "[ . 1 .]" 1
389 1 23 PHE QE 1 32 THR HA 4.000 . 6.500 4.700 4.117 5.593 . 0 0 "[ . 1 .]" 1
390 1 23 PHE QE 1 32 THR HB 4.000 . 6.000 3.507 2.788 4.955 . 0 0 "[ . 1 .]" 1
391 1 23 PHE QE 1 32 THR MG 4.000 . 6.000 2.224 1.888 2.613 . 0 0 "[ . 1 .]" 1
392 1 23 PHE QE 2 4 PRO HB2 4.000 . 6.000 3.135 2.771 3.650 . 0 0 "[ . 1 .]" 1
393 1 23 PHE QE 2 4 PRO QB 4.000 . 6.000 2.879 2.627 3.191 . 0 0 "[ . 1 .]" 1
394 1 23 PHE QE 2 4 PRO HB3 4.000 . 6.000 3.404 3.097 4.020 . 0 0 "[ . 1 .]" 1
395 1 23 PHE QE 2 4 PRO QG 4.000 . 6.000 4.184 3.632 4.598 . 0 0 "[ . 1 .]" 1
396 1 23 PHE QE 2 5 PRO QD 4.000 . 6.000 3.333 2.349 4.361 . 0 0 "[ . 1 .]" 1
397 1 23 PHE QE 2 5 PRO QG 4.000 . 6.000 4.447 3.046 5.553 . 0 0 "[ . 1 .]" 1
398 1 23 PHE QE 2 10 LEU MD1 4.000 . 6.000 4.097 2.373 5.256 . 0 0 "[ . 1 .]" 1
399 1 23 PHE QE 2 10 LEU QD 3.000 . 4.500 2.725 2.000 3.300 . 0 0 "[ . 1 .]" 1
400 1 23 PHE QE 2 10 LEU MD2 4.000 . 6.000 3.021 2.020 4.664 . 0 0 "[ . 1 .]" 1
401 1 23 PHE HE1 2 4 PRO HB3 3.000 . 4.500 3.839 3.542 4.499 . 0 0 "[ . 1 .]" 1
402 1 23 PHE HE2 2 4 PRO HB2 3.000 . 4.500 3.863 2.830 4.587 0.087 7 0 "[ . 1 .]" 1
403 1 24 PHE C 1 33 THR H 2.300 . 2.900 2.939 2.905 3.021 0.121 11 0 "[ . 1 .]" 1
404 1 24 PHE C 1 33 THR N 3.200 . 4.000 3.911 3.872 4.014 0.014 11 0 "[ . 1 .]" 1
405 1 24 PHE H 1 24 PHE QD 4.000 . 6.000 2.572 2.202 2.992 . 0 0 "[ . 1 .]" 1
406 1 24 PHE H 1 24 PHE QE 4.000 . 6.500 4.405 4.183 4.597 . 0 0 "[ . 1 .]" 1
407 1 24 PHE H 1 25 ILE QG 4.000 . 6.500 4.677 4.361 5.252 . 0 0 "[ . 1 .]" 1
408 1 24 PHE H 1 25 ILE HG13 4.000 . 6.500 4.998 4.703 5.463 . 0 0 "[ . 1 .]" 1
409 1 24 PHE H 1 32 THR HB 4.000 . 6.500 5.201 4.779 6.550 0.050 6 0 "[ . 1 .]" 1
410 1 24 PHE H 1 33 THR HA 4.000 . 6.500 5.029 4.841 5.711 . 0 0 "[ . 1 .]" 1
411 1 24 PHE H 1 33 THR MG 4.000 . 6.000 3.236 2.950 3.654 . 0 0 "[ . 1 .]" 1
412 1 24 PHE H 1 34 TRP HA 4.000 . 6.000 3.354 3.074 3.799 . 0 0 "[ . 1 .]" 1
413 1 24 PHE H 1 35 GLU H 4.000 . 6.500 4.994 4.559 5.721 . 0 0 "[ . 1 .]" 1
414 1 24 PHE HA 1 24 PHE QD 4.000 . 6.000 2.786 2.461 3.103 . 0 0 "[ . 1 .]" 1
415 1 24 PHE HA 1 25 ILE H 3.000 . 4.500 2.194 2.109 2.307 . 0 0 "[ . 1 .]" 1
416 1 24 PHE HA 1 25 ILE HB 4.000 . 6.000 4.634 4.520 4.716 . 0 0 "[ . 1 .]" 1
417 1 24 PHE HA 1 25 ILE HG12 4.000 . 6.000 4.789 4.576 5.563 . 0 0 "[ . 1 .]" 1
418 1 24 PHE HA 1 33 THR MG 4.000 . 6.000 4.407 3.976 4.916 . 0 0 "[ . 1 .]" 1
419 1 24 PHE QB 1 25 ILE H 4.000 . 6.000 2.830 2.489 3.056 . 0 0 "[ . 1 .]" 1
420 1 24 PHE QB 1 26 ASP H 4.000 . 6.500 4.996 4.647 5.524 . 0 0 "[ . 1 .]" 1
421 1 24 PHE QB 1 33 THR H 4.000 . 6.000 3.479 3.202 3.766 . 0 0 "[ . 1 .]" 1
422 1 24 PHE QB 1 33 THR MG 3.000 . 4.500 2.109 1.762 2.591 0.038 10 0 "[ . 1 .]" 1
423 1 24 PHE QD 1 25 ILE H 4.000 . 6.000 3.983 3.805 4.135 . 0 0 "[ . 1 .]" 1
424 1 24 PHE QD 1 33 THR H 4.000 . 6.500 4.782 4.345 5.218 . 0 0 "[ . 1 .]" 1
425 1 24 PHE QD 1 34 TRP HA 4.000 . 6.000 3.588 3.105 4.321 . 0 0 "[ . 1 .]" 1
426 1 24 PHE QD 1 35 GLU H 4.000 . 6.500 3.967 3.634 4.765 . 0 0 "[ . 1 .]" 1
427 1 24 PHE QD 1 36 ASP H 4.000 . 6.500 5.045 4.190 5.611 . 0 0 "[ . 1 .]" 1
428 1 24 PHE QD 1 36 ASP HA 4.000 . 6.000 3.567 3.088 4.169 . 0 0 "[ . 1 .]" 1
429 1 24 PHE QD 1 37 PRO HD2 4.000 . 6.000 4.083 3.626 4.802 . 0 0 "[ . 1 .]" 1
430 1 24 PHE QD 1 37 PRO HD3 4.000 . 6.000 3.390 2.703 3.988 . 0 0 "[ . 1 .]" 1
431 1 24 PHE QE 1 36 ASP HA 4.000 . 6.000 2.962 2.358 3.709 . 0 0 "[ . 1 .]" 1
432 1 24 PHE QE 1 36 ASP HB3 4.000 . 6.000 4.681 3.805 5.756 . 0 0 "[ . 1 .]" 1
433 1 24 PHE QE 1 37 PRO HD2 4.000 . 6.000 3.806 3.464 4.368 . 0 0 "[ . 1 .]" 1
434 1 24 PHE QE 1 37 PRO HD3 4.000 . 6.500 3.865 3.076 4.910 . 0 0 "[ . 1 .]" 1
435 1 25 ILE H 1 25 ILE HB 4.000 . 6.000 2.711 2.600 2.793 . 0 0 "[ . 1 .]" 1
436 1 25 ILE H 1 25 ILE MD 4.000 . 6.000 3.816 2.311 4.146 . 0 0 "[ . 1 .]" 1
437 1 25 ILE H 1 25 ILE HG12 4.000 . 6.000 3.848 3.698 4.373 . 0 0 "[ . 1 .]" 1
438 1 25 ILE H 1 25 ILE HG13 4.000 . 4.500 2.712 2.465 3.827 . 0 0 "[ . 1 .]" 1
439 1 25 ILE H 1 25 ILE MG 4.000 . 6.000 3.879 3.827 3.912 . 0 0 "[ . 1 .]" 1
440 1 25 ILE H 1 26 ASP H 4.000 . 6.500 4.310 4.192 4.429 . 0 0 "[ . 1 .]" 1
441 1 25 ILE H 1 26 ASP HA 4.000 . 6.500 4.792 4.691 4.947 . 0 0 "[ . 1 .]" 1
442 1 25 ILE H 1 32 THR HA 4.000 . 6.000 4.812 4.724 4.933 . 0 0 "[ . 1 .]" 1
443 1 25 ILE H 1 32 THR MG 4.000 . 6.000 4.608 4.096 5.138 . 0 0 "[ . 1 .]" 1
444 1 25 ILE H 1 33 THR MG 4.000 . 6.500 4.614 3.610 5.111 . 0 0 "[ . 1 .]" 1
445 1 25 ILE HA 1 25 ILE MD 4.000 . 6.500 3.837 3.072 3.953 . 0 0 "[ . 1 .]" 1
446 1 25 ILE HA 1 25 ILE HG12 4.000 . 6.000 2.733 2.600 3.641 . 0 0 "[ . 1 .]" 1
447 1 25 ILE HA 1 25 ILE HG13 4.000 . 6.000 3.085 2.405 3.209 . 0 0 "[ . 1 .]" 1
448 1 25 ILE HA 1 25 ILE MG 3.000 . 4.500 2.335 2.254 2.443 . 0 0 "[ . 1 .]" 1
449 1 25 ILE HA 1 26 ASP H 3.000 . 4.500 2.192 2.089 2.320 . 0 0 "[ . 1 .]" 1
450 1 25 ILE HA 1 27 HIS H 4.000 . 6.500 5.795 5.513 6.305 . 0 0 "[ . 1 .]" 1
451 1 25 ILE HA 1 32 THR HA 3.000 . 4.500 2.233 2.001 2.370 . 0 0 "[ . 1 .]" 1
452 1 25 ILE HA 1 32 THR MG 4.000 . 6.000 2.665 2.266 3.177 . 0 0 "[ . 1 .]" 1
453 1 25 ILE HA 1 33 THR H 4.000 . 6.000 3.466 2.891 3.716 . 0 0 "[ . 1 .]" 1
454 1 25 ILE HB 1 26 ASP H 4.000 . 6.000 4.079 3.671 4.256 . 0 0 "[ . 1 .]" 1
455 1 25 ILE HB 1 27 HIS H 4.000 . 6.500 5.242 4.874 5.451 . 0 0 "[ . 1 .]" 1
456 1 25 ILE MD 1 26 ASP H 4.000 . 6.500 5.137 4.737 5.442 . 0 0 "[ . 1 .]" 1
457 1 25 ILE MD 1 32 THR MG 4.000 . 6.000 2.991 2.610 3.446 . 0 0 "[ . 1 .]" 1
458 1 25 ILE HG13 1 26 ASP H 4.000 . 6.500 5.061 4.245 5.192 . 0 0 "[ . 1 .]" 1
459 1 25 ILE HG13 1 32 THR HA 4.000 . 6.500 4.427 2.792 4.938 . 0 0 "[ . 1 .]" 1
460 1 25 ILE HG13 1 32 THR MG 3.000 . 4.500 3.086 1.747 3.513 0.053 7 0 "[ . 1 .]" 1
461 1 25 ILE MG 1 26 ASP H 4.000 . 6.000 2.664 2.093 3.016 . 0 0 "[ . 1 .]" 1
462 1 25 ILE MG 1 26 ASP QB 4.000 . 6.500 4.142 3.755 4.374 . 0 0 "[ . 1 .]" 1
463 1 25 ILE MG 1 27 HIS H 4.000 . 6.000 4.114 3.729 4.436 . 0 0 "[ . 1 .]" 1
464 1 25 ILE MG 1 27 HIS HA 4.000 . 6.500 3.750 3.351 4.055 . 0 0 "[ . 1 .]" 1
465 1 25 ILE MG 1 31 THR H 4.000 . 6.000 3.866 3.397 4.564 . 0 0 "[ . 1 .]" 1
466 1 25 ILE MG 1 32 THR HA 4.000 . 6.000 3.314 2.747 3.629 . 0 0 "[ . 1 .]" 1
467 1 25 ILE MG 1 32 THR MG 4.000 . 6.000 2.320 2.040 2.977 . 0 0 "[ . 1 .]" 1
468 1 25 ILE MG 1 33 THR H 4.000 . 6.000 4.995 4.521 5.291 . 0 0 "[ . 1 .]" 1
469 1 25 ILE MG 2 7 TYR HA 4.000 . 6.000 3.630 2.943 4.229 . 0 0 "[ . 1 .]" 1
470 1 25 ILE MG 2 7 TYR HB2 4.000 . 6.000 3.038 1.900 4.458 . 0 0 "[ . 1 .]" 1
471 1 25 ILE MG 2 7 TYR HB3 4.000 . 6.000 4.342 3.233 5.566 . 0 0 "[ . 1 .]" 1
472 1 25 ILE MG 2 7 TYR QD 3.000 . 4.500 2.147 1.750 2.586 0.050 13 0 "[ . 1 .]" 1
473 1 25 ILE MG 2 7 TYR QE 4.000 . 6.000 3.156 2.272 4.213 . 0 0 "[ . 1 .]" 1
474 1 25 ILE MG 2 10 LEU QB 4.000 . 6.500 5.063 3.688 6.416 . 0 0 "[ . 1 .]" 1
475 1 25 ILE MG 2 10 LEU QD 3.000 . 4.500 2.764 2.218 3.603 . 0 0 "[ . 1 .]" 1
476 1 26 ASP H 1 27 HIS H 4.000 . 6.500 4.364 4.290 4.555 . 0 0 "[ . 1 .]" 1
477 1 26 ASP H 1 31 THR H 4.000 . 6.000 3.184 2.676 3.619 . 0 0 "[ . 1 .]" 1
478 1 26 ASP H 1 31 THR MG 4.000 . 6.500 3.230 2.835 3.803 . 0 0 "[ . 1 .]" 1
479 1 26 ASP H 1 32 THR HA 4.000 . 6.000 3.196 2.903 3.666 . 0 0 "[ . 1 .]" 1
480 1 26 ASP H 1 32 THR HB 4.000 . 6.000 5.683 5.347 6.024 0.024 9 0 "[ . 1 .]" 1
481 1 26 ASP H 1 32 THR MG 4.000 . 6.000 3.971 3.546 4.362 . 0 0 "[ . 1 .]" 1
482 1 26 ASP H 1 33 THR H 4.000 . 6.000 4.661 4.306 5.364 . 0 0 "[ . 1 .]" 1
483 1 26 ASP H 1 33 THR MG 4.000 . 6.000 4.382 3.919 4.987 . 0 0 "[ . 1 .]" 1
484 1 26 ASP HA 1 27 HIS H 3.000 . 4.500 2.141 2.080 2.396 . 0 0 "[ . 1 .]" 1
485 1 26 ASP HA 1 28 ASN H 4.000 . 6.000 3.537 3.359 3.839 . 0 0 "[ . 1 .]" 1
486 1 26 ASP HA 1 29 THR H 4.000 . 6.500 5.079 4.918 5.217 . 0 0 "[ . 1 .]" 1
487 1 26 ASP HA 1 30 LYS H 4.000 . 6.500 5.272 5.034 5.567 . 0 0 "[ . 1 .]" 1
488 1 26 ASP HA 1 31 THR H 4.000 . 6.500 4.820 4.626 5.241 . 0 0 "[ . 1 .]" 1
489 1 26 ASP QB 1 27 HIS H 4.000 . 6.000 3.830 3.753 3.923 . 0 0 "[ . 1 .]" 1
490 1 26 ASP QB 1 28 ASN H 4.000 . 6.500 3.763 3.521 3.966 . 0 0 "[ . 1 .]" 1
491 1 26 ASP QB 1 29 THR H 4.000 . 6.000 3.558 3.391 3.744 . 0 0 "[ . 1 .]" 1
492 1 26 ASP QB 1 30 LYS H 4.000 . 6.500 3.906 3.574 4.226 . 0 0 "[ . 1 .]" 1
493 1 26 ASP QB 1 31 THR H 4.000 . 4.500 2.689 2.243 2.901 . 0 0 "[ . 1 .]" 1
494 1 26 ASP QB 1 31 THR HB 4.000 . 6.000 4.218 2.701 5.065 . 0 0 "[ . 1 .]" 1
495 1 26 ASP QB 1 31 THR MG 4.000 . 6.500 2.103 1.782 2.844 0.018 4 0 "[ . 1 .]" 1
496 1 26 ASP QB 1 32 THR H 4.000 . 6.500 5.274 4.765 5.596 . 0 0 "[ . 1 .]" 1
497 1 26 ASP QB 1 32 THR HA 4.000 . 6.000 4.555 3.936 5.017 . 0 0 "[ . 1 .]" 1
498 1 26 ASP QB 1 33 THR H 4.000 . 6.000 5.402 4.719 6.016 0.016 9 0 "[ . 1 .]" 1
499 1 26 ASP QB 1 33 THR HB 4.000 . 6.000 5.113 3.956 5.870 . 0 0 "[ . 1 .]" 1
500 1 27 HIS H 1 27 HIS HB2 4.000 . 6.000 2.417 2.324 2.506 . 0 0 "[ . 1 .]" 1
501 1 27 HIS H 1 27 HIS QB 3.000 . 4.500 2.382 2.296 2.463 . 0 0 "[ . 1 .]" 1
502 1 27 HIS H 1 27 HIS HB3 4.000 . 6.000 3.601 3.578 3.623 . 0 0 "[ . 1 .]" 1
503 1 27 HIS H 1 27 HIS HD2 4.000 . 6.000 2.677 2.241 3.584 . 0 0 "[ . 1 .]" 1
504 1 27 HIS H 1 28 ASN H 3.000 . 4.500 2.555 2.335 2.725 . 0 0 "[ . 1 .]" 1
505 1 27 HIS H 1 28 ASN HB2 4.000 . 6.500 4.852 4.679 5.033 . 0 0 "[ . 1 .]" 1
506 1 27 HIS H 1 28 ASN HD21 4.000 . 6.500 3.679 3.451 4.056 . 0 0 "[ . 1 .]" 1
507 1 27 HIS H 1 29 THR H 4.000 . 6.000 4.914 4.723 5.104 . 0 0 "[ . 1 .]" 1
508 1 27 HIS H 1 30 LYS H 4.000 . 6.500 4.818 4.536 5.025 . 0 0 "[ . 1 .]" 1
509 1 27 HIS H 1 31 THR H 4.000 . 6.500 5.370 5.103 5.740 . 0 0 "[ . 1 .]" 1
510 1 27 HIS HA 1 27 HIS HD2 3.000 . 4.500 3.631 2.510 4.155 . 0 0 "[ . 1 .]" 1
511 1 27 HIS HA 1 29 THR H 4.000 . 6.000 4.879 4.742 5.061 . 0 0 "[ . 1 .]" 1
512 1 27 HIS HA 1 30 LYS H 4.000 . 6.000 3.611 3.373 3.883 . 0 0 "[ . 1 .]" 1
513 1 27 HIS HA 1 30 LYS HA 4.000 . 6.000 3.332 2.875 3.649 . 0 0 "[ . 1 .]" 1
514 1 27 HIS HA 1 30 LYS QD 4.000 . 6.500 3.531 2.709 5.081 . 0 0 "[ . 1 .]" 1
515 1 27 HIS HA 1 30 LYS HG2 4.000 . 6.500 4.838 3.403 5.833 . 0 0 "[ . 1 .]" 1
516 1 27 HIS HA 1 30 LYS QG 4.000 . 6.000 4.115 2.991 5.010 . 0 0 "[ . 1 .]" 1
517 1 27 HIS HA 1 31 THR H 4.000 . 6.000 4.754 4.295 5.262 . 0 0 "[ . 1 .]" 1
518 1 27 HIS HA 2 7 TYR QD 4.000 . 6.000 4.500 3.473 5.378 . 0 0 "[ . 1 .]" 1
519 1 27 HIS HA 2 7 TYR QE 3.000 . 4.500 4.012 2.292 4.526 0.026 4 0 "[ . 1 .]" 1
520 1 27 HIS QB 1 28 ASN H 4.000 . 6.000 3.146 2.928 3.484 . 0 0 "[ . 1 .]" 1
521 1 27 HIS HB2 1 28 ASN H 4.000 . 6.000 3.281 3.010 3.709 . 0 0 "[ . 1 .]" 1
522 1 27 HIS HB3 1 28 ASN H 4.000 . 6.000 4.057 3.849 4.227 . 0 0 "[ . 1 .]" 1
523 1 28 ASN H 1 28 ASN HB2 4.000 . 6.000 2.504 2.449 2.569 . 0 0 "[ . 1 .]" 1
524 1 28 ASN H 1 28 ASN HB3 3.000 . 4.500 3.628 3.605 3.668 . 0 0 "[ . 1 .]" 1
525 1 28 ASN H 1 28 ASN HD21 4.000 . 6.000 2.361 2.200 2.537 . 0 0 "[ . 1 .]" 1
526 1 28 ASN H 1 28 ASN HD22 4.000 . 6.000 3.524 3.346 3.806 . 0 0 "[ . 1 .]" 1
527 1 28 ASN H 1 29 THR H 3.000 . 4.500 2.755 2.536 2.919 . 0 0 "[ . 1 .]" 1
528 1 28 ASN H 1 29 THR MG 4.000 . 6.000 4.207 3.950 4.353 . 0 0 "[ . 1 .]" 1
529 1 28 ASN H 1 30 LYS H 4.000 . 6.000 3.410 3.079 3.667 . 0 0 "[ . 1 .]" 1
530 1 28 ASN H 1 30 LYS HA 4.000 . 6.500 4.909 4.583 5.244 . 0 0 "[ . 1 .]" 1
531 1 28 ASN H 1 31 THR H 4.000 . 6.500 4.966 4.576 5.289 . 0 0 "[ . 1 .]" 1
532 1 28 ASN H 1 31 THR MG 4.000 . 6.500 5.268 4.904 6.529 0.029 15 0 "[ . 1 .]" 1
533 1 28 ASN HA 1 29 THR MG 4.000 . 6.500 5.190 5.086 5.409 . 0 0 "[ . 1 .]" 1
534 1 28 ASN HA 1 30 LYS H 4.000 . 6.500 4.267 4.130 4.356 . 0 0 "[ . 1 .]" 1
535 1 28 ASN QB 1 29 THR MG 3.000 . 4.500 3.322 3.139 3.708 . 0 0 "[ . 1 .]" 1
536 1 28 ASN HB2 1 29 THR H 4.000 . 6.000 2.315 2.268 2.397 . 0 0 "[ . 1 .]" 1
537 1 28 ASN HB2 1 29 THR MG 4.000 . 6.000 3.430 3.224 3.846 . 0 0 "[ . 1 .]" 1
538 1 28 ASN HB2 1 30 LYS H 4.000 . 6.000 4.289 4.144 4.443 . 0 0 "[ . 1 .]" 1
539 1 28 ASN HB3 1 28 ASN HD22 4.000 . 6.000 4.033 4.023 4.043 . 0 0 "[ . 1 .]" 1
540 1 28 ASN HB3 1 29 THR H 4.000 . 6.000 3.348 3.295 3.396 . 0 0 "[ . 1 .]" 1
541 1 28 ASN HB3 1 29 THR MG 4.000 . 6.000 4.453 4.263 4.864 . 0 0 "[ . 1 .]" 1
542 1 28 ASN HB3 1 30 LYS H 4.000 . 6.000 5.116 5.016 5.233 . 0 0 "[ . 1 .]" 1
543 1 28 ASN QD 1 29 THR H 4.000 . 6.000 3.817 3.724 3.991 . 0 0 "[ . 1 .]" 1
544 1 28 ASN HD21 1 29 THR H 4.000 . 6.000 3.900 3.800 4.087 . 0 0 "[ . 1 .]" 1
545 1 28 ASN HD21 1 31 THR MG 4.000 . 6.500 5.811 5.457 6.658 0.158 15 0 "[ . 1 .]" 1
546 1 29 THR H 1 29 THR MG 4.000 . 4.500 2.078 1.985 2.270 . 0 0 "[ . 1 .]" 1
547 1 29 THR H 1 30 LYS H 3.000 . 4.500 2.228 2.098 2.361 . 0 0 "[ . 1 .]" 1
548 1 29 THR H 1 30 LYS HA 4.000 . 6.000 4.412 4.274 4.524 . 0 0 "[ . 1 .]" 1
549 1 29 THR H 1 31 THR H 4.000 . 6.000 3.927 3.324 4.309 . 0 0 "[ . 1 .]" 1
550 1 29 THR HA 1 29 THR MG 3.000 . 4.500 3.215 3.206 3.223 . 0 0 "[ . 1 .]" 1
551 1 29 THR HA 1 30 LYS HG2 4.000 . 6.500 4.565 3.219 6.012 . 0 0 "[ . 1 .]" 1
552 1 29 THR HA 1 30 LYS QG 4.000 . 6.500 4.082 3.142 5.234 . 0 0 "[ . 1 .]" 1
553 1 29 THR HA 1 30 LYS HG3 4.000 . 6.500 5.105 4.220 5.952 . 0 0 "[ . 1 .]" 1
554 1 29 THR HB 1 30 LYS H 4.000 . 6.000 4.367 4.229 4.466 . 0 0 "[ . 1 .]" 1
555 1 29 THR MG 1 30 LYS H 4.000 . 6.000 3.076 2.870 3.270 . 0 0 "[ . 1 .]" 1
556 1 29 THR MG 1 31 THR HA 4.000 . 6.000 4.158 3.527 4.538 . 0 0 "[ . 1 .]" 1
557 1 30 LYS H 1 30 LYS HA 3.000 . 4.500 2.265 2.252 2.283 . 0 0 "[ . 1 .]" 1
558 1 30 LYS H 1 30 LYS QD 4.000 . 6.000 3.158 2.172 4.868 . 0 0 "[ . 1 .]" 1
559 1 30 LYS H 1 30 LYS QE 4.000 . 6.000 4.094 2.746 4.920 . 0 0 "[ . 1 .]" 1
560 1 30 LYS H 1 30 LYS HG2 4.000 . 6.000 3.588 2.630 4.693 . 0 0 "[ . 1 .]" 1
561 1 30 LYS H 1 30 LYS QG 3.000 . 4.500 3.060 2.605 3.761 . 0 0 "[ . 1 .]" 1
562 1 30 LYS H 1 30 LYS HG3 4.000 . 6.000 3.959 2.854 4.442 . 0 0 "[ . 1 .]" 1
563 1 30 LYS H 1 31 THR H . . 3.000 2.843 2.615 2.979 . 0 0 "[ . 1 .]" 1
564 1 30 LYS H 1 31 THR HA 4.000 . 6.500 5.332 5.207 5.417 . 0 0 "[ . 1 .]" 1
565 1 30 LYS H 1 31 THR HB 4.000 . 6.500 4.856 4.377 5.178 . 0 0 "[ . 1 .]" 1
566 1 30 LYS H 1 31 THR MG 4.000 . 6.000 4.108 3.842 5.547 . 0 0 "[ . 1 .]" 1
567 1 30 LYS HA 1 30 LYS QD 4.000 . 6.000 2.682 1.982 4.081 . 0 0 "[ . 1 .]" 1
568 1 30 LYS HA 1 30 LYS QE 4.000 . 6.000 3.741 2.214 4.488 . 0 0 "[ . 1 .]" 1
569 1 30 LYS HA 1 30 LYS HG2 4.000 . 6.000 3.198 2.581 3.676 . 0 0 "[ . 1 .]" 1
570 1 30 LYS HA 1 30 LYS QG 2.000 . 3.000 2.683 2.300 3.022 0.022 7 0 "[ . 1 .]" 1
571 1 30 LYS HA 1 30 LYS HG3 4.000 . 6.000 3.200 2.333 3.982 . 0 0 "[ . 1 .]" 1
572 1 30 LYS HA 1 31 THR H 3.000 . 4.500 2.605 2.400 2.941 . 0 0 "[ . 1 .]" 1
573 1 30 LYS QB 1 30 LYS QE 4.000 . 6.000 2.858 1.807 3.853 . 0 0 "[ . 1 .]" 1
574 1 30 LYS QB 1 31 THR H 4.000 . 6.000 3.873 3.779 3.924 . 0 0 "[ . 1 .]" 1
575 1 30 LYS QD 1 31 THR H 4.000 . 6.500 4.790 4.303 6.081 . 0 0 "[ . 1 .]" 1
576 1 30 LYS QE 1 31 THR H 4.000 . 6.000 5.688 4.480 6.171 0.171 2 0 "[ . 1 .]" 1
577 1 31 THR H 1 31 THR HB 4.000 . 6.000 3.051 2.167 3.308 . 0 0 "[ . 1 .]" 1
578 1 31 THR H 1 31 THR MG 4.000 . 4.500 2.438 2.180 3.465 . 0 0 "[ . 1 .]" 1
579 1 31 THR H 1 32 THR H 4.000 . 6.000 4.439 4.349 4.543 . 0 0 "[ . 1 .]" 1
580 1 31 THR H 1 32 THR HA 4.000 . 6.500 4.853 4.650 5.240 . 0 0 "[ . 1 .]" 1
581 1 31 THR H 1 32 THR MG 4.000 . 6.500 4.800 4.475 6.054 . 0 0 "[ . 1 .]" 1
582 1 31 THR HA 1 31 THR MG 3.000 . 4.500 3.183 2.790 3.219 . 0 0 "[ . 1 .]" 1
583 1 31 THR HA 1 32 THR H 3.000 . 4.500 2.383 2.193 2.616 . 0 0 "[ . 1 .]" 1
584 1 31 THR HA 1 32 THR MG 4.000 . 6.000 3.835 3.496 5.375 . 0 0 "[ . 1 .]" 1
585 1 31 THR HB 1 32 THR H 4.000 . 6.000 3.902 3.630 4.286 . 0 0 "[ . 1 .]" 1
586 1 31 THR MG 1 32 THR H 4.000 . 4.500 3.171 2.522 3.533 . 0 0 "[ . 1 .]" 1
587 1 32 THR H 1 32 THR MG 4.000 . 6.000 3.074 2.737 3.914 . 0 0 "[ . 1 .]" 1
588 1 32 THR H 1 33 THR H 4.000 . 6.000 4.464 4.390 4.518 . 0 0 "[ . 1 .]" 1
589 1 32 THR H 1 33 THR MG 4.000 . 6.500 5.311 4.906 5.521 . 0 0 "[ . 1 .]" 1
590 1 32 THR HA 1 32 THR MG 3.000 . 4.500 2.275 2.223 2.352 . 0 0 "[ . 1 .]" 1
591 1 32 THR HA 1 33 THR H 3.000 . 4.500 2.275 2.213 2.343 . 0 0 "[ . 1 .]" 1
592 1 32 THR HA 1 33 THR MG 4.000 . 6.000 3.678 3.444 3.867 . 0 0 "[ . 1 .]" 1
593 1 32 THR HB 1 33 THR H 3.000 . 4.500 3.004 2.666 3.887 . 0 0 "[ . 1 .]" 1
594 1 32 THR HB 1 33 THR HA 4.000 . 6.000 4.310 4.191 4.432 . 0 0 "[ . 1 .]" 1
595 1 32 THR HB 1 33 THR MG 4.000 . 6.500 4.942 4.495 5.424 . 0 0 "[ . 1 .]" 1
596 1 32 THR MG 1 33 THR H 4.000 . 6.000 3.583 2.391 3.905 . 0 0 "[ . 1 .]" 1
597 1 33 THR H 1 33 THR HB 4.000 . 4.500 3.276 3.193 3.408 . 0 0 "[ . 1 .]" 1
598 1 33 THR H 1 33 THR MG 3.000 . 4.500 2.373 2.176 2.513 . 0 0 "[ . 1 .]" 1
599 1 33 THR HA 1 34 TRP H 3.000 . 4.500 2.316 2.182 2.404 . 0 0 "[ . 1 .]" 1
600 1 33 THR HA 1 35 GLU H 4.000 . 6.000 3.815 3.478 3.984 . 0 0 "[ . 1 .]" 1
601 1 33 THR HB 1 34 TRP H 4.000 . 6.000 3.875 3.688 4.148 . 0 0 "[ . 1 .]" 1
602 1 33 THR HB 1 35 GLU H 4.000 . 6.000 4.174 3.932 4.472 . 0 0 "[ . 1 .]" 1
603 1 33 THR MG 1 34 TRP H 4.000 . 6.500 3.473 3.246 3.988 . 0 0 "[ . 1 .]" 1
604 1 33 THR MG 1 34 TRP HA 4.000 . 6.500 3.978 3.743 4.220 . 0 0 "[ . 1 .]" 1
605 1 33 THR MG 1 35 GLU H 3.000 . 4.500 2.797 2.427 3.762 . 0 0 "[ . 1 .]" 1
606 1 33 THR MG 1 37 PRO HD2 4.000 . 6.500 5.171 4.670 5.722 . 0 0 "[ . 1 .]" 1
607 1 33 THR MG 1 37 PRO HD3 4.000 . 6.000 3.749 3.206 4.253 . 0 0 "[ . 1 .]" 1
608 1 33 THR MG 1 37 PRO HG3 4.000 . 6.500 4.234 3.040 4.866 . 0 0 "[ . 1 .]" 1
609 1 34 TRP H 1 34 TRP HB3 4.000 . 6.000 3.660 3.541 3.688 . 0 0 "[ . 1 .]" 1
610 1 34 TRP H 1 35 GLU H 4.000 . 6.000 2.146 2.082 2.236 . 0 0 "[ . 1 .]" 1
611 1 34 TRP H 1 35 GLU HA 4.000 . 6.500 4.691 4.612 4.837 . 0 0 "[ . 1 .]" 1
612 1 34 TRP H 1 35 GLU HB3 4.000 . 6.000 4.453 4.105 5.565 . 0 0 "[ . 1 .]" 1
613 1 34 TRP H 1 35 GLU HG2 4.000 . 6.500 4.502 3.142 6.525 0.025 9 0 "[ . 1 .]" 1
614 1 34 TRP H 1 35 GLU QG 4.000 . 6.500 4.194 3.104 5.745 . 0 0 "[ . 1 .]" 1
615 1 34 TRP HA 1 35 GLU QB 4.000 . 6.500 5.229 4.980 5.460 . 0 0 "[ . 1 .]" 1
616 1 34 TRP HB2 1 35 GLU H 4.000 . 6.000 3.424 3.267 3.530 . 0 0 "[ . 1 .]" 1
617 1 34 TRP HB3 1 35 GLU H 4.000 . 6.000 4.165 3.853 4.275 . 0 0 "[ . 1 .]" 1
618 1 34 TRP HD1 2 4 PRO HD2 4.000 . 6.000 5.146 4.090 5.820 . 0 0 "[ . 1 .]" 1
619 1 34 TRP HD1 2 4 PRO QD 4.000 . 6.000 4.251 3.602 4.910 . 0 0 "[ . 1 .]" 1
620 1 34 TRP HD1 2 4 PRO HD3 4.000 . 6.000 4.578 3.737 5.290 . 0 0 "[ . 1 .]" 1
621 1 34 TRP HD1 2 4 PRO HG2 4.000 . 6.000 5.525 4.634 6.063 0.063 12 0 "[ . 1 .]" 1
622 1 34 TRP HD1 2 4 PRO QG 4.000 . 6.000 4.276 3.739 4.943 . 0 0 "[ . 1 .]" 1
623 1 34 TRP HD1 2 4 PRO HG3 4.000 . 6.000 4.469 3.838 5.315 . 0 0 "[ . 1 .]" 1
624 1 34 TRP HE1 2 4 PRO HA 4.000 . 6.000 5.655 5.127 6.032 0.032 13 0 "[ . 1 .]" 1
625 1 34 TRP HH2 2 4 PRO HB3 4.000 . 6.500 4.446 3.400 6.235 . 0 0 "[ . 1 .]" 1
626 1 34 TRP HZ2 2 4 PRO QB 4.000 . 6.000 3.422 2.774 4.026 . 0 0 "[ . 1 .]" 1
627 1 34 TRP HZ2 2 4 PRO QG 4.000 . 6.000 3.429 2.867 4.381 . 0 0 "[ . 1 .]" 1
628 1 34 TRP HZ2 2 4 PRO HG3 4.000 . 6.000 3.522 2.918 4.545 . 0 0 "[ . 1 .]" 1
629 1 35 GLU H 1 35 GLU HB2 3.000 . 4.500 3.215 2.344 3.721 . 0 0 "[ . 1 .]" 1
630 1 35 GLU H 1 35 GLU HG2 4.000 . 6.000 2.939 1.817 4.630 . 0 0 "[ . 1 .]" 1
631 1 35 GLU H 1 35 GLU QG 4.000 . 6.000 2.743 1.806 4.057 . 0 0 "[ . 1 .]" 1
632 1 35 GLU H 1 35 GLU HG3 4.000 . 6.000 3.666 2.556 4.544 . 0 0 "[ . 1 .]" 1
633 1 35 GLU H 1 36 ASP H 4.000 . 6.000 4.556 4.434 4.604 . 0 0 "[ . 1 .]" 1
634 1 35 GLU HA 1 35 GLU HG2 4.000 . 6.000 3.518 2.968 3.839 . 0 0 "[ . 1 .]" 1
635 1 35 GLU HA 1 35 GLU HG3 4.000 . 6.000 3.403 2.318 4.234 . 0 0 "[ . 1 .]" 1
636 1 35 GLU HA 1 36 ASP H 2.000 . 3.000 2.312 2.124 2.477 . 0 0 "[ . 1 .]" 1
637 1 35 GLU HA 1 36 ASP HA 4.000 . 6.000 4.323 4.234 4.397 . 0 0 "[ . 1 .]" 1
638 1 35 GLU HA 1 36 ASP HB3 4.000 . 6.000 4.645 4.262 5.016 . 0 0 "[ . 1 .]" 1
639 1 35 GLU HB2 1 36 ASP H 4.000 . 6.000 3.226 2.342 4.119 . 0 0 "[ . 1 .]" 1
640 1 35 GLU HB3 1 36 ASP H 4.000 . 6.000 3.741 2.674 4.225 . 0 0 "[ . 1 .]" 1
641 1 35 GLU QG 1 36 ASP H 4.000 . 6.000 3.313 2.192 4.246 . 0 0 "[ . 1 .]" 1
642 1 35 GLU HG2 1 36 ASP H 4.000 . 6.500 4.077 2.315 5.364 . 0 0 "[ . 1 .]" 1
643 1 35 GLU HG3 1 36 ASP H 3.000 . 4.500 3.597 2.457 4.724 0.224 6 0 "[ . 1 .]" 1
644 1 36 ASP H 1 36 ASP HB2 3.000 . 4.500 2.814 2.528 3.298 . 0 0 "[ . 1 .]" 1
645 1 36 ASP H 1 36 ASP HB3 3.000 . 4.500 2.487 2.277 2.670 . 0 0 "[ . 1 .]" 1
646 1 36 ASP H 1 37 PRO HD2 4.000 . 6.500 5.045 4.817 5.215 . 0 0 "[ . 1 .]" 1
647 1 36 ASP H 1 37 PRO HD3 4.000 . 6.500 4.525 4.398 4.641 . 0 0 "[ . 1 .]" 1
648 1 36 ASP H 1 39 LEU H 4.000 . 6.500 5.411 4.869 5.879 . 0 0 "[ . 1 .]" 1
649 1 36 ASP H 1 39 LEU QD 4.000 . 6.500 3.784 2.586 5.487 . 0 0 "[ . 1 .]" 1
650 1 36 ASP H 1 40 LYS QD 4.000 . 6.500 4.706 3.294 6.276 . 0 0 "[ . 1 .]" 1
651 1 36 ASP H 1 40 LYS HG2 4.000 . 6.500 4.683 3.435 6.540 0.040 1 0 "[ . 1 .]" 1
652 1 36 ASP HA 1 37 PRO HG2 4.000 . 6.000 4.382 4.231 4.485 . 0 0 "[ . 1 .]" 1
653 1 36 ASP HA 1 37 PRO HG3 4.000 . 6.000 4.255 4.075 4.388 . 0 0 "[ . 1 .]" 1
654 1 36 ASP HA 1 38 ARG H 4.000 . 6.000 3.727 3.585 3.936 . 0 0 "[ . 1 .]" 1
655 1 36 ASP HA 1 39 LEU H 4.000 . 6.500 4.933 4.450 5.306 . 0 0 "[ . 1 .]" 1
656 1 36 ASP HA 1 39 LEU HG 4.000 . 6.500 5.133 4.410 6.408 . 0 0 "[ . 1 .]" 1
657 1 36 ASP QB 1 38 ARG H 4.000 . 6.000 3.685 3.531 3.960 . 0 0 "[ . 1 .]" 1
658 1 36 ASP QB 1 39 LEU HG 4.000 . 6.000 2.721 1.826 4.163 . 0 0 "[ . 1 .]" 1
659 1 36 ASP QB 1 40 LYS QG 4.000 . 6.000 4.104 3.446 5.123 . 0 0 "[ . 1 .]" 1
660 1 36 ASP HB2 1 38 ARG H 4.000 . 6.500 4.513 4.214 4.867 . 0 0 "[ . 1 .]" 1
661 1 36 ASP HB2 1 39 LEU H 4.000 . 6.500 4.683 4.245 5.051 . 0 0 "[ . 1 .]" 1
662 1 36 ASP HB2 1 39 LEU HG 4.000 . 6.000 4.079 3.551 5.126 . 0 0 "[ . 1 .]" 1
663 1 36 ASP HB3 1 39 LEU H 4.000 . 6.500 3.449 2.790 4.021 . 0 0 "[ . 1 .]" 1
664 1 36 ASP HB3 1 39 LEU HB3 4.000 . 6.000 4.572 3.826 5.880 . 0 0 "[ . 1 .]" 1
665 1 36 ASP HB3 1 39 LEU HG 4.000 . 6.000 2.789 1.831 4.406 . 0 0 "[ . 1 .]" 1
666 1 37 PRO HA 1 39 LEU H 4.000 . 6.500 4.470 4.101 4.680 . 0 0 "[ . 1 .]" 1
667 1 37 PRO HA 1 40 LYS QD 4.000 . 6.500 4.512 2.740 6.226 . 0 0 "[ . 1 .]" 1
668 1 37 PRO HA 1 40 LYS HG2 4.000 . 6.000 3.828 2.265 5.888 . 0 0 "[ . 1 .]" 1
669 1 37 PRO HD2 1 38 ARG H 4.000 . 6.000 2.688 2.185 3.415 . 0 0 "[ . 1 .]" 1
670 1 37 PRO HD2 1 39 LEU H 4.000 . 6.500 4.744 4.058 5.379 . 0 0 "[ . 1 .]" 1
671 1 37 PRO HD3 1 38 ARG H 4.000 . 6.000 3.900 3.650 4.290 . 0 0 "[ . 1 .]" 1
672 1 37 PRO HG2 1 38 ARG H 4.000 . 6.000 3.318 2.687 4.097 . 0 0 "[ . 1 .]" 1
673 1 37 PRO HG3 1 38 ARG H 4.000 . 6.000 4.515 4.092 5.108 . 0 0 "[ . 1 .]" 1
674 1 38 ARG H 1 38 ARG HB2 4.000 . 6.000 2.459 2.342 2.589 . 0 0 "[ . 1 .]" 1
675 1 38 ARG H 1 38 ARG QB 3.000 . 4.500 2.421 2.312 2.541 . 0 0 "[ . 1 .]" 1
676 1 38 ARG H 1 38 ARG HB3 3.000 . 4.500 3.630 3.561 3.741 . 0 0 "[ . 1 .]" 1
677 1 38 ARG H 1 38 ARG HE 4.000 . 6.500 3.798 2.316 4.982 . 0 0 "[ . 1 .]" 1
678 1 38 ARG H 1 38 ARG HG2 4.000 . 6.000 3.048 2.353 3.967 . 0 0 "[ . 1 .]" 1
679 1 38 ARG H 1 38 ARG QG 4.000 . 6.000 2.659 2.243 3.265 . 0 0 "[ . 1 .]" 1
680 1 38 ARG H 1 38 ARG HG3 4.000 . 6.000 3.500 2.266 4.436 . 0 0 "[ . 1 .]" 1
681 1 38 ARG H 1 39 LEU H 3.000 . 4.500 2.358 2.152 2.646 . 0 0 "[ . 1 .]" 1
682 1 38 ARG H 1 39 LEU HA 4.000 . 6.500 5.010 4.778 5.244 . 0 0 "[ . 1 .]" 1
683 1 38 ARG H 1 39 LEU HG 4.000 . 6.000 3.882 3.359 4.259 . 0 0 "[ . 1 .]" 1
684 1 38 ARG H 1 40 LYS QG 4.000 . 6.000 4.552 3.662 5.473 . 0 0 "[ . 1 .]" 1
685 1 38 ARG HA 1 38 ARG HD2 4.000 . 6.000 3.778 2.063 4.788 . 0 0 "[ . 1 .]" 1
686 1 38 ARG HA 1 38 ARG HG2 4.000 . 6.000 2.875 2.475 3.679 . 0 0 "[ . 1 .]" 1
687 1 38 ARG HA 1 38 ARG HG3 4.000 . 6.000 3.464 2.467 3.802 . 0 0 "[ . 1 .]" 1
688 1 38 ARG HA 1 39 LEU QD 4.000 . 6.500 5.227 4.914 5.453 . 0 0 "[ . 1 .]" 1
689 1 38 ARG QB 1 39 LEU H 4.000 . 6.000 2.648 2.368 3.090 . 0 0 "[ . 1 .]" 1
690 1 38 ARG HB3 1 38 ARG HE 4.000 . 6.000 3.085 1.935 3.676 . 0 0 "[ . 1 .]" 1
691 1 38 ARG HB3 1 39 LEU H 3.000 . 4.500 3.649 3.256 3.973 . 0 0 "[ . 1 .]" 1
692 1 38 ARG HE 1 39 LEU H 4.000 . 6.500 4.785 3.579 5.788 . 0 0 "[ . 1 .]" 1
693 1 38 ARG QG 1 39 LEU H 4.000 . 6.000 4.168 3.935 4.545 . 0 0 "[ . 1 .]" 1
694 1 39 LEU H 1 39 LEU HB2 4.000 . 6.000 3.152 2.359 3.650 . 0 0 "[ . 1 .]" 1
695 1 39 LEU H 1 39 LEU HB3 3.000 . 4.500 3.171 2.783 3.617 . 0 0 "[ . 1 .]" 1
696 1 39 LEU H 1 39 LEU QD 4.000 . 6.000 3.005 2.767 3.273 . 0 0 "[ . 1 .]" 1
697 1 39 LEU H 1 39 LEU HG 4.000 . 6.000 2.128 1.814 2.636 . 0 0 "[ . 1 .]" 1
698 1 39 LEU H 1 40 LYS H 3.000 . 4.500 2.471 2.283 2.648 . 0 0 "[ . 1 .]" 1
699 1 39 LEU H 1 40 LYS HG2 4.000 . 6.000 4.185 3.369 5.866 . 0 0 "[ . 1 .]" 1
700 1 39 LEU H 1 40 LYS QG 4.000 . 6.000 3.874 3.323 4.235 . 0 0 "[ . 1 .]" 1
701 1 39 LEU HA 1 39 LEU QD 3.000 . 4.500 2.835 1.949 3.416 . 0 0 "[ . 1 .]" 1
702 1 39 LEU HB3 1 40 LYS H 3.000 . 4.500 4.266 3.813 4.489 . 0 0 "[ . 1 .]" 1
703 1 40 LYS H 1 40 LYS HB2 4.000 . 6.000 3.331 2.491 4.007 . 0 0 "[ . 1 .]" 1
704 1 40 LYS H 1 40 LYS QD 4.000 . 6.500 4.169 3.448 4.756 . 0 0 "[ . 1 .]" 1
705 1 40 LYS H 1 41 ILE H 4.000 . 6.000 4.412 4.305 4.521 . 0 0 "[ . 1 .]" 1
706 1 40 LYS HA 1 40 LYS QD 4.000 . 6.000 3.690 1.993 4.565 . 0 0 "[ . 1 .]" 1
707 1 40 LYS HA 1 40 LYS HG3 4.000 . 6.000 3.658 2.982 3.890 . 0 0 "[ . 1 .]" 1
708 1 40 LYS HA 1 41 ILE H 3.000 . 4.500 2.310 2.161 2.508 . 0 0 "[ . 1 .]" 1
709 1 40 LYS HB2 1 41 ILE H 4.000 . 6.000 3.260 2.402 4.231 . 0 0 "[ . 1 .]" 1
710 1 40 LYS QD 1 41 ILE H 4.000 . 6.500 4.503 3.758 5.642 . 0 0 "[ . 1 .]" 1
711 1 41 ILE H 1 41 ILE HB 4.000 . 6.000 3.146 2.554 3.893 . 0 0 "[ . 1 .]" 1
712 1 41 ILE H 1 41 ILE HG12 4.000 . 6.500 3.463 1.912 4.790 . 0 0 "[ . 1 .]" 1
713 1 41 ILE H 1 41 ILE HG13 4.000 . 6.500 3.436 2.104 4.769 . 0 0 "[ . 1 .]" 1
714 1 41 ILE H 1 41 ILE MG 4.000 . 6.500 3.097 1.892 3.879 . 0 0 "[ . 1 .]" 1
715 1 41 ILE HA 1 41 ILE MD 4.000 . 6.500 3.516 2.056 4.199 . 0 0 "[ . 1 .]" 1
716 1 41 ILE QG 1 41 ILE MG 3.000 . 4.500 2.268 2.078 2.366 . 0 0 "[ . 1 .]" 1
717 1 41 ILE MG 1 42 PRO HD3 4.000 . 6.000 3.836 3.260 4.559 . 0 0 "[ . 1 .]" 1
718 1 42 PRO HA 1 43 ALA H 3.000 . 4.500 2.243 2.127 2.490 . 0 0 "[ . 1 .]" 1
719 2 2 ALA HA 2 3 PRO HB2 4.000 . 6.500 5.287 5.024 5.624 . 0 0 "[ . 1 .]" 1
720 2 2 ALA HA 2 3 PRO HG2 4.000 . 6.500 4.358 4.117 4.527 . 0 0 "[ . 1 .]" 1
721 2 2 ALA HA 2 3 PRO HG3 4.000 . 6.500 4.186 3.906 4.605 . 0 0 "[ . 1 .]" 1
722 2 2 ALA MB 2 3 PRO HD2 4.000 . 6.500 2.858 2.054 3.610 . 0 0 "[ . 1 .]" 1
723 2 2 ALA MB 2 3 PRO QD 4.000 . 6.000 2.703 2.039 3.175 . 0 0 "[ . 1 .]" 1
724 2 2 ALA MB 2 3 PRO HD3 4.000 . 6.000 3.495 3.121 4.028 . 0 0 "[ . 1 .]" 1
725 2 3 PRO HA 2 4 PRO QD 3.000 . 4.500 1.994 1.800 2.282 . 0 0 "[ . 1 .]" 1
726 2 3 PRO QB 2 4 PRO QD 3.000 . 4.500 2.685 2.031 3.118 . 0 0 "[ . 1 .]" 1
727 2 3 PRO QD 2 4 PRO QD 4.000 . 6.000 4.609 4.490 4.703 . 0 0 "[ . 1 .]" 1
728 2 4 PRO HA 2 5 PRO HB2 4.000 . 6.500 5.324 5.077 5.598 . 0 0 "[ . 1 .]" 1
729 2 4 PRO HA 2 5 PRO HB3 4.000 . 6.000 5.206 4.839 5.529 . 0 0 "[ . 1 .]" 1
730 2 4 PRO HA 2 5 PRO HG2 4.000 . 6.500 4.390 4.144 4.620 . 0 0 "[ . 1 .]" 1
731 2 4 PRO HA 2 5 PRO HG3 4.000 . 6.500 4.153 3.807 4.490 . 0 0 "[ . 1 .]" 1
732 2 4 PRO QB 2 5 PRO QD 4.000 . 4.500 2.726 2.340 3.177 . 0 0 "[ . 1 .]" 1
733 2 4 PRO HB2 2 5 PRO HA 4.000 . 6.000 4.946 4.822 5.066 . 0 0 "[ . 1 .]" 1
734 2 4 PRO HB3 2 5 PRO HD3 4.000 . 6.000 3.983 3.423 4.680 . 0 0 "[ . 1 .]" 1
735 2 4 PRO HB3 2 10 LEU MD2 4.000 . 6.500 5.232 4.371 6.533 0.033 15 0 "[ . 1 .]" 1
736 2 4 PRO HG2 2 5 PRO HA 4.000 . 6.500 5.620 5.346 6.124 . 0 0 "[ . 1 .]" 1
737 2 5 PRO HA 2 6 ALA H 3.000 . 4.500 2.348 2.164 2.483 . 0 0 "[ . 1 .]" 1
738 2 5 PRO HA 2 6 ALA MB 4.000 . 6.500 4.079 4.001 4.163 . 0 0 "[ . 1 .]" 1
739 2 5 PRO HA 2 9 THR MG 4.000 . 6.000 3.653 3.066 3.952 . 0 0 "[ . 1 .]" 1
740 2 5 PRO QB 2 9 THR MG 4.000 . 6.000 2.189 1.916 2.558 . 0 0 "[ . 1 .]" 1
741 2 5 PRO HG3 2 6 ALA H 4.000 . 6.000 5.039 4.763 5.535 . 0 0 "[ . 1 .]" 1
742 2 6 ALA H 2 6 ALA MB 3.000 . 4.500 2.246 2.224 2.276 . 0 0 "[ . 1 .]" 1
743 2 6 ALA H 2 7 TYR H 4.000 . 6.000 4.606 4.546 4.638 . 0 0 "[ . 1 .]" 1
744 2 6 ALA H 2 9 THR HB 4.000 . 6.000 4.130 2.417 5.122 . 0 0 "[ . 1 .]" 1
745 2 6 ALA H 2 9 THR MG 4.000 . 4.500 2.686 2.239 3.077 . 0 0 "[ . 1 .]" 1
746 2 6 ALA H 2 10 LEU MD2 4.000 . 6.500 4.429 4.130 5.011 . 0 0 "[ . 1 .]" 1
747 2 6 ALA H 2 10 LEU HG 4.000 . 6.500 5.157 4.316 5.679 . 0 0 "[ . 1 .]" 1
748 2 6 ALA HA 2 7 TYR HA 4.000 . 6.000 4.278 4.240 4.315 . 0 0 "[ . 1 .]" 1
749 2 6 ALA HA 2 7 TYR QB 4.000 . 6.000 4.160 4.073 4.244 . 0 0 "[ . 1 .]" 1
750 2 6 ALA HA 2 7 TYR HB3 4.000 . 6.500 4.854 4.613 5.022 . 0 0 "[ . 1 .]" 1
751 2 6 ALA HA 2 9 THR MG 4.000 . 6.000 4.422 3.826 5.320 . 0 0 "[ . 1 .]" 1
752 2 6 ALA MB 2 7 TYR H 4.000 . 6.000 2.526 2.160 2.783 . 0 0 "[ . 1 .]" 1
753 2 6 ALA MB 2 7 TYR QD 4.000 . 6.500 5.378 5.229 5.598 . 0 0 "[ . 1 .]" 1
754 2 6 ALA MB 2 8 ALA H 4.000 . 6.500 2.750 2.473 3.024 . 0 0 "[ . 1 .]" 1
755 2 6 ALA MB 2 9 THR H 4.000 . 6.500 2.983 2.616 3.295 . 0 0 "[ . 1 .]" 1
756 2 6 ALA MB 2 10 LEU MD2 4.000 . 6.500 4.609 4.332 5.363 . 0 0 "[ . 1 .]" 1
757 2 7 TYR H 2 7 TYR HB2 4.000 . 6.000 2.482 2.277 2.610 . 0 0 "[ . 1 .]" 1
758 2 7 TYR H 2 7 TYR HB3 4.000 . 6.000 2.538 2.402 2.746 . 0 0 "[ . 1 .]" 1
759 2 7 TYR H 2 7 TYR QD 4.000 . 6.000 4.172 4.093 4.211 . 0 0 "[ . 1 .]" 1
760 2 7 TYR H 2 8 ALA H 4.000 . 6.000 2.715 2.589 2.822 . 0 0 "[ . 1 .]" 1
761 2 7 TYR H 2 9 THR MG 4.000 . 6.000 5.035 4.481 6.070 0.070 2 0 "[ . 1 .]" 1
762 2 7 TYR H 2 10 LEU MD1 4.000 . 6.500 4.583 3.621 5.312 . 0 0 "[ . 1 .]" 1
763 2 7 TYR HA 2 7 TYR QD 4.000 . 6.500 2.728 2.415 3.115 . 0 0 "[ . 1 .]" 1
764 2 7 TYR HA 2 7 TYR QE 4.000 . 6.500 4.621 4.473 4.756 . 0 0 "[ . 1 .]" 1
765 2 7 TYR HA 2 9 THR H 4.000 . 6.000 4.002 3.744 4.731 . 0 0 "[ . 1 .]" 1
766 2 7 TYR HA 2 9 THR MG 4.000 . 6.000 4.979 4.273 6.125 0.125 6 0 "[ . 1 .]" 1
767 2 7 TYR HA 2 10 LEU H 4.000 . 6.000 3.377 2.842 3.704 . 0 0 "[ . 1 .]" 1
768 2 7 TYR HA 2 10 LEU HB2 4.000 . 6.500 4.268 1.854 5.010 . 0 0 "[ . 1 .]" 1
769 2 7 TYR HA 2 10 LEU MD1 4.000 . 6.500 2.354 1.857 2.938 . 0 0 "[ . 1 .]" 1
770 2 7 TYR HA 2 10 LEU MD2 4.000 . 6.500 2.706 1.950 4.242 . 0 0 "[ . 1 .]" 1
771 2 7 TYR HA 2 10 LEU HG 4.000 . 6.500 2.214 1.783 2.851 0.017 13 0 "[ . 1 .]" 1
772 2 7 TYR HB2 2 8 ALA H 4.000 . 6.000 3.960 3.744 4.209 . 0 0 "[ . 1 .]" 1
773 2 7 TYR HB2 2 8 ALA HA 4.000 . 6.500 5.611 5.519 5.694 . 0 0 "[ . 1 .]" 1
774 2 7 TYR HB2 2 9 THR H 4.000 . 6.500 5.656 5.384 6.130 . 0 0 "[ . 1 .]" 1
775 2 7 TYR HB3 2 8 ALA H 4.000 . 6.000 2.779 2.504 3.247 . 0 0 "[ . 1 .]" 1
776 2 7 TYR QD 2 8 ALA H 4.000 . 6.000 3.815 3.365 4.513 . 0 0 "[ . 1 .]" 1
777 2 7 TYR QD 2 8 ALA HA 4.000 . 6.500 3.645 3.064 4.239 . 0 0 "[ . 1 .]" 1
778 2 7 TYR QD 2 8 ALA MB 4.000 . 6.500 3.994 3.361 5.068 . 0 0 "[ . 1 .]" 1
779 2 7 TYR QD 2 9 THR H 4.000 . 6.500 5.423 5.160 5.763 . 0 0 "[ . 1 .]" 1
780 2 7 TYR QD 2 10 LEU H 4.000 . 6.500 5.190 4.717 5.597 . 0 0 "[ . 1 .]" 1
781 2 7 TYR QD 2 10 LEU MD1 4.000 . 6.500 2.676 1.882 3.363 . 0 0 "[ . 1 .]" 1
782 2 7 TYR QE 2 8 ALA H 4.000 . 6.500 5.845 5.443 6.476 . 0 0 "[ . 1 .]" 1
783 2 7 TYR QE 2 8 ALA HA 4.000 . 6.500 4.980 4.364 5.951 . 0 0 "[ . 1 .]" 1
784 2 7 TYR QE 2 10 LEU MD1 4.000 . 6.500 3.705 3.075 4.788 . 0 0 "[ . 1 .]" 1
785 2 8 ALA H 2 8 ALA MB 3.000 . 4.500 2.240 2.218 2.263 . 0 0 "[ . 1 .]" 1
786 2 8 ALA H 2 9 THR H 4.000 . 6.000 2.617 2.372 2.803 . 0 0 "[ . 1 .]" 1
787 2 8 ALA H 2 9 THR HA 4.000 . 6.500 5.211 5.004 5.357 . 0 0 "[ . 1 .]" 1
788 2 8 ALA H 2 9 THR HB 4.000 . 6.500 4.962 4.542 5.262 . 0 0 "[ . 1 .]" 1
789 2 8 ALA H 2 9 THR MG 4.000 . 6.500 4.478 3.920 5.691 . 0 0 "[ . 1 .]" 1
790 2 8 ALA H 2 10 LEU H 4.000 . 6.500 4.045 3.692 4.229 . 0 0 "[ . 1 .]" 1
791 2 8 ALA H 2 10 LEU HB3 4.000 . 6.500 6.480 6.169 6.622 0.122 8 0 "[ . 1 .]" 1
792 2 8 ALA H 2 10 LEU MD1 4.000 . 6.500 5.028 4.770 5.373 . 0 0 "[ . 1 .]" 1
793 2 8 ALA H 2 10 LEU HG 4.000 . 6.500 4.456 4.241 4.790 . 0 0 "[ . 1 .]" 1
794 2 8 ALA HA 2 10 LEU H 4.000 . 6.500 4.277 3.985 4.591 . 0 0 "[ . 1 .]" 1
795 2 8 ALA MB 2 9 THR H 4.000 . 6.000 2.895 2.418 3.158 . 0 0 "[ . 1 .]" 1
796 2 8 ALA MB 2 9 THR HA 4.000 . 6.500 3.963 3.772 4.100 . 0 0 "[ . 1 .]" 1
797 2 9 THR H 2 9 THR MG 4.000 . 6.000 2.565 2.041 3.740 . 0 0 "[ . 1 .]" 1
798 2 9 THR H 2 10 LEU H 3.000 . 4.500 2.244 2.007 2.593 . 0 0 "[ . 1 .]" 1
799 2 9 THR H 2 10 LEU HB3 4.000 . 6.500 4.963 4.477 5.680 . 0 0 "[ . 1 .]" 1
800 2 9 THR H 2 10 LEU MD1 4.000 . 6.500 4.765 4.519 5.237 . 0 0 "[ . 1 .]" 1
801 2 9 THR H 2 10 LEU MD2 4.000 . 6.500 4.533 4.176 4.813 . 0 0 "[ . 1 .]" 1
802 2 9 THR H 2 10 LEU HG 4.000 . 6.000 3.578 3.308 4.052 . 0 0 "[ . 1 .]" 1
803 2 9 THR HA 2 11 GLY H 4.000 . 6.500 3.993 3.387 4.474 . 0 0 "[ . 1 .]" 1
804 2 9 THR MG 2 10 LEU H 4.000 . 6.500 2.977 2.454 3.689 . 0 0 "[ . 1 .]" 1
805 2 9 THR MG 2 11 GLY H 4.000 . 6.500 4.615 4.281 5.075 . 0 0 "[ . 1 .]" 1
806 2 10 LEU H 2 10 LEU HB2 4.000 . 6.000 3.409 2.333 3.764 . 0 0 "[ . 1 .]" 1
807 2 10 LEU H 2 10 LEU HB3 4.000 . 6.000 3.044 2.718 3.617 . 0 0 "[ . 1 .]" 1
808 2 10 LEU H 2 10 LEU MD1 4.000 . 6.000 3.355 2.989 3.908 . 0 0 "[ . 1 .]" 1
809 2 10 LEU H 2 10 LEU MD2 4.000 . 6.000 3.435 3.182 3.736 . 0 0 "[ . 1 .]" 1
810 2 10 LEU H 2 10 LEU HG 3.000 . 4.500 2.117 1.868 2.787 . 0 0 "[ . 1 .]" 1
811 2 10 LEU H 2 11 GLY H 4.000 . 6.000 2.299 1.944 2.429 . 0 0 "[ . 1 .]" 1
812 2 10 LEU H 2 11 GLY HA2 4.000 . 6.500 4.897 4.683 5.071 . 0 0 "[ . 1 .]" 1
813 2 10 LEU HA 2 10 LEU MD1 4.000 . 6.500 3.687 3.622 3.844 . 0 0 "[ . 1 .]" 1
814 2 10 LEU HA 2 10 LEU MD2 4.000 . 6.000 3.639 1.881 4.086 . 0 0 "[ . 1 .]" 1
815 2 10 LEU QB 2 11 GLY H 3.000 . 4.500 3.590 2.521 3.943 . 0 0 "[ . 1 .]" 1
816 2 10 LEU QB 2 11 GLY QA 4.000 . 6.000 4.106 3.572 4.277 . 0 0 "[ . 1 .]" 1
817 2 10 LEU HB2 2 11 GLY H 4.000 . 6.000 3.915 2.575 4.359 . 0 0 "[ . 1 .]" 1
818 2 10 LEU HB3 2 11 GLY H 4.000 . 6.000 4.220 3.600 4.500 . 0 0 "[ . 1 .]" 1
819 2 10 LEU QD 2 11 GLY H 4.000 . 6.000 3.016 2.458 4.370 . 0 0 "[ . 1 .]" 1
820 2 10 LEU MD1 2 11 GLY H 4.000 . 6.500 3.166 2.473 5.179 . 0 0 "[ . 1 .]" 1
821 2 10 LEU MD2 2 11 GLY H 4.000 . 6.500 4.567 4.310 4.985 . 0 0 "[ . 1 .]" 1
822 2 10 LEU HG 2 11 GLY H 4.000 . 6.000 3.382 2.744 4.796 . 0 0 "[ . 1 .]" 1
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