NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418367 |
2e5e   |
7364 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e5e
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 792
_Distance_constraint_stats_list.Viol_count 819
_Distance_constraint_stats_list.Viol_total 179.684
_Distance_constraint_stats_list.Viol_max 0.645
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0146
_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 2 MET 0.000 0.000 . 0 "[ . 1 .]"
1 3 ALA 0.184 0.029 9 0 "[ . 1 .]"
1 4 GLN 0.195 0.034 6 0 "[ . 1 .]"
1 5 ASN 0.175 0.034 6 0 "[ . 1 .]"
1 6 ILE 0.034 0.007 7 0 "[ . 1 .]"
1 7 THR 0.061 0.013 8 0 "[ . 1 .]"
1 8 ALA 0.396 0.044 8 0 "[ . 1 .]"
1 9 ARG 0.179 0.027 11 0 "[ . 1 .]"
1 10 ILE 0.317 0.026 12 0 "[ . 1 .]"
1 11 GLY 0.055 0.011 10 0 "[ . 1 .]"
1 12 GLU 0.058 0.011 9 0 "[ . 1 .]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 14 LEU 0.519 0.052 10 0 "[ . 1 .]"
1 15 VAL 0.227 0.057 11 0 "[ . 1 .]"
1 16 LEU 0.504 0.029 9 0 "[ . 1 .]"
1 17 LYS 0.007 0.007 12 0 "[ . 1 .]"
1 18 CYS 0.002 0.002 14 0 "[ . 1 .]"
1 19 LYS 0.030 0.006 7 0 "[ . 1 .]"
1 20 GLY 0.033 0.014 3 0 "[ . 1 .]"
1 21 ALA 0.199 0.040 8 0 "[ . 1 .]"
1 22 PRO 0.011 0.009 13 0 "[ . 1 .]"
1 23 LYS 0.419 0.077 13 0 "[ . 1 .]"
1 24 LYS 0.461 0.077 13 0 "[ . 1 .]"
1 27 GLN 0.348 0.080 10 0 "[ . 1 .]"
1 28 ARG 0.660 0.113 10 0 "[ . 1 .]"
1 29 LEU 0.064 0.013 8 0 "[ . 1 .]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 31 TRP 0.227 0.022 11 0 "[ . 1 .]"
1 32 LYS 0.011 0.003 1 0 "[ . 1 .]"
1 33 LEU 1.238 0.645 11 1 "[ . 1+ .]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 35 THR 0.086 0.017 4 0 "[ . 1 .]"
1 36 GLY 0.323 0.042 3 0 "[ . 1 .]"
1 37 ARG 0.041 0.022 13 0 "[ . 1 .]"
1 38 THR 0.087 0.022 13 0 "[ . 1 .]"
1 39 GLU 0.044 0.028 7 0 "[ . 1 .]"
1 40 ALA 1.015 0.122 3 0 "[ . 1 .]"
1 41 TRP 0.950 0.122 3 0 "[ . 1 .]"
1 42 LYS 0.167 0.016 2 0 "[ . 1 .]"
1 43 VAL 0.034 0.012 2 0 "[ . 1 .]"
1 44 LEU 0.041 0.015 13 0 "[ . 1 .]"
1 45 SER 0.036 0.015 13 0 "[ . 1 .]"
1 46 PRO 0.181 0.024 5 0 "[ . 1 .]"
1 47 GLN 0.190 0.024 5 0 "[ . 1 .]"
1 48 GLY 0.016 0.013 15 0 "[ . 1 .]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 52 TRP 0.171 0.028 7 0 "[ . 1 .]"
1 53 ASP 0.093 0.012 7 0 "[ . 1 .]"
1 54 SER 0.421 0.042 1 0 "[ . 1 .]"
1 55 VAL 0.530 0.042 1 0 "[ . 1 .]"
1 56 ALA 0.145 0.026 7 0 "[ . 1 .]"
1 57 ARG 1.508 0.135 10 0 "[ . 1 .]"
1 58 VAL 0.040 0.010 11 0 "[ . 1 .]"
1 59 LEU 0.018 0.009 12 0 "[ . 1 .]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 61 ASN 0.488 0.048 9 0 "[ . 1 .]"
1 62 GLY 0.039 0.016 9 0 "[ . 1 .]"
1 63 SER 0.298 0.026 11 0 "[ . 1 .]"
1 64 LEU 0.229 0.035 7 0 "[ . 1 .]"
1 65 PHE 0.298 0.057 11 0 "[ . 1 .]"
1 66 LEU 0.427 0.052 10 0 "[ . 1 .]"
1 67 PRO 0.047 0.009 10 0 "[ . 1 .]"
1 68 ALA 0.003 0.003 7 0 "[ . 1 .]"
1 69 VAL 0.033 0.004 2 0 "[ . 1 .]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 71 ILE 0.207 0.037 4 0 "[ . 1 .]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 74 GLU 0.503 0.037 4 0 "[ . 1 .]"
1 75 GLY 0.106 0.017 14 0 "[ . 1 .]"
1 76 ILE 0.013 0.003 5 0 "[ . 1 .]"
1 77 PHE 1.235 0.645 11 1 "[ . 1+ .]"
1 78 ARG 0.017 0.007 4 0 "[ . 1 .]"
1 79 CYS 0.008 0.008 9 0 "[ . 1 .]"
1 80 GLN 0.167 0.027 5 0 "[ . 1 .]"
1 81 ALA 0.023 0.010 5 0 "[ . 1 .]"
1 82 MET 0.018 0.009 6 0 "[ . 1 .]"
1 83 ASN 0.057 0.010 2 0 "[ . 1 .]"
1 84 ARG 0.009 0.005 12 0 "[ . 1 .]"
1 85 ASN 0.054 0.020 11 0 "[ . 1 .]"
1 86 GLY 0.059 0.020 11 0 "[ . 1 .]"
1 87 LYS 0.129 0.012 7 0 "[ . 1 .]"
1 88 GLU 0.021 0.006 5 0 "[ . 1 .]"
1 89 THR 0.243 0.027 5 0 "[ . 1 .]"
1 90 LYS 0.005 0.005 3 0 "[ . 1 .]"
1 91 SER 0.008 0.008 9 0 "[ . 1 .]"
1 92 ASN 0.032 0.007 4 0 "[ . 1 .]"
1 93 TYR 0.207 0.024 14 0 "[ . 1 .]"
1 94 ARG 0.042 0.008 3 0 "[ . 1 .]"
1 95 VAL 0.198 0.017 3 0 "[ . 1 .]"
1 96 ARG 0.172 0.021 12 0 "[ . 1 .]"
1 97 VAL 0.732 0.044 8 0 "[ . 1 .]"
1 98 TYR 0.121 0.018 9 0 "[ . 1 .]"
1 99 GLN 0.002 0.002 1 0 "[ . 1 .]"
1 100 ILE 0.695 0.056 6 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 2 MET HA 1 2 MET HB3 2.800 . 2.800 2.518 2.375 2.749 . 0 0 "[ . 1 .]" 1
2 1 2 MET HA 1 3 ALA H 3.400 . 3.400 2.471 2.294 2.681 . 0 0 "[ . 1 .]" 1
3 1 2 MET HB3 1 3 ALA H 2.800 . 2.800 2.336 1.985 2.762 . 0 0 "[ . 1 .]" 1
4 1 3 ALA H 1 3 ALA HA 2.800 . 2.800 2.664 2.273 2.829 0.029 9 0 "[ . 1 .]" 1
5 1 3 ALA H 1 3 ALA MB . . 3.400 2.590 2.084 2.911 . 0 0 "[ . 1 .]" 1
6 1 3 ALA HA 1 4 GLN H 2.800 . 2.800 2.393 2.157 2.680 . 0 0 "[ . 1 .]" 1
7 1 3 ALA HA 1 92 ASN HB2 5.000 3.400 5.000 3.675 3.395 4.682 0.005 7 0 "[ . 1 .]" 1
8 1 3 ALA HA 1 92 ASN HB3 3.400 . 3.400 2.494 1.986 3.203 . 0 0 "[ . 1 .]" 1
9 1 3 ALA HA 1 93 TYR HD1 5.000 . 5.000 4.746 4.327 5.024 0.024 14 0 "[ . 1 .]" 1
10 1 3 ALA MB 1 4 GLN H 3.400 . 3.400 2.533 1.995 3.109 . 0 0 "[ . 1 .]" 1
11 1 3 ALA MB 1 93 TYR HA 5.000 . 5.000 4.066 3.446 4.699 . 0 0 "[ . 1 .]" 1
12 1 4 GLN H 1 4 GLN HG2 3.400 . 3.400 2.584 1.995 3.144 . 0 0 "[ . 1 .]" 1
13 1 4 GLN H 1 4 GLN HG3 5.000 . 5.000 3.678 2.427 4.386 . 0 0 "[ . 1 .]" 1
14 1 4 GLN H 1 93 TYR HA 3.400 . 3.400 2.493 1.997 3.036 . 0 0 "[ . 1 .]" 1
15 1 4 GLN H 1 94 ARG H 3.400 . 3.400 2.858 2.132 3.398 . 0 0 "[ . 1 .]" 1
16 1 4 GLN HA 1 5 ASN H 2.800 . 2.800 2.331 2.192 2.365 . 0 0 "[ . 1 .]" 1
17 1 4 GLN HA 1 5 ASN HB3 5.000 . 5.000 4.531 4.467 4.621 . 0 0 "[ . 1 .]" 1
18 1 4 GLN HB3 1 5 ASN H 3.400 . 3.400 2.974 2.527 3.434 0.034 6 0 "[ . 1 .]" 1
19 1 4 GLN HB3 1 6 ILE MD 5.000 . 5.000 3.894 3.002 5.004 0.004 5 0 "[ . 1 .]" 1
20 1 4 GLN HB3 1 93 TYR HA 5.000 3.400 5.000 4.463 3.727 4.996 . 0 0 "[ . 1 .]" 1
21 1 4 GLN HG2 1 5 ASN H 5.000 . 5.000 4.864 4.591 5.006 0.006 12 0 "[ . 1 .]" 1
22 1 4 GLN HG2 1 6 ILE MD 5.000 . 5.000 4.504 3.551 5.006 0.006 4 0 "[ . 1 .]" 1
23 1 4 GLN HG2 1 93 TYR HD1 5.000 . 5.000 3.649 2.433 4.920 . 0 0 "[ . 1 .]" 1
24 1 4 GLN HG2 1 93 TYR HE1 5.000 . 5.000 4.517 3.900 5.005 0.005 14 0 "[ . 1 .]" 1
25 1 4 GLN HG2 1 94 ARG H 5.000 . 5.000 4.479 3.070 4.996 . 0 0 "[ . 1 .]" 1
26 1 4 GLN HG3 1 5 ASN H 5.000 . 5.000 4.813 4.470 5.006 0.006 8 0 "[ . 1 .]" 1
27 1 4 GLN HG3 1 6 ILE MD 5.000 . 5.000 3.550 2.102 4.309 . 0 0 "[ . 1 .]" 1
28 1 4 GLN HG3 1 93 TYR HD1 5.000 . 5.000 3.726 2.251 5.006 0.006 8 0 "[ . 1 .]" 1
29 1 4 GLN HG3 1 93 TYR HE1 5.000 . 5.000 4.469 3.775 5.000 . 9 0 "[ . 1 .]" 1
30 1 5 ASN H 1 5 ASN HB3 3.400 . 3.400 3.124 2.855 3.283 . 0 0 "[ . 1 .]" 1
31 1 5 ASN HA 1 5 ASN HB3 2.800 . 2.800 2.389 2.370 2.410 . 0 0 "[ . 1 .]" 1
32 1 5 ASN HA 1 6 ILE H 2.800 . 2.800 2.163 2.141 2.203 . 0 0 "[ . 1 .]" 1
33 1 5 ASN HA 1 6 ILE HA 5.000 . 5.000 4.402 4.387 4.422 . 0 0 "[ . 1 .]" 1
34 1 5 ASN HA 1 6 ILE HB 5.000 . 5.000 4.797 4.719 4.916 . 0 0 "[ . 1 .]" 1
35 1 5 ASN HA 1 94 ARG HB2 5.000 . 5.000 3.371 2.814 3.769 . 0 0 "[ . 1 .]" 1
36 1 5 ASN HA 1 94 ARG HB3 . . 2.800 2.289 1.985 2.656 . 0 0 "[ . 1 .]" 1
37 1 5 ASN HA 1 94 ARG HD2 5.000 . 5.000 3.937 3.280 4.618 . 0 0 "[ . 1 .]" 1
38 1 5 ASN HA 1 94 ARG HD3 5.000 . 5.000 4.706 4.151 5.004 0.004 15 0 "[ . 1 .]" 1
39 1 5 ASN HB3 1 94 ARG HB2 5.000 . 5.000 4.570 3.954 5.007 0.007 13 0 "[ . 1 .]" 1
40 1 5 ASN HB3 1 94 ARG HB3 5.000 . 5.000 3.835 3.241 4.478 . 0 0 "[ . 1 .]" 1
41 1 6 ILE H 1 6 ILE HB 2.800 . 2.800 2.713 2.636 2.804 0.004 14 0 "[ . 1 .]" 1
42 1 6 ILE H 1 6 ILE MD 5.000 . 5.000 3.299 2.289 3.918 . 0 0 "[ . 1 .]" 1
43 1 6 ILE H 1 6 ILE HG13 2.800 . 2.800 2.678 2.550 2.807 0.007 7 0 "[ . 1 .]" 1
44 1 6 ILE H 1 7 THR H 5.000 . 5.000 4.432 4.288 4.504 . 0 0 "[ . 1 .]" 1
45 1 6 ILE H 1 94 ARG H 5.000 3.400 5.000 3.791 3.472 4.274 . 0 0 "[ . 1 .]" 1
46 1 6 ILE H 1 94 ARG HD2 5.000 . 5.000 4.582 3.706 5.001 0.001 14 0 "[ . 1 .]" 1
47 1 6 ILE H 1 95 VAL QG 5.000 . 5.000 4.003 3.310 4.405 . 0 0 "[ . 1 .]" 1
48 1 6 ILE H 1 96 ARG H 5.000 . 5.000 4.499 4.331 4.642 . 0 0 "[ . 1 .]" 1
49 1 6 ILE HA 1 7 THR H 2.800 . 2.800 2.183 2.147 2.196 . 0 0 "[ . 1 .]" 1
50 1 6 ILE HB 1 6 ILE MD 2.800 . 2.800 2.181 2.013 2.389 . 0 0 "[ . 1 .]" 1
51 1 6 ILE HB 1 7 THR H 5.000 . 5.000 3.980 3.896 4.125 . 0 0 "[ . 1 .]" 1
52 1 6 ILE HB 1 95 VAL HA 3.400 2.400 3.400 3.069 2.742 3.215 . 0 0 "[ . 1 .]" 1
53 1 6 ILE HB 1 95 VAL QG . . 3.400 2.800 2.339 3.174 . 0 0 "[ . 1 .]" 1
54 1 6 ILE HB 1 96 ARG H 5.000 3.400 5.000 4.452 4.162 4.656 . 0 0 "[ . 1 .]" 1
55 1 6 ILE MD 1 6 ILE MG 3.400 . 3.400 2.477 1.999 2.981 . 0 0 "[ . 1 .]" 1
56 1 6 ILE MD 1 93 TYR HA 5.000 . 5.000 3.353 2.846 3.778 . 0 0 "[ . 1 .]" 1
57 1 6 ILE MD 1 93 TYR HB2 5.000 . 5.000 3.333 3.103 3.851 . 0 0 "[ . 1 .]" 1
58 1 6 ILE MD 1 93 TYR HB3 5.000 . 5.000 2.029 1.895 2.365 . 0 0 "[ . 1 .]" 1
59 1 6 ILE MD 1 93 TYR HD1 5.000 . 5.000 4.340 3.500 5.004 0.004 14 0 "[ . 1 .]" 1
60 1 6 ILE MD 1 94 ARG H 5.000 . 5.000 3.260 2.377 3.889 . 0 0 "[ . 1 .]" 1
61 1 6 ILE MD 1 95 VAL HA 5.000 . 5.000 4.029 3.528 4.679 . 0 0 "[ . 1 .]" 1
62 1 6 ILE HG13 1 7 THR H 5.000 . 5.000 4.798 4.623 5.003 0.003 5 0 "[ . 1 .]" 1
63 1 6 ILE MG 1 7 THR H 5.000 . 5.000 2.338 2.128 2.703 . 0 0 "[ . 1 .]" 1
64 1 7 THR H 1 8 ALA H 5.000 . 5.000 4.519 4.325 4.568 . 0 0 "[ . 1 .]" 1
65 1 7 THR HA 1 7 THR HB 2.800 . 2.800 2.609 2.479 2.721 . 0 0 "[ . 1 .]" 1
66 1 7 THR HA 1 7 THR MG 2.800 . 2.800 2.228 2.032 2.381 . 0 0 "[ . 1 .]" 1
67 1 7 THR HA 1 8 ALA H 2.800 . 2.800 2.182 2.134 2.213 . 0 0 "[ . 1 .]" 1
68 1 7 THR HA 1 8 ALA MB 5.000 . 5.000 3.872 3.827 3.968 . 0 0 "[ . 1 .]" 1
69 1 7 THR HA 1 95 VAL QG 5.000 . 5.000 4.391 3.883 4.751 . 0 0 "[ . 1 .]" 1
70 1 7 THR HA 1 96 ARG H 3.400 2.400 3.400 3.371 3.241 3.413 0.013 8 0 "[ . 1 .]" 1
71 1 7 THR HA 1 96 ARG HB3 5.000 . 5.000 3.623 3.338 3.885 . 0 0 "[ . 1 .]" 1
72 1 7 THR HB 1 8 ALA H 5.000 . 5.000 3.170 2.989 3.586 . 0 0 "[ . 1 .]" 1
73 1 7 THR HB 1 98 TYR HD1 5.000 . 5.000 4.423 3.912 4.811 . 0 0 "[ . 1 .]" 1
74 1 7 THR HB 1 98 TYR HE1 5.000 . 5.000 3.195 2.560 3.825 . 0 0 "[ . 1 .]" 1
75 1 7 THR MG 1 96 ARG H 5.000 . 5.000 4.766 4.441 5.004 0.004 3 0 "[ . 1 .]" 1
76 1 8 ALA H 1 8 ALA MB 3.400 . 3.400 2.540 2.307 2.674 . 0 0 "[ . 1 .]" 1
77 1 8 ALA H 1 9 ARG H 5.000 . 5.000 4.433 4.402 4.499 . 0 0 "[ . 1 .]" 1
78 1 8 ALA H 1 95 VAL QG 5.000 . 5.000 3.848 3.369 4.209 . 0 0 "[ . 1 .]" 1
79 1 8 ALA H 1 96 ARG H 5.000 3.400 5.000 3.450 3.392 3.635 0.008 8 0 "[ . 1 .]" 1
80 1 8 ALA H 1 96 ARG HB3 5.000 . 5.000 4.072 3.791 4.335 . 0 0 "[ . 1 .]" 1
81 1 8 ALA H 1 97 VAL HA 5.000 3.400 5.000 3.375 3.356 3.386 0.044 8 0 "[ . 1 .]" 1
82 1 8 ALA H 1 97 VAL QG 5.000 . 5.000 4.503 4.326 4.589 . 0 0 "[ . 1 .]" 1
83 1 8 ALA MB 1 9 ARG H 2.800 . 2.800 2.493 2.392 2.598 . 0 0 "[ . 1 .]" 1
84 1 8 ALA MB 1 14 LEU QD 5.000 . 5.000 2.294 1.797 2.900 0.003 1 0 "[ . 1 .]" 1
85 1 8 ALA MB 1 96 ARG H 5.000 . 5.000 3.277 2.765 3.833 . 0 0 "[ . 1 .]" 1
86 1 8 ALA MB 1 97 VAL HA 5.000 . 5.000 3.012 2.701 3.433 . 0 0 "[ . 1 .]" 1
87 1 9 ARG H 1 9 ARG HB2 3.400 . 3.400 2.958 2.835 3.034 . 0 0 "[ . 1 .]" 1
88 1 9 ARG H 1 9 ARG HB3 2.800 . 2.800 2.607 2.506 2.676 . 0 0 "[ . 1 .]" 1
89 1 9 ARG H 1 97 VAL QG 5.000 . 5.000 4.543 4.243 4.990 . 0 0 "[ . 1 .]" 1
90 1 9 ARG HA 1 10 ILE H 2.800 . 2.800 2.192 2.157 2.262 . 0 0 "[ . 1 .]" 1
91 1 9 ARG HA 1 10 ILE HA 5.000 . 5.000 4.332 4.319 4.347 . 0 0 "[ . 1 .]" 1
92 1 9 ARG HA 1 10 ILE HG13 5.000 . 5.000 3.996 3.878 4.143 . 0 0 "[ . 1 .]" 1
93 1 9 ARG HA 1 98 TYR H 2.800 . 2.800 2.308 1.994 2.491 . 0 0 "[ . 1 .]" 1
94 1 9 ARG HA 1 98 TYR HB2 5.000 . 5.000 2.789 2.503 3.085 . 0 0 "[ . 1 .]" 1
95 1 9 ARG HD3 1 14 LEU QD 5.000 . 5.000 5.009 4.960 5.027 0.027 11 0 "[ . 1 .]" 1
96 1 10 ILE H 1 10 ILE MD 5.000 . 5.000 3.637 3.591 3.684 . 0 0 "[ . 1 .]" 1
97 1 10 ILE H 1 10 ILE HG12 2.800 . 2.800 2.392 2.348 2.448 . 0 0 "[ . 1 .]" 1
98 1 10 ILE H 1 10 ILE HG13 5.000 . 5.000 2.059 1.991 2.142 . 0 0 "[ . 1 .]" 1
99 1 10 ILE H 1 11 GLY H 5.000 . 5.000 4.569 4.530 4.600 . 0 0 "[ . 1 .]" 1
100 1 10 ILE H 1 97 VAL QG 5.000 . 5.000 3.530 3.338 3.792 . 0 0 "[ . 1 .]" 1
101 1 10 ILE H 1 98 TYR H . . 3.400 2.765 2.533 3.051 . 0 0 "[ . 1 .]" 1
102 1 10 ILE H 1 98 TYR HD1 5.000 . 5.000 4.363 3.910 4.656 . 0 0 "[ . 1 .]" 1
103 1 10 ILE HA 1 10 ILE HB 2.800 . 2.800 2.596 2.569 2.621 . 0 0 "[ . 1 .]" 1
104 1 10 ILE HA 1 10 ILE MG 2.800 . 2.800 2.042 2.013 2.071 . 0 0 "[ . 1 .]" 1
105 1 10 ILE HA 1 11 GLY H 2.800 . 2.800 2.161 2.140 2.185 . 0 0 "[ . 1 .]" 1
106 1 10 ILE HA 1 12 GLU H 5.000 . 5.000 3.378 3.318 3.435 . 0 0 "[ . 1 .]" 1
107 1 10 ILE HA 1 69 VAL QG 5.000 . 5.000 4.113 3.319 4.304 . 0 0 "[ . 1 .]" 1
108 1 10 ILE HA 1 97 VAL QG 5.000 . 5.000 2.755 2.523 2.975 . 0 0 "[ . 1 .]" 1
109 1 10 ILE HB 1 11 GLY H 3.400 . 3.400 3.201 3.067 3.354 . 0 0 "[ . 1 .]" 1
110 1 10 ILE HB 1 12 GLU H 5.000 . 5.000 4.915 4.851 4.950 . 0 0 "[ . 1 .]" 1
111 1 10 ILE MD 1 11 GLY H 5.000 . 5.000 4.645 4.491 4.795 . 0 0 "[ . 1 .]" 1
112 1 10 ILE HG12 1 97 VAL QG 3.400 . 3.400 3.416 3.409 3.426 0.026 12 0 "[ . 1 .]" 1
113 1 10 ILE HG12 1 98 TYR HB2 5.000 . 5.000 3.262 2.941 3.706 . 0 0 "[ . 1 .]" 1
114 1 10 ILE HG12 1 98 TYR HB3 5.000 . 5.000 4.137 3.917 4.320 . 0 0 "[ . 1 .]" 1
115 1 10 ILE HG13 1 11 GLY H 5.000 . 5.000 4.676 4.622 4.720 . 0 0 "[ . 1 .]" 1
116 1 10 ILE MG 1 12 GLU H 5.000 . 5.000 4.978 4.926 5.011 0.011 9 0 "[ . 1 .]" 1
117 1 10 ILE MG 1 70 GLY H 5.000 . 5.000 4.689 4.508 4.832 . 0 0 "[ . 1 .]" 1
118 1 10 ILE MG 1 97 VAL HA 5.000 . 5.000 3.808 3.760 3.859 . 0 0 "[ . 1 .]" 1
119 1 10 ILE MG 1 98 TYR H 5.000 . 5.000 3.446 3.361 3.573 . 0 0 "[ . 1 .]" 1
120 1 10 ILE MG 1 98 TYR HB3 5.000 . 5.000 4.982 4.838 5.015 0.015 12 0 "[ . 1 .]" 1
121 1 11 GLY H 1 11 GLY HA2 2.800 . 2.800 2.312 2.301 2.329 . 0 0 "[ . 1 .]" 1
122 1 11 GLY H 1 12 GLU H 2.800 . 2.800 2.637 2.611 2.657 . 0 0 "[ . 1 .]" 1
123 1 11 GLY H 1 68 ALA MB 5.000 . 5.000 3.865 3.648 4.115 . 0 0 "[ . 1 .]" 1
124 1 11 GLY H 1 69 VAL H 5.000 . 5.000 3.846 3.633 3.994 . 0 0 "[ . 1 .]" 1
125 1 11 GLY H 1 70 GLY HA2 5.000 . 5.000 2.575 2.282 3.201 . 0 0 "[ . 1 .]" 1
126 1 11 GLY H 1 71 ILE H 5.000 . 5.000 4.972 4.845 5.011 0.011 10 0 "[ . 1 .]" 1
127 1 11 GLY HA2 1 12 GLU H 5.000 . 5.000 3.272 3.214 3.344 . 0 0 "[ . 1 .]" 1
128 1 11 GLY HA2 1 68 ALA MB 3.400 . 3.400 2.209 1.944 2.687 . 0 0 "[ . 1 .]" 1
129 1 11 GLY HA3 1 12 GLU H 5.000 . 5.000 3.318 3.237 3.372 . 0 0 "[ . 1 .]" 1
130 1 11 GLY HA3 1 68 ALA MB 5.000 . 5.000 3.523 3.127 4.093 . 0 0 "[ . 1 .]" 1
131 1 12 GLU H 1 12 GLU HB2 3.400 . 3.400 2.619 2.488 2.846 . 0 0 "[ . 1 .]" 1
132 1 12 GLU H 1 12 GLU HB3 2.800 . 2.800 2.685 2.485 2.807 0.007 8 0 "[ . 1 .]" 1
133 1 12 GLU H 1 12 GLU HG2 5.000 . 5.000 4.704 4.584 4.735 . 0 0 "[ . 1 .]" 1
134 1 12 GLU H 1 12 GLU HG3 5.000 . 5.000 4.499 4.392 4.584 . 0 0 "[ . 1 .]" 1
135 1 12 GLU H 1 68 ALA HA 5.000 . 5.000 4.183 3.948 4.513 . 0 0 "[ . 1 .]" 1
136 1 12 GLU H 1 68 ALA MB 5.000 . 5.000 4.479 4.029 4.974 . 0 0 "[ . 1 .]" 1
137 1 12 GLU H 1 69 VAL H 3.400 . 3.400 3.385 3.222 3.404 0.004 9 0 "[ . 1 .]" 1
138 1 12 GLU H 1 69 VAL QG 5.000 . 5.000 4.046 2.497 4.282 . 0 0 "[ . 1 .]" 1
139 1 12 GLU HA 1 12 GLU HG3 2.800 . 2.800 2.697 2.330 2.809 0.009 6 0 "[ . 1 .]" 1
140 1 12 GLU HB3 1 12 GLU HG2 2.800 . 2.800 2.315 2.219 2.413 . 0 0 "[ . 1 .]" 1
141 1 12 GLU HB3 1 12 GLU HG3 2.800 . 2.800 2.574 2.447 2.745 . 0 0 "[ . 1 .]" 1
142 1 12 GLU HG2 1 14 LEU QD 5.000 . 5.000 3.154 2.422 3.686 . 0 0 "[ . 1 .]" 1
143 1 13 PRO HA 1 68 ALA HA 5.000 . 5.000 3.339 2.791 4.156 . 0 0 "[ . 1 .]" 1
144 1 13 PRO HB3 1 14 LEU H 5.000 . 5.000 3.446 3.264 3.595 . 0 0 "[ . 1 .]" 1
145 1 14 LEU H 1 14 LEU HB2 3.400 . 3.400 2.659 2.525 2.923 . 0 0 "[ . 1 .]" 1
146 1 14 LEU H 1 14 LEU QD 5.000 . 5.000 3.027 2.701 3.461 . 0 0 "[ . 1 .]" 1
147 1 14 LEU H 1 14 LEU HG 5.000 . 5.000 4.483 2.837 4.829 . 0 0 "[ . 1 .]" 1
148 1 14 LEU H 1 15 VAL H 5.000 . 5.000 4.351 4.282 4.424 . 0 0 "[ . 1 .]" 1
149 1 14 LEU H 1 66 LEU H 5.000 . 5.000 2.903 2.729 3.074 . 0 0 "[ . 1 .]" 1
150 1 14 LEU H 1 66 LEU HB2 5.000 . 5.000 3.054 2.188 3.597 . 0 0 "[ . 1 .]" 1
151 1 14 LEU H 1 66 LEU QD 5.000 . 5.000 3.956 3.259 4.472 . 0 0 "[ . 1 .]" 1
152 1 14 LEU H 1 69 VAL QG 5.000 . 5.000 2.549 1.995 4.138 . 0 0 "[ . 1 .]" 1
153 1 14 LEU HA 1 14 LEU QD 2.800 . 2.800 2.378 1.878 2.808 0.008 2 0 "[ . 1 .]" 1
154 1 14 LEU HA 1 15 VAL H 2.800 . 2.800 2.214 2.169 2.271 . 0 0 "[ . 1 .]" 1
155 1 14 LEU HB2 1 15 VAL H 5.000 . 5.000 4.204 3.685 4.350 . 0 0 "[ . 1 .]" 1
156 1 14 LEU HB2 1 69 VAL HB 5.000 . 5.000 3.665 3.257 4.524 . 0 0 "[ . 1 .]" 1
157 1 14 LEU HB3 1 15 VAL H 3.400 . 3.400 3.062 2.804 3.279 . 0 0 "[ . 1 .]" 1
158 1 14 LEU HB3 1 16 LEU HG 5.000 . 5.000 4.825 4.670 4.988 . 0 0 "[ . 1 .]" 1
159 1 14 LEU QD 1 15 VAL H 5.000 . 5.000 3.215 2.013 3.972 . 0 0 "[ . 1 .]" 1
160 1 14 LEU QD 1 66 LEU H 5.000 . 5.000 5.020 5.007 5.052 0.052 10 0 "[ . 1 .]" 1
161 1 14 LEU HG 1 15 VAL H 5.000 . 5.000 4.235 3.440 4.953 . 0 0 "[ . 1 .]" 1
162 1 15 VAL H 1 15 VAL HB 2.800 . 2.800 2.764 2.747 2.800 0.000 2 0 "[ . 1 .]" 1
163 1 15 VAL H 1 15 VAL QG 2.800 . 2.800 2.615 2.551 2.655 . 0 0 "[ . 1 .]" 1
164 1 15 VAL H 1 16 LEU H 5.000 . 5.000 4.410 4.371 4.431 . 0 0 "[ . 1 .]" 1
165 1 15 VAL HA 1 16 LEU H 2.800 . 2.800 2.210 2.188 2.229 . 0 0 "[ . 1 .]" 1
166 1 15 VAL HA 1 16 LEU HA 5.000 . 5.000 4.423 4.396 4.435 . 0 0 "[ . 1 .]" 1
167 1 15 VAL HA 1 64 LEU QD 5.000 . 5.000 4.687 4.069 5.015 0.015 9 0 "[ . 1 .]" 1
168 1 15 VAL HA 1 65 PHE HA 3.400 . 3.400 2.354 2.200 2.511 . 0 0 "[ . 1 .]" 1
169 1 15 VAL HA 1 66 LEU H 5.000 . 5.000 3.613 3.371 3.934 . 0 0 "[ . 1 .]" 1
170 1 15 VAL HB 1 16 LEU H 5.000 . 5.000 3.935 3.881 4.023 . 0 0 "[ . 1 .]" 1
171 1 15 VAL HB 1 16 LEU HA 5.000 . 5.000 4.534 4.479 4.595 . 0 0 "[ . 1 .]" 1
172 1 15 VAL QG 1 16 LEU H 3.400 . 3.400 2.169 2.056 2.348 . 0 0 "[ . 1 .]" 1
173 1 15 VAL QG 1 65 PHE HA 5.000 . 5.000 2.468 1.901 2.789 . 0 0 "[ . 1 .]" 1
174 1 15 VAL QG 1 65 PHE HB2 . . 3.400 2.121 2.000 2.387 . 0 0 "[ . 1 .]" 1
175 1 15 VAL QG 1 65 PHE HB3 . . 3.400 3.410 3.343 3.457 0.057 11 0 "[ . 1 .]" 1
176 1 15 VAL QG 1 66 LEU H 5.000 . 5.000 3.369 2.824 3.747 . 0 0 "[ . 1 .]" 1
177 1 16 LEU H 1 16 LEU HB2 3.400 . 3.400 2.682 2.518 2.740 . 0 0 "[ . 1 .]" 1
178 1 16 LEU H 1 16 LEU QD 5.000 . 5.000 3.953 3.901 3.992 . 0 0 "[ . 1 .]" 1
179 1 16 LEU H 1 16 LEU HG 5.000 . 5.000 4.219 4.086 4.317 . 0 0 "[ . 1 .]" 1
180 1 16 LEU H 1 17 LYS H 5.000 . 5.000 4.344 4.283 4.392 . 0 0 "[ . 1 .]" 1
181 1 16 LEU H 1 63 SER HB3 5.000 . 5.000 4.984 4.811 5.026 0.026 11 0 "[ . 1 .]" 1
182 1 16 LEU H 1 64 LEU HA 5.000 . 5.000 4.577 4.437 4.658 . 0 0 "[ . 1 .]" 1
183 1 16 LEU H 1 64 LEU HB2 5.000 . 5.000 4.090 3.722 4.410 . 0 0 "[ . 1 .]" 1
184 1 16 LEU H 1 64 LEU HB3 5.000 . 5.000 3.234 2.874 3.559 . 0 0 "[ . 1 .]" 1
185 1 16 LEU HA 1 16 LEU HB3 . . 2.800 2.811 2.752 2.829 0.029 9 0 "[ . 1 .]" 1
186 1 16 LEU HA 1 16 LEU QD . . 3.400 2.064 1.953 2.478 . 0 0 "[ . 1 .]" 1
187 1 16 LEU HA 1 16 LEU HG . . 3.400 2.600 2.318 2.675 . 0 0 "[ . 1 .]" 1
188 1 16 LEU HA 1 17 LYS H 2.800 . 2.800 2.239 2.171 2.305 . 0 0 "[ . 1 .]" 1
189 1 16 LEU HB2 1 17 LYS H 5.000 . 5.000 4.268 4.145 4.392 . 0 0 "[ . 1 .]" 1
190 1 16 LEU HB2 1 64 LEU H 5.000 . 5.000 4.549 4.344 4.895 . 0 0 "[ . 1 .]" 1
191 1 16 LEU HB2 1 64 LEU HB3 5.000 . 5.000 3.510 2.830 3.941 . 0 0 "[ . 1 .]" 1
192 1 16 LEU HB3 1 17 LYS H 3.400 . 3.400 3.174 2.935 3.407 0.007 12 0 "[ . 1 .]" 1
193 1 16 LEU HB3 1 17 LYS HA 5.000 . 5.000 4.385 4.279 4.565 . 0 0 "[ . 1 .]" 1
194 1 16 LEU HB3 1 64 LEU H 5.000 3.400 5.000 4.483 4.286 4.781 . 0 0 "[ . 1 .]" 1
195 1 16 LEU HB3 1 64 LEU HB3 5.000 . 5.000 4.037 3.207 4.547 . 0 0 "[ . 1 .]" 1
196 1 16 LEU QD 1 17 LYS H 5.000 . 5.000 2.126 1.911 2.520 . 0 0 "[ . 1 .]" 1
197 1 16 LEU QD 1 64 LEU HB2 5.000 . 5.000 4.956 4.826 5.014 0.014 9 0 "[ . 1 .]" 1
198 1 16 LEU QD 1 93 TYR HD1 5.000 . 5.000 4.955 4.765 5.011 0.011 5 0 "[ . 1 .]" 1
199 1 16 LEU QD 1 95 VAL QG 5.000 3.400 5.000 3.394 3.385 3.402 0.015 12 0 "[ . 1 .]" 1
200 1 17 LYS H 1 17 LYS HD3 2.800 . 2.800 2.443 2.025 2.800 0.000 15 0 "[ . 1 .]" 1
201 1 17 LYS HA 1 17 LYS HB3 2.800 . 2.800 2.536 2.365 2.754 . 0 0 "[ . 1 .]" 1
202 1 17 LYS HA 1 17 LYS HD2 5.000 . 5.000 4.008 3.435 4.795 . 0 0 "[ . 1 .]" 1
203 1 17 LYS HA 1 18 CYS H 5.000 . 5.000 2.152 2.136 2.188 . 0 0 "[ . 1 .]" 1
204 1 17 LYS HA 1 63 SER H 5.000 . 5.000 4.731 4.576 4.991 . 0 0 "[ . 1 .]" 1
205 1 17 LYS HA 1 63 SER HA 2.800 . 2.800 2.037 1.968 2.334 . 0 0 "[ . 1 .]" 1
206 1 17 LYS HA 1 63 SER HB3 5.000 . 5.000 4.178 3.745 4.556 . 0 0 "[ . 1 .]" 1
207 1 17 LYS HA 1 64 LEU H 5.000 . 5.000 3.438 3.202 3.830 . 0 0 "[ . 1 .]" 1
208 1 17 LYS HD2 1 17 LYS HE2 2.800 . 2.800 2.621 2.432 2.761 . 0 0 "[ . 1 .]" 1
209 1 17 LYS HG3 1 64 LEU H 5.000 . 5.000 4.264 3.979 4.604 . 0 0 "[ . 1 .]" 1
210 1 18 CYS H 1 63 SER HB2 5.000 . 5.000 4.509 3.820 5.002 0.002 14 0 "[ . 1 .]" 1
211 1 19 LYS H 1 19 LYS HB3 2.800 . 2.800 2.625 2.437 2.806 0.006 7 0 "[ . 1 .]" 1
212 1 19 LYS H 1 19 LYS HG2 5.000 . 5.000 2.682 2.162 3.191 . 0 0 "[ . 1 .]" 1
213 1 19 LYS H 1 19 LYS HG3 3.400 . 3.400 2.513 1.986 3.079 . 0 0 "[ . 1 .]" 1
214 1 19 LYS HA 1 19 LYS HB3 2.800 . 2.800 2.449 2.426 2.477 . 0 0 "[ . 1 .]" 1
215 1 19 LYS HA 1 19 LYS HE3 5.000 . 5.000 4.674 4.228 4.960 . 0 0 "[ . 1 .]" 1
216 1 19 LYS HA 1 20 GLY HA2 5.000 . 5.000 4.681 4.423 4.820 . 0 0 "[ . 1 .]" 1
217 1 19 LYS HE2 1 19 LYS HG2 3.400 . 3.400 3.359 3.126 3.405 0.005 11 0 "[ . 1 .]" 1
218 1 19 LYS HE2 1 19 LYS HG3 2.800 . 2.800 2.204 1.997 2.580 . 0 0 "[ . 1 .]" 1
219 1 19 LYS HE3 1 21 ALA H 5.000 . 5.000 4.822 4.437 5.003 0.003 3 0 "[ . 1 .]" 1
220 1 20 GLY H 1 21 ALA HA 5.000 . 5.000 4.792 4.543 5.014 0.014 3 0 "[ . 1 .]" 1
221 1 20 GLY HA2 1 21 ALA H 5.000 . 5.000 3.296 2.326 3.569 . 0 0 "[ . 1 .]" 1
222 1 20 GLY HA2 1 81 ALA MB 5.000 . 5.000 4.536 3.158 5.003 0.003 10 0 "[ . 1 .]" 1
223 1 20 GLY HA3 1 21 ALA H 3.400 . 3.400 2.713 2.195 3.407 0.007 12 0 "[ . 1 .]" 1
224 1 20 GLY HA3 1 21 ALA MB 5.000 . 5.000 4.360 4.014 4.883 . 0 0 "[ . 1 .]" 1
225 1 21 ALA H 1 21 ALA HA 2.800 . 2.800 2.804 2.759 2.840 0.040 8 0 "[ . 1 .]" 1
226 1 21 ALA H 1 21 ALA MB 2.800 . 2.800 2.143 2.084 2.227 . 0 0 "[ . 1 .]" 1
227 1 21 ALA HA 1 22 PRO HG3 5.000 . 5.000 4.213 4.131 4.282 . 0 0 "[ . 1 .]" 1
228 1 22 PRO HA 1 22 PRO HB3 2.800 . 2.800 2.296 2.279 2.304 . 0 0 "[ . 1 .]" 1
229 1 22 PRO HA 1 23 LYS H 2.800 . 2.800 2.637 2.379 2.801 0.001 3 0 "[ . 1 .]" 1
230 1 22 PRO HA 1 23 LYS HA 5.000 . 5.000 4.344 4.303 4.440 . 0 0 "[ . 1 .]" 1
231 1 22 PRO HB2 1 23 LYS H 3.400 . 3.400 2.650 2.287 3.235 . 0 0 "[ . 1 .]" 1
232 1 22 PRO HB2 1 24 LYS H 2.800 . 2.800 2.368 2.192 2.809 0.009 13 0 "[ . 1 .]" 1
233 1 22 PRO HB3 1 23 LYS H 5.000 . 5.000 2.524 2.394 2.812 . 0 0 "[ . 1 .]" 1
234 1 22 PRO HG2 1 24 LYS H 5.000 . 5.000 4.528 4.221 4.969 . 0 0 "[ . 1 .]" 1
235 1 23 LYS H 1 23 LYS HB2 2.800 . 2.800 2.340 2.072 2.756 . 0 0 "[ . 1 .]" 1
236 1 23 LYS H 1 23 LYS HG3 5.000 . 5.000 4.243 3.734 4.480 . 0 0 "[ . 1 .]" 1
237 1 23 LYS H 1 24 LYS H . . 2.800 2.520 1.961 2.802 0.002 3 0 "[ . 1 .]" 1
238 1 23 LYS HA 1 23 LYS HB2 2.800 . 2.800 2.643 2.500 2.786 . 0 0 "[ . 1 .]" 1
239 1 23 LYS HA 1 23 LYS HG3 . . 2.800 2.510 2.133 2.735 . 0 0 "[ . 1 .]" 1
240 1 23 LYS HA 1 24 LYS H 3.400 . 3.400 3.377 2.946 3.477 0.077 13 0 "[ . 1 .]" 1
241 1 23 LYS HG2 1 24 LYS H 5.000 . 5.000 4.790 4.334 5.001 0.001 4 0 "[ . 1 .]" 1
242 1 24 LYS H 1 24 LYS HB2 2.800 . 2.800 2.516 2.210 2.738 . 0 0 "[ . 1 .]" 1
243 1 24 LYS H 1 24 LYS HE3 5.000 . 5.000 4.032 2.716 4.789 . 0 0 "[ . 1 .]" 1
244 1 24 LYS H 1 24 LYS HG3 2.800 . 2.800 2.437 1.967 2.820 0.020 13 0 "[ . 1 .]" 1
245 1 24 LYS HA 1 24 LYS HD2 5.000 . 5.000 4.461 4.266 4.796 . 0 0 "[ . 1 .]" 1
246 1 24 LYS HA 1 24 LYS HG3 3.400 . 3.400 2.998 2.449 3.408 0.008 9 0 "[ . 1 .]" 1
247 1 24 LYS HB2 1 24 LYS HG3 2.800 . 2.800 2.510 2.330 2.791 . 0 0 "[ . 1 .]" 1
248 1 24 LYS HE3 1 24 LYS HG3 2.800 . 2.800 2.326 1.997 2.798 . 0 0 "[ . 1 .]" 1
249 1 27 GLN HA 1 27 GLN HB3 2.800 . 2.800 2.651 2.271 2.812 0.012 9 0 "[ . 1 .]" 1
250 1 27 GLN HA 1 27 GLN HG3 3.400 . 3.400 2.878 2.120 3.451 0.051 14 0 "[ . 1 .]" 1
251 1 27 GLN HA 1 28 ARG H 3.400 . 3.400 2.918 2.146 3.480 0.080 10 0 "[ . 1 .]" 1
252 1 28 ARG H 1 28 ARG HB3 3.400 . 3.400 3.343 3.061 3.424 0.024 8 0 "[ . 1 .]" 1
253 1 28 ARG H 1 28 ARG HG3 5.000 . 5.000 4.184 3.540 4.837 . 0 0 "[ . 1 .]" 1
254 1 28 ARG H 1 29 LEU H 5.000 . 5.000 4.425 4.242 4.640 . 0 0 "[ . 1 .]" 1
255 1 28 ARG HA 1 28 ARG HG2 2.800 . 2.800 2.312 2.041 2.769 . 0 0 "[ . 1 .]" 1
256 1 28 ARG HA 1 29 LEU H 2.800 . 2.800 2.259 2.169 2.541 . 0 0 "[ . 1 .]" 1
257 1 28 ARG HB2 1 29 LEU H 5.000 . 5.000 4.240 3.846 4.402 . 0 0 "[ . 1 .]" 1
258 1 28 ARG HB2 1 82 MET H 5.000 . 5.000 4.452 3.721 4.957 . 0 0 "[ . 1 .]" 1
259 1 28 ARG HB3 1 28 ARG HD3 2.800 . 2.800 2.442 2.038 2.833 0.033 5 0 "[ . 1 .]" 1
260 1 28 ARG HB3 1 29 LEU H 3.400 . 3.400 3.254 2.688 3.413 0.013 8 0 "[ . 1 .]" 1
261 1 28 ARG HD3 1 28 ARG HG3 2.800 . 2.800 2.715 2.543 2.913 0.113 10 0 "[ . 1 .]" 1
262 1 28 ARG HD3 1 82 MET HG2 3.400 . 3.400 3.028 2.666 3.409 0.009 6 0 "[ . 1 .]" 1
263 1 28 ARG HG2 1 29 LEU H 3.400 . 3.400 2.818 2.029 3.401 0.001 3 0 "[ . 1 .]" 1
264 1 29 LEU H 1 29 LEU QD 5.000 . 5.000 3.896 3.783 4.014 . 0 0 "[ . 1 .]" 1
265 1 29 LEU H 1 29 LEU HG 5.000 . 5.000 4.629 4.605 4.655 . 0 0 "[ . 1 .]" 1
266 1 29 LEU H 1 30 GLU H 5.000 . 5.000 4.277 4.211 4.308 . 0 0 "[ . 1 .]" 1
267 1 29 LEU H 1 81 ALA HA 5.000 . 5.000 4.906 4.709 5.001 0.001 15 0 "[ . 1 .]" 1
268 1 29 LEU HA 1 30 GLU H 2.800 . 2.800 2.238 2.191 2.272 . 0 0 "[ . 1 .]" 1
269 1 29 LEU HA 1 81 ALA HA 2.800 . 2.800 2.171 1.992 2.296 . 0 0 "[ . 1 .]" 1
270 1 29 LEU HA 1 81 ALA MB 5.000 . 5.000 3.311 3.021 3.542 . 0 0 "[ . 1 .]" 1
271 1 29 LEU HA 1 82 MET H 3.400 . 3.400 2.913 2.255 3.347 . 0 0 "[ . 1 .]" 1
272 1 29 LEU HB2 1 29 LEU HG 2.800 . 2.800 2.741 2.698 2.789 . 0 0 "[ . 1 .]" 1
273 1 29 LEU HB2 1 30 GLU H 5.000 . 5.000 3.995 3.927 4.069 . 0 0 "[ . 1 .]" 1
274 1 29 LEU HB2 1 81 ALA HA 5.000 . 5.000 3.747 3.304 4.146 . 0 0 "[ . 1 .]" 1
275 1 29 LEU HB2 1 82 MET H 5.000 . 5.000 4.465 3.801 4.882 . 0 0 "[ . 1 .]" 1
276 1 29 LEU QD 1 30 GLU H 5.000 . 5.000 2.932 2.754 3.171 . 0 0 "[ . 1 .]" 1
277 1 29 LEU QD 1 30 GLU HA 5.000 . 5.000 3.077 2.734 3.429 . 0 0 "[ . 1 .]" 1
278 1 29 LEU QD 1 31 TRP H 5.000 . 5.000 3.671 3.356 3.856 . 0 0 "[ . 1 .]" 1
279 1 29 LEU QD 1 31 TRP HB3 5.000 . 5.000 4.847 4.667 4.975 . 0 0 "[ . 1 .]" 1
280 1 29 LEU QD 1 31 TRP HE1 5.000 . 5.000 4.365 3.565 5.002 0.002 6 0 "[ . 1 .]" 1
281 1 29 LEU QD 1 81 ALA HA 5.000 . 5.000 3.453 2.865 4.006 . 0 0 "[ . 1 .]" 1
282 1 29 LEU HG 1 30 GLU H 5.000 . 5.000 2.134 1.976 2.326 . 0 0 "[ . 1 .]" 1
283 1 29 LEU HG 1 31 TRP HA 5.000 . 5.000 4.997 4.957 5.007 0.007 8 0 "[ . 1 .]" 1
284 1 29 LEU HG 1 31 TRP HD1 5.000 . 5.000 4.579 3.993 5.003 0.003 14 0 "[ . 1 .]" 1
285 1 29 LEU HG 1 80 GLN H 5.000 . 5.000 3.818 3.443 4.230 . 0 0 "[ . 1 .]" 1
286 1 29 LEU HG 1 81 ALA HA 5.000 . 5.000 3.248 2.637 3.793 . 0 0 "[ . 1 .]" 1
287 1 30 GLU H 1 30 GLU HB3 3.400 . 3.400 3.302 3.223 3.384 . 0 0 "[ . 1 .]" 1
288 1 30 GLU H 1 30 GLU HG3 5.000 . 5.000 3.490 3.127 3.666 . 0 0 "[ . 1 .]" 1
289 1 30 GLU H 1 31 TRP H 5.000 . 5.000 4.346 4.261 4.404 . 0 0 "[ . 1 .]" 1
290 1 30 GLU H 1 81 ALA HA 5.000 . 5.000 2.936 2.597 3.235 . 0 0 "[ . 1 .]" 1
291 1 30 GLU H 1 81 ALA MB 5.000 . 5.000 4.216 3.884 4.461 . 0 0 "[ . 1 .]" 1
292 1 30 GLU HA 1 30 GLU HB3 2.800 . 2.800 2.404 2.362 2.462 . 0 0 "[ . 1 .]" 1
293 1 30 GLU HB3 1 31 TRP H 5.000 . 5.000 4.013 3.851 4.158 . 0 0 "[ . 1 .]" 1
294 1 30 GLU HG3 1 31 TRP H 5.000 . 5.000 4.416 4.181 4.617 . 0 0 "[ . 1 .]" 1
295 1 30 GLU HG3 1 31 TRP HA 5.000 . 5.000 4.733 4.272 4.998 . 0 0 "[ . 1 .]" 1
296 1 30 GLU HG3 1 80 GLN HB3 2.800 . 2.800 2.116 1.984 2.375 . 0 0 "[ . 1 .]" 1
297 1 31 TRP H 1 31 TRP HD1 5.000 . 5.000 4.378 4.096 4.619 . 0 0 "[ . 1 .]" 1
298 1 31 TRP H 1 32 LYS H 5.000 . 5.000 4.475 4.420 4.519 . 0 0 "[ . 1 .]" 1
299 1 31 TRP H 1 43 VAL HA 5.000 . 5.000 2.778 2.230 3.279 . 0 0 "[ . 1 .]" 1
300 1 31 TRP HA 1 31 TRP HE3 5.000 . 5.000 4.693 3.668 4.997 . 0 0 "[ . 1 .]" 1
301 1 31 TRP HA 1 32 LYS H 2.800 . 2.800 2.175 2.138 2.200 . 0 0 "[ . 1 .]" 1
302 1 31 TRP HA 1 80 GLN H 5.000 . 5.000 3.865 3.678 4.114 . 0 0 "[ . 1 .]" 1
303 1 31 TRP HA 1 80 GLN HB3 5.000 . 5.000 4.602 4.015 5.001 0.001 13 0 "[ . 1 .]" 1
304 1 31 TRP HB3 1 32 LYS H 5.000 3.400 5.000 3.648 3.497 3.873 . 0 0 "[ . 1 .]" 1
305 1 31 TRP HB3 1 42 LYS H 5.000 . 5.000 2.857 2.485 3.050 . 0 0 "[ . 1 .]" 1
306 1 31 TRP HB3 1 42 LYS HA 5.000 . 5.000 5.005 4.990 5.016 0.016 2 0 "[ . 1 .]" 1
307 1 31 TRP HB3 1 42 LYS HD3 5.000 . 5.000 4.772 4.277 5.008 0.008 12 0 "[ . 1 .]" 1
308 1 31 TRP HB3 1 43 VAL QG 5.000 . 5.000 4.737 4.048 5.012 0.012 2 0 "[ . 1 .]" 1
309 1 31 TRP HB3 1 44 LEU QD 5.000 . 5.000 3.397 2.737 3.943 . 0 0 "[ . 1 .]" 1
310 1 31 TRP HD1 1 44 LEU QD 5.000 . 5.000 3.552 1.825 4.397 . 0 0 "[ . 1 .]" 1
311 1 31 TRP HD1 1 58 VAL QG 5.000 3.400 5.000 4.600 3.724 5.009 0.009 8 0 "[ . 1 .]" 1
312 1 31 TRP HE1 1 58 VAL QG 5.000 . 5.000 4.538 3.081 4.993 . 0 0 "[ . 1 .]" 1
313 1 31 TRP HE3 1 40 ALA MB 5.000 . 5.000 4.790 4.434 5.022 0.022 11 0 "[ . 1 .]" 1
314 1 31 TRP HE3 1 44 LEU QD 5.000 . 5.000 4.610 3.581 5.007 0.007 13 0 "[ . 1 .]" 1
315 1 32 LYS H 1 32 LYS HB2 3.400 . 3.400 2.702 2.595 2.774 . 0 0 "[ . 1 .]" 1
316 1 32 LYS H 1 33 LEU H 5.000 . 5.000 4.290 4.195 4.364 . 0 0 "[ . 1 .]" 1
317 1 32 LYS H 1 78 ARG H 5.000 . 5.000 3.978 3.815 4.270 . 0 0 "[ . 1 .]" 1
318 1 32 LYS H 1 80 GLN H 5.000 . 5.000 4.675 4.418 4.967 . 0 0 "[ . 1 .]" 1
319 1 32 LYS HA 1 33 LEU H 2.800 . 2.800 2.194 2.145 2.257 . 0 0 "[ . 1 .]" 1
320 1 32 LYS HB2 1 32 LYS HD2 2.800 . 2.800 2.410 2.098 2.803 0.003 5 0 "[ . 1 .]" 1
321 1 32 LYS HB2 1 32 LYS HD3 3.400 . 3.400 3.350 3.291 3.401 0.001 5 0 "[ . 1 .]" 1
322 1 32 LYS HB2 1 33 LEU H 5.000 . 5.000 4.292 4.084 4.397 . 0 0 "[ . 1 .]" 1
323 1 32 LYS HB3 1 32 LYS HD2 2.800 . 2.800 2.748 2.683 2.803 0.003 1 0 "[ . 1 .]" 1
324 1 32 LYS HB3 1 32 LYS HD3 . . 3.400 2.714 2.351 3.315 . 0 0 "[ . 1 .]" 1
325 1 32 LYS HB3 1 33 LEU H 3.400 . 3.400 3.221 2.932 3.401 0.001 8 0 "[ . 1 .]" 1
326 1 32 LYS HG3 1 33 LEU H 5.000 . 5.000 4.601 4.100 4.982 . 0 0 "[ . 1 .]" 1
327 1 33 LEU H 1 33 LEU QD 5.000 . 5.000 3.090 2.673 3.329 . 0 0 "[ . 1 .]" 1
328 1 33 LEU H 1 33 LEU HG 3.400 . 3.400 2.301 2.127 2.536 . 0 0 "[ . 1 .]" 1
329 1 33 LEU H 1 41 TRP HB3 5.000 . 5.000 4.284 2.064 5.003 0.003 13 0 "[ . 1 .]" 1
330 1 33 LEU HA 1 34 ASN H 3.400 . 3.400 2.313 2.199 2.367 . 0 0 "[ . 1 .]" 1
331 1 33 LEU HB2 1 34 ASN H 5.000 . 5.000 2.708 2.494 3.243 . 0 0 "[ . 1 .]" 1
332 1 33 LEU HB3 1 34 ASN H 5.000 . 5.000 3.748 2.691 4.153 . 0 0 "[ . 1 .]" 1
333 1 33 LEU HB3 1 77 PHE HD1 5.000 . 5.000 3.276 1.991 5.645 0.645 11 1 "[ . 1+ .]" 1
334 1 33 LEU QD 1 77 PHE HA 5.000 . 5.000 3.241 2.193 3.596 . 0 0 "[ . 1 .]" 1
335 1 34 ASN H 1 76 ILE H 5.000 . 5.000 3.885 3.267 4.160 . 0 0 "[ . 1 .]" 1
336 1 34 ASN H 1 77 PHE HA 5.000 . 5.000 3.671 3.246 4.046 . 0 0 "[ . 1 .]" 1
337 1 35 THR HA 1 36 GLY H 3.400 . 3.400 2.488 2.279 2.586 . 0 0 "[ . 1 .]" 1
338 1 35 THR HA 1 76 ILE H 5.000 . 5.000 3.611 3.293 3.912 . 0 0 "[ . 1 .]" 1
339 1 35 THR HB 1 36 GLY H 2.800 . 2.800 2.757 2.355 2.809 0.009 3 0 "[ . 1 .]" 1
340 1 35 THR HB 1 38 THR HA 3.400 . 3.400 3.154 2.608 3.417 0.017 4 0 "[ . 1 .]" 1
341 1 35 THR HG1 1 74 GLU HB3 5.000 . 5.000 4.385 3.846 5.003 0.003 11 0 "[ . 1 .]" 1
342 1 35 THR MG 1 36 GLY H 5.000 . 5.000 2.379 1.937 3.532 . 0 0 "[ . 1 .]" 1
343 1 35 THR MG 1 75 GLY HA2 5.000 . 5.000 2.728 2.247 4.116 . 0 0 "[ . 1 .]" 1
344 1 36 GLY H 1 36 GLY HA2 2.800 . 2.800 2.819 2.797 2.842 0.042 3 0 "[ . 1 .]" 1
345 1 36 GLY H 1 37 ARG H 5.000 . 5.000 2.880 2.572 4.209 . 0 0 "[ . 1 .]" 1
346 1 36 GLY H 1 75 GLY HA2 5.000 . 5.000 4.847 4.237 5.001 0.001 4 0 "[ . 1 .]" 1
347 1 36 GLY HA3 1 37 ARG H 5.000 . 5.000 2.739 2.466 3.469 . 0 0 "[ . 1 .]" 1
348 1 37 ARG HB3 1 38 THR HA 5.000 . 5.000 4.769 4.458 5.022 0.022 13 0 "[ . 1 .]" 1
349 1 39 GLU HA 1 40 ALA H 3.400 . 3.400 2.898 2.203 3.428 0.028 7 0 "[ . 1 .]" 1
350 1 39 GLU HB2 1 40 ALA H 5.000 . 5.000 4.108 3.385 4.661 . 0 0 "[ . 1 .]" 1
351 1 39 GLU HB3 1 40 ALA H 5.000 . 5.000 4.153 3.335 4.647 . 0 0 "[ . 1 .]" 1
352 1 40 ALA HA 1 41 TRP H 3.400 . 3.400 3.431 3.280 3.522 0.122 3 0 "[ . 1 .]" 1
353 1 40 ALA MB 1 41 TRP H 3.400 . 3.400 2.877 1.941 3.324 . 0 0 "[ . 1 .]" 1
354 1 40 ALA MB 1 41 TRP HB2 5.000 . 5.000 4.647 4.380 5.080 0.080 12 0 "[ . 1 .]" 1
355 1 40 ALA MB 1 41 TRP HB3 5.000 . 5.000 4.781 3.699 5.045 0.045 14 0 "[ . 1 .]" 1
356 1 40 ALA MB 1 52 TRP HD1 5.000 . 5.000 3.432 3.003 4.575 . 0 0 "[ . 1 .]" 1
357 1 41 TRP H 1 41 TRP HD1 5.000 . 5.000 4.636 2.007 5.011 0.011 15 0 "[ . 1 .]" 1
358 1 41 TRP H 1 42 LYS H 5.000 . 5.000 4.474 4.391 4.585 . 0 0 "[ . 1 .]" 1
359 1 41 TRP HA 1 42 LYS H 5.000 . 5.000 2.141 2.132 2.170 . 0 0 "[ . 1 .]" 1
360 1 42 LYS H 1 42 LYS HD3 5.000 . 5.000 4.722 4.464 4.992 . 0 0 "[ . 1 .]" 1
361 1 42 LYS H 1 52 TRP HB3 5.000 . 5.000 4.986 4.886 5.014 0.014 6 0 "[ . 1 .]" 1
362 1 42 LYS HA 1 42 LYS HD3 5.000 . 5.000 4.030 3.726 5.008 0.008 9 0 "[ . 1 .]" 1
363 1 42 LYS HA 1 52 TRP HB2 5.000 . 5.000 4.332 4.115 4.559 . 0 0 "[ . 1 .]" 1
364 1 42 LYS HA 1 52 TRP HB3 5.000 . 5.000 4.412 3.736 4.880 . 0 0 "[ . 1 .]" 1
365 1 42 LYS HE2 1 43 VAL H 5.000 . 5.000 4.222 3.211 5.004 0.004 9 0 "[ . 1 .]" 1
366 1 43 VAL H 1 43 VAL HB 3.400 . 3.400 2.737 2.606 3.075 . 0 0 "[ . 1 .]" 1
367 1 43 VAL HA 1 44 LEU H 3.400 . 3.400 2.189 2.144 2.323 . 0 0 "[ . 1 .]" 1
368 1 43 VAL QG 1 44 LEU H 5.000 . 5.000 2.370 1.925 2.818 . 0 0 "[ . 1 .]" 1
369 1 44 LEU H 1 44 LEU QD 5.000 . 5.000 2.287 1.962 2.811 . 0 0 "[ . 1 .]" 1
370 1 44 LEU HB3 1 45 SER H 3.400 . 3.400 3.299 3.144 3.415 0.015 13 0 "[ . 1 .]" 1
371 1 44 LEU HB3 1 58 VAL QG 5.000 . 5.000 4.697 3.800 5.009 0.009 9 0 "[ . 1 .]" 1
372 1 44 LEU QD 1 45 SER H 5.000 . 5.000 3.521 2.311 4.339 . 0 0 "[ . 1 .]" 1
373 1 44 LEU QD 1 58 VAL QG 5.000 . 5.000 2.299 1.872 3.223 . 0 0 "[ . 1 .]" 1
374 1 45 SER H 1 48 GLY H 5.000 . 5.000 4.555 3.882 5.013 0.013 15 0 "[ . 1 .]" 1
375 1 45 SER HA 1 46 PRO HG3 5.000 . 5.000 4.559 4.440 4.676 . 0 0 "[ . 1 .]" 1
376 1 46 PRO HA 1 47 GLN H 3.400 . 3.400 3.189 2.350 3.424 0.024 5 0 "[ . 1 .]" 1
377 1 46 PRO HD2 1 46 PRO HG2 2.800 . 2.800 2.305 2.293 2.312 . 0 0 "[ . 1 .]" 1
378 1 46 PRO HD2 1 46 PRO HG3 2.800 . 2.800 2.710 2.696 2.735 . 0 0 "[ . 1 .]" 1
379 1 46 PRO HD2 1 47 GLN H 5.000 . 5.000 3.289 2.691 5.005 0.005 3 0 "[ . 1 .]" 1
380 1 47 GLN H 1 47 GLN QB 3.400 . 3.400 2.769 2.451 2.986 . 0 0 "[ . 1 .]" 1
381 1 47 GLN H 1 47 GLN HG3 5.000 . 5.000 4.633 4.430 4.781 . 0 0 "[ . 1 .]" 1
382 1 47 GLN HA 1 47 GLN HB2 2.800 . 2.800 2.625 2.455 2.799 . 0 0 "[ . 1 .]" 1
383 1 47 GLN HA 1 47 GLN HG3 2.800 . 2.800 2.405 2.085 2.809 0.009 9 0 "[ . 1 .]" 1
384 1 47 GLN HA 1 48 GLY H 5.000 . 5.000 2.839 2.205 3.575 . 0 0 "[ . 1 .]" 1
385 1 47 GLN HB3 1 48 GLY H 5.000 . 5.000 3.658 2.208 4.443 . 0 0 "[ . 1 .]" 1
386 1 48 GLY HA3 1 49 GLY H 5.000 . 5.000 2.486 2.154 3.202 . 0 0 "[ . 1 .]" 1
387 1 49 GLY HA2 1 50 GLY H 3.400 . 3.400 2.620 2.148 3.074 . 0 0 "[ . 1 .]" 1
388 1 49 GLY HA3 1 50 GLY H 3.400 . 3.400 2.604 2.184 3.365 . 0 0 "[ . 1 .]" 1
389 1 52 TRP H 1 53 ASP H 5.000 . 5.000 2.638 2.423 2.716 . 0 0 "[ . 1 .]" 1
390 1 52 TRP HA 1 52 TRP HE3 5.000 . 5.000 4.812 4.609 5.006 0.006 15 0 "[ . 1 .]" 1
391 1 52 TRP HB2 1 53 ASP H 5.000 . 5.000 4.102 3.972 4.190 . 0 0 "[ . 1 .]" 1
392 1 52 TRP HB3 1 53 ASP H 5.000 . 5.000 3.067 2.915 3.228 . 0 0 "[ . 1 .]" 1
393 1 52 TRP HB3 1 55 VAL HB 5.000 . 5.000 4.927 4.651 5.016 0.016 7 0 "[ . 1 .]" 1
394 1 52 TRP HD1 1 66 LEU QD 5.000 . 5.000 4.822 4.369 5.014 0.014 9 0 "[ . 1 .]" 1
395 1 52 TRP HH2 1 64 LEU HB3 5.000 . 5.000 4.682 4.378 4.936 . 0 0 "[ . 1 .]" 1
396 1 52 TRP HH2 1 64 LEU HG 2.800 . 2.800 2.588 2.027 2.828 0.028 7 0 "[ . 1 .]" 1
397 1 52 TRP HZ2 1 64 LEU HG 5.000 . 5.000 4.171 3.336 4.902 . 0 0 "[ . 1 .]" 1
398 1 52 TRP HZ3 1 58 VAL QG 5.000 . 5.000 3.167 2.270 4.646 . 0 0 "[ . 1 .]" 1
399 1 53 ASP H 1 53 ASP HA 2.800 . 2.800 2.770 2.762 2.790 . 0 0 "[ . 1 .]" 1
400 1 53 ASP H 1 53 ASP HB2 2.800 . 2.800 2.420 2.275 2.525 . 0 0 "[ . 1 .]" 1
401 1 53 ASP H 1 53 ASP HB3 2.800 . 2.800 2.650 2.528 2.811 0.011 11 0 "[ . 1 .]" 1
402 1 53 ASP H 1 54 SER HB2 5.000 . 5.000 4.850 4.744 4.998 . 0 0 "[ . 1 .]" 1
403 1 53 ASP HA 1 56 ALA H 5.000 . 5.000 3.500 3.111 4.032 . 0 0 "[ . 1 .]" 1
404 1 53 ASP HB2 1 57 ARG HD3 5.000 . 5.000 4.851 4.371 5.009 0.009 5 0 "[ . 1 .]" 1
405 1 53 ASP HB3 1 57 ARG HD2 5.000 . 5.000 4.613 4.156 5.012 0.012 7 0 "[ . 1 .]" 1
406 1 54 SER H 1 54 SER HB3 3.400 . 3.400 2.893 2.716 3.015 . 0 0 "[ . 1 .]" 1
407 1 54 SER HA 1 54 SER HB2 2.800 . 2.800 2.653 2.555 2.716 . 0 0 "[ . 1 .]" 1
408 1 54 SER HA 1 55 VAL H 3.400 . 3.400 3.428 3.417 3.442 0.042 1 0 "[ . 1 .]" 1
409 1 55 VAL H 1 55 VAL HB 3.400 . 3.400 2.598 2.554 2.625 . 0 0 "[ . 1 .]" 1
410 1 55 VAL H 1 56 ALA H 2.800 . 2.800 2.400 2.224 2.731 . 0 0 "[ . 1 .]" 1
411 1 55 VAL H 1 56 ALA MB 5.000 . 5.000 4.538 4.405 4.770 . 0 0 "[ . 1 .]" 1
412 1 55 VAL HA 1 56 ALA H 5.000 3.400 5.000 3.529 3.497 3.571 . 0 0 "[ . 1 .]" 1
413 1 55 VAL HA 1 67 PRO HD2 5.000 . 5.000 3.830 3.579 4.054 . 0 0 "[ . 1 .]" 1
414 1 55 VAL HA 1 67 PRO HD3 5.000 . 5.000 4.939 4.698 5.009 0.009 10 0 "[ . 1 .]" 1
415 1 55 VAL HB 1 56 ALA H 2.800 . 2.800 2.544 1.916 2.813 0.013 9 0 "[ . 1 .]" 1
416 1 55 VAL HB 1 56 ALA MB 5.000 . 5.000 3.341 3.256 3.455 . 0 0 "[ . 1 .]" 1
417 1 55 VAL QG 1 56 ALA H 5.000 . 5.000 3.213 2.735 3.372 . 0 0 "[ . 1 .]" 1
418 1 56 ALA H 1 56 ALA MB 3.400 . 3.400 2.695 2.470 2.874 . 0 0 "[ . 1 .]" 1
419 1 56 ALA H 1 57 ARG H 5.000 . 5.000 4.335 4.118 4.477 . 0 0 "[ . 1 .]" 1
420 1 56 ALA H 1 66 LEU HG 5.000 . 5.000 4.867 4.460 5.026 0.026 7 0 "[ . 1 .]" 1
421 1 56 ALA HA 1 57 ARG H 2.800 . 2.800 2.326 2.169 2.516 . 0 0 "[ . 1 .]" 1
422 1 56 ALA HA 1 65 PHE H 5.000 . 5.000 4.788 4.328 5.008 0.008 5 0 "[ . 1 .]" 1
423 1 56 ALA HA 1 66 LEU QD 5.000 . 5.000 3.648 2.795 4.284 . 0 0 "[ . 1 .]" 1
424 1 56 ALA MB 1 57 ARG H 5.000 . 5.000 2.657 2.187 3.061 . 0 0 "[ . 1 .]" 1
425 1 56 ALA MB 1 64 LEU HA 5.000 . 5.000 4.526 4.296 4.801 . 0 0 "[ . 1 .]" 1
426 1 56 ALA MB 1 64 LEU HB3 5.000 . 5.000 4.654 4.129 5.005 0.005 15 0 "[ . 1 .]" 1
427 1 56 ALA MB 1 64 LEU QD 5.000 . 5.000 2.305 1.841 3.122 . 0 0 "[ . 1 .]" 1
428 1 56 ALA MB 1 64 LEU HG 5.000 . 5.000 3.278 2.800 4.079 . 0 0 "[ . 1 .]" 1
429 1 56 ALA MB 1 65 PHE H 5.000 . 5.000 3.670 3.209 4.270 . 0 0 "[ . 1 .]" 1
430 1 56 ALA MB 1 66 LEU HG 5.000 . 5.000 1.864 1.785 2.019 0.015 9 0 "[ . 1 .]" 1
431 1 57 ARG H 1 57 ARG HD2 5.000 . 5.000 4.970 4.754 5.019 0.019 8 0 "[ . 1 .]" 1
432 1 57 ARG H 1 58 VAL H 5.000 . 5.000 4.424 4.283 4.526 . 0 0 "[ . 1 .]" 1
433 1 57 ARG H 1 64 LEU HA 5.000 . 5.000 4.573 4.214 4.886 . 0 0 "[ . 1 .]" 1
434 1 57 ARG H 1 64 LEU QD 5.000 . 5.000 4.016 2.654 4.496 . 0 0 "[ . 1 .]" 1
435 1 57 ARG H 1 64 LEU HG 5.000 . 5.000 4.262 3.803 4.714 . 0 0 "[ . 1 .]" 1
436 1 57 ARG H 1 66 LEU QD 5.000 . 5.000 4.513 3.956 4.950 . 0 0 "[ . 1 .]" 1
437 1 57 ARG H 1 67 PRO HD3 5.000 . 5.000 4.176 3.644 4.680 . 0 0 "[ . 1 .]" 1
438 1 57 ARG HA 1 64 LEU HG 5.000 . 5.000 4.909 4.632 5.019 0.019 9 0 "[ . 1 .]" 1
439 1 57 ARG HB3 1 57 ARG HD3 3.400 . 3.400 3.442 3.352 3.504 0.104 6 0 "[ . 1 .]" 1
440 1 57 ARG HB3 1 58 VAL H 5.000 . 5.000 3.011 2.257 3.699 . 0 0 "[ . 1 .]" 1
441 1 57 ARG HD3 1 57 ARG HG3 2.800 . 2.800 2.800 2.434 2.935 0.135 10 0 "[ . 1 .]" 1
442 1 57 ARG HD3 1 58 VAL H 5.000 . 5.000 4.778 4.278 5.010 0.010 11 0 "[ . 1 .]" 1
443 1 57 ARG HG2 1 58 VAL H 5.000 . 5.000 4.147 3.132 4.826 . 0 0 "[ . 1 .]" 1
444 1 58 VAL H 1 58 VAL HB 2.800 . 2.800 2.641 2.575 2.726 . 0 0 "[ . 1 .]" 1
445 1 58 VAL H 1 58 VAL QG . . 3.400 2.235 1.927 2.626 . 0 0 "[ . 1 .]" 1
446 1 58 VAL H 1 59 LEU H 5.000 . 5.000 4.444 4.200 4.580 . 0 0 "[ . 1 .]" 1
447 1 58 VAL H 1 64 LEU QD 5.000 . 5.000 4.534 3.919 4.952 . 0 0 "[ . 1 .]" 1
448 1 58 VAL HA 1 58 VAL QG 2.800 . 2.800 2.168 2.089 2.317 . 0 0 "[ . 1 .]" 1
449 1 58 VAL HA 1 59 LEU H 2.800 . 2.800 2.158 2.141 2.205 . 0 0 "[ . 1 .]" 1
450 1 58 VAL HA 1 64 LEU QD 5.000 . 5.000 3.399 2.186 3.814 . 0 0 "[ . 1 .]" 1
451 1 58 VAL HA 1 65 PHE H 5.000 . 5.000 3.845 3.648 4.133 . 0 0 "[ . 1 .]" 1
452 1 58 VAL QG 1 59 LEU H 5.000 . 5.000 2.507 2.191 2.790 . 0 0 "[ . 1 .]" 1
453 1 58 VAL QG 1 62 GLY HA2 5.000 . 5.000 2.660 2.393 3.201 . 0 0 "[ . 1 .]" 1
454 1 58 VAL QG 1 62 GLY HA3 5.000 . 5.000 4.016 3.734 4.593 . 0 0 "[ . 1 .]" 1
455 1 58 VAL QG 1 63 SER H 3.400 . 3.400 2.705 2.339 3.099 . 0 0 "[ . 1 .]" 1
456 1 58 VAL QG 1 64 LEU HB2 5.000 . 5.000 3.893 3.338 4.376 . 0 0 "[ . 1 .]" 1
457 1 58 VAL QG 1 64 LEU QD 3.400 . 3.400 2.441 1.883 3.038 . 0 0 "[ . 1 .]" 1
458 1 59 LEU H 1 62 GLY H 5.000 . 5.000 4.453 4.225 4.733 . 0 0 "[ . 1 .]" 1
459 1 59 LEU H 1 63 SER H 5.000 . 5.000 2.767 2.595 3.087 . 0 0 "[ . 1 .]" 1
460 1 59 LEU H 1 64 LEU HA 5.000 . 5.000 3.267 2.927 3.488 . 0 0 "[ . 1 .]" 1
461 1 59 LEU H 1 64 LEU QD 5.000 . 5.000 4.681 3.643 5.009 0.009 12 0 "[ . 1 .]" 1
462 1 59 LEU H 1 65 PHE H 5.000 . 5.000 4.360 3.941 4.660 . 0 0 "[ . 1 .]" 1
463 1 59 LEU HB2 1 61 ASN H 5.000 . 5.000 3.575 3.244 4.242 . 0 0 "[ . 1 .]" 1
464 1 59 LEU HB2 1 63 SER H 3.400 . 3.400 2.557 2.199 3.037 . 0 0 "[ . 1 .]" 1
465 1 59 LEU HB3 1 61 ASN H 5.000 . 5.000 2.479 2.299 2.677 . 0 0 "[ . 1 .]" 1
466 1 59 LEU HB3 1 62 GLY H 5.000 . 5.000 3.948 2.979 4.357 . 0 0 "[ . 1 .]" 1
467 1 59 LEU HB3 1 63 SER H 5.000 . 5.000 3.441 2.578 3.897 . 0 0 "[ . 1 .]" 1
468 1 60 PRO HA 1 62 GLY H 5.000 . 5.000 3.573 3.494 3.784 . 0 0 "[ . 1 .]" 1
469 1 61 ASN H 1 62 GLY H 3.400 . 3.400 2.606 2.509 2.666 . 0 0 "[ . 1 .]" 1
470 1 61 ASN H 1 63 SER H 5.000 . 5.000 3.727 3.608 3.913 . 0 0 "[ . 1 .]" 1
471 1 61 ASN H 1 63 SER HB3 5.000 . 5.000 4.860 4.624 5.003 0.003 8 0 "[ . 1 .]" 1
472 1 61 ASN HA 1 61 ASN HB2 2.800 . 2.800 2.616 2.444 2.842 0.042 4 0 "[ . 1 .]" 1
473 1 61 ASN HA 1 61 ASN HB3 2.800 . 2.800 2.601 2.378 2.848 0.048 9 0 "[ . 1 .]" 1
474 1 61 ASN HA 1 62 GLY H 3.400 . 3.400 3.209 3.132 3.364 . 0 0 "[ . 1 .]" 1
475 1 62 GLY H 1 62 GLY HA2 2.800 . 2.800 2.317 2.297 2.379 . 0 0 "[ . 1 .]" 1
476 1 62 GLY H 1 63 SER H 2.800 . 2.800 2.482 2.237 2.654 . 0 0 "[ . 1 .]" 1
477 1 62 GLY H 1 63 SER HB3 5.000 . 5.000 4.934 4.485 5.016 0.016 9 0 "[ . 1 .]" 1
478 1 62 GLY HA2 1 63 SER H 3.400 . 3.400 2.795 2.714 2.849 . 0 0 "[ . 1 .]" 1
479 1 62 GLY HA3 1 63 SER H 5.000 3.400 5.000 3.537 3.523 3.554 . 0 0 "[ . 1 .]" 1
480 1 63 SER H 1 63 SER HB3 2.800 . 2.800 2.805 2.763 2.821 0.021 9 0 "[ . 1 .]" 1
481 1 63 SER H 1 64 LEU H 5.000 . 5.000 4.395 4.331 4.450 . 0 0 "[ . 1 .]" 1
482 1 63 SER HB3 1 64 LEU H 3.400 . 3.400 2.838 2.561 3.224 . 0 0 "[ . 1 .]" 1
483 1 64 LEU H 1 64 LEU HB2 3.400 . 3.400 2.891 2.594 3.228 . 0 0 "[ . 1 .]" 1
484 1 64 LEU H 1 64 LEU HB3 3.400 . 3.400 3.193 3.028 3.349 . 0 0 "[ . 1 .]" 1
485 1 64 LEU H 1 64 LEU QD 5.000 . 5.000 3.963 3.705 4.075 . 0 0 "[ . 1 .]" 1
486 1 64 LEU H 1 64 LEU HG 5.000 . 5.000 4.601 4.452 4.791 . 0 0 "[ . 1 .]" 1
487 1 64 LEU H 1 65 PHE H 5.000 . 5.000 4.168 3.861 4.432 . 0 0 "[ . 1 .]" 1
488 1 64 LEU HA 1 64 LEU QD 3.400 . 3.400 2.790 2.029 3.027 . 0 0 "[ . 1 .]" 1
489 1 64 LEU HA 1 65 PHE H 2.800 . 2.800 2.165 2.141 2.213 . 0 0 "[ . 1 .]" 1
490 1 64 LEU HB2 1 65 PHE H 5.000 . 5.000 4.442 4.321 4.591 . 0 0 "[ . 1 .]" 1
491 1 64 LEU HB3 1 65 PHE H 5.000 . 5.000 3.830 3.539 4.181 . 0 0 "[ . 1 .]" 1
492 1 64 LEU QD 1 65 PHE H 3.400 . 3.400 3.325 2.886 3.435 0.035 7 0 "[ . 1 .]" 1
493 1 64 LEU QD 1 65 PHE HA 5.000 . 5.000 4.153 3.541 4.961 . 0 0 "[ . 1 .]" 1
494 1 65 PHE H 1 65 PHE HB2 3.400 . 3.400 3.184 3.006 3.372 . 0 0 "[ . 1 .]" 1
495 1 65 PHE H 1 65 PHE HB3 2.800 . 2.800 2.644 2.497 2.803 0.003 9 0 "[ . 1 .]" 1
496 1 65 PHE H 1 66 LEU H 5.000 . 5.000 4.339 4.197 4.454 . 0 0 "[ . 1 .]" 1
497 1 65 PHE HA 1 66 LEU H 2.800 . 2.800 2.170 2.140 2.216 . 0 0 "[ . 1 .]" 1
498 1 65 PHE HB2 1 66 LEU H 5.000 . 5.000 4.150 3.973 4.377 . 0 0 "[ . 1 .]" 1
499 1 66 LEU H 1 66 LEU HB2 3.400 . 3.400 2.479 2.321 2.882 . 0 0 "[ . 1 .]" 1
500 1 66 LEU H 1 66 LEU QD 5.000 . 5.000 3.053 2.002 3.810 . 0 0 "[ . 1 .]" 1
501 1 66 LEU H 1 66 LEU HG 5.000 . 5.000 3.866 3.398 4.307 . 0 0 "[ . 1 .]" 1
502 1 66 LEU HB2 1 69 VAL H 5.000 . 5.000 4.694 3.922 5.004 0.004 2 0 "[ . 1 .]" 1
503 1 66 LEU QD 1 67 PRO HD3 5.000 . 5.000 3.920 2.700 4.528 . 0 0 "[ . 1 .]" 1
504 1 66 LEU QD 1 68 ALA H 5.000 . 5.000 3.776 2.222 5.003 0.003 7 0 "[ . 1 .]" 1
505 1 67 PRO HA 1 67 PRO HB3 2.800 . 2.800 2.295 2.283 2.308 . 0 0 "[ . 1 .]" 1
506 1 67 PRO HA 1 68 ALA H 5.000 . 5.000 3.551 3.484 3.574 . 0 0 "[ . 1 .]" 1
507 1 67 PRO HB2 1 67 PRO HD2 3.400 . 3.400 2.956 2.931 2.967 . 0 0 "[ . 1 .]" 1
508 1 67 PRO HB2 1 68 ALA H 5.000 . 5.000 2.431 1.996 3.002 . 0 0 "[ . 1 .]" 1
509 1 67 PRO HB2 1 68 ALA MB 5.000 . 5.000 3.099 3.016 3.204 . 0 0 "[ . 1 .]" 1
510 1 67 PRO HB3 1 68 ALA H 5.000 . 5.000 3.837 3.523 4.207 . 0 0 "[ . 1 .]" 1
511 1 67 PRO HD2 1 67 PRO HG2 2.800 . 2.800 2.314 2.307 2.322 . 0 0 "[ . 1 .]" 1
512 1 67 PRO HD2 1 68 ALA H 5.000 . 5.000 2.743 2.574 2.930 . 0 0 "[ . 1 .]" 1
513 1 67 PRO HD3 1 68 ALA H 5.000 . 5.000 4.058 3.870 4.265 . 0 0 "[ . 1 .]" 1
514 1 67 PRO HG3 1 68 ALA H 5.000 . 5.000 4.479 4.382 4.612 . 0 0 "[ . 1 .]" 1
515 1 68 ALA H 1 68 ALA MB . . 3.400 2.646 2.389 2.836 . 0 0 "[ . 1 .]" 1
516 1 68 ALA H 1 69 VAL H 5.000 . 5.000 3.830 3.641 4.038 . 0 0 "[ . 1 .]" 1
517 1 68 ALA HA 1 69 VAL H 2.800 . 2.800 2.184 2.151 2.298 . 0 0 "[ . 1 .]" 1
518 1 68 ALA HA 1 69 VAL HA 5.000 . 5.000 4.439 4.407 4.511 . 0 0 "[ . 1 .]" 1
519 1 69 VAL H 1 69 VAL HB 2.800 . 2.800 2.615 2.595 2.661 . 0 0 "[ . 1 .]" 1
520 1 69 VAL H 1 69 VAL QG . . 2.800 2.245 2.039 2.437 . 0 0 "[ . 1 .]" 1
521 1 69 VAL H 1 70 GLY H 5.000 . 5.000 4.413 4.345 4.464 . 0 0 "[ . 1 .]" 1
522 1 69 VAL HA 1 69 VAL QG . . 2.800 2.137 2.093 2.325 . 0 0 "[ . 1 .]" 1
523 1 69 VAL HA 1 70 GLY H 2.800 . 2.800 2.150 2.146 2.157 . 0 0 "[ . 1 .]" 1
524 1 69 VAL HA 1 73 ASP HB2 5.000 . 5.000 2.979 2.784 3.233 . 0 0 "[ . 1 .]" 1
525 1 69 VAL HA 1 73 ASP HB3 5.000 . 5.000 3.781 3.402 4.565 . 0 0 "[ . 1 .]" 1
526 1 69 VAL HB 1 70 GLY H 5.000 . 5.000 4.256 4.187 4.363 . 0 0 "[ . 1 .]" 1
527 1 69 VAL QG 1 70 GLY H . . 3.400 2.761 2.547 2.943 . 0 0 "[ . 1 .]" 1
528 1 69 VAL QG 1 70 GLY HA2 5.000 . 5.000 3.657 3.494 3.778 . 0 0 "[ . 1 .]" 1
529 1 69 VAL QG 1 73 ASP H 5.000 . 5.000 3.793 3.639 3.962 . 0 0 "[ . 1 .]" 1
530 1 70 GLY H 1 71 ILE H 5.000 . 5.000 4.193 3.762 4.353 . 0 0 "[ . 1 .]" 1
531 1 70 GLY H 1 72 GLN H 5.000 . 5.000 4.047 3.077 4.413 . 0 0 "[ . 1 .]" 1
532 1 70 GLY H 1 73 ASP H 5.000 . 5.000 3.106 2.882 3.222 . 0 0 "[ . 1 .]" 1
533 1 70 GLY H 1 73 ASP HB2 3.400 . 3.400 2.449 2.000 2.888 . 0 0 "[ . 1 .]" 1
534 1 70 GLY H 1 73 ASP HB3 5.000 . 5.000 3.787 3.228 4.264 . 0 0 "[ . 1 .]" 1
535 1 70 GLY H 1 97 VAL QG 5.000 . 5.000 4.005 3.761 4.227 . 0 0 "[ . 1 .]" 1
536 1 70 GLY HA3 1 71 ILE H 2.800 . 2.800 2.294 2.134 2.411 . 0 0 "[ . 1 .]" 1
537 1 71 ILE H 1 71 ILE HG12 5.000 . 5.000 2.893 1.991 3.566 . 0 0 "[ . 1 .]" 1
538 1 71 ILE H 1 71 ILE HG13 2.800 . 2.800 2.142 1.975 2.802 0.002 6 0 "[ . 1 .]" 1
539 1 71 ILE H 1 73 ASP H 5.000 . 5.000 4.086 3.932 4.195 . 0 0 "[ . 1 .]" 1
540 1 71 ILE H 1 74 GLU H 5.000 . 5.000 4.959 4.748 5.022 0.022 9 0 "[ . 1 .]" 1
541 1 71 ILE HA 1 72 GLN H 5.000 3.400 5.000 3.514 3.471 3.563 . 0 0 "[ . 1 .]" 1
542 1 71 ILE HA 1 74 GLU H 5.000 . 5.000 3.227 3.017 3.381 . 0 0 "[ . 1 .]" 1
543 1 71 ILE HA 1 74 GLU HG2 5.000 . 5.000 3.489 3.371 3.650 . 0 0 "[ . 1 .]" 1
544 1 71 ILE HA 1 74 GLU HG3 5.000 . 5.000 1.977 1.947 1.997 . 0 0 "[ . 1 .]" 1
545 1 71 ILE HB 1 72 GLN HA 5.000 . 5.000 4.302 3.964 4.496 . 0 0 "[ . 1 .]" 1
546 1 71 ILE HB 1 72 GLN HG3 5.000 . 5.000 4.311 3.123 4.836 . 0 0 "[ . 1 .]" 1
547 1 71 ILE HB 1 74 GLU H 5.000 . 5.000 4.905 4.674 5.037 0.037 4 0 "[ . 1 .]" 1
548 1 71 ILE HB 1 74 GLU HG3 5.000 . 5.000 4.266 4.043 4.934 . 0 0 "[ . 1 .]" 1
549 1 71 ILE HG13 1 72 GLN H 5.000 . 5.000 2.336 1.977 4.409 . 0 0 "[ . 1 .]" 1
550 1 72 GLN H 1 72 GLN HG3 2.800 . 2.800 2.475 2.199 2.794 . 0 0 "[ . 1 .]" 1
551 1 72 GLN H 1 73 ASP H 2.800 . 2.800 2.618 2.558 2.725 . 0 0 "[ . 1 .]" 1
552 1 72 GLN H 1 74 GLU H 5.000 . 5.000 4.054 3.969 4.125 . 0 0 "[ . 1 .]" 1
553 1 72 GLN HA 1 72 GLN HG3 2.800 . 2.800 2.575 2.419 2.778 . 0 0 "[ . 1 .]" 1
554 1 72 GLN HA 1 73 ASP H 5.000 . 5.000 3.437 3.337 3.487 . 0 0 "[ . 1 .]" 1
555 1 72 GLN HA 1 74 GLU H 5.000 3.400 5.000 4.041 3.873 4.255 . 0 0 "[ . 1 .]" 1
556 1 72 GLN HB3 1 73 ASP H 5.000 . 5.000 3.995 3.684 4.292 . 0 0 "[ . 1 .]" 1
557 1 72 GLN HG3 1 73 ASP H 5.000 . 5.000 4.590 4.377 4.869 . 0 0 "[ . 1 .]" 1
558 1 73 ASP H 1 73 ASP HB2 2.800 . 2.800 2.341 2.172 2.554 . 0 0 "[ . 1 .]" 1
559 1 73 ASP H 1 74 GLU H 2.800 . 2.800 2.294 1.987 2.466 . 0 0 "[ . 1 .]" 1
560 1 73 ASP H 1 74 GLU HB2 5.000 . 5.000 4.554 4.229 4.780 . 0 0 "[ . 1 .]" 1
561 1 73 ASP H 1 97 VAL QG 5.000 . 5.000 3.902 3.630 4.110 . 0 0 "[ . 1 .]" 1
562 1 73 ASP HB2 1 74 GLU H 5.000 . 5.000 3.480 3.113 4.022 . 0 0 "[ . 1 .]" 1
563 1 73 ASP HB3 1 74 GLU H 5.000 . 5.000 3.649 3.042 4.033 . 0 0 "[ . 1 .]" 1
564 1 74 GLU H 1 74 GLU HB2 2.800 . 2.800 2.485 2.335 2.595 . 0 0 "[ . 1 .]" 1
565 1 74 GLU H 1 74 GLU HG3 2.800 . 2.800 2.229 2.049 2.517 . 0 0 "[ . 1 .]" 1
566 1 74 GLU H 1 75 GLY H 5.000 . 5.000 4.606 4.569 4.638 . 0 0 "[ . 1 .]" 1
567 1 74 GLU H 1 95 VAL QG 5.000 . 5.000 4.875 4.474 5.006 0.006 3 0 "[ . 1 .]" 1
568 1 74 GLU H 1 97 VAL QG . . 3.400 3.364 3.232 3.418 0.018 6 0 "[ . 1 .]" 1
569 1 74 GLU HA 1 74 GLU HB3 2.800 . 2.800 2.517 2.462 2.587 . 0 0 "[ . 1 .]" 1
570 1 74 GLU HA 1 74 GLU HG2 3.400 . 3.400 2.532 2.404 2.642 . 0 0 "[ . 1 .]" 1
571 1 74 GLU HA 1 74 GLU HG3 3.400 . 3.400 2.977 2.831 3.172 . 0 0 "[ . 1 .]" 1
572 1 74 GLU HA 1 75 GLY H 2.800 . 2.800 2.549 2.487 2.614 . 0 0 "[ . 1 .]" 1
573 1 74 GLU HA 1 75 GLY HA2 5.000 . 5.000 4.723 4.657 4.757 . 0 0 "[ . 1 .]" 1
574 1 74 GLU HA 1 95 VAL H 5.000 . 5.000 4.676 4.196 4.992 . 0 0 "[ . 1 .]" 1
575 1 74 GLU HA 1 95 VAL QG 5.000 3.400 5.000 3.400 3.383 3.488 0.017 3 0 "[ . 1 .]" 1
576 1 74 GLU HA 1 96 ARG HD3 5.000 . 5.000 4.595 3.893 4.998 . 0 0 "[ . 1 .]" 1
577 1 74 GLU HA 1 97 VAL H 5.000 . 5.000 4.332 3.966 4.677 . 0 0 "[ . 1 .]" 1
578 1 74 GLU HA 1 97 VAL QG 5.000 . 5.000 3.406 3.128 3.640 . 0 0 "[ . 1 .]" 1
579 1 74 GLU HB2 1 74 GLU HG3 2.800 . 2.800 2.460 2.375 2.527 . 0 0 "[ . 1 .]" 1
580 1 74 GLU HB2 1 75 GLY H . . 3.400 3.407 3.396 3.417 0.017 14 0 "[ . 1 .]" 1
581 1 74 GLU HB2 1 97 VAL H 5.000 . 5.000 4.980 4.910 5.005 0.005 9 0 "[ . 1 .]" 1
582 1 74 GLU HB3 1 75 GLY H 2.800 . 2.800 2.109 1.986 2.238 . 0 0 "[ . 1 .]" 1
583 1 74 GLU HB3 1 97 VAL H 5.000 . 5.000 4.106 3.965 4.243 . 0 0 "[ . 1 .]" 1
584 1 74 GLU HG2 1 75 GLY H 5.000 . 5.000 3.823 3.578 4.045 . 0 0 "[ . 1 .]" 1
585 1 74 GLU HG2 1 96 ARG HA 3.400 2.400 3.400 2.482 2.379 2.742 0.021 12 0 "[ . 1 .]" 1
586 1 74 GLU HG2 1 96 ARG HD3 5.000 . 5.000 3.453 3.057 3.842 . 0 0 "[ . 1 .]" 1
587 1 74 GLU HG2 1 97 VAL H 3.400 . 3.400 2.149 1.996 2.405 . 0 0 "[ . 1 .]" 1
588 1 74 GLU HG2 1 97 VAL QG 5.000 . 5.000 2.108 1.967 2.296 . 0 0 "[ . 1 .]" 1
589 1 74 GLU HG3 1 75 GLY H 5.000 . 5.000 4.662 4.529 4.825 . 0 0 "[ . 1 .]" 1
590 1 74 GLU HG3 1 96 ARG HA 5.000 . 5.000 4.217 4.097 4.443 . 0 0 "[ . 1 .]" 1
591 1 74 GLU HG3 1 97 VAL H 5.000 . 5.000 3.547 3.279 3.787 . 0 0 "[ . 1 .]" 1
592 1 74 GLU HG3 1 97 VAL QG 5.000 . 5.000 1.986 1.809 2.194 . 0 0 "[ . 1 .]" 1
593 1 75 GLY H 1 76 ILE H 5.000 . 5.000 4.550 4.506 4.590 . 0 0 "[ . 1 .]" 1
594 1 75 GLY H 1 94 ARG HD3 5.000 . 5.000 4.203 3.764 4.702 . 0 0 "[ . 1 .]" 1
595 1 75 GLY H 1 95 VAL H 5.000 3.400 5.000 3.963 3.399 4.446 0.001 12 0 "[ . 1 .]" 1
596 1 75 GLY H 1 95 VAL QG 5.000 . 5.000 4.488 4.292 4.759 . 0 0 "[ . 1 .]" 1
597 1 75 GLY HA2 1 76 ILE H 3.400 . 3.400 2.799 2.653 2.955 . 0 0 "[ . 1 .]" 1
598 1 75 GLY HA2 1 76 ILE HA 5.000 . 5.000 4.441 4.387 4.493 . 0 0 "[ . 1 .]" 1
599 1 75 GLY HA2 1 76 ILE MD 5.000 . 5.000 3.442 2.805 4.673 . 0 0 "[ . 1 .]" 1
600 1 75 GLY HA2 1 76 ILE HG13 5.000 . 5.000 3.489 3.208 3.961 . 0 0 "[ . 1 .]" 1
601 1 76 ILE H 1 76 ILE HB 3.400 . 3.400 2.740 2.645 2.842 . 0 0 "[ . 1 .]" 1
602 1 76 ILE H 1 76 ILE MD 5.000 . 5.000 2.713 1.966 3.853 . 0 0 "[ . 1 .]" 1
603 1 76 ILE H 1 77 PHE H 5.000 . 5.000 4.405 4.273 4.539 . 0 0 "[ . 1 .]" 1
604 1 76 ILE HA 1 77 PHE H 2.800 . 2.800 2.184 2.142 2.261 . 0 0 "[ . 1 .]" 1
605 1 76 ILE HA 1 94 ARG HA 2.800 . 2.800 2.316 2.108 2.638 . 0 0 "[ . 1 .]" 1
606 1 76 ILE HB 1 77 PHE H 5.000 . 5.000 3.982 3.710 4.164 . 0 0 "[ . 1 .]" 1
607 1 76 ILE MD 1 94 ARG HA 5.000 . 5.000 4.471 4.025 4.720 . 0 0 "[ . 1 .]" 1
608 1 76 ILE MD 1 94 ARG HD3 5.000 . 5.000 4.815 4.147 5.003 0.003 5 0 "[ . 1 .]" 1
609 1 76 ILE HG13 1 77 PHE H 5.000 . 5.000 4.659 4.511 5.002 0.002 9 0 "[ . 1 .]" 1
610 1 76 ILE HG13 1 94 ARG HA 5.000 . 5.000 3.176 2.394 4.315 . 0 0 "[ . 1 .]" 1
611 1 76 ILE MG 1 77 PHE H 3.400 . 3.400 2.374 1.981 2.756 . 0 0 "[ . 1 .]" 1
612 1 76 ILE MG 1 93 TYR H 5.000 . 5.000 2.920 2.473 3.371 . 0 0 "[ . 1 .]" 1
613 1 76 ILE MG 1 94 ARG HB3 5.000 . 5.000 4.613 4.124 4.923 . 0 0 "[ . 1 .]" 1
614 1 76 ILE MG 1 95 VAL H 5.000 . 5.000 4.385 4.019 4.831 . 0 0 "[ . 1 .]" 1
615 1 77 PHE H 1 77 PHE HB2 3.400 . 3.400 2.495 2.359 2.664 . 0 0 "[ . 1 .]" 1
616 1 77 PHE H 1 93 TYR H . . 3.400 3.080 2.679 3.324 . 0 0 "[ . 1 .]" 1
617 1 77 PHE HA 1 78 ARG H . . 2.800 2.299 2.148 2.384 . 0 0 "[ . 1 .]" 1
618 1 77 PHE HA 1 78 ARG HB2 5.000 . 5.000 4.338 4.152 4.504 . 0 0 "[ . 1 .]" 1
619 1 77 PHE HA 1 78 ARG HB3 5.000 . 5.000 4.533 4.358 4.735 . 0 0 "[ . 1 .]" 1
620 1 77 PHE HB2 1 78 ARG H 5.000 . 5.000 3.887 3.610 4.388 . 0 0 "[ . 1 .]" 1
621 1 77 PHE HB2 1 93 TYR H 5.000 . 5.000 3.644 3.418 4.017 . 0 0 "[ . 1 .]" 1
622 1 78 ARG HA 1 79 CYS H . . 2.800 2.237 2.201 2.318 . 0 0 "[ . 1 .]" 1
623 1 78 ARG HA 1 92 ASN HA 3.400 . 3.400 2.672 2.286 3.065 . 0 0 "[ . 1 .]" 1
624 1 78 ARG HB2 1 79 CYS H 5.000 . 5.000 4.055 3.907 4.192 . 0 0 "[ . 1 .]" 1
625 1 78 ARG HB2 1 92 ASN HA 3.400 . 3.400 3.346 2.974 3.407 0.007 4 0 "[ . 1 .]" 1
626 1 78 ARG HB3 1 79 CYS H 5.000 3.400 5.000 3.904 3.645 4.038 . 0 0 "[ . 1 .]" 1
627 1 78 ARG HB3 1 92 ASN HA 5.000 . 5.000 4.827 4.527 5.005 0.005 6 0 "[ . 1 .]" 1
628 1 79 CYS H 1 91 SER HB2 5.000 . 5.000 3.200 2.112 3.956 . 0 0 "[ . 1 .]" 1
629 1 79 CYS H 1 91 SER HB3 5.000 . 5.000 4.071 3.173 5.008 0.008 9 0 "[ . 1 .]" 1
630 1 79 CYS HB3 1 80 GLN H 5.000 . 5.000 2.860 2.670 3.147 . 0 0 "[ . 1 .]" 1
631 1 79 CYS HB3 1 91 SER HB2 5.000 . 5.000 4.017 3.011 5.000 . 0 0 "[ . 1 .]" 1
632 1 80 GLN H 1 80 GLN HB3 3.400 . 3.400 3.183 2.936 3.371 . 0 0 "[ . 1 .]" 1
633 1 80 GLN H 1 80 GLN HG3 5.000 . 5.000 4.724 4.583 5.006 0.006 10 0 "[ . 1 .]" 1
634 1 80 GLN H 1 81 ALA H 5.000 . 5.000 4.134 3.936 4.317 . 0 0 "[ . 1 .]" 1
635 1 80 GLN H 1 89 THR H 5.000 . 5.000 5.010 4.997 5.027 0.027 5 0 "[ . 1 .]" 1
636 1 80 GLN HA 1 81 ALA H 3.400 . 3.400 2.179 2.138 2.268 . 0 0 "[ . 1 .]" 1
637 1 80 GLN HG2 1 81 ALA H 3.400 . 3.400 3.165 2.815 3.401 0.001 7 0 "[ . 1 .]" 1
638 1 81 ALA H 1 81 ALA MB 3.400 . 3.400 2.488 2.275 2.620 . 0 0 "[ . 1 .]" 1
639 1 81 ALA H 1 82 MET H 5.000 . 5.000 4.400 4.254 4.506 . 0 0 "[ . 1 .]" 1
640 1 81 ALA H 1 89 THR H 3.400 . 3.400 2.066 1.975 2.279 . 0 0 "[ . 1 .]" 1
641 1 81 ALA H 1 89 THR HB 5.000 . 5.000 4.085 3.012 4.612 . 0 0 "[ . 1 .]" 1
642 1 81 ALA H 1 89 THR MG 5.000 . 5.000 2.362 1.919 2.741 . 0 0 "[ . 1 .]" 1
643 1 81 ALA HA 1 82 MET H 2.800 . 2.800 2.310 2.142 2.375 . 0 0 "[ . 1 .]" 1
644 1 81 ALA HA 1 82 MET HB3 5.000 . 5.000 4.666 4.489 4.939 . 0 0 "[ . 1 .]" 1
645 1 81 ALA MB 1 82 MET H 3.400 . 3.400 2.722 2.466 3.305 . 0 0 "[ . 1 .]" 1
646 1 81 ALA MB 1 89 THR HA 5.000 . 5.000 4.894 4.680 5.010 0.010 5 0 "[ . 1 .]" 1
647 1 81 ALA MB 1 89 THR HB 5.000 . 5.000 3.349 2.985 3.733 . 0 0 "[ . 1 .]" 1
648 1 82 MET H 1 82 MET HB3 2.800 . 2.800 2.727 2.562 2.803 0.003 6 0 "[ . 1 .]" 1
649 1 82 MET H 1 82 MET HG2 5.000 . 5.000 4.713 4.551 4.903 . 0 0 "[ . 1 .]" 1
650 1 82 MET H 1 82 MET HG3 5.000 . 5.000 4.496 4.426 4.617 . 0 0 "[ . 1 .]" 1
651 1 82 MET H 1 83 ASN H 5.000 . 5.000 4.215 4.080 4.476 . 0 0 "[ . 1 .]" 1
652 1 82 MET HA 1 82 MET HG3 3.400 . 3.400 2.520 2.322 2.711 . 0 0 "[ . 1 .]" 1
653 1 82 MET HA 1 83 ASN H 2.800 . 2.800 2.142 2.133 2.153 . 0 0 "[ . 1 .]" 1
654 1 82 MET HG2 1 83 ASN H 5.000 . 5.000 4.443 3.941 4.763 . 0 0 "[ . 1 .]" 1
655 1 82 MET HG3 1 83 ASN H 5.000 . 5.000 2.994 2.727 3.158 . 0 0 "[ . 1 .]" 1
656 1 82 MET HG3 1 86 GLY HA2 5.000 . 5.000 2.720 2.144 3.222 . 0 0 "[ . 1 .]" 1
657 1 82 MET HG3 1 86 GLY HA3 5.000 . 5.000 4.387 3.807 4.932 . 0 0 "[ . 1 .]" 1
658 1 83 ASN H 1 83 ASN HB2 3.400 . 3.400 2.341 2.193 2.521 . 0 0 "[ . 1 .]" 1
659 1 83 ASN H 1 83 ASN HB3 3.400 . 3.400 3.080 2.849 3.402 0.002 9 0 "[ . 1 .]" 1
660 1 83 ASN H 1 86 GLY H 5.000 . 5.000 3.212 2.955 3.645 . 0 0 "[ . 1 .]" 1
661 1 83 ASN H 1 87 LYS H 3.400 . 3.400 2.167 1.980 2.457 . 0 0 "[ . 1 .]" 1
662 1 83 ASN H 1 87 LYS HB3 5.000 . 5.000 3.334 3.133 3.516 . 0 0 "[ . 1 .]" 1
663 1 83 ASN H 1 87 LYS HG2 5.000 . 5.000 4.987 4.828 5.010 0.010 2 0 "[ . 1 .]" 1
664 1 83 ASN HB2 1 87 LYS H 5.000 . 5.000 2.555 2.023 3.052 . 0 0 "[ . 1 .]" 1
665 1 83 ASN HB2 1 87 LYS HB3 5.000 . 5.000 2.070 1.936 2.529 . 0 0 "[ . 1 .]" 1
666 1 83 ASN HB3 1 84 ARG HA 5.000 . 5.000 4.601 4.383 4.825 . 0 0 "[ . 1 .]" 1
667 1 83 ASN HB3 1 85 ASN H 5.000 . 5.000 2.375 2.272 2.509 . 0 0 "[ . 1 .]" 1
668 1 83 ASN HB3 1 87 LYS H 5.000 . 5.000 2.742 2.211 3.374 . 0 0 "[ . 1 .]" 1
669 1 83 ASN HB3 1 87 LYS HD3 5.000 . 5.000 4.686 3.990 5.002 0.002 2 0 "[ . 1 .]" 1
670 1 84 ARG HA 1 84 ARG HB3 2.800 . 2.800 2.661 2.505 2.775 . 0 0 "[ . 1 .]" 1
671 1 84 ARG HA 1 84 ARG HG3 2.800 . 2.800 2.664 2.346 2.805 0.005 12 0 "[ . 1 .]" 1
672 1 84 ARG HA 1 85 ASN H 5.000 . 5.000 3.493 3.470 3.516 . 0 0 "[ . 1 .]" 1
673 1 84 ARG HA 1 86 GLY H 5.000 . 5.000 4.162 3.727 4.414 . 0 0 "[ . 1 .]" 1
674 1 84 ARG HB3 1 84 ARG HD2 2.800 . 2.800 2.545 2.231 2.800 0.000 8 0 "[ . 1 .]" 1
675 1 84 ARG HB3 1 85 ASN H 5.000 . 5.000 3.533 3.327 3.804 . 0 0 "[ . 1 .]" 1
676 1 85 ASN HB2 1 86 GLY H 5.000 . 5.000 3.535 3.070 4.362 . 0 0 "[ . 1 .]" 1
677 1 85 ASN HB2 1 86 GLY HA3 5.000 . 5.000 4.876 4.686 5.020 0.020 11 0 "[ . 1 .]" 1
678 1 85 ASN HB3 1 86 GLY H 5.000 . 5.000 4.141 3.809 4.627 . 0 0 "[ . 1 .]" 1
679 1 86 GLY H 1 86 GLY HA2 2.800 . 2.800 2.391 2.293 2.442 . 0 0 "[ . 1 .]" 1
680 1 86 GLY H 1 87 LYS H 2.800 . 2.800 2.293 1.994 2.802 0.002 11 0 "[ . 1 .]" 1
681 1 86 GLY H 1 87 LYS HB3 5.000 . 5.000 4.383 4.074 5.003 0.003 3 0 "[ . 1 .]" 1
682 1 86 GLY HA2 1 87 LYS H 3.400 . 3.400 2.791 2.553 2.940 . 0 0 "[ . 1 .]" 1
683 1 86 GLY HA3 1 87 LYS H 5.000 3.400 5.000 3.541 3.502 3.568 . 0 0 "[ . 1 .]" 1
684 1 87 LYS H 1 87 LYS HB3 2.800 . 2.800 2.422 2.341 2.546 . 0 0 "[ . 1 .]" 1
685 1 87 LYS H 1 87 LYS HG2 5.000 . 5.000 4.356 4.305 4.438 . 0 0 "[ . 1 .]" 1
686 1 87 LYS H 1 87 LYS HG3 5.000 . 5.000 4.563 4.496 4.706 . 0 0 "[ . 1 .]" 1
687 1 87 LYS H 1 88 GLU H 5.000 . 5.000 4.538 4.434 4.604 . 0 0 "[ . 1 .]" 1
688 1 87 LYS HA 1 87 LYS HG2 3.400 . 3.400 3.289 3.103 3.405 0.005 10 0 "[ . 1 .]" 1
689 1 87 LYS HA 1 87 LYS HG3 3.400 . 3.400 2.594 2.458 2.699 . 0 0 "[ . 1 .]" 1
690 1 87 LYS HA 1 88 GLU H 2.800 . 2.800 2.214 2.142 2.354 . 0 0 "[ . 1 .]" 1
691 1 87 LYS HA 1 88 GLU HG2 5.000 . 5.000 3.602 3.404 3.894 . 0 0 "[ . 1 .]" 1
692 1 87 LYS HA 1 88 GLU HG3 5.000 . 5.000 4.900 4.822 4.947 . 0 0 "[ . 1 .]" 1
693 1 87 LYS HB3 1 88 GLU H 5.000 3.400 5.000 4.080 3.755 4.280 . 0 0 "[ . 1 .]" 1
694 1 87 LYS HE2 1 87 LYS HG2 2.800 . 2.800 2.547 2.304 2.806 0.006 1 0 "[ . 1 .]" 1
695 1 87 LYS HE3 1 87 LYS HG3 2.800 . 2.800 2.579 2.257 2.804 0.004 7 0 "[ . 1 .]" 1
696 1 87 LYS HG2 1 88 GLU H 5.000 . 5.000 2.970 2.219 3.469 . 0 0 "[ . 1 .]" 1
697 1 87 LYS HG2 1 89 THR HB 5.000 . 5.000 4.972 4.784 5.012 0.012 7 0 "[ . 1 .]" 1
698 1 87 LYS HG3 1 88 GLU H 5.000 . 5.000 2.677 2.258 3.007 . 0 0 "[ . 1 .]" 1
699 1 88 GLU H 1 88 GLU HB3 3.400 . 3.400 3.250 3.103 3.353 . 0 0 "[ . 1 .]" 1
700 1 88 GLU H 1 88 GLU HG2 3.400 . 3.400 2.145 1.988 2.372 . 0 0 "[ . 1 .]" 1
701 1 88 GLU H 1 88 GLU HG3 5.000 . 5.000 2.902 2.805 3.014 . 0 0 "[ . 1 .]" 1
702 1 88 GLU H 1 89 THR H 5.000 . 5.000 4.459 4.438 4.502 . 0 0 "[ . 1 .]" 1
703 1 88 GLU H 1 89 THR HA 5.000 . 5.000 4.877 4.813 5.004 0.004 12 0 "[ . 1 .]" 1
704 1 88 GLU HA 1 88 GLU HB3 2.800 . 2.800 2.382 2.349 2.445 . 0 0 "[ . 1 .]" 1
705 1 88 GLU HA 1 89 THR H 2.800 . 2.800 2.272 2.265 2.285 . 0 0 "[ . 1 .]" 1
706 1 88 GLU HB2 1 89 THR H 2.800 . 2.800 2.794 2.784 2.806 0.006 5 0 "[ . 1 .]" 1
707 1 88 GLU HG2 1 89 THR H 5.000 . 5.000 4.984 4.938 5.004 0.004 11 0 "[ . 1 .]" 1
708 1 88 GLU HG3 1 89 THR H 5.000 . 5.000 4.233 4.011 4.366 . 0 0 "[ . 1 .]" 1
709 1 89 THR H 1 89 THR HB 3.400 . 3.400 2.918 2.786 3.043 . 0 0 "[ . 1 .]" 1
710 1 89 THR H 1 89 THR MG . . 3.400 2.040 1.932 2.270 . 0 0 "[ . 1 .]" 1
711 1 89 THR HA 1 90 LYS H 2.800 . 2.800 2.155 2.130 2.200 . 0 0 "[ . 1 .]" 1
712 1 89 THR HA 1 90 LYS HB2 5.000 . 5.000 4.195 4.143 4.371 . 0 0 "[ . 1 .]" 1
713 1 89 THR HB 1 90 LYS H 5.000 . 5.000 4.200 4.089 4.353 . 0 0 "[ . 1 .]" 1
714 1 89 THR MG 1 90 LYS H 5.000 . 5.000 4.070 3.829 4.224 . 0 0 "[ . 1 .]" 1
715 1 90 LYS H 1 90 LYS HB3 3.400 . 3.400 3.068 2.760 3.405 0.005 3 0 "[ . 1 .]" 1
716 1 90 LYS HB2 1 91 SER H 5.000 . 5.000 4.506 4.369 4.620 . 0 0 "[ . 1 .]" 1
717 1 90 LYS HB3 1 91 SER H 5.000 . 5.000 3.896 3.566 4.193 . 0 0 "[ . 1 .]" 1
718 1 91 SER H 1 92 ASN HB2 5.000 . 5.000 4.576 4.184 5.000 0.000 10 0 "[ . 1 .]" 1
719 1 91 SER HB2 1 93 TYR HE1 5.000 . 5.000 3.750 2.598 4.755 . 0 0 "[ . 1 .]" 1
720 1 91 SER HB3 1 93 TYR HD1 5.000 . 5.000 3.944 2.983 4.596 . 0 0 "[ . 1 .]" 1
721 1 91 SER HB3 1 93 TYR HE1 3.400 . 3.400 2.443 1.982 3.067 . 0 0 "[ . 1 .]" 1
722 1 92 ASN HA 1 93 TYR H 2.800 . 2.800 2.145 2.137 2.163 . 0 0 "[ . 1 .]" 1
723 1 92 ASN HA 1 93 TYR HD1 5.000 . 5.000 3.690 2.958 4.369 . 0 0 "[ . 1 .]" 1
724 1 92 ASN HB2 1 93 TYR H 5.000 . 5.000 4.481 4.358 4.573 . 0 0 "[ . 1 .]" 1
725 1 92 ASN HB3 1 93 TYR H 5.000 . 5.000 3.866 3.478 4.181 . 0 0 "[ . 1 .]" 1
726 1 92 ASN HB3 1 93 TYR HA 5.000 . 5.000 4.437 4.242 4.649 . 0 0 "[ . 1 .]" 1
727 1 93 TYR H 1 93 TYR HB2 3.400 . 3.400 2.717 2.455 2.913 . 0 0 "[ . 1 .]" 1
728 1 93 TYR H 1 93 TYR HE1 5.000 . 5.000 5.004 4.998 5.010 0.010 7 0 "[ . 1 .]" 1
729 1 93 TYR H 1 94 ARG H 5.000 . 5.000 4.371 4.266 4.466 . 0 0 "[ . 1 .]" 1
730 1 93 TYR HA 1 93 TYR HD1 3.400 . 3.400 2.764 2.253 3.401 0.001 13 0 "[ . 1 .]" 1
731 1 93 TYR HA 1 94 ARG H 2.800 . 2.800 2.164 2.136 2.191 . 0 0 "[ . 1 .]" 1
732 1 93 TYR HB2 1 94 ARG H 5.000 . 5.000 4.081 3.802 4.352 . 0 0 "[ . 1 .]" 1
733 1 93 TYR HB2 1 95 VAL QG 5.000 . 5.000 3.476 3.012 3.816 . 0 0 "[ . 1 .]" 1
734 1 93 TYR HB3 1 94 ARG H 5.000 . 5.000 3.250 3.059 3.476 . 0 0 "[ . 1 .]" 1
735 1 93 TYR HB3 1 95 VAL QG 5.000 . 5.000 3.475 3.086 3.859 . 0 0 "[ . 1 .]" 1
736 1 94 ARG H 1 94 ARG HB2 2.800 . 2.800 2.431 2.209 2.634 . 0 0 "[ . 1 .]" 1
737 1 94 ARG H 1 94 ARG HB3 3.400 . 3.400 2.909 2.696 3.097 . 0 0 "[ . 1 .]" 1
738 1 94 ARG H 1 94 ARG HD3 5.000 . 5.000 4.895 4.585 5.008 0.008 3 0 "[ . 1 .]" 1
739 1 94 ARG H 1 95 VAL H 5.000 . 5.000 4.412 4.246 4.526 . 0 0 "[ . 1 .]" 1
740 1 94 ARG H 1 95 VAL QG 5.000 . 5.000 4.104 3.987 4.178 . 0 0 "[ . 1 .]" 1
741 1 94 ARG HA 1 94 ARG HB2 2.800 . 2.800 2.683 2.568 2.784 . 0 0 "[ . 1 .]" 1
742 1 94 ARG HA 1 94 ARG HD3 3.400 . 3.400 2.950 2.207 3.406 0.006 7 0 "[ . 1 .]" 1
743 1 94 ARG HA 1 95 VAL H 2.800 . 2.800 2.154 2.134 2.178 . 0 0 "[ . 1 .]" 1
744 1 94 ARG HA 1 95 VAL HB 5.000 . 5.000 4.758 4.678 4.863 . 0 0 "[ . 1 .]" 1
745 1 94 ARG HA 1 95 VAL QG 5.000 . 5.000 3.455 3.320 3.592 . 0 0 "[ . 1 .]" 1
746 1 94 ARG HB2 1 95 VAL H 5.000 . 5.000 4.472 4.366 4.592 . 0 0 "[ . 1 .]" 1
747 1 94 ARG HB3 1 94 ARG HD3 3.400 . 3.400 2.807 2.477 3.146 . 0 0 "[ . 1 .]" 1
748 1 94 ARG HB3 1 95 VAL H 5.000 . 5.000 3.958 3.704 4.197 . 0 0 "[ . 1 .]" 1
749 1 94 ARG HD3 1 95 VAL H . . 3.400 2.657 2.010 3.385 . 0 0 "[ . 1 .]" 1
750 1 94 ARG HD3 1 96 ARG H 5.000 . 5.000 4.379 3.657 4.970 . 0 0 "[ . 1 .]" 1
751 1 95 VAL H 1 95 VAL HB 2.800 . 2.800 2.744 2.655 2.806 0.006 13 0 "[ . 1 .]" 1
752 1 95 VAL H 1 95 VAL QG 3.400 . 3.400 2.493 2.255 2.728 . 0 0 "[ . 1 .]" 1
753 1 95 VAL H 1 96 ARG H 5.000 . 5.000 4.367 4.203 4.483 . 0 0 "[ . 1 .]" 1
754 1 95 VAL HA 1 95 VAL QG 2.800 . 2.800 2.129 2.047 2.164 . 0 0 "[ . 1 .]" 1
755 1 95 VAL HB 1 96 ARG H 5.000 . 5.000 4.065 3.928 4.214 . 0 0 "[ . 1 .]" 1
756 1 95 VAL QG 1 96 ARG H 2.800 . 2.800 2.410 2.228 2.726 . 0 0 "[ . 1 .]" 1
757 1 96 ARG H 1 96 ARG HB3 2.800 . 2.800 2.754 2.680 2.806 0.006 4 0 "[ . 1 .]" 1
758 1 96 ARG H 1 96 ARG HD3 5.000 . 5.000 4.645 4.439 4.843 . 0 0 "[ . 1 .]" 1
759 1 96 ARG H 1 96 ARG HG3 5.000 . 5.000 4.486 4.400 4.574 . 0 0 "[ . 1 .]" 1
760 1 96 ARG H 1 97 VAL H 5.000 . 5.000 4.395 4.343 4.454 . 0 0 "[ . 1 .]" 1
761 1 96 ARG HA 1 96 ARG HG3 3.400 . 3.400 2.921 2.714 3.103 . 0 0 "[ . 1 .]" 1
762 1 96 ARG HD2 1 97 VAL H 3.400 . 3.400 2.920 2.427 3.399 . 0 0 "[ . 1 .]" 1
763 1 96 ARG HD3 1 96 ARG HG3 2.800 . 2.800 2.745 2.618 2.811 0.011 13 0 "[ . 1 .]" 1
764 1 96 ARG HD3 1 97 VAL H 5.000 . 5.000 3.139 2.694 3.569 . 0 0 "[ . 1 .]" 1
765 1 96 ARG HG3 1 97 VAL H 5.000 . 5.000 2.405 2.167 2.688 . 0 0 "[ . 1 .]" 1
766 1 97 VAL H 1 97 VAL QG . . 3.400 2.004 1.945 2.072 . 0 0 "[ . 1 .]" 1
767 1 97 VAL H 1 98 TYR H 5.000 . 5.000 4.573 4.568 4.579 . 0 0 "[ . 1 .]" 1
768 1 97 VAL HA 1 97 VAL HB 2.800 . 2.800 2.407 2.363 2.429 . 0 0 "[ . 1 .]" 1
769 1 97 VAL HA 1 98 TYR H 2.800 . 2.800 2.337 2.291 2.380 . 0 0 "[ . 1 .]" 1
770 1 97 VAL HA 1 98 TYR HB2 5.000 . 5.000 4.485 4.392 4.552 . 0 0 "[ . 1 .]" 1
771 1 97 VAL HB 1 98 TYR H 2.800 . 2.800 2.551 2.453 2.665 . 0 0 "[ . 1 .]" 1
772 1 97 VAL HB 1 98 TYR HD1 5.000 . 5.000 4.913 4.711 5.017 0.017 15 0 "[ . 1 .]" 1
773 1 97 VAL QG 1 98 TYR H . . 3.400 3.204 3.155 3.279 . 0 0 "[ . 1 .]" 1
774 1 98 TYR H 1 98 TYR HB2 2.800 . 2.800 2.166 2.131 2.272 . 0 0 "[ . 1 .]" 1
775 1 98 TYR H 1 98 TYR HD1 3.400 . 3.400 2.484 2.138 2.593 . 0 0 "[ . 1 .]" 1
776 1 98 TYR H 1 98 TYR HE1 5.000 . 5.000 4.896 4.523 5.018 0.018 9 0 "[ . 1 .]" 1
777 1 98 TYR HB2 1 98 TYR HD1 3.400 . 3.400 2.815 2.549 3.004 . 0 0 "[ . 1 .]" 1
778 1 98 TYR HB2 1 99 GLN H 2.800 . 2.800 2.441 2.350 2.761 . 0 0 "[ . 1 .]" 1
779 1 99 GLN H 1 99 GLN HG3 5.000 . 5.000 3.341 2.265 4.260 . 0 0 "[ . 1 .]" 1
780 1 99 GLN H 1 100 ILE H 5.000 . 5.000 4.549 4.432 4.616 . 0 0 "[ . 1 .]" 1
781 1 99 GLN HA 1 99 GLN HB3 2.800 . 2.800 2.583 2.371 2.756 . 0 0 "[ . 1 .]" 1
782 1 99 GLN HA 1 100 ILE H 2.800 . 2.800 2.207 2.145 2.248 . 0 0 "[ . 1 .]" 1
783 1 99 GLN HB2 1 100 ILE H 5.000 . 5.000 4.151 3.828 4.398 . 0 0 "[ . 1 .]" 1
784 1 99 GLN HB3 1 100 ILE H 3.400 . 3.400 3.076 2.855 3.402 0.002 1 0 "[ . 1 .]" 1
785 1 99 GLN HB3 1 100 ILE HA 5.000 . 5.000 4.495 4.321 4.844 . 0 0 "[ . 1 .]" 1
786 1 100 ILE H 1 100 ILE MD 5.000 . 5.000 3.647 3.600 3.678 . 0 0 "[ . 1 .]" 1
787 1 100 ILE H 1 100 ILE HG12 3.400 . 3.400 2.087 1.994 2.214 . 0 0 "[ . 1 .]" 1
788 1 100 ILE H 1 100 ILE HG13 2.800 . 2.800 2.330 2.251 2.386 . 0 0 "[ . 1 .]" 1
789 1 100 ILE HA 1 100 ILE HB 2.800 . 2.800 2.698 2.687 2.718 . 0 0 "[ . 1 .]" 1
790 1 100 ILE HA 1 100 ILE HG12 3.400 . 3.400 3.446 3.436 3.456 0.056 6 0 "[ . 1 .]" 1
791 1 100 ILE HA 1 100 ILE MG . . 2.800 2.073 1.966 2.181 . 0 0 "[ . 1 .]" 1
792 1 100 ILE HB 1 100 ILE HG13 2.800 . 2.800 2.438 2.423 2.456 . 0 0 "[ . 1 .]" 1
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