NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395829 |
1s24   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s24
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 778
_Distance_constraint_stats_list.Viol_count 1213
_Distance_constraint_stats_list.Viol_total 1252.984
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0317
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0516
_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 33 TYR 1.498 0.169 16 0 "[ . 1 . 2]"
1 34 LEU 1.683 0.089 16 0 "[ . 1 . 2]"
1 35 LYS 0.316 0.087 12 0 "[ . 1 . 2]"
1 36 TRP 3.288 0.178 15 0 "[ . 1 . 2]"
1 37 ILE 6.311 0.273 17 0 "[ . 1 . 2]"
1 38 CYS 0.744 0.040 10 0 "[ . 1 . 2]"
1 39 ILE 13.462 0.950 5 6 "[ * + -1 * *.* 2]"
1 40 THR 7.455 0.950 5 6 "[ * + -1 * *.* 2]"
1 41 CYS 2.373 0.212 13 0 "[ . 1 . 2]"
1 42 GLY 1.027 0.088 5 0 "[ . 1 . 2]"
1 43 HIS 0.540 0.059 9 0 "[ . 1 . 2]"
1 44 ILE 8.209 0.407 18 0 "[ . 1 . 2]"
1 45 TYR 4.768 0.340 10 0 "[ . 1 . 2]"
1 46 ASP 5.908 0.889 17 5 "[ . - 1 *. +**2]"
1 47 GLU 0.583 0.073 2 0 "[ . 1 . 2]"
1 48 ALA 0.031 0.008 18 0 "[ . 1 . 2]"
1 49 LEU 0.129 0.034 13 0 "[ . 1 . 2]"
1 50 GLY 0.568 0.056 4 0 "[ . 1 . 2]"
1 51 ASP 2.134 0.340 10 0 "[ . 1 . 2]"
1 52 GLU 0.065 0.015 15 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.205 0.079 8 0 "[ . 1 . 2]"
1 55 GLY 0.115 0.026 4 0 "[ . 1 . 2]"
1 56 PHE 4.376 0.340 10 0 "[ . 1 . 2]"
1 57 THR 4.089 0.097 10 0 "[ . 1 . 2]"
1 58 PRO 0.081 0.031 14 0 "[ . 1 . 2]"
1 59 GLY 0.018 0.010 13 0 "[ . 1 . 2]"
1 60 THR 0.570 0.079 8 0 "[ . 1 . 2]"
1 61 ARG 0.311 0.035 1 0 "[ . 1 . 2]"
1 62 PHE 1.970 0.093 2 0 "[ . 1 . 2]"
1 63 GLU 1.061 0.086 9 0 "[ . 1 . 2]"
1 64 ASP 0.357 0.042 4 0 "[ . 1 . 2]"
1 65 ILE 1.634 0.077 11 0 "[ . 1 . 2]"
1 68 ASP 0.742 0.323 10 0 "[ . 1 . 2]"
1 69 TRP 1.633 0.323 10 0 "[ . 1 . 2]"
1 70 CYS 0.467 0.092 14 0 "[ . 1 . 2]"
1 71 CYS 1.163 0.092 14 0 "[ . 1 . 2]"
1 73 ASP 0.053 0.021 13 0 "[ . 1 . 2]"
1 74 CYS 2.345 0.588 10 1 "[ . + . 2]"
1 75 GLY 1.925 0.588 10 1 "[ . + . 2]"
1 76 ALA 0.932 0.197 12 0 "[ . 1 . 2]"
1 77 THR 1.285 0.197 12 0 "[ . 1 . 2]"
1 78 LYS 0.813 0.103 13 0 "[ . 1 . 2]"
1 79 GLU 0.893 0.103 20 0 "[ . 1 . 2]"
1 80 ASP 1.617 0.088 5 0 "[ . 1 . 2]"
1 81 TYR 3.253 0.102 20 0 "[ . 1 . 2]"
1 82 VAL 0.695 0.047 11 0 "[ . 1 . 2]"
1 83 LEU 1.800 0.103 5 0 "[ . 1 . 2]"
1 84 TYR 0.829 0.088 11 0 "[ . 1 . 2]"
1 85 GLU 0.047 0.019 1 0 "[ . 1 . 2]"
1 86 GLU 2.705 0.845 12 3 "[ - . 1 + . *]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 33 TYR H 1 33 TYR HA 4.700 . 5.500 2.789 2.319 2.852 . 0 0 "[ . 1 . 2]" 1
2 1 33 TYR H 1 33 TYR HB2 2.200 . 2.800 2.345 2.162 2.969 0.169 16 0 "[ . 1 . 2]" 1
3 1 33 TYR H 1 33 TYR HB3 3.200 . 4.500 3.597 3.488 3.985 . 0 0 "[ . 1 . 2]" 1
4 1 33 TYR H 1 33 TYR HB3 2.600 . 3.400 2.870 2.559 3.136 . 0 0 "[ . 1 . 2]" 1
5 1 33 TYR H 1 33 TYR QD 2.800 . 3.800 3.234 2.554 3.825 0.025 16 0 "[ . 1 . 2]" 1
6 1 33 TYR H 1 34 LEU H 3.600 . 5.200 4.511 4.309 4.647 . 0 0 "[ . 1 . 2]" 1
7 1 33 TYR HA 1 33 TYR HB3 2.300 . 3.000 2.605 2.561 2.829 . 0 0 "[ . 1 . 2]" 1
8 1 33 TYR HA 1 33 TYR QD 2.000 . 2.500 2.213 1.954 2.471 . 0 0 "[ . 1 . 2]" 1
9 1 33 TYR HA 1 34 LEU H 1.800 . 2.200 2.228 2.211 2.289 0.089 16 0 "[ . 1 . 2]" 1
10 1 33 TYR HA 1 34 LEU HB3 2.400 . 4.500 4.528 4.504 4.553 0.053 16 0 "[ . 1 . 2]" 1
11 1 33 TYR HA 1 47 GLU QB 5.000 . 5.500 3.183 2.906 3.787 . 0 0 "[ . 1 . 2]" 1
12 1 33 TYR HB2 1 33 TYR QD 1.800 . 2.200 2.137 2.116 2.154 . 0 0 "[ . 1 . 2]" 1
13 1 33 TYR HB2 1 34 LEU H 3.500 . 5.000 4.274 4.185 4.354 . 0 0 "[ . 1 . 2]" 1
14 1 33 TYR HB2 1 47 GLU H 4.000 . 5.500 4.010 3.716 4.206 . 0 0 "[ . 1 . 2]" 1
15 1 33 TYR HB2 1 48 ALA H 3.400 . 4.800 3.283 2.951 3.578 . 0 0 "[ . 1 . 2]" 1
16 1 33 TYR HB2 1 47 GLU QB 5.500 . 5.500 3.598 3.313 4.015 . 0 0 "[ . 1 . 2]" 1
17 1 33 TYR HB2 1 47 GLU QB 5.500 . 5.500 2.329 1.916 2.796 . 0 0 "[ . 1 . 2]" 1
18 1 33 TYR HB2 1 48 ALA MB 2.500 . 3.300 2.844 2.077 3.307 0.007 11 0 "[ . 1 . 2]" 1
19 1 33 TYR HB3 1 33 TYR QD 2.200 . 2.800 2.651 2.562 2.729 . 0 0 "[ . 1 . 2]" 1
20 1 33 TYR HB3 1 34 LEU H 2.600 . 3.400 3.264 3.130 3.402 0.002 1 0 "[ . 1 . 2]" 1
21 1 33 TYR HB3 1 47 GLU QB 2.200 . 2.800 2.043 1.819 2.391 . 0 0 "[ . 1 . 2]" 1
22 1 33 TYR HB3 1 48 ALA H 2.700 . 3.600 3.031 2.627 3.461 . 0 0 "[ . 1 . 2]" 1
23 1 33 TYR HB3 1 48 ALA HA 2.500 . 4.500 4.298 4.037 4.508 0.008 4 0 "[ . 1 . 2]" 1
24 1 33 TYR HB3 1 48 ALA MB 2.700 . 3.600 2.937 2.202 3.550 . 0 0 "[ . 1 . 2]" 1
25 1 33 TYR QD 1 34 LEU H 2.700 . 3.600 3.411 2.184 3.613 0.013 4 0 "[ . 1 . 2]" 1
26 1 33 TYR QD 1 35 LYS QB 5.300 . 5.500 4.776 4.365 4.999 . 0 0 "[ . 1 . 2]" 1
27 1 33 TYR QD 1 47 GLU QB 2.700 . 3.600 2.216 1.916 2.669 . 0 0 "[ . 1 . 2]" 1
28 1 33 TYR QD 1 47 GLU H 5.500 . 5.500 5.113 4.619 5.484 . 0 0 "[ . 1 . 2]" 1
29 1 33 TYR QD 1 47 GLU QB . . 3.100 2.254 1.927 2.772 0.073 2 0 "[ . 1 . 2]" 1
30 1 33 TYR QD 1 48 ALA H 5.500 . 5.500 4.231 3.670 4.686 . 0 0 "[ . 1 . 2]" 1
31 1 33 TYR QD 1 48 ALA MB 2.600 . 3.400 2.526 2.025 3.333 . 0 0 "[ . 1 . 2]" 1
32 1 33 TYR QE 1 48 ALA MB 2.700 . 3.600 3.038 2.831 3.304 . 0 0 "[ . 1 . 2]" 1
33 1 33 TYR QE 1 59 GLY HA2 2.400 . 4.500 2.846 2.182 3.733 . 0 0 "[ . 1 . 2]" 1
34 1 33 TYR QE 1 59 GLY HA2 2.200 . 2.800 2.496 2.075 2.782 . 0 0 "[ . 1 . 2]" 1
35 1 33 TYR QE 1 60 THR H 3.000 . 4.100 3.448 3.055 3.682 . 0 0 "[ . 1 . 2]" 1
36 1 34 LEU H 1 34 LEU HA 2.500 . 3.300 2.951 2.873 2.996 . 0 0 "[ . 1 . 2]" 1
37 1 34 LEU H 1 34 LEU HB2 2.200 . 2.800 2.044 1.950 2.197 . 0 0 "[ . 1 . 2]" 1
38 1 34 LEU H 1 34 LEU HB3 3.400 . 4.800 3.334 3.224 3.488 . 0 0 "[ . 1 . 2]" 1
39 1 34 LEU H 1 34 LEU HG 5.400 . 5.500 4.148 3.937 4.370 . 0 0 "[ . 1 . 2]" 1
40 1 34 LEU H 1 36 TRP HE1 3.700 . 5.400 4.549 4.181 5.083 . 0 0 "[ . 1 . 2]" 1
41 1 34 LEU H 1 47 GLU H 3.600 . 5.200 4.632 4.019 5.088 . 0 0 "[ . 1 . 2]" 1
42 1 34 LEU H 1 47 GLU QB 2.700 . 3.600 2.812 2.551 3.008 . 0 0 "[ . 1 . 2]" 1
43 1 34 LEU HA 1 34 LEU HB2 2.400 . 3.100 2.949 2.903 3.003 . 0 0 "[ . 1 . 2]" 1
44 1 34 LEU HA 1 34 LEU HB3 2.400 . 3.100 2.765 2.674 2.830 . 0 0 "[ . 1 . 2]" 1
45 1 34 LEU HA 1 34 LEU HG 2.100 . 2.700 2.240 2.145 2.359 . 0 0 "[ . 1 . 2]" 1
46 1 34 LEU HA 1 35 LYS H 2.000 . 2.500 2.468 2.366 2.587 0.087 12 0 "[ . 1 . 2]" 1
47 1 34 LEU HB2 1 36 TRP HD1 5.500 . 5.500 5.130 4.956 5.327 . 0 0 "[ . 1 . 2]" 1
48 1 34 LEU HB2 1 36 TRP HE1 2.600 . 3.400 3.376 3.219 3.431 0.031 13 0 "[ . 1 . 2]" 1
49 1 34 LEU HB2 1 36 TRP HZ2 5.500 . 5.500 4.415 4.095 4.832 . 0 0 "[ . 1 . 2]" 1
50 1 34 LEU HB2 1 83 LEU QD 5.000 . 5.500 4.131 3.469 4.711 . 0 0 "[ . 1 . 2]" 1
51 1 34 LEU HB3 1 34 LEU HG 1.900 . 2.400 2.113 2.043 2.170 . 0 0 "[ . 1 . 2]" 1
52 1 34 LEU HB3 1 35 LYS H 2.400 . 3.100 2.650 2.297 2.864 . 0 0 "[ . 1 . 2]" 1
53 1 34 LEU HB3 1 36 TRP HB3 5.400 . 5.500 5.417 5.234 5.538 0.038 12 0 "[ . 1 . 2]" 1
54 1 34 LEU HB3 1 36 TRP HE1 3.200 . 4.500 2.852 2.487 3.552 . 0 0 "[ . 1 . 2]" 1
55 1 34 LEU HB3 1 83 LEU QD 3.100 . 4.300 2.156 1.954 2.452 . 0 0 "[ . 1 . 2]" 1
56 1 34 LEU HG 1 35 LYS H 4.500 . 5.500 3.147 2.822 3.592 . 0 0 "[ . 1 . 2]" 1
57 1 34 LEU HG 1 83 LEU QD 2.600 . 3.400 2.973 2.411 3.287 . 0 0 "[ . 1 . 2]" 1
58 1 35 LYS H 1 35 LYS HA 2.800 . 3.800 2.993 2.975 3.004 . 0 0 "[ . 1 . 2]" 1
59 1 35 LYS H 1 35 LYS QB 2.600 . 3.100 2.549 2.367 3.006 . 0 0 "[ . 1 . 2]" 1
60 1 35 LYS H 1 35 LYS QB 3.600 . 5.200 2.500 2.341 2.878 . 0 0 "[ . 1 . 2]" 1
61 1 35 LYS H 1 36 TRP H 4.100 . 5.500 4.391 4.217 4.555 . 0 0 "[ . 1 . 2]" 1
62 1 35 LYS H 1 84 TYR H 5.500 . 5.500 4.094 3.471 4.634 . 0 0 "[ . 1 . 2]" 1
63 1 35 LYS H 1 83 LEU QD 5.500 . 5.500 3.248 2.392 3.906 . 0 0 "[ . 1 . 2]" 1
64 1 35 LYS H 1 84 TYR H 5.500 . 5.500 4.345 3.559 4.903 . 0 0 "[ . 1 . 2]" 1
65 1 35 LYS HA 1 35 LYS QB . . 3.100 2.408 2.202 2.536 . 0 0 "[ . 1 . 2]" 1
66 1 35 LYS HA 1 36 TRP H 2.000 . 2.500 2.275 2.204 2.414 . 0 0 "[ . 1 . 2]" 1
67 1 35 LYS HA 1 36 TRP HD1 2.600 . 3.400 2.608 2.308 2.956 . 0 0 "[ . 1 . 2]" 1
68 1 35 LYS HA 1 44 ILE MG 3.000 . 4.100 3.954 3.687 4.146 0.046 15 0 "[ . 1 . 2]" 1
69 1 35 LYS HA 1 46 ASP HA 2.700 . 3.600 3.076 2.637 3.344 . 0 0 "[ . 1 . 2]" 1
70 1 35 LYS HA 1 47 GLU H 2.600 . 3.400 3.024 2.801 3.316 . 0 0 "[ . 1 . 2]" 1
71 1 35 LYS QB 1 36 TRP H 2.700 . 4.500 3.084 2.672 3.443 . 0 0 "[ . 1 . 2]" 1
72 1 35 LYS QB 1 36 TRP H 2.800 . 3.800 2.656 2.007 3.327 . 0 0 "[ . 1 . 2]" 1
73 1 35 LYS QB 1 36 TRP H 2.700 . 3.600 2.576 2.001 3.114 . 0 0 "[ . 1 . 2]" 1
74 1 35 LYS QB 1 44 ILE MG 2.100 . 2.700 2.364 1.983 2.621 . 0 0 "[ . 1 . 2]" 1
75 1 35 LYS QB 1 44 ILE MG 2.200 . 2.800 2.464 2.008 2.787 . 0 0 "[ . 1 . 2]" 1
76 1 35 LYS QB 1 46 ASP HA 4.700 . 5.500 3.691 3.106 4.312 . 0 0 "[ . 1 . 2]" 1
77 1 35 LYS QB 1 84 TYR HB2 4.900 . 5.500 3.341 2.587 3.765 . 0 0 "[ . 1 . 2]" 1
78 1 35 LYS QB 1 84 TYR HB2 5.500 . 5.500 3.472 2.603 3.829 . 0 0 "[ . 1 . 2]" 1
79 1 35 LYS QB 1 84 TYR HB3 . . 3.600 2.815 2.048 3.211 . 0 0 "[ . 1 . 2]" 1
80 1 35 LYS QB 1 84 TYR QD 3.700 . 5.400 3.700 2.845 4.412 . 0 0 "[ . 1 . 2]" 1
81 1 36 TRP H 1 36 TRP HA 2.700 . 3.600 3.002 2.985 3.010 . 0 0 "[ . 1 . 2]" 1
82 1 36 TRP H 1 36 TRP HB2 2.400 . 3.100 2.561 2.449 2.701 . 0 0 "[ . 1 . 2]" 1
83 1 36 TRP H 1 36 TRP HB3 3.100 . 4.300 3.720 3.622 3.818 . 0 0 "[ . 1 . 2]" 1
84 1 36 TRP H 1 36 TRP HD1 2.600 . 3.400 2.173 1.935 2.528 . 0 0 "[ . 1 . 2]" 1
85 1 36 TRP H 1 37 ILE H 3.500 . 5.000 4.450 4.277 4.579 . 0 0 "[ . 1 . 2]" 1
86 1 36 TRP H 1 44 ILE MG 3.000 . 4.100 3.338 2.736 3.790 . 0 0 "[ . 1 . 2]" 1
87 1 36 TRP H 1 45 TYR H 2.600 . 3.400 2.709 2.234 3.218 . 0 0 "[ . 1 . 2]" 1
88 1 36 TRP H 1 45 TYR HB3 3.100 . 4.300 2.261 1.885 2.701 0.015 15 0 "[ . 1 . 2]" 1
89 1 36 TRP H 1 45 TYR QD 3.500 . 5.000 2.982 2.746 3.544 . 0 0 "[ . 1 . 2]" 1
90 1 36 TRP H 1 46 ASP HA 2.800 . 4.500 4.287 3.924 4.519 0.019 13 0 "[ . 1 . 2]" 1
91 1 36 TRP H 1 47 GLU H 4.000 . 5.500 4.578 4.201 4.876 . 0 0 "[ . 1 . 2]" 1
92 1 36 TRP HA 1 36 TRP HB2 2.600 . 3.400 3.042 3.039 3.044 . 0 0 "[ . 1 . 2]" 1
93 1 36 TRP HA 1 36 TRP HE1 4.400 . 5.500 4.194 4.065 4.334 . 0 0 "[ . 1 . 2]" 1
94 1 36 TRP HA 1 36 TRP HE3 3.200 . 4.500 3.774 3.509 3.902 . 0 0 "[ . 1 . 2]" 1
95 1 36 TRP HA 1 37 ILE H 2.000 . 2.500 2.427 2.215 2.615 0.115 3 0 "[ . 1 . 2]" 1
96 1 36 TRP HA 1 45 TYR QD 3.500 . 5.000 4.026 3.688 4.283 . 0 0 "[ . 1 . 2]" 1
97 1 36 TRP HA 1 83 LEU HA 2.600 . 3.400 2.646 2.240 3.046 . 0 0 "[ . 1 . 2]" 1
98 1 36 TRP HA 1 84 TYR H 2.200 . 2.800 2.274 1.934 2.767 . 0 0 "[ . 1 . 2]" 1
99 1 36 TRP HB2 1 36 TRP HD1 2.600 . 3.400 2.821 2.737 2.864 . 0 0 "[ . 1 . 2]" 1
100 1 36 TRP HB2 1 37 ILE H 3.200 . 4.500 3.666 3.220 4.255 . 0 0 "[ . 1 . 2]" 1
101 1 36 TRP HB2 1 45 TYR QD 2.200 . 2.800 2.522 2.312 2.701 . 0 0 "[ . 1 . 2]" 1
102 1 36 TRP HB2 1 62 PHE QD 3.500 . 5.000 4.335 3.055 4.913 . 0 0 "[ . 1 . 2]" 1
103 1 36 TRP HB2 1 81 TYR QD 2.400 . 3.100 2.693 2.402 2.880 . 0 0 "[ . 1 . 2]" 1
104 1 36 TRP HB3 1 36 TRP HD1 3.200 . 4.500 3.868 3.852 3.878 . 0 0 "[ . 1 . 2]" 1
105 1 36 TRP HB3 1 36 TRP HE3 2.000 . 2.500 2.485 2.467 2.520 0.020 4 0 "[ . 1 . 2]" 1
106 1 36 TRP HB3 1 37 ILE H 5.000 . 5.500 2.756 2.243 3.556 . 0 0 "[ . 1 . 2]" 1
107 1 36 TRP HB3 1 81 TYR QD 2.000 . 2.500 2.391 2.126 2.522 0.022 4 0 "[ . 1 . 2]" 1
108 1 36 TRP HD1 1 47 GLU QB 5.500 . 5.500 4.089 3.784 4.405 . 0 0 "[ . 1 . 2]" 1
109 1 36 TRP HD1 1 62 PHE HB2 3.400 . 4.800 3.931 3.573 4.169 . 0 0 "[ . 1 . 2]" 1
110 1 36 TRP HD1 1 62 PHE QD 3.400 . 4.800 3.228 2.828 3.619 . 0 0 "[ . 1 . 2]" 1
111 1 36 TRP HD1 1 62 PHE QE 3.300 . 4.700 4.006 3.540 4.542 . 0 0 "[ . 1 . 2]" 1
112 1 36 TRP HD1 1 83 LEU HA 4.200 . 5.500 4.317 4.095 4.549 . 0 0 "[ . 1 . 2]" 1
113 1 36 TRP HD1 1 83 LEU QD 5.500 . 5.500 3.373 2.962 4.051 . 0 0 "[ . 1 . 2]" 1
114 1 36 TRP HD1 1 45 TYR QD 1.900 . 2.400 1.909 1.839 1.953 . 0 0 "[ . 1 . 2]" 1
115 1 36 TRP HD1 1 46 ASP HA 4.000 . 5.500 4.818 4.249 5.075 . 0 0 "[ . 1 . 2]" 1
116 1 36 TRP HD1 1 47 GLU H 3.100 . 4.300 4.035 3.704 4.293 . 0 0 "[ . 1 . 2]" 1
117 1 36 TRP HD1 1 62 PHE H 3.300 . 4.700 4.692 4.599 4.727 0.027 5 0 "[ . 1 . 2]" 1
118 1 36 TRP HD1 1 62 PHE HB2 3.100 . 4.300 4.045 3.599 4.323 0.023 10 0 "[ . 1 . 2]" 1
119 1 36 TRP HE1 1 45 TYR QD 2.900 . 4.000 3.277 3.095 3.380 . 0 0 "[ . 1 . 2]" 1
120 1 36 TRP HE1 1 45 TYR QD 3.400 . 4.800 3.431 3.403 3.505 . 0 0 "[ . 1 . 2]" 1
121 1 36 TRP HE1 1 45 TYR QD 2.700 . 3.600 3.678 3.623 3.778 0.178 15 0 "[ . 1 . 2]" 1
122 1 36 TRP HE1 1 45 TYR QE 3.600 . 5.200 4.031 3.772 4.291 . 0 0 "[ . 1 . 2]" 1
123 1 36 TRP HE1 1 47 GLU H 5.000 . 5.500 4.975 4.409 5.307 . 0 0 "[ . 1 . 2]" 1
124 1 36 TRP HE1 1 47 GLU QB 4.300 . 5.500 3.621 3.023 3.870 . 0 0 "[ . 1 . 2]" 1
125 1 36 TRP HE1 1 61 ARG HA 4.700 . 5.500 4.441 4.213 4.683 . 0 0 "[ . 1 . 2]" 1
126 1 36 TRP HE1 1 62 PHE H 2.400 . 3.100 3.026 2.836 3.125 0.025 14 0 "[ . 1 . 2]" 1
127 1 36 TRP HE1 1 62 PHE HA 4.800 . 5.500 5.044 4.756 5.302 . 0 0 "[ . 1 . 2]" 1
128 1 36 TRP HE1 1 62 PHE HB2 2.700 . 3.600 2.436 2.154 2.730 . 0 0 "[ . 1 . 2]" 1
129 1 36 TRP HE1 1 62 PHE QD 3.400 . 4.800 3.949 3.475 4.376 . 0 0 "[ . 1 . 2]" 1
130 1 36 TRP HE3 1 37 ILE H 3.100 . 4.300 3.963 3.644 4.345 0.045 12 0 "[ . 1 . 2]" 1
131 1 36 TRP HE3 1 83 LEU H 2.600 . 3.400 2.974 2.579 3.376 . 0 0 "[ . 1 . 2]" 1
132 1 36 TRP HE3 1 78 LYS HA 4.900 . 5.500 4.540 3.747 4.897 . 0 0 "[ . 1 . 2]" 1
133 1 36 TRP HE3 1 81 TYR HB2 3.100 . 4.300 3.911 3.739 4.076 . 0 0 "[ . 1 . 2]" 1
134 1 36 TRP HE3 1 81 TYR H 3.600 . 5.200 4.543 4.324 4.651 . 0 0 "[ . 1 . 2]" 1
135 1 36 TRP HE3 1 81 TYR HB3 2.500 . 3.300 3.060 2.757 3.320 0.020 15 0 "[ . 1 . 2]" 1
136 1 36 TRP HE3 1 81 TYR HB3 2.500 . 3.300 3.008 2.733 3.236 . 0 0 "[ . 1 . 2]" 1
137 1 36 TRP HE3 1 82 VAL HA 2.600 . 3.400 3.288 3.091 3.444 0.044 12 0 "[ . 1 . 2]" 1
138 1 36 TRP HE3 1 83 LEU HA 2.800 . 3.800 3.519 3.154 3.807 0.007 11 0 "[ . 1 . 2]" 1
139 1 36 TRP HH2 1 36 TRP HZ3 2.000 . 2.500 2.479 2.478 2.480 . 0 0 "[ . 1 . 2]" 1
140 1 36 TRP HH2 1 83 LEU QD 5.500 . 5.500 3.240 2.677 4.240 . 0 0 "[ . 1 . 2]" 1
141 1 36 TRP HH2 1 62 PHE H 3.400 . 4.800 4.403 4.264 4.539 . 0 0 "[ . 1 . 2]" 1
142 1 36 TRP HH2 1 62 PHE QD 2.400 . 3.100 2.946 2.678 3.117 0.017 1 0 "[ . 1 . 2]" 1
143 1 36 TRP HH2 1 83 LEU QD 5.500 . 5.500 3.256 2.680 4.333 . 0 0 "[ . 1 . 2]" 1
144 1 36 TRP HH2 1 83 LEU HB2 3.600 . 5.200 4.796 4.299 5.210 0.010 19 0 "[ . 1 . 2]" 1
145 1 36 TRP HH2 1 83 LEU QD 5.500 . 5.500 3.282 2.682 4.453 . 0 0 "[ . 1 . 2]" 1
146 1 36 TRP HZ2 1 62 PHE H 4.000 . 5.500 3.954 3.702 4.197 . 0 0 "[ . 1 . 2]" 1
147 1 36 TRP HZ2 1 62 PHE HB2 5.400 . 5.500 2.746 2.260 3.337 . 0 0 "[ . 1 . 2]" 1
148 1 36 TRP HZ2 1 62 PHE HB3 5.000 . 5.500 2.614 2.266 3.148 . 0 0 "[ . 1 . 2]" 1
149 1 36 TRP HZ2 1 62 PHE QD 3.700 . 5.400 3.910 3.229 4.475 . 0 0 "[ . 1 . 2]" 1
150 1 36 TRP HZ2 1 83 LEU QD 5.500 . 5.500 3.348 2.793 4.383 . 0 0 "[ . 1 . 2]" 1
151 1 36 TRP HZ3 1 82 VAL HA 2.500 . 4.500 3.988 3.580 4.390 . 0 0 "[ . 1 . 2]" 1
152 1 36 TRP HZ3 1 83 LEU H 3.300 . 4.700 4.154 3.560 4.467 . 0 0 "[ . 1 . 2]" 1
153 1 36 TRP HZ3 1 83 LEU HA 4.600 . 5.500 4.611 4.312 4.967 . 0 0 "[ . 1 . 2]" 1
154 1 36 TRP HZ3 1 83 LEU HB2 3.200 . 4.500 3.939 3.482 4.350 . 0 0 "[ . 1 . 2]" 1
155 1 36 TRP HZ3 1 83 LEU QD 5.500 . 5.500 3.514 3.016 4.484 . 0 0 "[ . 1 . 2]" 1
156 1 37 ILE H 1 37 ILE HA 2.600 . 3.400 2.961 2.910 2.996 . 0 0 "[ . 1 . 2]" 1
157 1 37 ILE H 1 37 ILE MG 2.200 . 2.800 2.142 1.864 2.490 . 0 0 "[ . 1 . 2]" 1
158 1 37 ILE H 1 38 CYS H 4.300 . 5.500 4.055 3.844 4.220 . 0 0 "[ . 1 . 2]" 1
159 1 37 ILE H 1 44 ILE HG12 5.300 . 5.500 5.353 4.655 5.773 0.273 17 0 "[ . 1 . 2]" 1
160 1 37 ILE H 1 45 TYR H 3.700 . 5.400 4.385 4.139 4.742 . 0 0 "[ . 1 . 2]" 1
161 1 37 ILE H 1 81 TYR HB3 3.300 . 4.700 3.401 2.739 3.691 . 0 0 "[ . 1 . 2]" 1
162 1 37 ILE H 1 81 TYR QD 3.000 . 4.100 3.121 2.506 3.845 . 0 0 "[ . 1 . 2]" 1
163 1 37 ILE H 1 82 VAL H 2.400 . 3.100 2.592 2.061 3.104 0.004 13 0 "[ . 1 . 2]" 1
164 1 37 ILE H 1 83 LEU HA 3.200 . 4.500 4.149 3.792 4.465 . 0 0 "[ . 1 . 2]" 1
165 1 37 ILE H 1 84 TYR H 3.000 . 4.100 3.680 2.970 4.103 0.003 17 0 "[ . 1 . 2]" 1
166 1 37 ILE H 1 84 TYR HA 3.500 . 5.000 4.660 3.937 5.027 0.027 3 0 "[ . 1 . 2]" 1
167 1 37 ILE H 1 84 TYR HB2 3.000 . 4.100 3.613 2.749 3.994 . 0 0 "[ . 1 . 2]" 1
168 1 37 ILE H 1 84 TYR HB3 3.900 . 5.500 5.233 4.405 5.517 0.017 16 0 "[ . 1 . 2]" 1
169 1 37 ILE HA 1 37 ILE HB 1.900 . 2.400 2.470 2.408 2.551 0.151 9 0 "[ . 1 . 2]" 1
170 1 37 ILE HA 1 37 ILE QG 2.900 . 4.000 2.763 2.316 3.147 . 0 0 "[ . 1 . 2]" 1
171 1 37 ILE HA 1 37 ILE QG 3.000 . 4.100 2.681 2.292 3.012 . 0 0 "[ . 1 . 2]" 1
172 1 37 ILE HA 1 38 CYS H 1.800 . 2.200 2.203 2.177 2.231 0.031 11 0 "[ . 1 . 2]" 1
173 1 37 ILE HA 1 44 ILE HA 3.000 . 4.100 1.996 1.900 2.202 . 0 0 "[ . 1 . 2]" 1
174 1 37 ILE HA 1 44 ILE HG12 3.200 . 4.500 3.749 2.801 4.127 . 0 0 "[ . 1 . 2]" 1
175 1 37 ILE HA 1 45 TYR H 2.700 . 3.600 3.142 2.690 3.503 . 0 0 "[ . 1 . 2]" 1
176 1 37 ILE HA 1 81 TYR QE 3.600 . 5.200 3.385 2.861 4.038 . 0 0 "[ . 1 . 2]" 1
177 1 37 ILE HB 1 37 ILE MD 2.700 . 3.600 2.755 2.363 3.200 . 0 0 "[ . 1 . 2]" 1
178 1 37 ILE HB 1 37 ILE MD 2.300 . 3.000 2.110 1.876 2.442 . 0 0 "[ . 1 . 2]" 1
179 1 37 ILE HB 1 37 ILE QG 1.900 . 2.400 2.265 2.177 2.340 . 0 0 "[ . 1 . 2]" 1
180 1 37 ILE HB 1 38 CYS H 2.300 . 4.500 4.308 4.109 4.481 . 0 0 "[ . 1 . 2]" 1
181 1 37 ILE HB 1 42 GLY H 3.400 . 4.800 4.831 4.725 4.888 0.088 5 0 "[ . 1 . 2]" 1
182 1 37 ILE HB 1 42 GLY HA2 4.800 . 5.500 5.364 5.056 5.559 0.059 9 0 "[ . 1 . 2]" 1
183 1 37 ILE HB 1 44 ILE HA 3.200 . 4.500 3.133 2.600 4.215 . 0 0 "[ . 1 . 2]" 1
184 1 37 ILE HB 1 44 ILE HG12 2.900 . 4.000 2.628 2.235 2.990 . 0 0 "[ . 1 . 2]" 1
185 1 37 ILE HB 1 84 TYR H 4.000 . 5.500 3.844 3.602 4.023 . 0 0 "[ . 1 . 2]" 1
186 1 37 ILE HB 1 84 TYR QD 3.500 . 5.000 2.121 1.953 2.723 0.047 7 0 "[ . 1 . 2]" 1
187 1 37 ILE MD 1 37 ILE QG 1.900 . 2.400 1.805 1.702 1.837 . 0 0 "[ . 1 . 2]" 1
188 1 37 ILE MD 1 38 CYS H 4.200 . 5.500 2.215 1.975 2.566 0.025 11 0 "[ . 1 . 2]" 1
189 1 37 ILE MD 1 38 CYS HB3 2.600 . 3.400 3.355 3.178 3.440 0.040 10 0 "[ . 1 . 2]" 1
190 1 37 ILE MD 1 44 ILE H 4.000 . 5.500 2.853 2.521 3.328 . 0 0 "[ . 1 . 2]" 1
191 1 37 ILE MD 1 44 ILE HA 2.700 . 3.600 2.932 1.963 3.688 0.088 9 0 "[ . 1 . 2]" 1
192 1 37 ILE MD 1 84 TYR QD 4.000 . 5.500 3.498 3.091 3.846 . 0 0 "[ . 1 . 2]" 1
193 1 37 ILE MD 1 84 TYR QE 2.600 . 3.400 3.027 2.128 3.427 0.027 7 0 "[ . 1 . 2]" 1
194 1 37 ILE MD 1 84 TYR QD 4.900 . 5.500 3.965 3.556 4.357 . 0 0 "[ . 1 . 2]" 1
195 1 37 ILE QG 1 37 ILE MG 2.200 . 2.800 2.208 2.051 2.398 . 0 0 "[ . 1 . 2]" 1
196 1 37 ILE QG 1 38 CYS H 4.000 . 5.500 3.274 2.888 3.533 . 0 0 "[ . 1 . 2]" 1
197 1 37 ILE QG 1 38 CYS H 5.200 . 5.500 3.245 2.879 3.494 . 0 0 "[ . 1 . 2]" 1
198 1 37 ILE QG 1 42 GLY H 4.600 . 5.500 4.436 4.192 4.852 . 0 0 "[ . 1 . 2]" 1
199 1 37 ILE QG 1 44 ILE HG12 3.200 . 4.500 3.126 2.049 4.220 . 0 0 "[ . 1 . 2]" 1
200 1 37 ILE QG 1 84 TYR HB2 3.600 . 5.200 3.362 2.745 4.269 . 0 0 "[ . 1 . 2]" 1
201 1 37 ILE QG 1 84 TYR HB2 5.500 . 5.500 4.573 4.064 5.124 . 0 0 "[ . 1 . 2]" 1
202 1 37 ILE QG 1 84 TYR QD 2.600 . 3.400 2.869 2.447 3.294 . 0 0 "[ . 1 . 2]" 1
203 1 37 ILE QG 1 84 TYR QE 2.300 . 3.000 2.929 2.654 2.988 . 0 0 "[ . 1 . 2]" 1
204 1 37 ILE MG 1 39 ILE H 2.200 . 2.800 2.111 1.860 2.481 . 0 0 "[ . 1 . 2]" 1
205 1 37 ILE MG 1 39 ILE HA 2.700 . 3.600 3.278 2.994 3.703 0.103 20 0 "[ . 1 . 2]" 1
206 1 37 ILE MG 1 44 ILE HG13 2.200 . 4.500 4.470 4.176 4.683 0.183 9 0 "[ . 1 . 2]" 1
207 1 37 ILE MG 1 84 TYR HB2 4.500 . 5.500 2.848 2.202 3.575 . 0 0 "[ . 1 . 2]" 1
208 1 37 ILE MG 1 82 VAL H 2.200 . 2.800 2.138 1.864 2.539 . 0 0 "[ . 1 . 2]" 1
209 1 37 ILE MG 1 84 TYR HA 2.600 . 3.400 2.781 1.969 3.412 0.012 18 0 "[ . 1 . 2]" 1
210 1 37 ILE MG 1 84 TYR HB2 2.800 . 3.800 2.920 2.207 3.717 . 0 0 "[ . 1 . 2]" 1
211 1 37 ILE MG 1 84 TYR QD 3.000 . 4.100 1.989 1.863 2.342 0.037 11 0 "[ . 1 . 2]" 1
212 1 38 CYS H 1 39 ILE H 5.500 . 5.500 3.698 3.647 3.742 . 0 0 "[ . 1 . 2]" 1
213 1 38 CYS H 1 38 CYS HA 2.700 . 3.600 2.914 2.867 2.964 . 0 0 "[ . 1 . 2]" 1
214 1 38 CYS H 1 38 CYS HB2 2.000 . 2.500 2.331 2.198 2.501 0.001 11 0 "[ . 1 . 2]" 1
215 1 38 CYS H 1 38 CYS HB3 2.300 . 3.000 2.576 2.464 2.688 . 0 0 "[ . 1 . 2]" 1
216 1 38 CYS H 1 39 ILE H 5.300 . 5.500 4.218 4.084 4.317 . 0 0 "[ . 1 . 2]" 1
217 1 38 CYS H 1 41 CYS H 5.500 . 5.500 4.856 4.652 5.124 . 0 0 "[ . 1 . 2]" 1
218 1 38 CYS H 1 42 GLY HA2 5.500 . 5.500 4.362 3.762 4.819 . 0 0 "[ . 1 . 2]" 1
219 1 38 CYS H 1 43 HIS H 3.400 . 4.800 3.139 2.412 4.285 . 0 0 "[ . 1 . 2]" 1
220 1 38 CYS H 1 44 ILE HA 3.800 . 5.500 3.588 2.828 3.841 . 0 0 "[ . 1 . 2]" 1
221 1 38 CYS H 1 81 TYR QE 3.000 . 4.100 3.124 2.649 3.726 . 0 0 "[ . 1 . 2]" 1
222 1 38 CYS H 1 82 VAL H 3.300 . 4.700 4.094 4.021 4.176 . 0 0 "[ . 1 . 2]" 1
223 1 38 CYS HA 1 39 ILE H 2.100 . 2.700 2.318 2.269 2.385 . 0 0 "[ . 1 . 2]" 1
224 1 38 CYS HA 1 39 ILE H 1.900 . 2.400 2.234 2.196 2.284 . 0 0 "[ . 1 . 2]" 1
225 1 38 CYS HA 1 39 ILE MG 3.100 . 4.300 3.675 3.482 4.008 . 0 0 "[ . 1 . 2]" 1
226 1 38 CYS HA 1 40 THR H 3.200 . 4.500 3.359 3.310 3.430 . 0 0 "[ . 1 . 2]" 1
227 1 38 CYS HA 1 41 CYS H 3.900 . 5.500 4.278 3.964 4.617 . 0 0 "[ . 1 . 2]" 1
228 1 38 CYS HA 1 42 GLY H 3.200 . 4.500 3.697 3.438 4.033 . 0 0 "[ . 1 . 2]" 1
229 1 38 CYS HA 1 81 TYR QD 2.800 . 3.800 3.300 3.121 3.543 . 0 0 "[ . 1 . 2]" 1
230 1 38 CYS HA 1 81 TYR HA 2.400 . 3.100 2.079 1.930 2.328 . 0 0 "[ . 1 . 2]" 1
231 1 38 CYS HB2 1 43 HIS H 3.100 . 4.300 3.685 3.166 4.311 0.011 18 0 "[ . 1 . 2]" 1
232 1 38 CYS HB2 1 81 TYR QE 3.400 . 4.800 3.010 2.695 3.289 . 0 0 "[ . 1 . 2]" 1
233 1 38 CYS HB3 1 40 THR MG 3.400 . 4.800 4.808 4.712 4.840 0.040 2 0 "[ . 1 . 2]" 1
234 1 38 CYS HB3 1 43 HIS H 2.300 . 3.000 2.472 2.019 3.022 0.022 9 0 "[ . 1 . 2]" 1
235 1 39 ILE H 1 39 ILE HA 2.500 . 3.300 2.811 2.786 2.822 . 0 0 "[ . 1 . 2]" 1
236 1 39 ILE H 1 39 ILE HB 2.800 . 3.800 2.891 2.394 3.553 . 0 0 "[ . 1 . 2]" 1
237 1 39 ILE H 1 39 ILE HG12 3.200 . 4.500 3.513 2.049 4.493 . 0 0 "[ . 1 . 2]" 1
238 1 39 ILE H 1 39 ILE MG 2.300 . 3.000 2.028 1.895 2.186 . 0 0 "[ . 1 . 2]" 1
239 1 39 ILE H 1 40 THR H 2.200 . 2.800 2.764 2.729 2.817 0.017 18 0 "[ . 1 . 2]" 1
240 1 39 ILE H 1 40 THR HB 5.500 . 5.500 4.725 4.573 4.865 . 0 0 "[ . 1 . 2]" 1
241 1 39 ILE H 1 41 CYS H 3.900 . 5.500 4.400 4.241 4.689 . 0 0 "[ . 1 . 2]" 1
242 1 39 ILE H 1 81 TYR HA 2.700 . 3.600 3.252 2.976 3.439 . 0 0 "[ . 1 . 2]" 1
243 1 39 ILE H 1 82 VAL QG 2.600 . 3.400 2.200 1.856 2.662 . 0 0 "[ . 1 . 2]" 1
244 1 39 ILE HA 1 39 ILE HB 2.100 . 2.700 2.459 2.409 2.524 . 0 0 "[ . 1 . 2]" 1
245 1 39 ILE HA 1 39 ILE HG12 3.200 . 4.500 3.648 3.478 3.853 . 0 0 "[ . 1 . 2]" 1
246 1 39 ILE HA 1 39 ILE MG 2.200 . 2.800 2.811 2.228 3.157 0.357 6 0 "[ . 1 . 2]" 1
247 1 39 ILE HA 1 40 THR H 2.900 . 4.000 3.474 3.461 3.489 . 0 0 "[ . 1 . 2]" 1
248 1 39 ILE HA 1 42 GLY H 5.500 . 5.500 4.096 3.613 4.409 . 0 0 "[ . 1 . 2]" 1
249 1 39 ILE HA 1 42 GLY H 3.100 . 4.300 3.554 3.356 3.738 . 0 0 "[ . 1 . 2]" 1
250 1 39 ILE HB 1 39 ILE MD 3.800 . 5.500 2.150 1.963 2.301 0.037 19 0 "[ . 1 . 2]" 1
251 1 39 ILE HB 1 39 ILE HG12 2.200 . 2.800 2.968 2.910 3.035 0.235 17 0 "[ . 1 . 2]" 1
252 1 39 ILE HB 1 39 ILE MG 2.200 . 2.800 2.116 2.096 2.146 . 0 0 "[ . 1 . 2]" 1
253 1 39 ILE HB 1 82 VAL HB 4.000 . 5.500 4.987 3.504 5.522 0.022 12 0 "[ . 1 . 2]" 1
254 1 39 ILE MD 1 39 ILE HG13 4.200 . 5.500 2.137 2.109 2.153 . 0 0 "[ . 1 . 2]" 1
255 1 39 ILE MD 1 39 ILE MG 2.000 . 2.500 2.383 2.033 2.543 0.043 10 0 "[ . 1 . 2]" 1
256 1 39 ILE HG12 1 39 ILE MG 3.100 . 4.300 2.066 1.917 2.341 . 0 0 "[ . 1 . 2]" 1
257 1 39 ILE HG12 1 40 THR H 5.400 . 5.500 3.678 2.492 4.298 . 0 0 "[ . 1 . 2]" 1
258 1 39 ILE HG12 1 40 THR HA 3.100 . 4.300 4.462 4.072 5.250 0.950 5 6 "[ * + -1 * *.* 2]" 1
259 1 39 ILE HG12 1 40 THR HA 2.400 . 4.500 3.938 3.772 4.228 . 0 0 "[ . 1 . 2]" 1
260 1 39 ILE HG13 1 40 THR HA 1.900 . 4.500 3.479 3.065 3.810 . 0 0 "[ . 1 . 2]" 1
261 1 39 ILE MG 1 40 THR H 3.500 . 5.000 2.762 1.964 3.976 0.036 13 0 "[ . 1 . 2]" 1
262 1 40 THR H 1 40 THR HA 2.800 . 3.800 2.885 2.830 2.922 . 0 0 "[ . 1 . 2]" 1
263 1 40 THR H 1 40 THR HB 2.200 . 2.800 2.317 2.231 2.497 . 0 0 "[ . 1 . 2]" 1
264 1 40 THR H 1 40 THR MG 2.900 . 4.000 3.676 3.663 3.691 . 0 0 "[ . 1 . 2]" 1
265 1 40 THR H 1 41 CYS H 2.200 . 2.800 2.582 2.422 2.806 0.006 16 0 "[ . 1 . 2]" 1
266 1 40 THR H 1 42 GLY H 3.400 . 4.800 4.137 3.896 4.300 . 0 0 "[ . 1 . 2]" 1
267 1 40 THR HA 1 40 THR MG 1.900 . 2.400 2.363 2.254 2.413 0.013 2 0 "[ . 1 . 2]" 1
268 1 40 THR HA 1 41 CYS H 3.200 . 4.500 3.538 3.516 3.585 . 0 0 "[ . 1 . 2]" 1
269 1 40 THR HB 1 40 THR MG 2.000 . 2.500 2.126 2.104 2.146 . 0 0 "[ . 1 . 2]" 1
270 1 40 THR HB 1 41 CYS H 2.200 . 2.800 2.746 2.409 2.819 0.019 3 0 "[ . 1 . 2]" 1
271 1 40 THR MG 1 41 CYS H 3.100 . 4.300 3.563 3.453 3.659 . 0 0 "[ . 1 . 2]" 1
272 1 40 THR MG 1 76 ALA MB 1.600 . 4.500 3.866 3.006 4.479 . 0 0 "[ . 1 . 2]" 1
273 1 41 CYS H 1 41 CYS HA 2.600 . 3.400 2.995 2.988 3.003 . 0 0 "[ . 1 . 2]" 1
274 1 41 CYS H 1 41 CYS HB2 2.800 . 3.800 2.900 2.168 3.799 . 0 0 "[ . 1 . 2]" 1
275 1 41 CYS H 1 41 CYS HB3 3.100 . 4.300 3.395 3.039 3.728 . 0 0 "[ . 1 . 2]" 1
276 1 41 CYS H 1 42 GLY H 2.200 . 2.800 2.119 1.901 2.323 . 0 0 "[ . 1 . 2]" 1
277 1 41 CYS H 1 42 GLY HA2 5.500 . 5.500 4.275 4.147 4.400 . 0 0 "[ . 1 . 2]" 1
278 1 41 CYS H 1 42 GLY HA2 5.500 . 5.500 3.325 2.495 3.878 . 0 0 "[ . 1 . 2]" 1
279 1 41 CYS H 1 42 GLY HA2 3.200 . 4.500 4.105 3.965 4.253 . 0 0 "[ . 1 . 2]" 1
280 1 41 CYS H 1 43 HIS H 3.200 . 4.500 3.888 3.592 4.232 . 0 0 "[ . 1 . 2]" 1
281 1 41 CYS HA 1 41 CYS HB2 2.200 . 2.800 2.793 2.475 3.012 0.212 13 0 "[ . 1 . 2]" 1
282 1 41 CYS HA 1 41 CYS HB3 2.200 . 2.800 2.539 2.433 2.694 . 0 0 "[ . 1 . 2]" 1
283 1 41 CYS HA 1 42 GLY H 3.200 . 4.500 3.573 3.499 3.592 . 0 0 "[ . 1 . 2]" 1
284 1 41 CYS HB3 1 42 GLY H 5.500 . 5.500 3.503 2.861 4.296 . 0 0 "[ . 1 . 2]" 1
285 1 42 GLY H 1 42 GLY HA2 2.000 . 2.500 2.487 2.440 2.519 0.019 20 0 "[ . 1 . 2]" 1
286 1 42 GLY H 1 42 GLY HA3 2.400 . 3.100 2.990 2.978 2.994 . 0 0 "[ . 1 . 2]" 1
287 1 42 GLY H 1 43 HIS H 2.600 . 3.400 2.100 1.936 2.767 . 0 0 "[ . 1 . 2]" 1
288 1 42 GLY HA2 1 43 HIS H 2.900 . 4.000 3.114 2.800 3.514 . 0 0 "[ . 1 . 2]" 1
289 1 42 GLY HA3 1 43 HIS H 3.100 . 4.300 3.418 3.005 3.574 . 0 0 "[ . 1 . 2]" 1
290 1 43 HIS H 1 43 HIS HA 2.400 . 3.100 2.963 2.807 2.999 . 0 0 "[ . 1 . 2]" 1
291 1 43 HIS H 1 44 ILE H 3.500 . 5.000 4.502 4.262 4.650 . 0 0 "[ . 1 . 2]" 1
292 1 43 HIS HA 1 44 ILE H 1.800 . 2.200 2.225 2.211 2.259 0.059 9 0 "[ . 1 . 2]" 1
293 1 44 ILE H 1 44 ILE HA 2.500 . 3.300 2.958 2.921 2.994 . 0 0 "[ . 1 . 2]" 1
294 1 44 ILE H 1 44 ILE HB 2.200 . 2.800 2.282 2.188 2.397 . 0 0 "[ . 1 . 2]" 1
295 1 44 ILE H 1 44 ILE HG12 2.800 . 3.800 3.961 3.664 4.207 0.407 18 0 "[ . 1 . 2]" 1
296 1 44 ILE H 1 44 ILE HG13 5.500 . 5.500 2.647 2.283 3.035 . 0 0 "[ . 1 . 2]" 1
297 1 44 ILE H 1 44 ILE MG 3.000 . 4.100 3.701 3.650 3.757 . 0 0 "[ . 1 . 2]" 1
298 1 44 ILE H 1 45 TYR H 3.600 . 5.200 4.566 4.501 4.613 . 0 0 "[ . 1 . 2]" 1
299 1 44 ILE H 1 45 TYR HA 5.000 . 5.500 5.256 5.104 5.363 . 0 0 "[ . 1 . 2]" 1
300 1 44 ILE HA 1 44 ILE HB 2.900 . 4.000 3.037 3.026 3.043 . 0 0 "[ . 1 . 2]" 1
301 1 44 ILE HA 1 44 ILE HG12 2.400 . 3.100 2.831 2.580 2.998 . 0 0 "[ . 1 . 2]" 1
302 1 44 ILE HA 1 44 ILE MG 2.300 . 3.000 2.444 2.320 2.570 . 0 0 "[ . 1 . 2]" 1
303 1 44 ILE HA 1 45 TYR H 1.800 . 2.200 2.223 2.193 2.274 0.074 9 0 "[ . 1 . 2]" 1
304 1 44 ILE HA 1 81 TYR QE 4.700 . 5.500 3.871 2.720 4.591 . 0 0 "[ . 1 . 2]" 1
305 1 44 ILE HB 1 44 ILE MD 2.300 . 3.000 2.137 1.986 2.291 . 0 0 "[ . 1 . 2]" 1
306 1 44 ILE HB 1 44 ILE HG12 2.700 . 3.600 2.970 2.917 3.025 . 0 0 "[ . 1 . 2]" 1
307 1 44 ILE HB 1 44 ILE MG 2.000 . 2.500 2.137 2.111 2.154 . 0 0 "[ . 1 . 2]" 1
308 1 44 ILE MD 1 44 ILE HG13 2.000 . 2.500 2.138 2.109 2.152 . 0 0 "[ . 1 . 2]" 1
309 1 44 ILE MD 1 44 ILE MG 2.000 . 2.500 2.374 1.945 2.544 0.044 6 0 "[ . 1 . 2]" 1
310 1 44 ILE HG12 1 45 TYR H 3.200 . 4.500 4.464 4.360 4.667 0.167 20 0 "[ . 1 . 2]" 1
311 1 44 ILE MG 1 45 TYR H 2.400 . 3.100 2.495 2.023 2.893 . 0 0 "[ . 1 . 2]" 1
312 1 44 ILE MG 1 45 TYR HB2 3.700 . 5.400 4.429 4.230 4.597 . 0 0 "[ . 1 . 2]" 1
313 1 44 ILE MG 1 46 ASP H 3.400 . 4.800 4.274 3.970 4.586 . 0 0 "[ . 1 . 2]" 1
314 1 44 ILE MG 1 46 ASP HB2 3.300 . 4.700 4.215 3.712 4.922 0.222 18 0 "[ . 1 . 2]" 1
315 1 45 TYR H 1 45 TYR HA 2.600 . 3.400 2.978 2.930 2.997 . 0 0 "[ . 1 . 2]" 1
316 1 45 TYR H 1 45 TYR HB2 2.300 . 3.000 2.852 2.640 2.982 . 0 0 "[ . 1 . 2]" 1
317 1 45 TYR H 1 45 TYR HB3 3.000 . 4.100 2.306 2.221 2.385 . 0 0 "[ . 1 . 2]" 1
318 1 45 TYR H 1 46 ASP H 4.200 . 5.500 4.498 4.399 4.579 . 0 0 "[ . 1 . 2]" 1
319 1 45 TYR H 1 81 TYR QE 2.800 . 3.800 3.277 2.538 3.811 0.011 4 0 "[ . 1 . 2]" 1
320 1 45 TYR HA 1 45 TYR HB2 3.000 . 4.100 2.434 2.414 2.450 . 0 0 "[ . 1 . 2]" 1
321 1 45 TYR HA 1 45 TYR HB3 2.400 . 3.100 3.042 3.037 3.045 . 0 0 "[ . 1 . 2]" 1
322 1 45 TYR HA 1 45 TYR QD 2.200 . 2.800 2.636 2.449 2.819 0.019 1 0 "[ . 1 . 2]" 1
323 1 45 TYR HA 1 46 ASP H 1.800 . 2.200 2.217 2.201 2.260 0.060 3 0 "[ . 1 . 2]" 1
324 1 45 TYR HB2 1 45 TYR QD 2.000 . 2.500 2.522 2.468 2.577 0.077 10 0 "[ . 1 . 2]" 1
325 1 45 TYR HB2 1 45 TYR QE 3.300 . 4.700 3.690 3.445 3.928 . 0 0 "[ . 1 . 2]" 1
326 1 45 TYR HB3 1 45 TYR QD 2.000 . 2.500 2.346 2.322 2.382 . 0 0 "[ . 1 . 2]" 1
327 1 45 TYR HB3 1 69 TRP HH2 2.200 . 4.500 3.255 3.137 3.339 . 0 0 "[ . 1 . 2]" 1
328 1 45 TYR QD 1 46 ASP H 2.700 . 3.600 3.421 3.210 3.604 0.004 20 0 "[ . 1 . 2]" 1
329 1 45 TYR QD 1 47 GLU H 3.400 . 4.800 3.742 3.344 3.996 . 0 0 "[ . 1 . 2]" 1
330 1 45 TYR QD 1 62 PHE QE 3.100 . 4.300 3.178 2.712 3.686 . 0 0 "[ . 1 . 2]" 1
331 1 45 TYR QD 1 62 PHE QE 4.600 . 5.500 3.330 2.720 3.823 . 0 0 "[ . 1 . 2]" 1
332 1 45 TYR QD 1 65 ILE MD 3.300 . 4.700 4.360 3.986 4.732 0.032 20 0 "[ . 1 . 2]" 1
333 1 45 TYR QE 1 45 TYR HH 2.200 . 2.800 2.457 2.308 2.604 . 0 0 "[ . 1 . 2]" 1
334 1 45 TYR QE 1 47 GLU H 3.400 . 4.800 3.877 3.287 4.132 . 0 0 "[ . 1 . 2]" 1
335 1 45 TYR QE 1 47 GLU HA 2.200 . 2.800 2.527 2.092 2.805 0.005 18 0 "[ . 1 . 2]" 1
336 1 45 TYR QE 1 47 GLU QB 5.500 . 5.500 3.900 3.524 4.091 . 0 0 "[ . 1 . 2]" 1
337 1 45 TYR QE 1 47 GLU QB 2.900 . 4.000 3.477 3.113 3.756 . 0 0 "[ . 1 . 2]" 1
338 1 45 TYR QE 1 50 GLY H 4.200 . 5.500 4.346 4.007 4.563 . 0 0 "[ . 1 . 2]" 1
339 1 45 TYR QE 1 50 GLY HA2 2.600 . 3.400 2.308 1.980 2.675 . 0 0 "[ . 1 . 2]" 1
340 1 45 TYR QE 1 50 GLY HA3 3.200 . 4.500 2.468 1.964 2.765 . 0 0 "[ . 1 . 2]" 1
341 1 45 TYR QE 1 51 ASP H 3.500 . 5.000 3.267 2.811 3.702 . 0 0 "[ . 1 . 2]" 1
342 1 45 TYR QE 1 51 ASP QB 2.900 . 4.000 3.935 3.581 4.340 0.340 10 0 "[ . 1 . 2]" 1
343 1 45 TYR QE 1 56 PHE QD 2.400 . 3.100 2.158 1.874 3.062 . 0 0 "[ . 1 . 2]" 1
344 1 45 TYR QE 1 60 THR HB 2.800 . 3.800 3.265 2.982 3.418 . 0 0 "[ . 1 . 2]" 1
345 1 45 TYR QE 1 61 ARG HA 2.700 . 3.600 3.413 3.085 3.620 0.020 1 0 "[ . 1 . 2]" 1
346 1 45 TYR QE 1 62 PHE H 3.000 . 4.100 3.166 2.844 3.425 . 0 0 "[ . 1 . 2]" 1
347 1 45 TYR QE 1 62 PHE HA 3.200 . 4.500 4.224 3.738 4.516 0.016 15 0 "[ . 1 . 2]" 1
348 1 45 TYR QE 1 62 PHE HB2 4.900 . 5.500 3.936 3.466 4.390 . 0 0 "[ . 1 . 2]" 1
349 1 45 TYR QE 1 62 PHE QD 3.100 . 4.300 2.951 2.351 3.918 . 0 0 "[ . 1 . 2]" 1
350 1 45 TYR QE 1 65 ILE MD 2.700 . 3.600 3.048 2.642 3.384 . 0 0 "[ . 1 . 2]" 1
351 1 45 TYR HH 1 47 GLU H 2.900 . 4.000 4.013 3.939 4.052 0.052 20 0 "[ . 1 . 2]" 1
352 1 45 TYR HH 1 50 GLY HA2 3.200 . 4.500 3.362 2.915 3.812 . 0 0 "[ . 1 . 2]" 1
353 1 45 TYR HH 1 47 GLU HA 2.600 . 3.400 2.471 2.112 2.917 . 0 0 "[ . 1 . 2]" 1
354 1 45 TYR HH 1 50 GLY HA2 5.500 . 5.500 4.035 3.055 4.917 . 0 0 "[ . 1 . 2]" 1
355 1 45 TYR HH 1 50 GLY HA3 4.200 . 5.500 3.532 2.512 4.442 . 0 0 "[ . 1 . 2]" 1
356 1 45 TYR HH 1 56 PHE QD 5.500 . 5.500 3.087 2.327 3.724 . 0 0 "[ . 1 . 2]" 1
357 1 45 TYR HH 1 60 THR H 3.200 . 4.500 4.033 3.468 4.510 0.010 20 0 "[ . 1 . 2]" 1
358 1 45 TYR HH 1 60 THR HB 2.100 . 2.700 2.419 1.991 2.714 0.014 17 0 "[ . 1 . 2]" 1
359 1 45 TYR HH 1 60 THR HG1 3.400 . 4.800 4.355 3.902 4.812 0.012 15 0 "[ . 1 . 2]" 1
360 1 45 TYR HH 1 60 THR MG 3.500 . 5.000 3.347 2.644 3.983 . 0 0 "[ . 1 . 2]" 1
361 1 45 TYR HH 1 65 ILE MD 3.300 . 4.700 3.102 2.468 3.980 . 0 0 "[ . 1 . 2]" 1
362 1 46 ASP H 1 46 ASP HB2 2.800 . 3.800 2.558 2.373 2.937 . 0 0 "[ . 1 . 2]" 1
363 1 46 ASP H 1 46 ASP HB3 2.200 . 2.800 2.899 2.500 3.689 0.889 17 5 "[ . - 1 *. +**2]" 1
364 1 46 ASP HA 1 46 ASP HB2 2.500 . 3.300 2.712 2.515 3.043 . 0 0 "[ . 1 . 2]" 1
365 1 46 ASP HA 1 46 ASP HB3 2.500 . 3.300 2.879 2.435 3.043 . 0 0 "[ . 1 . 2]" 1
366 1 46 ASP HA 1 46 ASP HB3 2.400 . 3.100 2.307 2.130 2.422 . 0 0 "[ . 1 . 2]" 1
367 1 46 ASP HA 1 47 GLU H 1.900 . 2.400 2.239 2.209 2.256 . 0 0 "[ . 1 . 2]" 1
368 1 46 ASP HB2 1 47 GLU H 5.500 . 5.500 4.554 4.353 4.658 . 0 0 "[ . 1 . 2]" 1
369 1 46 ASP HB3 1 48 ALA H 2.500 . 3.300 2.882 2.374 3.220 . 0 0 "[ . 1 . 2]" 1
370 1 46 ASP HB3 1 49 LEU QB 3.100 . 4.300 2.642 2.023 4.001 . 0 0 "[ . 1 . 2]" 1
371 1 47 GLU H 1 47 GLU HA 2.600 . 3.400 2.791 2.773 2.808 . 0 0 "[ . 1 . 2]" 1
372 1 47 GLU H 1 47 GLU QB 2.600 . 3.400 2.135 2.044 2.404 . 0 0 "[ . 1 . 2]" 1
373 1 47 GLU H 1 48 ALA H 2.600 . 3.400 2.833 2.784 2.880 . 0 0 "[ . 1 . 2]" 1
374 1 47 GLU HA 1 47 GLU QB 3.000 . 3.000 2.492 2.402 2.528 . 0 0 "[ . 1 . 2]" 1
375 1 47 GLU HA 1 48 ALA H 5.400 . 5.500 3.507 3.496 3.535 . 0 0 "[ . 1 . 2]" 1
376 1 47 GLU HA 1 60 THR H 3.400 . 4.800 3.373 3.195 3.513 . 0 0 "[ . 1 . 2]" 1
377 1 47 GLU HA 1 62 PHE H 5.500 . 5.500 4.446 4.022 4.699 . 0 0 "[ . 1 . 2]" 1
378 1 47 GLU HA 1 62 PHE QD 5.500 . 5.500 4.542 3.894 4.718 . 0 0 "[ . 1 . 2]" 1
379 1 47 GLU QB 1 48 ALA H 3.000 . 4.100 2.867 2.746 2.925 . 0 0 "[ . 1 . 2]" 1
380 1 47 GLU QB 1 61 ARG HA 2.500 . 3.300 2.986 1.934 3.248 . 0 0 "[ . 1 . 2]" 1
381 1 48 ALA H 1 48 ALA HA 2.700 . 3.600 2.957 2.906 2.981 . 0 0 "[ . 1 . 2]" 1
382 1 48 ALA H 1 48 ALA MB 1.800 . 2.200 2.084 1.957 2.208 0.008 18 0 "[ . 1 . 2]" 1
383 1 48 ALA H 1 49 LEU H 2.200 . 2.800 2.686 2.602 2.743 . 0 0 "[ . 1 . 2]" 1
384 1 48 ALA H 1 50 GLY HA2 3.600 . 5.200 4.503 4.361 4.660 . 0 0 "[ . 1 . 2]" 1
385 1 48 ALA H 1 59 GLY HA2 3.400 . 4.800 4.110 3.995 4.167 . 0 0 "[ . 1 . 2]" 1
386 1 48 ALA HA 1 48 ALA MB 2.100 . 2.700 2.135 2.119 2.153 . 0 0 "[ . 1 . 2]" 1
387 1 48 ALA HA 1 49 LEU QB 2.400 . 4.500 4.365 4.348 4.446 . 0 0 "[ . 1 . 2]" 1
388 1 48 ALA HA 1 59 GLY H 3.000 . 4.100 3.069 2.366 3.885 . 0 0 "[ . 1 . 2]" 1
389 1 48 ALA MB 1 49 LEU QB 3.300 . 4.700 3.129 3.070 3.236 . 0 0 "[ . 1 . 2]" 1
390 1 49 LEU H 1 49 LEU HA 2.600 . 3.400 2.878 2.872 2.890 . 0 0 "[ . 1 . 2]" 1
391 1 49 LEU H 1 49 LEU HA 1.900 . 2.400 2.249 2.168 2.343 . 0 0 "[ . 1 . 2]" 1
392 1 49 LEU H 1 49 LEU QB 3.000 . 3.600 2.897 2.859 3.208 . 0 0 "[ . 1 . 2]" 1
393 1 49 LEU H 1 50 GLY H 2.200 . 2.800 2.747 2.410 2.834 0.034 13 0 "[ . 1 . 2]" 1
394 1 49 LEU HA 1 49 LEU QB 2.100 . 2.700 2.490 2.210 2.525 . 0 0 "[ . 1 . 2]" 1
395 1 49 LEU HA 1 50 GLY H 1.900 . 2.400 2.301 2.190 2.389 . 0 0 "[ . 1 . 2]" 1
396 1 49 LEU QB 1 50 GLY H 4.800 . 5.500 3.990 3.932 4.031 . 0 0 "[ . 1 . 2]" 1
397 1 50 GLY H 1 50 GLY HA2 2.400 . 3.100 2.871 2.846 2.917 . 0 0 "[ . 1 . 2]" 1
398 1 50 GLY H 1 50 GLY HA3 2.600 . 3.400 2.348 2.341 2.360 . 0 0 "[ . 1 . 2]" 1
399 1 50 GLY H 1 51 ASP H 3.100 . 4.300 4.177 4.090 4.304 0.004 9 0 "[ . 1 . 2]" 1
400 1 50 GLY H 1 58 PRO HA 3.100 . 4.300 3.453 2.646 4.303 0.003 4 0 "[ . 1 . 2]" 1
401 1 50 GLY H 1 59 GLY H 3.300 . 4.700 3.921 2.972 4.710 0.010 13 0 "[ . 1 . 2]" 1
402 1 50 GLY HA2 1 51 ASP H 2.400 . 3.100 3.090 2.998 3.135 0.035 1 0 "[ . 1 . 2]" 1
403 1 50 GLY HA2 1 60 THR H 5.500 . 5.500 5.039 4.698 5.216 . 0 0 "[ . 1 . 2]" 1
404 1 50 GLY HA3 1 51 ASP H 2.000 . 2.500 2.226 2.199 2.270 . 0 0 "[ . 1 . 2]" 1
405 1 50 GLY HA3 1 51 ASP QB 5.500 . 5.500 4.097 4.045 4.263 . 0 0 "[ . 1 . 2]" 1
406 1 50 GLY HA3 1 69 TRP HE1 5.500 . 5.500 5.486 5.379 5.556 0.056 4 0 "[ . 1 . 2]" 1
407 1 51 ASP H 1 51 ASP HA 2.500 . 3.300 2.959 2.919 2.995 . 0 0 "[ . 1 . 2]" 1
408 1 51 ASP H 1 51 ASP QB 2.400 . 3.100 2.128 1.953 2.282 . 0 0 "[ . 1 . 2]" 1
409 1 51 ASP H 1 51 ASP QB 2.200 . 2.800 2.078 1.918 2.230 . 0 0 "[ . 1 . 2]" 1
410 1 51 ASP H 1 56 PHE H 2.800 . 3.800 3.811 3.344 3.922 0.122 7 0 "[ . 1 . 2]" 1
411 1 51 ASP H 1 56 PHE HB2 2.200 . 2.800 2.034 1.906 2.252 . 0 0 "[ . 1 . 2]" 1
412 1 51 ASP H 1 56 PHE HB2 2.100 . 2.700 2.013 1.894 2.229 . 0 0 "[ . 1 . 2]" 1
413 1 51 ASP H 1 56 PHE HB3 2.200 . 2.800 1.910 1.763 2.070 . 0 0 "[ . 1 . 2]" 1
414 1 51 ASP H 1 56 PHE HB3 2.100 . 2.700 1.868 1.744 2.019 . 0 0 "[ . 1 . 2]" 1
415 1 51 ASP H 1 56 PHE QD 3.500 . 5.000 2.382 1.954 3.054 0.046 4 0 "[ . 1 . 2]" 1
416 1 51 ASP HA 1 51 ASP QB 2.200 . 3.000 2.454 2.333 2.553 . 0 0 "[ . 1 . 2]" 1
417 1 51 ASP HA 1 52 GLU H 2.000 . 2.500 2.436 2.271 2.514 0.014 16 0 "[ . 1 . 2]" 1
418 1 51 ASP QB 1 52 GLU H 3.000 . 4.100 3.007 2.402 3.629 . 0 0 "[ . 1 . 2]" 1
419 1 51 ASP QB 1 53 ALA MB 5.500 . 5.500 3.838 3.149 4.541 . 0 0 "[ . 1 . 2]" 1
420 1 51 ASP QB 1 53 ALA MB 2.200 . 4.500 3.572 3.113 4.052 . 0 0 "[ . 1 . 2]" 1
421 1 51 ASP QB 1 54 GLU H 2.300 . 4.500 2.793 2.352 3.388 . 0 0 "[ . 1 . 2]" 1
422 1 51 ASP QB 1 54 GLU QB 2.600 . 3.400 2.372 1.925 2.897 . 0 0 "[ . 1 . 2]" 1
423 1 51 ASP QB 1 56 PHE H 3.000 . 4.100 3.492 2.848 4.018 . 0 0 "[ . 1 . 2]" 1
424 1 51 ASP QB 1 56 PHE QD 2.600 . 3.400 3.326 3.175 3.397 . 0 0 "[ . 1 . 2]" 1
425 1 52 GLU H 1 52 GLU HA 2.500 . 3.300 2.984 2.954 3.000 . 0 0 "[ . 1 . 2]" 1
426 1 52 GLU H 1 52 GLU QB 2.200 . 2.800 2.232 2.053 2.378 . 0 0 "[ . 1 . 2]" 1
427 1 52 GLU H 1 53 ALA H 2.600 . 3.400 2.137 1.962 2.428 . 0 0 "[ . 1 . 2]" 1
428 1 52 GLU H 1 54 GLU H 5.500 . 5.500 3.357 3.200 3.492 . 0 0 "[ . 1 . 2]" 1
429 1 52 GLU HA 1 53 ALA H 3.100 . 4.300 3.521 3.478 3.579 . 0 0 "[ . 1 . 2]" 1
430 1 52 GLU HA 1 56 PHE H 2.600 . 3.400 3.218 3.084 3.405 0.005 13 0 "[ . 1 . 2]" 1
431 1 52 GLU QB 1 53 ALA H 2.500 . 3.300 2.743 2.482 2.931 . 0 0 "[ . 1 . 2]" 1
432 1 53 ALA H 1 53 ALA HA 2.500 . 3.300 2.900 2.816 2.951 . 0 0 "[ . 1 . 2]" 1
433 1 53 ALA H 1 53 ALA MB 2.200 . 2.800 2.086 1.930 2.191 . 0 0 "[ . 1 . 2]" 1
434 1 53 ALA H 1 54 GLU H 2.400 . 3.100 2.633 2.358 2.961 . 0 0 "[ . 1 . 2]" 1
435 1 53 ALA H 1 55 GLY H 5.500 . 5.500 3.866 3.638 4.148 . 0 0 "[ . 1 . 2]" 1
436 1 53 ALA HA 1 53 ALA MB 2.100 . 2.700 2.150 2.121 2.163 . 0 0 "[ . 1 . 2]" 1
437 1 53 ALA MB 1 54 GLU H 2.600 . 3.400 2.386 2.018 2.684 . 0 0 "[ . 1 . 2]" 1
438 1 54 GLU H 1 54 GLU HA 2.500 . 3.300 2.872 2.830 2.943 . 0 0 "[ . 1 . 2]" 1
439 1 54 GLU H 1 54 GLU HA 1.900 . 2.400 2.309 2.215 2.479 0.079 8 0 "[ . 1 . 2]" 1
440 1 54 GLU H 1 54 GLU HA 2.600 . 3.400 2.422 2.290 2.643 . 0 0 "[ . 1 . 2]" 1
441 1 54 GLU H 1 54 GLU QB 2.400 . 3.100 2.223 2.056 2.445 . 0 0 "[ . 1 . 2]" 1
442 1 54 GLU H 1 55 GLY H 2.400 . 3.100 2.653 2.469 2.746 . 0 0 "[ . 1 . 2]" 1
443 1 54 GLU H 1 56 PHE H 3.000 . 4.100 3.973 3.448 4.130 0.030 8 0 "[ . 1 . 2]" 1
444 1 54 GLU HA 1 54 GLU QB 2.000 . 2.500 2.404 2.360 2.473 . 0 0 "[ . 1 . 2]" 1
445 1 54 GLU HA 1 54 GLU QB 2.000 . 2.500 2.124 2.044 2.160 . 0 0 "[ . 1 . 2]" 1
446 1 54 GLU HA 1 55 GLY H 3.000 . 4.100 3.467 3.175 3.572 . 0 0 "[ . 1 . 2]" 1
447 1 54 GLU QB 1 56 PHE QD 2.800 . 3.800 3.208 2.379 3.612 . 0 0 "[ . 1 . 2]" 1
448 1 54 GLU QB 1 56 PHE QE 3.000 . 4.100 3.840 3.432 4.057 . 0 0 "[ . 1 . 2]" 1
449 1 54 GLU QB 1 56 PHE QE 4.400 . 5.500 3.928 3.381 4.339 . 0 0 "[ . 1 . 2]" 1
450 1 54 GLU QB 1 69 TRP HE1 5.500 . 5.500 3.667 3.010 4.350 . 0 0 "[ . 1 . 2]" 1
451 1 55 GLY H 1 55 GLY HA2 2.200 . 2.800 2.420 2.344 2.539 . 0 0 "[ . 1 . 2]" 1
452 1 55 GLY H 1 55 GLY HA3 2.300 . 3.000 2.954 2.840 2.992 . 0 0 "[ . 1 . 2]" 1
453 1 55 GLY H 1 56 PHE H 2.500 . 3.300 2.223 1.931 2.694 . 0 0 "[ . 1 . 2]" 1
454 1 55 GLY HA2 1 56 PHE H 2.700 . 3.600 3.003 2.929 3.096 . 0 0 "[ . 1 . 2]" 1
455 1 55 GLY HA2 1 57 THR HB 5.500 . 5.500 5.345 4.944 5.526 0.026 4 0 "[ . 1 . 2]" 1
456 1 56 PHE H 1 56 PHE HA 2.600 . 3.400 2.911 2.874 2.942 . 0 0 "[ . 1 . 2]" 1
457 1 56 PHE H 1 56 PHE HB2 2.400 . 3.100 1.950 1.925 2.013 . 0 0 "[ . 1 . 2]" 1
458 1 56 PHE H 1 56 PHE HB3 2.500 . 3.300 3.241 3.148 3.357 0.057 17 0 "[ . 1 . 2]" 1
459 1 56 PHE H 1 57 THR H 5.500 . 5.500 3.983 3.894 4.071 . 0 0 "[ . 1 . 2]" 1
460 1 56 PHE HA 1 56 PHE HB2 2.700 . 3.600 2.919 2.870 2.983 . 0 0 "[ . 1 . 2]" 1
461 1 56 PHE HA 1 56 PHE HB3 2.500 . 3.300 2.815 2.725 2.863 . 0 0 "[ . 1 . 2]" 1
462 1 56 PHE HA 1 56 PHE QD 2.000 . 2.500 2.109 1.884 2.552 0.052 11 0 "[ . 1 . 2]" 1
463 1 56 PHE HA 1 56 PHE QE 3.300 . 4.700 4.103 4.031 4.216 . 0 0 "[ . 1 . 2]" 1
464 1 56 PHE HA 1 57 THR H 1.900 . 2.400 2.421 2.380 2.463 0.063 20 0 "[ . 1 . 2]" 1
465 1 56 PHE HA 1 60 THR HG1 3.200 . 4.500 3.325 2.145 4.034 . 0 0 "[ . 1 . 2]" 1
466 1 56 PHE HB2 1 56 PHE QD 2.400 . 3.100 2.675 2.344 2.775 . 0 0 "[ . 1 . 2]" 1
467 1 56 PHE HB2 1 57 THR H 3.800 . 5.500 4.633 4.588 4.666 . 0 0 "[ . 1 . 2]" 1
468 1 56 PHE HB3 1 56 PHE QD 2.100 . 2.700 2.426 2.302 2.781 0.081 13 0 "[ . 1 . 2]" 1
469 1 56 PHE HB3 1 57 THR H 4.100 . 5.500 4.251 4.221 4.279 . 0 0 "[ . 1 . 2]" 1
470 1 56 PHE HB3 1 60 THR HG1 3.500 . 5.000 3.582 2.889 4.225 . 0 0 "[ . 1 . 2]" 1
471 1 56 PHE HB3 1 60 THR MG 5.500 . 5.500 4.140 3.677 4.598 . 0 0 "[ . 1 . 2]" 1
472 1 56 PHE HB3 1 60 THR HG1 5.400 . 5.500 3.662 2.903 4.328 . 0 0 "[ . 1 . 2]" 1
473 1 56 PHE HB3 1 65 ILE MD 5.400 . 5.500 4.194 3.662 4.446 . 0 0 "[ . 1 . 2]" 1
474 1 56 PHE QD 1 57 THR H 3.200 . 4.500 4.200 3.613 4.557 0.057 11 0 "[ . 1 . 2]" 1
475 1 56 PHE QD 1 65 ILE MD 3.000 . 4.100 3.752 3.350 4.000 . 0 0 "[ . 1 . 2]" 1
476 1 56 PHE QD 1 65 ILE HG12 4.500 . 5.500 4.610 3.933 5.179 . 0 0 "[ . 1 . 2]" 1
477 1 56 PHE QD 1 65 ILE MG 3.900 . 5.500 4.343 4.039 4.922 . 0 0 "[ . 1 . 2]" 1
478 1 56 PHE QD 1 69 TRP HD1 3.500 . 5.000 3.295 3.079 3.692 . 0 0 "[ . 1 . 2]" 1
479 1 56 PHE QD 1 69 TRP HE1 3.700 . 5.400 3.442 3.196 3.863 . 0 0 "[ . 1 . 2]" 1
480 1 56 PHE QE 1 69 TRP HD1 2.000 . 2.500 2.332 1.896 2.517 0.017 13 0 "[ . 1 . 2]" 1
481 1 56 PHE QE 1 65 ILE MD 2.500 . 3.300 2.227 1.781 2.809 . 0 0 "[ . 1 . 2]" 1
482 1 56 PHE QE 1 65 ILE HG12 2.500 . 3.300 2.850 2.014 3.314 0.014 3 0 "[ . 1 . 2]" 1
483 1 56 PHE QE 1 65 ILE MG 2.200 . 2.800 2.496 1.991 2.823 0.023 13 0 "[ . 1 . 2]" 1
484 1 56 PHE QE 1 69 TRP H 3.500 . 5.000 4.309 4.059 4.591 . 0 0 "[ . 1 . 2]" 1
485 1 56 PHE QE 1 69 TRP HB2 3.200 . 4.500 3.141 2.472 3.920 . 0 0 "[ . 1 . 2]" 1
486 1 56 PHE QE 1 69 TRP HE1 2.800 . 3.800 3.171 1.940 3.830 0.030 12 0 "[ . 1 . 2]" 1
487 1 56 PHE HZ 1 62 PHE HA 3.400 . 4.800 4.822 4.733 4.893 0.093 2 0 "[ . 1 . 2]" 1
488 1 56 PHE HZ 1 65 ILE MD 3.700 . 5.400 2.126 1.946 2.381 0.054 2 0 "[ . 1 . 2]" 1
489 1 56 PHE HZ 1 65 ILE HG12 3.500 . 5.000 2.522 1.960 3.268 0.040 2 0 "[ . 1 . 2]" 1
490 1 56 PHE HZ 1 65 ILE MG 2.600 . 3.400 2.139 1.781 3.139 0.019 17 0 "[ . 1 . 2]" 1
491 1 56 PHE HZ 1 69 TRP HD1 2.600 . 3.400 3.341 3.083 3.468 0.068 8 0 "[ . 1 . 2]" 1
492 1 56 PHE HZ 1 69 TRP HE1 3.000 . 4.100 3.929 3.407 4.112 0.012 14 0 "[ . 1 . 2]" 1
493 1 57 THR H 1 57 THR HA 2.600 . 3.400 2.792 2.770 2.837 . 0 0 "[ . 1 . 2]" 1
494 1 57 THR H 1 57 THR HB 1.800 . 2.200 2.271 2.259 2.290 0.090 10 0 "[ . 1 . 2]" 1
495 1 57 THR H 1 57 THR MG 2.000 . 2.500 2.180 2.036 2.323 . 0 0 "[ . 1 . 2]" 1
496 1 57 THR H 1 60 THR HG1 3.200 . 4.500 3.535 2.688 4.244 . 0 0 "[ . 1 . 2]" 1
497 1 57 THR HA 1 57 THR MG 2.400 . 3.100 3.190 3.181 3.197 0.097 10 0 "[ . 1 . 2]" 1
498 1 57 THR HB 1 57 THR MG 2.200 . 2.800 2.130 2.105 2.147 . 0 0 "[ . 1 . 2]" 1
499 1 58 PRO HA 1 59 GLY H 2.200 . 2.800 2.248 2.211 2.414 . 0 0 "[ . 1 . 2]" 1
500 1 58 PRO HA 1 59 GLY H 1.900 . 2.400 2.042 1.987 2.097 . 0 0 "[ . 1 . 2]" 1
501 1 58 PRO HA 1 59 GLY HA2 3.200 . 4.500 3.809 2.526 3.983 . 0 0 "[ . 1 . 2]" 1
502 1 58 PRO HA 1 60 THR H 3.000 . 4.100 3.868 3.627 4.131 0.031 14 0 "[ . 1 . 2]" 1
503 1 58 PRO HA 1 60 THR H 2.800 . 3.800 3.460 3.276 3.686 . 0 0 "[ . 1 . 2]" 1
504 1 59 GLY H 1 59 GLY HA2 2.200 . 2.800 2.567 2.490 2.713 . 0 0 "[ . 1 . 2]" 1
505 1 59 GLY H 1 59 GLY HA3 2.300 . 3.000 2.984 2.942 2.994 . 0 0 "[ . 1 . 2]" 1
506 1 59 GLY H 1 60 THR H 2.200 . 2.800 2.015 1.924 2.331 . 0 0 "[ . 1 . 2]" 1
507 1 59 GLY HA2 1 60 THR H 2.300 . 3.000 2.515 2.402 2.617 . 0 0 "[ . 1 . 2]" 1
508 1 60 THR H 1 60 THR HA 2.200 . 2.800 2.439 2.309 2.700 . 0 0 "[ . 1 . 2]" 1
509 1 60 THR H 1 60 THR HG1 2.400 . 3.100 2.565 2.130 3.034 . 0 0 "[ . 1 . 2]" 1
510 1 60 THR H 1 60 THR MG 4.600 . 5.500 3.621 3.514 3.759 . 0 0 "[ . 1 . 2]" 1
511 1 60 THR H 1 61 ARG H 3.200 . 4.500 3.649 3.375 3.913 . 0 0 "[ . 1 . 2]" 1
512 1 60 THR HA 1 60 THR MG 1.900 . 2.400 1.938 1.856 2.001 . 0 0 "[ . 1 . 2]" 1
513 1 60 THR HA 1 61 ARG H 1.800 . 2.200 2.214 2.205 2.235 0.035 1 0 "[ . 1 . 2]" 1
514 1 60 THR HA 1 61 ARG QB 2.500 . 4.500 4.197 3.968 4.349 . 0 0 "[ . 1 . 2]" 1
515 1 60 THR HB 1 60 THR HG1 2.200 . 2.800 2.192 2.080 2.830 0.030 6 0 "[ . 1 . 2]" 1
516 1 60 THR HG1 1 60 THR MG 4.800 . 5.500 2.764 2.004 3.026 . 0 0 "[ . 1 . 2]" 1
517 1 60 THR HG1 1 61 ARG H 3.800 . 5.500 5.294 4.752 5.468 . 0 0 "[ . 1 . 2]" 1
518 1 60 THR MG 1 61 ARG H 2.900 . 4.000 2.757 2.402 3.377 . 0 0 "[ . 1 . 2]" 1
519 1 60 THR MG 1 64 ASP HB3 5.400 . 5.500 3.550 3.089 4.219 . 0 0 "[ . 1 . 2]" 1
520 1 60 THR MG 1 65 ILE HA 3.400 . 4.800 4.142 3.294 4.811 0.011 12 0 "[ . 1 . 2]" 1
521 1 60 THR MG 1 65 ILE MD 2.500 . 3.300 2.314 1.937 3.177 . 0 0 "[ . 1 . 2]" 1
522 1 61 ARG H 1 61 ARG QB 3.000 . 3.100 2.387 2.078 2.830 . 0 0 "[ . 1 . 2]" 1
523 1 61 ARG H 1 62 PHE H 3.900 . 5.500 4.546 4.490 4.644 . 0 0 "[ . 1 . 2]" 1
524 1 61 ARG H 1 64 ASP HB2 3.200 . 4.500 3.340 2.583 4.372 . 0 0 "[ . 1 . 2]" 1
525 1 61 ARG HA 1 61 ARG QB 2.500 . 3.300 2.380 2.210 2.536 . 0 0 "[ . 1 . 2]" 1
526 1 61 ARG HA 1 62 PHE H 2.000 . 2.500 2.272 2.233 2.315 . 0 0 "[ . 1 . 2]" 1
527 1 61 ARG QB 1 62 PHE H . . 5.000 3.209 2.893 3.723 . 0 0 "[ . 1 . 2]" 1
528 1 61 ARG QB 1 63 GLU H 5.500 . 5.500 3.040 2.480 3.805 . 0 0 "[ . 1 . 2]" 1
529 1 61 ARG QB 1 64 ASP H 5.100 . 5.500 2.981 2.444 3.620 . 0 0 "[ . 1 . 2]" 1
530 1 62 PHE H 1 62 PHE HA 2.500 . 3.300 2.798 2.778 2.845 . 0 0 "[ . 1 . 2]" 1
531 1 62 PHE H 1 62 PHE HB2 2.100 . 2.700 1.956 1.940 2.028 . 0 0 "[ . 1 . 2]" 1
532 1 62 PHE H 1 62 PHE HB3 2.600 . 3.400 3.165 2.920 3.308 . 0 0 "[ . 1 . 2]" 1
533 1 62 PHE H 1 62 PHE QD 3.000 . 4.100 3.221 2.826 3.911 . 0 0 "[ . 1 . 2]" 1
534 1 62 PHE H 1 63 GLU H 2.500 . 3.300 2.899 2.712 3.045 . 0 0 "[ . 1 . 2]" 1
535 1 62 PHE H 1 64 ASP H 5.500 . 5.500 4.394 4.037 4.803 . 0 0 "[ . 1 . 2]" 1
536 1 62 PHE H 1 65 ILE MD 4.000 . 5.500 3.106 2.874 3.703 . 0 0 "[ . 1 . 2]" 1
537 1 62 PHE HA 1 62 PHE HB3 2.700 . 3.600 2.913 2.837 2.993 . 0 0 "[ . 1 . 2]" 1
538 1 62 PHE HA 1 62 PHE QD 2.500 . 3.300 2.413 1.960 2.915 . 0 0 "[ . 1 . 2]" 1
539 1 62 PHE HA 1 62 PHE QE 4.100 . 5.500 4.182 4.051 4.387 . 0 0 "[ . 1 . 2]" 1
540 1 62 PHE HA 1 63 GLU H 2.700 . 3.600 3.565 3.508 3.593 . 0 0 "[ . 1 . 2]" 1
541 1 62 PHE HA 1 65 ILE H 2.600 . 3.400 3.297 2.835 3.452 0.052 10 0 "[ . 1 . 2]" 1
542 1 62 PHE HA 1 65 ILE HB 2.600 . 3.400 2.208 2.043 2.334 . 0 0 "[ . 1 . 2]" 1
543 1 62 PHE HA 1 65 ILE MD 2.200 . 2.800 1.884 1.818 2.010 . 0 0 "[ . 1 . 2]" 1
544 1 62 PHE HA 1 65 ILE HG12 3.200 . 4.500 4.050 3.475 4.297 . 0 0 "[ . 1 . 2]" 1
545 1 62 PHE HA 1 65 ILE HG13 2.800 . 3.800 3.087 2.034 3.707 . 0 0 "[ . 1 . 2]" 1
546 1 62 PHE HA 1 65 ILE MG 2.600 . 3.400 3.422 3.308 3.477 0.077 11 0 "[ . 1 . 2]" 1
547 1 62 PHE HB2 1 62 PHE QD 2.500 . 3.300 2.625 2.303 2.753 . 0 0 "[ . 1 . 2]" 1
548 1 62 PHE HB2 1 63 GLU H 4.200 . 5.500 3.219 2.965 3.557 . 0 0 "[ . 1 . 2]" 1
549 1 62 PHE HB3 1 62 PHE QD 2.400 . 3.100 2.349 2.300 2.668 . 0 0 "[ . 1 . 2]" 1
550 1 62 PHE QD 1 63 GLU H 4.200 . 5.500 4.482 4.112 4.649 . 0 0 "[ . 1 . 2]" 1
551 1 62 PHE QD 1 65 ILE MD 2.300 . 3.000 2.465 1.870 3.012 0.012 19 0 "[ . 1 . 2]" 1
552 1 62 PHE QD 1 65 ILE HG12 5.500 . 5.500 5.175 4.568 5.451 . 0 0 "[ . 1 . 2]" 1
553 1 62 PHE QD 1 69 TRP HZ3 3.300 . 4.700 4.630 4.247 4.755 0.055 8 0 "[ . 1 . 2]" 1
554 1 62 PHE QE 1 65 ILE MD 2.900 . 4.000 3.413 3.002 3.684 . 0 0 "[ . 1 . 2]" 1
555 1 62 PHE QE 1 65 ILE MG 4.100 . 5.500 3.874 2.860 4.297 . 0 0 "[ . 1 . 2]" 1
556 1 62 PHE QE 1 69 TRP HZ3 2.700 . 3.600 2.685 2.275 3.070 . 0 0 "[ . 1 . 2]" 1
557 1 62 PHE QE 1 78 LYS HA 3.200 . 4.500 3.033 1.962 4.053 . 0 0 "[ . 1 . 2]" 1
558 1 62 PHE QE 1 78 LYS QB 3.700 . 5.400 2.573 1.998 4.006 0.002 14 0 "[ . 1 . 2]" 1
559 1 62 PHE QE 1 81 TYR H 4.100 . 5.500 4.763 4.035 5.291 . 0 0 "[ . 1 . 2]" 1
560 1 62 PHE QE 1 81 TYR HB2 2.700 . 3.600 3.145 2.405 3.613 0.013 13 0 "[ . 1 . 2]" 1
561 1 62 PHE QE 1 81 TYR HB3 3.000 . 4.100 2.947 2.504 3.573 . 0 0 "[ . 1 . 2]" 1
562 1 62 PHE HZ 1 69 TRP HZ3 3.100 . 4.300 2.007 1.933 2.500 . 0 0 "[ . 1 . 2]" 1
563 1 62 PHE HZ 1 78 LYS HA 2.600 . 3.400 3.181 2.414 3.420 0.020 18 0 "[ . 1 . 2]" 1
564 1 62 PHE HZ 1 78 LYS QB 4.400 . 5.500 3.955 2.883 4.493 . 0 0 "[ . 1 . 2]" 1
565 1 62 PHE HZ 1 81 TYR H 5.500 . 5.500 4.824 4.340 5.195 . 0 0 "[ . 1 . 2]" 1
566 1 62 PHE HZ 1 81 TYR HA 3.900 . 5.500 5.156 4.515 5.514 0.014 8 0 "[ . 1 . 2]" 1
567 1 62 PHE HZ 1 81 TYR HB2 2.600 . 3.400 2.879 2.382 3.207 . 0 0 "[ . 1 . 2]" 1
568 1 62 PHE HZ 1 81 TYR HB3 3.200 . 4.500 2.971 2.307 3.537 . 0 0 "[ . 1 . 2]" 1
569 1 62 PHE HZ 1 81 TYR QD 2.800 . 3.800 3.119 2.536 3.610 . 0 0 "[ . 1 . 2]" 1
570 1 63 GLU H 1 63 GLU HA 2.600 . 3.400 2.820 2.800 2.851 . 0 0 "[ . 1 . 2]" 1
571 1 63 GLU H 1 63 GLU HB2 2.200 . 2.800 2.437 2.309 2.496 . 0 0 "[ . 1 . 2]" 1
572 1 63 GLU H 1 63 GLU HB3 2.200 . 2.800 2.423 2.360 2.538 . 0 0 "[ . 1 . 2]" 1
573 1 63 GLU H 1 64 ASP H 2.600 . 3.400 2.807 2.698 2.912 . 0 0 "[ . 1 . 2]" 1
574 1 63 GLU H 1 64 ASP HA 5.500 . 5.500 5.456 5.380 5.517 0.017 1 0 "[ . 1 . 2]" 1
575 1 63 GLU HA 1 63 GLU HB2 1.900 . 2.400 2.447 2.436 2.486 0.086 9 0 "[ . 1 . 2]" 1
576 1 63 GLU HA 1 63 GLU HB3 2.600 . 3.400 3.038 3.035 3.040 . 0 0 "[ . 1 . 2]" 1
577 1 63 GLU HA 1 64 ASP H 5.000 . 5.500 3.548 3.487 3.591 . 0 0 "[ . 1 . 2]" 1
578 1 63 GLU HA 1 65 ILE H 3.100 . 4.300 3.923 3.649 4.324 0.024 2 0 "[ . 1 . 2]" 1
579 1 63 GLU HB2 1 64 ASP H 3.100 . 4.300 3.891 3.679 4.101 . 0 0 "[ . 1 . 2]" 1
580 1 63 GLU HB3 1 64 ASP H 2.600 . 3.400 2.579 2.206 2.939 . 0 0 "[ . 1 . 2]" 1
581 1 64 ASP H 1 64 ASP HA 2.700 . 3.600 2.940 2.858 2.999 . 0 0 "[ . 1 . 2]" 1
582 1 64 ASP H 1 64 ASP HB2 2.200 . 2.800 2.260 1.943 2.578 . 0 0 "[ . 1 . 2]" 1
583 1 64 ASP H 1 64 ASP HB3 2.700 . 3.600 2.912 2.396 3.581 . 0 0 "[ . 1 . 2]" 1
584 1 64 ASP H 1 65 ILE H 2.200 . 2.800 2.543 2.191 2.663 . 0 0 "[ . 1 . 2]" 1
585 1 64 ASP H 1 65 ILE HB 4.200 . 5.500 4.398 4.111 4.694 . 0 0 "[ . 1 . 2]" 1
586 1 64 ASP H 1 65 ILE MD 4.600 . 5.500 4.024 3.767 4.240 . 0 0 "[ . 1 . 2]" 1
587 1 64 ASP H 1 65 ILE HG13 5.500 . 5.500 3.712 3.248 4.232 . 0 0 "[ . 1 . 2]" 1
588 1 64 ASP HA 1 64 ASP HB2 2.200 . 2.800 2.361 2.249 2.503 . 0 0 "[ . 1 . 2]" 1
589 1 64 ASP HA 1 64 ASP HB3 2.300 . 3.000 2.912 2.570 3.042 0.042 4 0 "[ . 1 . 2]" 1
590 1 64 ASP HA 1 65 ILE H 3.900 . 5.500 3.332 3.111 3.521 . 0 0 "[ . 1 . 2]" 1
591 1 64 ASP HB2 1 65 ILE H 5.400 . 5.500 3.932 2.964 4.405 . 0 0 "[ . 1 . 2]" 1
592 1 65 ILE H 1 65 ILE HA 2.300 . 3.000 2.952 2.841 3.003 0.003 13 0 "[ . 1 . 2]" 1
593 1 65 ILE H 1 65 ILE HB 2.000 . 2.500 2.318 2.173 2.439 . 0 0 "[ . 1 . 2]" 1
594 1 65 ILE H 1 65 ILE HG13 2.400 . 3.100 2.563 2.085 2.861 . 0 0 "[ . 1 . 2]" 1
595 1 65 ILE HA 1 65 ILE MD 3.400 . 4.800 3.810 3.694 3.851 . 0 0 "[ . 1 . 2]" 1
596 1 65 ILE HA 1 65 ILE HG12 2.400 . 3.100 2.553 2.262 2.760 . 0 0 "[ . 1 . 2]" 1
597 1 65 ILE HA 1 65 ILE HG13 2.900 . 4.000 2.805 2.629 3.059 . 0 0 "[ . 1 . 2]" 1
598 1 65 ILE HA 1 65 ILE MG 2.400 . 3.100 2.480 2.372 2.589 . 0 0 "[ . 1 . 2]" 1
599 1 65 ILE HB 1 65 ILE MD 2.400 . 3.100 2.292 2.223 2.417 . 0 0 "[ . 1 . 2]" 1
600 1 65 ILE HB 1 65 ILE HG12 2.300 . 3.000 3.020 2.998 3.030 0.030 19 0 "[ . 1 . 2]" 1
601 1 65 ILE HB 1 65 ILE HG13 2.400 . 3.100 2.538 2.404 2.649 . 0 0 "[ . 1 . 2]" 1
602 1 65 ILE HB 1 65 ILE MG 2.000 . 2.500 2.136 2.107 2.152 . 0 0 "[ . 1 . 2]" 1
603 1 65 ILE MD 1 65 ILE HG12 2.100 . 2.700 2.127 2.112 2.149 . 0 0 "[ . 1 . 2]" 1
604 1 65 ILE MD 1 65 ILE HG13 2.200 . 2.800 2.128 2.116 2.149 . 0 0 "[ . 1 . 2]" 1
605 1 65 ILE MD 1 65 ILE MG 2.000 . 2.500 2.027 1.907 2.214 . 0 0 "[ . 1 . 2]" 1
606 1 65 ILE MD 1 69 TRP HE1 5.500 . 5.500 4.821 3.826 5.381 . 0 0 "[ . 1 . 2]" 1
607 1 65 ILE MD 1 69 TRP HZ3 4.000 . 5.500 4.836 3.658 5.521 0.021 13 0 "[ . 1 . 2]" 1
608 1 65 ILE HG12 1 65 ILE MG 2.400 . 3.100 2.245 2.134 2.455 . 0 0 "[ . 1 . 2]" 1
609 1 65 ILE HG13 1 65 ILE MG 2.600 . 3.400 3.174 3.140 3.203 . 0 0 "[ . 1 . 2]" 1
610 1 65 ILE MG 1 69 TRP H 3.100 . 4.300 3.235 2.666 4.344 0.044 17 0 "[ . 1 . 2]" 1
611 1 65 ILE MG 1 69 TRP HA 3.400 . 4.800 4.259 3.838 4.645 . 0 0 "[ . 1 . 2]" 1
612 1 65 ILE MG 1 69 TRP HB2 2.400 . 3.100 2.412 1.945 2.802 . 0 0 "[ . 1 . 2]" 1
613 1 65 ILE MG 1 69 TRP HB3 2.400 . 3.100 2.058 1.820 2.859 . 0 0 "[ . 1 . 2]" 1
614 1 65 ILE MG 1 69 TRP HD1 3.200 . 4.500 3.937 3.359 4.469 . 0 0 "[ . 1 . 2]" 1
615 1 65 ILE MG 1 69 TRP HZ3 4.400 . 5.500 4.425 3.129 5.520 0.020 10 0 "[ . 1 . 2]" 1
616 1 68 ASP H 1 68 ASP HA 2.400 . 3.100 2.790 2.354 2.991 . 0 0 "[ . 1 . 2]" 1
617 1 68 ASP H 1 68 ASP HB2 2.600 . 3.400 2.475 1.963 3.630 0.230 20 0 "[ . 1 . 2]" 1
618 1 68 ASP H 1 68 ASP HB3 3.300 . 4.700 3.141 2.396 3.790 . 0 0 "[ . 1 . 2]" 1
619 1 68 ASP H 1 69 TRP H 2.400 . 3.100 2.741 1.944 3.120 0.020 8 0 "[ . 1 . 2]" 1
620 1 68 ASP HA 1 68 ASP HB2 2.300 . 3.000 2.724 2.493 3.036 0.036 7 0 "[ . 1 . 2]" 1
621 1 68 ASP HA 1 68 ASP HB3 2.600 . 3.400 2.886 2.468 3.043 . 0 0 "[ . 1 . 2]" 1
622 1 68 ASP HA 1 69 TRP H 2.700 . 3.600 3.345 2.839 3.593 . 0 0 "[ . 1 . 2]" 1
623 1 68 ASP HB2 1 69 TRP H 5.500 . 5.500 3.730 2.513 4.599 . 0 0 "[ . 1 . 2]" 1
624 1 68 ASP HB2 1 69 TRP HA 3.200 . 4.500 4.037 3.732 4.823 0.323 10 0 "[ . 1 . 2]" 1
625 1 68 ASP HB3 1 69 TRP HA 3.000 . 4.100 2.983 2.938 3.033 . 0 0 "[ . 1 . 2]" 1
626 1 69 TRP H 1 69 TRP HA 2.600 . 3.400 2.891 2.803 2.993 . 0 0 "[ . 1 . 2]" 1
627 1 69 TRP H 1 69 TRP HB2 2.200 . 2.800 2.576 2.431 2.840 0.040 17 0 "[ . 1 . 2]" 1
628 1 69 TRP H 1 69 TRP HB3 2.200 . 2.800 2.354 2.245 2.439 . 0 0 "[ . 1 . 2]" 1
629 1 69 TRP H 1 69 TRP HE3 4.000 . 5.500 4.514 4.317 4.750 . 0 0 "[ . 1 . 2]" 1
630 1 69 TRP HA 1 69 TRP HB2 2.300 . 3.000 2.452 2.418 2.475 . 0 0 "[ . 1 . 2]" 1
631 1 69 TRP HA 1 69 TRP HB3 2.600 . 3.400 3.041 3.035 3.043 . 0 0 "[ . 1 . 2]" 1
632 1 69 TRP HA 1 69 TRP HD1 2.500 . 3.300 3.036 2.736 3.277 . 0 0 "[ . 1 . 2]" 1
633 1 69 TRP HA 1 70 CYS H 2.200 . 2.800 2.350 2.243 2.483 . 0 0 "[ . 1 . 2]" 1
634 1 69 TRP HA 1 70 CYS QB 5.500 . 5.500 2.369 1.907 2.932 . 0 0 "[ . 1 . 2]" 1
635 1 69 TRP HB2 1 69 TRP HD1 2.300 . 3.000 2.683 2.612 2.805 . 0 0 "[ . 1 . 2]" 1
636 1 69 TRP HD1 1 70 CYS H 2.800 . 3.800 3.544 3.177 3.807 0.007 13 0 "[ . 1 . 2]" 1
637 1 69 TRP HE1 1 70 CYS H 5.500 . 5.500 4.176 3.807 4.580 . 0 0 "[ . 1 . 2]" 1
638 1 69 TRP HE1 1 71 CYS HA 5.500 . 5.500 5.502 5.393 5.530 0.030 20 0 "[ . 1 . 2]" 1
639 1 69 TRP HH2 1 71 CYS HA 3.900 . 5.500 3.863 3.391 4.428 . 0 0 "[ . 1 . 2]" 1
640 1 69 TRP HZ2 1 71 CYS HA 5.500 . 5.500 3.944 3.732 4.244 . 0 0 "[ . 1 . 2]" 1
641 1 69 TRP HZ3 1 71 CYS HA 3.900 . 5.500 4.949 4.374 5.478 . 0 0 "[ . 1 . 2]" 1
642 1 69 TRP HZ3 1 78 LYS HA 3.500 . 5.000 3.834 2.928 4.502 . 0 0 "[ . 1 . 2]" 1
643 1 69 TRP HZ3 1 81 TYR QD 3.400 . 4.800 3.022 2.463 3.315 . 0 0 "[ . 1 . 2]" 1
644 1 69 TRP HZ3 1 81 TYR QE 3.000 . 4.100 3.505 2.727 4.108 0.008 2 0 "[ . 1 . 2]" 1
645 1 70 CYS H 1 70 CYS HA 2.800 . 3.800 2.962 2.889 3.002 . 0 0 "[ . 1 . 2]" 1
646 1 70 CYS H 1 70 CYS QB 2.700 . 3.600 2.800 2.407 3.271 . 0 0 "[ . 1 . 2]" 1
647 1 70 CYS HA 1 70 CYS QB 2.400 . 3.100 2.346 2.209 2.537 . 0 0 "[ . 1 . 2]" 1
648 1 70 CYS HA 1 71 CYS H 2.200 . 2.800 2.726 2.514 2.818 0.018 4 0 "[ . 1 . 2]" 1
649 1 70 CYS QB 1 71 CYS H 2.600 . 3.400 2.041 1.906 2.426 . 0 0 "[ . 1 . 2]" 1
650 1 70 CYS QB 1 71 CYS HA 4.100 . 5.500 2.484 1.908 4.097 0.092 14 0 "[ . 1 . 2]" 1
651 1 70 CYS QB 1 71 CYS HB2 5.500 . 5.500 3.901 3.724 4.097 . 0 0 "[ . 1 . 2]" 1
652 1 70 CYS QB 1 75 GLY QA 4.400 . 5.500 2.546 1.910 5.063 0.090 14 0 "[ . 1 . 2]" 1
653 1 71 CYS H 1 71 CYS HB2 2.400 . 3.100 2.029 1.839 2.229 . 0 0 "[ . 1 . 2]" 1
654 1 71 CYS H 1 71 CYS HB3 2.900 . 4.000 2.745 2.512 2.979 . 0 0 "[ . 1 . 2]" 1
655 1 71 CYS H 1 74 CYS H 3.500 . 5.000 3.890 2.897 4.109 . 0 0 "[ . 1 . 2]" 1
656 1 71 CYS H 1 81 TYR QE 3.000 . 4.100 3.718 3.183 4.089 . 0 0 "[ . 1 . 2]" 1
657 1 71 CYS HA 1 81 TYR QE 2.500 . 3.300 2.463 1.953 3.016 . 0 0 "[ . 1 . 2]" 1
658 1 71 CYS HB2 1 73 ASP H 2.400 . 4.500 4.330 4.071 4.521 0.021 13 0 "[ . 1 . 2]" 1
659 1 71 CYS HB2 1 75 GLY H 2.400 . 3.100 2.758 2.442 3.009 . 0 0 "[ . 1 . 2]" 1
660 1 71 CYS HB2 1 76 ALA H 2.200 . 2.800 2.713 2.174 2.818 0.018 5 0 "[ . 1 . 2]" 1
661 1 71 CYS HB2 1 81 TYR QE 2.400 . 3.100 2.891 2.434 3.138 0.038 20 0 "[ . 1 . 2]" 1
662 1 71 CYS HB3 1 73 ASP H 2.700 . 3.600 2.737 2.361 3.181 . 0 0 "[ . 1 . 2]" 1
663 1 71 CYS HB3 1 74 CYS H 3.000 . 4.100 2.204 1.929 2.517 . 0 0 "[ . 1 . 2]" 1
664 1 71 CYS HB3 1 75 GLY H 2.800 . 3.800 2.210 1.934 2.894 . 0 0 "[ . 1 . 2]" 1
665 1 71 CYS HB3 1 76 ALA H 2.900 . 4.000 3.379 2.674 4.004 0.004 10 0 "[ . 1 . 2]" 1
666 1 73 ASP H 1 74 CYS H 2.200 . 2.800 2.243 1.941 2.812 0.012 10 0 "[ . 1 . 2]" 1
667 1 74 CYS H 1 74 CYS HA 2.600 . 3.400 2.985 2.933 3.003 . 0 0 "[ . 1 . 2]" 1
668 1 74 CYS H 1 74 CYS HB2 2.900 . 4.000 2.641 2.219 3.938 . 0 0 "[ . 1 . 2]" 1
669 1 74 CYS H 1 74 CYS HB3 3.200 . 4.500 3.654 2.953 3.867 . 0 0 "[ . 1 . 2]" 1
670 1 74 CYS H 1 75 GLY H 2.100 . 2.700 2.421 1.923 2.735 0.035 2 0 "[ . 1 . 2]" 1
671 1 74 CYS H 1 76 ALA H 3.200 . 4.500 4.369 2.926 4.527 0.027 17 0 "[ . 1 . 2]" 1
672 1 74 CYS HA 1 74 CYS HB2 2.300 . 3.000 2.978 2.517 3.039 0.039 1 0 "[ . 1 . 2]" 1
673 1 74 CYS HA 1 74 CYS HB3 2.400 . 3.100 2.557 2.441 3.001 . 0 0 "[ . 1 . 2]" 1
674 1 74 CYS HA 1 75 GLY H 3.300 . 4.700 3.575 3.560 3.590 . 0 0 "[ . 1 . 2]" 1
675 1 74 CYS HB2 1 75 GLY QA 2.500 . 4.500 4.191 4.003 5.088 0.588 10 1 "[ . + . 2]" 1
676 1 74 CYS HB2 1 76 ALA H 2.800 . 3.800 2.859 2.529 3.399 . 0 0 "[ . 1 . 2]" 1
677 1 75 GLY H 1 75 GLY QA 2.400 . 3.000 2.347 2.246 2.419 . 0 0 "[ . 1 . 2]" 1
678 1 75 GLY H 1 76 ALA H 2.600 . 3.400 2.129 1.929 2.683 . 0 0 "[ . 1 . 2]" 1
679 1 75 GLY H 1 81 TYR QE 3.800 . 5.500 4.756 4.460 4.930 . 0 0 "[ . 1 . 2]" 1
680 1 75 GLY QA 1 76 ALA H 2.400 . 3.100 2.552 2.223 2.598 . 0 0 "[ . 1 . 2]" 1
681 1 76 ALA H 1 76 ALA HA 2.300 . 3.000 2.960 2.357 3.003 0.003 16 0 "[ . 1 . 2]" 1
682 1 76 ALA H 1 76 ALA MB 2.100 . 2.700 2.247 2.045 2.782 0.082 13 0 "[ . 1 . 2]" 1
683 1 76 ALA HA 1 76 ALA MB 1.900 . 2.400 2.139 2.119 2.156 . 0 0 "[ . 1 . 2]" 1
684 1 76 ALA HA 1 77 THR H 2.100 . 2.700 2.611 2.382 2.897 0.197 12 0 "[ . 1 . 2]" 1
685 1 76 ALA MB 1 77 THR H 2.600 . 3.400 2.396 1.995 3.550 0.150 12 0 "[ . 1 . 2]" 1
686 1 76 ALA MB 1 78 LYS H 5.200 . 5.500 5.470 5.372 5.603 0.103 13 0 "[ . 1 . 2]" 1
687 1 77 THR H 1 77 THR HA 2.600 . 3.400 2.896 2.366 3.001 . 0 0 "[ . 1 . 2]" 1
688 1 77 THR H 1 77 THR HB 2.900 . 4.000 3.604 3.429 3.977 . 0 0 "[ . 1 . 2]" 1
689 1 77 THR H 1 77 THR MG 2.400 . 3.100 2.421 2.022 3.104 0.004 13 0 "[ . 1 . 2]" 1
690 1 77 THR HA 1 77 THR MG 2.300 . 3.000 2.316 2.028 2.445 . 0 0 "[ . 1 . 2]" 1
691 1 77 THR HA 1 78 LYS H 2.200 . 2.800 2.767 2.571 2.877 0.077 12 0 "[ . 1 . 2]" 1
692 1 77 THR HA 1 79 GLU H 4.000 . 5.500 4.257 4.159 4.567 . 0 0 "[ . 1 . 2]" 1
693 1 77 THR HB 1 77 THR MG 1.900 . 2.400 2.127 2.106 2.150 . 0 0 "[ . 1 . 2]" 1
694 1 77 THR HB 1 78 LYS H 2.000 . 2.500 2.036 1.928 2.295 . 0 0 "[ . 1 . 2]" 1
695 1 77 THR HB 1 79 GLU H 2.600 . 3.400 3.065 2.434 3.400 . 0 0 "[ . 1 . 2]" 1
696 1 77 THR MG 1 78 LYS H 4.700 . 5.500 3.546 2.658 3.729 . 0 0 "[ . 1 . 2]" 1
697 1 77 THR MG 1 79 GLU H 3.000 . 4.100 4.112 3.628 4.203 0.103 20 0 "[ . 1 . 2]" 1
698 1 78 LYS H 1 78 LYS HA 2.400 . 3.100 2.878 2.796 3.002 . 0 0 "[ . 1 . 2]" 1
699 1 78 LYS H 1 78 LYS QB 2.800 . 3.100 2.255 2.113 2.475 . 0 0 "[ . 1 . 2]" 1
700 1 78 LYS H 1 79 GLU H 2.600 . 3.400 2.614 1.916 2.733 . 0 0 "[ . 1 . 2]" 1
701 1 78 LYS HA 1 78 LYS QB 2.200 . 2.800 2.368 2.203 2.444 . 0 0 "[ . 1 . 2]" 1
702 1 78 LYS HA 1 79 GLU H 3.000 . 4.100 3.455 3.369 3.517 . 0 0 "[ . 1 . 2]" 1
703 1 78 LYS HA 1 79 GLU H 3.300 . 4.700 3.236 3.128 3.324 . 0 0 "[ . 1 . 2]" 1
704 1 78 LYS HA 1 81 TYR HB2 3.900 . 5.500 2.224 1.984 3.030 0.016 4 0 "[ . 1 . 2]" 1
705 1 78 LYS HA 1 81 TYR QD 2.400 . 3.100 3.076 2.786 3.157 0.057 20 0 "[ . 1 . 2]" 1
706 1 78 LYS QB 1 79 GLU H 2.600 . 3.400 3.056 2.882 3.349 . 0 0 "[ . 1 . 2]" 1
707 1 78 LYS QB 1 79 GLU HA 2.200 . 4.500 4.170 3.997 4.344 . 0 0 "[ . 1 . 2]" 1
708 1 79 GLU H 1 79 GLU HA 2.300 . 3.000 2.809 2.784 2.835 . 0 0 "[ . 1 . 2]" 1
709 1 79 GLU H 1 79 GLU HA 2.100 . 2.700 2.708 2.694 2.721 0.021 15 0 "[ . 1 . 2]" 1
710 1 79 GLU HA 1 80 ASP H 2.400 . 4.500 3.553 3.470 3.587 . 0 0 "[ . 1 . 2]" 1
711 1 79 GLU HA 1 81 TYR H 3.700 . 5.400 4.104 3.855 4.326 . 0 0 "[ . 1 . 2]" 1
712 1 80 ASP H 1 80 ASP HA 2.400 . 3.100 2.920 2.895 2.968 . 0 0 "[ . 1 . 2]" 1
713 1 80 ASP H 1 81 TYR H 2.000 . 2.500 2.462 2.229 2.528 0.028 8 0 "[ . 1 . 2]" 1
714 1 80 ASP HA 1 81 TYR H 2.900 . 4.000 3.477 3.444 3.506 . 0 0 "[ . 1 . 2]" 1
715 1 81 TYR H 1 81 TYR HA 2.700 . 3.600 2.963 2.950 2.974 . 0 0 "[ . 1 . 2]" 1
716 1 81 TYR H 1 81 TYR HB2 2.200 . 2.800 2.046 2.018 2.071 . 0 0 "[ . 1 . 2]" 1
717 1 81 TYR H 1 81 TYR HB3 2.500 . 3.300 3.360 3.329 3.402 0.102 20 0 "[ . 1 . 2]" 1
718 1 81 TYR H 1 81 TYR QD 2.500 . 3.300 3.130 2.852 3.307 0.007 11 0 "[ . 1 . 2]" 1
719 1 81 TYR HA 1 81 TYR HB2 3.000 . 4.100 2.970 2.951 2.997 . 0 0 "[ . 1 . 2]" 1
720 1 81 TYR HA 1 81 TYR HB3 2.800 . 3.800 2.730 2.682 2.763 . 0 0 "[ . 1 . 2]" 1
721 1 81 TYR HA 1 81 TYR QD 2.700 . 3.600 2.667 2.501 2.804 . 0 0 "[ . 1 . 2]" 1
722 1 81 TYR HA 1 82 VAL H 1.800 . 2.200 2.222 2.205 2.247 0.047 11 0 "[ . 1 . 2]" 1
723 1 81 TYR HA 1 82 VAL QG 2.800 . 3.800 3.338 3.034 3.632 . 0 0 "[ . 1 . 2]" 1
724 1 81 TYR HB2 1 81 TYR QD 2.000 . 2.500 2.333 2.309 2.359 . 0 0 "[ . 1 . 2]" 1
725 1 81 TYR HB2 1 82 VAL H 3.600 . 5.200 4.426 4.318 4.517 . 0 0 "[ . 1 . 2]" 1
726 1 81 TYR HB3 1 81 TYR QD 2.000 . 2.500 2.518 2.472 2.566 0.066 9 0 "[ . 1 . 2]" 1
727 1 81 TYR HB3 1 82 VAL H 3.100 . 4.300 3.421 3.201 3.630 . 0 0 "[ . 1 . 2]" 1
728 1 81 TYR QD 1 82 VAL H 2.900 . 4.000 3.257 2.843 3.657 . 0 0 "[ . 1 . 2]" 1
729 1 82 VAL H 1 82 VAL HA 2.600 . 3.400 2.997 2.975 3.003 . 0 0 "[ . 1 . 2]" 1
730 1 82 VAL H 1 82 VAL HB 4.500 . 5.500 3.135 2.438 3.849 . 0 0 "[ . 1 . 2]" 1
731 1 82 VAL H 1 82 VAL QG 2.700 . 3.600 2.295 1.894 2.807 . 0 0 "[ . 1 . 2]" 1
732 1 82 VAL HA 1 82 VAL HB 2.200 . 4.500 2.741 2.444 3.044 . 0 0 "[ . 1 . 2]" 1
733 1 82 VAL HA 1 82 VAL QG 2.100 . 2.700 2.186 2.035 2.360 . 0 0 "[ . 1 . 2]" 1
734 1 82 VAL HA 1 83 LEU H 2.000 . 2.500 2.415 2.304 2.520 0.020 10 0 "[ . 1 . 2]" 1
735 1 82 VAL HA 1 83 LEU HB2 2.800 . 4.500 4.270 4.184 4.530 0.030 19 0 "[ . 1 . 2]" 1
736 1 82 VAL HB 1 82 VAL QG 2.100 . 2.500 1.907 1.890 1.916 . 0 0 "[ . 1 . 2]" 1
737 1 82 VAL HB 1 83 LEU H 2.200 . 4.500 3.310 2.445 4.106 . 0 0 "[ . 1 . 2]" 1
738 1 82 VAL MG1 1 82 VAL MG2 2.000 . 2.500 2.048 1.981 2.080 . 0 0 "[ . 1 . 2]" 1
739 1 82 VAL QG 1 83 LEU H 4.300 . 5.500 2.587 1.978 3.333 0.022 14 0 "[ . 1 . 2]" 1
740 1 82 VAL QG 1 83 LEU H 2.700 . 3.600 2.546 1.976 3.204 . 0 0 "[ . 1 . 2]" 1
741 1 83 LEU H 1 83 LEU HA 2.500 . 3.300 2.896 2.857 2.937 . 0 0 "[ . 1 . 2]" 1
742 1 83 LEU H 1 83 LEU HB2 2.200 . 2.800 2.165 2.067 2.411 . 0 0 "[ . 1 . 2]" 1
743 1 83 LEU H 1 83 LEU HB3 2.100 . 2.700 2.721 2.426 2.803 0.103 5 0 "[ . 1 . 2]" 1
744 1 83 LEU H 1 83 LEU QD 5.000 . 5.500 3.461 3.241 3.653 . 0 0 "[ . 1 . 2]" 1
745 1 83 LEU H 1 83 LEU HG 2.800 . 4.500 4.366 4.098 4.507 0.007 8 0 "[ . 1 . 2]" 1
746 1 83 LEU HA 1 83 LEU HB2 2.400 . 3.100 2.641 2.475 2.691 . 0 0 "[ . 1 . 2]" 1
747 1 83 LEU HA 1 83 LEU HB3 2.700 . 3.600 3.000 2.983 3.032 . 0 0 "[ . 1 . 2]" 1
748 1 83 LEU HA 1 83 LEU QD 2.300 . 3.000 2.214 1.808 2.869 . 0 0 "[ . 1 . 2]" 1
749 1 83 LEU HA 1 84 TYR H 1.800 . 2.200 2.216 2.203 2.253 0.053 4 0 "[ . 1 . 2]" 1
750 1 83 LEU HA 1 84 TYR HB3 3.700 . 5.400 4.787 4.617 4.936 . 0 0 "[ . 1 . 2]" 1
751 1 83 LEU HB2 1 83 LEU QD 2.300 . 3.000 2.139 1.928 2.259 . 0 0 "[ . 1 . 2]" 1
752 1 83 LEU HB2 1 84 TYR H 4.100 . 5.500 4.560 4.367 4.654 . 0 0 "[ . 1 . 2]" 1
753 1 83 LEU HB3 1 83 LEU QD 2.500 . 3.300 2.236 1.960 2.533 . 0 0 "[ . 1 . 2]" 1
754 1 83 LEU MD1 1 83 LEU MD2 3.400 . 4.800 2.027 1.986 2.086 0.014 4 0 "[ . 1 . 2]" 1
755 1 83 LEU QD 1 84 TYR H 2.800 . 3.800 2.559 1.912 3.263 0.088 11 0 "[ . 1 . 2]" 1
756 1 83 LEU HG 1 84 TYR H 3.700 . 5.400 4.256 3.104 5.290 . 0 0 "[ . 1 . 2]" 1
757 1 84 TYR H 1 84 TYR HA 2.600 . 3.400 2.882 2.802 2.955 . 0 0 "[ . 1 . 2]" 1
758 1 84 TYR H 1 84 TYR HB2 2.400 . 3.100 2.251 2.107 2.456 . 0 0 "[ . 1 . 2]" 1
759 1 84 TYR H 1 84 TYR HB3 2.200 . 2.800 2.651 2.442 2.807 0.007 18 0 "[ . 1 . 2]" 1
760 1 84 TYR H 1 84 TYR QD 3.800 . 5.500 4.037 3.861 4.137 . 0 0 "[ . 1 . 2]" 1
761 1 84 TYR H 1 85 GLU H 3.300 . 4.700 4.545 4.306 4.681 . 0 0 "[ . 1 . 2]" 1
762 1 84 TYR HA 1 84 TYR HB2 2.200 . 2.800 2.595 2.504 2.675 . 0 0 "[ . 1 . 2]" 1
763 1 84 TYR HA 1 84 TYR HB3 2.700 . 3.600 3.026 3.001 3.044 . 0 0 "[ . 1 . 2]" 1
764 1 84 TYR HA 1 84 TYR QD 2.300 . 3.000 2.564 2.005 2.990 . 0 0 "[ . 1 . 2]" 1
765 1 84 TYR HA 1 84 TYR QE 5.000 . 5.500 4.366 4.120 4.534 . 0 0 "[ . 1 . 2]" 1
766 1 84 TYR HA 1 85 GLU H 1.900 . 2.400 2.252 2.208 2.404 0.004 8 0 "[ . 1 . 2]" 1
767 1 84 TYR HB2 1 84 TYR QD 2.600 . 3.400 2.520 2.299 2.711 . 0 0 "[ . 1 . 2]" 1
768 1 84 TYR HB2 1 85 GLU H 5.500 . 5.500 4.431 4.069 4.653 . 0 0 "[ . 1 . 2]" 1
769 1 84 TYR HB3 1 84 TYR QD 2.300 . 3.000 2.369 2.306 2.595 . 0 0 "[ . 1 . 2]" 1
770 1 84 TYR HB3 1 85 GLU H 5.500 . 5.500 4.065 3.407 4.370 . 0 0 "[ . 1 . 2]" 1
771 1 84 TYR QD 1 85 GLU H 3.500 . 5.000 3.564 2.730 4.243 . 0 0 "[ . 1 . 2]" 1
772 1 85 GLU H 1 85 GLU HA 2.400 . 3.100 2.814 2.361 3.002 . 0 0 "[ . 1 . 2]" 1
773 1 85 GLU HA 1 86 GLU H 2.000 . 2.500 2.330 2.211 2.519 0.019 1 0 "[ . 1 . 2]" 1
774 1 86 GLU H 1 86 GLU HA 2.500 . 3.300 2.906 2.364 3.002 . 0 0 "[ . 1 . 2]" 1
775 1 86 GLU H 1 86 GLU HB2 2.100 . 2.700 2.549 1.962 3.545 0.845 12 3 "[ - . 1 + . *]" 1
776 1 86 GLU H 1 86 GLU HB3 2.800 . 3.800 3.013 2.458 3.676 . 0 0 "[ . 1 . 2]" 1
777 1 86 GLU HA 1 86 GLU HB3 2.800 . 3.800 2.805 2.459 3.041 . 0 0 "[ . 1 . 2]" 1
778 1 86 GLU HA 1 87 LYS H 2.200 . 2.800 2.449 2.208 2.779 . 0 0 "[ . 1 . 2]" 1
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