NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617077 |
5x34   |
36050 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x34
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 841
_Distance_constraint_stats_list.Viol_count 546
_Distance_constraint_stats_list.Viol_total 367.779
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0337
_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 1 THR 2.423 0.150 9 0 "[ . 1 . 2]"
1 2 GLN 1.360 0.097 18 0 "[ . 1 . 2]"
1 3 SER 0.103 0.048 2 0 "[ . 1 . 2]"
1 4 HIS 0.076 0.048 2 0 "[ . 1 . 2]"
1 5 TYR 0.632 0.057 10 0 "[ . 1 . 2]"
1 6 GLY 0.149 0.020 9 0 "[ . 1 . 2]"
1 7 GLN 2.475 0.096 1 0 "[ . 1 . 2]"
1 8 CYS 2.396 0.139 19 0 "[ . 1 . 2]"
1 9 GLY 0.702 0.055 19 0 "[ . 1 . 2]"
1 10 GLY 7.389 0.171 18 0 "[ . 1 . 2]"
1 11 ILE 0.673 0.044 12 0 "[ . 1 . 2]"
1 12 GLY 0.561 0.096 1 0 "[ . 1 . 2]"
1 13 TYR 0.798 0.044 12 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.283 0.040 6 0 "[ . 1 . 2]"
1 16 PRO 2.832 0.150 9 0 "[ . 1 . 2]"
1 17 THR 0.819 0.047 12 0 "[ . 1 . 2]"
1 18 VAL 0.424 0.064 10 0 "[ . 1 . 2]"
1 19 CYS 0.005 0.005 20 0 "[ . 1 . 2]"
1 20 ALA 0.306 0.037 19 0 "[ . 1 . 2]"
1 21 SER 0.075 0.028 3 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.371 0.046 12 0 "[ . 1 . 2]"
1 24 THR 0.804 0.051 11 0 "[ . 1 . 2]"
1 25 CYS 0.792 0.051 11 0 "[ . 1 . 2]"
1 26 GLN 0.150 0.017 11 0 "[ . 1 . 2]"
1 27 VAL 2.585 0.171 18 0 "[ . 1 . 2]"
1 28 LEU 0.494 0.031 18 0 "[ . 1 . 2]"
1 29 ASN 0.929 0.052 10 0 "[ . 1 . 2]"
1 30 PRO 1.573 0.068 19 0 "[ . 1 . 2]"
1 31 TYR 1.087 0.068 19 0 "[ . 1 . 2]"
1 32 TYR 1.118 0.052 10 0 "[ . 1 . 2]"
1 33 SER 0.372 0.042 17 0 "[ . 1 . 2]"
1 34 GLN 0.513 0.042 18 0 "[ . 1 . 2]"
1 35 CYS 0.825 0.053 2 0 "[ . 1 . 2]"
1 36 LEU 2.031 0.057 10 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 1 THR HA 1 1 THR HB 2.650 . 3.500 2.870 2.493 3.041 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 1 THR MG 2.650 . 2.800 2.150 2.077 2.220 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR HA 1 2 GLN H 3.150 . 4.500 2.442 2.249 2.624 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR HA 1 16 PRO HB2 3.650 . 4.500 3.649 3.211 4.215 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR HA 1 17 THR H 3.650 . 5.500 5.168 4.779 5.474 . 0 0 "[ . 1 . 2]" 1
6 1 1 THR HA 1 18 VAL H 3.650 . 5.500 3.997 3.479 4.314 . 0 0 "[ . 1 . 2]" 1
7 1 1 THR HA 1 18 VAL HB 3.150 . 3.500 3.480 3.232 3.564 0.064 10 0 "[ . 1 . 2]" 1
8 1 1 THR HA 1 18 VAL QG 3.150 . 4.500 4.057 3.894 4.135 . 0 0 "[ . 1 . 2]" 1
9 1 1 THR HB 1 2 GLN H 3.150 . 4.500 3.206 2.040 3.861 . 0 0 "[ . 1 . 2]" 1
10 1 1 THR HB 1 2 GLN HB3 3.650 . 5.500 4.690 4.218 4.967 . 0 0 "[ . 1 . 2]" 1
11 1 1 THR HB 1 20 ALA MB 3.650 . 4.500 3.626 3.339 3.886 . 0 0 "[ . 1 . 2]" 1
12 1 1 THR HB 1 16 PRO HG3 4.150 . 6.500 6.515 6.337 6.563 0.063 15 0 "[ . 1 . 2]" 1
13 1 1 THR MG 1 2 GLN H 3.650 . 5.500 2.615 1.901 3.567 . 0 0 "[ . 1 . 2]" 1
14 1 1 THR MG 1 21 SER H 3.650 . 5.500 3.923 3.714 4.151 . 0 0 "[ . 1 . 2]" 1
15 1 1 THR MG 1 18 VAL MG1 2.300 . 2.800 2.180 2.045 2.275 . 0 0 "[ . 1 . 2]" 1
16 1 1 THR MG 1 18 VAL MG1 2.650 . 3.500 2.399 2.163 2.612 . 0 0 "[ . 1 . 2]" 1
17 1 1 THR MG 1 16 PRO HA 3.150 . 4.500 4.576 4.507 4.650 0.150 9 0 "[ . 1 . 2]" 1
18 1 1 THR MG 1 18 VAL HB 3.150 . 4.500 2.197 1.912 2.434 . 0 0 "[ . 1 . 2]" 1
19 1 1 THR MG 1 19 CYS HA 3.150 . 4.500 3.476 2.866 4.505 0.005 20 0 "[ . 1 . 2]" 1
20 1 1 THR MG 1 20 ALA H 3.650 . 5.500 3.730 2.968 4.985 . 0 0 "[ . 1 . 2]" 1
21 1 1 THR MG 1 20 ALA HA 3.150 . 4.500 3.003 2.478 3.953 . 0 0 "[ . 1 . 2]" 1
22 1 1 THR MG 1 21 SER H 3.650 . 5.500 4.491 4.027 5.169 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLN H 1 2 GLN HB2 3.650 . 5.500 2.610 2.462 2.777 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLN H 1 2 GLN HB3 3.650 . 5.500 2.570 2.463 2.682 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLN H 1 2 GLN HB3 3.150 . 4.500 2.483 2.348 2.605 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLN H 1 2 GLN HG2 3.650 . 5.500 4.466 4.345 4.596 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLN H 1 19 CYS HA 3.650 . 5.500 2.826 2.365 3.262 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLN HA 1 2 GLN HB2 2.650 . 3.500 2.397 2.370 2.435 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLN HA 1 2 GLN HE21 2.650 . 3.500 3.233 2.707 3.597 0.097 18 0 "[ . 1 . 2]" 1
30 1 2 GLN HA 1 2 GLN HG2 3.650 . 5.500 3.628 3.568 3.691 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN HA 1 2 GLN HG3 3.650 . 5.500 3.003 2.796 3.212 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLN HA 1 3 SER H 2.650 . 3.500 2.134 2.075 2.213 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLN HA 1 8 CYS HB3 3.650 . 5.500 4.047 3.798 4.265 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLN HA 1 16 PRO HB2 2.300 . 2.800 2.376 2.340 2.444 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLN HA 1 35 CYS H 4.150 . 6.500 5.962 5.864 6.063 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLN HB2 1 2 GLN HG2 2.650 . 2.800 2.261 2.228 2.297 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLN HB2 1 2 GLN HG3 2.650 . 3.500 3.008 2.998 3.017 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLN HB2 1 3 SER H 3.150 . 4.500 4.211 4.063 4.342 . 0 0 "[ . 1 . 2]" 1
39 1 2 GLN HB2 1 6 GLY HA3 3.150 . 4.500 4.097 3.889 4.232 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLN HB2 1 6 GLY HA3 3.650 . 5.500 4.143 4.082 4.204 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLN HB2 1 8 CYS HA 3.650 . 4.500 2.761 2.516 3.001 . 0 0 "[ . 1 . 2]" 1
42 1 2 GLN HB2 1 8 CYS HB3 3.650 . 4.500 4.028 3.694 4.232 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLN HB2 1 13 TYR QE 3.150 . 4.500 3.625 3.331 3.887 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLN HB2 1 19 CYS HA 3.150 . 4.500 3.943 3.755 4.125 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLN HB2 1 20 ALA H 3.650 . 5.500 5.484 5.255 5.537 0.037 19 0 "[ . 1 . 2]" 1
46 1 2 GLN HB3 1 2 GLN HG2 2.650 . 3.500 2.431 2.384 2.473 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLN HB3 1 3 SER H 3.650 . 5.500 4.014 3.741 4.214 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLN HB3 1 8 CYS HA 3.150 . 4.500 2.678 2.487 2.912 . 0 0 "[ . 1 . 2]" 1
49 1 2 GLN HB3 1 8 CYS HB3 3.650 . 4.500 3.388 3.010 3.630 . 0 0 "[ . 1 . 2]" 1
50 1 2 GLN HB3 1 19 CYS HB3 3.650 . 5.500 3.583 3.475 3.657 . 0 0 "[ . 1 . 2]" 1
51 1 2 GLN HB3 1 19 CYS HA 3.150 . 4.500 2.515 2.330 2.758 . 0 0 "[ . 1 . 2]" 1
52 1 2 GLN HE21 1 2 GLN HG2 2.650 . 3.500 2.956 2.742 3.177 . 0 0 "[ . 1 . 2]" 1
53 1 2 GLN HE21 1 2 GLN HG2 2.300 . 2.800 2.314 2.249 2.377 . 0 0 "[ . 1 . 2]" 1
54 1 2 GLN HE21 1 2 GLN HG3 2.650 . 3.500 2.180 2.135 2.236 . 0 0 "[ . 1 . 2]" 1
55 1 2 GLN HE21 1 6 GLY HA2 2.300 . 2.800 2.398 2.340 2.456 . 0 0 "[ . 1 . 2]" 1
56 1 2 GLN HE21 1 6 GLY HA3 2.650 . 3.500 1.983 1.784 2.320 0.016 13 0 "[ . 1 . 2]" 1
57 1 2 GLN HE21 1 16 PRO HD2 3.650 . 5.500 3.515 3.359 3.604 . 0 0 "[ . 1 . 2]" 1
58 1 2 GLN HE22 1 2 GLN HG2 2.650 . 3.500 2.848 2.783 3.209 . 0 0 "[ . 1 . 2]" 1
59 1 2 GLN HE22 1 6 GLY HA3 3.650 . 5.500 3.093 2.589 3.583 . 0 0 "[ . 1 . 2]" 1
60 1 2 GLN HE22 1 7 GLN HB3 3.650 . 5.500 5.418 4.823 5.569 0.069 19 0 "[ . 1 . 2]" 1
61 1 2 GLN HE22 1 8 CYS H 3.650 . 5.500 3.994 3.837 4.141 . 0 0 "[ . 1 . 2]" 1
62 1 2 GLN HE22 1 16 PRO HB2 3.650 . 5.500 5.316 4.995 5.518 0.018 2 0 "[ . 1 . 2]" 1
63 1 2 GLN HE22 1 16 PRO HB2 3.650 . 5.500 3.983 3.158 4.672 . 0 0 "[ . 1 . 2]" 1
64 1 2 GLN HE22 1 16 PRO HG2 3.150 . 4.500 4.201 3.881 4.315 . 0 0 "[ . 1 . 2]" 1
65 1 2 GLN HE22 1 16 PRO HG3 3.650 . 5.500 4.375 3.945 4.444 . 0 0 "[ . 1 . 2]" 1
66 1 2 GLN HE22 1 16 PRO HG3 3.650 . 5.500 4.084 3.777 4.203 . 0 0 "[ . 1 . 2]" 1
67 1 2 GLN HG2 1 3 SER H 3.150 . 4.500 3.927 3.569 4.253 . 0 0 "[ . 1 . 2]" 1
68 1 2 GLN HG2 1 4 HIS HA 3.650 . 5.500 4.176 4.133 4.217 . 0 0 "[ . 1 . 2]" 1
69 1 2 GLN HG2 1 6 GLY H 3.650 . 5.500 3.662 3.402 4.031 . 0 0 "[ . 1 . 2]" 1
70 1 2 GLN HG2 1 6 GLY HA3 3.150 . 4.500 3.323 2.952 3.744 . 0 0 "[ . 1 . 2]" 1
71 1 2 GLN HG2 1 35 CYS HB2 3.650 . 5.500 3.963 3.805 4.122 . 0 0 "[ . 1 . 2]" 1
72 1 2 GLN HG2 1 8 CYS HA 3.650 . 5.500 2.504 2.046 2.988 . 0 0 "[ . 1 . 2]" 1
73 1 2 GLN HG2 1 8 CYS HB2 3.650 . 5.500 4.822 4.405 5.364 . 0 0 "[ . 1 . 2]" 1
74 1 2 GLN HG2 1 8 CYS HB3 3.150 . 4.500 3.767 3.327 4.303 . 0 0 "[ . 1 . 2]" 1
75 1 2 GLN HG2 1 35 CYS HB2 3.650 . 5.500 4.025 3.834 4.190 . 0 0 "[ . 1 . 2]" 1
76 1 2 GLN HG2 1 35 CYS HB2 3.650 . 5.500 4.239 4.015 4.460 . 0 0 "[ . 1 . 2]" 1
77 1 2 GLN HG2 1 35 CYS H 3.650 . 5.500 4.521 4.236 4.793 . 0 0 "[ . 1 . 2]" 1
78 1 2 GLN HG3 1 3 SER H 2.650 . 3.500 2.863 2.245 3.459 . 0 0 "[ . 1 . 2]" 1
79 1 2 GLN HG3 1 6 GLY HA2 3.650 . 4.500 4.231 3.963 4.470 . 0 0 "[ . 1 . 2]" 1
80 1 2 GLN HG3 1 6 GLY HA3 2.650 . 3.500 2.558 2.262 2.830 . 0 0 "[ . 1 . 2]" 1
81 1 2 GLN HG3 1 8 CYS HA 3.650 . 5.500 4.037 3.561 4.536 . 0 0 "[ . 1 . 2]" 1
82 1 2 GLN HG3 1 19 CYS HA 3.650 . 5.500 4.442 4.124 4.862 . 0 0 "[ . 1 . 2]" 1
83 1 3 SER H 1 3 SER HA 2.650 . 3.500 2.816 2.772 2.858 . 0 0 "[ . 1 . 2]" 1
84 1 3 SER H 1 3 SER QB 2.650 . 3.500 2.558 2.274 2.750 . 0 0 "[ . 1 . 2]" 1
85 1 3 SER H 1 3 SER HB3 2.650 . 3.500 2.906 2.561 3.514 0.014 12 0 "[ . 1 . 2]" 1
86 1 3 SER HA 1 3 SER HB2 2.650 . 3.500 2.673 2.489 3.014 . 0 0 "[ . 1 . 2]" 1
87 1 3 SER HA 1 3 SER HB3 2.650 . 3.500 2.391 2.309 3.035 . 0 0 "[ . 1 . 2]" 1
88 1 3 SER HA 1 3 SER HB3 2.300 . 2.800 2.133 2.032 2.397 . 0 0 "[ . 1 . 2]" 1
89 1 3 SER HA 1 4 HIS H 2.300 . 2.800 2.454 2.307 2.612 . 0 0 "[ . 1 . 2]" 1
90 1 3 SER HA 1 20 ALA MB 2.650 . 2.800 2.561 1.978 2.817 0.017 7 0 "[ . 1 . 2]" 1
91 1 3 SER HB2 1 4 HIS H 2.650 . 3.500 2.673 2.144 3.548 0.048 2 0 "[ . 1 . 2]" 1
92 1 3 SER HB2 1 20 ALA MB 3.650 . 5.500 4.675 3.976 5.330 . 0 0 "[ . 1 . 2]" 1
93 1 3 SER HB3 1 20 ALA H 3.650 . 5.500 4.579 4.466 4.697 . 0 0 "[ . 1 . 2]" 1
94 1 4 HIS H 1 4 HIS HA 2.650 . 3.500 2.817 2.796 2.865 . 0 0 "[ . 1 . 2]" 1
95 1 4 HIS H 1 4 HIS HB2 2.650 . 3.500 2.347 2.297 2.395 . 0 0 "[ . 1 . 2]" 1
96 1 4 HIS H 1 4 HIS HB3 2.650 . 3.500 2.647 2.577 2.708 . 0 0 "[ . 1 . 2]" 1
97 1 4 HIS H 1 5 TYR H 3.650 . 5.500 4.555 4.518 4.585 . 0 0 "[ . 1 . 2]" 1
98 1 4 HIS H 1 20 ALA MB 3.650 . 4.500 3.484 2.958 3.806 . 0 0 "[ . 1 . 2]" 1
99 1 4 HIS H 1 23 THR MG 3.650 . 5.500 3.752 3.447 4.046 . 0 0 "[ . 1 . 2]" 1
100 1 4 HIS HA 1 4 HIS HB2 2.650 . 3.500 2.563 2.528 2.590 . 0 0 "[ . 1 . 2]" 1
101 1 4 HIS HA 1 4 HIS HB2 2.650 . 3.500 2.372 2.269 2.424 . 0 0 "[ . 1 . 2]" 1
102 1 4 HIS HA 1 4 HIS HB3 2.300 . 2.800 2.415 2.380 2.476 . 0 0 "[ . 1 . 2]" 1
103 1 4 HIS HA 1 4 HIS HD2 2.650 . 3.500 2.383 2.277 2.511 . 0 0 "[ . 1 . 2]" 1
104 1 4 HIS HA 1 4 HIS HD2 2.650 . 2.800 2.234 2.123 2.317 . 0 0 "[ . 1 . 2]" 1
105 1 4 HIS HA 1 5 TYR H 2.300 . 2.800 1.941 1.927 1.958 . 0 0 "[ . 1 . 2]" 1
106 1 4 HIS HA 1 6 GLY H 3.150 . 3.500 2.864 2.831 2.895 . 0 0 "[ . 1 . 2]" 1
107 1 4 HIS HA 1 23 THR MG 2.650 . 3.500 2.516 2.168 2.935 . 0 0 "[ . 1 . 2]" 1
108 1 4 HIS HA 1 35 CYS HB2 3.650 . 4.500 2.803 2.548 2.938 . 0 0 "[ . 1 . 2]" 1
109 1 4 HIS HA 1 35 CYS HB3 3.150 . 4.500 3.309 3.139 3.466 . 0 0 "[ . 1 . 2]" 1
110 1 4 HIS HB2 1 4 HIS HD2 3.150 . 4.500 3.599 3.461 3.755 . 0 0 "[ . 1 . 2]" 1
111 1 4 HIS HB2 1 4 HIS HD2 2.650 . 3.500 3.307 3.206 3.444 . 0 0 "[ . 1 . 2]" 1
112 1 4 HIS HB2 1 5 TYR H 3.650 . 5.500 4.319 4.273 4.363 . 0 0 "[ . 1 . 2]" 1
113 1 4 HIS HB2 1 5 TYR QE 3.650 . 5.500 4.280 4.180 4.344 . 0 0 "[ . 1 . 2]" 1
114 1 4 HIS HB2 1 23 THR HB 3.150 . 4.500 3.626 3.455 3.819 . 0 0 "[ . 1 . 2]" 1
115 1 4 HIS HB2 1 23 THR MG 3.150 . 4.500 2.390 2.167 2.585 . 0 0 "[ . 1 . 2]" 1
116 1 4 HIS HB3 1 4 HIS HD2 3.150 . 4.500 3.792 3.668 3.873 . 0 0 "[ . 1 . 2]" 1
117 1 4 HIS HB3 1 5 TYR H 3.150 . 4.500 3.641 3.617 3.672 . 0 0 "[ . 1 . 2]" 1
118 1 4 HIS HB3 1 5 TYR QD 2.300 . 2.800 2.378 2.263 2.478 . 0 0 "[ . 1 . 2]" 1
119 1 4 HIS HB3 1 5 TYR QE 3.150 . 4.500 3.935 3.656 4.215 . 0 0 "[ . 1 . 2]" 1
120 1 4 HIS HB3 1 6 GLY H 3.150 . 4.500 4.122 4.053 4.170 . 0 0 "[ . 1 . 2]" 1
121 1 4 HIS HB3 1 23 THR MG 3.150 . 4.500 3.724 3.539 3.867 . 0 0 "[ . 1 . 2]" 1
122 1 4 HIS HB3 1 23 THR MG 3.150 . 4.500 3.223 3.105 3.394 . 0 0 "[ . 1 . 2]" 1
123 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 3.880 3.672 3.985 . 0 0 "[ . 1 . 2]" 1
124 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 4.039 3.999 4.074 . 0 0 "[ . 1 . 2]" 1
125 1 4 HIS HD2 1 5 TYR H 2.650 . 3.500 2.157 1.952 2.476 . 0 0 "[ . 1 . 2]" 1
126 1 4 HIS HD2 1 36 LEU QB 3.150 . 4.500 4.171 4.047 4.290 . 0 0 "[ . 1 . 2]" 1
127 1 4 HIS HD2 1 6 GLY H 3.650 . 5.500 4.218 4.095 4.321 . 0 0 "[ . 1 . 2]" 1
128 1 4 HIS HD2 1 20 ALA MB 3.650 . 5.500 4.866 4.520 5.095 . 0 0 "[ . 1 . 2]" 1
129 1 4 HIS HD2 1 6 GLY H 3.650 . 5.500 4.619 4.437 4.898 . 0 0 "[ . 1 . 2]" 1
130 1 4 HIS HD2 1 20 ALA MB 3.650 . 5.500 5.184 4.856 5.450 . 0 0 "[ . 1 . 2]" 1
131 1 4 HIS HD2 1 23 THR HB 3.650 . 5.500 3.259 2.845 3.629 . 0 0 "[ . 1 . 2]" 1
132 1 4 HIS HD2 1 23 THR MG 3.150 . 3.500 2.772 2.590 3.003 . 0 0 "[ . 1 . 2]" 1
133 1 4 HIS HD2 1 24 THR H 3.650 . 5.500 5.205 4.896 5.511 0.011 16 0 "[ . 1 . 2]" 1
134 1 4 HIS HD2 1 36 LEU H 3.650 . 5.500 4.414 4.196 4.700 . 0 0 "[ . 1 . 2]" 1
135 1 4 HIS HD2 1 36 LEU HA 2.650 . 3.500 2.397 2.238 2.745 . 0 0 "[ . 1 . 2]" 1
136 1 4 HIS HD2 1 36 LEU QB 3.650 . 5.500 4.462 4.328 4.756 . 0 0 "[ . 1 . 2]" 1
137 1 4 HIS HD2 1 36 LEU MD1 3.150 . 4.500 3.405 3.242 3.785 . 0 0 "[ . 1 . 2]" 1
138 1 4 HIS HE1 1 5 TYR QE 3.650 . 5.500 3.310 2.919 3.727 . 0 0 "[ . 1 . 2]" 1
139 1 4 HIS HE1 1 23 THR HB 3.650 . 5.500 5.109 4.963 5.278 . 0 0 "[ . 1 . 2]" 1
140 1 4 HIS HE1 1 23 THR MG 3.650 . 5.500 3.963 3.644 4.230 . 0 0 "[ . 1 . 2]" 1
141 1 4 HIS HE1 1 36 LEU MD1 3.650 . 5.500 4.025 3.967 4.175 . 0 0 "[ . 1 . 2]" 1
142 1 5 TYR H 1 5 TYR HB2 3.650 . 4.500 3.623 3.509 3.686 . 0 0 "[ . 1 . 2]" 1
143 1 5 TYR H 1 5 TYR QD 3.150 . 4.500 3.652 2.580 3.782 . 0 0 "[ . 1 . 2]" 1
144 1 5 TYR H 1 6 GLY H 3.150 . 3.500 2.569 2.540 2.607 . 0 0 "[ . 1 . 2]" 1
145 1 5 TYR H 1 23 THR MG 3.650 . 5.500 4.023 3.786 4.440 . 0 0 "[ . 1 . 2]" 1
146 1 5 TYR H 1 34 GLN HG2 3.650 . 5.500 3.614 3.484 3.747 . 0 0 "[ . 1 . 2]" 1
147 1 5 TYR H 1 35 CYS H 3.650 . 5.500 3.663 3.534 3.766 . 0 0 "[ . 1 . 2]" 1
148 1 5 TYR H 1 35 CYS HB2 3.150 . 4.500 2.744 2.564 2.936 . 0 0 "[ . 1 . 2]" 1
149 1 5 TYR H 1 35 CYS HB3 3.150 . 4.500 3.857 3.731 3.979 . 0 0 "[ . 1 . 2]" 1
150 1 5 TYR H 1 36 LEU HA 3.650 . 5.500 3.522 3.394 3.654 . 0 0 "[ . 1 . 2]" 1
151 1 5 TYR HA 1 5 TYR HB2 2.650 . 3.500 3.021 2.998 3.034 . 0 0 "[ . 1 . 2]" 1
152 1 5 TYR HA 1 5 TYR QD 2.650 . 3.500 2.728 2.415 2.985 . 0 0 "[ . 1 . 2]" 1
153 1 5 TYR HA 1 5 TYR QE 3.650 . 5.500 4.528 4.399 4.685 . 0 0 "[ . 1 . 2]" 1
154 1 5 TYR HA 1 5 TYR QE 3.650 . 5.500 3.842 3.682 4.034 . 0 0 "[ . 1 . 2]" 1
155 1 5 TYR HA 1 34 GLN HB2 3.650 . 5.500 5.089 4.991 5.173 . 0 0 "[ . 1 . 2]" 1
156 1 5 TYR HA 1 34 GLN HE21 3.150 . 4.500 2.593 2.409 2.766 . 0 0 "[ . 1 . 2]" 1
157 1 5 TYR HA 1 34 GLN HE22 3.150 . 4.500 3.615 3.463 3.791 . 0 0 "[ . 1 . 2]" 1
158 1 5 TYR HA 1 34 GLN HG2 3.150 . 4.500 2.425 2.308 2.535 . 0 0 "[ . 1 . 2]" 1
159 1 5 TYR HA 1 34 GLN HG3 3.150 . 4.500 2.978 2.900 3.054 . 0 0 "[ . 1 . 2]" 1
160 1 5 TYR HA 1 35 CYS H 3.150 . 4.500 3.759 3.626 3.872 . 0 0 "[ . 1 . 2]" 1
161 1 5 TYR HB2 1 5 TYR QD 2.300 . 2.800 2.352 2.286 2.723 . 0 0 "[ . 1 . 2]" 1
162 1 5 TYR HB2 1 5 TYR QE 3.150 . 4.500 4.395 4.374 4.501 0.001 10 0 "[ . 1 . 2]" 1
163 1 5 TYR HB2 1 6 GLY H 3.650 . 5.500 3.897 3.821 3.949 . 0 0 "[ . 1 . 2]" 1
164 1 5 TYR HB2 1 34 GLN HE21 3.650 . 5.500 4.122 4.008 4.242 . 0 0 "[ . 1 . 2]" 1
165 1 5 TYR HB2 1 34 GLN HE22 3.650 . 5.500 4.940 4.821 5.091 . 0 0 "[ . 1 . 2]" 1
166 1 5 TYR HB3 1 5 TYR QD 2.300 . 2.800 2.469 2.280 2.565 . 0 0 "[ . 1 . 2]" 1
167 1 5 TYR HB3 1 5 TYR QE 3.650 . 5.500 4.373 4.338 4.401 . 0 0 "[ . 1 . 2]" 1
168 1 5 TYR HB3 1 34 GLN HE21 3.150 . 4.500 2.669 2.538 2.791 . 0 0 "[ . 1 . 2]" 1
169 1 5 TYR HB3 1 34 GLN HE22 3.150 . 3.500 3.235 3.114 3.394 . 0 0 "[ . 1 . 2]" 1
170 1 5 TYR HB3 1 34 GLN HG2 3.650 . 5.500 4.565 4.375 4.725 . 0 0 "[ . 1 . 2]" 1
171 1 5 TYR HB3 1 36 LEU MD1 3.650 . 5.500 4.316 4.108 4.486 . 0 0 "[ . 1 . 2]" 1
172 1 5 TYR QD 1 6 GLY H 3.650 . 5.500 4.883 4.639 4.957 . 0 0 "[ . 1 . 2]" 1
173 1 5 TYR QD 1 34 GLN HG2 3.150 . 4.500 4.004 3.744 4.477 . 0 0 "[ . 1 . 2]" 1
174 1 5 TYR QD 1 34 GLN QG 3.650 . 5.500 3.775 3.562 4.216 . 0 0 "[ . 1 . 2]" 1
175 1 5 TYR QD 1 36 LEU MD1 2.650 . 2.800 2.721 2.470 2.857 0.057 10 0 "[ . 1 . 2]" 1
176 1 5 TYR QE 1 23 THR MG 3.650 . 5.500 5.503 5.363 5.546 0.046 12 0 "[ . 1 . 2]" 1
177 1 5 TYR QE 1 36 LEU MD2 3.150 . 4.500 4.034 3.928 4.133 . 0 0 "[ . 1 . 2]" 1
178 1 5 TYR QE 1 34 GLN HG3 3.650 . 5.500 4.117 3.670 4.495 . 0 0 "[ . 1 . 2]" 1
179 1 5 TYR QE 1 36 LEU MD1 2.650 . 3.500 2.649 2.355 3.035 . 0 0 "[ . 1 . 2]" 1
180 1 6 GLY H 1 6 GLY HA2 2.650 . 3.500 2.907 2.886 2.924 . 0 0 "[ . 1 . 2]" 1
181 1 6 GLY H 1 6 GLY HA3 2.300 . 2.800 2.332 2.318 2.359 . 0 0 "[ . 1 . 2]" 1
182 1 6 GLY H 1 35 CYS H 3.650 . 5.500 3.355 3.230 3.417 . 0 0 "[ . 1 . 2]" 1
183 1 6 GLY H 1 35 CYS HB2 3.150 . 4.500 2.772 2.683 2.818 . 0 0 "[ . 1 . 2]" 1
184 1 6 GLY H 1 35 CYS HB3 3.150 . 4.500 4.483 4.381 4.520 0.020 9 0 "[ . 1 . 2]" 1
185 1 6 GLY HA3 1 8 CYS H 4.150 . 6.500 5.190 5.021 5.385 . 0 0 "[ . 1 . 2]" 1
186 1 6 GLY HA3 1 8 CYS H 4.150 . 6.500 5.126 4.952 5.316 . 0 0 "[ . 1 . 2]" 1
187 1 6 GLY HA3 1 34 GLN HE21 3.150 . 4.500 3.129 2.989 3.308 . 0 0 "[ . 1 . 2]" 1
188 1 6 GLY HA3 1 34 GLN HE21 3.150 . 4.500 3.662 3.637 3.700 . 0 0 "[ . 1 . 2]" 1
189 1 7 GLN H 1 7 GLN HB2 2.300 . 2.800 2.723 2.628 2.801 0.001 13 0 "[ . 1 . 2]" 1
190 1 7 GLN H 1 7 GLN HB3 2.650 . 3.500 2.477 2.366 2.555 . 0 0 "[ . 1 . 2]" 1
191 1 7 GLN H 1 7 GLN HG2 3.150 . 4.500 3.500 3.424 3.581 . 0 0 "[ . 1 . 2]" 1
192 1 7 GLN H 1 8 CYS H 2.300 . 2.800 2.074 2.013 2.132 . 0 0 "[ . 1 . 2]" 1
193 1 7 GLN H 1 34 GLN HE21 3.650 . 5.500 3.331 2.948 3.591 . 0 0 "[ . 1 . 2]" 1
194 1 7 GLN H 1 13 TYR QE 3.650 . 5.500 4.664 4.345 4.956 . 0 0 "[ . 1 . 2]" 1
195 1 7 GLN H 1 32 TYR QE 3.650 . 5.500 4.583 4.260 4.755 . 0 0 "[ . 1 . 2]" 1
196 1 7 GLN H 1 32 TYR QE 3.650 . 5.500 4.898 4.438 5.173 . 0 0 "[ . 1 . 2]" 1
197 1 7 GLN HA 1 9 GLY H 3.150 . 4.500 3.322 3.111 3.496 . 0 0 "[ . 1 . 2]" 1
198 1 7 GLN HA 1 7 GLN HB2 2.650 . 2.800 2.460 2.400 2.494 . 0 0 "[ . 1 . 2]" 1
199 1 7 GLN HA 1 7 GLN HE21 3.150 . 4.500 4.556 4.521 4.595 0.095 10 0 "[ . 1 . 2]" 1
200 1 7 GLN HA 1 7 GLN HG2 2.650 . 3.500 3.067 2.937 3.176 . 0 0 "[ . 1 . 2]" 1
201 1 7 GLN HA 1 7 GLN HG2 3.150 . 3.500 2.479 2.090 2.894 . 0 0 "[ . 1 . 2]" 1
202 1 7 GLN HA 1 7 GLN HG3 2.650 . 2.800 2.577 2.507 2.631 . 0 0 "[ . 1 . 2]" 1
203 1 7 GLN HA 1 8 CYS H 2.650 . 3.500 2.166 2.099 2.257 . 0 0 "[ . 1 . 2]" 1
204 1 7 GLN HA 1 8 CYS H 2.650 . 3.500 2.128 2.069 2.206 . 0 0 "[ . 1 . 2]" 1
205 1 7 GLN HA 1 33 SER HB2 2.650 . 3.500 2.679 2.419 3.137 . 0 0 "[ . 1 . 2]" 1
206 1 7 GLN HA 1 33 SER HB2 3.650 . 5.500 2.771 2.443 3.290 . 0 0 "[ . 1 . 2]" 1
207 1 7 GLN HA 1 32 TYR QE 3.650 . 5.500 3.806 3.458 3.939 . 0 0 "[ . 1 . 2]" 1
208 1 7 GLN HA 1 32 TYR QD 3.650 . 5.500 4.976 4.520 5.204 . 0 0 "[ . 1 . 2]" 1
209 1 7 GLN HA 1 32 TYR QE 3.150 . 4.500 4.317 3.698 4.513 0.013 2 0 "[ . 1 . 2]" 1
210 1 7 GLN HA 1 33 SER H 3.150 . 4.500 3.905 3.753 4.043 . 0 0 "[ . 1 . 2]" 1
211 1 7 GLN HA 1 34 GLN H 3.650 . 5.500 4.664 4.559 4.713 . 0 0 "[ . 1 . 2]" 1
212 1 7 GLN HA 1 34 GLN HB2 3.150 . 4.500 3.909 3.772 4.070 . 0 0 "[ . 1 . 2]" 1
213 1 7 GLN HA 1 34 GLN HB3 3.650 . 5.500 5.048 4.941 5.204 . 0 0 "[ . 1 . 2]" 1
214 1 7 GLN HA 1 34 GLN HG3 3.650 . 5.500 3.610 3.415 3.875 . 0 0 "[ . 1 . 2]" 1
215 1 7 GLN HA 1 35 CYS H 3.150 . 4.500 3.701 3.564 3.888 . 0 0 "[ . 1 . 2]" 1
216 1 7 GLN HB2 1 7 GLN HE22 3.650 . 5.500 4.755 4.647 4.870 . 0 0 "[ . 1 . 2]" 1
217 1 7 GLN HB2 1 7 GLN HG2 2.650 . 3.500 2.956 2.940 2.976 . 0 0 "[ . 1 . 2]" 1
218 1 7 GLN HB2 1 8 CYS H 3.650 . 5.500 4.444 4.298 4.570 . 0 0 "[ . 1 . 2]" 1
219 1 7 GLN HB2 1 8 CYS HA 3.650 . 5.500 4.877 4.803 4.942 . 0 0 "[ . 1 . 2]" 1
220 1 7 GLN HB2 1 9 GLY H 3.650 . 5.500 5.209 4.724 5.555 0.055 19 0 "[ . 1 . 2]" 1
221 1 7 GLN HB2 1 13 TYR QD 3.150 . 4.500 3.634 3.237 3.920 . 0 0 "[ . 1 . 2]" 1
222 1 7 GLN HB2 1 13 TYR QE 3.650 . 5.500 4.519 4.122 4.832 . 0 0 "[ . 1 . 2]" 1
223 1 7 GLN HB2 1 13 TYR QE 2.650 . 3.500 2.779 2.241 2.950 . 0 0 "[ . 1 . 2]" 1
224 1 7 GLN HB2 1 32 TYR QD 3.150 . 4.500 3.724 3.263 4.047 . 0 0 "[ . 1 . 2]" 1
225 1 7 GLN HB2 1 32 TYR QE 2.650 . 3.500 2.809 2.246 3.007 . 0 0 "[ . 1 . 2]" 1
226 1 7 GLN HB2 1 33 SER H 3.150 . 4.500 2.935 2.893 2.977 . 0 0 "[ . 1 . 2]" 1
227 1 7 GLN HB2 1 34 GLN HE22 3.150 . 4.500 3.766 3.749 3.780 . 0 0 "[ . 1 . 2]" 1
228 1 7 GLN HB3 1 7 GLN HE21 3.650 . 5.500 4.070 4.023 4.139 . 0 0 "[ . 1 . 2]" 1
229 1 7 GLN HB3 1 7 GLN HE22 3.650 . 5.500 4.495 4.422 4.562 . 0 0 "[ . 1 . 2]" 1
230 1 7 GLN HB3 1 8 CYS H 3.650 . 5.500 4.394 4.331 4.439 . 0 0 "[ . 1 . 2]" 1
231 1 7 GLN HB3 1 9 GLY H 3.650 . 5.500 4.915 4.357 5.374 . 0 0 "[ . 1 . 2]" 1
232 1 7 GLN HB3 1 13 TYR QE 3.150 . 3.500 2.877 2.484 3.229 . 0 0 "[ . 1 . 2]" 1
233 1 7 GLN HB3 1 32 TYR QE 3.150 . 4.500 4.413 3.969 4.517 0.017 11 0 "[ . 1 . 2]" 1
234 1 7 GLN HE21 1 7 GLN HG2 3.150 . 4.500 2.206 2.174 2.260 . 0 0 "[ . 1 . 2]" 1
235 1 7 GLN HE21 1 7 GLN HG3 2.650 . 3.500 2.855 2.830 2.889 . 0 0 "[ . 1 . 2]" 1
236 1 7 GLN HE21 1 9 GLY H 3.650 . 5.500 4.038 3.648 4.485 . 0 0 "[ . 1 . 2]" 1
237 1 7 GLN HE21 1 9 GLY H 3.150 . 4.500 3.269 3.003 3.527 . 0 0 "[ . 1 . 2]" 1
238 1 7 GLN HE21 1 10 GLY HA3 3.650 . 5.500 4.195 3.845 4.535 . 0 0 "[ . 1 . 2]" 1
239 1 7 GLN HE21 1 13 TYR H 3.650 . 5.500 5.005 4.542 5.423 . 0 0 "[ . 1 . 2]" 1
240 1 7 GLN HE21 1 13 TYR H 3.650 . 5.500 4.703 4.406 4.968 . 0 0 "[ . 1 . 2]" 1
241 1 7 GLN HE21 1 13 TYR HB2 3.150 . 3.500 2.720 2.304 3.012 . 0 0 "[ . 1 . 2]" 1
242 1 7 GLN HE21 1 13 TYR HB3 3.150 . 4.500 3.729 2.814 4.117 . 0 0 "[ . 1 . 2]" 1
243 1 7 GLN HE21 1 32 TYR HA 3.150 . 4.500 3.488 3.144 3.870 . 0 0 "[ . 1 . 2]" 1
244 1 7 GLN HE21 1 33 SER H 3.150 . 4.500 3.464 3.196 3.758 . 0 0 "[ . 1 . 2]" 1
245 1 7 GLN HE22 1 10 GLY HA2 3.650 . 5.500 5.482 5.168 5.596 0.096 1 0 "[ . 1 . 2]" 1
246 1 7 GLN HE22 1 10 GLY HA3 3.650 . 5.500 5.095 4.551 5.521 0.021 15 0 "[ . 1 . 2]" 1
247 1 7 GLN HE22 1 13 TYR HA 3.150 . 4.500 3.636 3.237 3.838 . 0 0 "[ . 1 . 2]" 1
248 1 7 GLN HE22 1 13 TYR HB2 2.650 . 3.500 3.315 2.871 3.532 0.032 16 0 "[ . 1 . 2]" 1
249 1 7 GLN HE22 1 13 TYR HB2 2.650 . 3.500 3.224 2.841 3.416 . 0 0 "[ . 1 . 2]" 1
250 1 7 GLN HG2 1 8 CYS H 3.150 . 4.500 3.611 3.459 3.758 . 0 0 "[ . 1 . 2]" 1
251 1 7 GLN HG2 1 8 CYS HA 3.150 . 4.500 3.730 3.558 3.901 . 0 0 "[ . 1 . 2]" 1
252 1 7 GLN HG2 1 9 GLY H 2.650 . 3.500 2.869 2.324 3.337 . 0 0 "[ . 1 . 2]" 1
253 1 7 GLN HG2 1 9 GLY H 2.650 . 3.500 2.681 2.263 3.023 . 0 0 "[ . 1 . 2]" 1
254 1 7 GLN HG2 1 10 GLY H 3.650 . 5.500 3.683 3.488 3.904 . 0 0 "[ . 1 . 2]" 1
255 1 7 GLN HG2 1 13 TYR HB2 3.650 . 5.500 3.643 3.462 3.816 . 0 0 "[ . 1 . 2]" 1
256 1 7 GLN HG2 1 13 TYR QE 3.650 . 5.500 3.498 2.929 4.036 . 0 0 "[ . 1 . 2]" 1
257 1 7 GLN HG2 1 27 VAL HA 3.650 . 5.500 5.053 4.906 5.131 . 0 0 "[ . 1 . 2]" 1
258 1 7 GLN HG2 1 32 TYR HA 3.150 . 4.500 4.229 3.844 4.414 . 0 0 "[ . 1 . 2]" 1
259 1 7 GLN HG2 1 33 SER H 3.150 . 4.500 3.312 3.037 3.456 . 0 0 "[ . 1 . 2]" 1
260 1 7 GLN HG3 1 8 CYS H 3.150 . 4.500 3.752 3.446 4.086 . 0 0 "[ . 1 . 2]" 1
261 1 7 GLN HG3 1 8 CYS H 3.150 . 4.500 3.708 3.420 4.018 . 0 0 "[ . 1 . 2]" 1
262 1 7 GLN HG3 1 9 GLY H 2.650 . 3.500 2.152 1.978 2.339 . 0 0 "[ . 1 . 2]" 1
263 1 7 GLN HG3 1 34 GLN H 3.650 . 5.500 4.482 4.401 4.637 . 0 0 "[ . 1 . 2]" 1
264 1 7 GLN HG3 1 34 GLN H 3.150 . 4.500 3.725 3.633 3.978 . 0 0 "[ . 1 . 2]" 1
265 1 7 GLN HG3 1 32 TYR HA 2.650 . 3.500 2.434 2.349 2.482 . 0 0 "[ . 1 . 2]" 1
266 1 7 GLN HG3 1 32 TYR QD 3.150 . 4.500 3.381 2.678 3.978 . 0 0 "[ . 1 . 2]" 1
267 1 7 GLN HG3 1 32 TYR QE 3.150 . 4.500 3.892 3.327 4.453 . 0 0 "[ . 1 . 2]" 1
268 1 7 GLN HG3 1 33 SER H 3.150 . 3.500 2.183 1.987 2.433 . 0 0 "[ . 1 . 2]" 1
269 1 8 CYS H 1 8 CYS HB2 3.650 . 5.500 3.518 3.459 3.623 . 0 0 "[ . 1 . 2]" 1
270 1 8 CYS H 1 8 CYS HB3 2.650 . 3.500 2.494 2.354 2.615 . 0 0 "[ . 1 . 2]" 1
271 1 8 CYS H 1 9 GLY H 2.300 . 2.800 2.600 2.407 2.806 0.006 19 0 "[ . 1 . 2]" 1
272 1 8 CYS H 1 13 TYR QD 3.150 . 4.500 4.188 4.132 4.226 . 0 0 "[ . 1 . 2]" 1
273 1 8 CYS H 1 33 SER H 3.150 . 4.500 3.870 3.751 3.948 . 0 0 "[ . 1 . 2]" 1
274 1 8 CYS H 1 35 CYS H 3.650 . 5.500 3.370 3.149 3.524 . 0 0 "[ . 1 . 2]" 1
275 1 8 CYS HA 1 8 CYS HB2 2.650 . 3.500 2.585 2.532 2.614 . 0 0 "[ . 1 . 2]" 1
276 1 8 CYS HA 1 8 CYS HB3 . . 2.800 2.350 2.313 2.404 . 0 0 "[ . 1 . 2]" 1
277 1 8 CYS HA 1 8 CYS HB3 2.300 . 2.800 2.273 2.245 2.316 . 0 0 "[ . 1 . 2]" 1
278 1 8 CYS HA 1 9 GLY H 3.150 . 4.500 3.485 3.386 3.539 . 0 0 "[ . 1 . 2]" 1
279 1 8 CYS HA 1 13 TYR QD 3.150 . 4.500 3.963 3.757 4.164 . 0 0 "[ . 1 . 2]" 1
280 1 8 CYS HA 1 13 TYR QE 3.650 . 4.500 4.272 4.046 4.477 . 0 0 "[ . 1 . 2]" 1
281 1 8 CYS HA 1 13 TYR QE 2.650 . 3.500 2.852 2.538 3.198 . 0 0 "[ . 1 . 2]" 1
282 1 8 CYS HA 1 17 THR MG 3.650 . 5.500 3.246 2.982 3.506 . 0 0 "[ . 1 . 2]" 1
283 1 8 CYS HA 1 17 THR HA 3.650 . 5.500 3.149 3.021 3.282 . 0 0 "[ . 1 . 2]" 1
284 1 8 CYS HA 1 17 THR MG 3.150 . 4.500 4.500 4.403 4.545 0.045 7 0 "[ . 1 . 2]" 1
285 1 8 CYS HB2 1 10 GLY HA2 4.150 . 6.500 6.607 6.574 6.639 0.139 19 0 "[ . 1 . 2]" 1
286 1 8 CYS HB2 1 17 THR HA 3.650 . 5.500 2.951 2.557 3.342 . 0 0 "[ . 1 . 2]" 1
287 1 8 CYS HB2 1 17 THR HB 3.150 . 4.500 3.729 3.586 3.850 . 0 0 "[ . 1 . 2]" 1
288 1 8 CYS HB2 1 17 THR MG 3.650 . 5.500 4.098 3.954 4.304 . 0 0 "[ . 1 . 2]" 1
289 1 8 CYS HB2 1 19 CYS H 3.650 . 5.500 4.950 4.587 5.138 . 0 0 "[ . 1 . 2]" 1
290 1 8 CYS HB2 1 25 CYS HB2 3.150 . 4.500 3.067 2.892 3.254 . 0 0 "[ . 1 . 2]" 1
291 1 8 CYS HB3 1 13 TYR QE 3.650 . 5.500 4.293 4.265 4.314 . 0 0 "[ . 1 . 2]" 1
292 1 8 CYS HB3 1 13 TYR QE 3.150 . 4.500 3.893 3.872 3.915 . 0 0 "[ . 1 . 2]" 1
293 1 8 CYS HB3 1 35 CYS H 3.650 . 5.500 4.479 4.287 4.672 . 0 0 "[ . 1 . 2]" 1
294 1 9 GLY H 1 9 GLY HA2 2.650 . 3.500 2.572 2.397 2.743 . 0 0 "[ . 1 . 2]" 1
295 1 9 GLY H 1 9 GLY HA3 2.650 . 3.500 2.878 2.812 2.913 . 0 0 "[ . 1 . 2]" 1
296 1 9 GLY H 1 10 GLY H 3.650 . 5.500 3.636 3.452 3.812 . 0 0 "[ . 1 . 2]" 1
297 1 9 GLY H 1 10 GLY H 3.150 . 4.500 3.172 2.900 3.367 . 0 0 "[ . 1 . 2]" 1
298 1 9 GLY H 1 33 SER HB2 2.650 . 3.500 1.889 1.795 2.139 0.005 3 0 "[ . 1 . 2]" 1
299 1 9 GLY H 1 33 SER HB2 3.150 . 4.500 1.941 1.827 2.250 . 0 0 "[ . 1 . 2]" 1
300 1 9 GLY H 1 33 SER HB3 3.650 . 5.500 3.408 3.177 3.727 . 0 0 "[ . 1 . 2]" 1
301 1 9 GLY HA2 1 10 GLY H 2.300 . 2.800 2.025 1.998 2.086 . 0 0 "[ . 1 . 2]" 1
302 1 9 GLY HA2 1 13 TYR HB2 3.150 . 4.500 2.803 2.457 3.448 . 0 0 "[ . 1 . 2]" 1
303 1 9 GLY HA2 1 13 TYR HB3 3.150 . 4.500 2.427 1.898 3.226 . 0 0 "[ . 1 . 2]" 1
304 1 9 GLY HA2 1 13 TYR QD 2.650 . 3.500 3.022 2.690 3.338 . 0 0 "[ . 1 . 2]" 1
305 1 9 GLY HA2 1 13 TYR QE 3.650 . 5.500 4.252 4.000 4.512 . 0 0 "[ . 1 . 2]" 1
306 1 9 GLY HA2 1 17 THR MG 3.650 . 4.500 3.835 2.943 4.522 0.022 1 0 "[ . 1 . 2]" 1
307 1 9 GLY HA3 1 33 SER HB2 3.150 . 3.500 3.516 3.479 3.542 0.042 17 0 "[ . 1 . 2]" 1
308 1 9 GLY HA3 1 33 SER HB2 3.150 . 4.500 3.627 3.578 3.692 . 0 0 "[ . 1 . 2]" 1
309 1 9 GLY HA3 1 13 TYR QD 3.150 . 4.500 3.079 2.688 3.612 . 0 0 "[ . 1 . 2]" 1
310 1 9 GLY HA3 1 17 THR MG 2.650 . 3.500 2.427 1.935 3.006 . 0 0 "[ . 1 . 2]" 1
311 1 10 GLY H 1 10 GLY HA3 2.300 . 2.800 2.301 2.223 2.363 . 0 0 "[ . 1 . 2]" 1
312 1 10 GLY H 1 13 TYR H 2.650 . 3.500 3.172 3.004 3.440 . 0 0 "[ . 1 . 2]" 1
313 1 10 GLY H 1 13 TYR HB2 3.150 . 3.500 2.864 2.393 3.432 . 0 0 "[ . 1 . 2]" 1
314 1 10 GLY H 1 13 TYR HB3 2.650 . 3.500 2.924 2.039 3.515 0.015 1 0 "[ . 1 . 2]" 1
315 1 10 GLY H 1 13 TYR QD 3.150 . 4.500 3.198 3.069 3.436 . 0 0 "[ . 1 . 2]" 1
316 1 10 GLY HA2 1 11 ILE H 2.650 . 3.500 2.868 2.802 2.917 . 0 0 "[ . 1 . 2]" 1
317 1 10 GLY HA2 1 11 ILE HG12 3.650 . 5.500 5.109 5.038 5.171 . 0 0 "[ . 1 . 2]" 1
318 1 10 GLY HA2 1 11 ILE HG13 4.150 . 6.500 4.254 4.148 4.374 . 0 0 "[ . 1 . 2]" 1
319 1 10 GLY HA2 1 27 VAL MG2 3.150 . 3.500 3.001 2.897 3.095 . 0 0 "[ . 1 . 2]" 1
320 1 10 GLY HA2 1 13 TYR HB3 3.150 . 4.500 4.406 4.224 4.538 0.038 7 0 "[ . 1 . 2]" 1
321 1 10 GLY HA2 1 13 TYR HB2 3.150 . 4.500 3.624 3.446 3.751 . 0 0 "[ . 1 . 2]" 1
322 1 10 GLY HA2 1 27 VAL HB 3.650 . 5.500 5.627 5.585 5.671 0.171 18 0 "[ . 1 . 2]" 1
323 1 10 GLY HA2 1 30 PRO HB2 4.150 . 6.500 6.533 6.513 6.547 0.047 14 0 "[ . 1 . 2]" 1
324 1 10 GLY HA3 1 11 ILE H 2.300 . 2.800 2.259 2.201 2.336 . 0 0 "[ . 1 . 2]" 1
325 1 10 GLY HA3 1 11 ILE H 2.650 . 3.500 2.153 2.024 2.207 . 0 0 "[ . 1 . 2]" 1
326 1 10 GLY HA3 1 31 TYR QD 3.650 . 5.500 4.278 4.131 4.395 . 0 0 "[ . 1 . 2]" 1
327 1 10 GLY HA3 1 11 ILE MD 3.650 . 5.500 4.794 4.540 5.004 . 0 0 "[ . 1 . 2]" 1
328 1 10 GLY HA3 1 11 ILE HG13 4.150 . 6.500 3.852 3.716 4.048 . 0 0 "[ . 1 . 2]" 1
329 1 10 GLY HA3 1 13 TYR H 3.650 . 5.500 3.787 3.682 3.903 . 0 0 "[ . 1 . 2]" 1
330 1 10 GLY HA3 1 32 TYR H 3.150 . 4.500 3.950 3.797 4.139 . 0 0 "[ . 1 . 2]" 1
331 1 10 GLY HA3 1 33 SER H 3.150 . 4.500 3.890 3.484 4.156 . 0 0 "[ . 1 . 2]" 1
332 1 11 ILE H 1 11 ILE HB 2.300 . 2.800 2.557 2.500 2.608 . 0 0 "[ . 1 . 2]" 1
333 1 11 ILE H 1 11 ILE MD 3.150 . 4.500 3.521 3.440 3.601 . 0 0 "[ . 1 . 2]" 1
334 1 11 ILE H 1 11 ILE HG12 2.650 . 3.500 3.323 3.219 3.446 . 0 0 "[ . 1 . 2]" 1
335 1 11 ILE H 1 11 ILE HG13 3.150 . 3.500 2.033 1.915 2.168 . 0 0 "[ . 1 . 2]" 1
336 1 11 ILE H 1 11 ILE MG 3.150 . 4.500 3.769 3.730 3.798 . 0 0 "[ . 1 . 2]" 1
337 1 11 ILE H 1 12 GLY HA3 3.650 . 5.500 5.095 4.988 5.215 . 0 0 "[ . 1 . 2]" 1
338 1 11 ILE H 1 13 TYR H 3.650 . 5.500 4.327 4.191 4.510 . 0 0 "[ . 1 . 2]" 1
339 1 11 ILE H 1 13 TYR HB2 3.650 . 5.500 4.279 4.202 4.388 . 0 0 "[ . 1 . 2]" 1
340 1 11 ILE H 1 31 TYR HB2 3.650 . 5.500 3.973 3.849 4.125 . 0 0 "[ . 1 . 2]" 1
341 1 11 ILE H 1 13 TYR HB3 3.650 . 5.500 4.778 4.625 4.927 . 0 0 "[ . 1 . 2]" 1
342 1 11 ILE H 1 31 TYR HA 2.300 . 2.800 2.163 1.917 2.427 . 0 0 "[ . 1 . 2]" 1
343 1 11 ILE H 1 31 TYR HB3 3.650 . 5.500 4.419 4.085 4.700 . 0 0 "[ . 1 . 2]" 1
344 1 11 ILE H 1 31 TYR QD 3.650 . 4.500 4.037 3.681 4.230 . 0 0 "[ . 1 . 2]" 1
345 1 11 ILE HA 1 11 ILE HG12 3.150 . 3.500 2.597 2.548 2.639 . 0 0 "[ . 1 . 2]" 1
346 1 11 ILE HA 1 11 ILE HG13 2.650 . 3.500 3.041 2.988 3.086 . 0 0 "[ . 1 . 2]" 1
347 1 11 ILE HA 1 11 ILE MG 2.650 . 2.800 2.415 2.384 2.468 . 0 0 "[ . 1 . 2]" 1
348 1 11 ILE HA 1 12 GLY H 2.300 . 2.800 2.173 2.099 2.212 . 0 0 "[ . 1 . 2]" 1
349 1 11 ILE HA 1 13 TYR H 2.650 . 3.500 3.484 3.353 3.544 0.044 12 0 "[ . 1 . 2]" 1
350 1 11 ILE HA 1 31 TYR QE 3.650 . 5.500 5.462 5.279 5.536 0.036 6 0 "[ . 1 . 2]" 1
351 1 11 ILE HB 1 11 ILE MD 2.650 . 3.500 2.420 2.379 2.458 . 0 0 "[ . 1 . 2]" 1
352 1 11 ILE HB 1 11 ILE MD 2.300 . 2.800 2.248 2.125 2.326 . 0 0 "[ . 1 . 2]" 1
353 1 11 ILE HB 1 11 ILE HG12 2.650 . 3.500 3.027 3.018 3.034 . 0 0 "[ . 1 . 2]" 1
354 1 11 ILE HB 1 11 ILE MG 2.300 . 2.800 2.134 2.124 2.145 . 0 0 "[ . 1 . 2]" 1
355 1 11 ILE HB 1 12 GLY H 3.650 . 5.500 4.229 4.127 4.395 . 0 0 "[ . 1 . 2]" 1
356 1 11 ILE HB 1 30 PRO HA 3.650 . 5.500 4.191 4.118 4.255 . 0 0 "[ . 1 . 2]" 1
357 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.405 2.134 2.570 . 0 0 "[ . 1 . 2]" 1
358 1 11 ILE HB 1 31 TYR QE 3.150 . 4.500 2.791 2.609 3.012 . 0 0 "[ . 1 . 2]" 1
359 1 11 ILE HB 1 31 TYR HA 3.150 . 4.500 3.023 2.670 3.188 . 0 0 "[ . 1 . 2]" 1
360 1 11 ILE HB 1 31 TYR HB3 3.650 . 5.500 4.185 3.878 4.509 . 0 0 "[ . 1 . 2]" 1
361 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.600 2.176 2.848 . 0 0 "[ . 1 . 2]" 1
362 1 11 ILE HB 1 31 TYR QE 2.650 . 3.500 3.095 2.787 3.262 . 0 0 "[ . 1 . 2]" 1
363 1 11 ILE MD 1 11 ILE HG12 2.300 . 2.800 2.115 2.108 2.119 . 0 0 "[ . 1 . 2]" 1
364 1 11 ILE MD 1 11 ILE HG13 2.300 . 2.800 2.121 2.114 2.124 . 0 0 "[ . 1 . 2]" 1
365 1 11 ILE MD 1 11 ILE MG 2.300 . 2.800 1.954 1.889 1.977 . 0 0 "[ . 1 . 2]" 1
366 1 11 ILE MD 1 12 GLY H 3.650 . 5.500 4.414 4.281 4.521 . 0 0 "[ . 1 . 2]" 1
367 1 11 ILE MD 1 12 GLY HA2 4.150 . 6.500 6.421 6.339 6.505 0.005 9 0 "[ . 1 . 2]" 1
368 1 11 ILE MD 1 31 TYR HB2 3.650 . 5.500 4.074 3.883 4.313 . 0 0 "[ . 1 . 2]" 1
369 1 11 ILE MD 1 30 PRO HA 3.150 . 4.500 3.753 3.621 3.884 . 0 0 "[ . 1 . 2]" 1
370 1 11 ILE MD 1 30 PRO HB2 3.150 . 4.500 2.692 2.366 2.956 . 0 0 "[ . 1 . 2]" 1
371 1 11 ILE MD 1 30 PRO HB3 2.650 . 3.500 2.518 2.379 2.755 . 0 0 "[ . 1 . 2]" 1
372 1 11 ILE MD 1 31 TYR H 3.650 . 5.500 4.786 4.420 4.995 . 0 0 "[ . 1 . 2]" 1
373 1 11 ILE MD 1 31 TYR HA 3.650 . 4.500 4.333 4.080 4.516 0.016 1 0 "[ . 1 . 2]" 1
374 1 11 ILE MD 1 31 TYR QD 3.150 . 4.500 4.042 3.723 4.288 . 0 0 "[ . 1 . 2]" 1
375 1 11 ILE MD 1 31 TYR QE 3.150 . 4.500 3.586 3.244 3.875 . 0 0 "[ . 1 . 2]" 1
376 1 11 ILE HG12 1 31 TYR HA 3.650 . 5.500 5.150 4.901 5.365 . 0 0 "[ . 1 . 2]" 1
377 1 11 ILE HG12 1 31 TYR QD 3.650 . 5.500 5.406 5.090 5.517 0.017 1 0 "[ . 1 . 2]" 1
378 1 11 ILE HG13 1 12 GLY H 3.150 . 4.500 3.523 3.426 3.590 . 0 0 "[ . 1 . 2]" 1
379 1 11 ILE HG13 1 31 TYR QE 3.650 . 5.500 4.453 4.350 4.596 . 0 0 "[ . 1 . 2]" 1
380 1 11 ILE HG13 1 31 TYR QD 3.650 . 5.500 4.732 4.380 4.878 . 0 0 "[ . 1 . 2]" 1
381 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.251 2.200 2.319 . 0 0 "[ . 1 . 2]" 1
382 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.738 2.605 2.974 . 0 0 "[ . 1 . 2]" 1
383 1 11 ILE MG 1 12 GLY H 2.300 . 2.800 2.305 2.246 2.376 . 0 0 "[ . 1 . 2]" 1
384 1 11 ILE MG 1 12 GLY HA2 3.150 . 4.500 3.520 3.395 3.664 . 0 0 "[ . 1 . 2]" 1
385 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 2.864 2.371 3.052 . 0 0 "[ . 1 . 2]" 1
386 1 11 ILE MG 1 30 PRO HB3 3.150 . 4.500 3.725 3.596 4.053 . 0 0 "[ . 1 . 2]" 1
387 1 11 ILE MG 1 31 TYR HA 3.150 . 4.500 4.443 4.154 4.540 0.040 1 0 "[ . 1 . 2]" 1
388 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 3.102 2.705 3.310 . 0 0 "[ . 1 . 2]" 1
389 1 11 ILE MG 1 31 TYR QE 2.650 . 3.500 2.636 2.464 2.777 . 0 0 "[ . 1 . 2]" 1
390 1 12 GLY H 1 12 GLY HA2 2.300 . 2.800 2.414 2.382 2.450 . 0 0 "[ . 1 . 2]" 1
391 1 12 GLY H 1 12 GLY HA3 2.650 . 3.500 2.937 2.923 2.951 . 0 0 "[ . 1 . 2]" 1
392 1 12 GLY H 1 13 TYR H 2.650 . 3.500 2.385 2.161 2.567 . 0 0 "[ . 1 . 2]" 1
393 1 12 GLY H 1 13 TYR HB2 3.150 . 4.500 3.704 3.550 3.786 . 0 0 "[ . 1 . 2]" 1
394 1 12 GLY H 1 13 TYR HB2 3.150 . 4.500 3.557 3.436 3.616 . 0 0 "[ . 1 . 2]" 1
395 1 12 GLY H 1 13 TYR HB3 3.150 . 4.500 4.046 3.988 4.093 . 0 0 "[ . 1 . 2]" 1
396 1 12 GLY H 1 31 TYR QE 3.650 . 5.500 4.395 3.781 4.572 . 0 0 "[ . 1 . 2]" 1
397 1 12 GLY HA2 1 13 TYR H 3.150 . 4.500 3.349 3.167 3.432 . 0 0 "[ . 1 . 2]" 1
398 1 12 GLY HA2 1 31 TYR QD 3.150 . 4.500 4.160 4.014 4.291 . 0 0 "[ . 1 . 2]" 1
399 1 12 GLY HA3 1 31 TYR QE 3.650 . 5.500 4.787 4.300 5.388 . 0 0 "[ . 1 . 2]" 1
400 1 13 TYR H 1 13 TYR HA 2.650 . 3.500 2.934 2.899 2.953 . 0 0 "[ . 1 . 2]" 1
401 1 13 TYR H 1 13 TYR HB2 2.300 . 2.800 2.481 2.342 2.593 . 0 0 "[ . 1 . 2]" 1
402 1 13 TYR H 1 13 TYR HB3 2.300 . 2.800 2.604 2.528 2.663 . 0 0 "[ . 1 . 2]" 1
403 1 13 TYR H 1 13 TYR HB3 2.300 . 2.800 2.465 2.413 2.510 . 0 0 "[ . 1 . 2]" 1
404 1 13 TYR HA 1 13 TYR HB2 2.300 . 2.800 2.556 2.518 2.583 . 0 0 "[ . 1 . 2]" 1
405 1 13 TYR HA 1 13 TYR HB2 2.300 . 2.800 2.255 2.223 2.286 . 0 0 "[ . 1 . 2]" 1
406 1 13 TYR HA 1 13 TYR QD 2.650 . 3.500 3.175 3.132 3.232 . 0 0 "[ . 1 . 2]" 1
407 1 13 TYR HA 1 13 TYR QD 2.300 . 2.800 2.525 2.352 2.617 . 0 0 "[ . 1 . 2]" 1
408 1 13 TYR HA 1 13 TYR QE 3.650 . 5.500 4.503 4.432 4.597 . 0 0 "[ . 1 . 2]" 1
409 1 13 TYR HA 1 14 SER H 2.300 . 2.800 2.197 2.150 2.299 . 0 0 "[ . 1 . 2]" 1
410 1 13 TYR HB2 1 13 TYR QD 2.650 . 3.500 2.280 2.222 2.308 . 0 0 "[ . 1 . 2]" 1
411 1 13 TYR HB2 1 13 TYR QD 2.300 . 2.800 2.119 2.078 2.167 . 0 0 "[ . 1 . 2]" 1
412 1 13 TYR HB2 1 14 SER H 3.650 . 5.500 4.414 4.308 4.529 . 0 0 "[ . 1 . 2]" 1
413 1 13 TYR HB3 1 13 TYR QD 2.300 . 2.800 2.599 2.522 2.677 . 0 0 "[ . 1 . 2]" 1
414 1 13 TYR HB3 1 14 SER H 3.650 . 5.500 4.141 3.968 4.309 . 0 0 "[ . 1 . 2]" 1
415 1 13 TYR HB3 1 14 SER HA 3.650 . 5.500 4.135 4.044 4.203 . 0 0 "[ . 1 . 2]" 1
416 1 13 TYR HB3 1 14 SER HA 3.150 . 4.500 4.171 4.089 4.235 . 0 0 "[ . 1 . 2]" 1
417 1 13 TYR QD 1 14 SER H 3.150 . 4.500 3.208 2.880 3.654 . 0 0 "[ . 1 . 2]" 1
418 1 13 TYR QD 1 15 GLY H 3.150 . 4.500 2.286 1.987 2.654 . 0 0 "[ . 1 . 2]" 1
419 1 13 TYR QD 1 15 GLY HA3 3.650 . 5.500 3.880 3.713 4.041 . 0 0 "[ . 1 . 2]" 1
420 1 13 TYR QD 1 17 THR MG 3.150 . 4.500 2.243 1.990 2.545 . 0 0 "[ . 1 . 2]" 1
421 1 13 TYR QE 1 14 SER H 3.650 . 5.500 3.658 3.491 3.881 . 0 0 "[ . 1 . 2]" 1
422 1 13 TYR QE 1 15 GLY HA2 3.650 . 5.500 4.161 3.921 4.498 . 0 0 "[ . 1 . 2]" 1
423 1 13 TYR QE 1 15 GLY HA3 3.150 . 4.500 2.931 2.674 3.272 . 0 0 "[ . 1 . 2]" 1
424 1 13 TYR QE 1 16 PRO HB2 3.650 . 5.500 3.355 3.001 3.543 . 0 0 "[ . 1 . 2]" 1
425 1 13 TYR QE 1 17 THR HA 3.650 . 5.500 3.681 3.512 3.890 . 0 0 "[ . 1 . 2]" 1
426 1 13 TYR QE 1 17 THR MG 2.650 . 3.500 3.152 2.998 3.365 . 0 0 "[ . 1 . 2]" 1
427 1 14 SER H 1 14 SER HB3 3.150 . 4.500 3.139 2.964 3.310 . 0 0 "[ . 1 . 2]" 1
428 1 14 SER H 1 15 GLY H 2.650 . 3.500 2.135 1.962 2.323 . 0 0 "[ . 1 . 2]" 1
429 1 14 SER HA 1 14 SER HB2 2.650 . 3.500 2.558 2.504 2.664 . 0 0 "[ . 1 . 2]" 1
430 1 14 SER HA 1 14 SER HB2 2.650 . 3.500 2.517 2.466 2.612 . 0 0 "[ . 1 . 2]" 1
431 1 14 SER HA 1 14 SER HB3 2.650 . 2.800 2.343 2.275 2.379 . 0 0 "[ . 1 . 2]" 1
432 1 14 SER HA 1 17 THR MG 3.150 . 4.500 2.912 2.381 3.428 . 0 0 "[ . 1 . 2]" 1
433 1 15 GLY H 1 15 GLY HA3 2.650 . 3.500 2.330 2.305 2.391 . 0 0 "[ . 1 . 2]" 1
434 1 15 GLY HA2 1 16 PRO HB2 3.650 . 4.500 3.826 3.743 3.918 . 0 0 "[ . 1 . 2]" 1
435 1 15 GLY HA2 1 16 PRO QG 3.150 . 4.500 4.501 4.434 4.540 0.040 6 0 "[ . 1 . 2]" 1
436 1 15 GLY HA2 1 16 PRO QG 3.650 . 5.500 4.189 4.140 4.227 . 0 0 "[ . 1 . 2]" 1
437 1 16 PRO HA 1 16 PRO HB3 2.300 . 2.800 2.285 2.256 2.298 . 0 0 "[ . 1 . 2]" 1
438 1 16 PRO HA 1 16 PRO HD2 3.150 . 4.500 3.927 3.911 3.954 . 0 0 "[ . 1 . 2]" 1
439 1 16 PRO HA 1 16 PRO HG2 3.150 . 4.500 3.981 3.946 4.030 . 0 0 "[ . 1 . 2]" 1
440 1 16 PRO HA 1 16 PRO QG 2.650 . 3.500 2.974 2.902 3.128 . 0 0 "[ . 1 . 2]" 1
441 1 16 PRO HA 1 17 THR H 2.300 . 2.800 2.349 2.248 2.417 . 0 0 "[ . 1 . 2]" 1
442 1 16 PRO HA 1 17 THR MG 2.650 . 3.500 3.526 3.497 3.547 0.047 12 0 "[ . 1 . 2]" 1
443 1 16 PRO HA 1 18 VAL H 3.650 . 5.500 3.027 2.810 3.187 . 0 0 "[ . 1 . 2]" 1
444 1 16 PRO HB2 1 16 PRO HD2 3.650 . 4.500 2.902 2.833 3.038 . 0 0 "[ . 1 . 2]" 1
445 1 16 PRO HB2 1 16 PRO HD3 3.650 . 4.500 3.860 3.825 3.927 . 0 0 "[ . 1 . 2]" 1
446 1 16 PRO HB2 1 16 PRO QG 2.300 . 2.800 2.244 2.213 2.271 . 0 0 "[ . 1 . 2]" 1
447 1 16 PRO HB2 1 16 PRO HG3 2.650 . 3.500 2.980 2.957 3.000 . 0 0 "[ . 1 . 2]" 1
448 1 16 PRO HB2 1 17 THR H 3.650 . 5.500 4.292 4.233 4.327 . 0 0 "[ . 1 . 2]" 1
449 1 16 PRO HB2 1 18 VAL H 3.650 . 5.500 4.383 4.029 4.880 . 0 0 "[ . 1 . 2]" 1
450 1 16 PRO HB3 1 16 PRO HD2 3.150 . 4.500 3.858 3.833 3.889 . 0 0 "[ . 1 . 2]" 1
451 1 16 PRO HB3 1 16 PRO HD3 3.150 . 4.500 4.051 3.997 4.070 . 0 0 "[ . 1 . 2]" 1
452 1 16 PRO HB3 1 16 PRO HG2 2.650 . 3.500 2.659 2.642 2.701 . 0 0 "[ . 1 . 2]" 1
453 1 16 PRO HB3 1 16 PRO QG 2.300 . 2.800 2.171 2.147 2.188 . 0 0 "[ . 1 . 2]" 1
454 1 16 PRO HB3 1 17 THR H 3.150 . 4.500 4.336 4.175 4.427 . 0 0 "[ . 1 . 2]" 1
455 1 16 PRO HB3 1 18 VAL H 3.650 . 5.500 4.159 3.844 4.631 . 0 0 "[ . 1 . 2]" 1
456 1 16 PRO HD2 1 16 PRO HG2 2.650 . 2.800 2.328 2.298 2.345 . 0 0 "[ . 1 . 2]" 1
457 1 16 PRO HD2 1 16 PRO QG 2.300 . 2.800 2.253 2.226 2.268 . 0 0 "[ . 1 . 2]" 1
458 1 16 PRO HD2 1 16 PRO HG3 2.650 . 3.500 2.997 2.980 3.013 . 0 0 "[ . 1 . 2]" 1
459 1 16 PRO HD3 1 16 PRO HG2 2.650 . 2.800 2.654 2.625 2.681 . 0 0 "[ . 1 . 2]" 1
460 1 16 PRO HD3 1 16 PRO QG 2.300 . 2.800 2.177 2.159 2.204 . 0 0 "[ . 1 . 2]" 1
461 1 16 PRO HD3 1 16 PRO HG3 2.650 . 3.500 2.313 2.291 2.344 . 0 0 "[ . 1 . 2]" 1
462 1 16 PRO HG2 1 17 THR H 3.650 . 5.500 4.409 4.233 4.534 . 0 0 "[ . 1 . 2]" 1
463 1 17 THR H 1 17 THR HA 2.650 . 3.500 2.865 2.822 2.890 . 0 0 "[ . 1 . 2]" 1
464 1 17 THR H 1 18 VAL H 2.300 . 2.800 2.340 2.213 2.471 . 0 0 "[ . 1 . 2]" 1
465 1 17 THR H 1 18 VAL MG2 3.150 . 4.500 3.476 3.249 3.788 . 0 0 "[ . 1 . 2]" 1
466 1 17 THR HA 1 17 THR MG 2.650 . 3.500 2.239 2.198 2.291 . 0 0 "[ . 1 . 2]" 1
467 1 17 THR HA 1 18 VAL H 3.650 . 5.500 3.284 3.098 3.404 . 0 0 "[ . 1 . 2]" 1
468 1 17 THR HA 1 25 CYS HB2 4.150 . 6.500 5.562 5.206 5.987 . 0 0 "[ . 1 . 2]" 1
469 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.145 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
470 1 17 THR MG 1 18 VAL H 3.650 . 5.500 4.185 4.088 4.308 . 0 0 "[ . 1 . 2]" 1
471 1 18 VAL H 1 18 VAL HA 2.650 . 3.500 2.908 2.874 2.927 . 0 0 "[ . 1 . 2]" 1
472 1 18 VAL H 1 18 VAL HB 2.650 . 3.500 2.539 2.486 2.613 . 0 0 "[ . 1 . 2]" 1
473 1 18 VAL H 1 18 VAL MG2 2.650 . 3.500 2.342 2.135 2.570 . 0 0 "[ . 1 . 2]" 1
474 1 18 VAL H 1 19 CYS H 3.650 . 5.500 4.420 4.194 4.491 . 0 0 "[ . 1 . 2]" 1
475 1 18 VAL HA 1 18 VAL HB 2.650 . 3.500 3.037 3.024 3.046 . 0 0 "[ . 1 . 2]" 1
476 1 18 VAL HA 1 18 VAL QG 2.300 . 2.800 2.160 2.149 2.167 . 0 0 "[ . 1 . 2]" 1
477 1 18 VAL HA 1 19 CYS H 2.300 . 2.800 2.164 2.129 2.195 . 0 0 "[ . 1 . 2]" 1
478 1 18 VAL MG1 1 19 CYS H 2.650 . 3.500 2.646 2.453 3.023 . 0 0 "[ . 1 . 2]" 1
479 1 18 VAL MG1 1 19 CYS HA 3.650 . 5.500 4.013 3.945 4.126 . 0 0 "[ . 1 . 2]" 1
480 1 18 VAL MG1 1 19 CYS HB3 3.650 . 5.500 5.102 4.920 5.214 . 0 0 "[ . 1 . 2]" 1
481 1 19 CYS H 1 19 CYS HA 2.650 . 3.500 2.889 2.863 2.910 . 0 0 "[ . 1 . 2]" 1
482 1 19 CYS H 1 19 CYS HB2 2.650 . 3.500 2.421 2.364 2.455 . 0 0 "[ . 1 . 2]" 1
483 1 19 CYS H 1 19 CYS HB3 3.150 . 4.500 3.593 3.570 3.621 . 0 0 "[ . 1 . 2]" 1
484 1 19 CYS H 1 20 ALA H 3.650 . 5.500 4.515 4.475 4.569 . 0 0 "[ . 1 . 2]" 1
485 1 19 CYS H 1 25 CYS HB2 3.650 . 5.500 3.861 3.582 4.146 . 0 0 "[ . 1 . 2]" 1
486 1 19 CYS HA 1 19 CYS HB2 2.650 . 3.500 3.017 3.006 3.027 . 0 0 "[ . 1 . 2]" 1
487 1 19 CYS HA 1 19 CYS HB2 2.650 . 3.500 2.434 2.400 2.455 . 0 0 "[ . 1 . 2]" 1
488 1 19 CYS HA 1 19 CYS HB3 2.650 . 3.500 2.465 2.437 2.487 . 0 0 "[ . 1 . 2]" 1
489 1 19 CYS HA 1 20 ALA H 2.300 . 2.800 2.307 2.194 2.412 . 0 0 "[ . 1 . 2]" 1
490 1 19 CYS HA 1 25 CYS HB2 3.650 . 5.500 5.059 4.878 5.228 . 0 0 "[ . 1 . 2]" 1
491 1 19 CYS HA 1 35 CYS H 4.150 . 6.500 6.283 6.102 6.471 . 0 0 "[ . 1 . 2]" 1
492 1 19 CYS HA 1 35 CYS HB3 3.650 . 5.500 4.015 3.854 4.234 . 0 0 "[ . 1 . 2]" 1
493 1 19 CYS HB2 1 20 ALA H 3.150 . 4.500 3.504 3.346 3.670 . 0 0 "[ . 1 . 2]" 1
494 1 19 CYS HB2 1 24 THR H 3.650 . 5.500 5.003 4.690 5.345 . 0 0 "[ . 1 . 2]" 1
495 1 19 CYS HB2 1 24 THR HA 3.150 . 4.500 3.824 3.519 4.072 . 0 0 "[ . 1 . 2]" 1
496 1 19 CYS HB2 1 24 THR HB 4.150 . 6.500 3.669 3.227 4.146 . 0 0 "[ . 1 . 2]" 1
497 1 19 CYS HB2 1 25 CYS H 3.650 . 5.500 3.883 3.545 4.328 . 0 0 "[ . 1 . 2]" 1
498 1 19 CYS HB2 1 25 CYS HB2 3.650 . 5.500 3.831 3.598 4.094 . 0 0 "[ . 1 . 2]" 1
499 1 19 CYS HB2 1 35 CYS HB3 3.150 . 4.500 3.656 3.495 3.801 . 0 0 "[ . 1 . 2]" 1
500 1 19 CYS HB3 1 20 ALA H 3.150 . 4.500 2.537 2.297 2.832 . 0 0 "[ . 1 . 2]" 1
501 1 19 CYS HB3 1 20 ALA MB 3.650 . 5.500 3.893 3.685 4.086 . 0 0 "[ . 1 . 2]" 1
502 1 19 CYS HB3 1 23 THR MG 4.150 . 6.500 3.751 3.666 3.905 . 0 0 "[ . 1 . 2]" 1
503 1 19 CYS HB3 1 25 CYS HB3 3.650 . 4.500 3.651 3.547 3.772 . 0 0 "[ . 1 . 2]" 1
504 1 19 CYS HB3 1 26 GLN H 3.650 . 5.500 5.111 4.971 5.284 . 0 0 "[ . 1 . 2]" 1
505 1 19 CYS HB3 1 35 CYS HA 3.650 . 5.500 3.959 3.821 4.096 . 0 0 "[ . 1 . 2]" 1
506 1 19 CYS HB3 1 35 CYS HB2 3.150 . 4.500 3.679 3.571 3.809 . 0 0 "[ . 1 . 2]" 1
507 1 19 CYS HB3 1 35 CYS HB3 2.650 . 3.500 2.244 2.186 2.352 . 0 0 "[ . 1 . 2]" 1
508 1 20 ALA H 1 20 ALA HA 2.650 . 3.500 2.781 2.741 2.829 . 0 0 "[ . 1 . 2]" 1
509 1 20 ALA H 1 20 ALA MB 2.300 . 2.800 2.209 2.182 2.257 . 0 0 "[ . 1 . 2]" 1
510 1 20 ALA H 1 21 SER H 3.650 . 4.500 4.139 4.061 4.197 . 0 0 "[ . 1 . 2]" 1
511 1 20 ALA H 1 23 THR HB 3.150 . 4.500 3.663 3.578 3.743 . 0 0 "[ . 1 . 2]" 1
512 1 20 ALA H 1 35 CYS HB3 3.650 . 5.500 3.930 3.605 4.271 . 0 0 "[ . 1 . 2]" 1
513 1 20 ALA HA 1 20 ALA MB 2.300 . 2.800 2.133 2.125 2.143 . 0 0 "[ . 1 . 2]" 1
514 1 20 ALA HA 1 21 SER H 2.300 . 2.800 2.295 2.172 2.403 . 0 0 "[ . 1 . 2]" 1
515 1 20 ALA MB 1 21 SER H 2.300 . 2.800 2.610 2.313 2.820 0.020 10 0 "[ . 1 . 2]" 1
516 1 20 ALA MB 1 21 SER HA 3.150 . 4.500 4.440 4.344 4.515 0.015 1 0 "[ . 1 . 2]" 1
517 1 20 ALA MB 1 21 SER QB 3.150 . 4.500 4.051 3.808 4.528 0.028 3 0 "[ . 1 . 2]" 1
518 1 20 ALA MB 1 24 THR H 4.150 . 6.500 5.806 5.611 6.018 . 0 0 "[ . 1 . 2]" 1
519 1 21 SER H 1 21 SER HA 2.650 . 3.500 2.752 2.711 2.807 . 0 0 "[ . 1 . 2]" 1
520 1 21 SER H 1 21 SER QB 2.300 . 2.800 2.469 2.206 2.559 . 0 0 "[ . 1 . 2]" 1
521 1 21 SER HA 1 21 SER QB . . 2.800 2.320 2.170 2.369 . 0 0 "[ . 1 . 2]" 1
522 1 21 SER HA 1 22 GLY H 2.300 . 2.800 2.146 2.122 2.203 . 0 0 "[ . 1 . 2]" 1
523 1 21 SER HA 1 23 THR H 3.150 . 4.500 3.527 3.336 3.774 . 0 0 "[ . 1 . 2]" 1
524 1 21 SER QB 1 22 GLY H 3.150 . 4.500 3.420 3.156 3.884 . 0 0 "[ . 1 . 2]" 1
525 1 21 SER QB 1 23 THR H 3.650 . 5.500 4.768 4.634 4.975 . 0 0 "[ . 1 . 2]" 1
526 1 22 GLY H 1 22 GLY HA2 2.650 . 3.500 2.398 2.346 2.449 . 0 0 "[ . 1 . 2]" 1
527 1 22 GLY H 1 22 GLY HA3 2.650 . 3.500 2.931 2.912 2.945 . 0 0 "[ . 1 . 2]" 1
528 1 22 GLY H 1 23 THR H 2.650 . 3.500 2.377 2.126 2.606 . 0 0 "[ . 1 . 2]" 1
529 1 22 GLY HA2 1 23 THR H 2.650 . 3.500 3.359 3.244 3.463 . 0 0 "[ . 1 . 2]" 1
530 1 22 GLY HA3 1 23 THR H 2.650 . 3.500 3.191 2.988 3.347 . 0 0 "[ . 1 . 2]" 1
531 1 22 GLY HA3 1 23 THR MG 3.650 . 4.500 3.601 3.468 3.757 . 0 0 "[ . 1 . 2]" 1
532 1 23 THR H 1 23 THR HA 2.650 . 3.500 2.927 2.908 2.939 . 0 0 "[ . 1 . 2]" 1
533 1 23 THR H 1 23 THR MG 3.150 . 4.500 2.719 2.411 2.982 . 0 0 "[ . 1 . 2]" 1
534 1 23 THR H 1 24 THR H 3.650 . 5.500 4.472 4.396 4.554 . 0 0 "[ . 1 . 2]" 1
535 1 23 THR HA 1 23 THR HB 2.650 . 3.500 2.479 2.452 2.506 . 0 0 "[ . 1 . 2]" 1
536 1 23 THR HA 1 23 THR MG 2.650 . 3.500 2.381 2.324 2.418 . 0 0 "[ . 1 . 2]" 1
537 1 23 THR HA 1 24 THR H 2.650 . 3.500 2.274 2.178 2.471 . 0 0 "[ . 1 . 2]" 1
538 1 23 THR HA 1 24 THR MG 3.650 . 5.500 3.590 3.445 3.742 . 0 0 "[ . 1 . 2]" 1
539 1 23 THR HA 1 25 CYS H 4.150 . 6.500 6.174 6.028 6.429 . 0 0 "[ . 1 . 2]" 1
540 1 23 THR HA 1 36 LEU H 3.650 . 5.500 4.686 4.392 4.960 . 0 0 "[ . 1 . 2]" 1
541 1 23 THR HB 1 23 THR MG 2.300 . 2.800 2.129 2.122 2.134 . 0 0 "[ . 1 . 2]" 1
542 1 23 THR HB 1 24 THR H 2.650 . 3.500 2.792 2.403 3.070 . 0 0 "[ . 1 . 2]" 1
543 1 23 THR HB 1 35 CYS HA 3.150 . 4.500 3.720 3.495 4.006 . 0 0 "[ . 1 . 2]" 1
544 1 23 THR HB 1 35 CYS HB2 3.150 . 4.500 3.773 3.558 4.022 . 0 0 "[ . 1 . 2]" 1
545 1 23 THR HB 1 35 CYS HB3 2.650 . 3.500 2.497 2.249 2.830 . 0 0 "[ . 1 . 2]" 1
546 1 23 THR HB 1 36 LEU H 3.150 . 4.500 3.520 3.387 3.675 . 0 0 "[ . 1 . 2]" 1
547 1 23 THR MG 1 24 THR H 3.150 . 4.500 3.823 3.671 3.942 . 0 0 "[ . 1 . 2]" 1
548 1 23 THR MG 1 35 CYS HB3 3.150 . 4.500 3.538 3.364 3.885 . 0 0 "[ . 1 . 2]" 1
549 1 23 THR MG 1 36 LEU HA 3.650 . 4.500 3.956 3.754 4.202 . 0 0 "[ . 1 . 2]" 1
550 1 24 THR H 1 24 THR HA 2.650 . 3.500 2.927 2.910 2.943 . 0 0 "[ . 1 . 2]" 1
551 1 24 THR H 1 24 THR HB 3.150 . 4.500 3.670 3.628 3.719 . 0 0 "[ . 1 . 2]" 1
552 1 24 THR H 1 24 THR MG 3.150 . 4.500 2.844 2.695 3.140 . 0 0 "[ . 1 . 2]" 1
553 1 24 THR H 1 25 CYS H 3.650 . 5.500 4.456 4.383 4.494 . 0 0 "[ . 1 . 2]" 1
554 1 24 THR H 1 26 GLN HE21 3.650 . 5.500 3.885 3.585 4.146 . 0 0 "[ . 1 . 2]" 1
555 1 24 THR H 1 26 GLN HE22 3.650 . 5.500 5.101 4.528 5.306 . 0 0 "[ . 1 . 2]" 1
556 1 24 THR H 1 35 CYS HA 3.150 . 4.500 4.047 3.823 4.248 . 0 0 "[ . 1 . 2]" 1
557 1 24 THR H 1 35 CYS HB3 3.650 . 5.500 4.382 4.049 4.595 . 0 0 "[ . 1 . 2]" 1
558 1 24 THR H 1 36 LEU H 2.650 . 3.500 2.943 2.773 3.109 . 0 0 "[ . 1 . 2]" 1
559 1 24 THR H 1 36 LEU HA 3.650 . 5.500 4.300 4.201 4.380 . 0 0 "[ . 1 . 2]" 1
560 1 24 THR H 1 36 LEU QB 3.650 . 5.500 3.819 3.610 4.050 . 0 0 "[ . 1 . 2]" 1
561 1 24 THR HA 1 24 THR HB 2.650 . 3.500 2.525 2.483 2.561 . 0 0 "[ . 1 . 2]" 1
562 1 24 THR HA 1 24 THR MG 2.650 . 3.500 2.273 2.223 2.325 . 0 0 "[ . 1 . 2]" 1
563 1 24 THR HA 1 25 CYS H 2.300 . 2.800 2.200 2.157 2.270 . 0 0 "[ . 1 . 2]" 1
564 1 24 THR HA 1 35 CYS HB3 3.150 . 4.500 4.171 4.029 4.282 . 0 0 "[ . 1 . 2]" 1
565 1 24 THR HA 1 25 CYS HB3 3.650 . 5.500 4.661 4.601 4.710 . 0 0 "[ . 1 . 2]" 1
566 1 24 THR HA 1 25 CYS HB3 3.150 . 4.500 4.190 4.140 4.232 . 0 0 "[ . 1 . 2]" 1
567 1 24 THR HA 1 26 GLN HE21 3.650 . 5.500 4.545 4.245 4.683 . 0 0 "[ . 1 . 2]" 1
568 1 24 THR HA 1 35 CYS HA 3.650 . 5.500 4.028 3.984 4.050 . 0 0 "[ . 1 . 2]" 1
569 1 24 THR HB 1 24 THR MG 2.300 . 2.800 2.130 2.118 2.139 . 0 0 "[ . 1 . 2]" 1
570 1 24 THR HB 1 25 CYS H 2.650 . 3.500 3.087 2.849 3.223 . 0 0 "[ . 1 . 2]" 1
571 1 24 THR HB 1 26 GLN HE21 3.650 . 5.500 3.367 3.073 4.034 . 0 0 "[ . 1 . 2]" 1
572 1 24 THR HB 1 26 GLN HE22 4.150 . 6.500 4.984 4.730 5.328 . 0 0 "[ . 1 . 2]" 1
573 1 24 THR HB 1 26 GLN HG3 3.650 . 5.500 3.166 2.908 3.492 . 0 0 "[ . 1 . 2]" 1
574 1 24 THR MG 1 25 CYS H 3.150 . 4.500 3.749 3.651 3.818 . 0 0 "[ . 1 . 2]" 1
575 1 24 THR MG 1 25 CYS HA 3.650 . 5.500 5.540 5.512 5.551 0.051 11 0 "[ . 1 . 2]" 1
576 1 24 THR MG 1 25 CYS HA 3.650 . 5.500 5.144 5.053 5.183 . 0 0 "[ . 1 . 2]" 1
577 1 24 THR MG 1 26 GLN H 3.650 . 5.500 4.737 4.625 4.934 . 0 0 "[ . 1 . 2]" 1
578 1 24 THR MG 1 26 GLN HE21 3.650 . 5.500 3.801 3.547 4.598 . 0 0 "[ . 1 . 2]" 1
579 1 24 THR MG 1 36 LEU H 3.650 . 5.500 4.960 4.831 5.197 . 0 0 "[ . 1 . 2]" 1
580 1 25 CYS H 1 25 CYS HB2 2.650 . 3.500 2.773 2.702 2.875 . 0 0 "[ . 1 . 2]" 1
581 1 25 CYS H 1 25 CYS HB3 2.300 . 2.800 2.479 2.437 2.501 . 0 0 "[ . 1 . 2]" 1
582 1 25 CYS H 1 26 GLN H 3.150 . 4.500 4.274 4.215 4.358 . 0 0 "[ . 1 . 2]" 1
583 1 25 CYS H 1 26 GLN H 3.150 . 4.500 4.018 3.985 4.075 . 0 0 "[ . 1 . 2]" 1
584 1 25 CYS H 1 35 CYS HA 3.650 . 5.500 4.313 4.156 4.460 . 0 0 "[ . 1 . 2]" 1
585 1 25 CYS HA 1 25 CYS HB2 2.650 . 3.500 2.452 2.428 2.469 . 0 0 "[ . 1 . 2]" 1
586 1 25 CYS HA 1 25 CYS HB3 2.650 . 3.500 3.033 3.024 3.042 . 0 0 "[ . 1 . 2]" 1
587 1 25 CYS HA 1 26 GLN H 2.300 . 2.800 2.093 2.077 2.108 . 0 0 "[ . 1 . 2]" 1
588 1 25 CYS HA 1 36 LEU MD2 2.650 . 3.500 3.318 3.267 3.375 . 0 0 "[ . 1 . 2]" 1
589 1 25 CYS HA 1 26 GLN HB2 2.650 . 3.500 2.974 2.952 2.985 . 0 0 "[ . 1 . 2]" 1
590 1 25 CYS HA 1 26 GLN HE21 3.650 . 5.500 4.551 4.079 4.643 . 0 0 "[ . 1 . 2]" 1
591 1 25 CYS HA 1 33 SER HB3 3.650 . 5.500 4.142 3.972 4.284 . 0 0 "[ . 1 . 2]" 1
592 1 25 CYS HA 1 26 GLN HG3 3.650 . 5.500 3.898 3.798 4.081 . 0 0 "[ . 1 . 2]" 1
593 1 25 CYS HA 1 36 LEU QB 3.650 . 5.500 5.050 4.936 5.100 . 0 0 "[ . 1 . 2]" 1
594 1 25 CYS HA 1 35 CYS HA 3.150 . 3.500 2.382 2.255 2.481 . 0 0 "[ . 1 . 2]" 1
595 1 25 CYS HA 1 35 CYS HB3 3.650 . 5.500 4.368 4.201 4.496 . 0 0 "[ . 1 . 2]" 1
596 1 25 CYS HB2 1 26 GLN H 3.150 . 4.500 4.326 4.255 4.384 . 0 0 "[ . 1 . 2]" 1
597 1 25 CYS HB2 1 26 GLN H 3.150 . 4.500 4.208 4.134 4.256 . 0 0 "[ . 1 . 2]" 1
598 1 25 CYS HB3 1 26 GLN H 3.650 . 4.500 4.336 4.265 4.376 . 0 0 "[ . 1 . 2]" 1
599 1 26 GLN H 1 26 GLN HB2 2.650 . 2.800 2.500 2.427 2.573 . 0 0 "[ . 1 . 2]" 1
600 1 26 GLN H 1 26 GLN HB3 3.150 . 4.500 3.674 3.626 3.720 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLN H 1 26 GLN HB3 2.650 . 3.500 3.320 3.288 3.343 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLN H 1 26 GLN HG2 3.150 . 4.500 3.917 3.817 4.251 . 0 0 "[ . 1 . 2]" 1
603 1 26 GLN H 1 26 GLN HG2 3.150 . 4.500 3.811 3.719 4.129 . 0 0 "[ . 1 . 2]" 1
604 1 26 GLN H 1 26 GLN HG3 3.150 . 4.500 2.768 2.683 3.098 . 0 0 "[ . 1 . 2]" 1
605 1 26 GLN H 1 26 GLN HG3 3.150 . 4.500 2.666 2.576 3.003 . 0 0 "[ . 1 . 2]" 1
606 1 26 GLN H 1 27 VAL H 3.650 . 5.500 4.084 4.037 4.136 . 0 0 "[ . 1 . 2]" 1
607 1 26 GLN H 1 27 VAL H 2.650 . 3.500 3.365 3.229 3.506 0.006 11 0 "[ . 1 . 2]" 1
608 1 26 GLN H 1 33 SER HB2 3.150 . 4.500 3.817 3.655 3.909 . 0 0 "[ . 1 . 2]" 1
609 1 26 GLN H 1 35 CYS H 3.150 . 4.500 3.681 3.663 3.694 . 0 0 "[ . 1 . 2]" 1
610 1 26 GLN H 1 36 LEU MD2 3.150 . 4.500 2.378 2.301 2.473 . 0 0 "[ . 1 . 2]" 1
611 1 26 GLN H 1 36 LEU HG 3.150 . 4.500 4.306 4.248 4.391 . 0 0 "[ . 1 . 2]" 1
612 1 26 GLN HA 1 26 GLN HB2 2.650 . 3.500 3.018 3.003 3.026 . 0 0 "[ . 1 . 2]" 1
613 1 26 GLN HA 1 26 GLN HB3 2.650 . 3.500 2.480 2.453 2.560 . 0 0 "[ . 1 . 2]" 1
614 1 26 GLN HA 1 26 GLN HG3 3.150 . 4.500 2.997 2.689 3.143 . 0 0 "[ . 1 . 2]" 1
615 1 26 GLN HA 1 27 VAL H 2.300 . 2.800 2.102 2.069 2.128 . 0 0 "[ . 1 . 2]" 1
616 1 26 GLN HA 1 27 VAL MG2 2.650 . 3.500 3.466 3.402 3.517 0.017 11 0 "[ . 1 . 2]" 1
617 1 26 GLN HA 1 36 LEU QB 3.650 . 5.500 5.300 5.195 5.396 . 0 0 "[ . 1 . 2]" 1
618 1 26 GLN HB2 1 26 GLN HE21 3.650 . 5.500 3.946 2.921 4.098 . 0 0 "[ . 1 . 2]" 1
619 1 26 GLN HB2 1 26 GLN HE21 3.650 . 5.500 3.413 2.815 3.937 . 0 0 "[ . 1 . 2]" 1
620 1 26 GLN HB2 1 36 LEU HG 3.150 . 4.500 4.012 3.933 4.187 . 0 0 "[ . 1 . 2]" 1
621 1 26 GLN HB3 1 26 GLN HE22 3.650 . 5.500 4.273 4.094 4.433 . 0 0 "[ . 1 . 2]" 1
622 1 26 GLN HB3 1 26 GLN HG2 2.300 . 2.800 2.108 2.082 2.122 . 0 0 "[ . 1 . 2]" 1
623 1 26 GLN HB3 1 26 GLN HG3 2.650 . 3.500 3.010 2.998 3.017 . 0 0 "[ . 1 . 2]" 1
624 1 26 GLN HB3 1 34 GLN H 3.150 . 4.500 3.785 3.729 3.847 . 0 0 "[ . 1 . 2]" 1
625 1 26 GLN HB3 1 36 LEU HG 3.150 . 4.500 4.501 4.430 4.513 0.013 3 0 "[ . 1 . 2]" 1
626 1 26 GLN HE21 1 26 GLN HG2 2.650 . 3.500 2.932 2.859 3.420 . 0 0 "[ . 1 . 2]" 1
627 1 26 GLN HE21 1 26 GLN HG3 3.150 . 4.500 2.213 2.148 2.244 . 0 0 "[ . 1 . 2]" 1
628 1 26 GLN HE21 1 36 LEU H 3.650 . 5.500 3.631 2.694 3.857 . 0 0 "[ . 1 . 2]" 1
629 1 26 GLN HE21 1 36 LEU QB 3.650 . 5.500 2.431 1.896 2.640 . 0 0 "[ . 1 . 2]" 1
630 1 26 GLN HE21 1 36 LEU MD2 3.650 . 5.500 3.432 2.471 3.674 . 0 0 "[ . 1 . 2]" 1
631 1 26 GLN HE22 1 26 GLN HG2 3.650 . 5.500 3.588 3.505 3.785 . 0 0 "[ . 1 . 2]" 1
632 1 26 GLN HE22 1 26 GLN HG3 3.650 . 5.500 3.466 3.437 3.486 . 0 0 "[ . 1 . 2]" 1
633 1 26 GLN HE22 1 36 LEU H 3.650 . 5.500 3.926 3.571 4.007 . 0 0 "[ . 1 . 2]" 1
634 1 26 GLN HE22 1 36 LEU QB 3.650 . 5.500 2.357 1.904 2.579 . 0 0 "[ . 1 . 2]" 1
635 1 26 GLN HG2 1 28 LEU MD2 3.150 . 4.500 3.829 3.673 4.265 . 0 0 "[ . 1 . 2]" 1
636 1 26 GLN HG3 1 27 VAL H 3.650 . 5.500 5.037 4.735 5.145 . 0 0 "[ . 1 . 2]" 1
637 1 26 GLN HG3 1 36 LEU H 3.650 . 5.500 3.494 3.313 4.036 . 0 0 "[ . 1 . 2]" 1
638 1 26 GLN HG3 1 36 LEU QB 3.150 . 4.500 3.421 3.246 4.065 . 0 0 "[ . 1 . 2]" 1
639 1 26 GLN HG3 1 36 LEU MD2 3.150 . 4.500 3.105 2.890 3.820 . 0 0 "[ . 1 . 2]" 1
640 1 27 VAL H 1 27 VAL HA 2.300 . 2.800 2.049 2.025 2.081 . 0 0 "[ . 1 . 2]" 1
641 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.276 2.216 2.322 . 0 0 "[ . 1 . 2]" 1
642 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.043 1.965 2.148 . 0 0 "[ . 1 . 2]" 1
643 1 27 VAL H 1 27 VAL MG1 2.650 . 3.500 3.092 3.016 3.138 . 0 0 "[ . 1 . 2]" 1
644 1 27 VAL H 1 27 VAL MG1 2.650 . 3.500 2.846 2.757 2.941 . 0 0 "[ . 1 . 2]" 1
645 1 27 VAL H 1 27 VAL MG2 2.300 . 2.800 2.146 2.095 2.209 . 0 0 "[ . 1 . 2]" 1
646 1 27 VAL H 1 34 GLN H 3.150 . 4.500 3.457 3.304 3.629 . 0 0 "[ . 1 . 2]" 1
647 1 27 VAL HA 1 27 VAL HB 2.650 . 3.500 3.061 3.052 3.068 . 0 0 "[ . 1 . 2]" 1
648 1 27 VAL HA 1 27 VAL MG1 2.650 . 3.500 2.405 2.364 2.439 . 0 0 "[ . 1 . 2]" 1
649 1 27 VAL HA 1 27 VAL MG2 2.300 . 2.800 2.477 2.428 2.509 . 0 0 "[ . 1 . 2]" 1
650 1 27 VAL HA 1 28 LEU H 2.300 . 2.800 2.099 2.070 2.136 . 0 0 "[ . 1 . 2]" 1
651 1 27 VAL HA 1 33 SER HA 2.650 . 2.800 2.121 2.028 2.339 . 0 0 "[ . 1 . 2]" 1
652 1 27 VAL HA 1 33 SER HB2 3.150 . 4.500 3.695 3.550 3.757 . 0 0 "[ . 1 . 2]" 1
653 1 27 VAL HA 1 33 SER HB3 2.650 . 2.800 2.416 2.209 2.520 . 0 0 "[ . 1 . 2]" 1
654 1 27 VAL HA 1 34 GLN H 3.150 . 4.500 3.607 3.422 3.751 . 0 0 "[ . 1 . 2]" 1
655 1 27 VAL HB 1 27 VAL MG1 2.300 . 2.800 2.087 2.072 2.102 . 0 0 "[ . 1 . 2]" 1
656 1 27 VAL HB 1 27 VAL MG2 2.300 . 2.800 2.126 2.120 2.133 . 0 0 "[ . 1 . 2]" 1
657 1 27 VAL HB 1 33 SER HB2 3.650 . 5.500 4.841 4.688 4.976 . 0 0 "[ . 1 . 2]" 1
658 1 27 VAL HB 1 33 SER HA 3.150 . 4.500 3.664 3.493 3.822 . 0 0 "[ . 1 . 2]" 1
659 1 27 VAL HB 1 30 PRO HA 3.150 . 4.500 3.850 3.790 3.884 . 0 0 "[ . 1 . 2]" 1
660 1 27 VAL MG1 1 28 LEU H 2.650 . 3.500 2.944 2.836 3.067 . 0 0 "[ . 1 . 2]" 1
661 1 27 VAL MG1 1 28 LEU HA 3.650 . 5.500 4.442 4.324 4.507 . 0 0 "[ . 1 . 2]" 1
662 1 27 VAL MG1 1 29 ASN H 3.150 . 4.500 3.342 3.086 3.582 . 0 0 "[ . 1 . 2]" 1
663 1 27 VAL MG1 1 29 ASN HA 3.150 . 4.500 4.172 4.036 4.353 . 0 0 "[ . 1 . 2]" 1
664 1 27 VAL MG1 1 29 ASN QB 3.650 . 5.500 4.440 4.339 4.522 . 0 0 "[ . 1 . 2]" 1
665 1 27 VAL MG1 1 30 PRO HA 3.650 . 4.500 2.685 2.479 2.839 . 0 0 "[ . 1 . 2]" 1
666 1 27 VAL MG1 1 30 PRO HD2 3.650 . 5.500 5.244 5.042 5.378 . 0 0 "[ . 1 . 2]" 1
667 1 27 VAL MG1 1 33 SER HA 3.650 . 5.500 3.675 3.475 3.802 . 0 0 "[ . 1 . 2]" 1
668 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.624 3.549 3.704 . 0 0 "[ . 1 . 2]" 1
669 1 27 VAL MG2 1 33 SER HB2 3.650 . 5.500 3.469 3.381 3.585 . 0 0 "[ . 1 . 2]" 1
670 1 27 VAL MG2 1 33 SER HB3 3.150 . 4.500 2.532 2.390 2.705 . 0 0 "[ . 1 . 2]" 1
671 1 28 LEU H 1 28 LEU HB3 2.650 . 3.500 2.264 2.177 2.344 . 0 0 "[ . 1 . 2]" 1
672 1 28 LEU H 1 28 LEU HG 2.300 . 2.800 2.288 2.195 2.375 . 0 0 "[ . 1 . 2]" 1
673 1 28 LEU H 1 28 LEU MD1 3.650 . 5.500 3.676 3.565 3.789 . 0 0 "[ . 1 . 2]" 1
674 1 28 LEU H 1 28 LEU MD1 3.650 . 5.500 3.467 3.373 3.544 . 0 0 "[ . 1 . 2]" 1
675 1 28 LEU H 1 28 LEU HG 2.650 . 3.500 2.320 2.210 2.419 . 0 0 "[ . 1 . 2]" 1
676 1 28 LEU H 1 32 TYR QD 3.650 . 5.500 3.399 3.242 3.579 . 0 0 "[ . 1 . 2]" 1
677 1 28 LEU H 1 29 ASN HA 3.150 . 4.500 4.089 3.975 4.192 . 0 0 "[ . 1 . 2]" 1
678 1 28 LEU H 1 32 TYR HB3 3.650 . 5.500 4.033 3.923 4.154 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU H 1 33 SER HA 2.300 . 2.800 2.066 1.996 2.147 . 0 0 "[ . 1 . 2]" 1
680 1 28 LEU HA 1 28 LEU MD1 3.650 . 4.500 3.883 3.863 3.907 . 0 0 "[ . 1 . 2]" 1
681 1 28 LEU HA 1 28 LEU MD2 2.650 . 3.500 2.133 2.066 2.202 . 0 0 "[ . 1 . 2]" 1
682 1 28 LEU HA 1 29 ASN H 3.150 . 4.500 3.470 3.425 3.494 . 0 0 "[ . 1 . 2]" 1
683 1 28 LEU HA 1 29 ASN QB 3.650 . 5.500 5.401 5.302 5.512 0.012 10 0 "[ . 1 . 2]" 1
684 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.341 2.296 2.389 . 0 0 "[ . 1 . 2]" 1
685 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.149 2.042 2.234 . 0 0 "[ . 1 . 2]" 1
686 1 28 LEU HB2 1 29 ASN H 2.650 . 3.500 2.326 2.159 2.572 . 0 0 "[ . 1 . 2]" 1
687 1 28 LEU HB2 1 29 ASN HA 3.150 . 4.500 4.166 4.068 4.228 . 0 0 "[ . 1 . 2]" 1
688 1 28 LEU HB2 1 29 ASN QB 3.650 . 4.500 3.597 3.516 3.739 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU HB2 1 29 ASN HD21 3.650 . 5.500 3.481 2.191 4.856 . 0 0 "[ . 1 . 2]" 1
690 1 28 LEU HB2 1 32 TYR HB3 3.650 . 4.500 3.380 3.151 3.546 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU HB2 1 32 TYR QD 2.650 . 3.500 2.322 2.131 2.486 . 0 0 "[ . 1 . 2]" 1
692 1 28 LEU HB2 1 32 TYR QE 3.150 . 4.500 3.489 3.310 3.732 . 0 0 "[ . 1 . 2]" 1
693 1 28 LEU HB3 1 29 ASN H 3.150 . 3.500 3.291 3.169 3.440 . 0 0 "[ . 1 . 2]" 1
694 1 28 LEU HB3 1 32 TYR HB3 3.650 . 5.500 4.464 4.265 4.589 . 0 0 "[ . 1 . 2]" 1
695 1 28 LEU HB3 1 32 TYR QD 2.650 . 3.500 3.210 3.140 3.283 . 0 0 "[ . 1 . 2]" 1
696 1 28 LEU HB3 1 32 TYR QE 3.650 . 5.500 3.950 3.749 4.264 . 0 0 "[ . 1 . 2]" 1
697 1 28 LEU HB3 1 29 ASN QB 3.650 . 5.500 4.807 4.678 5.046 . 0 0 "[ . 1 . 2]" 1
698 1 28 LEU HB3 1 29 ASN HD21 3.650 . 5.500 4.377 2.710 5.516 0.016 13 0 "[ . 1 . 2]" 1
699 1 28 LEU MD1 1 29 ASN H 3.650 . 5.500 4.251 4.109 4.428 . 0 0 "[ . 1 . 2]" 1
700 1 28 LEU MD1 1 29 ASN HD22 3.650 . 5.500 4.460 3.581 5.500 . 0 0 "[ . 1 . 2]" 1
701 1 28 LEU MD1 1 32 TYR QD 2.650 . 3.500 2.164 1.983 2.368 . 0 0 "[ . 1 . 2]" 1
702 1 28 LEU MD1 1 32 TYR QE 2.650 . 3.500 2.019 1.901 2.318 . 0 0 "[ . 1 . 2]" 1
703 1 28 LEU MD1 1 33 SER HA 3.650 . 5.500 3.977 3.705 4.178 . 0 0 "[ . 1 . 2]" 1
704 1 28 LEU MD1 1 34 GLN H 3.650 . 5.500 3.624 3.301 3.936 . 0 0 "[ . 1 . 2]" 1
705 1 28 LEU MD1 1 34 GLN H 3.150 . 4.500 3.208 3.034 3.350 . 0 0 "[ . 1 . 2]" 1
706 1 28 LEU MD1 1 34 GLN HE22 3.650 . 5.500 3.578 3.371 3.835 . 0 0 "[ . 1 . 2]" 1
707 1 28 LEU MD1 1 34 GLN HG2 3.150 . 4.500 4.337 4.131 4.519 0.019 13 0 "[ . 1 . 2]" 1
708 1 28 LEU MD2 1 29 ASN H 3.650 . 5.500 4.466 4.403 4.522 . 0 0 "[ . 1 . 2]" 1
709 1 28 LEU MD2 1 32 TYR QD 3.150 . 4.500 4.520 4.510 4.531 0.031 18 0 "[ . 1 . 2]" 1
710 1 28 LEU MD2 1 32 TYR QE 3.150 . 4.500 4.230 4.077 4.395 . 0 0 "[ . 1 . 2]" 1
711 1 28 LEU MD2 1 34 GLN HE22 3.650 . 5.500 4.744 4.517 4.908 . 0 0 "[ . 1 . 2]" 1
712 1 28 LEU HG 1 34 GLN H 3.650 . 5.500 2.847 2.638 3.117 . 0 0 "[ . 1 . 2]" 1
713 1 29 ASN H 1 29 ASN HA 2.650 . 3.500 2.936 2.917 2.957 . 0 0 "[ . 1 . 2]" 1
714 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.574 2.481 2.669 . 0 0 "[ . 1 . 2]" 1
715 1 29 ASN H 1 29 ASN QB 2.650 . 3.500 2.359 2.226 2.446 . 0 0 "[ . 1 . 2]" 1
716 1 29 ASN H 1 32 TYR HB3 3.150 . 4.500 3.096 2.709 3.500 . 0 0 "[ . 1 . 2]" 1
717 1 29 ASN HA 1 29 ASN QB 2.300 . 2.800 2.378 2.344 2.420 . 0 0 "[ . 1 . 2]" 1
718 1 29 ASN HA 1 29 ASN HD21 3.650 . 5.500 4.211 2.979 4.590 . 0 0 "[ . 1 . 2]" 1
719 1 29 ASN HA 1 30 PRO HD2 2.650 . 3.500 3.292 3.131 3.424 . 0 0 "[ . 1 . 2]" 1
720 1 29 ASN HA 1 30 PRO HD3 2.650 . 3.500 2.268 2.180 2.330 . 0 0 "[ . 1 . 2]" 1
721 1 29 ASN HA 1 30 PRO HG3 3.650 . 5.500 4.253 4.170 4.340 . 0 0 "[ . 1 . 2]" 1
722 1 29 ASN HA 1 32 TYR H 3.650 . 5.500 4.398 4.215 4.584 . 0 0 "[ . 1 . 2]" 1
723 1 29 ASN QB 1 29 ASN HD21 2.300 . 2.800 2.195 2.126 2.767 . 0 0 "[ . 1 . 2]" 1
724 1 29 ASN QB 1 29 ASN HD22 2.650 . 3.500 3.242 3.185 3.456 . 0 0 "[ . 1 . 2]" 1
725 1 29 ASN QB 1 29 ASN HD22 3.650 . 5.500 3.049 2.904 3.176 . 0 0 "[ . 1 . 2]" 1
726 1 29 ASN QB 1 30 PRO HB2 3.650 . 5.500 4.607 4.479 4.752 . 0 0 "[ . 1 . 2]" 1
727 1 29 ASN QB 1 30 PRO HD2 2.300 . 2.800 2.206 2.118 2.304 . 0 0 "[ . 1 . 2]" 1
728 1 29 ASN QB 1 30 PRO HD3 2.300 . 2.800 2.702 2.515 2.808 0.008 2 0 "[ . 1 . 2]" 1
729 1 29 ASN QB 1 30 PRO HG3 3.650 . 5.500 4.611 4.505 4.680 . 0 0 "[ . 1 . 2]" 1
730 1 29 ASN QB 1 31 TYR H 3.150 . 4.500 2.747 2.516 2.869 . 0 0 "[ . 1 . 2]" 1
731 1 29 ASN QB 1 31 TYR QD 3.150 . 4.500 3.731 3.341 3.979 . 0 0 "[ . 1 . 2]" 1
732 1 29 ASN QB 1 32 TYR H 3.650 . 5.500 2.042 1.795 2.162 0.005 10 0 "[ . 1 . 2]" 1
733 1 29 ASN QB 1 32 TYR HB3 3.650 . 5.500 2.057 1.944 2.214 . 0 0 "[ . 1 . 2]" 1
734 1 29 ASN HD21 1 30 PRO HD2 3.650 . 5.500 5.264 4.903 5.546 0.046 20 0 "[ . 1 . 2]" 1
735 1 29 ASN HD21 1 30 PRO HD3 4.150 . 6.500 5.589 5.084 5.766 . 0 0 "[ . 1 . 2]" 1
736 1 29 ASN HD21 1 32 TYR HB2 3.650 . 5.500 3.159 2.594 4.336 . 0 0 "[ . 1 . 2]" 1
737 1 29 ASN HD21 1 32 TYR HB3 3.650 . 5.500 2.099 1.761 2.813 0.039 12 0 "[ . 1 . 2]" 1
738 1 29 ASN HD22 1 30 PRO HD3 3.150 . 4.500 4.413 4.289 4.453 . 0 0 "[ . 1 . 2]" 1
739 1 29 ASN HD22 1 32 TYR HB2 3.150 . 4.500 4.470 4.139 4.552 0.052 10 0 "[ . 1 . 2]" 1
740 1 29 ASN HD22 1 32 TYR HB3 3.150 . 4.500 3.445 3.187 3.792 . 0 0 "[ . 1 . 2]" 1
741 1 30 PRO HA 1 30 PRO HB3 2.300 . 2.800 2.278 2.262 2.296 . 0 0 "[ . 1 . 2]" 1
742 1 30 PRO HA 1 30 PRO HG2 3.150 . 4.500 3.980 3.946 4.007 . 0 0 "[ . 1 . 2]" 1
743 1 30 PRO HA 1 32 TYR H 3.650 . 5.500 4.597 4.502 4.717 . 0 0 "[ . 1 . 2]" 1
744 1 30 PRO HB2 1 30 PRO HD3 3.150 . 4.500 3.916 3.881 3.963 . 0 0 "[ . 1 . 2]" 1
745 1 30 PRO HB2 1 30 PRO HG3 2.650 . 3.500 3.006 2.986 3.020 . 0 0 "[ . 1 . 2]" 1
746 1 30 PRO HB2 1 31 TYR H 3.150 . 4.500 2.845 2.777 2.992 . 0 0 "[ . 1 . 2]" 1
747 1 30 PRO HB2 1 31 TYR QD 3.650 . 5.500 2.933 2.602 3.505 . 0 0 "[ . 1 . 2]" 1
748 1 30 PRO HB3 1 30 PRO HD2 3.150 . 4.500 3.906 3.860 3.973 . 0 0 "[ . 1 . 2]" 1
749 1 30 PRO HD2 1 30 PRO HG2 2.650 . 2.800 2.309 2.286 2.339 . 0 0 "[ . 1 . 2]" 1
750 1 30 PRO HD2 1 30 PRO HG3 2.650 . 3.500 2.986 2.969 3.001 . 0 0 "[ . 1 . 2]" 1
751 1 30 PRO HD2 1 31 TYR H 3.650 . 4.500 2.568 2.410 2.685 . 0 0 "[ . 1 . 2]" 1
752 1 30 PRO HD2 1 31 TYR QD 3.650 . 5.500 2.807 2.682 2.883 . 0 0 "[ . 1 . 2]" 1
753 1 30 PRO HD2 1 31 TYR QE 3.650 . 5.500 3.945 3.642 4.223 . 0 0 "[ . 1 . 2]" 1
754 1 30 PRO HD3 1 30 PRO HG2 2.650 . 3.500 2.698 2.673 2.735 . 0 0 "[ . 1 . 2]" 1
755 1 30 PRO HD3 1 30 PRO HG3 2.650 . 3.500 2.322 2.295 2.344 . 0 0 "[ . 1 . 2]" 1
756 1 30 PRO HD3 1 31 TYR H 3.150 . 4.500 3.842 3.697 3.939 . 0 0 "[ . 1 . 2]" 1
757 1 30 PRO HD3 1 31 TYR QD 3.150 . 4.500 4.526 4.394 4.568 0.068 19 0 "[ . 1 . 2]" 1
758 1 30 PRO HD3 1 31 TYR QE 3.650 . 5.500 5.318 5.062 5.513 0.013 10 0 "[ . 1 . 2]" 1
759 1 30 PRO HG3 1 31 TYR QD 3.650 . 5.500 4.911 4.653 5.222 . 0 0 "[ . 1 . 2]" 1
760 1 31 TYR H 1 31 TYR HB2 2.650 . 3.500 2.603 2.498 2.689 . 0 0 "[ . 1 . 2]" 1
761 1 31 TYR H 1 31 TYR HB3 3.150 . 4.500 3.694 3.661 3.723 . 0 0 "[ . 1 . 2]" 1
762 1 31 TYR H 1 31 TYR QE 3.650 . 5.500 4.393 4.245 4.512 . 0 0 "[ . 1 . 2]" 1
763 1 31 TYR H 1 32 TYR H 2.300 . 2.800 2.078 2.017 2.137 . 0 0 "[ . 1 . 2]" 1
764 1 31 TYR HA 1 31 TYR HB2 2.650 . 3.500 3.027 3.012 3.040 . 0 0 "[ . 1 . 2]" 1
765 1 31 TYR HA 1 31 TYR HB3 2.650 . 3.500 2.418 2.376 2.487 . 0 0 "[ . 1 . 2]" 1
766 1 31 TYR HA 1 31 TYR QD 2.650 . 3.500 3.009 2.770 3.151 . 0 0 "[ . 1 . 2]" 1
767 1 31 TYR HA 1 31 TYR QE 3.650 . 5.500 4.757 4.665 4.845 . 0 0 "[ . 1 . 2]" 1
768 1 31 TYR HA 1 32 TYR H 3.150 . 4.500 3.480 3.447 3.506 . 0 0 "[ . 1 . 2]" 1
769 1 31 TYR HB2 1 31 TYR QD 2.300 . 2.800 2.445 2.333 2.527 . 0 0 "[ . 1 . 2]" 1
770 1 31 TYR HB2 1 31 TYR QE 3.150 . 4.500 4.431 4.389 4.454 . 0 0 "[ . 1 . 2]" 1
771 1 31 TYR HB3 1 31 TYR QD 2.300 . 2.800 2.387 2.339 2.485 . 0 0 "[ . 1 . 2]" 1
772 1 31 TYR HB3 1 32 TYR H 3.650 . 5.500 4.076 4.032 4.136 . 0 0 "[ . 1 . 2]" 1
773 1 31 TYR QD 1 32 TYR HA 4.150 . 6.500 5.921 5.793 6.001 . 0 0 "[ . 1 . 2]" 1
774 1 32 TYR H 1 32 TYR HB2 2.650 . 3.500 2.914 2.839 2.990 . 0 0 "[ . 1 . 2]" 1
775 1 32 TYR H 1 32 TYR HB3 2.650 . 3.500 2.660 2.595 2.760 . 0 0 "[ . 1 . 2]" 1
776 1 32 TYR H 1 32 TYR QD 3.650 . 5.500 4.346 4.321 4.368 . 0 0 "[ . 1 . 2]" 1
777 1 32 TYR HA 1 32 TYR HB2 2.300 . 2.800 2.508 2.449 2.567 . 0 0 "[ . 1 . 2]" 1
778 1 32 TYR HA 1 32 TYR HB3 2.650 . 3.500 3.020 3.007 3.029 . 0 0 "[ . 1 . 2]" 1
779 1 32 TYR HA 1 32 TYR QD 2.650 . 3.500 2.655 2.431 2.791 . 0 0 "[ . 1 . 2]" 1
780 1 32 TYR HA 1 32 TYR QE 3.650 . 5.500 4.548 4.443 4.620 . 0 0 "[ . 1 . 2]" 1
781 1 32 TYR HA 1 33 SER H 2.300 . 2.800 2.074 2.046 2.112 . 0 0 "[ . 1 . 2]" 1
782 1 32 TYR HB2 1 32 TYR QD 2.300 . 2.800 2.520 2.442 2.647 . 0 0 "[ . 1 . 2]" 1
783 1 32 TYR HB2 1 32 TYR QE 3.150 . 4.500 4.458 4.422 4.504 0.004 18 0 "[ . 1 . 2]" 1
784 1 32 TYR HB3 1 32 TYR QD 2.300 . 2.800 2.366 2.308 2.407 . 0 0 "[ . 1 . 2]" 1
785 1 32 TYR HB3 1 33 SER H 3.650 . 5.500 4.244 4.187 4.292 . 0 0 "[ . 1 . 2]" 1
786 1 32 TYR QD 1 34 GLN H 3.650 . 5.500 4.926 4.518 5.355 . 0 0 "[ . 1 . 2]" 1
787 1 32 TYR QD 1 34 GLN HB2 3.150 . 4.500 3.897 3.444 4.292 . 0 0 "[ . 1 . 2]" 1
788 1 32 TYR QE 1 34 GLN H 3.650 . 5.500 4.990 4.695 5.407 . 0 0 "[ . 1 . 2]" 1
789 1 32 TYR QE 1 34 GLN HB2 2.650 . 3.500 2.701 2.234 3.266 . 0 0 "[ . 1 . 2]" 1
790 1 32 TYR QE 1 34 GLN HB3 3.650 . 5.500 3.826 3.470 4.298 . 0 0 "[ . 1 . 2]" 1
791 1 32 TYR QE 1 34 GLN HE22 3.650 . 5.500 4.296 3.935 4.613 . 0 0 "[ . 1 . 2]" 1
792 1 33 SER H 1 33 SER HB2 2.650 . 3.500 2.625 2.577 2.674 . 0 0 "[ . 1 . 2]" 1
793 1 33 SER H 1 34 GLN H 3.650 . 5.500 4.278 4.235 4.379 . 0 0 "[ . 1 . 2]" 1
794 1 33 SER HA 1 33 SER HB3 2.650 . 2.800 2.426 2.403 2.446 . 0 0 "[ . 1 . 2]" 1
795 1 33 SER HA 1 34 GLN H 2.300 . 2.800 2.288 2.221 2.405 . 0 0 "[ . 1 . 2]" 1
796 1 33 SER HB3 1 34 GLN H 2.650 . 3.500 3.066 2.869 3.199 . 0 0 "[ . 1 . 2]" 1
797 1 34 GLN H 1 34 GLN HB2 2.650 . 2.800 2.428 2.387 2.460 . 0 0 "[ . 1 . 2]" 1
798 1 34 GLN H 1 34 GLN HB3 2.650 . 3.500 2.737 2.669 2.841 . 0 0 "[ . 1 . 2]" 1
799 1 34 GLN H 1 35 CYS H 3.650 . 5.500 3.829 3.811 3.851 . 0 0 "[ . 1 . 2]" 1
800 1 34 GLN HB2 1 34 GLN HE21 3.650 . 5.500 3.984 3.963 4.008 . 0 0 "[ . 1 . 2]" 1
801 1 34 GLN HB2 1 34 GLN HE22 3.650 . 5.500 4.372 4.320 4.417 . 0 0 "[ . 1 . 2]" 1
802 1 34 GLN HB2 1 34 GLN QG 2.300 . 2.800 2.361 2.340 2.388 . 0 0 "[ . 1 . 2]" 1
803 1 34 GLN HB2 1 34 GLN HG3 2.650 . 2.800 2.471 2.440 2.509 . 0 0 "[ . 1 . 2]" 1
804 1 34 GLN HB2 1 35 CYS H 3.150 . 4.500 4.045 3.979 4.095 . 0 0 "[ . 1 . 2]" 1
805 1 34 GLN HB3 1 34 GLN HE21 3.650 . 5.500 4.465 4.444 4.500 . 0 0 "[ . 1 . 2]" 1
806 1 34 GLN HB3 1 35 CYS H 3.150 . 4.500 3.807 3.763 3.837 . 0 0 "[ . 1 . 2]" 1
807 1 34 GLN HB3 1 36 LEU HG 3.650 . 4.500 4.516 4.464 4.542 0.042 18 0 "[ . 1 . 2]" 1
808 1 34 GLN HE21 1 34 GLN HG3 2.650 . 3.500 2.224 2.201 2.250 . 0 0 "[ . 1 . 2]" 1
809 1 34 GLN HE22 1 34 GLN QG 2.650 . 3.500 3.209 3.197 3.222 . 0 0 "[ . 1 . 2]" 1
810 1 34 GLN HE22 1 34 GLN HG3 2.650 . 3.500 3.469 3.455 3.489 . 0 0 "[ . 1 . 2]" 1
811 1 34 GLN HE22 1 36 LEU MD1 3.650 . 5.500 3.715 3.465 4.064 . 0 0 "[ . 1 . 2]" 1
812 1 34 GLN HG2 1 35 CYS H 3.150 . 4.500 2.561 2.456 2.684 . 0 0 "[ . 1 . 2]" 1
813 1 34 GLN HG2 1 36 LEU MD2 2.300 . 2.800 2.623 2.456 2.752 . 0 0 "[ . 1 . 2]" 1
814 1 34 GLN HG3 1 35 CYS H 2.650 . 3.500 2.763 2.689 2.889 . 0 0 "[ . 1 . 2]" 1
815 1 34 GLN HG3 1 36 LEU HG 4.150 . 6.500 6.362 6.246 6.434 . 0 0 "[ . 1 . 2]" 1
816 1 35 CYS H 1 35 CYS HA 2.650 . 3.500 2.906 2.898 2.917 . 0 0 "[ . 1 . 2]" 1
817 1 35 CYS H 1 35 CYS HB2 2.300 . 2.800 2.484 2.455 2.508 . 0 0 "[ . 1 . 2]" 1
818 1 35 CYS H 1 35 CYS HB3 3.150 . 4.500 3.629 3.614 3.644 . 0 0 "[ . 1 . 2]" 1
819 1 35 CYS H 1 36 LEU QD 3.650 . 5.500 3.423 3.398 3.449 . 0 0 "[ . 1 . 2]" 1
820 1 35 CYS H 1 36 LEU HG 4.150 . 6.500 6.537 6.521 6.553 0.053 2 0 "[ . 1 . 2]" 1
821 1 35 CYS HA 1 35 CYS HB2 2.650 . 3.500 3.025 3.018 3.029 . 0 0 "[ . 1 . 2]" 1
822 1 35 CYS HA 1 35 CYS HB3 2.650 . 3.500 2.458 2.432 2.473 . 0 0 "[ . 1 . 2]" 1
823 1 35 CYS HA 1 36 LEU H 2.300 . 2.800 2.135 2.107 2.169 . 0 0 "[ . 1 . 2]" 1
824 1 35 CYS HA 1 36 LEU QB 3.150 . 4.500 4.477 4.430 4.507 0.007 19 0 "[ . 1 . 2]" 1
825 1 35 CYS HA 1 36 LEU MD1 3.650 . 5.500 4.540 4.421 4.667 . 0 0 "[ . 1 . 2]" 1
826 1 35 CYS HA 1 36 LEU MD2 3.650 . 5.500 3.323 3.271 3.389 . 0 0 "[ . 1 . 2]" 1
827 1 35 CYS HA 1 36 LEU HG 4.150 . 6.500 6.107 6.062 6.162 . 0 0 "[ . 1 . 2]" 1
828 1 35 CYS HB3 1 36 LEU H 3.650 . 4.500 3.708 3.677 3.742 . 0 0 "[ . 1 . 2]" 1
829 1 35 CYS HB3 1 36 LEU MD2 4.150 . 6.500 5.013 4.976 5.061 . 0 0 "[ . 1 . 2]" 1
830 1 36 LEU H 1 36 LEU QB 2.650 . 2.800 2.550 2.504 2.584 . 0 0 "[ . 1 . 2]" 1
831 1 36 LEU H 1 36 LEU MD1 3.650 . 5.500 3.591 3.484 3.669 . 0 0 "[ . 1 . 2]" 1
832 1 36 LEU H 1 36 LEU HG 3.150 . 4.500 4.413 4.346 4.479 . 0 0 "[ . 1 . 2]" 1
833 1 36 LEU HA 1 36 LEU QB 2.300 . 2.800 2.385 2.371 2.394 . 0 0 "[ . 1 . 2]" 1
834 1 36 LEU HA 1 36 LEU MD1 2.300 . 2.800 2.093 2.050 2.120 . 0 0 "[ . 1 . 2]" 1
835 1 36 LEU HA 1 36 LEU MD2 3.150 . 4.500 3.248 3.160 3.294 . 0 0 "[ . 1 . 2]" 1
836 1 36 LEU HA 1 36 LEU HG 3.150 . 4.500 3.722 3.690 3.748 . 0 0 "[ . 1 . 2]" 1
837 1 36 LEU QB 1 36 LEU QD 2.300 . 2.800 2.066 2.053 2.073 . 0 0 "[ . 1 . 2]" 1
838 1 36 LEU QB 1 36 LEU MD2 2.300 . 2.800 2.228 2.213 2.247 . 0 0 "[ . 1 . 2]" 1
839 1 36 LEU QB 1 36 LEU HG 2.300 . 2.800 2.138 2.108 2.148 . 0 0 "[ . 1 . 2]" 1
840 1 36 LEU MD1 1 36 LEU HG 2.300 . 2.800 2.084 2.076 2.091 . 0 0 "[ . 1 . 2]" 1
841 1 36 LEU MD2 1 36 LEU HG 2.300 . 2.800 2.113 2.107 2.123 . 0 0 "[ . 1 . 2]" 1
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