NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390769 |
1oqa   |
6114 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1oqa
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 1375
_Distance_constraint_stats_list.Viol_count 1498
_Distance_constraint_stats_list.Viol_total 408.930
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0182
_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 GLN 0.041 0.041 12 0 "[ . 1 .]"
1 4 ASP 0.377 0.052 13 0 "[ . 1 .]"
1 5 ARG 0.601 0.052 1 0 "[ . 1 .]"
1 6 LYS 0.888 0.052 1 0 "[ . 1 .]"
1 7 ILE 1.483 0.069 12 0 "[ . 1 .]"
1 8 PHE 1.611 0.052 12 0 "[ . 1 .]"
1 9 ARG 0.892 0.048 1 0 "[ . 1 .]"
1 10 GLY 1.173 0.048 1 0 "[ . 1 .]"
1 11 LEU 1.976 0.065 13 0 "[ . 1 .]"
1 12 GLU 0.647 0.065 13 0 "[ . 1 .]"
1 13 ILE 0.334 0.027 15 0 "[ . 1 .]"
1 14 CYS 1.561 0.050 10 0 "[ . 1 .]"
1 15 CYS 0.118 0.018 7 0 "[ . 1 .]"
1 16 TYR 0.199 0.027 7 0 "[ . 1 .]"
1 17 GLY 0.068 0.040 4 0 "[ . 1 .]"
1 18 PRO 0.183 0.040 4 0 "[ . 1 .]"
1 19 PHE 1.016 0.046 8 0 "[ . 1 .]"
1 20 THR 0.551 0.046 8 0 "[ . 1 .]"
1 22 MET 0.043 0.018 15 0 "[ . 1 .]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 24 THR 0.258 0.043 12 0 "[ . 1 .]"
1 25 ASP 1.281 0.056 12 0 "[ . 1 .]"
1 26 GLN 1.335 0.056 12 0 "[ . 1 .]"
1 27 LEU 0.421 0.032 8 0 "[ . 1 .]"
1 28 GLU 1.489 0.074 13 0 "[ . 1 .]"
1 29 TRP 2.749 0.074 6 0 "[ . 1 .]"
1 30 MET 2.227 0.074 6 0 "[ . 1 .]"
1 31 VAL 2.662 0.082 13 0 "[ . 1 .]"
1 32 GLN 1.617 0.082 13 0 "[ . 1 .]"
1 33 LEU 0.438 0.057 6 0 "[ . 1 .]"
1 34 CYS 0.240 0.032 9 0 "[ . 1 .]"
1 35 GLY 0.388 0.032 15 0 "[ . 1 .]"
1 36 ALA 0.618 0.059 11 0 "[ . 1 .]"
1 37 SER 0.559 0.059 11 0 "[ . 1 .]"
1 38 VAL 0.397 0.049 13 0 "[ . 1 .]"
1 39 VAL 1.414 0.050 10 0 "[ . 1 .]"
1 40 LYS 0.450 0.049 15 0 "[ . 1 .]"
1 41 GLU 0.662 0.116 12 0 "[ . 1 .]"
1 42 LEU 0.276 0.116 12 0 "[ . 1 .]"
1 43 SER 0.000 0.000 . 0 "[ . 1 .]"
1 44 SER 0.045 0.011 12 0 "[ . 1 .]"
1 45 PHE 0.176 0.022 7 0 "[ . 1 .]"
1 46 THR 0.026 0.009 9 0 "[ . 1 .]"
1 47 LEU 0.037 0.028 13 0 "[ . 1 .]"
1 48 GLY 0.028 0.028 13 0 "[ . 1 .]"
1 49 THR 0.000 0.000 . 0 "[ . 1 .]"
1 50 GLY 0.224 0.042 8 0 "[ . 1 .]"
1 51 VAL 0.431 0.042 8 0 "[ . 1 .]"
1 52 HIS 0.008 0.005 2 0 "[ . 1 .]"
1 53 PRO 0.051 0.008 8 0 "[ . 1 .]"
1 54 ILE 0.607 0.035 8 0 "[ . 1 .]"
1 55 VAL 0.209 0.113 5 0 "[ . 1 .]"
1 56 VAL 1.845 0.084 15 0 "[ . 1 .]"
1 57 VAL 0.391 0.043 15 0 "[ . 1 .]"
1 58 GLN 0.047 0.044 7 0 "[ . 1 .]"
1 59 PRO 0.010 0.006 14 0 "[ . 1 .]"
1 60 ASP 0.503 0.054 12 0 "[ . 1 .]"
1 61 ALA 0.503 0.054 12 0 "[ . 1 .]"
1 62 TRP 0.080 0.012 12 0 "[ . 1 .]"
1 63 THR 0.341 0.052 5 0 "[ . 1 .]"
1 64 GLU 0.341 0.052 5 0 "[ . 1 .]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 67 GLY 0.027 0.009 3 0 "[ . 1 .]"
1 68 PHE 0.394 0.063 4 0 "[ . 1 .]"
1 69 HIS 0.032 0.016 10 0 "[ . 1 .]"
1 70 ALA 0.037 0.016 10 0 "[ . 1 .]"
1 71 ILE 0.667 0.063 4 0 "[ . 1 .]"
1 72 GLY 0.001 0.001 4 0 "[ . 1 .]"
1 73 GLN 0.030 0.013 6 0 "[ . 1 .]"
1 74 MET 0.062 0.013 6 0 "[ . 1 .]"
1 75 CYS 0.018 0.007 13 0 "[ . 1 .]"
1 76 GLU 0.012 0.012 13 0 "[ . 1 .]"
1 77 ALA 0.026 0.012 13 0 "[ . 1 .]"
1 78 PRO 0.252 0.024 9 0 "[ . 1 .]"
1 79 VAL 0.282 0.113 5 0 "[ . 1 .]"
1 80 VAL 1.417 0.084 15 0 "[ . 1 .]"
1 81 THR 0.627 0.044 7 0 "[ . 1 .]"
1 82 ARG 0.835 0.043 13 0 "[ . 1 .]"
1 83 GLU 0.367 0.027 6 0 "[ . 1 .]"
1 84 TRP 2.825 0.100 14 0 "[ . 1 .]"
1 85 VAL 2.480 0.100 14 0 "[ . 1 .]"
1 86 LEU 1.075 0.049 11 0 "[ . 1 .]"
1 87 ASP 0.108 0.015 11 0 "[ . 1 .]"
1 88 SER 0.325 0.024 1 0 "[ . 1 .]"
1 89 VAL 0.208 0.022 6 0 "[ . 1 .]"
1 90 ALA 0.179 0.022 10 0 "[ . 1 .]"
1 91 LEU 0.156 0.022 10 0 "[ . 1 .]"
1 92 TYR 0.515 0.069 12 0 "[ . 1 .]"
1 93 GLN 0.010 0.004 8 0 "[ . 1 .]"
1 94 CYS 0.049 0.012 5 0 "[ . 1 .]"
1 95 GLN 0.078 0.008 8 0 "[ . 1 .]"
1 96 GLU 0.039 0.010 13 0 "[ . 1 .]"
1 97 LEU 0.352 0.027 7 0 "[ . 1 .]"
1 98 ASP 0.216 0.027 7 0 "[ . 1 .]"
1 99 THR 0.005 0.005 9 0 "[ . 1 .]"
1 100 TYR 0.439 0.029 8 0 "[ . 1 .]"
1 101 LEU 0.700 0.052 10 0 "[ . 1 .]"
1 102 ILE 0.112 0.026 2 0 "[ . 1 .]"
1 103 PRO 0.243 0.051 1 0 "[ . 1 .]"
1 104 GLN 0.166 0.051 1 0 "[ . 1 .]"
1 105 ILE 0.006 0.006 13 0 "[ . 1 .]"
1 106 PRO 0.006 0.006 13 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 GLN HA 1 4 ASP H 3.500 . 3.500 2.419 2.140 3.541 0.041 12 0 "[ . 1 .]" 1
2 1 3 GLN HB3 1 4 ASP H 5.000 . 5.000 3.865 2.432 4.337 . 0 0 "[ . 1 .]" 1
3 1 3 GLN HB2 1 4 ASP H 5.000 . 5.000 4.263 2.506 4.672 . 0 0 "[ . 1 .]" 1
4 1 4 ASP H 1 5 ARG HB2 5.000 . 5.000 4.751 4.217 5.008 0.008 12 0 "[ . 1 .]" 1
5 1 4 ASP HA 1 5 ARG H 3.500 . 3.500 3.217 2.545 3.552 0.052 13 0 "[ . 1 .]" 1
6 1 4 ASP HB3 1 5 ARG H 3.500 . 3.500 2.722 1.961 3.502 0.002 2 0 "[ . 1 .]" 1
7 1 4 ASP HB2 1 5 ARG H 3.500 . 3.500 3.114 2.036 3.510 0.010 8 0 "[ . 1 .]" 1
8 1 5 ARG H 1 6 LYS H 3.500 . 3.500 2.992 2.419 3.514 0.014 15 0 "[ . 1 .]" 1
9 1 5 ARG HA 1 6 LYS H 3.500 . 3.500 2.779 2.217 3.552 0.052 1 0 "[ . 1 .]" 1
10 1 5 ARG HG2 1 6 LYS H 5.000 . 5.000 4.279 3.679 4.726 . 0 0 "[ . 1 .]" 1
11 1 5 ARG QD 1 7 ILE MG 5.000 . 5.000 4.486 3.949 5.000 0.000 14 0 "[ . 1 .]" 1
12 1 6 LYS HA 1 7 ILE H 3.500 . 3.500 2.282 2.146 2.523 . 0 0 "[ . 1 .]" 1
13 1 6 LYS HB2 1 7 ILE H 5.000 . 5.000 3.528 2.156 4.093 . 0 0 "[ . 1 .]" 1
14 1 6 LYS HD3 1 7 ILE H 5.000 . 5.000 4.900 4.399 5.015 0.015 3 0 "[ . 1 .]" 1
15 1 6 LYS HD2 1 7 ILE H 5.000 . 5.000 4.605 4.059 5.000 0.000 12 0 "[ . 1 .]" 1
16 1 6 LYS HA 1 8 PHE H 5.000 . 5.000 3.919 3.632 4.196 . 0 0 "[ . 1 .]" 1
17 1 6 LYS HB3 1 8 PHE H 5.000 . 5.000 3.178 2.861 4.360 . 0 0 "[ . 1 .]" 1
18 1 6 LYS HB2 1 8 PHE H 5.000 . 5.000 3.326 2.491 3.581 . 0 0 "[ . 1 .]" 1
19 1 6 LYS HB2 1 9 ARG H 5.000 . 5.000 2.523 2.272 2.946 . 0 0 "[ . 1 .]" 1
20 1 6 LYS HG3 1 9 ARG H 6.000 . 6.000 3.978 2.169 4.232 . 0 0 "[ . 1 .]" 1
21 1 6 LYS HG3 1 9 ARG HB3 6.000 . 6.000 5.470 4.079 6.012 0.012 4 0 "[ . 1 .]" 1
22 1 6 LYS HA 1 34 CYS HA 3.500 . 3.500 3.500 3.345 3.532 0.032 9 0 "[ . 1 .]" 1
23 1 6 LYS HB3 1 35 GLY HA3 3.500 . 3.500 2.167 1.923 3.192 . 0 0 "[ . 1 .]" 1
24 1 6 LYS HB2 1 35 GLY H 5.000 . 5.000 4.863 3.489 5.032 0.032 15 0 "[ . 1 .]" 1
25 1 6 LYS HB2 1 35 GLY HA3 5.000 . 5.000 2.637 2.016 2.963 . 0 0 "[ . 1 .]" 1
26 1 6 LYS HB2 1 35 GLY HA2 5.000 . 5.000 3.506 2.872 3.800 . 0 0 "[ . 1 .]" 1
27 1 6 LYS HG2 1 35 GLY H 6.000 . 6.000 5.717 5.514 6.025 0.025 7 0 "[ . 1 .]" 1
28 1 6 LYS HG2 1 35 GLY HA2 5.000 . 5.000 4.356 4.192 4.518 . 0 0 "[ . 1 .]" 1
29 1 6 LYS HD3 1 35 GLY H 5.000 . 5.000 4.376 3.854 5.004 0.004 13 0 "[ . 1 .]" 1
30 1 6 LYS HD3 1 35 GLY HA3 5.000 . 5.000 4.267 2.460 4.980 . 0 0 "[ . 1 .]" 1
31 1 6 LYS HD3 1 35 GLY HA2 5.000 . 5.000 3.724 2.017 4.372 . 0 0 "[ . 1 .]" 1
32 1 6 LYS HD2 1 35 GLY H 5.000 . 5.000 3.140 2.642 5.008 0.008 3 0 "[ . 1 .]" 1
33 1 6 LYS HD2 1 35 GLY HA3 5.000 . 5.000 2.925 1.966 3.538 . 0 0 "[ . 1 .]" 1
34 1 6 LYS HD2 1 35 GLY HA2 5.000 . 5.000 2.390 1.984 3.137 . 0 0 "[ . 1 .]" 1
35 1 6 LYS HA 1 92 TYR QD 5.000 . 5.000 4.767 4.266 5.003 0.003 6 0 "[ . 1 .]" 1
36 1 6 LYS HA 1 92 TYR QE 6.000 . 6.000 3.398 2.638 3.962 . 0 0 "[ . 1 .]" 1
37 1 7 ILE H 1 8 PHE H 3.500 . 3.500 2.316 1.889 2.645 . 0 0 "[ . 1 .]" 1
38 1 7 ILE HA 1 8 PHE H 5.000 . 5.000 3.438 3.408 3.461 . 0 0 "[ . 1 .]" 1
39 1 7 ILE HB 1 8 PHE H 5.000 . 5.000 3.943 3.867 4.063 . 0 0 "[ . 1 .]" 1
40 1 7 ILE HG13 1 8 PHE H 3.500 . 3.500 2.294 2.191 2.411 . 0 0 "[ . 1 .]" 1
41 1 7 ILE HG13 1 8 PHE HB3 5.000 . 5.000 5.017 4.932 5.052 0.052 12 0 "[ . 1 .]" 1
42 1 7 ILE HG13 1 8 PHE QD 5.000 . 5.000 3.603 2.158 3.831 . 0 0 "[ . 1 .]" 1
43 1 7 ILE HG13 1 8 PHE QE 6.000 . 6.000 4.334 3.315 4.561 . 0 0 "[ . 1 .]" 1
44 1 7 ILE HG12 1 8 PHE H 5.000 . 5.000 3.902 3.587 4.060 . 0 0 "[ . 1 .]" 1
45 1 7 ILE HG12 1 8 PHE QD 6.000 . 6.000 4.805 3.850 4.964 . 0 0 "[ . 1 .]" 1
46 1 7 ILE HG12 1 8 PHE QE 6.000 . 6.000 4.989 4.501 5.345 . 0 0 "[ . 1 .]" 1
47 1 7 ILE MG 1 8 PHE H 6.000 . 6.000 4.158 4.102 4.249 . 0 0 "[ . 1 .]" 1
48 1 7 ILE MG 1 8 PHE QD 6.000 . 6.000 5.131 4.323 5.330 . 0 0 "[ . 1 .]" 1
49 1 7 ILE MD 1 8 PHE H 6.000 . 6.000 3.535 3.273 4.043 . 0 0 "[ . 1 .]" 1
50 1 7 ILE MD 1 8 PHE QD 6.000 . 6.000 2.724 2.376 3.611 . 0 0 "[ . 1 .]" 1
51 1 7 ILE MD 1 8 PHE QE 6.000 . 6.000 2.513 2.148 3.158 . 0 0 "[ . 1 .]" 1
52 1 7 ILE MD 1 8 PHE HZ 6.000 . 6.000 3.131 2.931 3.708 . 0 0 "[ . 1 .]" 1
53 1 7 ILE H 1 9 ARG H 6.000 . 6.000 4.071 3.682 4.412 . 0 0 "[ . 1 .]" 1
54 1 7 ILE HB 1 9 ARG H 6.000 . 6.000 6.004 5.815 6.042 0.042 13 0 "[ . 1 .]" 1
55 1 7 ILE MD 1 31 VAL HA 6.000 . 6.000 4.845 4.610 5.228 . 0 0 "[ . 1 .]" 1
56 1 7 ILE H 1 34 CYS HA 5.000 . 5.000 3.116 2.912 3.376 . 0 0 "[ . 1 .]" 1
57 1 7 ILE H 1 34 CYS HB3 5.000 . 5.000 3.448 3.279 3.594 . 0 0 "[ . 1 .]" 1
58 1 7 ILE H 1 34 CYS HB2 5.000 . 5.000 4.926 4.736 5.011 0.011 1 0 "[ . 1 .]" 1
59 1 7 ILE HG13 1 34 CYS H 6.000 . 6.000 5.189 5.070 5.373 . 0 0 "[ . 1 .]" 1
60 1 7 ILE HG13 1 34 CYS HB3 5.000 . 5.000 1.989 1.911 2.214 . 0 0 "[ . 1 .]" 1
61 1 7 ILE HG13 1 34 CYS HB2 5.000 . 5.000 3.688 3.379 3.919 . 0 0 "[ . 1 .]" 1
62 1 7 ILE HG12 1 34 CYS HB3 5.000 . 5.000 2.902 2.530 3.219 . 0 0 "[ . 1 .]" 1
63 1 7 ILE HG12 1 34 CYS HB2 5.000 . 5.000 4.316 4.202 4.555 . 0 0 "[ . 1 .]" 1
64 1 7 ILE MG 1 34 CYS HB3 6.000 . 6.000 4.423 4.179 4.635 . 0 0 "[ . 1 .]" 1
65 1 7 ILE MD 1 34 CYS HB3 6.000 . 6.000 2.132 1.956 2.449 . 0 0 "[ . 1 .]" 1
66 1 7 ILE MD 1 34 CYS HB2 6.000 . 6.000 3.253 3.043 3.597 . 0 0 "[ . 1 .]" 1
67 1 7 ILE HG13 1 88 SER HB3 5.000 . 5.000 4.878 4.558 5.008 0.008 6 0 "[ . 1 .]" 1
68 1 7 ILE MG 1 88 SER HB3 5.000 . 5.000 5.013 5.001 5.024 0.024 1 0 "[ . 1 .]" 1
69 1 7 ILE MD 1 88 SER HA 6.000 . 6.000 3.577 3.244 3.728 . 0 0 "[ . 1 .]" 1
70 1 7 ILE MD 1 88 SER HB3 5.000 . 5.000 2.238 2.072 2.364 . 0 0 "[ . 1 .]" 1
71 1 7 ILE MD 1 88 SER HB2 5.000 . 5.000 3.509 3.370 3.675 . 0 0 "[ . 1 .]" 1
72 1 7 ILE MG 1 89 VAL HA 6.000 . 6.000 5.150 4.859 5.552 . 0 0 "[ . 1 .]" 1
73 1 7 ILE MD 1 89 VAL H 6.000 . 6.000 4.426 4.083 4.659 . 0 0 "[ . 1 .]" 1
74 1 7 ILE MD 1 89 VAL HA 5.000 . 5.000 3.833 3.043 4.185 . 0 0 "[ . 1 .]" 1
75 1 7 ILE MD 1 89 VAL MG1 6.000 . 6.000 4.988 4.444 5.303 . 0 0 "[ . 1 .]" 1
76 1 7 ILE MD 1 89 VAL MG2 6.000 . 6.000 3.744 3.386 3.995 . 0 0 "[ . 1 .]" 1
77 1 7 ILE HG13 1 92 TYR QD 3.500 . 3.500 3.534 3.525 3.569 0.069 12 0 "[ . 1 .]" 1
78 1 7 ILE MG 1 92 TYR H 6.000 . 6.000 4.687 4.507 4.908 . 0 0 "[ . 1 .]" 1
79 1 7 ILE MG 1 92 TYR HA 6.000 . 6.000 2.866 2.597 3.202 . 0 0 "[ . 1 .]" 1
80 1 7 ILE MG 1 92 TYR QD 5.000 . 5.000 1.947 1.863 2.398 . 0 0 "[ . 1 .]" 1
81 1 7 ILE MG 1 92 TYR QE 6.000 . 6.000 3.370 2.548 3.681 . 0 0 "[ . 1 .]" 1
82 1 7 ILE MD 1 92 TYR H 6.000 . 6.000 4.490 3.722 4.872 . 0 0 "[ . 1 .]" 1
83 1 7 ILE MD 1 92 TYR HA 5.000 . 5.000 3.129 1.979 3.544 . 0 0 "[ . 1 .]" 1
84 1 7 ILE MD 1 92 TYR QD 6.000 . 6.000 3.128 1.953 3.477 . 0 0 "[ . 1 .]" 1
85 1 7 ILE HB 1 93 GLN H 5.000 . 5.000 3.838 3.689 4.038 . 0 0 "[ . 1 .]" 1
86 1 7 ILE HB 1 93 GLN HA 6.000 . 6.000 2.476 2.237 2.739 . 0 0 "[ . 1 .]" 1
87 1 7 ILE HG13 1 93 GLN HA 5.000 . 5.000 4.851 4.676 5.004 0.004 8 0 "[ . 1 .]" 1
88 1 7 ILE MG 1 93 GLN H 6.000 . 6.000 2.965 2.806 3.100 . 0 0 "[ . 1 .]" 1
89 1 7 ILE MG 1 93 GLN HA 5.000 . 5.000 2.060 1.881 2.432 . 0 0 "[ . 1 .]" 1
90 1 7 ILE MD 1 93 GLN H 5.000 . 5.000 2.205 1.839 2.537 . 0 0 "[ . 1 .]" 1
91 1 7 ILE MD 1 93 GLN HA 6.000 . 6.000 3.052 2.627 3.338 . 0 0 "[ . 1 .]" 1
92 1 7 ILE HB 1 94 CYS H 5.000 . 5.000 2.423 2.214 2.778 . 0 0 "[ . 1 .]" 1
93 1 7 ILE HB 1 94 CYS HB3 5.000 . 5.000 4.403 3.356 4.948 . 0 0 "[ . 1 .]" 1
94 1 7 ILE HB 1 94 CYS HB2 5.000 . 5.000 3.492 2.697 4.973 . 0 0 "[ . 1 .]" 1
95 1 7 ILE MG 1 94 CYS H 5.000 . 5.000 3.379 2.907 3.658 . 0 0 "[ . 1 .]" 1
96 1 7 ILE MG 1 94 CYS HB3 6.000 . 6.000 5.443 4.840 5.866 . 0 0 "[ . 1 .]" 1
97 1 7 ILE MD 1 94 CYS H 6.000 . 6.000 2.897 2.569 3.193 . 0 0 "[ . 1 .]" 1
98 1 7 ILE MD 1 94 CYS HA 5.000 . 5.000 2.606 2.279 3.206 . 0 0 "[ . 1 .]" 1
99 1 7 ILE MD 1 94 CYS HB3 6.000 . 6.000 4.162 2.530 5.002 . 0 0 "[ . 1 .]" 1
100 1 7 ILE MD 1 95 GLN H 6.000 . 6.000 3.862 3.618 4.194 . 0 0 "[ . 1 .]" 1
101 1 8 PHE H 1 9 ARG H 3.500 . 3.500 2.319 2.221 2.363 . 0 0 "[ . 1 .]" 1
102 1 8 PHE H 1 9 ARG HA 5.000 . 5.000 4.585 4.540 4.625 . 0 0 "[ . 1 .]" 1
103 1 8 PHE H 1 9 ARG HB3 5.000 . 5.000 4.895 4.590 5.004 0.004 9 0 "[ . 1 .]" 1
104 1 8 PHE H 1 9 ARG HB2 6.000 . 6.000 4.738 4.319 5.912 . 0 0 "[ . 1 .]" 1
105 1 8 PHE HA 1 9 ARG H 5.000 . 5.000 3.550 3.510 3.565 . 0 0 "[ . 1 .]" 1
106 1 8 PHE H 1 11 LEU MD1 6.000 . 6.000 4.495 4.323 4.802 . 0 0 "[ . 1 .]" 1
107 1 8 PHE HA 1 11 LEU HG 5.000 . 5.000 5.020 5.003 5.033 0.033 2 0 "[ . 1 .]" 1
108 1 8 PHE HA 1 11 LEU MD1 6.000 . 6.000 2.408 2.360 2.523 . 0 0 "[ . 1 .]" 1
109 1 8 PHE HA 1 11 LEU MD2 5.000 . 5.000 4.925 4.767 5.030 0.030 1 0 "[ . 1 .]" 1
110 1 8 PHE HB3 1 11 LEU MD1 6.000 . 6.000 2.072 1.824 2.604 . 0 0 "[ . 1 .]" 1
111 1 8 PHE HB3 1 11 LEU MD2 6.000 . 6.000 3.764 3.734 3.796 . 0 0 "[ . 1 .]" 1
112 1 8 PHE HB2 1 11 LEU MD1 5.000 . 5.000 3.425 3.201 3.860 . 0 0 "[ . 1 .]" 1
113 1 8 PHE HB2 1 11 LEU MD2 5.000 . 5.000 5.010 4.951 5.028 0.028 9 0 "[ . 1 .]" 1
114 1 8 PHE QD 1 11 LEU MD1 6.000 . 6.000 2.383 2.086 2.577 . 0 0 "[ . 1 .]" 1
115 1 8 PHE QD 1 11 LEU MD2 5.000 . 5.000 3.905 3.007 4.048 . 0 0 "[ . 1 .]" 1
116 1 8 PHE QE 1 11 LEU MD1 6.000 . 6.000 3.392 2.967 3.633 . 0 0 "[ . 1 .]" 1
117 1 8 PHE QE 1 11 LEU MD2 6.000 . 6.000 4.251 3.450 4.418 . 0 0 "[ . 1 .]" 1
118 1 8 PHE HA 1 13 ILE MD 6.000 . 6.000 5.472 5.132 5.831 . 0 0 "[ . 1 .]" 1
119 1 8 PHE HB3 1 13 ILE MD 5.000 . 5.000 3.914 3.599 4.271 . 0 0 "[ . 1 .]" 1
120 1 8 PHE HB2 1 13 ILE MD 5.000 . 5.000 4.563 4.283 4.902 . 0 0 "[ . 1 .]" 1
121 1 8 PHE QD 1 13 ILE MD 5.000 . 5.000 3.008 2.349 3.128 . 0 0 "[ . 1 .]" 1
122 1 8 PHE QE 1 13 ILE MG 5.000 . 5.000 4.964 4.570 5.014 0.014 15 0 "[ . 1 .]" 1
123 1 8 PHE QE 1 13 ILE MD 6.000 . 6.000 2.645 1.942 2.895 . 0 0 "[ . 1 .]" 1
124 1 8 PHE HZ 1 13 ILE MD 6.000 . 6.000 3.594 3.345 3.856 . 0 0 "[ . 1 .]" 1
125 1 8 PHE QD 1 31 VAL HA 5.000 . 5.000 3.421 3.217 4.246 . 0 0 "[ . 1 .]" 1
126 1 8 PHE QD 1 31 VAL HB 5.000 . 5.000 3.396 3.291 3.617 . 0 0 "[ . 1 .]" 1
127 1 8 PHE QD 1 31 VAL MG2 6.000 . 6.000 4.594 4.503 4.848 . 0 0 "[ . 1 .]" 1
128 1 8 PHE QE 1 31 VAL HA 5.000 . 5.000 2.125 1.930 3.248 . 0 0 "[ . 1 .]" 1
129 1 8 PHE QE 1 31 VAL HB 5.000 . 5.000 2.821 2.589 3.069 . 0 0 "[ . 1 .]" 1
130 1 8 PHE QE 1 31 VAL MG2 5.000 . 5.000 4.224 4.050 4.408 . 0 0 "[ . 1 .]" 1
131 1 8 PHE HZ 1 31 VAL MG2 6.000 . 6.000 5.965 5.770 6.023 0.023 15 0 "[ . 1 .]" 1
132 1 8 PHE H 1 34 CYS HB3 3.500 . 3.500 3.157 2.980 3.469 . 0 0 "[ . 1 .]" 1
133 1 8 PHE H 1 34 CYS HB2 5.000 . 5.000 4.579 4.177 4.933 . 0 0 "[ . 1 .]" 1
134 1 8 PHE QD 1 34 CYS H 5.000 . 5.000 3.905 3.642 5.001 0.001 4 0 "[ . 1 .]" 1
135 1 8 PHE QD 1 34 CYS HA 6.000 . 6.000 4.688 4.516 4.931 . 0 0 "[ . 1 .]" 1
136 1 8 PHE QD 1 34 CYS HB3 5.000 . 5.000 2.888 2.574 3.277 . 0 0 "[ . 1 .]" 1
137 1 8 PHE QD 1 34 CYS HB2 5.000 . 5.000 2.656 2.361 3.338 . 0 0 "[ . 1 .]" 1
138 1 8 PHE QE 1 34 CYS HB3 5.000 . 5.000 3.378 3.216 3.707 . 0 0 "[ . 1 .]" 1
139 1 8 PHE QE 1 34 CYS HB2 5.000 . 5.000 2.675 2.453 3.523 . 0 0 "[ . 1 .]" 1
140 1 8 PHE H 1 36 ALA MB 6.000 . 6.000 5.071 4.718 5.456 . 0 0 "[ . 1 .]" 1
141 1 8 PHE HA 1 36 ALA MB 6.000 . 6.000 4.801 4.389 5.372 . 0 0 "[ . 1 .]" 1
142 1 8 PHE HB3 1 36 ALA H 5.000 . 5.000 3.575 3.055 4.488 . 0 0 "[ . 1 .]" 1
143 1 8 PHE HB3 1 36 ALA HA 5.000 . 5.000 3.218 2.895 3.591 . 0 0 "[ . 1 .]" 1
144 1 8 PHE HB3 1 36 ALA MB 5.000 . 5.000 2.745 2.290 3.440 . 0 0 "[ . 1 .]" 1
145 1 8 PHE HB2 1 36 ALA H 5.000 . 5.000 2.606 2.004 3.684 . 0 0 "[ . 1 .]" 1
146 1 8 PHE HB2 1 36 ALA HA 5.000 . 5.000 3.625 3.313 4.051 . 0 0 "[ . 1 .]" 1
147 1 8 PHE HB2 1 36 ALA MB 5.000 . 5.000 3.131 2.775 3.564 . 0 0 "[ . 1 .]" 1
148 1 8 PHE QD 1 36 ALA H 5.000 . 5.000 2.157 1.901 3.798 . 0 0 "[ . 1 .]" 1
149 1 8 PHE QD 1 36 ALA MB 5.000 . 5.000 1.893 1.835 2.040 . 0 0 "[ . 1 .]" 1
150 1 8 PHE QD 1 84 TRP HZ3 5.000 . 5.000 4.991 4.623 5.038 0.038 5 0 "[ . 1 .]" 1
151 1 8 PHE QE 1 84 TRP HH2 5.000 . 5.000 3.034 2.535 3.180 . 0 0 "[ . 1 .]" 1
152 1 8 PHE QE 1 84 TRP HZ2 5.000 . 5.000 2.635 2.273 4.062 . 0 0 "[ . 1 .]" 1
153 1 8 PHE QE 1 84 TRP HZ3 6.000 . 6.000 3.509 2.561 3.711 . 0 0 "[ . 1 .]" 1
154 1 8 PHE HZ 1 84 TRP HE3 5.000 . 5.000 4.188 4.096 4.324 . 0 0 "[ . 1 .]" 1
155 1 8 PHE QD 1 85 VAL MG1 6.000 . 6.000 5.646 5.459 5.798 . 0 0 "[ . 1 .]" 1
156 1 8 PHE QD 1 85 VAL MG2 6.000 . 6.000 5.919 5.687 6.009 0.009 3 0 "[ . 1 .]" 1
157 1 8 PHE QE 1 85 VAL HA 5.000 . 5.000 4.156 4.021 4.337 . 0 0 "[ . 1 .]" 1
158 1 8 PHE QE 1 85 VAL MG1 5.000 . 5.000 3.816 3.612 4.108 . 0 0 "[ . 1 .]" 1
159 1 8 PHE QE 1 85 VAL MG2 6.000 . 6.000 4.173 3.901 4.339 . 0 0 "[ . 1 .]" 1
160 1 8 PHE HZ 1 85 VAL HA 3.500 . 3.500 3.283 3.135 3.464 . 0 0 "[ . 1 .]" 1
161 1 8 PHE HZ 1 85 VAL MG1 5.000 . 5.000 4.183 3.998 4.459 . 0 0 "[ . 1 .]" 1
162 1 8 PHE HZ 1 85 VAL MG2 6.000 . 6.000 4.072 3.803 4.326 . 0 0 "[ . 1 .]" 1
163 1 8 PHE QE 1 88 SER HB3 5.000 . 5.000 3.110 2.186 3.352 . 0 0 "[ . 1 .]" 1
164 1 8 PHE QE 1 88 SER HB2 5.000 . 5.000 3.810 3.247 4.063 . 0 0 "[ . 1 .]" 1
165 1 8 PHE HZ 1 88 SER H 6.000 . 6.000 5.109 4.988 5.327 . 0 0 "[ . 1 .]" 1
166 1 8 PHE HZ 1 88 SER HB3 3.500 . 3.500 2.936 2.694 3.127 . 0 0 "[ . 1 .]" 1
167 1 8 PHE HZ 1 88 SER HB2 3.500 . 3.500 2.803 2.666 3.060 . 0 0 "[ . 1 .]" 1
168 1 8 PHE HZ 1 89 VAL H 5.000 . 5.000 4.870 4.736 5.003 0.003 4 0 "[ . 1 .]" 1
169 1 8 PHE HZ 1 89 VAL MG2 5.000 . 5.000 3.863 3.705 4.128 . 0 0 "[ . 1 .]" 1
170 1 8 PHE QD 1 94 CYS HA 3.500 . 3.500 3.455 3.184 3.512 0.012 5 0 "[ . 1 .]" 1
171 1 8 PHE QE 1 94 CYS HA 5.000 . 5.000 2.231 2.015 2.499 . 0 0 "[ . 1 .]" 1
172 1 8 PHE HZ 1 94 CYS HA 6.000 . 6.000 4.290 3.908 4.487 . 0 0 "[ . 1 .]" 1
173 1 8 PHE QE 1 95 GLN H 5.000 . 5.000 3.730 3.469 3.931 . 0 0 "[ . 1 .]" 1
174 1 9 ARG H 1 10 GLY H 3.500 . 3.500 3.534 3.522 3.548 0.048 1 0 "[ . 1 .]" 1
175 1 9 ARG HA 1 10 GLY H 2.500 . 2.500 2.262 2.232 2.330 . 0 0 "[ . 1 .]" 1
176 1 9 ARG HB3 1 10 GLY H 5.000 . 5.000 4.474 4.434 4.574 . 0 0 "[ . 1 .]" 1
177 1 9 ARG HB2 1 10 GLY H 5.000 . 5.000 4.469 4.018 4.607 . 0 0 "[ . 1 .]" 1
178 1 9 ARG QG 1 10 GLY H 5.000 . 5.000 3.752 3.506 4.444 . 0 0 "[ . 1 .]" 1
179 1 9 ARG HA 1 11 LEU H 5.000 . 5.000 4.962 4.798 5.026 0.026 11 0 "[ . 1 .]" 1
180 1 9 ARG HA 1 35 GLY HA2 5.000 . 5.000 4.007 3.750 4.522 . 0 0 "[ . 1 .]" 1
181 1 9 ARG HA 1 36 ALA HA 6.000 . 6.000 5.539 5.052 5.951 . 0 0 "[ . 1 .]" 1
182 1 10 GLY H 1 11 LEU H 3.500 . 3.500 2.882 2.729 3.046 . 0 0 "[ . 1 .]" 1
183 1 10 GLY HA3 1 11 LEU H 3.500 . 3.500 3.531 3.521 3.539 0.039 2 0 "[ . 1 .]" 1
184 1 10 GLY HA2 1 11 LEU H 3.500 . 3.500 2.404 2.360 2.475 . 0 0 "[ . 1 .]" 1
185 1 10 GLY HA3 1 51 VAL HA 5.000 . 5.000 3.138 3.028 3.345 . 0 0 "[ . 1 .]" 1
186 1 10 GLY HA2 1 51 VAL HA 3.500 . 3.500 3.509 3.493 3.519 0.019 12 0 "[ . 1 .]" 1
187 1 10 GLY HA2 1 51 VAL MG1 5.000 . 5.000 2.870 1.967 4.163 . 0 0 "[ . 1 .]" 1
188 1 10 GLY HA2 1 51 VAL MG2 5.000 . 5.000 4.296 2.829 5.010 0.010 10 0 "[ . 1 .]" 1
189 1 10 GLY HA2 1 52 HIS H 6.000 . 6.000 4.903 4.607 5.095 . 0 0 "[ . 1 .]" 1
190 1 11 LEU H 1 12 GLU H 5.000 . 5.000 4.352 4.077 4.436 . 0 0 "[ . 1 .]" 1
191 1 11 LEU HA 1 12 GLU H 2.500 . 2.500 2.322 2.158 2.385 . 0 0 "[ . 1 .]" 1
192 1 11 LEU HB3 1 12 GLU H 5.000 . 5.000 3.228 2.766 4.075 . 0 0 "[ . 1 .]" 1
193 1 11 LEU HB2 1 12 GLU H 5.000 . 5.000 4.146 4.011 4.509 . 0 0 "[ . 1 .]" 1
194 1 11 LEU MD1 1 12 GLU H 5.000 . 5.000 4.380 4.074 4.839 . 0 0 "[ . 1 .]" 1
195 1 11 LEU MD1 1 12 GLU HA 6.000 . 6.000 5.939 5.732 6.065 0.065 13 0 "[ . 1 .]" 1
196 1 11 LEU MD2 1 12 GLU H 5.000 . 5.000 2.097 1.878 2.771 . 0 0 "[ . 1 .]" 1
197 1 11 LEU HB2 1 13 ILE MD 6.000 . 6.000 3.876 3.513 4.103 . 0 0 "[ . 1 .]" 1
198 1 11 LEU MD2 1 13 ILE MD 6.000 . 6.000 2.052 1.805 2.421 . 0 0 "[ . 1 .]" 1
199 1 11 LEU H 1 36 ALA H 5.000 . 5.000 4.938 4.779 5.016 0.016 4 0 "[ . 1 .]" 1
200 1 11 LEU H 1 36 ALA HA 3.500 . 3.500 2.367 2.194 2.555 . 0 0 "[ . 1 .]" 1
201 1 11 LEU H 1 36 ALA MB 6.000 . 6.000 3.824 3.543 4.053 . 0 0 "[ . 1 .]" 1
202 1 11 LEU HB3 1 36 ALA H 5.000 . 5.000 4.304 4.006 4.836 . 0 0 "[ . 1 .]" 1
203 1 11 LEU HB3 1 36 ALA HA 5.000 . 5.000 2.437 2.029 2.746 . 0 0 "[ . 1 .]" 1
204 1 11 LEU HB3 1 36 ALA MB 5.000 . 5.000 1.939 1.871 2.068 . 0 0 "[ . 1 .]" 1
205 1 11 LEU HB2 1 36 ALA H 5.000 . 5.000 4.538 3.839 5.017 0.017 3 0 "[ . 1 .]" 1
206 1 11 LEU HB2 1 36 ALA HA 5.000 . 5.000 2.817 2.254 3.552 . 0 0 "[ . 1 .]" 1
207 1 11 LEU MD1 1 36 ALA HA 5.000 . 5.000 4.176 3.856 4.553 . 0 0 "[ . 1 .]" 1
208 1 11 LEU MD2 1 36 ALA H 6.000 . 6.000 5.409 5.101 6.018 0.018 7 0 "[ . 1 .]" 1
209 1 11 LEU MD2 1 36 ALA HA 6.000 . 6.000 4.044 3.623 4.414 . 0 0 "[ . 1 .]" 1
210 1 11 LEU HB3 1 37 SER H 6.000 . 6.000 3.526 3.258 3.909 . 0 0 "[ . 1 .]" 1
211 1 11 LEU HB2 1 37 SER H 6.000 . 6.000 4.672 3.920 5.240 . 0 0 "[ . 1 .]" 1
212 1 11 LEU H 1 52 HIS H 6.000 . 6.000 4.428 4.197 4.703 . 0 0 "[ . 1 .]" 1
213 1 11 LEU HA 1 52 HIS H 5.000 . 5.000 2.076 1.908 2.483 . 0 0 "[ . 1 .]" 1
214 1 11 LEU HA 1 52 HIS HB3 5.000 . 5.000 3.965 3.143 4.814 . 0 0 "[ . 1 .]" 1
215 1 11 LEU HA 1 52 HIS HB2 5.000 . 5.000 3.500 2.762 4.382 . 0 0 "[ . 1 .]" 1
216 1 11 LEU MD1 1 52 HIS H 5.000 . 5.000 4.485 4.199 4.865 . 0 0 "[ . 1 .]" 1
217 1 11 LEU MD1 1 52 HIS HB3 5.000 . 5.000 3.887 3.060 4.751 . 0 0 "[ . 1 .]" 1
218 1 11 LEU MD1 1 52 HIS HB2 5.000 . 5.000 3.786 3.200 4.746 . 0 0 "[ . 1 .]" 1
219 1 11 LEU MD2 1 52 HIS HB2 6.000 . 6.000 3.609 2.282 5.073 . 0 0 "[ . 1 .]" 1
220 1 11 LEU HB3 1 54 ILE MD 6.000 . 6.000 5.594 5.244 6.005 0.005 5 0 "[ . 1 .]" 1
221 1 11 LEU HB2 1 54 ILE MD 6.000 . 6.000 6.022 6.005 6.035 0.035 8 0 "[ . 1 .]" 1
222 1 11 LEU HG 1 54 ILE MG 6.000 . 6.000 5.700 5.131 6.018 0.018 9 0 "[ . 1 .]" 1
223 1 11 LEU HG 1 54 ILE MD 6.000 . 6.000 4.058 3.875 4.211 . 0 0 "[ . 1 .]" 1
224 1 11 LEU MD1 1 54 ILE MD 6.000 . 6.000 3.828 3.451 4.138 . 0 0 "[ . 1 .]" 1
225 1 11 LEU MD2 1 54 ILE HB 6.000 . 6.000 2.979 2.408 3.307 . 0 0 "[ . 1 .]" 1
226 1 11 LEU MD2 1 54 ILE MG 6.000 . 6.000 3.368 3.037 3.483 . 0 0 "[ . 1 .]" 1
227 1 11 LEU MD2 1 54 ILE MD 6.000 . 6.000 2.717 2.390 3.151 . 0 0 "[ . 1 .]" 1
228 1 11 LEU MD1 1 84 TRP HH2 6.000 . 6.000 2.623 1.968 3.090 . 0 0 "[ . 1 .]" 1
229 1 11 LEU MD1 1 84 TRP HZ2 5.000 . 5.000 3.258 2.540 3.707 . 0 0 "[ . 1 .]" 1
230 1 11 LEU MD1 1 84 TRP HZ3 5.000 . 5.000 4.660 4.086 5.016 0.016 9 0 "[ . 1 .]" 1
231 1 11 LEU MD2 1 84 TRP HH2 5.000 . 5.000 2.415 2.202 2.676 . 0 0 "[ . 1 .]" 1
232 1 11 LEU MD2 1 84 TRP HZ2 5.000 . 5.000 3.793 3.565 4.199 . 0 0 "[ . 1 .]" 1
233 1 11 LEU MD2 1 84 TRP HZ3 6.000 . 6.000 3.863 3.495 4.183 . 0 0 "[ . 1 .]" 1
234 1 12 GLU HA 1 13 ILE H 2.500 . 2.500 2.154 2.143 2.162 . 0 0 "[ . 1 .]" 1
235 1 12 GLU HA 1 13 ILE HB 5.000 . 5.000 4.769 4.683 4.857 . 0 0 "[ . 1 .]" 1
236 1 12 GLU HA 1 13 ILE HG13 5.000 . 5.000 3.867 3.773 3.981 . 0 0 "[ . 1 .]" 1
237 1 12 GLU HB3 1 13 ILE H 5.000 . 5.000 3.700 3.462 3.907 . 0 0 "[ . 1 .]" 1
238 1 12 GLU QG 1 13 ILE H 5.000 . 5.000 3.812 3.524 4.132 . 0 0 "[ . 1 .]" 1
239 1 12 GLU HA 1 36 ALA MB 5.000 . 5.000 3.404 3.241 3.593 . 0 0 "[ . 1 .]" 1
240 1 12 GLU H 1 37 SER H 5.000 . 5.000 4.180 4.013 4.480 . 0 0 "[ . 1 .]" 1
241 1 12 GLU HA 1 37 SER H 3.500 . 3.500 2.385 2.145 2.754 . 0 0 "[ . 1 .]" 1
242 1 12 GLU HA 1 37 SER HB3 3.500 . 3.500 3.368 3.100 3.503 0.003 5 0 "[ . 1 .]" 1
243 1 12 GLU HA 1 37 SER HB2 3.500 . 3.500 3.469 3.264 3.506 0.006 2 0 "[ . 1 .]" 1
244 1 12 GLU QG 1 37 SER H 3.500 . 3.500 3.459 3.199 3.518 0.018 5 0 "[ . 1 .]" 1
245 1 12 GLU QG 1 37 SER HA 5.000 . 5.000 4.640 4.307 4.911 . 0 0 "[ . 1 .]" 1
246 1 12 GLU QG 1 37 SER HB3 5.000 . 5.000 2.379 1.982 2.743 . 0 0 "[ . 1 .]" 1
247 1 12 GLU QG 1 37 SER HB2 5.000 . 5.000 2.767 2.347 3.142 . 0 0 "[ . 1 .]" 1
248 1 12 GLU HA 1 39 VAL HB 6.000 . 6.000 5.655 4.925 6.013 0.013 4 0 "[ . 1 .]" 1
249 1 12 GLU HA 1 39 VAL MG1 5.000 . 5.000 5.016 4.999 5.046 0.046 5 0 "[ . 1 .]" 1
250 1 12 GLU HA 1 39 VAL MG2 5.000 . 5.000 2.833 2.538 3.004 . 0 0 "[ . 1 .]" 1
251 1 12 GLU HB3 1 39 VAL MG2 5.000 . 5.000 1.918 1.815 2.151 . 0 0 "[ . 1 .]" 1
252 1 12 GLU HB2 1 39 VAL MG2 6.000 . 6.000 3.352 3.191 3.559 . 0 0 "[ . 1 .]" 1
253 1 12 GLU QG 1 39 VAL MG1 6.000 . 6.000 3.513 2.629 4.551 . 0 0 "[ . 1 .]" 1
254 1 12 GLU QG 1 39 VAL MG2 6.000 . 6.000 2.345 1.706 3.173 . 0 0 "[ . 1 .]" 1
255 1 12 GLU HB3 1 45 PHE QD 5.000 . 5.000 2.329 1.988 2.672 . 0 0 "[ . 1 .]" 1
256 1 12 GLU HB3 1 45 PHE QE 5.000 . 5.000 2.356 1.984 2.878 . 0 0 "[ . 1 .]" 1
257 1 12 GLU HB2 1 45 PHE QD 5.000 . 5.000 3.102 2.724 3.407 . 0 0 "[ . 1 .]" 1
258 1 12 GLU HB2 1 45 PHE QE 5.000 . 5.000 3.647 3.179 4.294 . 0 0 "[ . 1 .]" 1
259 1 12 GLU QG 1 45 PHE QD 5.000 . 5.000 3.623 2.520 4.211 . 0 0 "[ . 1 .]" 1
260 1 12 GLU QG 1 45 PHE QE 5.000 . 5.000 4.169 3.526 4.970 . 0 0 "[ . 1 .]" 1
261 1 12 GLU H 1 51 VAL MG1 6.000 . 6.000 4.160 2.114 5.137 . 0 0 "[ . 1 .]" 1
262 1 12 GLU H 1 52 HIS H 5.000 . 5.000 3.581 3.009 4.042 . 0 0 "[ . 1 .]" 1
263 1 12 GLU H 1 53 PRO HA 3.500 . 3.500 3.457 3.303 3.508 0.008 8 0 "[ . 1 .]" 1
264 1 12 GLU HB3 1 53 PRO HA 5.000 . 5.000 3.135 2.864 3.660 . 0 0 "[ . 1 .]" 1
265 1 12 GLU HB2 1 53 PRO HA 5.000 . 5.000 2.652 2.291 3.024 . 0 0 "[ . 1 .]" 1
266 1 12 GLU QG 1 53 PRO HA 6.000 . 6.000 4.524 4.130 4.859 . 0 0 "[ . 1 .]" 1
267 1 13 ILE HA 1 14 CYS H 2.500 . 2.500 2.155 2.131 2.205 . 0 0 "[ . 1 .]" 1
268 1 13 ILE HB 1 14 CYS H 5.000 . 5.000 4.083 3.890 4.198 . 0 0 "[ . 1 .]" 1
269 1 13 ILE HB 1 14 CYS HA 5.000 . 5.000 4.702 4.580 4.799 . 0 0 "[ . 1 .]" 1
270 1 13 ILE HG12 1 14 CYS H 5.000 . 5.000 4.877 4.668 5.013 0.013 4 0 "[ . 1 .]" 1
271 1 13 ILE MG 1 14 CYS H 5.000 . 5.000 2.559 2.248 2.771 . 0 0 "[ . 1 .]" 1
272 1 13 ILE MG 1 14 CYS HA 6.000 . 6.000 3.784 3.608 3.971 . 0 0 "[ . 1 .]" 1
273 1 13 ILE MG 1 15 CYS HA 6.000 . 6.000 4.295 4.118 4.532 . 0 0 "[ . 1 .]" 1
274 1 13 ILE MD 1 27 LEU MD1 6.000 . 6.000 5.512 4.176 6.003 0.003 1 0 "[ . 1 .]" 1
275 1 13 ILE HB 1 31 VAL HB 5.000 . 5.000 3.263 3.045 3.450 . 0 0 "[ . 1 .]" 1
276 1 13 ILE HB 1 31 VAL MG1 5.000 . 5.000 2.714 2.407 2.982 . 0 0 "[ . 1 .]" 1
277 1 13 ILE HG13 1 31 VAL HB 5.000 . 5.000 4.542 4.448 4.683 . 0 0 "[ . 1 .]" 1
278 1 13 ILE HG13 1 31 VAL MG1 5.000 . 5.000 4.252 4.055 4.421 . 0 0 "[ . 1 .]" 1
279 1 13 ILE MG 1 31 VAL HB 5.000 . 5.000 4.181 3.992 4.350 . 0 0 "[ . 1 .]" 1
280 1 13 ILE MD 1 31 VAL HA 6.000 . 6.000 3.563 3.450 3.663 . 0 0 "[ . 1 .]" 1
281 1 13 ILE MD 1 31 VAL HB 5.000 . 5.000 1.892 1.838 1.961 . 0 0 "[ . 1 .]" 1
282 1 13 ILE MD 1 31 VAL MG1 5.000 . 5.000 1.952 1.881 2.128 . 0 0 "[ . 1 .]" 1
283 1 13 ILE MD 1 34 CYS HB3 6.000 . 6.000 5.202 4.907 5.904 . 0 0 "[ . 1 .]" 1
284 1 13 ILE MD 1 34 CYS HB2 6.000 . 6.000 4.607 4.458 4.725 . 0 0 "[ . 1 .]" 1
285 1 13 ILE H 1 36 ALA MB 5.000 . 5.000 3.167 2.955 3.416 . 0 0 "[ . 1 .]" 1
286 1 13 ILE MG 1 36 ALA MB 6.000 . 6.000 4.362 4.267 4.476 . 0 0 "[ . 1 .]" 1
287 1 13 ILE MD 1 36 ALA H 6.000 . 6.000 4.101 3.977 4.503 . 0 0 "[ . 1 .]" 1
288 1 13 ILE MD 1 36 ALA HA 6.000 . 6.000 3.708 3.602 3.862 . 0 0 "[ . 1 .]" 1
289 1 13 ILE MD 1 36 ALA MB 5.000 . 5.000 1.677 1.652 1.743 . 0 0 "[ . 1 .]" 1
290 1 13 ILE H 1 37 SER H 5.000 . 5.000 3.191 2.917 3.835 . 0 0 "[ . 1 .]" 1
291 1 13 ILE HB 1 37 SER H 6.000 . 6.000 4.984 4.775 5.415 . 0 0 "[ . 1 .]" 1
292 1 13 ILE HG13 1 37 SER H 5.000 . 5.000 4.595 4.362 5.000 0.000 5 0 "[ . 1 .]" 1
293 1 13 ILE MD 1 37 SER H 6.000 . 6.000 3.536 3.428 3.950 . 0 0 "[ . 1 .]" 1
294 1 13 ILE HB 1 38 VAL HA 5.000 . 5.000 4.455 4.167 4.700 . 0 0 "[ . 1 .]" 1
295 1 13 ILE H 1 39 VAL H 5.000 . 5.000 3.643 3.210 3.811 . 0 0 "[ . 1 .]" 1
296 1 13 ILE H 1 39 VAL MG1 6.000 . 6.000 5.198 4.900 5.359 . 0 0 "[ . 1 .]" 1
297 1 13 ILE H 1 39 VAL MG2 6.000 . 6.000 2.620 2.260 2.854 . 0 0 "[ . 1 .]" 1
298 1 13 ILE HA 1 39 VAL MG2 6.000 . 6.000 3.266 3.058 3.670 . 0 0 "[ . 1 .]" 1
299 1 13 ILE HA 1 45 PHE QE 5.000 . 5.000 3.281 3.099 3.513 . 0 0 "[ . 1 .]" 1
300 1 13 ILE HA 1 45 PHE HZ 6.000 . 6.000 3.761 3.425 3.942 . 0 0 "[ . 1 .]" 1
301 1 13 ILE HB 1 45 PHE QE 6.000 . 6.000 5.799 5.605 6.003 0.003 12 0 "[ . 1 .]" 1
302 1 13 ILE HG13 1 45 PHE QE 5.000 . 5.000 4.969 4.832 5.022 0.022 7 0 "[ . 1 .]" 1
303 1 13 ILE H 1 54 ILE H 5.000 . 5.000 4.737 4.623 4.833 . 0 0 "[ . 1 .]" 1
304 1 13 ILE HA 1 54 ILE H 3.500 . 3.500 3.008 2.664 3.390 . 0 0 "[ . 1 .]" 1
305 1 13 ILE HA 1 54 ILE HA 6.000 . 6.000 4.515 4.382 4.671 . 0 0 "[ . 1 .]" 1
306 1 13 ILE HA 1 54 ILE HB 5.000 . 5.000 2.542 2.378 2.693 . 0 0 "[ . 1 .]" 1
307 1 13 ILE HA 1 54 ILE MG 6.000 . 6.000 3.788 3.427 3.937 . 0 0 "[ . 1 .]" 1
308 1 13 ILE HA 1 54 ILE MD 6.000 . 6.000 5.087 4.905 5.323 . 0 0 "[ . 1 .]" 1
309 1 13 ILE HB 1 54 ILE MG 6.000 . 6.000 4.858 4.662 5.001 . 0 0 "[ . 1 .]" 1
310 1 13 ILE HG13 1 54 ILE MG 6.000 . 6.000 3.763 3.543 3.953 . 0 0 "[ . 1 .]" 1
311 1 13 ILE HG13 1 54 ILE MD 6.000 . 6.000 4.511 4.299 4.798 . 0 0 "[ . 1 .]" 1
312 1 13 ILE HG12 1 54 ILE MG 5.000 . 5.000 2.830 2.612 3.016 . 0 0 "[ . 1 .]" 1
313 1 13 ILE HG12 1 54 ILE MD 5.000 . 5.000 4.412 4.106 4.770 . 0 0 "[ . 1 .]" 1
314 1 13 ILE MG 1 54 ILE HB 5.000 . 5.000 2.553 2.107 3.208 . 0 0 "[ . 1 .]" 1
315 1 13 ILE MG 1 54 ILE MG 6.000 . 6.000 2.519 2.200 2.801 . 0 0 "[ . 1 .]" 1
316 1 13 ILE MG 1 54 ILE MD 6.000 . 6.000 4.751 4.474 5.073 . 0 0 "[ . 1 .]" 1
317 1 13 ILE MD 1 54 ILE HB 6.000 . 6.000 3.682 3.519 3.785 . 0 0 "[ . 1 .]" 1
318 1 13 ILE MD 1 54 ILE MG 6.000 . 6.000 4.012 3.811 4.178 . 0 0 "[ . 1 .]" 1
319 1 13 ILE MD 1 54 ILE MD 6.000 . 6.000 4.815 4.577 5.085 . 0 0 "[ . 1 .]" 1
320 1 13 ILE HA 1 55 VAL HA 6.000 . 6.000 3.695 3.338 3.993 . 0 0 "[ . 1 .]" 1
321 1 13 ILE MG 1 55 VAL HA 6.000 . 6.000 3.176 2.861 3.440 . 0 0 "[ . 1 .]" 1
322 1 13 ILE HA 1 56 VAL H 6.000 . 6.000 5.171 4.916 5.457 . 0 0 "[ . 1 .]" 1
323 1 13 ILE MG 1 56 VAL H 6.000 . 6.000 3.467 3.102 3.798 . 0 0 "[ . 1 .]" 1
324 1 13 ILE MG 1 56 VAL HA 6.000 . 6.000 4.264 4.006 4.454 . 0 0 "[ . 1 .]" 1
325 1 13 ILE MG 1 56 VAL HB 5.000 . 5.000 3.599 3.193 4.481 . 0 0 "[ . 1 .]" 1
326 1 13 ILE MG 1 56 VAL MG1 6.000 . 6.000 3.664 2.848 3.949 . 0 0 "[ . 1 .]" 1
327 1 13 ILE MD 1 56 VAL MG1 6.000 . 6.000 5.848 5.001 6.027 0.027 15 0 "[ . 1 .]" 1
328 1 13 ILE HG12 1 84 TRP HH2 5.000 . 5.000 3.030 2.694 3.217 . 0 0 "[ . 1 .]" 1
329 1 13 ILE HG12 1 84 TRP HZ3 3.500 . 3.500 2.356 1.987 2.760 . 0 0 "[ . 1 .]" 1
330 1 13 ILE MG 1 84 TRP HZ3 5.000 . 5.000 2.624 2.128 2.814 . 0 0 "[ . 1 .]" 1
331 1 13 ILE MD 1 84 TRP HH2 5.000 . 5.000 2.416 2.141 2.586 . 0 0 "[ . 1 .]" 1
332 1 13 ILE MD 1 84 TRP HZ3 5.000 . 5.000 1.930 1.877 2.076 . 0 0 "[ . 1 .]" 1
333 1 14 CYS HA 1 15 CYS H 2.500 . 2.500 2.199 2.147 2.242 . 0 0 "[ . 1 .]" 1
334 1 14 CYS HB2 1 15 CYS H 5.000 . 5.000 3.013 2.814 3.255 . 0 0 "[ . 1 .]" 1
335 1 14 CYS H 1 39 VAL HB 6.000 . 6.000 4.099 3.890 4.334 . 0 0 "[ . 1 .]" 1
336 1 14 CYS H 1 39 VAL MG1 5.000 . 5.000 5.038 5.008 5.050 0.050 10 0 "[ . 1 .]" 1
337 1 14 CYS H 1 39 VAL MG2 6.000 . 6.000 3.393 2.887 4.333 . 0 0 "[ . 1 .]" 1
338 1 14 CYS HA 1 39 VAL H 3.500 . 3.500 2.977 2.696 3.407 . 0 0 "[ . 1 .]" 1
339 1 14 CYS HA 1 39 VAL HB 5.000 . 5.000 3.349 3.272 3.493 . 0 0 "[ . 1 .]" 1
340 1 14 CYS HA 1 39 VAL MG1 6.000 . 6.000 4.793 4.605 4.883 . 0 0 "[ . 1 .]" 1
341 1 14 CYS HA 1 39 VAL MG2 6.000 . 6.000 3.495 2.967 4.457 . 0 0 "[ . 1 .]" 1
342 1 14 CYS HB3 1 39 VAL H 3.500 . 3.500 3.532 3.514 3.541 0.041 7 0 "[ . 1 .]" 1
343 1 14 CYS HB3 1 39 VAL HB 5.000 . 5.000 1.716 1.629 1.829 . 0 0 "[ . 1 .]" 1
344 1 14 CYS HB3 1 39 VAL MG1 6.000 . 6.000 3.112 2.801 3.322 . 0 0 "[ . 1 .]" 1
345 1 14 CYS HB3 1 39 VAL MG2 6.000 . 6.000 2.822 2.259 3.516 . 0 0 "[ . 1 .]" 1
346 1 14 CYS HB2 1 39 VAL H 5.000 . 5.000 4.471 4.230 4.768 . 0 0 "[ . 1 .]" 1
347 1 14 CYS HB2 1 39 VAL HB 5.000 . 5.000 3.141 2.753 3.551 . 0 0 "[ . 1 .]" 1
348 1 14 CYS HB2 1 39 VAL MG1 5.000 . 5.000 4.215 3.865 4.565 . 0 0 "[ . 1 .]" 1
349 1 14 CYS HB2 1 39 VAL MG2 5.000 . 5.000 4.240 3.657 4.929 . 0 0 "[ . 1 .]" 1
350 1 14 CYS HB3 1 42 LEU MD2 5.000 . 5.000 4.076 3.810 4.453 . 0 0 "[ . 1 .]" 1
351 1 14 CYS HB2 1 42 LEU MD2 5.000 . 5.000 3.721 3.442 4.107 . 0 0 "[ . 1 .]" 1
352 1 14 CYS H 1 45 PHE QE 5.000 . 5.000 3.579 3.273 3.933 . 0 0 "[ . 1 .]" 1
353 1 14 CYS H 1 45 PHE HZ 5.000 . 5.000 2.988 2.572 3.322 . 0 0 "[ . 1 .]" 1
354 1 14 CYS HA 1 45 PHE QE 6.000 . 6.000 5.108 4.857 5.403 . 0 0 "[ . 1 .]" 1
355 1 14 CYS HA 1 45 PHE HZ 6.000 . 6.000 5.086 4.621 5.417 . 0 0 "[ . 1 .]" 1
356 1 14 CYS HB3 1 45 PHE QE 5.000 . 5.000 3.637 3.460 3.923 . 0 0 "[ . 1 .]" 1
357 1 14 CYS HB3 1 45 PHE HZ 5.000 . 5.000 3.413 2.903 3.967 . 0 0 "[ . 1 .]" 1
358 1 14 CYS HB2 1 45 PHE QE 5.000 . 5.000 4.919 4.595 5.019 0.019 5 0 "[ . 1 .]" 1
359 1 14 CYS HB2 1 45 PHE HZ 5.000 . 5.000 4.539 4.223 4.826 . 0 0 "[ . 1 .]" 1
360 1 14 CYS H 1 54 ILE H 5.000 . 5.000 4.258 3.814 4.686 . 0 0 "[ . 1 .]" 1
361 1 14 CYS H 1 54 ILE HB 6.000 . 6.000 4.189 3.939 4.484 . 0 0 "[ . 1 .]" 1
362 1 14 CYS H 1 54 ILE MG 6.000 . 6.000 4.563 4.144 4.729 . 0 0 "[ . 1 .]" 1
363 1 14 CYS H 1 55 VAL H 5.000 . 5.000 4.677 4.571 4.771 . 0 0 "[ . 1 .]" 1
364 1 14 CYS H 1 55 VAL HA 3.500 . 3.500 2.435 2.278 2.616 . 0 0 "[ . 1 .]" 1
365 1 14 CYS H 1 55 VAL MG1 6.000 . 6.000 3.862 3.405 4.208 . 0 0 "[ . 1 .]" 1
366 1 14 CYS HA 1 55 VAL HA 5.000 . 5.000 4.878 4.678 5.013 0.013 11 0 "[ . 1 .]" 1
367 1 14 CYS HB3 1 55 VAL HA 5.000 . 5.000 4.633 4.399 4.793 . 0 0 "[ . 1 .]" 1
368 1 14 CYS HB3 1 55 VAL MG1 5.000 . 5.000 4.679 4.323 4.998 . 0 0 "[ . 1 .]" 1
369 1 14 CYS HB3 1 55 VAL MG2 5.000 . 5.000 4.507 4.125 4.787 . 0 0 "[ . 1 .]" 1
370 1 14 CYS HB2 1 55 VAL HA 5.000 . 5.000 4.882 4.733 5.012 0.012 13 0 "[ . 1 .]" 1
371 1 14 CYS HB2 1 55 VAL MG1 5.000 . 5.000 4.281 3.978 4.558 . 0 0 "[ . 1 .]" 1
372 1 14 CYS HB2 1 55 VAL MG2 5.000 . 5.000 4.859 4.685 5.011 0.011 5 0 "[ . 1 .]" 1
373 1 14 CYS H 1 56 VAL H 5.000 . 5.000 3.650 3.351 3.929 . 0 0 "[ . 1 .]" 1
374 1 14 CYS HA 1 56 VAL H 5.000 . 5.000 5.023 4.970 5.039 0.039 12 0 "[ . 1 .]" 1
375 1 15 CYS H 1 16 TYR HA 5.000 . 5.000 4.970 4.902 5.018 0.018 7 0 "[ . 1 .]" 1
376 1 15 CYS HA 1 16 TYR H 2.500 . 2.500 2.159 2.140 2.193 . 0 0 "[ . 1 .]" 1
377 1 15 CYS HA 1 16 TYR HB2 6.000 . 6.000 4.352 4.187 4.533 . 0 0 "[ . 1 .]" 1
378 1 15 CYS HB3 1 16 TYR H 6.000 . 6.000 4.178 3.591 4.463 . 0 0 "[ . 1 .]" 1
379 1 15 CYS HB2 1 16 TYR H 6.000 . 6.000 3.841 3.287 4.339 . 0 0 "[ . 1 .]" 1
380 1 15 CYS HA 1 19 PHE QE 5.000 . 5.000 3.437 2.937 4.235 . 0 0 "[ . 1 .]" 1
381 1 15 CYS HA 1 19 PHE HZ 5.000 . 5.000 3.024 2.610 3.608 . 0 0 "[ . 1 .]" 1
382 1 15 CYS HB3 1 19 PHE QE 5.000 . 5.000 3.309 1.972 4.174 . 0 0 "[ . 1 .]" 1
383 1 15 CYS HB3 1 19 PHE HZ 5.000 . 5.000 3.247 2.456 3.908 . 0 0 "[ . 1 .]" 1
384 1 15 CYS HB2 1 19 PHE QE 5.000 . 5.000 2.580 1.938 4.659 . 0 0 "[ . 1 .]" 1
385 1 15 CYS HB2 1 19 PHE HZ 5.000 . 5.000 3.290 2.111 5.003 0.003 14 0 "[ . 1 .]" 1
386 1 15 CYS H 1 24 THR MG 6.000 . 6.000 4.823 4.005 5.876 . 0 0 "[ . 1 .]" 1
387 1 15 CYS HA 1 24 THR MG 6.000 . 6.000 5.180 4.521 5.910 . 0 0 "[ . 1 .]" 1
388 1 15 CYS HB3 1 24 THR MG 5.000 . 5.000 4.055 3.007 5.007 0.007 1 0 "[ . 1 .]" 1
389 1 15 CYS HB2 1 24 THR MG 5.000 . 5.000 3.133 2.009 3.988 . 0 0 "[ . 1 .]" 1
390 1 15 CYS HB3 1 27 LEU HG 5.000 . 5.000 3.853 3.492 4.599 . 0 0 "[ . 1 .]" 1
391 1 15 CYS HB2 1 27 LEU HG 5.000 . 5.000 4.917 4.087 5.011 0.011 1 0 "[ . 1 .]" 1
392 1 15 CYS HB2 1 27 LEU MD1 6.000 . 6.000 5.250 4.167 5.837 . 0 0 "[ . 1 .]" 1
393 1 15 CYS HB2 1 27 LEU MD2 6.000 . 6.000 3.484 2.375 5.934 . 0 0 "[ . 1 .]" 1
394 1 15 CYS H 1 42 LEU MD2 6.000 . 6.000 5.862 5.595 6.003 0.003 5 0 "[ . 1 .]" 1
395 1 15 CYS HA 1 55 VAL MG1 5.000 . 5.000 4.095 3.401 4.406 . 0 0 "[ . 1 .]" 1
396 1 15 CYS HA 1 56 VAL H 3.500 . 3.500 3.121 2.605 3.501 0.001 10 0 "[ . 1 .]" 1
397 1 15 CYS HA 1 56 VAL HB 3.500 . 3.500 2.524 1.984 3.508 0.008 13 0 "[ . 1 .]" 1
398 1 15 CYS HA 1 56 VAL MG1 5.000 . 5.000 3.852 3.246 4.602 . 0 0 "[ . 1 .]" 1
399 1 15 CYS HA 1 56 VAL MG2 5.000 . 5.000 3.349 1.844 4.140 . 0 0 "[ . 1 .]" 1
400 1 16 TYR HA 1 17 GLY H 2.500 . 2.500 2.158 2.137 2.192 . 0 0 "[ . 1 .]" 1
401 1 16 TYR HB3 1 17 GLY H 5.000 . 5.000 4.045 3.540 4.290 . 0 0 "[ . 1 .]" 1
402 1 16 TYR HB2 1 17 GLY H 6.000 . 6.000 4.502 4.253 4.631 . 0 0 "[ . 1 .]" 1
403 1 16 TYR QD 1 17 GLY H 5.000 . 5.000 3.634 2.338 4.209 . 0 0 "[ . 1 .]" 1
404 1 16 TYR H 1 19 PHE QE 6.000 . 6.000 3.506 2.757 4.862 . 0 0 "[ . 1 .]" 1
405 1 16 TYR H 1 19 PHE HZ 5.000 . 5.000 3.793 3.425 4.712 . 0 0 "[ . 1 .]" 1
406 1 16 TYR HB2 1 42 LEU MD2 5.000 . 5.000 3.637 3.227 4.177 . 0 0 "[ . 1 .]" 1
407 1 16 TYR QD 1 42 LEU HG 5.000 . 5.000 3.786 3.035 4.687 . 0 0 "[ . 1 .]" 1
408 1 16 TYR QD 1 42 LEU MD1 5.000 . 5.000 3.602 2.721 4.289 . 0 0 "[ . 1 .]" 1
409 1 16 TYR QD 1 42 LEU MD2 5.000 . 5.000 3.040 2.393 4.134 . 0 0 "[ . 1 .]" 1
410 1 16 TYR QE 1 42 LEU HG 5.000 . 5.000 3.420 2.015 4.980 . 0 0 "[ . 1 .]" 1
411 1 16 TYR QE 1 42 LEU MD1 5.000 . 5.000 3.032 1.998 4.146 . 0 0 "[ . 1 .]" 1
412 1 16 TYR QE 1 42 LEU MD2 5.000 . 5.000 3.804 2.680 5.001 0.001 4 0 "[ . 1 .]" 1
413 1 16 TYR H 1 55 VAL MG1 5.000 . 5.000 3.482 3.058 3.688 . 0 0 "[ . 1 .]" 1
414 1 16 TYR H 1 55 VAL MG2 6.000 . 6.000 5.828 5.434 6.005 0.005 1 0 "[ . 1 .]" 1
415 1 16 TYR HA 1 55 VAL MG1 6.000 . 6.000 4.959 4.455 5.267 . 0 0 "[ . 1 .]" 1
416 1 16 TYR HB3 1 55 VAL MG1 5.000 . 5.000 3.912 3.427 4.436 . 0 0 "[ . 1 .]" 1
417 1 16 TYR HB2 1 55 VAL MG1 5.000 . 5.000 3.012 2.680 3.281 . 0 0 "[ . 1 .]" 1
418 1 16 TYR QD 1 55 VAL MG1 5.000 . 5.000 3.904 2.990 4.420 . 0 0 "[ . 1 .]" 1
419 1 16 TYR QD 1 55 VAL MG2 6.000 . 6.000 5.324 4.342 5.977 . 0 0 "[ . 1 .]" 1
420 1 16 TYR QE 1 55 VAL MG1 6.000 . 6.000 5.334 4.423 5.790 . 0 0 "[ . 1 .]" 1
421 1 16 TYR H 1 56 VAL H 3.500 . 3.500 3.470 3.250 3.527 0.027 7 0 "[ . 1 .]" 1
422 1 16 TYR H 1 56 VAL HB 5.000 . 5.000 3.814 3.392 4.428 . 0 0 "[ . 1 .]" 1
423 1 16 TYR H 1 56 VAL MG1 6.000 . 6.000 4.615 4.063 5.524 . 0 0 "[ . 1 .]" 1
424 1 16 TYR H 1 56 VAL MG2 6.000 . 6.000 4.663 3.290 5.238 . 0 0 "[ . 1 .]" 1
425 1 16 TYR H 1 57 VAL MG1 5.000 . 5.000 3.790 3.269 4.080 . 0 0 "[ . 1 .]" 1
426 1 16 TYR HB2 1 57 VAL MG1 6.000 . 6.000 3.699 3.211 4.333 . 0 0 "[ . 1 .]" 1
427 1 16 TYR QD 1 57 VAL MG1 5.000 . 5.000 3.803 2.692 4.403 . 0 0 "[ . 1 .]" 1
428 1 16 TYR QE 1 57 VAL MG1 6.000 . 6.000 5.458 4.506 6.001 0.001 9 0 "[ . 1 .]" 1
429 1 16 TYR QD 1 62 TRP HZ2 5.000 . 5.000 3.039 2.120 4.150 . 0 0 "[ . 1 .]" 1
430 1 16 TYR QE 1 62 TRP HH2 5.000 . 5.000 4.044 2.517 4.998 . 0 0 "[ . 1 .]" 1
431 1 16 TYR QE 1 62 TRP HZ2 5.000 . 5.000 3.050 1.998 4.864 . 0 0 "[ . 1 .]" 1
432 1 16 TYR HB2 1 71 ILE MD 6.000 . 6.000 5.031 4.135 5.740 . 0 0 "[ . 1 .]" 1
433 1 16 TYR QD 1 71 ILE MG 5.000 . 5.000 4.150 3.326 4.560 . 0 0 "[ . 1 .]" 1
434 1 16 TYR QD 1 71 ILE MD 5.000 . 5.000 3.677 2.721 4.524 . 0 0 "[ . 1 .]" 1
435 1 16 TYR QE 1 71 ILE MG 6.000 . 6.000 5.049 3.982 5.630 . 0 0 "[ . 1 .]" 1
436 1 16 TYR QE 1 71 ILE MD 5.000 . 5.000 4.178 2.404 5.004 0.004 6 0 "[ . 1 .]" 1
437 1 16 TYR QE 1 74 MET ME 6.000 . 6.000 2.789 2.387 3.465 . 0 0 "[ . 1 .]" 1
438 1 17 GLY H 1 18 PRO HD2 5.000 . 5.000 4.966 4.872 5.040 0.040 4 0 "[ . 1 .]" 1
439 1 17 GLY HA3 1 18 PRO HD3 3.500 . 3.500 3.253 3.161 3.366 . 0 0 "[ . 1 .]" 1
440 1 17 GLY HA3 1 18 PRO HD2 3.500 . 3.500 2.791 2.324 3.280 . 0 0 "[ . 1 .]" 1
441 1 17 GLY HA2 1 18 PRO HD2 3.500 . 3.500 2.774 2.647 2.858 . 0 0 "[ . 1 .]" 1
442 1 18 PRO HA 1 19 PHE H 3.500 . 3.500 3.214 2.239 3.453 . 0 0 "[ . 1 .]" 1
443 1 18 PRO HB3 1 19 PHE H 5.000 . 5.000 4.109 2.500 4.475 . 0 0 "[ . 1 .]" 1
444 1 18 PRO HB2 1 19 PHE H 5.000 . 5.000 3.577 1.964 3.999 . 0 0 "[ . 1 .]" 1
445 1 18 PRO HA 1 24 THR MG 5.000 . 5.000 3.159 2.601 3.666 . 0 0 "[ . 1 .]" 1
446 1 18 PRO HD2 1 24 THR MG 6.000 . 6.000 6.002 5.929 6.016 0.016 12 0 "[ . 1 .]" 1
447 1 18 PRO HA 1 61 ALA MB 5.000 . 5.000 4.782 4.245 4.975 . 0 0 "[ . 1 .]" 1
448 1 18 PRO HB3 1 61 ALA MB 5.000 . 5.000 4.069 3.316 4.470 . 0 0 "[ . 1 .]" 1
449 1 18 PRO HG2 1 61 ALA HA 6.000 . 6.000 4.831 4.143 5.994 . 0 0 "[ . 1 .]" 1
450 1 18 PRO HD2 1 61 ALA MB 5.000 . 5.000 3.901 3.241 4.908 . 0 0 "[ . 1 .]" 1
451 1 18 PRO HG3 1 62 TRP HA 5.000 . 5.000 4.342 3.570 5.012 0.012 12 0 "[ . 1 .]" 1
452 1 18 PRO HG2 1 62 TRP HA 5.000 . 5.000 3.845 2.598 4.531 . 0 0 "[ . 1 .]" 1
453 1 19 PHE H 1 20 THR MG 6.000 . 6.000 5.430 4.998 5.924 . 0 0 "[ . 1 .]" 1
454 1 19 PHE HA 1 20 THR H 3.500 . 3.500 3.537 3.532 3.546 0.046 8 0 "[ . 1 .]" 1
455 1 19 PHE HB3 1 20 THR H 5.000 . 5.000 2.682 2.494 3.328 . 0 0 "[ . 1 .]" 1
456 1 19 PHE HB2 1 20 THR H 5.000 . 5.000 2.072 1.963 2.358 . 0 0 "[ . 1 .]" 1
457 1 19 PHE QD 1 24 THR MG 6.000 . 6.000 3.759 2.185 4.578 . 0 0 "[ . 1 .]" 1
458 1 19 PHE QE 1 24 THR MG 6.000 . 6.000 3.834 2.467 4.732 . 0 0 "[ . 1 .]" 1
459 1 19 PHE HZ 1 24 THR MG 6.000 . 6.000 5.429 4.208 5.854 . 0 0 "[ . 1 .]" 1
460 1 19 PHE QD 1 27 LEU MD1 6.000 . 6.000 4.670 3.946 5.755 . 0 0 "[ . 1 .]" 1
461 1 19 PHE QD 1 27 LEU MD2 6.000 . 6.000 3.642 2.891 5.434 . 0 0 "[ . 1 .]" 1
462 1 19 PHE QE 1 27 LEU MD1 6.000 . 6.000 3.830 3.189 4.291 . 0 0 "[ . 1 .]" 1
463 1 19 PHE QE 1 27 LEU MD2 6.000 . 6.000 2.873 2.334 4.522 . 0 0 "[ . 1 .]" 1
464 1 19 PHE HZ 1 27 LEU MD1 6.000 . 6.000 4.537 3.761 5.223 . 0 0 "[ . 1 .]" 1
465 1 19 PHE HZ 1 27 LEU MD2 6.000 . 6.000 3.128 1.992 5.287 . 0 0 "[ . 1 .]" 1
466 1 19 PHE QE 1 56 VAL H 6.000 . 6.000 5.545 5.105 5.763 . 0 0 "[ . 1 .]" 1
467 1 19 PHE QE 1 56 VAL HB 5.000 . 5.000 3.667 2.720 4.210 . 0 0 "[ . 1 .]" 1
468 1 19 PHE QE 1 56 VAL MG1 6.000 . 6.000 2.367 1.836 3.617 . 0 0 "[ . 1 .]" 1
469 1 19 PHE HZ 1 56 VAL H 5.000 . 5.000 4.776 4.266 5.011 0.011 4 0 "[ . 1 .]" 1
470 1 19 PHE HZ 1 56 VAL HB 5.000 . 5.000 2.538 2.110 3.180 . 0 0 "[ . 1 .]" 1
471 1 19 PHE HZ 1 56 VAL MG1 5.000 . 5.000 2.334 1.888 4.000 . 0 0 "[ . 1 .]" 1
472 1 19 PHE HZ 1 56 VAL MG2 6.000 . 6.000 3.821 2.882 4.460 . 0 0 "[ . 1 .]" 1
473 1 19 PHE QE 1 57 VAL HA 5.000 . 5.000 3.637 1.992 4.144 . 0 0 "[ . 1 .]" 1
474 1 19 PHE HZ 1 57 VAL HA 5.000 . 5.000 3.542 2.638 4.055 . 0 0 "[ . 1 .]" 1
475 1 19 PHE HZ 1 57 VAL MG1 6.000 . 6.000 4.953 4.321 5.306 . 0 0 "[ . 1 .]" 1
476 1 19 PHE HZ 1 57 VAL MG2 6.000 . 6.000 5.152 4.324 5.900 . 0 0 "[ . 1 .]" 1
477 1 19 PHE HZ 1 58 GLN H 6.000 . 6.000 5.271 3.421 5.989 . 0 0 "[ . 1 .]" 1
478 1 19 PHE H 1 61 ALA MB 6.000 . 6.000 3.485 2.946 3.984 . 0 0 "[ . 1 .]" 1
479 1 19 PHE HA 1 61 ALA MB 5.000 . 5.000 3.737 3.266 4.275 . 0 0 "[ . 1 .]" 1
480 1 19 PHE H 1 62 TRP HA 6.000 . 6.000 5.602 4.694 6.012 0.012 8 0 "[ . 1 .]" 1
481 1 19 PHE QD 1 82 ARG HB3 5.000 . 5.000 2.967 1.982 5.011 0.011 4 0 "[ . 1 .]" 1
482 1 19 PHE QD 1 82 ARG HB2 5.000 . 5.000 4.100 3.343 5.004 0.004 4 0 "[ . 1 .]" 1
483 1 19 PHE QD 1 82 ARG HG3 3.500 . 3.500 3.405 2.702 3.543 0.043 13 0 "[ . 1 .]" 1
484 1 19 PHE QD 1 82 ARG HG2 5.000 . 5.000 2.050 1.808 3.140 . 0 0 "[ . 1 .]" 1
485 1 19 PHE QD 1 82 ARG HD3 5.000 . 5.000 3.503 1.996 5.019 0.019 14 0 "[ . 1 .]" 1
486 1 19 PHE QD 1 82 ARG HD2 5.000 . 5.000 4.028 2.688 5.001 0.001 14 0 "[ . 1 .]" 1
487 1 19 PHE QE 1 82 ARG HB3 5.000 . 5.000 2.172 1.868 4.472 . 0 0 "[ . 1 .]" 1
488 1 19 PHE QE 1 82 ARG HB2 5.000 . 5.000 3.784 3.553 5.003 0.003 4 0 "[ . 1 .]" 1
489 1 19 PHE QE 1 82 ARG HG3 6.000 . 6.000 3.552 2.671 4.173 . 0 0 "[ . 1 .]" 1
490 1 19 PHE QE 1 82 ARG HG2 6.000 . 6.000 2.788 2.051 3.428 . 0 0 "[ . 1 .]" 1
491 1 19 PHE QE 1 82 ARG HD3 6.000 . 6.000 4.618 2.391 5.229 . 0 0 "[ . 1 .]" 1
492 1 19 PHE QE 1 82 ARG HD2 5.000 . 5.000 4.682 3.690 5.024 0.024 10 0 "[ . 1 .]" 1
493 1 20 THR H 1 58 GLN HE22 6.000 . 6.000 5.259 3.863 6.000 . 0 0 "[ . 1 .]" 1
494 1 20 THR MG 1 58 GLN HE21 6.000 . 6.000 3.324 1.982 4.984 . 0 0 "[ . 1 .]" 1
495 1 20 THR MG 1 58 GLN HE22 6.000 . 6.000 2.744 2.381 3.624 . 0 0 "[ . 1 .]" 1
496 1 20 THR H 1 61 ALA H 6.000 . 6.000 5.298 4.878 5.484 . 0 0 "[ . 1 .]" 1
497 1 20 THR H 1 61 ALA MB 6.000 . 6.000 3.559 3.063 3.982 . 0 0 "[ . 1 .]" 1
498 1 20 THR HA 1 61 ALA MB 6.000 . 6.000 2.168 1.911 2.805 . 0 0 "[ . 1 .]" 1
499 1 22 MET HA 1 23 PRO HD3 5.000 . 5.000 3.171 1.952 4.267 . 0 0 "[ . 1 .]" 1
500 1 22 MET HA 1 23 PRO HD2 5.000 . 5.000 3.049 2.419 4.221 . 0 0 "[ . 1 .]" 1
501 1 22 MET H 1 24 THR H 5.000 . 5.000 4.774 4.305 5.018 0.018 15 0 "[ . 1 .]" 1
502 1 24 THR HA 1 25 ASP H 5.000 . 5.000 3.514 3.309 3.567 . 0 0 "[ . 1 .]" 1
503 1 24 THR HB 1 25 ASP H 3.500 . 3.500 2.857 2.002 3.543 0.043 12 0 "[ . 1 .]" 1
504 1 24 THR HB 1 25 ASP HA 6.000 . 6.000 4.026 3.944 4.195 . 0 0 "[ . 1 .]" 1
505 1 24 THR MG 1 25 ASP H 5.000 . 5.000 4.098 3.605 4.386 . 0 0 "[ . 1 .]" 1
506 1 24 THR MG 1 25 ASP HA 5.000 . 5.000 4.800 4.389 5.014 0.014 14 0 "[ . 1 .]" 1
507 1 24 THR HA 1 27 LEU H 5.000 . 5.000 3.745 3.347 4.069 . 0 0 "[ . 1 .]" 1
508 1 24 THR HA 1 27 LEU HB3 5.000 . 5.000 3.466 3.033 4.263 . 0 0 "[ . 1 .]" 1
509 1 24 THR HA 1 27 LEU HB2 5.000 . 5.000 3.739 3.052 4.268 . 0 0 "[ . 1 .]" 1
510 1 24 THR MG 1 28 GLU H 6.000 . 6.000 5.137 4.232 5.726 . 0 0 "[ . 1 .]" 1
511 1 25 ASP H 1 26 GLN H 3.500 . 3.500 2.242 2.204 2.291 . 0 0 "[ . 1 .]" 1
512 1 25 ASP H 1 26 GLN HB3 5.000 . 5.000 5.038 5.026 5.056 0.056 12 0 "[ . 1 .]" 1
513 1 25 ASP H 1 26 GLN HB2 5.000 . 5.000 4.085 4.074 4.094 . 0 0 "[ . 1 .]" 1
514 1 25 ASP H 1 26 GLN HG3 6.000 . 6.000 6.027 6.019 6.038 0.038 12 0 "[ . 1 .]" 1
515 1 25 ASP HA 1 26 GLN H 5.000 . 5.000 3.449 3.410 3.470 . 0 0 "[ . 1 .]" 1
516 1 25 ASP HB3 1 26 GLN H 6.000 . 6.000 3.623 2.941 4.076 . 0 0 "[ . 1 .]" 1
517 1 25 ASP HA 1 28 GLU H 3.500 . 3.500 3.512 3.485 3.535 0.035 1 0 "[ . 1 .]" 1
518 1 26 GLN H 1 27 LEU H 3.500 . 3.500 2.424 2.357 2.562 . 0 0 "[ . 1 .]" 1
519 1 26 GLN HA 1 27 LEU H 3.500 . 3.500 3.487 3.451 3.513 0.013 12 0 "[ . 1 .]" 1
520 1 26 GLN HB3 1 27 LEU H 5.000 . 5.000 2.959 2.792 3.133 . 0 0 "[ . 1 .]" 1
521 1 26 GLN HB2 1 27 LEU H 5.000 . 5.000 3.563 3.517 3.610 . 0 0 "[ . 1 .]" 1
522 1 26 GLN HA 1 29 TRP H 3.500 . 3.500 3.523 3.500 3.539 0.039 13 0 "[ . 1 .]" 1
523 1 26 GLN HA 1 29 TRP QB 3.500 . 3.500 2.424 2.255 2.597 . 0 0 "[ . 1 .]" 1
524 1 27 LEU H 1 28 GLU H 3.500 . 3.500 2.595 2.505 2.708 . 0 0 "[ . 1 .]" 1
525 1 27 LEU HB3 1 28 GLU H 3.500 . 3.500 2.462 2.311 2.698 . 0 0 "[ . 1 .]" 1
526 1 27 LEU HB2 1 28 GLU H 5.000 . 5.000 3.621 2.996 3.806 . 0 0 "[ . 1 .]" 1
527 1 27 LEU HA 1 30 MET H 3.500 . 3.500 3.520 3.509 3.532 0.032 8 0 "[ . 1 .]" 1
528 1 27 LEU HA 1 30 MET HB3 5.000 . 5.000 4.583 3.863 4.821 . 0 0 "[ . 1 .]" 1
529 1 27 LEU HA 1 30 MET HB2 3.500 . 3.500 3.093 2.693 3.510 0.010 12 0 "[ . 1 .]" 1
530 1 27 LEU HA 1 30 MET HG3 6.000 . 6.000 3.314 2.257 4.736 . 0 0 "[ . 1 .]" 1
531 1 27 LEU HA 1 30 MET HG2 6.000 . 6.000 4.724 3.909 5.575 . 0 0 "[ . 1 .]" 1
532 1 27 LEU HA 1 30 MET ME 3.500 . 3.500 2.779 1.944 3.487 . 0 0 "[ . 1 .]" 1
533 1 27 LEU HB3 1 30 MET ME 6.000 . 6.000 5.180 4.421 5.811 . 0 0 "[ . 1 .]" 1
534 1 27 LEU HB2 1 30 MET ME 6.000 . 6.000 4.321 3.452 4.834 . 0 0 "[ . 1 .]" 1
535 1 27 LEU MD1 1 30 MET H 6.000 . 6.000 4.648 4.080 5.117 . 0 0 "[ . 1 .]" 1
536 1 27 LEU MD1 1 30 MET ME 6.000 . 6.000 2.906 1.860 3.831 . 0 0 "[ . 1 .]" 1
537 1 27 LEU MD2 1 30 MET ME 6.000 . 6.000 4.276 2.168 5.579 . 0 0 "[ . 1 .]" 1
538 1 27 LEU MD1 1 31 VAL H 5.000 . 5.000 4.239 3.407 4.806 . 0 0 "[ . 1 .]" 1
539 1 27 LEU MD1 1 56 VAL MG1 5.000 . 5.000 3.231 2.427 4.042 . 0 0 "[ . 1 .]" 1
540 1 27 LEU MD2 1 56 VAL HB 5.000 . 5.000 3.554 2.478 5.014 0.014 14 0 "[ . 1 .]" 1
541 1 27 LEU MD2 1 56 VAL MG1 6.000 . 6.000 2.762 1.834 4.396 . 0 0 "[ . 1 .]" 1
542 1 27 LEU MD1 1 82 ARG HA 5.000 . 5.000 3.095 2.428 4.176 . 0 0 "[ . 1 .]" 1
543 1 27 LEU MD1 1 82 ARG HB3 . . 5.000 2.896 2.053 4.534 . 0 0 "[ . 1 .]" 1
544 1 27 LEU MD1 1 82 ARG HD3 6.000 . 6.000 4.949 3.930 5.991 . 0 0 "[ . 1 .]" 1
545 1 27 LEU MD1 1 82 ARG HD2 6.000 . 6.000 4.455 3.713 6.010 0.010 14 0 "[ . 1 .]" 1
546 1 27 LEU MD2 1 82 ARG HB3 6.000 . 6.000 2.517 1.844 3.054 . 0 0 "[ . 1 .]" 1
547 1 27 LEU MD2 1 82 ARG HB2 6.000 . 6.000 3.438 2.134 4.154 . 0 0 "[ . 1 .]" 1
548 1 27 LEU MD2 1 82 ARG HD3 6.000 . 6.000 4.963 3.625 5.988 . 0 0 "[ . 1 .]" 1
549 1 27 LEU MD2 1 82 ARG HD2 6.000 . 6.000 4.627 2.800 5.921 . 0 0 "[ . 1 .]" 1
550 1 27 LEU MD1 1 85 VAL HB 5.000 . 5.000 2.225 1.882 3.480 . 0 0 "[ . 1 .]" 1
551 1 27 LEU MD2 1 85 VAL H 6.000 . 6.000 5.237 3.736 5.900 . 0 0 "[ . 1 .]" 1
552 1 27 LEU MD2 1 85 VAL HB 6.000 . 6.000 3.748 1.950 4.329 . 0 0 "[ . 1 .]" 1
553 1 28 GLU H 1 29 TRP H 3.500 . 3.500 2.599 2.541 2.651 . 0 0 "[ . 1 .]" 1
554 1 28 GLU HA 1 29 TRP H 3.500 . 3.500 3.471 3.464 3.479 . 0 0 "[ . 1 .]" 1
555 1 28 GLU HB2 1 29 TRP H 5.000 . 5.000 3.728 2.960 3.979 . 0 0 "[ . 1 .]" 1
556 1 28 GLU HG2 1 29 TRP H 5.000 . 5.000 4.004 3.643 4.959 . 0 0 "[ . 1 .]" 1
557 1 28 GLU HA 1 31 VAL H 3.500 . 3.500 3.525 3.494 3.541 0.041 8 0 "[ . 1 .]" 1
558 1 28 GLU HA 1 31 VAL MG1 5.000 . 5.000 3.149 3.020 3.231 . 0 0 "[ . 1 .]" 1
559 1 28 GLU HA 1 31 VAL MG2 5.000 . 5.000 1.846 1.789 1.926 . 0 0 "[ . 1 .]" 1
560 1 28 GLU HB3 1 31 VAL MG1 5.000 . 5.000 5.046 5.029 5.074 0.074 13 0 "[ . 1 .]" 1
561 1 28 GLU HB3 1 38 VAL MG1 5.000 . 5.000 3.991 1.958 4.698 . 0 0 "[ . 1 .]" 1
562 1 28 GLU HB3 1 38 VAL MG2 5.000 . 5.000 2.450 1.906 4.529 . 0 0 "[ . 1 .]" 1
563 1 28 GLU HG3 1 38 VAL MG1 5.000 . 5.000 4.835 3.533 5.020 0.020 3 0 "[ . 1 .]" 1
564 1 28 GLU HG3 1 38 VAL MG2 5.000 . 5.000 3.973 3.609 5.049 0.049 13 0 "[ . 1 .]" 1
565 1 28 GLU HG2 1 38 VAL MG1 5.000 . 5.000 4.590 3.907 5.007 0.007 1 0 "[ . 1 .]" 1
566 1 28 GLU HG2 1 38 VAL MG2 5.000 . 5.000 3.277 2.526 5.011 0.011 15 0 "[ . 1 .]" 1
567 1 29 TRP HA 1 30 MET H 3.500 . 3.500 3.532 3.526 3.540 0.040 14 0 "[ . 1 .]" 1
568 1 29 TRP QB 1 30 MET H 3.500 . 3.500 2.506 2.424 2.542 . 0 0 "[ . 1 .]" 1
569 1 29 TRP HD1 1 30 MET H 5.000 . 5.000 5.054 5.047 5.074 0.074 6 0 "[ . 1 .]" 1
570 1 29 TRP HE3 1 30 MET HA 5.000 . 5.000 4.019 3.921 4.122 . 0 0 "[ . 1 .]" 1
571 1 29 TRP HE3 1 30 MET HB3 5.000 . 5.000 5.018 5.009 5.026 0.026 6 0 "[ . 1 .]" 1
572 1 29 TRP HE3 1 30 MET HB2 5.000 . 5.000 4.445 3.497 4.936 . 0 0 "[ . 1 .]" 1
573 1 29 TRP H 1 31 VAL MG1 6.000 . 6.000 5.244 5.110 5.464 . 0 0 "[ . 1 .]" 1
574 1 29 TRP HA 1 32 GLN H 3.500 . 3.500 3.517 3.489 3.550 0.050 13 0 "[ . 1 .]" 1
575 1 29 TRP HA 1 32 GLN HB3 3.500 . 3.500 3.448 2.955 3.540 0.040 9 0 "[ . 1 .]" 1
576 1 29 TRP HA 1 32 GLN HB2 3.500 . 3.500 2.479 2.277 3.077 . 0 0 "[ . 1 .]" 1
577 1 29 TRP HA 1 32 GLN HG2 5.000 . 5.000 5.004 4.906 5.020 0.020 8 0 "[ . 1 .]" 1
578 1 29 TRP HA 1 33 LEU MD1 6.000 . 6.000 6.002 5.949 6.037 0.037 9 0 "[ . 1 .]" 1
579 1 29 TRP HA 1 33 LEU MD2 6.000 . 6.000 5.671 3.550 6.011 0.011 10 0 "[ . 1 .]" 1
580 1 29 TRP HD1 1 33 LEU MD1 6.000 . 6.000 4.552 4.314 4.832 . 0 0 "[ . 1 .]" 1
581 1 29 TRP HD1 1 33 LEU MD2 6.000 . 6.000 4.446 2.413 4.827 . 0 0 "[ . 1 .]" 1
582 1 29 TRP HE1 1 33 LEU MD1 5.000 . 5.000 3.490 3.099 3.860 . 0 0 "[ . 1 .]" 1
583 1 29 TRP HE1 1 33 LEU MD2 5.000 . 5.000 3.038 1.871 3.458 . 0 0 "[ . 1 .]" 1
584 1 29 TRP HE3 1 33 LEU MD2 6.000 . 6.000 5.200 4.547 5.386 . 0 0 "[ . 1 .]" 1
585 1 29 TRP HZ2 1 33 LEU MD1 5.000 . 5.000 4.363 3.847 4.673 . 0 0 "[ . 1 .]" 1
586 1 29 TRP HZ2 1 33 LEU MD2 6.000 . 6.000 2.933 2.611 3.645 . 0 0 "[ . 1 .]" 1
587 1 30 MET HA 1 31 VAL H 5.000 . 5.000 3.577 3.573 3.588 . 0 0 "[ . 1 .]" 1
588 1 30 MET HB3 1 31 VAL H 3.500 . 3.500 3.390 2.823 3.523 0.023 13 0 "[ . 1 .]" 1
589 1 30 MET HB2 1 31 VAL H 3.500 . 3.500 2.501 2.255 3.050 . 0 0 "[ . 1 .]" 1
590 1 30 MET HA 1 33 LEU H 3.500 . 3.500 3.437 3.329 3.508 0.008 10 0 "[ . 1 .]" 1
591 1 30 MET HA 1 33 LEU HB3 3.500 . 3.500 2.911 2.725 3.557 0.057 6 0 "[ . 1 .]" 1
592 1 30 MET HA 1 33 LEU HB2 3.500 . 3.500 3.088 2.261 3.399 . 0 0 "[ . 1 .]" 1
593 1 30 MET HA 1 33 LEU HG 5.000 . 5.000 4.847 3.753 5.017 0.017 5 0 "[ . 1 .]" 1
594 1 30 MET HA 1 33 LEU MD1 5.000 . 5.000 4.973 4.835 5.006 0.006 13 0 "[ . 1 .]" 1
595 1 30 MET HA 1 33 LEU MD2 5.000 . 5.000 3.233 3.076 3.348 . 0 0 "[ . 1 .]" 1
596 1 30 MET HB2 1 33 LEU H 6.000 . 6.000 5.343 5.201 5.541 . 0 0 "[ . 1 .]" 1
597 1 30 MET HA 1 34 CYS H 5.000 . 5.000 4.739 4.642 4.798 . 0 0 "[ . 1 .]" 1
598 1 30 MET HB3 1 85 VAL MG1 5.000 . 5.000 2.825 2.181 3.405 . 0 0 "[ . 1 .]" 1
599 1 30 MET HB2 1 85 VAL MG1 5.000 . 5.000 2.497 2.070 3.254 . 0 0 "[ . 1 .]" 1
600 1 30 MET HG3 1 85 VAL MG1 6.000 . 6.000 4.068 3.348 4.707 . 0 0 "[ . 1 .]" 1
601 1 30 MET HG2 1 85 VAL MG1 5.000 . 5.000 4.449 4.082 4.987 . 0 0 "[ . 1 .]" 1
602 1 30 MET ME 1 85 VAL MG1 5.000 . 5.000 2.966 1.818 4.664 . 0 0 "[ . 1 .]" 1
603 1 30 MET ME 1 86 LEU HA 6.000 . 6.000 3.517 2.213 5.118 . 0 0 "[ . 1 .]" 1
604 1 30 MET ME 1 86 LEU MD2 5.000 . 5.000 3.779 1.812 4.513 . 0 0 "[ . 1 .]" 1
605 1 30 MET HB3 1 89 VAL MG2 5.000 . 5.000 1.889 1.830 2.086 . 0 0 "[ . 1 .]" 1
606 1 30 MET HB2 1 89 VAL MG2 3.500 . 3.500 2.933 2.573 3.493 . 0 0 "[ . 1 .]" 1
607 1 30 MET HG3 1 89 VAL MG2 6.000 . 6.000 4.245 3.907 4.402 . 0 0 "[ . 1 .]" 1
608 1 30 MET HG2 1 89 VAL MG2 6.000 . 6.000 3.718 2.738 4.207 . 0 0 "[ . 1 .]" 1
609 1 30 MET ME 1 89 VAL MG1 5.000 . 5.000 3.971 2.776 4.823 . 0 0 "[ . 1 .]" 1
610 1 30 MET ME 1 89 VAL MG2 5.000 . 5.000 3.676 2.032 4.747 . 0 0 "[ . 1 .]" 1
611 1 31 VAL HB 1 32 GLN H 3.500 . 3.500 3.555 3.545 3.582 0.082 13 0 "[ . 1 .]" 1
612 1 31 VAL HA 1 34 CYS H 5.000 . 5.000 3.295 3.223 3.386 . 0 0 "[ . 1 .]" 1
613 1 31 VAL HA 1 34 CYS HB3 5.000 . 5.000 4.183 3.990 4.613 . 0 0 "[ . 1 .]" 1
614 1 31 VAL HA 1 34 CYS HB2 5.000 . 5.000 2.590 2.483 3.064 . 0 0 "[ . 1 .]" 1
615 1 31 VAL HA 1 36 ALA MB 5.000 . 5.000 3.304 3.177 3.423 . 0 0 "[ . 1 .]" 1
616 1 31 VAL HB 1 36 ALA H 6.000 . 6.000 4.190 4.062 4.474 . 0 0 "[ . 1 .]" 1
617 1 31 VAL HB 1 36 ALA HA 5.000 . 5.000 4.957 4.837 5.015 0.015 15 0 "[ . 1 .]" 1
618 1 31 VAL HB 1 36 ALA MB 3.500 . 3.500 2.006 1.914 2.094 . 0 0 "[ . 1 .]" 1
619 1 31 VAL MG1 1 36 ALA H 6.000 . 6.000 5.337 5.221 5.640 . 0 0 "[ . 1 .]" 1
620 1 31 VAL MG1 1 36 ALA MB 5.000 . 5.000 3.351 3.260 3.400 . 0 0 "[ . 1 .]" 1
621 1 31 VAL MG2 1 36 ALA H 6.000 . 6.000 4.604 4.300 4.955 . 0 0 "[ . 1 .]" 1
622 1 31 VAL MG1 1 38 VAL HB 6.000 . 6.000 5.981 5.834 6.019 0.019 5 0 "[ . 1 .]" 1
623 1 31 VAL MG2 1 84 TRP HH2 6.000 . 6.000 6.024 6.014 6.034 0.034 5 0 "[ . 1 .]" 1
624 1 31 VAL MG2 1 84 TRP HZ3 5.000 . 5.000 4.886 4.766 4.983 . 0 0 "[ . 1 .]" 1
625 1 31 VAL H 1 85 VAL MG1 6.000 . 6.000 2.985 2.747 3.240 . 0 0 "[ . 1 .]" 1
626 1 31 VAL H 1 85 VAL MG2 6.000 . 6.000 4.626 4.320 4.980 . 0 0 "[ . 1 .]" 1
627 1 32 GLN H 1 33 LEU H 3.500 . 3.500 2.640 2.605 2.659 . 0 0 "[ . 1 .]" 1
628 1 32 GLN HB3 1 33 LEU H 3.500 . 3.500 3.139 2.780 3.262 . 0 0 "[ . 1 .]" 1
629 1 32 GLN HB2 1 33 LEU H 5.000 . 5.000 3.155 2.993 3.689 . 0 0 "[ . 1 .]" 1
630 1 32 GLN H 1 34 CYS H 5.000 . 5.000 3.959 3.916 4.017 . 0 0 "[ . 1 .]" 1
631 1 32 GLN HA 1 35 GLY H 3.500 . 3.500 3.489 3.447 3.516 0.016 10 0 "[ . 1 .]" 1
632 1 32 GLN HA 1 36 ALA H 5.000 . 5.000 3.322 2.326 3.952 . 0 0 "[ . 1 .]" 1
633 1 32 GLN HA 1 36 ALA MB 5.000 . 5.000 3.317 2.937 3.663 . 0 0 "[ . 1 .]" 1
634 1 32 GLN HG3 1 38 VAL HB 6.000 . 6.000 3.718 2.766 6.004 0.004 13 0 "[ . 1 .]" 1
635 1 32 GLN HG3 1 38 VAL MG1 5.000 . 5.000 3.344 2.289 3.878 . 0 0 "[ . 1 .]" 1
636 1 32 GLN HG3 1 38 VAL MG2 5.000 . 5.000 4.622 3.913 5.010 0.010 4 0 "[ . 1 .]" 1
637 1 32 GLN HG2 1 38 VAL MG1 5.000 . 5.000 3.963 2.079 4.519 . 0 0 "[ . 1 .]" 1
638 1 32 GLN HE21 1 38 VAL MG1 6.000 . 6.000 2.772 2.065 3.371 . 0 0 "[ . 1 .]" 1
639 1 32 GLN HE21 1 38 VAL MG2 6.000 . 6.000 4.553 3.443 5.458 . 0 0 "[ . 1 .]" 1
640 1 32 GLN HE22 1 38 VAL MG1 6.000 . 6.000 3.080 2.099 4.744 . 0 0 "[ . 1 .]" 1
641 1 32 GLN HE22 1 38 VAL MG2 6.000 . 6.000 4.848 2.809 6.004 0.004 9 0 "[ . 1 .]" 1
642 1 33 LEU H 1 34 CYS H 3.500 . 3.500 2.520 2.509 2.550 . 0 0 "[ . 1 .]" 1
643 1 33 LEU HA 1 34 CYS H 5.000 . 5.000 3.436 3.431 3.447 . 0 0 "[ . 1 .]" 1
644 1 33 LEU HB3 1 34 CYS H 5.000 . 5.000 3.121 3.049 3.483 . 0 0 "[ . 1 .]" 1
645 1 33 LEU HB2 1 34 CYS H 5.000 . 5.000 3.961 3.370 4.121 . 0 0 "[ . 1 .]" 1
646 1 33 LEU MD1 1 34 CYS H 5.000 . 5.000 4.595 4.529 4.650 . 0 0 "[ . 1 .]" 1
647 1 33 LEU MD2 1 34 CYS H 5.000 . 5.000 4.843 4.539 4.956 . 0 0 "[ . 1 .]" 1
648 1 34 CYS H 1 35 GLY H 3.500 . 3.500 2.399 2.387 2.418 . 0 0 "[ . 1 .]" 1
649 1 34 CYS HA 1 35 GLY H 3.500 . 3.500 3.315 3.310 3.320 . 0 0 "[ . 1 .]" 1
650 1 34 CYS H 1 36 ALA H 5.000 . 5.000 3.497 3.316 3.798 . 0 0 "[ . 1 .]" 1
651 1 35 GLY H 1 36 ALA H 5.000 . 5.000 2.406 2.050 2.746 . 0 0 "[ . 1 .]" 1
652 1 35 GLY H 1 36 ALA MB 6.000 . 6.000 4.056 3.762 4.164 . 0 0 "[ . 1 .]" 1
653 1 35 GLY HA3 1 36 ALA H 3.500 . 3.500 3.138 2.886 3.494 . 0 0 "[ . 1 .]" 1
654 1 35 GLY HA2 1 36 ALA H 5.000 . 5.000 3.354 2.926 3.512 . 0 0 "[ . 1 .]" 1
655 1 36 ALA HA 1 37 SER H 2.500 . 2.500 2.515 2.330 2.559 0.059 11 0 "[ . 1 .]" 1
656 1 36 ALA MB 1 37 SER H 5.000 . 5.000 2.107 1.968 2.522 . 0 0 "[ . 1 .]" 1
657 1 36 ALA MB 1 84 TRP HZ3 6.000 . 6.000 4.317 4.257 4.406 . 0 0 "[ . 1 .]" 1
658 1 37 SER HA 1 38 VAL H 2.500 . 2.500 2.193 2.157 2.293 . 0 0 "[ . 1 .]" 1
659 1 37 SER HB3 1 38 VAL H 5.000 . 5.000 3.504 3.157 3.690 . 0 0 "[ . 1 .]" 1
660 1 37 SER HB2 1 38 VAL H 6.000 . 6.000 4.393 4.217 4.464 . 0 0 "[ . 1 .]" 1
661 1 38 VAL H 1 39 VAL H 5.000 . 5.000 4.473 4.427 4.528 . 0 0 "[ . 1 .]" 1
662 1 38 VAL HA 1 39 VAL H 3.500 . 3.500 2.143 2.137 2.151 . 0 0 "[ . 1 .]" 1
663 1 38 VAL HA 1 39 VAL MG1 6.000 . 6.000 5.390 5.317 5.462 . 0 0 "[ . 1 .]" 1
664 1 38 VAL HA 1 39 VAL MG2 6.000 . 6.000 3.426 3.321 3.690 . 0 0 "[ . 1 .]" 1
665 1 38 VAL HB 1 39 VAL H 5.000 . 5.000 4.145 3.339 4.368 . 0 0 "[ . 1 .]" 1
666 1 38 VAL MG1 1 39 VAL H 6.000 . 6.000 4.075 3.991 4.225 . 0 0 "[ . 1 .]" 1
667 1 38 VAL MG2 1 39 VAL H 6.000 . 6.000 3.015 2.605 4.018 . 0 0 "[ . 1 .]" 1
668 1 39 VAL H 1 40 LYS H 5.000 . 5.000 4.449 4.361 4.571 . 0 0 "[ . 1 .]" 1
669 1 39 VAL HA 1 40 LYS H 3.500 . 3.500 2.157 2.134 2.257 . 0 0 "[ . 1 .]" 1
670 1 39 VAL HB 1 40 LYS H 5.000 . 5.000 3.978 3.602 4.240 . 0 0 "[ . 1 .]" 1
671 1 39 VAL MG1 1 40 LYS H 5.000 . 5.000 2.572 1.998 2.899 . 0 0 "[ . 1 .]" 1
672 1 39 VAL MG1 1 40 LYS HD2 6.000 . 6.000 5.253 3.878 6.000 . 0 0 "[ . 1 .]" 1
673 1 39 VAL MG2 1 40 LYS H 5.000 . 5.000 4.263 4.163 4.377 . 0 0 "[ . 1 .]" 1
674 1 39 VAL HA 1 41 GLU H 5.000 . 5.000 4.024 3.703 4.254 . 0 0 "[ . 1 .]" 1
675 1 39 VAL HB 1 41 GLU H 5.000 . 5.000 3.938 3.256 4.589 . 0 0 "[ . 1 .]" 1
676 1 39 VAL MG1 1 41 GLU H 5.000 . 5.000 2.363 2.076 2.734 . 0 0 "[ . 1 .]" 1
677 1 39 VAL MG2 1 41 GLU H 5.000 . 5.000 4.888 4.462 5.017 0.017 5 0 "[ . 1 .]" 1
678 1 39 VAL MG1 1 42 LEU HA 6.000 . 6.000 3.629 3.337 4.014 . 0 0 "[ . 1 .]" 1
679 1 39 VAL HB 1 44 SER HB3 5.000 . 5.000 4.798 4.436 5.010 0.010 3 0 "[ . 1 .]" 1
680 1 39 VAL HB 1 44 SER HB2 5.000 . 5.000 4.434 3.821 4.984 . 0 0 "[ . 1 .]" 1
681 1 39 VAL MG1 1 44 SER H 6.000 . 6.000 3.390 3.176 3.644 . 0 0 "[ . 1 .]" 1
682 1 39 VAL MG1 1 44 SER HB3 5.000 . 5.000 2.110 1.847 2.378 . 0 0 "[ . 1 .]" 1
683 1 39 VAL MG1 1 44 SER HB2 5.000 . 5.000 2.091 1.826 2.356 . 0 0 "[ . 1 .]" 1
684 1 39 VAL MG2 1 44 SER HB3 6.000 . 6.000 4.418 3.616 4.981 . 0 0 "[ . 1 .]" 1
685 1 39 VAL MG2 1 44 SER HB2 5.000 . 5.000 4.722 4.322 5.011 0.011 12 0 "[ . 1 .]" 1
686 1 39 VAL HB 1 45 PHE QE 5.000 . 5.000 3.484 2.831 4.056 . 0 0 "[ . 1 .]" 1
687 1 39 VAL MG1 1 45 PHE H 5.000 . 5.000 3.096 2.869 3.507 . 0 0 "[ . 1 .]" 1
688 1 39 VAL MG1 1 45 PHE HA 6.000 . 6.000 2.877 2.382 3.513 . 0 0 "[ . 1 .]" 1
689 1 39 VAL MG1 1 45 PHE QD 5.000 . 5.000 2.901 2.564 3.129 . 0 0 "[ . 1 .]" 1
690 1 39 VAL MG1 1 45 PHE QE 5.000 . 5.000 3.169 2.885 3.425 . 0 0 "[ . 1 .]" 1
691 1 39 VAL MG1 1 45 PHE HZ 6.000 . 6.000 4.053 3.718 4.413 . 0 0 "[ . 1 .]" 1
692 1 39 VAL MG2 1 45 PHE H 6.000 . 6.000 4.866 4.505 5.421 . 0 0 "[ . 1 .]" 1
693 1 39 VAL MG2 1 45 PHE HA 6.000 . 6.000 3.612 3.300 4.084 . 0 0 "[ . 1 .]" 1
694 1 39 VAL MG2 1 45 PHE QD 5.000 . 5.000 2.577 1.963 3.074 . 0 0 "[ . 1 .]" 1
695 1 39 VAL MG2 1 45 PHE QE 5.000 . 5.000 1.960 1.821 2.256 . 0 0 "[ . 1 .]" 1
696 1 39 VAL MG2 1 45 PHE HZ 6.000 . 6.000 3.598 3.076 4.096 . 0 0 "[ . 1 .]" 1
697 1 39 VAL MG1 1 46 THR H 6.000 . 6.000 4.301 3.407 4.949 . 0 0 "[ . 1 .]" 1
698 1 40 LYS H 1 41 GLU H 3.500 . 3.500 2.702 2.389 2.846 . 0 0 "[ . 1 .]" 1
699 1 40 LYS HA 1 41 GLU H 3.500 . 3.500 3.528 3.467 3.549 0.049 15 0 "[ . 1 .]" 1
700 1 40 LYS HB3 1 41 GLU H 5.000 . 5.000 3.243 2.480 4.062 . 0 0 "[ . 1 .]" 1
701 1 40 LYS HB2 1 41 GLU H 5.000 . 5.000 3.080 2.474 3.810 . 0 0 "[ . 1 .]" 1
702 1 40 LYS HG3 1 41 GLU H 5.000 . 5.000 4.492 2.140 4.966 . 0 0 "[ . 1 .]" 1
703 1 40 LYS H 1 44 SER HB3 6.000 . 6.000 3.442 2.842 4.212 . 0 0 "[ . 1 .]" 1
704 1 40 LYS H 1 44 SER HB2 5.000 . 5.000 3.606 3.044 3.976 . 0 0 "[ . 1 .]" 1
705 1 41 GLU H 1 42 LEU H 5.000 . 5.000 4.400 4.335 4.488 . 0 0 "[ . 1 .]" 1
706 1 41 GLU HA 1 42 LEU H 3.500 . 3.500 2.545 2.310 2.638 . 0 0 "[ . 1 .]" 1
707 1 41 GLU HB3 1 42 LEU H 5.000 . 5.000 2.165 1.986 2.685 . 0 0 "[ . 1 .]" 1
708 1 41 GLU HB2 1 42 LEU H 3.500 . 3.500 3.496 3.440 3.616 0.116 12 0 "[ . 1 .]" 1
709 1 41 GLU HA 1 43 SER H 6.000 . 6.000 4.595 4.124 4.835 . 0 0 "[ . 1 .]" 1
710 1 41 GLU HB3 1 43 SER H 5.000 . 5.000 2.794 2.559 3.095 . 0 0 "[ . 1 .]" 1
711 1 41 GLU HB3 1 43 SER HA 6.000 . 6.000 5.494 5.192 5.725 . 0 0 "[ . 1 .]" 1
712 1 41 GLU HB2 1 43 SER H 5.000 . 5.000 3.657 3.138 4.401 . 0 0 "[ . 1 .]" 1
713 1 41 GLU H 1 44 SER HB3 6.000 . 6.000 3.235 2.996 3.772 . 0 0 "[ . 1 .]" 1
714 1 41 GLU H 1 44 SER HB2 5.000 . 5.000 2.067 1.928 2.565 . 0 0 "[ . 1 .]" 1
715 1 41 GLU HA 1 44 SER H 5.000 . 5.000 4.603 4.489 4.681 . 0 0 "[ . 1 .]" 1
716 1 41 GLU HB3 1 44 SER H 5.000 . 5.000 3.542 3.061 3.750 . 0 0 "[ . 1 .]" 1
717 1 41 GLU HB3 1 44 SER HB3 6.000 . 6.000 5.888 5.247 6.004 0.004 10 0 "[ . 1 .]" 1
718 1 41 GLU HB2 1 44 SER H 5.000 . 5.000 3.189 2.417 4.304 . 0 0 "[ . 1 .]" 1
719 1 41 GLU HB2 1 44 SER HB3 6.000 . 6.000 4.705 4.214 5.350 . 0 0 "[ . 1 .]" 1
720 1 41 GLU HB2 1 44 SER HB2 5.000 . 5.000 3.222 2.639 3.949 . 0 0 "[ . 1 .]" 1
721 1 42 LEU H 1 43 SER H 5.000 . 5.000 2.616 2.505 2.744 . 0 0 "[ . 1 .]" 1
722 1 42 LEU HA 1 43 SER H 5.000 . 5.000 3.539 3.495 3.559 . 0 0 "[ . 1 .]" 1
723 1 42 LEU HB3 1 43 SER H 5.000 . 5.000 3.754 3.593 3.959 . 0 0 "[ . 1 .]" 1
724 1 42 LEU HB2 1 43 SER H 5.000 . 5.000 2.542 2.358 2.802 . 0 0 "[ . 1 .]" 1
725 1 42 LEU HA 1 44 SER H 6.000 . 6.000 3.832 3.679 3.979 . 0 0 "[ . 1 .]" 1
726 1 42 LEU HA 1 45 PHE QD 6.000 . 6.000 3.152 2.356 4.026 . 0 0 "[ . 1 .]" 1
727 1 42 LEU HA 1 45 PHE QE 5.000 . 5.000 2.726 2.490 3.194 . 0 0 "[ . 1 .]" 1
728 1 42 LEU HA 1 45 PHE HZ 6.000 . 6.000 4.021 3.623 4.419 . 0 0 "[ . 1 .]" 1
729 1 42 LEU MD2 1 45 PHE QD 6.000 . 6.000 3.994 3.323 4.862 . 0 0 "[ . 1 .]" 1
730 1 42 LEU MD2 1 45 PHE QE 5.000 . 5.000 2.456 2.046 3.267 . 0 0 "[ . 1 .]" 1
731 1 42 LEU MD2 1 45 PHE HZ 6.000 . 6.000 3.604 3.251 3.978 . 0 0 "[ . 1 .]" 1
732 1 42 LEU MD1 1 55 VAL MG1 6.000 . 6.000 3.884 3.587 4.259 . 0 0 "[ . 1 .]" 1
733 1 42 LEU MD1 1 55 VAL MG2 6.000 . 6.000 4.073 3.737 4.286 . 0 0 "[ . 1 .]" 1
734 1 42 LEU MD2 1 55 VAL HA 6.000 . 6.000 4.349 4.003 4.702 . 0 0 "[ . 1 .]" 1
735 1 42 LEU MD2 1 55 VAL MG1 6.000 . 6.000 2.373 2.098 2.728 . 0 0 "[ . 1 .]" 1
736 1 42 LEU MD2 1 55 VAL MG2 6.000 . 6.000 2.281 1.932 2.685 . 0 0 "[ . 1 .]" 1
737 1 42 LEU MD1 1 71 ILE HA 6.000 . 6.000 4.618 4.171 5.007 . 0 0 "[ . 1 .]" 1
738 1 42 LEU MD1 1 71 ILE MG 5.000 . 5.000 4.147 3.857 4.493 . 0 0 "[ . 1 .]" 1
739 1 42 LEU MD1 1 71 ILE MD 5.000 . 5.000 4.928 4.430 5.017 0.017 13 0 "[ . 1 .]" 1
740 1 42 LEU MD1 1 74 MET H 6.000 . 6.000 4.649 4.268 5.041 . 0 0 "[ . 1 .]" 1
741 1 42 LEU MD1 1 74 MET HB3 5.000 . 5.000 2.804 2.260 3.465 . 0 0 "[ . 1 .]" 1
742 1 42 LEU MD1 1 74 MET HB2 5.000 . 5.000 3.691 2.880 4.740 . 0 0 "[ . 1 .]" 1
743 1 42 LEU MD1 1 74 MET QG 5.000 . 5.000 3.830 1.964 4.502 . 0 0 "[ . 1 .]" 1
744 1 42 LEU MD1 1 74 MET ME 5.000 . 5.000 2.789 1.952 3.416 . 0 0 "[ . 1 .]" 1
745 1 42 LEU MD2 1 74 MET ME 5.000 . 5.000 4.544 3.848 5.001 0.001 8 0 "[ . 1 .]" 1
746 1 42 LEU HB2 1 75 CYS HB3 6.000 . 6.000 4.747 3.773 5.703 . 0 0 "[ . 1 .]" 1
747 1 42 LEU MD1 1 75 CYS H 6.000 . 6.000 3.514 3.137 3.858 . 0 0 "[ . 1 .]" 1
748 1 42 LEU MD1 1 75 CYS HB3 6.000 . 6.000 2.487 1.842 3.299 . 0 0 "[ . 1 .]" 1
749 1 42 LEU MD1 1 75 CYS HB2 5.000 . 5.000 2.430 1.887 3.138 . 0 0 "[ . 1 .]" 1
750 1 42 LEU MD2 1 75 CYS HB3 6.000 . 6.000 2.569 1.920 3.447 . 0 0 "[ . 1 .]" 1
751 1 42 LEU MD2 1 75 CYS HB2 6.000 . 6.000 2.262 1.933 2.820 . 0 0 "[ . 1 .]" 1
752 1 43 SER HA 1 44 SER H 3.500 . 3.500 3.403 3.323 3.473 . 0 0 "[ . 1 .]" 1
753 1 43 SER HB3 1 44 SER H 5.000 . 5.000 3.559 3.098 4.218 . 0 0 "[ . 1 .]" 1
754 1 43 SER HB3 1 44 SER HA 5.000 . 5.000 4.235 4.004 4.641 . 0 0 "[ . 1 .]" 1
755 1 43 SER HB2 1 44 SER H 5.000 . 5.000 3.682 3.016 4.341 . 0 0 "[ . 1 .]" 1
756 1 44 SER H 1 45 PHE H 3.500 . 3.500 2.621 2.497 2.770 . 0 0 "[ . 1 .]" 1
757 1 44 SER HA 1 45 PHE H 3.500 . 3.500 3.367 3.002 3.459 . 0 0 "[ . 1 .]" 1
758 1 44 SER HB3 1 45 PHE H 5.000 . 5.000 3.802 3.363 4.333 . 0 0 "[ . 1 .]" 1
759 1 44 SER HB2 1 45 PHE H 5.000 . 5.000 3.484 3.058 4.083 . 0 0 "[ . 1 .]" 1
760 1 45 PHE H 1 46 THR H 6.000 . 6.000 4.445 4.173 4.630 . 0 0 "[ . 1 .]" 1
761 1 45 PHE HA 1 46 THR H 3.500 . 3.500 2.205 2.139 2.611 . 0 0 "[ . 1 .]" 1
762 1 45 PHE HB3 1 46 THR H 5.000 . 5.000 3.400 1.997 3.967 . 0 0 "[ . 1 .]" 1
763 1 45 PHE HB2 1 46 THR H 5.000 . 5.000 4.309 3.474 4.604 . 0 0 "[ . 1 .]" 1
764 1 45 PHE QD 1 46 THR H 5.000 . 5.000 3.576 3.145 3.865 . 0 0 "[ . 1 .]" 1
765 1 45 PHE QD 1 53 PRO HA 5.000 . 5.000 3.138 2.772 3.516 . 0 0 "[ . 1 .]" 1
766 1 45 PHE QD 1 53 PRO HB3 5.000 . 5.000 3.066 2.585 3.489 . 0 0 "[ . 1 .]" 1
767 1 45 PHE QD 1 53 PRO HB2 5.000 . 5.000 3.544 3.299 3.923 . 0 0 "[ . 1 .]" 1
768 1 45 PHE QE 1 53 PRO HA 5.000 . 5.000 3.209 2.643 3.767 . 0 0 "[ . 1 .]" 1
769 1 45 PHE QE 1 53 PRO HB3 5.000 . 5.000 4.171 3.674 4.728 . 0 0 "[ . 1 .]" 1
770 1 45 PHE QE 1 53 PRO HB2 5.000 . 5.000 3.851 3.428 4.236 . 0 0 "[ . 1 .]" 1
771 1 45 PHE HZ 1 53 PRO HA 5.000 . 5.000 4.679 4.302 5.004 0.004 10 0 "[ . 1 .]" 1
772 1 45 PHE QD 1 54 ILE H 6.000 . 6.000 3.998 3.745 4.198 . 0 0 "[ . 1 .]" 1
773 1 45 PHE QE 1 54 ILE H 5.000 . 5.000 2.617 2.173 3.074 . 0 0 "[ . 1 .]" 1
774 1 45 PHE HZ 1 54 ILE H 6.000 . 6.000 3.385 3.032 3.701 . 0 0 "[ . 1 .]" 1
775 1 45 PHE QD 1 55 VAL MG2 6.000 . 6.000 4.069 3.752 4.465 . 0 0 "[ . 1 .]" 1
776 1 45 PHE QE 1 55 VAL H 6.000 . 6.000 5.215 4.954 5.453 . 0 0 "[ . 1 .]" 1
777 1 45 PHE QE 1 55 VAL HA 6.000 . 6.000 4.350 4.083 4.604 . 0 0 "[ . 1 .]" 1
778 1 45 PHE QE 1 55 VAL MG2 5.000 . 5.000 2.260 2.008 2.674 . 0 0 "[ . 1 .]" 1
779 1 45 PHE HZ 1 55 VAL HA 5.000 . 5.000 3.232 2.940 3.491 . 0 0 "[ . 1 .]" 1
780 1 45 PHE HZ 1 55 VAL MG1 6.000 . 6.000 3.870 3.477 4.098 . 0 0 "[ . 1 .]" 1
781 1 45 PHE HZ 1 55 VAL MG2 5.000 . 5.000 2.132 1.923 2.653 . 0 0 "[ . 1 .]" 1
782 1 45 PHE QD 1 75 CYS HB2 5.000 . 5.000 4.785 4.287 5.007 0.007 13 0 "[ . 1 .]" 1
783 1 45 PHE QD 1 77 ALA MB 6.000 . 6.000 3.265 2.798 3.856 . 0 0 "[ . 1 .]" 1
784 1 45 PHE QE 1 77 ALA HA 6.000 . 6.000 5.262 4.680 5.948 . 0 0 "[ . 1 .]" 1
785 1 45 PHE QE 1 77 ALA MB 5.000 . 5.000 2.495 1.943 3.252 . 0 0 "[ . 1 .]" 1
786 1 45 PHE HZ 1 77 ALA MB 6.000 . 6.000 3.269 2.756 3.803 . 0 0 "[ . 1 .]" 1
787 1 46 THR H 1 47 LEU H 5.000 . 5.000 3.995 2.540 4.632 . 0 0 "[ . 1 .]" 1
788 1 46 THR HA 1 47 LEU H 3.500 . 3.500 2.429 2.139 3.509 0.009 9 0 "[ . 1 .]" 1
789 1 46 THR HB 1 47 LEU H 5.000 . 5.000 3.470 2.112 4.512 . 0 0 "[ . 1 .]" 1
790 1 46 THR MG 1 47 LEU H 5.000 . 5.000 3.588 1.995 4.284 . 0 0 "[ . 1 .]" 1
791 1 46 THR H 1 51 VAL MG1 6.000 . 6.000 5.092 3.040 6.002 0.002 12 0 "[ . 1 .]" 1
792 1 46 THR H 1 51 VAL MG2 6.000 . 6.000 4.666 3.391 5.915 . 0 0 "[ . 1 .]" 1
793 1 46 THR HB 1 51 VAL MG2 6.000 . 6.000 4.770 2.698 6.009 0.009 2 0 "[ . 1 .]" 1
794 1 47 LEU H 1 48 GLY H 6.000 . 6.000 3.713 1.993 4.641 . 0 0 "[ . 1 .]" 1
795 1 47 LEU HA 1 48 GLY H 3.500 . 3.500 2.505 2.151 3.528 0.028 13 0 "[ . 1 .]" 1
796 1 47 LEU HB3 1 48 GLY H 5.000 . 5.000 3.770 2.448 4.503 . 0 0 "[ . 1 .]" 1
797 1 47 LEU HB2 1 48 GLY H 5.000 . 5.000 4.005 2.553 4.657 . 0 0 "[ . 1 .]" 1
798 1 47 LEU MD2 1 48 GLY H 6.000 . 6.000 4.349 2.551 5.371 . 0 0 "[ . 1 .]" 1
799 1 48 GLY HA2 1 49 THR H 3.500 . 3.500 3.184 2.576 3.487 . 0 0 "[ . 1 .]" 1
800 1 48 GLY H 1 51 VAL MG1 6.000 . 6.000 4.683 3.771 5.603 . 0 0 "[ . 1 .]" 1
801 1 48 GLY H 1 51 VAL MG2 6.000 . 6.000 2.935 1.857 4.741 . 0 0 "[ . 1 .]" 1
802 1 49 THR H 1 50 GLY H 6.000 . 6.000 2.263 1.978 2.720 . 0 0 "[ . 1 .]" 1
803 1 49 THR HA 1 50 GLY H 5.000 . 5.000 3.419 2.843 3.574 . 0 0 "[ . 1 .]" 1
804 1 49 THR HB 1 50 GLY H 6.000 . 6.000 3.345 1.998 4.564 . 0 0 "[ . 1 .]" 1
805 1 49 THR H 1 51 VAL H 5.000 . 5.000 3.996 2.966 4.912 . 0 0 "[ . 1 .]" 1
806 1 49 THR MG 1 51 VAL H 6.000 . 6.000 5.458 3.953 5.995 . 0 0 "[ . 1 .]" 1
807 1 50 GLY H 1 51 VAL H 5.000 . 5.000 2.782 1.950 3.814 . 0 0 "[ . 1 .]" 1
808 1 50 GLY HA3 1 51 VAL H 3.500 . 3.500 3.392 2.787 3.542 0.042 8 0 "[ . 1 .]" 1
809 1 50 GLY HA2 1 51 VAL H 3.500 . 3.500 2.812 2.254 3.534 0.034 6 0 "[ . 1 .]" 1
810 1 51 VAL HA 1 52 HIS H 3.500 . 3.500 2.173 2.140 2.262 . 0 0 "[ . 1 .]" 1
811 1 51 VAL HB 1 52 HIS H 5.000 . 5.000 3.675 2.781 4.225 . 0 0 "[ . 1 .]" 1
812 1 51 VAL MG1 1 52 HIS H 5.000 . 5.000 3.298 2.127 3.948 . 0 0 "[ . 1 .]" 1
813 1 51 VAL MG2 1 52 HIS H 5.000 . 5.000 4.127 3.741 4.303 . 0 0 "[ . 1 .]" 1
814 1 52 HIS HA 1 53 PRO HG3 5.000 . 5.000 4.357 4.325 4.378 . 0 0 "[ . 1 .]" 1
815 1 52 HIS HA 1 53 PRO HG2 5.000 . 5.000 4.418 4.356 4.496 . 0 0 "[ . 1 .]" 1
816 1 52 HIS HA 1 53 PRO HD3 2.500 . 2.500 2.189 2.100 2.257 . 0 0 "[ . 1 .]" 1
817 1 52 HIS HA 1 53 PRO HD2 2.500 . 2.500 2.301 2.198 2.443 . 0 0 "[ . 1 .]" 1
818 1 52 HIS HB3 1 53 PRO HD3 5.000 . 5.000 4.418 3.917 4.865 . 0 0 "[ . 1 .]" 1
819 1 52 HIS HB3 1 53 PRO HD2 5.000 . 5.000 3.521 2.792 4.207 . 0 0 "[ . 1 .]" 1
820 1 52 HIS HB2 1 53 PRO HD3 5.000 . 5.000 4.878 4.682 5.005 0.005 2 0 "[ . 1 .]" 1
821 1 52 HIS HB2 1 53 PRO HD2 5.000 . 5.000 4.350 4.155 4.640 . 0 0 "[ . 1 .]" 1
822 1 52 HIS HB2 1 54 ILE MD 6.000 . 6.000 3.999 3.072 4.774 . 0 0 "[ . 1 .]" 1
823 1 53 PRO HA 1 54 ILE H 2.500 . 2.500 2.156 2.145 2.173 . 0 0 "[ . 1 .]" 1
824 1 53 PRO HB2 1 54 ILE H 5.000 . 5.000 3.454 3.312 3.593 . 0 0 "[ . 1 .]" 1
825 1 53 PRO HB2 1 54 ILE HA 6.000 . 6.000 4.272 4.231 4.338 . 0 0 "[ . 1 .]" 1
826 1 53 PRO HA 1 55 VAL MG2 6.000 . 6.000 5.178 5.070 5.314 . 0 0 "[ . 1 .]" 1
827 1 53 PRO HA 1 77 ALA MB 6.000 . 6.000 3.887 3.702 4.163 . 0 0 "[ . 1 .]" 1
828 1 53 PRO HB3 1 77 ALA MB 5.000 . 5.000 3.570 3.406 3.805 . 0 0 "[ . 1 .]" 1
829 1 53 PRO HB2 1 77 ALA MB 5.000 . 5.000 2.034 1.923 2.292 . 0 0 "[ . 1 .]" 1
830 1 53 PRO HG3 1 77 ALA HA 5.000 . 5.000 4.854 4.578 5.001 0.001 5 0 "[ . 1 .]" 1
831 1 53 PRO HG3 1 77 ALA MB 5.000 . 5.000 3.906 3.728 4.113 . 0 0 "[ . 1 .]" 1
832 1 53 PRO HG2 1 77 ALA HA 5.000 . 5.000 3.651 3.417 3.838 . 0 0 "[ . 1 .]" 1
833 1 53 PRO HG2 1 77 ALA MB 5.000 . 5.000 2.993 2.661 3.449 . 0 0 "[ . 1 .]" 1
834 1 53 PRO HB2 1 78 PRO HD3 6.000 . 6.000 4.724 4.493 4.964 . 0 0 "[ . 1 .]" 1
835 1 53 PRO HG3 1 78 PRO HD3 6.000 . 6.000 5.526 5.325 5.732 . 0 0 "[ . 1 .]" 1
836 1 53 PRO HG2 1 78 PRO HD3 6.000 . 6.000 3.836 3.600 4.087 . 0 0 "[ . 1 .]" 1
837 1 54 ILE HA 1 55 VAL H 2.500 . 2.500 2.314 2.232 2.402 . 0 0 "[ . 1 .]" 1
838 1 54 ILE MG 1 55 VAL H 6.000 . 6.000 1.992 1.877 2.138 . 0 0 "[ . 1 .]" 1
839 1 54 ILE MG 1 55 VAL HA 6.000 . 6.000 3.826 3.635 4.026 . 0 0 "[ . 1 .]" 1
840 1 54 ILE MG 1 55 VAL HB 6.000 . 6.000 4.343 4.251 4.471 . 0 0 "[ . 1 .]" 1
841 1 54 ILE MG 1 56 VAL H 6.000 . 6.000 4.729 4.550 5.004 . 0 0 "[ . 1 .]" 1
842 1 54 ILE MG 1 56 VAL HA 6.000 . 6.000 4.511 4.332 4.691 . 0 0 "[ . 1 .]" 1
843 1 54 ILE HA 1 78 PRO HA 6.000 . 6.000 5.253 5.115 5.333 . 0 0 "[ . 1 .]" 1
844 1 54 ILE HA 1 78 PRO HB3 5.000 . 5.000 4.984 4.926 5.021 0.021 13 0 "[ . 1 .]" 1
845 1 54 ILE HA 1 78 PRO HB2 5.000 . 5.000 4.397 4.243 4.500 . 0 0 "[ . 1 .]" 1
846 1 54 ILE HA 1 78 PRO HG3 3.500 . 3.500 3.505 3.486 3.524 0.024 9 0 "[ . 1 .]" 1
847 1 54 ILE HA 1 78 PRO HG2 3.500 . 3.500 2.208 2.082 2.284 . 0 0 "[ . 1 .]" 1
848 1 54 ILE HA 1 78 PRO HD2 5.000 . 5.000 2.085 1.968 2.352 . 0 0 "[ . 1 .]" 1
849 1 54 ILE MG 1 78 PRO HB2 6.000 . 6.000 3.346 3.123 3.561 . 0 0 "[ . 1 .]" 1
850 1 54 ILE MG 1 78 PRO HG3 6.000 . 6.000 3.417 3.304 3.845 . 0 0 "[ . 1 .]" 1
851 1 54 ILE MG 1 78 PRO HG2 6.000 . 6.000 1.998 1.900 2.407 . 0 0 "[ . 1 .]" 1
852 1 54 ILE MD 1 78 PRO HB2 6.000 . 6.000 3.851 3.300 4.163 . 0 0 "[ . 1 .]" 1
853 1 54 ILE MD 1 78 PRO HG3 5.000 . 5.000 2.331 2.203 2.571 . 0 0 "[ . 1 .]" 1
854 1 54 ILE MD 1 78 PRO HG2 6.000 . 6.000 2.022 1.866 2.265 . 0 0 "[ . 1 .]" 1
855 1 54 ILE MD 1 78 PRO HD3 5.000 . 5.000 3.445 3.231 3.706 . 0 0 "[ . 1 .]" 1
856 1 54 ILE MD 1 78 PRO HD2 6.000 . 6.000 2.741 2.518 3.019 . 0 0 "[ . 1 .]" 1
857 1 54 ILE MG 1 79 VAL HA 6.000 . 6.000 4.202 3.930 4.474 . 0 0 "[ . 1 .]" 1
858 1 54 ILE HA 1 80 VAL MG2 6.000 . 6.000 5.124 4.830 5.454 . 0 0 "[ . 1 .]" 1
859 1 54 ILE MG 1 80 VAL H 6.000 . 6.000 4.175 3.902 4.402 . 0 0 "[ . 1 .]" 1
860 1 54 ILE MG 1 80 VAL MG1 6.000 . 6.000 3.543 3.421 3.677 . 0 0 "[ . 1 .]" 1
861 1 54 ILE MG 1 80 VAL MG2 6.000 . 6.000 2.647 2.438 2.923 . 0 0 "[ . 1 .]" 1
862 1 54 ILE HB 1 84 TRP HZ3 6.000 . 6.000 4.309 4.098 4.566 . 0 0 "[ . 1 .]" 1
863 1 54 ILE HG13 1 84 TRP HH2 3.500 . 3.500 3.397 3.035 3.510 0.010 1 0 "[ . 1 .]" 1
864 1 54 ILE HG13 1 84 TRP HZ3 5.000 . 5.000 4.532 4.236 4.849 . 0 0 "[ . 1 .]" 1
865 1 54 ILE MG 1 84 TRP HE3 6.000 . 6.000 4.067 3.911 4.232 . 0 0 "[ . 1 .]" 1
866 1 54 ILE MG 1 84 TRP HH2 5.000 . 5.000 3.834 3.572 4.037 . 0 0 "[ . 1 .]" 1
867 1 54 ILE MG 1 84 TRP HZ3 5.000 . 5.000 3.689 3.476 3.830 . 0 0 "[ . 1 .]" 1
868 1 54 ILE MD 1 84 TRP HH2 5.000 . 5.000 4.540 4.324 4.709 . 0 0 "[ . 1 .]" 1
869 1 54 ILE MD 1 84 TRP HZ2 6.000 . 6.000 4.453 4.236 4.598 . 0 0 "[ . 1 .]" 1
870 1 54 ILE MD 1 84 TRP HZ3 6.000 . 6.000 5.512 5.328 5.657 . 0 0 "[ . 1 .]" 1
871 1 54 ILE HA 1 97 LEU MD2 6.000 . 6.000 3.658 3.431 3.863 . 0 0 "[ . 1 .]" 1
872 1 54 ILE MG 1 97 LEU MD1 5.000 . 5.000 2.745 2.446 3.156 . 0 0 "[ . 1 .]" 1
873 1 54 ILE MG 1 97 LEU MD2 6.000 . 6.000 1.763 1.700 1.838 . 0 0 "[ . 1 .]" 1
874 1 54 ILE MD 1 97 LEU MD1 6.000 . 6.000 2.493 1.968 2.998 . 0 0 "[ . 1 .]" 1
875 1 54 ILE MD 1 97 LEU MD2 6.000 . 6.000 2.425 1.863 2.799 . 0 0 "[ . 1 .]" 1
876 1 55 VAL H 1 56 VAL H 6.000 . 6.000 4.414 4.347 4.477 . 0 0 "[ . 1 .]" 1
877 1 55 VAL HA 1 56 VAL H 2.500 . 2.500 2.257 2.200 2.300 . 0 0 "[ . 1 .]" 1
878 1 55 VAL HA 1 56 VAL MG2 6.000 . 6.000 3.353 3.137 3.842 . 0 0 "[ . 1 .]" 1
879 1 55 VAL HB 1 56 VAL H 5.000 . 5.000 3.836 3.643 4.005 . 0 0 "[ . 1 .]" 1
880 1 55 VAL MG1 1 56 VAL H 6.000 . 6.000 2.087 1.938 2.345 . 0 0 "[ . 1 .]" 1
881 1 55 VAL MG1 1 56 VAL HA 5.000 . 5.000 3.724 3.579 3.957 . 0 0 "[ . 1 .]" 1
882 1 55 VAL MG2 1 56 VAL H 6.000 . 6.000 3.992 3.837 4.068 . 0 0 "[ . 1 .]" 1
883 1 55 VAL MG1 1 57 VAL MG2 6.000 . 6.000 3.699 2.649 4.486 . 0 0 "[ . 1 .]" 1
884 1 55 VAL HB 1 71 ILE MG 5.000 . 5.000 4.143 3.908 4.505 . 0 0 "[ . 1 .]" 1
885 1 55 VAL MG1 1 71 ILE MG 5.000 . 5.000 3.016 2.684 3.514 . 0 0 "[ . 1 .]" 1
886 1 55 VAL MG2 1 71 ILE MG 5.000 . 5.000 4.243 3.922 4.504 . 0 0 "[ . 1 .]" 1
887 1 55 VAL H 1 77 ALA MB 3.500 . 3.500 3.252 2.900 3.507 0.007 13 0 "[ . 1 .]" 1
888 1 55 VAL HA 1 77 ALA MB 6.000 . 6.000 4.217 3.980 4.499 . 0 0 "[ . 1 .]" 1
889 1 55 VAL MG2 1 77 ALA H 6.000 . 6.000 3.209 2.870 3.815 . 0 0 "[ . 1 .]" 1
890 1 55 VAL H 1 79 VAL HA 3.500 . 3.500 3.286 2.904 3.505 0.005 11 0 "[ . 1 .]" 1
891 1 55 VAL HA 1 79 VAL MG2 6.000 . 6.000 5.049 4.587 6.113 0.113 5 0 "[ . 1 .]" 1
892 1 55 VAL HB 1 79 VAL HA 3.500 . 3.500 2.149 1.929 2.573 . 0 0 "[ . 1 .]" 1
893 1 55 VAL HB 1 79 VAL MG1 5.000 . 5.000 2.985 1.857 3.410 . 0 0 "[ . 1 .]" 1
894 1 55 VAL HB 1 79 VAL MG2 5.000 . 5.000 2.555 2.148 3.965 . 0 0 "[ . 1 .]" 1
895 1 55 VAL MG1 1 79 VAL HA 6.000 . 6.000 3.086 2.778 3.532 . 0 0 "[ . 1 .]" 1
896 1 55 VAL MG1 1 79 VAL HB 6.000 . 6.000 4.374 2.285 5.025 . 0 0 "[ . 1 .]" 1
897 1 55 VAL MG1 1 79 VAL MG1 6.000 . 6.000 2.265 1.810 2.766 . 0 0 "[ . 1 .]" 1
898 1 55 VAL MG1 1 79 VAL MG2 6.000 . 6.000 2.625 2.102 3.837 . 0 0 "[ . 1 .]" 1
899 1 55 VAL MG2 1 79 VAL HA 6.000 . 6.000 3.795 3.567 4.130 . 0 0 "[ . 1 .]" 1
900 1 55 VAL MG2 1 79 VAL MG2 6.000 . 6.000 3.213 2.786 4.711 . 0 0 "[ . 1 .]" 1
901 1 55 VAL H 1 80 VAL H 6.000 . 6.000 4.163 3.954 4.338 . 0 0 "[ . 1 .]" 1
902 1 55 VAL H 1 80 VAL MG2 6.000 . 6.000 3.747 3.376 3.989 . 0 0 "[ . 1 .]" 1
903 1 55 VAL HB 1 80 VAL H 5.000 . 5.000 3.971 3.850 4.241 . 0 0 "[ . 1 .]" 1
904 1 55 VAL MG1 1 80 VAL H 6.000 . 6.000 4.019 3.779 4.413 . 0 0 "[ . 1 .]" 1
905 1 55 VAL MG2 1 80 VAL H 6.000 . 6.000 5.247 5.157 5.432 . 0 0 "[ . 1 .]" 1
906 1 56 VAL H 1 57 VAL H 5.000 . 5.000 4.474 4.362 4.523 . 0 0 "[ . 1 .]" 1
907 1 56 VAL HA 1 57 VAL H 2.500 . 2.500 2.314 2.170 2.379 . 0 0 "[ . 1 .]" 1
908 1 56 VAL HA 1 57 VAL MG1 6.000 . 6.000 4.274 3.678 5.273 . 0 0 "[ . 1 .]" 1
909 1 56 VAL HA 1 57 VAL MG2 6.000 . 6.000 3.147 2.940 3.416 . 0 0 "[ . 1 .]" 1
910 1 56 VAL HB 1 57 VAL H 5.000 . 5.000 3.551 2.690 4.026 . 0 0 "[ . 1 .]" 1
911 1 56 VAL MG1 1 57 VAL H 6.000 . 6.000 2.068 1.880 2.882 . 0 0 "[ . 1 .]" 1
912 1 56 VAL MG2 1 57 VAL H 6.000 . 6.000 3.938 3.692 4.115 . 0 0 "[ . 1 .]" 1
913 1 56 VAL H 1 79 VAL MG2 6.000 . 6.000 5.191 4.650 6.000 0.000 2 0 "[ . 1 .]" 1
914 1 56 VAL MG1 1 79 VAL HA 6.000 . 6.000 5.303 4.859 5.544 . 0 0 "[ . 1 .]" 1
915 1 56 VAL H 1 80 VAL H 5.000 . 5.000 4.289 4.115 4.572 . 0 0 "[ . 1 .]" 1
916 1 56 VAL H 1 80 VAL MG2 6.000 . 6.000 4.657 4.348 4.908 . 0 0 "[ . 1 .]" 1
917 1 56 VAL HA 1 80 VAL H 3.500 . 3.500 2.129 2.074 2.312 . 0 0 "[ . 1 .]" 1
918 1 56 VAL HA 1 80 VAL MG2 5.000 . 5.000 2.711 2.271 3.088 . 0 0 "[ . 1 .]" 1
919 1 56 VAL HB 1 80 VAL H 5.000 . 5.000 5.061 5.029 5.084 0.084 15 0 "[ . 1 .]" 1
920 1 56 VAL HB 1 80 VAL MG2 6.000 . 6.000 4.562 4.100 4.894 . 0 0 "[ . 1 .]" 1
921 1 56 VAL MG1 1 80 VAL H 6.000 . 6.000 3.735 3.302 4.029 . 0 0 "[ . 1 .]" 1
922 1 56 VAL MG1 1 80 VAL MG1 6.000 . 6.000 4.907 4.367 5.325 . 0 0 "[ . 1 .]" 1
923 1 56 VAL MG1 1 80 VAL MG2 6.000 . 6.000 2.725 2.037 3.341 . 0 0 "[ . 1 .]" 1
924 1 56 VAL MG2 1 80 VAL H 6.000 . 6.000 3.762 3.378 4.744 . 0 0 "[ . 1 .]" 1
925 1 56 VAL MG2 1 80 VAL MG1 6.000 . 6.000 4.820 4.181 5.998 . 0 0 "[ . 1 .]" 1
926 1 56 VAL MG2 1 80 VAL MG2 6.000 . 6.000 2.656 1.883 4.062 . 0 0 "[ . 1 .]" 1
927 1 56 VAL HA 1 82 ARG HA 6.000 . 6.000 5.314 5.022 5.661 . 0 0 "[ . 1 .]" 1
928 1 56 VAL HB 1 82 ARG HA 6.000 . 6.000 4.713 3.702 5.294 . 0 0 "[ . 1 .]" 1
929 1 56 VAL MG1 1 82 ARG H 6.000 . 6.000 3.071 2.823 3.709 . 0 0 "[ . 1 .]" 1
930 1 56 VAL MG1 1 82 ARG HA 3.500 . 3.500 2.266 2.073 2.632 . 0 0 "[ . 1 .]" 1
931 1 56 VAL MG1 1 82 ARG HB3 5.000 . 5.000 3.179 2.895 3.827 . 0 0 "[ . 1 .]" 1
932 1 56 VAL MG1 1 82 ARG HB2 5.000 . 5.000 4.166 3.909 4.539 . 0 0 "[ . 1 .]" 1
933 1 56 VAL MG1 1 82 ARG HG3 5.000 . 5.000 4.354 3.798 4.824 . 0 0 "[ . 1 .]" 1
934 1 56 VAL MG1 1 82 ARG HG2 5.000 . 5.000 4.256 2.472 5.004 0.004 13 0 "[ . 1 .]" 1
935 1 56 VAL MG1 1 82 ARG HD2 6.000 . 6.000 5.432 4.221 6.024 0.024 5 0 "[ . 1 .]" 1
936 1 56 VAL MG2 1 82 ARG H 6.000 . 6.000 5.293 4.930 5.516 . 0 0 "[ . 1 .]" 1
937 1 56 VAL MG2 1 82 ARG HB3 5.000 . 5.000 4.967 4.701 5.035 0.035 7 0 "[ . 1 .]" 1
938 1 56 VAL MG1 1 83 GLU H 6.000 . 6.000 4.457 4.223 4.922 . 0 0 "[ . 1 .]" 1
939 1 56 VAL MG1 1 84 TRP HZ3 6.000 . 6.000 5.421 4.208 5.985 . 0 0 "[ . 1 .]" 1
940 1 56 VAL MG2 1 84 TRP HZ3 6.000 . 6.000 3.921 3.563 4.687 . 0 0 "[ . 1 .]" 1
941 1 56 VAL H 1 85 VAL MG2 6.000 . 6.000 5.644 5.304 5.952 . 0 0 "[ . 1 .]" 1
942 1 56 VAL MG1 1 85 VAL H 6.000 . 6.000 3.924 3.300 4.652 . 0 0 "[ . 1 .]" 1
943 1 56 VAL MG1 1 85 VAL MG1 6.000 . 6.000 4.446 3.946 4.928 . 0 0 "[ . 1 .]" 1
944 1 56 VAL MG2 1 85 VAL H 6.000 . 6.000 4.294 3.803 5.302 . 0 0 "[ . 1 .]" 1
945 1 57 VAL HA 1 58 GLN H 3.500 . 3.500 2.580 2.139 2.739 . 0 0 "[ . 1 .]" 1
946 1 57 VAL HB 1 58 GLN H 3.500 . 3.500 2.246 1.892 3.428 . 0 0 "[ . 1 .]" 1
947 1 57 VAL MG1 1 58 GLN H 6.000 . 6.000 2.893 1.859 3.822 . 0 0 "[ . 1 .]" 1
948 1 57 VAL MG2 1 58 GLN H 6.000 . 6.000 3.556 3.233 4.171 . 0 0 "[ . 1 .]" 1
949 1 57 VAL MG1 1 62 TRP HE1 6.000 . 6.000 4.503 3.216 5.706 . 0 0 "[ . 1 .]" 1
950 1 57 VAL MG1 1 62 TRP HZ2 6.000 . 6.000 5.021 3.123 6.006 0.006 10 0 "[ . 1 .]" 1
951 1 57 VAL MG1 1 79 VAL MG1 5.000 . 5.000 2.263 1.674 3.558 . 0 0 "[ . 1 .]" 1
952 1 57 VAL H 1 80 VAL H 5.000 . 5.000 3.531 3.104 3.759 . 0 0 "[ . 1 .]" 1
953 1 57 VAL H 1 80 VAL HA 5.000 . 5.000 4.547 3.848 4.809 . 0 0 "[ . 1 .]" 1
954 1 57 VAL H 1 80 VAL MG1 6.000 . 6.000 5.568 5.123 5.764 . 0 0 "[ . 1 .]" 1
955 1 57 VAL H 1 80 VAL MG2 6.000 . 6.000 3.984 3.682 4.352 . 0 0 "[ . 1 .]" 1
956 1 57 VAL MG1 1 80 VAL H 6.000 . 6.000 4.632 3.746 5.822 . 0 0 "[ . 1 .]" 1
957 1 57 VAL H 1 81 THR H 5.000 . 5.000 4.236 3.738 4.454 . 0 0 "[ . 1 .]" 1
958 1 57 VAL H 1 81 THR HA 5.000 . 5.000 2.515 2.356 2.680 . 0 0 "[ . 1 .]" 1
959 1 57 VAL H 1 81 THR HB 5.000 . 5.000 4.833 4.608 5.005 0.005 2 0 "[ . 1 .]" 1
960 1 57 VAL H 1 81 THR MG 6.000 . 6.000 4.199 3.946 4.521 . 0 0 "[ . 1 .]" 1
961 1 57 VAL HB 1 81 THR H 6.000 . 6.000 6.024 6.008 6.043 0.043 15 0 "[ . 1 .]" 1
962 1 57 VAL MG2 1 81 THR H 6.000 . 6.000 3.860 3.194 5.338 . 0 0 "[ . 1 .]" 1
963 1 57 VAL MG2 1 81 THR HA 6.000 . 6.000 3.178 2.487 4.264 . 0 0 "[ . 1 .]" 1
964 1 57 VAL MG2 1 81 THR HB 6.000 . 6.000 4.747 3.899 6.008 0.008 15 0 "[ . 1 .]" 1
965 1 57 VAL MG2 1 81 THR MG 6.000 . 6.000 3.152 2.381 4.510 . 0 0 "[ . 1 .]" 1
966 1 57 VAL MG2 1 102 ILE H 6.000 . 6.000 4.250 3.286 5.674 . 0 0 "[ . 1 .]" 1
967 1 58 GLN H 1 81 THR HA 5.000 . 5.000 4.783 4.096 5.044 0.044 7 0 "[ . 1 .]" 1
968 1 59 PRO HB3 1 60 ASP H 5.000 . 5.000 4.257 3.829 4.660 . 0 0 "[ . 1 .]" 1
969 1 59 PRO HB2 1 60 ASP H 5.000 . 5.000 4.151 3.419 4.359 . 0 0 "[ . 1 .]" 1
970 1 59 PRO QG 1 60 ASP H 5.000 . 5.000 4.688 4.427 4.851 . 0 0 "[ . 1 .]" 1
971 1 59 PRO HA 1 62 TRP HD1 5.000 . 5.000 4.160 2.716 5.002 0.002 1 0 "[ . 1 .]" 1
972 1 59 PRO HB2 1 68 PHE QD 6.000 . 6.000 5.373 4.397 6.006 0.006 14 0 "[ . 1 .]" 1
973 1 59 PRO HB2 1 68 PHE QE 6.000 . 6.000 5.594 5.131 5.932 . 0 0 "[ . 1 .]" 1
974 1 59 PRO QG 1 81 THR MG 6.000 . 6.000 4.584 3.792 5.420 . 0 0 "[ . 1 .]" 1
975 1 59 PRO HD2 1 81 THR MG 6.000 . 6.000 3.675 3.181 4.429 . 0 0 "[ . 1 .]" 1
976 1 60 ASP H 1 61 ALA H 3.500 . 3.500 2.097 1.969 2.579 . 0 0 "[ . 1 .]" 1
977 1 60 ASP H 1 61 ALA MB 5.000 . 5.000 4.105 3.895 4.324 . 0 0 "[ . 1 .]" 1
978 1 60 ASP HA 1 61 ALA H 3.500 . 3.500 3.534 3.520 3.554 0.054 12 0 "[ . 1 .]" 1
979 1 60 ASP H 1 62 TRP H 5.000 . 5.000 2.802 2.551 3.324 . 0 0 "[ . 1 .]" 1
980 1 61 ALA H 1 62 TRP H 3.500 . 3.500 2.647 2.331 2.883 . 0 0 "[ . 1 .]" 1
981 1 61 ALA MB 1 62 TRP H 5.000 . 5.000 3.551 2.947 3.693 . 0 0 "[ . 1 .]" 1
982 1 61 ALA MB 1 62 TRP HA 5.000 . 5.000 4.149 3.895 4.256 . 0 0 "[ . 1 .]" 1
983 1 61 ALA MB 1 62 TRP HD1 6.000 . 6.000 4.655 3.726 5.286 . 0 0 "[ . 1 .]" 1
984 1 62 TRP HA 1 63 THR H 5.000 . 5.000 3.485 3.328 3.558 . 0 0 "[ . 1 .]" 1
985 1 62 TRP HE3 1 67 GLY HA2 6.000 . 6.000 5.740 4.967 6.009 0.009 3 0 "[ . 1 .]" 1
986 1 62 TRP HZ3 1 67 GLY HA2 6.000 . 6.000 4.543 3.811 5.530 . 0 0 "[ . 1 .]" 1
987 1 62 TRP HH2 1 71 ILE MD 5.000 . 5.000 4.048 1.970 5.003 0.003 1 0 "[ . 1 .]" 1
988 1 62 TRP HZ2 1 71 ILE MD 5.000 . 5.000 3.884 2.769 4.959 . 0 0 "[ . 1 .]" 1
989 1 63 THR H 1 64 GLU H 5.000 . 5.000 3.992 2.676 4.641 . 0 0 "[ . 1 .]" 1
990 1 63 THR HA 1 64 GLU H 3.500 . 3.500 3.034 2.306 3.552 0.052 5 0 "[ . 1 .]" 1
991 1 63 THR HB 1 64 GLU H 3.500 . 3.500 2.749 1.926 3.511 0.011 9 0 "[ . 1 .]" 1
992 1 63 THR MG 1 64 GLU H 5.000 . 5.000 2.888 2.033 4.255 . 0 0 "[ . 1 .]" 1
993 1 64 GLU HA 1 65 ASP H 5.000 . 5.000 2.378 2.144 3.546 . 0 0 "[ . 1 .]" 1
994 1 64 GLU HB3 1 65 ASP H 6.000 . 6.000 3.517 2.440 4.551 . 0 0 "[ . 1 .]" 1
995 1 64 GLU HB2 1 65 ASP H 6.000 . 6.000 4.147 1.991 4.664 . 0 0 "[ . 1 .]" 1
996 1 67 GLY H 1 68 PHE H 6.000 . 6.000 3.460 2.681 4.117 . 0 0 "[ . 1 .]" 1
997 1 67 GLY HA2 1 70 ALA MB 6.000 . 6.000 5.721 4.928 6.005 0.005 8 0 "[ . 1 .]" 1
998 1 68 PHE H 1 69 HIS H 5.000 . 5.000 2.444 2.235 2.574 . 0 0 "[ . 1 .]" 1
999 1 68 PHE H 1 71 ILE MD 5.000 . 5.000 4.940 4.755 5.020 0.020 13 0 "[ . 1 .]" 1
1000 1 68 PHE HA 1 71 ILE HG12 5.000 . 5.000 3.829 2.225 4.640 . 0 0 "[ . 1 .]" 1
1001 1 68 PHE HA 1 71 ILE MD 5.000 . 5.000 2.475 2.296 2.766 . 0 0 "[ . 1 .]" 1
1002 1 68 PHE QB 1 71 ILE MD 5.000 . 5.000 3.590 3.362 4.119 . 0 0 "[ . 1 .]" 1
1003 1 68 PHE QD 1 71 ILE MD 5.000 . 5.000 2.730 2.567 3.451 . 0 0 "[ . 1 .]" 1
1004 1 68 PHE QE 1 71 ILE HA 6.000 . 6.000 5.455 5.226 5.544 . 0 0 "[ . 1 .]" 1
1005 1 68 PHE QE 1 71 ILE HB 6.000 . 6.000 4.414 2.885 5.593 . 0 0 "[ . 1 .]" 1
1006 1 68 PHE HZ 1 71 ILE HA 6.000 . 6.000 6.023 6.002 6.063 0.063 4 0 "[ . 1 .]" 1
1007 1 69 HIS H 1 70 ALA H 3.500 . 3.500 3.313 2.573 3.516 0.016 10 0 "[ . 1 .]" 1
1008 1 70 ALA H 1 71 ILE H 5.000 . 5.000 1.994 1.885 2.125 . 0 0 "[ . 1 .]" 1
1009 1 70 ALA H 1 71 ILE HG13 6.000 . 6.000 4.426 4.218 4.872 . 0 0 "[ . 1 .]" 1
1010 1 70 ALA H 1 71 ILE MD 6.000 . 6.000 3.132 2.575 3.484 . 0 0 "[ . 1 .]" 1
1011 1 70 ALA HA 1 71 ILE H 3.500 . 3.500 2.924 2.796 3.360 . 0 0 "[ . 1 .]" 1
1012 1 70 ALA MB 1 71 ILE H 5.000 . 5.000 3.617 3.208 3.688 . 0 0 "[ . 1 .]" 1
1013 1 71 ILE H 1 72 GLY H 5.000 . 5.000 2.734 2.506 2.900 . 0 0 "[ . 1 .]" 1
1014 1 71 ILE HB 1 72 GLY H 5.000 . 5.000 2.236 1.978 2.776 . 0 0 "[ . 1 .]" 1
1015 1 71 ILE MG 1 72 GLY H 5.000 . 5.000 3.364 3.121 3.832 . 0 0 "[ . 1 .]" 1
1016 1 71 ILE HA 1 73 GLN H 6.000 . 6.000 4.188 3.979 4.398 . 0 0 "[ . 1 .]" 1
1017 1 71 ILE HA 1 74 MET H 6.000 . 6.000 3.664 3.350 3.969 . 0 0 "[ . 1 .]" 1
1018 1 71 ILE HA 1 74 MET QG 5.000 . 5.000 4.643 3.812 5.006 0.006 1 0 "[ . 1 .]" 1
1019 1 71 ILE HA 1 74 MET ME 5.000 . 5.000 3.864 3.028 4.676 . 0 0 "[ . 1 .]" 1
1020 1 71 ILE MG 1 74 MET H 6.000 . 6.000 4.656 4.411 4.981 . 0 0 "[ . 1 .]" 1
1021 1 71 ILE MG 1 74 MET HB3 6.000 . 6.000 5.139 4.170 6.003 0.003 12 0 "[ . 1 .]" 1
1022 1 71 ILE MG 1 74 MET HB2 6.000 . 6.000 4.685 3.952 5.732 . 0 0 "[ . 1 .]" 1
1023 1 71 ILE MG 1 74 MET QG 6.000 . 6.000 5.679 5.173 6.008 0.008 10 0 "[ . 1 .]" 1
1024 1 71 ILE MG 1 74 MET ME 5.000 . 5.000 4.520 3.751 5.004 0.004 12 0 "[ . 1 .]" 1
1025 1 71 ILE MD 1 74 MET QG 6.000 . 6.000 5.107 4.173 5.586 . 0 0 "[ . 1 .]" 1
1026 1 71 ILE MD 1 74 MET ME 5.000 . 5.000 3.740 2.818 4.669 . 0 0 "[ . 1 .]" 1
1027 1 71 ILE MG 1 75 CYS H 6.000 . 6.000 4.330 3.958 4.787 . 0 0 "[ . 1 .]" 1
1028 1 71 ILE MG 1 75 CYS HB3 5.000 . 5.000 3.892 3.541 4.236 . 0 0 "[ . 1 .]" 1
1029 1 71 ILE MG 1 75 CYS HB2 5.000 . 5.000 4.753 4.481 5.004 0.004 11 0 "[ . 1 .]" 1
1030 1 71 ILE H 1 79 VAL MG1 6.000 . 6.000 5.634 5.264 5.965 . 0 0 "[ . 1 .]" 1
1031 1 71 ILE H 1 79 VAL MG2 5.000 . 5.000 4.964 4.693 5.035 0.035 6 0 "[ . 1 .]" 1
1032 1 71 ILE HA 1 79 VAL MG2 6.000 . 6.000 4.258 3.981 4.979 . 0 0 "[ . 1 .]" 1
1033 1 71 ILE HB 1 79 VAL HB 5.000 . 5.000 4.208 3.843 4.668 . 0 0 "[ . 1 .]" 1
1034 1 71 ILE HB 1 79 VAL MG1 5.000 . 5.000 3.485 2.945 3.857 . 0 0 "[ . 1 .]" 1
1035 1 71 ILE HB 1 79 VAL MG2 3.500 . 3.500 2.753 2.431 2.939 . 0 0 "[ . 1 .]" 1
1036 1 71 ILE HG13 1 79 VAL MG2 5.000 . 5.000 4.126 3.025 4.387 . 0 0 "[ . 1 .]" 1
1037 1 71 ILE HG12 1 79 VAL MG2 5.000 . 5.000 4.756 4.010 5.002 0.002 4 0 "[ . 1 .]" 1
1038 1 71 ILE MG 1 79 VAL HB 5.000 . 5.000 3.113 2.593 3.551 . 0 0 "[ . 1 .]" 1
1039 1 72 GLY H 1 73 GLN H 5.000 . 5.000 2.579 2.378 2.704 . 0 0 "[ . 1 .]" 1
1040 1 72 GLY HA3 1 73 GLN H 5.000 . 5.000 3.032 2.975 3.127 . 0 0 "[ . 1 .]" 1
1041 1 72 GLY HA2 1 73 GLN H 5.000 . 5.000 3.459 3.413 3.485 . 0 0 "[ . 1 .]" 1
1042 1 72 GLY HA3 1 75 CYS H 5.000 . 5.000 4.680 4.454 5.001 0.001 4 0 "[ . 1 .]" 1
1043 1 72 GLY HA2 1 75 CYS H 5.000 . 5.000 3.367 3.118 3.739 . 0 0 "[ . 1 .]" 1
1044 1 72 GLY H 1 79 VAL MG2 6.000 . 6.000 3.482 2.604 4.693 . 0 0 "[ . 1 .]" 1
1045 1 73 GLN H 1 74 MET H 3.500 . 3.500 2.413 2.206 2.554 . 0 0 "[ . 1 .]" 1
1046 1 73 GLN H 1 74 MET QG 6.000 . 6.000 5.082 4.069 6.013 0.013 6 0 "[ . 1 .]" 1
1047 1 73 GLN HG3 1 74 MET H 6.000 . 6.000 4.970 3.169 5.434 . 0 0 "[ . 1 .]" 1
1048 1 73 GLN H 1 75 CYS H 5.000 . 5.000 3.935 3.853 4.137 . 0 0 "[ . 1 .]" 1
1049 1 74 MET H 1 75 CYS H 3.500 . 3.500 2.215 2.198 2.297 . 0 0 "[ . 1 .]" 1
1050 1 74 MET HB3 1 75 CYS H 5.000 . 5.000 3.371 2.888 3.912 . 0 0 "[ . 1 .]" 1
1051 1 74 MET HB2 1 75 CYS H 5.000 . 5.000 3.244 2.731 4.107 . 0 0 "[ . 1 .]" 1
1052 1 74 MET QG 1 75 CYS H 6.000 . 6.000 4.333 3.870 4.562 . 0 0 "[ . 1 .]" 1
1053 1 75 CYS HA 1 76 GLU H 3.500 . 3.500 2.313 2.241 2.394 . 0 0 "[ . 1 .]" 1
1054 1 75 CYS HB3 1 76 GLU H 5.000 . 5.000 3.860 3.701 4.035 . 0 0 "[ . 1 .]" 1
1055 1 75 CYS HB2 1 76 GLU H 5.000 . 5.000 3.255 2.466 4.037 . 0 0 "[ . 1 .]" 1
1056 1 76 GLU H 1 77 ALA H 3.500 . 3.500 2.747 2.194 2.982 . 0 0 "[ . 1 .]" 1
1057 1 76 GLU H 1 77 ALA MB 5.000 . 5.000 3.701 3.502 3.899 . 0 0 "[ . 1 .]" 1
1058 1 76 GLU HA 1 77 ALA H 3.500 . 3.500 2.962 2.776 3.512 0.012 13 0 "[ . 1 .]" 1
1059 1 76 GLU HB3 1 77 ALA H 5.000 . 5.000 4.169 2.718 4.593 . 0 0 "[ . 1 .]" 1
1060 1 76 GLU HB2 1 77 ALA H 5.000 . 5.000 4.280 2.967 4.545 . 0 0 "[ . 1 .]" 1
1061 1 76 GLU QG 1 77 ALA H 5.000 . 5.000 4.295 3.613 4.807 . 0 0 "[ . 1 .]" 1
1062 1 77 ALA HA 1 78 PRO HG3 5.000 . 5.000 4.622 4.549 4.686 . 0 0 "[ . 1 .]" 1
1063 1 77 ALA HA 1 78 PRO HG2 5.000 . 5.000 4.731 4.547 4.875 . 0 0 "[ . 1 .]" 1
1064 1 77 ALA HA 1 78 PRO HD3 3.500 . 3.500 2.405 2.304 2.517 . 0 0 "[ . 1 .]" 1
1065 1 77 ALA HA 1 78 PRO HD2 3.500 . 3.500 2.679 2.415 2.932 . 0 0 "[ . 1 .]" 1
1066 1 77 ALA MB 1 78 PRO HD3 3.500 . 3.500 3.001 2.705 3.292 . 0 0 "[ . 1 .]" 1
1067 1 77 ALA MB 1 78 PRO HD2 5.000 . 5.000 1.949 1.895 2.078 . 0 0 "[ . 1 .]" 1
1068 1 78 PRO HA 1 79 VAL H 2.500 . 2.500 2.178 2.141 2.326 . 0 0 "[ . 1 .]" 1
1069 1 78 PRO HA 1 79 VAL MG2 6.000 . 12.000 3.433 3.154 4.094 . 0 0 "[ . 1 .]" 1
1070 1 78 PRO HB2 1 79 VAL H 5.000 . 5.000 3.509 2.753 3.904 . 0 0 "[ . 1 .]" 1
1071 1 78 PRO HB3 1 80 VAL MG1 6.000 . 6.000 4.471 4.342 4.704 . 0 0 "[ . 1 .]" 1
1072 1 78 PRO HB2 1 80 VAL MG1 5.000 . 5.000 3.094 2.962 3.293 . 0 0 "[ . 1 .]" 1
1073 1 78 PRO HB3 1 97 LEU MD1 6.000 . 6.000 4.778 4.350 5.378 . 0 0 "[ . 1 .]" 1
1074 1 78 PRO HB3 1 97 LEU MD2 5.000 . 5.000 3.369 3.202 3.569 . 0 0 "[ . 1 .]" 1
1075 1 78 PRO HG3 1 97 LEU HG 6.000 . 6.000 5.790 5.379 6.011 0.011 5 0 "[ . 1 .]" 1
1076 1 78 PRO HG3 1 97 LEU MD2 5.000 . 5.000 2.839 2.499 3.025 . 0 0 "[ . 1 .]" 1
1077 1 78 PRO HG2 1 97 LEU HG 6.000 . 6.000 5.236 4.917 5.476 . 0 0 "[ . 1 .]" 1
1078 1 78 PRO HG2 1 97 LEU MD2 5.000 . 5.000 2.298 1.964 2.615 . 0 0 "[ . 1 .]" 1
1079 1 78 PRO HA 1 101 LEU MD2 3.500 . 3.500 2.830 2.317 3.104 . 0 0 "[ . 1 .]" 1
1080 1 78 PRO HB3 1 101 LEU MD1 5.000 . 5.000 2.838 2.601 3.222 . 0 0 "[ . 1 .]" 1
1081 1 78 PRO HB3 1 101 LEU MD2 3.500 . 3.500 3.473 3.266 3.511 0.011 14 0 "[ . 1 .]" 1
1082 1 78 PRO HB2 1 101 LEU MD1 5.000 . 5.000 2.374 1.965 2.910 . 0 0 "[ . 1 .]" 1
1083 1 78 PRO HB2 1 101 LEU MD2 3.500 . 3.500 3.379 3.148 3.501 0.001 7 0 "[ . 1 .]" 1
1084 1 79 VAL HA 1 80 VAL H 2.500 . 2.500 2.186 2.157 2.234 . 0 0 "[ . 1 .]" 1
1085 1 79 VAL HA 1 80 VAL MG2 6.000 . 6.000 3.660 3.457 3.771 . 0 0 "[ . 1 .]" 1
1086 1 79 VAL HB 1 80 VAL H 5.000 . 5.000 3.977 3.317 4.159 . 0 0 "[ . 1 .]" 1
1087 1 79 VAL MG1 1 80 VAL H 6.000 . 6.000 2.621 2.085 4.210 . 0 0 "[ . 1 .]" 1
1088 1 79 VAL MG2 1 80 VAL H 6.000 . 6.000 4.185 3.731 4.395 . 0 0 "[ . 1 .]" 1
1089 1 79 VAL HB 1 102 ILE H 6.000 . 6.000 3.880 3.339 4.662 . 0 0 "[ . 1 .]" 1
1090 1 79 VAL MG1 1 102 ILE H 5.000 . 5.000 4.256 3.752 5.026 0.026 2 0 "[ . 1 .]" 1
1091 1 79 VAL MG2 1 102 ILE H 6.000 . 6.000 4.836 2.274 5.740 . 0 0 "[ . 1 .]" 1
1092 1 80 VAL HA 1 81 THR H 3.500 . 3.500 2.332 2.177 2.555 . 0 0 "[ . 1 .]" 1
1093 1 80 VAL HA 1 81 THR MG 6.000 . 6.000 3.526 3.373 3.622 . 0 0 "[ . 1 .]" 1
1094 1 80 VAL HB 1 81 THR H 3.500 . 3.500 2.658 2.062 3.176 . 0 0 "[ . 1 .]" 1
1095 1 80 VAL MG1 1 81 THR H 6.000 . 6.000 3.706 3.499 3.932 . 0 0 "[ . 1 .]" 1
1096 1 80 VAL MG2 1 81 THR H 6.000 . 6.000 3.630 3.162 4.088 . 0 0 "[ . 1 .]" 1
1097 1 80 VAL MG2 1 81 THR HA 6.000 . 6.000 4.387 4.050 4.773 . 0 0 "[ . 1 .]" 1
1098 1 80 VAL MG2 1 83 GLU H 6.000 . 6.000 5.396 5.222 5.837 . 0 0 "[ . 1 .]" 1
1099 1 80 VAL HB 1 84 TRP H 5.000 . 5.000 4.082 3.867 4.199 . 0 0 "[ . 1 .]" 1
1100 1 80 VAL MG1 1 84 TRP HB3 6.000 . 6.000 4.357 4.245 4.476 . 0 0 "[ . 1 .]" 1
1101 1 80 VAL MG1 1 84 TRP HB2 6.000 . 6.000 3.680 3.437 3.816 . 0 0 "[ . 1 .]" 1
1102 1 80 VAL MG2 1 84 TRP H 6.000 . 6.000 3.897 3.516 4.217 . 0 0 "[ . 1 .]" 1
1103 1 80 VAL MG2 1 84 TRP HB3 5.000 . 5.000 2.449 1.971 2.740 . 0 0 "[ . 1 .]" 1
1104 1 80 VAL MG2 1 84 TRP HB2 5.000 . 5.000 2.748 2.368 3.128 . 0 0 "[ . 1 .]" 1
1105 1 80 VAL MG2 1 84 TRP HE3 5.000 . 5.000 3.165 3.002 3.320 . 0 0 "[ . 1 .]" 1
1106 1 80 VAL MG2 1 84 TRP HZ3 6.000 . 6.000 4.526 4.324 4.656 . 0 0 "[ . 1 .]" 1
1107 1 80 VAL HA 1 97 LEU HG 6.000 . 6.000 5.870 5.529 6.005 0.005 7 0 "[ . 1 .]" 1
1108 1 80 VAL MG1 1 97 LEU HA 5.000 . 5.000 2.453 2.139 2.797 . 0 0 "[ . 1 .]" 1
1109 1 80 VAL MG1 1 97 LEU HB3 6.000 . 6.000 1.959 1.894 2.148 . 0 0 "[ . 1 .]" 1
1110 1 80 VAL MG1 1 97 LEU HB2 6.000 . 6.000 3.313 3.233 3.487 . 0 0 "[ . 1 .]" 1
1111 1 80 VAL MG1 1 97 LEU HG 5.000 . 5.000 2.316 2.260 2.395 . 0 0 "[ . 1 .]" 1
1112 1 80 VAL MG1 1 97 LEU MD1 6.000 . 6.000 3.556 3.525 3.626 . 0 0 "[ . 1 .]" 1
1113 1 80 VAL MG1 1 97 LEU MD2 5.000 . 5.000 1.824 1.786 1.888 . 0 0 "[ . 1 .]" 1
1114 1 80 VAL MG2 1 97 LEU HB3 6.000 . 6.000 3.767 3.523 4.014 . 0 0 "[ . 1 .]" 1
1115 1 80 VAL MG2 1 97 LEU HB2 6.000 . 6.000 4.767 4.452 5.066 . 0 0 "[ . 1 .]" 1
1116 1 80 VAL MG2 1 97 LEU HG 5.000 . 5.000 2.613 2.152 3.109 . 0 0 "[ . 1 .]" 1
1117 1 80 VAL MG2 1 97 LEU MD1 6.000 . 6.000 3.742 3.377 3.997 . 0 0 "[ . 1 .]" 1
1118 1 80 VAL HA 1 100 TYR HB3 5.000 . 5.000 4.526 4.280 4.719 . 0 0 "[ . 1 .]" 1
1119 1 80 VAL HA 1 100 TYR HB2 5.000 . 5.000 4.107 3.797 4.431 . 0 0 "[ . 1 .]" 1
1120 1 80 VAL HB 1 100 TYR HB3 3.500 . 3.500 3.421 3.213 3.512 0.012 8 0 "[ . 1 .]" 1
1121 1 80 VAL HB 1 100 TYR HB2 3.500 . 3.500 2.333 2.186 2.627 . 0 0 "[ . 1 .]" 1
1122 1 80 VAL HB 1 100 TYR QD 5.000 . 5.000 3.960 3.632 4.354 . 0 0 "[ . 1 .]" 1
1123 1 80 VAL MG1 1 100 TYR H 6.000 . 6.000 3.407 3.155 3.595 . 0 0 "[ . 1 .]" 1
1124 1 80 VAL MG1 1 100 TYR HB3 5.000 . 5.000 4.336 4.138 4.488 . 0 0 "[ . 1 .]" 1
1125 1 80 VAL MG1 1 100 TYR HB2 5.000 . 5.000 3.200 2.998 3.329 . 0 0 "[ . 1 .]" 1
1126 1 80 VAL MG1 1 100 TYR QD 6.000 . 6.000 4.080 3.821 4.317 . 0 0 "[ . 1 .]" 1
1127 1 80 VAL MG2 1 100 TYR H 6.000 . 6.000 5.280 5.090 5.628 . 0 0 "[ . 1 .]" 1
1128 1 80 VAL MG2 1 100 TYR HB3 6.000 . 6.000 4.655 4.434 4.902 . 0 0 "[ . 1 .]" 1
1129 1 80 VAL HA 1 101 LEU HA 3.500 . 3.500 2.167 2.120 2.198 . 0 0 "[ . 1 .]" 1
1130 1 80 VAL HA 1 101 LEU HB3 5.000 . 5.000 5.026 4.984 5.052 0.052 10 0 "[ . 1 .]" 1
1131 1 80 VAL MG1 1 101 LEU H 6.000 . 6.000 3.162 2.978 3.402 . 0 0 "[ . 1 .]" 1
1132 1 80 VAL MG1 1 101 LEU HA 5.000 . 5.000 1.926 1.903 1.945 . 0 0 "[ . 1 .]" 1
1133 1 80 VAL MG1 1 101 LEU MD2 6.000 . 6.000 3.160 3.082 3.205 . 0 0 "[ . 1 .]" 1
1134 1 80 VAL MG2 1 101 LEU H 6.000 . 6.000 5.659 5.539 5.892 . 0 0 "[ . 1 .]" 1
1135 1 80 VAL MG2 1 101 LEU HA 6.000 . 6.000 4.332 4.277 4.401 . 0 0 "[ . 1 .]" 1
1136 1 80 VAL MG2 1 101 LEU MD2 5.000 . 5.000 4.937 4.711 5.015 0.015 8 0 "[ . 1 .]" 1
1137 1 80 VAL HA 1 102 ILE H 5.000 . 5.000 3.101 2.241 4.154 . 0 0 "[ . 1 .]" 1
1138 1 80 VAL MG1 1 102 ILE H 6.000 . 6.000 3.732 3.592 3.990 . 0 0 "[ . 1 .]" 1
1139 1 80 VAL MG2 1 102 ILE H 6.000 . 6.000 5.508 5.038 6.007 0.007 1 0 "[ . 1 .]" 1
1140 1 81 THR HA 1 82 ARG H 3.500 . 3.500 2.443 2.348 2.776 . 0 0 "[ . 1 .]" 1
1141 1 81 THR HB 1 82 ARG H 5.000 . 5.000 2.514 2.101 2.652 . 0 0 "[ . 1 .]" 1
1142 1 81 THR MG 1 82 ARG H 5.000 . 5.000 3.937 3.711 4.035 . 0 0 "[ . 1 .]" 1
1143 1 81 THR HA 1 83 GLU H 5.000 . 5.000 4.066 4.006 4.365 . 0 0 "[ . 1 .]" 1
1144 1 81 THR HB 1 83 GLU H 3.500 . 3.500 3.064 2.962 3.187 . 0 0 "[ . 1 .]" 1
1145 1 81 THR MG 1 83 GLU H 6.000 . 6.000 4.114 4.012 4.184 . 0 0 "[ . 1 .]" 1
1146 1 81 THR HA 1 84 TRP H 6.000 . 6.000 5.185 5.067 5.420 . 0 0 "[ . 1 .]" 1
1147 1 81 THR MG 1 84 TRP H 5.000 . 5.000 4.988 4.890 5.022 0.022 13 0 "[ . 1 .]" 1
1148 1 81 THR H 1 100 TYR HB3 5.000 . 5.000 2.965 2.607 3.305 . 0 0 "[ . 1 .]" 1
1149 1 81 THR H 1 100 TYR HB2 3.500 . 3.500 3.348 3.027 3.529 0.029 8 0 "[ . 1 .]" 1
1150 1 81 THR MG 1 100 TYR H 6.000 . 6.000 5.552 5.266 5.737 . 0 0 "[ . 1 .]" 1
1151 1 81 THR MG 1 100 TYR HA 6.000 . 6.000 3.499 3.180 3.712 . 0 0 "[ . 1 .]" 1
1152 1 81 THR MG 1 100 TYR HB3 6.000 . 6.000 3.004 2.725 3.306 . 0 0 "[ . 1 .]" 1
1153 1 81 THR MG 1 100 TYR HB2 5.000 . 5.000 4.125 3.899 4.362 . 0 0 "[ . 1 .]" 1
1154 1 81 THR MG 1 100 TYR QD 6.000 . 6.000 4.275 3.963 4.568 . 0 0 "[ . 1 .]" 1
1155 1 81 THR MG 1 101 LEU HA 6.000 . 6.000 4.433 4.314 4.523 . 0 0 "[ . 1 .]" 1
1156 1 81 THR MG 1 102 ILE H 6.000 . 6.000 4.448 3.211 5.587 . 0 0 "[ . 1 .]" 1
1157 1 81 THR MG 1 102 ILE HA 6.000 . 6.000 4.468 3.458 5.619 . 0 0 "[ . 1 .]" 1
1158 1 82 ARG H 1 83 GLU H 3.500 . 3.500 2.713 2.321 2.809 . 0 0 "[ . 1 .]" 1
1159 1 82 ARG HA 1 83 GLU H 3.500 . 3.500 3.432 3.374 3.464 . 0 0 "[ . 1 .]" 1
1160 1 82 ARG HB3 1 83 GLU H 5.000 . 5.000 4.352 4.253 4.484 . 0 0 "[ . 1 .]" 1
1161 1 82 ARG HB2 1 83 GLU H 5.000 . 5.000 3.817 3.255 3.970 . 0 0 "[ . 1 .]" 1
1162 1 82 ARG HG2 1 83 GLU H 5.000 . 5.000 4.256 3.686 4.737 . 0 0 "[ . 1 .]" 1
1163 1 82 ARG HA 1 85 VAL H 3.500 . 3.500 3.239 3.155 3.405 . 0 0 "[ . 1 .]" 1
1164 1 82 ARG HA 1 85 VAL MG1 5.000 . 5.000 4.435 4.322 4.877 . 0 0 "[ . 1 .]" 1
1165 1 82 ARG HA 1 85 VAL MG2 5.000 . 5.000 2.789 2.637 3.011 . 0 0 "[ . 1 .]" 1
1166 1 82 ARG HB3 1 85 VAL MG1 5.000 . 5.000 5.001 4.847 5.022 0.022 2 0 "[ . 1 .]" 1
1167 1 83 GLU H 1 84 TRP H 3.500 . 3.500 2.848 2.716 2.895 . 0 0 "[ . 1 .]" 1
1168 1 83 GLU H 1 84 TRP HB2 6.000 . 6.000 5.219 5.052 5.277 . 0 0 "[ . 1 .]" 1
1169 1 83 GLU HA 1 84 TRP H 5.000 . 5.000 3.532 3.507 3.555 . 0 0 "[ . 1 .]" 1
1170 1 83 GLU HB3 1 84 TRP H 3.500 . 3.500 3.150 2.694 3.503 0.003 15 0 "[ . 1 .]" 1
1171 1 83 GLU HB2 1 84 TRP H 3.500 . 3.500 2.981 2.685 3.484 . 0 0 "[ . 1 .]" 1
1172 1 83 GLU HA 1 86 LEU H 3.500 . 3.500 3.519 3.513 3.527 0.027 6 0 "[ . 1 .]" 1
1173 1 83 GLU HA 1 86 LEU HB3 3.500 . 3.500 3.205 2.920 3.504 0.004 6 0 "[ . 1 .]" 1
1174 1 83 GLU HA 1 86 LEU HB2 3.500 . 3.500 2.974 2.669 3.348 . 0 0 "[ . 1 .]" 1
1175 1 83 GLU H 1 87 ASP H 6.000 . 6.000 5.660 5.556 5.751 . 0 0 "[ . 1 .]" 1
1176 1 83 GLU HA 1 87 ASP H 5.000 . 5.000 3.485 3.305 3.591 . 0 0 "[ . 1 .]" 1
1177 1 83 GLU HA 1 88 SER H 6.000 . 6.000 5.946 5.751 6.015 0.015 12 0 "[ . 1 .]" 1
1178 1 83 GLU HB3 1 100 TYR QD 5.000 . 5.000 2.943 2.489 3.392 . 0 0 "[ . 1 .]" 1
1179 1 83 GLU HB3 1 100 TYR QE 5.000 . 5.000 3.225 2.688 3.637 . 0 0 "[ . 1 .]" 1
1180 1 83 GLU HB2 1 100 TYR QD 5.000 . 5.000 3.165 2.605 3.737 . 0 0 "[ . 1 .]" 1
1181 1 83 GLU HB2 1 100 TYR QE 5.000 . 5.000 4.308 3.769 4.880 . 0 0 "[ . 1 .]" 1
1182 1 83 GLU HG3 1 100 TYR QE 6.000 . 6.000 4.699 3.634 5.669 . 0 0 "[ . 1 .]" 1
1183 1 83 GLU HG2 1 100 TYR QE 6.000 . 6.000 4.027 2.489 5.377 . 0 0 "[ . 1 .]" 1
1184 1 84 TRP H 1 85 VAL H 3.500 . 3.500 2.796 2.720 2.900 . 0 0 "[ . 1 .]" 1
1185 1 84 TRP H 1 85 VAL HB 5.000 . 5.000 4.908 4.810 5.005 0.005 4 0 "[ . 1 .]" 1
1186 1 84 TRP H 1 85 VAL MG2 6.000 . 6.000 4.137 4.039 4.257 . 0 0 "[ . 1 .]" 1
1187 1 84 TRP HA 1 85 VAL H 3.500 . 3.500 3.526 3.523 3.529 0.029 4 0 "[ . 1 .]" 1
1188 1 84 TRP HB3 1 85 VAL H 5.000 . 5.000 2.138 2.135 2.142 . 0 0 "[ . 1 .]" 1
1189 1 84 TRP HB2 1 85 VAL H 3.500 . 3.500 3.587 3.578 3.600 0.100 14 0 "[ . 1 .]" 1
1190 1 84 TRP HE3 1 85 VAL HA 5.000 . 5.000 3.020 2.799 3.226 . 0 0 "[ . 1 .]" 1
1191 1 84 TRP HE3 1 85 VAL MG1 6.000 . 6.000 4.070 3.919 4.244 . 0 0 "[ . 1 .]" 1
1192 1 84 TRP HE3 1 85 VAL MG2 3.500 . 3.500 1.896 1.820 1.993 . 0 0 "[ . 1 .]" 1
1193 1 84 TRP HH2 1 85 VAL MG2 6.000 . 6.000 4.634 4.413 4.775 . 0 0 "[ . 1 .]" 1
1194 1 84 TRP HZ3 1 85 VAL H 5.000 . 5.000 4.936 4.839 5.010 0.010 4 0 "[ . 1 .]" 1
1195 1 84 TRP HZ3 1 85 VAL HA 6.000 . 6.000 3.917 3.655 4.142 . 0 0 "[ . 1 .]" 1
1196 1 84 TRP HZ3 1 85 VAL MG1 6.000 . 6.000 4.207 3.979 4.445 . 0 0 "[ . 1 .]" 1
1197 1 84 TRP HZ3 1 85 VAL MG2 5.000 . 5.000 2.573 2.399 2.719 . 0 0 "[ . 1 .]" 1
1198 1 84 TRP H 1 86 LEU H 5.000 . 5.000 4.055 3.907 4.268 . 0 0 "[ . 1 .]" 1
1199 1 84 TRP H 1 87 ASP HB3 5.000 . 5.000 5.007 5.001 5.015 0.015 11 0 "[ . 1 .]" 1
1200 1 84 TRP HA 1 87 ASP H 5.000 . 5.000 3.759 3.609 3.928 . 0 0 "[ . 1 .]" 1
1201 1 84 TRP HB2 1 87 ASP H 6.000 . 6.000 5.873 5.747 6.004 0.004 14 0 "[ . 1 .]" 1
1202 1 84 TRP HA 1 88 SER H 6.000 . 6.000 3.901 3.761 4.071 . 0 0 "[ . 1 .]" 1
1203 1 84 TRP HD1 1 95 GLN H 5.000 . 5.000 4.559 4.419 4.749 . 0 0 "[ . 1 .]" 1
1204 1 84 TRP HD1 1 95 GLN HA 6.000 . 6.000 5.015 4.599 5.193 . 0 0 "[ . 1 .]" 1
1205 1 84 TRP HD1 1 95 GLN HB3 5.000 . 5.000 3.596 2.247 4.020 . 0 0 "[ . 1 .]" 1
1206 1 84 TRP HD1 1 95 GLN HB2 3.500 . 3.500 2.796 2.567 3.485 . 0 0 "[ . 1 .]" 1
1207 1 84 TRP HD1 1 95 GLN HG3 6.000 . 6.000 4.874 4.229 5.494 . 0 0 "[ . 1 .]" 1
1208 1 84 TRP HD1 1 95 GLN HG2 5.000 . 5.000 4.998 4.934 5.008 0.008 8 0 "[ . 1 .]" 1
1209 1 84 TRP HE1 1 95 GLN H 5.000 . 5.000 3.483 3.320 3.746 . 0 0 "[ . 1 .]" 1
1210 1 84 TRP HE1 1 95 GLN HB3 5.000 . 5.000 4.397 3.386 4.774 . 0 0 "[ . 1 .]" 1
1211 1 84 TRP HE1 1 95 GLN HB2 5.000 . 5.000 3.359 3.127 3.887 . 0 0 "[ . 1 .]" 1
1212 1 84 TRP HD1 1 97 LEU HA 5.000 . 5.000 2.914 2.682 3.209 . 0 0 "[ . 1 .]" 1
1213 1 84 TRP HD1 1 97 LEU MD1 6.000 . 6.000 3.786 3.349 4.164 . 0 0 "[ . 1 .]" 1
1214 1 84 TRP HD1 1 97 LEU MD2 6.000 . 6.000 4.864 4.617 5.051 . 0 0 "[ . 1 .]" 1
1215 1 84 TRP HE1 1 97 LEU HA 5.000 . 5.000 4.045 3.684 4.292 . 0 0 "[ . 1 .]" 1
1216 1 84 TRP HE1 1 97 LEU HG 5.000 . 5.000 3.457 3.242 3.769 . 0 0 "[ . 1 .]" 1
1217 1 84 TRP HE1 1 97 LEU MD1 5.000 . 5.000 2.510 2.036 2.943 . 0 0 "[ . 1 .]" 1
1218 1 84 TRP HE1 1 97 LEU MD2 6.000 . 6.000 4.608 4.341 4.863 . 0 0 "[ . 1 .]" 1
1219 1 84 TRP HZ2 1 97 LEU MD1 6.000 . 6.000 2.843 2.603 3.120 . 0 0 "[ . 1 .]" 1
1220 1 84 TRP HZ3 1 97 LEU MD2 5.000 . 5.000 4.991 4.824 5.019 0.019 3 0 "[ . 1 .]" 1
1221 1 84 TRP H 1 100 TYR HB3 5.000 . 5.000 3.485 3.277 3.822 . 0 0 "[ . 1 .]" 1
1222 1 84 TRP H 1 100 TYR HB2 3.500 . 3.500 3.485 3.388 3.516 0.016 7 0 "[ . 1 .]" 1
1223 1 84 TRP H 1 100 TYR QD 5.000 . 5.000 3.719 3.191 4.060 . 0 0 "[ . 1 .]" 1
1224 1 84 TRP HA 1 100 TYR QD 6.000 . 6.000 2.912 2.387 3.574 . 0 0 "[ . 1 .]" 1
1225 1 84 TRP HA 1 100 TYR QE 5.000 . 5.000 3.028 2.413 3.621 . 0 0 "[ . 1 .]" 1
1226 1 84 TRP HB2 1 100 TYR HB2 3.500 . 3.500 2.598 2.290 2.779 . 0 0 "[ . 1 .]" 1
1227 1 84 TRP HB2 1 100 TYR QD 3.500 . 3.500 2.409 1.965 2.980 . 0 0 "[ . 1 .]" 1
1228 1 84 TRP HB2 1 100 TYR QE 5.000 . 5.000 4.192 3.911 4.435 . 0 0 "[ . 1 .]" 1
1229 1 84 TRP HD1 1 100 TYR HB3 6.000 . 6.000 5.804 5.391 6.004 0.004 9 0 "[ . 1 .]" 1
1230 1 84 TRP HD1 1 100 TYR HB2 6.000 . 6.000 4.343 3.936 4.551 . 0 0 "[ . 1 .]" 1
1231 1 84 TRP HD1 1 100 TYR QD 3.500 . 3.500 2.538 2.136 2.789 . 0 0 "[ . 1 .]" 1
1232 1 84 TRP HD1 1 100 TYR QE 3.500 . 3.500 3.170 2.856 3.466 . 0 0 "[ . 1 .]" 1
1233 1 85 VAL H 1 86 LEU H 3.500 . 3.500 2.799 2.751 2.859 . 0 0 "[ . 1 .]" 1
1234 1 85 VAL H 1 86 LEU HB2 6.000 . 6.000 4.729 4.634 4.879 . 0 0 "[ . 1 .]" 1
1235 1 85 VAL HA 1 86 LEU H 3.500 . 3.500 3.537 3.522 3.549 0.049 11 0 "[ . 1 .]" 1
1236 1 85 VAL HB 1 86 LEU H 5.000 . 10.000 2.571 2.428 2.722 . 0 0 "[ . 1 .]" 1
1237 1 85 VAL MG1 1 86 LEU H 5.000 . 5.000 3.488 3.311 3.617 . 0 0 "[ . 1 .]" 1
1238 1 85 VAL MG2 1 86 LEU H 6.000 . 6.000 3.778 3.675 3.850 . 0 0 "[ . 1 .]" 1
1239 1 85 VAL MG1 1 87 ASP H 6.000 . 6.000 5.319 5.151 5.455 . 0 0 "[ . 1 .]" 1
1240 1 85 VAL HA 1 88 SER H 5.000 . 5.000 3.729 3.557 3.859 . 0 0 "[ . 1 .]" 1
1241 1 85 VAL HA 1 88 SER HB3 5.000 . 5.000 4.363 4.020 4.647 . 0 0 "[ . 1 .]" 1
1242 1 85 VAL HA 1 88 SER HB2 5.000 . 5.000 2.769 2.528 3.002 . 0 0 "[ . 1 .]" 1
1243 1 85 VAL HA 1 89 VAL H 5.000 . 5.000 3.814 3.661 3.991 . 0 0 "[ . 1 .]" 1
1244 1 85 VAL MG1 1 89 VAL H 6.000 . 6.000 3.945 3.804 4.062 . 0 0 "[ . 1 .]" 1
1245 1 86 LEU H 1 87 ASP H 3.500 . 3.500 2.673 2.545 2.798 . 0 0 "[ . 1 .]" 1
1246 1 86 LEU HA 1 87 ASP H 5.000 . 5.000 3.558 3.544 3.568 . 0 0 "[ . 1 .]" 1
1247 1 86 LEU HB3 1 87 ASP H 3.500 . 3.500 2.508 2.279 2.861 . 0 0 "[ . 1 .]" 1
1248 1 86 LEU HB2 1 87 ASP H 5.000 . 5.000 3.198 2.899 3.508 . 0 0 "[ . 1 .]" 1
1249 1 86 LEU HA 1 89 VAL H 3.500 . 3.500 3.513 3.505 3.522 0.022 6 0 "[ . 1 .]" 1
1250 1 86 LEU HA 1 89 VAL HB 3.500 . 3.500 2.977 2.821 3.109 . 0 0 "[ . 1 .]" 1
1251 1 86 LEU HA 1 90 ALA H 5.000 . 5.000 3.725 3.622 3.803 . 0 0 "[ . 1 .]" 1
1252 1 86 LEU HB3 1 90 ALA H 6.000 . 6.000 5.108 4.975 5.226 . 0 0 "[ . 1 .]" 1
1253 1 86 LEU HB2 1 90 ALA H 6.000 . 6.000 5.958 5.875 6.010 0.010 4 0 "[ . 1 .]" 1
1254 1 87 ASP H 1 88 SER H 3.500 . 3.500 2.666 2.595 2.711 . 0 0 "[ . 1 .]" 1
1255 1 87 ASP HA 1 88 SER H 5.000 . 5.000 3.497 3.487 3.518 . 0 0 "[ . 1 .]" 1
1256 1 87 ASP HA 1 90 ALA H 5.000 . 5.000 3.679 3.646 3.710 . 0 0 "[ . 1 .]" 1
1257 1 87 ASP HA 1 90 ALA MB 3.500 . 3.500 2.567 2.463 2.711 . 0 0 "[ . 1 .]" 1
1258 1 88 SER H 1 89 VAL H 3.500 . 3.500 2.560 2.520 2.585 . 0 0 "[ . 1 .]" 1
1259 1 88 SER HB3 1 89 VAL H 5.000 . 5.000 3.489 3.305 3.683 . 0 0 "[ . 1 .]" 1
1260 1 88 SER HB2 1 89 VAL H 5.000 . 5.000 2.488 2.430 2.551 . 0 0 "[ . 1 .]" 1
1261 1 88 SER HA 1 91 LEU H 5.000 . 5.000 3.994 3.833 4.062 . 0 0 "[ . 1 .]" 1
1262 1 88 SER HA 1 91 LEU HB3 5.000 . 5.000 4.123 3.953 4.232 . 0 0 "[ . 1 .]" 1
1263 1 88 SER HA 1 93 GLN H 3.500 . 3.500 2.836 2.712 3.004 . 0 0 "[ . 1 .]" 1
1264 1 88 SER HA 1 94 CYS HA 5.000 . 5.000 4.637 4.504 4.861 . 0 0 "[ . 1 .]" 1
1265 1 88 SER HB2 1 94 CYS HA 5.000 . 5.000 4.794 4.370 5.003 0.003 14 0 "[ . 1 .]" 1
1266 1 88 SER HA 1 95 GLN H 3.500 . 3.500 3.473 3.350 3.507 0.007 12 0 "[ . 1 .]" 1
1267 1 88 SER HA 1 95 GLN HG3 5.000 . 5.000 3.459 2.790 5.002 0.002 8 0 "[ . 1 .]" 1
1268 1 88 SER HA 1 95 GLN HG2 5.000 . 5.000 2.563 1.997 3.935 . 0 0 "[ . 1 .]" 1
1269 1 88 SER HA 1 95 GLN HE21 6.000 . 6.000 4.691 2.344 5.769 . 0 0 "[ . 1 .]" 1
1270 1 88 SER HB3 1 95 GLN H 5.000 . 5.000 3.391 3.094 3.701 . 0 0 "[ . 1 .]" 1
1271 1 88 SER HB2 1 95 GLN H 5.000 . 5.000 4.339 4.076 4.689 . 0 0 "[ . 1 .]" 1
1272 1 89 VAL H 1 90 ALA H 3.500 . 3.500 2.535 2.531 2.547 . 0 0 "[ . 1 .]" 1
1273 1 89 VAL H 1 90 ALA MB 6.000 . 6.000 4.207 4.158 4.230 . 0 0 "[ . 1 .]" 1
1274 1 89 VAL HA 1 90 ALA H 5.000 . 5.000 3.481 3.470 3.499 . 0 0 "[ . 1 .]" 1
1275 1 89 VAL HB 1 90 ALA H 3.500 . 3.500 2.946 2.857 3.009 . 0 0 "[ . 1 .]" 1
1276 1 89 VAL MG1 1 90 ALA H 5.000 . 5.000 3.786 3.727 3.848 . 0 0 "[ . 1 .]" 1
1277 1 89 VAL MG2 1 90 ALA H 5.000 . 5.000 3.900 3.853 3.977 . 0 0 "[ . 1 .]" 1
1278 1 89 VAL HA 1 92 TYR HA 3.500 . 3.500 3.175 3.062 3.326 . 0 0 "[ . 1 .]" 1
1279 1 89 VAL MG1 1 92 TYR QE 6.000 . 6.000 4.461 3.996 5.828 . 0 0 "[ . 1 .]" 1
1280 1 90 ALA H 1 91 LEU H 3.500 . 3.500 2.758 2.643 2.817 . 0 0 "[ . 1 .]" 1
1281 1 90 ALA H 1 91 LEU HB3 5.000 . 5.000 5.010 5.004 5.022 0.022 10 0 "[ . 1 .]" 1
1282 1 90 ALA HA 1 91 LEU H 5.000 . 5.000 3.567 3.564 3.571 . 0 0 "[ . 1 .]" 1
1283 1 90 ALA MB 1 91 LEU H 3.500 . 3.500 2.264 2.151 2.390 . 0 0 "[ . 1 .]" 1
1284 1 90 ALA H 1 92 TYR H 5.000 . 5.000 3.488 3.446 3.542 . 0 0 "[ . 1 .]" 1
1285 1 90 ALA MB 1 92 TYR H 6.000 . 6.000 4.014 3.962 4.064 . 0 0 "[ . 1 .]" 1
1286 1 91 LEU H 1 92 TYR H 2.500 . 2.500 2.343 2.300 2.392 . 0 0 "[ . 1 .]" 1
1287 1 91 LEU HA 1 92 TYR H 3.500 . 3.500 3.350 3.246 3.431 . 0 0 "[ . 1 .]" 1
1288 1 91 LEU MD1 1 92 TYR H 6.000 . 6.000 4.984 4.600 5.388 . 0 0 "[ . 1 .]" 1
1289 1 91 LEU MD2 1 92 TYR H 6.000 . 6.000 4.442 3.690 4.971 . 0 0 "[ . 1 .]" 1
1290 1 91 LEU H 1 93 GLN H 5.000 . 5.000 4.745 4.564 4.865 . 0 0 "[ . 1 .]" 1
1291 1 91 LEU MD2 1 95 GLN HE21 5.000 . 5.000 4.189 3.240 4.997 . 0 0 "[ . 1 .]" 1
1292 1 91 LEU MD2 1 95 GLN HE22 5.000 . 5.000 3.333 2.398 4.500 . 0 0 "[ . 1 .]" 1
1293 1 92 TYR H 1 93 GLN H 3.500 . 3.500 3.155 3.004 3.323 . 0 0 "[ . 1 .]" 1
1294 1 92 TYR HA 1 93 GLN H 3.500 . 3.500 2.330 2.294 2.362 . 0 0 "[ . 1 .]" 1
1295 1 92 TYR HB3 1 93 GLN H 5.000 . 5.000 4.248 4.184 4.451 . 0 0 "[ . 1 .]" 1
1296 1 93 GLN H 1 94 CYS H 6.000 . 6.000 4.053 3.952 4.149 . 0 0 "[ . 1 .]" 1
1297 1 93 GLN HA 1 94 CYS H 3.500 . 3.500 2.175 2.148 2.216 . 0 0 "[ . 1 .]" 1
1298 1 93 GLN HB3 1 94 CYS H 5.000 . 5.000 3.822 3.565 4.134 . 0 0 "[ . 1 .]" 1
1299 1 93 GLN HB2 1 94 CYS H 5.000 . 5.000 4.320 4.098 4.480 . 0 0 "[ . 1 .]" 1
1300 1 93 GLN HG3 1 94 CYS H 5.000 . 5.000 3.373 2.289 4.687 . 0 0 "[ . 1 .]" 1
1301 1 93 GLN HG2 1 94 CYS H 5.000 . 5.000 3.403 2.683 4.417 . 0 0 "[ . 1 .]" 1
1302 1 94 CYS HA 1 95 GLN H 2.500 . 2.500 2.293 2.204 2.387 . 0 0 "[ . 1 .]" 1
1303 1 95 GLN HA 1 96 GLU H 2.500 . 2.500 2.429 2.353 2.507 0.007 7 0 "[ . 1 .]" 1
1304 1 95 GLN HB3 1 96 GLU H 3.500 . 3.500 2.439 2.239 2.722 . 0 0 "[ . 1 .]" 1
1305 1 95 GLN HB2 1 96 GLU H 5.000 . 5.000 3.521 3.281 4.033 . 0 0 "[ . 1 .]" 1
1306 1 95 GLN HG2 1 96 GLU H 5.000 . 5.000 4.781 4.257 5.000 . 0 0 "[ . 1 .]" 1
1307 1 95 GLN HA 1 100 TYR QE 6.000 . 6.000 5.202 4.865 5.645 . 0 0 "[ . 1 .]" 1
1308 1 95 GLN HB3 1 100 TYR QE 5.000 . 5.000 2.887 2.513 3.350 . 0 0 "[ . 1 .]" 1
1309 1 95 GLN HB2 1 100 TYR QE 5.000 . 5.000 3.234 2.734 3.812 . 0 0 "[ . 1 .]" 1
1310 1 95 GLN HG3 1 100 TYR QE 5.000 . 5.000 3.847 2.922 4.343 . 0 0 "[ . 1 .]" 1
1311 1 95 GLN HE21 1 100 TYR QE 5.000 . 5.000 4.436 3.665 5.001 0.001 8 0 "[ . 1 .]" 1
1312 1 96 GLU H 1 97 LEU H 5.000 . 5.000 4.575 4.399 4.639 . 0 0 "[ . 1 .]" 1
1313 1 96 GLU HA 1 97 LEU H 3.500 . 3.500 2.225 2.130 2.344 . 0 0 "[ . 1 .]" 1
1314 1 96 GLU HA 1 97 LEU MD1 6.000 . 6.000 3.386 3.198 3.533 . 0 0 "[ . 1 .]" 1
1315 1 96 GLU HB3 1 97 LEU H 5.000 . 5.000 3.743 2.646 4.267 . 0 0 "[ . 1 .]" 1
1316 1 96 GLU HB2 1 97 LEU H 3.500 . 3.500 3.163 2.687 3.505 0.005 10 0 "[ . 1 .]" 1
1317 1 96 GLU HB3 1 98 ASP H 5.000 . 5.000 4.251 2.904 4.810 . 0 0 "[ . 1 .]" 1
1318 1 96 GLU HB2 1 98 ASP H 3.500 . 3.500 3.057 2.743 3.510 0.010 13 0 "[ . 1 .]" 1
1319 1 96 GLU H 1 100 TYR QE 6.000 . 6.000 4.213 3.702 5.058 . 0 0 "[ . 1 .]" 1
1320 1 97 LEU H 1 98 ASP H 3.500 . 3.500 2.359 2.097 2.678 . 0 0 "[ . 1 .]" 1
1321 1 97 LEU HA 1 98 ASP H 3.500 . 3.500 3.485 3.433 3.511 0.011 10 0 "[ . 1 .]" 1
1322 1 97 LEU HB3 1 98 ASP H 5.000 . 5.000 3.561 3.436 3.749 . 0 0 "[ . 1 .]" 1
1323 1 97 LEU HB2 1 98 ASP H 5.000 . 5.000 2.987 2.857 3.202 . 0 0 "[ . 1 .]" 1
1324 1 97 LEU HG 1 98 ASP H 5.000 . 5.000 5.009 4.966 5.027 0.027 7 0 "[ . 1 .]" 1
1325 1 97 LEU MD1 1 98 ASP H 6.000 . 6.000 4.211 4.057 4.414 . 0 0 "[ . 1 .]" 1
1326 1 97 LEU MD2 1 98 ASP H 6.000 . 6.000 4.975 4.892 5.134 . 0 0 "[ . 1 .]" 1
1327 1 97 LEU H 1 99 THR H 5.000 . 5.000 4.058 3.809 4.295 . 0 0 "[ . 1 .]" 1
1328 1 97 LEU HA 1 100 TYR H 5.000 . 5.000 3.378 3.239 3.507 . 0 0 "[ . 1 .]" 1
1329 1 97 LEU HA 1 100 TYR QD 5.000 . 5.000 3.140 2.858 3.451 . 0 0 "[ . 1 .]" 1
1330 1 97 LEU HA 1 100 TYR QE 5.000 . 5.000 4.879 4.546 5.006 0.006 2 0 "[ . 1 .]" 1
1331 1 97 LEU MD1 1 100 TYR QD 6.000 . 6.000 5.293 4.835 5.599 . 0 0 "[ . 1 .]" 1
1332 1 97 LEU HB3 1 101 LEU MD1 6.000 . 6.000 1.959 1.832 2.250 . 0 0 "[ . 1 .]" 1
1333 1 97 LEU HB2 1 101 LEU MD1 6.000 . 6.000 2.783 2.522 2.937 . 0 0 "[ . 1 .]" 1
1334 1 97 LEU HG 1 101 LEU HA 6.000 . 6.000 5.982 5.937 6.013 0.013 3 0 "[ . 1 .]" 1
1335 1 97 LEU HG 1 101 LEU MD1 6.000 . 6.000 4.225 4.037 4.551 . 0 0 "[ . 1 .]" 1
1336 1 98 ASP H 1 99 THR H 3.500 . 3.500 2.713 2.559 2.766 . 0 0 "[ . 1 .]" 1
1337 1 98 ASP HA 1 99 THR H 3.500 . 3.500 3.467 3.441 3.500 . 0 0 "[ . 1 .]" 1
1338 1 98 ASP QB 1 99 THR H 3.500 . 3.500 2.989 2.769 3.505 0.005 9 0 "[ . 1 .]" 1
1339 1 98 ASP HA 1 100 TYR H 5.000 . 5.000 3.832 3.733 3.982 . 0 0 "[ . 1 .]" 1
1340 1 98 ASP H 1 101 LEU MD1 5.000 . 5.000 3.126 3.003 3.288 . 0 0 "[ . 1 .]" 1
1341 1 98 ASP HA 1 101 LEU H 5.000 . 5.000 3.332 3.147 3.568 . 0 0 "[ . 1 .]" 1
1342 1 98 ASP HA 1 101 LEU HB3 3.500 . 3.500 3.286 3.030 3.503 0.003 4 0 "[ . 1 .]" 1
1343 1 98 ASP HA 1 101 LEU HB2 5.000 . 5.000 2.079 1.971 2.285 . 0 0 "[ . 1 .]" 1
1344 1 98 ASP HA 1 101 LEU MD1 3.500 . 3.500 2.298 2.042 2.564 . 0 0 "[ . 1 .]" 1
1345 1 98 ASP HA 1 101 LEU MD2 5.000 . 5.000 4.209 4.104 4.307 . 0 0 "[ . 1 .]" 1
1346 1 99 THR H 1 100 TYR H 3.500 . 3.500 2.497 2.424 2.557 . 0 0 "[ . 1 .]" 1
1347 1 99 THR H 1 100 TYR QD 6.000 . 6.000 4.238 3.614 4.783 . 0 0 "[ . 1 .]" 1
1348 1 99 THR HA 1 100 TYR H 5.000 . 5.000 3.421 3.364 3.465 . 0 0 "[ . 1 .]" 1
1349 1 99 THR HB 1 100 TYR H 5.000 . 5.000 3.398 3.064 4.097 . 0 0 "[ . 1 .]" 1
1350 1 99 THR MG 1 100 TYR H 6.000 . 6.000 3.917 2.450 4.370 . 0 0 "[ . 1 .]" 1
1351 1 99 THR H 1 101 LEU H 5.000 . 5.000 4.031 3.812 4.245 . 0 0 "[ . 1 .]" 1
1352 1 99 THR MG 1 101 LEU H 6.000 . 6.000 5.180 4.247 5.538 . 0 0 "[ . 1 .]" 1
1353 1 100 TYR H 1 101 LEU H 3.500 . 3.500 2.219 2.020 2.413 . 0 0 "[ . 1 .]" 1
1354 1 100 TYR H 1 101 LEU HB3 5.000 . 5.000 5.012 5.007 5.016 0.016 13 0 "[ . 1 .]" 1
1355 1 100 TYR H 1 101 LEU HB2 5.000 . 5.000 3.529 3.479 3.627 . 0 0 "[ . 1 .]" 1
1356 1 100 TYR H 1 101 LEU MD1 6.000 . 6.000 4.270 3.978 4.577 . 0 0 "[ . 1 .]" 1
1357 1 100 TYR HA 1 101 LEU H 5.000 . 5.000 2.994 2.891 3.117 . 0 0 "[ . 1 .]" 1
1358 1 100 TYR HB3 1 101 LEU H 5.000 . 5.000 4.538 4.514 4.566 . 0 0 "[ . 1 .]" 1
1359 1 101 LEU H 1 102 ILE H 6.000 . 6.000 4.427 4.062 4.598 . 0 0 "[ . 1 .]" 1
1360 1 101 LEU HA 1 102 ILE H 3.500 . 3.500 2.304 2.145 2.530 . 0 0 "[ . 1 .]" 1
1361 1 101 LEU HB3 1 102 ILE H 5.000 . 5.000 3.414 2.624 4.236 . 0 0 "[ . 1 .]" 1
1362 1 101 LEU HB2 1 102 ILE H 5.000 . 5.000 4.296 3.851 4.661 . 0 0 "[ . 1 .]" 1
1363 1 101 LEU MD1 1 102 ILE H 6.000 . 6.000 4.656 4.038 5.304 . 0 0 "[ . 1 .]" 1
1364 1 101 LEU MD2 1 102 ILE H 5.000 . 5.000 2.695 1.883 4.004 . 0 0 "[ . 1 .]" 1
1365 1 102 ILE HA 1 103 PRO HD3 2.500 . 2.500 2.351 1.980 2.520 0.020 11 0 "[ . 1 .]" 1
1366 1 102 ILE HA 1 103 PRO HD2 3.500 . 3.500 2.211 1.965 2.511 . 0 0 "[ . 1 .]" 1
1367 1 103 PRO HA 1 104 GLN H 3.500 . 3.500 2.788 2.451 3.551 0.051 1 0 "[ . 1 .]" 1
1368 1 103 PRO HB3 1 104 GLN H 3.500 . 3.500 3.237 2.449 3.511 0.011 14 0 "[ . 1 .]" 1
1369 1 103 PRO HG3 1 104 GLN H 5.000 . 5.000 4.528 3.423 5.003 0.003 8 0 "[ . 1 .]" 1
1370 1 103 PRO HG2 1 104 GLN HA 6.000 . 6.000 4.973 4.287 6.022 0.022 6 0 "[ . 1 .]" 1
1371 1 105 ILE HA 1 106 PRO HD2 3.500 . 3.500 2.252 2.078 2.466 . 0 0 "[ . 1 .]" 1
1372 1 105 ILE HB 1 106 PRO HD3 5.000 . 5.000 4.390 3.426 5.006 0.006 13 0 "[ . 1 .]" 1
1373 1 105 ILE MG 1 106 PRO HD3 5.000 . 5.000 4.051 3.195 4.769 . 0 0 "[ . 1 .]" 1
1374 1 105 ILE MG 1 106 PRO HD2 6.000 . 6.000 3.322 1.864 4.555 . 0 0 "[ . 1 .]" 1
1375 1 105 ILE MD 1 106 PRO HD2 6.000 . 6.000 4.241 2.035 5.694 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 33
_Distance_constraint_stats_list.Viol_count 93
_Distance_constraint_stats_list.Viol_total 15.399
_Distance_constraint_stats_list.Viol_max 0.055
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0110
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 GLY 0.030 0.012 15 0 "[ . 1 .]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 12 GLU 0.018 0.007 8 0 "[ . 1 .]"
1 13 ILE 0.153 0.020 8 0 "[ . 1 .]"
1 14 CYS 0.023 0.014 13 0 "[ . 1 .]"
1 16 TYR 0.007 0.006 9 0 "[ . 1 .]"
1 19 PHE 0.045 0.006 1 0 "[ . 1 .]"
1 24 THR 0.461 0.055 12 0 "[ . 1 .]"
1 25 ASP 0.012 0.007 14 0 "[ . 1 .]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 28 GLU 0.461 0.055 12 0 "[ . 1 .]"
1 29 TRP 0.012 0.007 14 0 "[ . 1 .]"
1 30 MET 0.061 0.016 8 0 "[ . 1 .]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 34 CYS 0.061 0.016 8 0 "[ . 1 .]"
1 37 SER 0.000 0.000 . 0 "[ . 1 .]"
1 39 VAL 0.153 0.020 8 0 "[ . 1 .]"
1 41 GLU 0.066 0.011 13 0 "[ . 1 .]"
1 42 LEU 0.027 0.008 9 0 "[ . 1 .]"
1 44 SER 0.066 0.011 13 0 "[ . 1 .]"
1 45 PHE 0.027 0.008 9 0 "[ . 1 .]"
1 46 THR 0.018 0.007 8 0 "[ . 1 .]"
1 52 HIS 0.030 0.012 15 0 "[ . 1 .]"
1 54 ILE 0.023 0.014 13 0 "[ . 1 .]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 56 VAL 0.007 0.006 9 0 "[ . 1 .]"
1 57 VAL 0.007 0.005 6 0 "[ . 1 .]"
1 61 ALA 0.045 0.006 1 0 "[ . 1 .]"
1 70 ALA 0.109 0.018 4 0 "[ . 1 .]"
1 71 ILE 0.009 0.006 11 0 "[ . 1 .]"
1 74 MET 0.109 0.018 4 0 "[ . 1 .]"
1 75 CYS 0.009 0.006 11 0 "[ . 1 .]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 80 VAL 0.007 0.005 6 0 "[ . 1 .]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 84 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 88 SER 0.000 0.000 . 0 "[ . 1 .]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 93 GLN 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 16 TYR H 1 56 VAL O 2.200 . 2.500 2.258 2.030 2.506 0.006 9 0 "[ . 1 .]" 2
2 1 25 ASP O 1 29 TRP H 2.200 . 2.500 2.379 2.060 2.507 0.007 14 0 "[ . 1 .]" 2
3 1 28 GLU O 1 32 GLN H 2.200 . 2.500 2.023 1.932 2.100 . 0 0 "[ . 1 .]" 2
4 1 41 GLU O 1 44 SER H 2.200 . 2.500 2.490 2.291 2.511 0.011 13 0 "[ . 1 .]" 2
5 1 42 LEU O 1 45 PHE H 2.200 . 2.500 2.301 1.929 2.508 0.008 9 0 "[ . 1 .]" 2
6 1 55 VAL H 1 78 PRO O 2.200 . 2.500 1.855 1.683 2.203 . 0 0 "[ . 1 .]" 2
7 1 19 PHE O 1 61 ALA H 2.200 . 2.500 2.439 2.156 2.506 0.006 1 0 "[ . 1 .]" 2
8 1 83 GLU O 1 87 ASP H 2.200 . 2.500 1.632 1.600 1.661 . 0 0 "[ . 1 .]" 2
9 1 87 ASP O 1 91 LEU H 2.200 . 2.500 2.396 2.296 2.462 . 0 0 "[ . 1 .]" 2
10 1 88 SER O 1 92 TYR H 2.200 . 2.500 1.982 1.903 2.121 . 0 0 "[ . 1 .]" 2
11 1 88 SER O 1 93 GLN H 2.200 . 2.500 2.160 2.071 2.273 . 0 0 "[ . 1 .]" 2
12 1 12 GLU OE1 1 46 THR H 2.200 . 2.500 2.344 2.045 2.507 0.007 8 0 "[ . 1 .]" 2
13 1 24 THR O 1 28 GLU H 2.200 . 2.500 2.531 2.516 2.555 0.055 12 0 "[ . 1 .]" 2
14 1 26 GLN O 1 30 MET H 2.200 . 2.500 2.255 2.020 2.424 . 0 0 "[ . 1 .]" 2
15 1 27 LEU O 1 31 VAL H 2.200 . 2.500 2.200 2.030 2.411 . 0 0 "[ . 1 .]" 2
16 1 29 TRP O 1 33 LEU H 2.200 . 2.500 1.886 1.785 2.011 . 0 0 "[ . 1 .]" 2
17 1 30 MET O 1 34 CYS H 2.200 . 2.500 2.472 2.332 2.516 0.016 8 0 "[ . 1 .]" 2
18 1 70 ALA O 1 74 MET H 2.200 . 2.500 2.488 2.222 2.518 0.018 4 0 "[ . 1 .]" 2
19 1 71 ILE O 1 75 CYS H 2.200 . 2.500 2.165 1.864 2.506 0.006 11 0 "[ . 1 .]" 2
20 1 82 ARG O 1 86 LEU H 2.200 . 2.500 1.817 1.719 1.960 . 0 0 "[ . 1 .]" 2
21 1 84 TRP O 1 88 SER H 2.200 . 2.500 1.831 1.765 1.915 . 0 0 "[ . 1 .]" 2
22 1 85 VAL O 1 89 VAL H 2.200 . 2.500 1.910 1.697 2.130 . 0 0 "[ . 1 .]" 2
23 1 86 LEU O 1 90 ALA H 2.200 . 2.500 1.771 1.687 1.883 . 0 0 "[ . 1 .]" 2
24 1 11 LEU O 1 37 SER H 2.200 . 2.500 1.862 1.649 2.054 . 0 0 "[ . 1 .]" 2
25 1 13 ILE O 1 39 VAL H 2.200 . 2.500 2.410 1.936 2.520 0.020 8 0 "[ . 1 .]" 2
26 1 13 ILE H 1 37 SER O 2.200 . 2.500 2.182 2.046 2.260 . 0 0 "[ . 1 .]" 2
27 1 12 GLU H 1 52 HIS O 2.200 . 2.500 1.883 1.699 2.080 . 0 0 "[ . 1 .]" 2
28 1 14 CYS H 1 54 ILE O 2.200 . 2.500 2.239 1.875 2.514 0.014 13 0 "[ . 1 .]" 2
29 1 10 GLY O 1 52 HIS H 2.200 . 2.500 2.344 1.936 2.512 0.012 15 0 "[ . 1 .]" 2
30 1 12 GLU O 1 54 ILE H 2.200 . 2.500 1.744 1.660 1.899 . 0 0 "[ . 1 .]" 2
31 1 14 CYS O 1 56 VAL H 2.200 . 2.500 1.896 1.805 1.974 . 0 0 "[ . 1 .]" 2
32 1 57 VAL H 1 80 VAL O 2.200 . 2.500 2.007 1.654 2.505 0.005 6 0 "[ . 1 .]" 2
33 1 55 VAL O 1 80 VAL H 2.200 . 2.500 1.879 1.668 2.050 . 0 0 "[ . 1 .]" 2
stop_
save_
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