NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617145 |
5x38   |
36054 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x38
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 832
_Distance_constraint_stats_list.Viol_count 569
_Distance_constraint_stats_list.Viol_total 260.583
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0229
_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 0.342 0.044 5 0 "[ . 1 . 2]"
1 2 GLN 0.295 0.030 11 0 "[ . 1 . 2]"
1 3 SER 1.406 0.087 3 0 "[ . 1 . 2]"
1 4 HIS 0.752 0.085 9 0 "[ . 1 . 2]"
1 5 TYR 0.370 0.038 10 0 "[ . 1 . 2]"
1 6 GLY 0.059 0.030 11 0 "[ . 1 . 2]"
1 7 GLN 1.067 0.058 5 0 "[ . 1 . 2]"
1 8 CYS 0.250 0.029 18 0 "[ . 1 . 2]"
1 9 GLY 0.514 0.058 5 0 "[ . 1 . 2]"
1 10 GLY 0.662 0.052 2 0 "[ . 1 . 2]"
1 11 ILE 0.582 0.074 5 0 "[ . 1 . 2]"
1 12 GLY 0.064 0.027 5 0 "[ . 1 . 2]"
1 13 TYR 0.325 0.048 19 0 "[ . 1 . 2]"
1 14 SER 1.714 0.160 20 0 "[ . 1 . 2]"
1 15 GLY 0.157 0.042 2 0 "[ . 1 . 2]"
1 16 PRO 0.180 0.042 2 0 "[ . 1 . 2]"
1 17 THR 0.573 0.061 10 0 "[ . 1 . 2]"
1 18 VAL 0.281 0.044 5 0 "[ . 1 . 2]"
1 19 CYS 0.528 0.085 9 0 "[ . 1 . 2]"
1 20 ALA 0.154 0.022 17 0 "[ . 1 . 2]"
1 21 SER 0.125 0.053 20 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 1.057 0.062 4 0 "[ . 1 . 2]"
1 24 THR 0.276 0.036 11 0 "[ . 1 . 2]"
1 25 CYS 0.594 0.085 9 0 "[ . 1 . 2]"
1 26 GLN 1.297 0.085 8 0 "[ . 1 . 2]"
1 27 VAL 0.694 0.051 20 0 "[ . 1 . 2]"
1 28 LEU 2.131 0.092 10 0 "[ . 1 . 2]"
1 29 ASN 1.191 0.051 20 0 "[ . 1 . 2]"
1 30 PRO 0.245 0.027 9 0 "[ . 1 . 2]"
1 31 TYR 1.052 0.074 5 0 "[ . 1 . 2]"
1 32 TYR 2.165 0.092 10 0 "[ . 1 . 2]"
1 33 SER 0.375 0.035 11 0 "[ . 1 . 2]"
1 34 GLN 0.703 0.056 19 0 "[ . 1 . 2]"
1 35 CYS 1.157 0.085 8 0 "[ . 1 . 2]"
1 36 LEU 1.146 0.056 19 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 3.028 3.011 3.043 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 1 THR MG 2.650 . 3.500 2.287 2.201 2.348 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR HA 1 2 GLN H 3.150 . 3.500 2.220 2.115 2.315 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR HA 1 2 GLN HB2 3.650 . 5.500 3.757 3.343 4.195 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR HA 1 16 PRO HB2 3.650 . 5.500 4.150 3.464 5.072 . 0 0 "[ . 1 . 2]" 1
6 1 1 THR HA 1 17 THR H 3.650 . 5.500 5.234 4.740 5.507 0.007 19 0 "[ . 1 . 2]" 1
7 1 1 THR HA 1 18 VAL H 3.650 . 5.500 4.076 3.470 4.422 . 0 0 "[ . 1 . 2]" 1
8 1 1 THR HA 1 18 VAL HB 3.150 . 4.500 3.212 2.631 3.575 . 0 0 "[ . 1 . 2]" 1
9 1 1 THR HA 1 18 VAL MG1 3.150 . 4.500 3.879 3.542 4.383 . 0 0 "[ . 1 . 2]" 1
10 1 1 THR HA 1 20 ALA H 3.650 . 5.500 5.292 5.001 5.505 0.005 17 0 "[ . 1 . 2]" 1
11 1 1 THR HB 1 2 GLN H 3.650 . 4.500 4.015 3.834 4.302 . 0 0 "[ . 1 . 2]" 1
12 1 1 THR HB 1 19 CYS HB2 3.150 . 4.500 4.188 4.130 4.235 . 0 0 "[ . 1 . 2]" 1
13 1 1 THR HB 1 19 CYS HB2 3.650 . 5.500 4.564 4.472 4.623 . 0 0 "[ . 1 . 2]" 1
14 1 1 THR HB 1 20 ALA H 3.650 . 5.500 5.272 4.822 5.516 0.016 7 0 "[ . 1 . 2]" 1
15 1 1 THR HB 1 20 ALA MB 3.650 . 4.500 3.997 3.559 4.506 0.006 7 0 "[ . 1 . 2]" 1
16 1 1 THR MG 1 2 GLN H 3.650 . 5.500 2.626 2.332 3.052 . 0 0 "[ . 1 . 2]" 1
17 1 1 THR MG 1 3 SER HA 3.650 . 5.500 4.340 3.993 4.634 . 0 0 "[ . 1 . 2]" 1
18 1 1 THR MG 1 18 VAL HB 3.150 . 4.500 3.472 3.079 3.852 . 0 0 "[ . 1 . 2]" 1
19 1 1 THR MG 1 18 VAL MG1 2.300 . 2.800 2.783 2.496 2.844 0.044 5 0 "[ . 1 . 2]" 1
20 1 1 THR MG 1 19 CYS HA 3.150 . 4.500 3.371 3.156 3.651 . 0 0 "[ . 1 . 2]" 1
21 1 1 THR MG 1 20 ALA H 3.650 . 5.500 2.904 2.678 3.082 . 0 0 "[ . 1 . 2]" 1
22 1 1 THR MG 1 20 ALA HA 2.650 . 3.500 2.121 1.911 2.444 . 0 0 "[ . 1 . 2]" 1
23 1 1 THR MG 1 21 SER H 3.650 . 5.500 3.682 3.393 4.087 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLN H 1 2 GLN HB2 3.650 . 4.500 2.517 2.313 2.701 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLN H 1 2 GLN HB3 3.650 . 4.500 2.509 2.436 2.566 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLN H 1 2 GLN HG2 3.650 . 5.500 4.436 4.387 4.479 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLN H 1 2 GLN HG3 3.650 . 5.500 4.442 4.389 4.500 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLN H 1 18 VAL H 3.650 . 5.500 3.984 3.624 4.273 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLN H 1 18 VAL HB 3.650 . 5.500 4.042 3.822 4.252 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLN H 1 19 CYS HA 3.150 . 4.500 2.803 2.467 3.114 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN H 1 20 ALA H 3.650 . 5.500 3.898 3.486 4.188 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLN HA 1 2 GLN HB2 2.650 . 3.500 2.495 2.471 2.526 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLN HA 1 2 GLN HB3 2.650 . 3.500 2.686 2.675 2.693 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLN HA 1 2 GLN HG2 3.150 . 4.500 3.552 3.469 3.599 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLN HA 1 2 GLN HG3 3.650 . 5.500 3.132 3.032 3.235 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLN HA 1 16 PRO HG2 2.650 . 3.500 3.107 2.654 3.373 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLN HA 1 17 THR H 4.150 . 6.500 6.295 5.910 6.527 0.027 17 0 "[ . 1 . 2]" 1
38 1 2 GLN HB2 1 6 GLY HA3 3.650 . 5.500 4.335 3.810 4.494 . 0 0 "[ . 1 . 2]" 1
39 1 2 GLN HB2 1 2 GLN HE21 3.650 . 5.500 2.859 2.479 3.759 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLN HB2 1 18 VAL H 3.150 . 4.500 3.548 2.989 4.003 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLN HB2 1 2 GLN HG2 2.650 . 3.500 2.410 2.373 2.438 . 0 0 "[ . 1 . 2]" 1
42 1 2 GLN HB2 1 2 GLN HG3 2.650 . 3.500 3.007 2.999 3.024 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLN HB2 1 2 GLN HG3 2.650 . 3.500 2.968 2.936 2.983 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLN HB2 1 3 SER H 3.150 . 4.500 3.994 3.874 4.085 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLN HB2 1 8 CYS HB3 3.650 . 5.500 4.379 3.918 4.690 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLN HB2 1 17 THR H 3.150 . 4.500 3.659 3.495 3.950 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLN HB2 1 19 CYS HA 3.150 . 4.500 3.786 3.611 3.980 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLN HB2 1 20 ALA H 3.650 . 5.500 5.425 5.281 5.522 0.022 17 0 "[ . 1 . 2]" 1
49 1 2 GLN HB3 1 2 GLN HE21 3.650 . 5.500 4.094 3.905 4.515 . 0 0 "[ . 1 . 2]" 1
50 1 2 GLN HB3 1 2 GLN HE22 3.650 . 5.500 4.336 3.974 4.549 . 0 0 "[ . 1 . 2]" 1
51 1 2 GLN HB3 1 2 GLN HG2 2.300 . 2.800 2.175 2.152 2.197 . 0 0 "[ . 1 . 2]" 1
52 1 2 GLN HB3 1 2 GLN HG2 2.300 . 2.800 2.122 2.109 2.139 . 0 0 "[ . 1 . 2]" 1
53 1 2 GLN HB3 1 2 GLN HG3 2.650 . 3.500 2.412 2.377 2.438 . 0 0 "[ . 1 . 2]" 1
54 1 2 GLN HB3 1 6 GLY HA3 3.650 . 5.500 4.112 3.756 4.379 . 0 0 "[ . 1 . 2]" 1
55 1 2 GLN HB3 1 8 CYS HA 3.150 . 4.500 3.215 3.023 3.479 . 0 0 "[ . 1 . 2]" 1
56 1 2 GLN HB3 1 8 CYS HB3 3.650 . 4.500 3.667 3.163 4.101 . 0 0 "[ . 1 . 2]" 1
57 1 2 GLN HB3 1 17 THR HA 2.650 . 3.500 2.978 2.963 2.991 . 0 0 "[ . 1 . 2]" 1
58 1 2 GLN HB3 1 19 CYS HA 2.650 . 3.500 2.245 2.112 2.428 . 0 0 "[ . 1 . 2]" 1
59 1 2 GLN HB3 1 20 ALA H 3.650 . 5.500 3.962 3.753 4.168 . 0 0 "[ . 1 . 2]" 1
60 1 2 GLN HB3 1 35 CYS H 3.650 . 4.500 4.052 3.979 4.105 . 0 0 "[ . 1 . 2]" 1
61 1 2 GLN HE21 1 2 GLN HG2 2.650 . 3.500 2.216 2.129 2.258 . 0 0 "[ . 1 . 2]" 1
62 1 2 GLN HE21 1 2 GLN HG3 3.150 . 4.500 3.367 3.033 3.471 . 0 0 "[ . 1 . 2]" 1
63 1 2 GLN HE21 1 6 GLY HA3 3.650 . 4.500 3.892 3.051 4.515 0.015 5 0 "[ . 1 . 2]" 1
64 1 2 GLN HE21 1 7 GLN HA 3.650 . 5.500 4.577 3.951 5.125 . 0 0 "[ . 1 . 2]" 1
65 1 2 GLN HE21 1 7 GLN HB2 3.650 . 5.500 4.045 3.743 4.428 . 0 0 "[ . 1 . 2]" 1
66 1 2 GLN HE21 1 15 GLY HA3 3.650 . 5.500 4.940 4.276 5.520 0.020 15 0 "[ . 1 . 2]" 1
67 1 2 GLN HE22 1 2 GLN HG2 2.650 . 3.500 3.469 3.448 3.492 . 0 0 "[ . 1 . 2]" 1
68 1 2 GLN HE22 1 3 SER H 3.650 . 5.500 4.802 4.644 5.064 . 0 0 "[ . 1 . 2]" 1
69 1 2 GLN HE22 1 6 GLY HA2 3.650 . 5.500 4.539 3.922 5.463 . 0 0 "[ . 1 . 2]" 1
70 1 2 GLN HE22 1 6 GLY HA3 3.650 . 5.500 3.714 3.310 4.435 . 0 0 "[ . 1 . 2]" 1
71 1 2 GLN HE22 1 7 GLN H 3.150 . 4.500 3.393 2.811 4.508 0.008 5 0 "[ . 1 . 2]" 1
72 1 2 GLN HE22 1 8 CYS HA 3.650 . 5.500 4.390 4.154 4.578 . 0 0 "[ . 1 . 2]" 1
73 1 2 GLN HE22 1 13 TYR QE 3.650 . 5.500 3.796 2.794 4.375 . 0 0 "[ . 1 . 2]" 1
74 1 2 GLN HE22 1 15 GLY HA3 3.650 . 5.500 4.685 3.867 5.141 . 0 0 "[ . 1 . 2]" 1
75 1 2 GLN HE22 1 16 PRO HB3 3.650 . 5.500 4.392 4.104 4.709 . 0 0 "[ . 1 . 2]" 1
76 1 2 GLN HE22 1 16 PRO HD2 3.650 . 5.500 3.924 2.845 4.791 . 0 0 "[ . 1 . 2]" 1
77 1 2 GLN HE22 1 16 PRO HG2 2.300 . 2.800 2.362 1.914 2.816 0.016 16 0 "[ . 1 . 2]" 1
78 1 2 GLN HG2 1 6 GLY H 3.650 . 5.500 4.631 4.290 5.010 . 0 0 "[ . 1 . 2]" 1
79 1 2 GLN HG2 1 6 GLY HA3 3.650 . 4.500 3.494 3.247 3.661 . 0 0 "[ . 1 . 2]" 1
80 1 2 GLN HG2 1 6 GLY HA3 3.150 . 4.500 3.307 3.111 3.416 . 0 0 "[ . 1 . 2]" 1
81 1 2 GLN HG2 1 8 CYS H 2.650 . 3.500 3.278 3.029 3.503 0.003 15 0 "[ . 1 . 2]" 1
82 1 2 GLN HG2 1 13 TYR QE 3.150 . 4.500 3.408 3.095 3.815 . 0 0 "[ . 1 . 2]" 1
83 1 2 GLN HG2 1 8 CYS HA 3.650 . 5.500 2.269 1.984 2.557 . 0 0 "[ . 1 . 2]" 1
84 1 2 GLN HG2 1 8 CYS HB3 3.150 . 4.500 3.086 2.860 3.312 . 0 0 "[ . 1 . 2]" 1
85 1 2 GLN HG2 1 35 CYS HB2 3.150 . 4.500 4.187 3.815 4.472 . 0 0 "[ . 1 . 2]" 1
86 1 2 GLN HG3 1 3 SER H 3.150 . 3.500 3.236 3.003 3.508 0.008 15 0 "[ . 1 . 2]" 1
87 1 2 GLN HG3 1 3 SER HB2 3.150 . 4.500 4.230 4.069 4.394 . 0 0 "[ . 1 . 2]" 1
88 1 2 GLN HG3 1 6 GLY H 3.150 . 4.500 3.399 3.167 3.582 . 0 0 "[ . 1 . 2]" 1
89 1 2 GLN HG3 1 6 GLY HA2 3.150 . 4.500 4.345 4.169 4.530 0.030 11 0 "[ . 1 . 2]" 1
90 1 2 GLN HG3 1 6 GLY HA3 2.650 . 3.500 2.675 2.458 2.877 . 0 0 "[ . 1 . 2]" 1
91 1 2 GLN HG3 1 8 CYS HA 3.650 . 5.500 3.932 3.678 4.265 . 0 0 "[ . 1 . 2]" 1
92 1 2 GLN HG3 1 8 CYS HA 3.650 . 5.500 3.750 3.552 3.997 . 0 0 "[ . 1 . 2]" 1
93 1 2 GLN HG3 1 13 TYR QE 3.150 . 4.500 4.306 4.258 4.347 . 0 0 "[ . 1 . 2]" 1
94 1 3 SER H 1 3 SER HB2 2.650 . 3.500 3.570 3.554 3.587 0.087 3 0 "[ . 1 . 2]" 1
95 1 3 SER H 1 3 SER HB3 3.150 . 3.500 2.521 2.449 2.593 . 0 0 "[ . 1 . 2]" 1
96 1 3 SER H 1 4 HIS H 3.650 . 5.500 4.531 4.473 4.587 . 0 0 "[ . 1 . 2]" 1
97 1 3 SER H 1 6 GLY H 3.650 . 5.500 4.789 4.463 5.002 . 0 0 "[ . 1 . 2]" 1
98 1 3 SER H 1 6 GLY HA3 3.150 . 4.500 4.002 3.725 4.318 . 0 0 "[ . 1 . 2]" 1
99 1 3 SER H 1 35 CYS HB2 3.150 . 4.500 4.114 4.045 4.171 . 0 0 "[ . 1 . 2]" 1
100 1 3 SER HA 1 3 SER HB2 2.650 . 2.800 2.407 2.364 2.448 . 0 0 "[ . 1 . 2]" 1
101 1 3 SER HA 1 3 SER HB3 2.300 . 2.800 2.249 2.210 2.295 . 0 0 "[ . 1 . 2]" 1
102 1 3 SER HA 1 4 HIS H 2.300 . 2.800 2.474 2.314 2.639 . 0 0 "[ . 1 . 2]" 1
103 1 3 SER HA 1 4 HIS H 3.150 . 4.500 2.075 1.978 2.144 . 0 0 "[ . 1 . 2]" 1
104 1 3 SER HA 1 4 HIS HB2 3.650 . 5.500 4.074 4.012 4.144 . 0 0 "[ . 1 . 2]" 1
105 1 3 SER HA 1 4 HIS HB3 3.650 . 5.500 4.820 4.693 4.921 . 0 0 "[ . 1 . 2]" 1
106 1 3 SER HA 1 20 ALA MB 2.650 . 2.800 2.408 2.027 2.642 . 0 0 "[ . 1 . 2]" 1
107 1 3 SER HA 1 20 ALA MB 3.150 . 4.500 2.560 2.381 2.728 . 0 0 "[ . 1 . 2]" 1
108 1 3 SER HA 1 23 THR MG 3.650 . 4.500 3.533 3.197 3.789 . 0 0 "[ . 1 . 2]" 1
109 1 3 SER HA 1 35 CYS HB2 3.150 . 4.500 4.330 4.228 4.444 . 0 0 "[ . 1 . 2]" 1
110 1 3 SER HB2 1 4 HIS H 3.150 . 3.500 2.294 2.123 2.476 . 0 0 "[ . 1 . 2]" 1
111 1 4 HIS H 1 4 HIS HA 2.650 . 3.500 2.816 2.789 2.860 . 0 0 "[ . 1 . 2]" 1
112 1 4 HIS H 1 4 HIS HB2 2.300 . 2.800 2.324 2.244 2.436 . 0 0 "[ . 1 . 2]" 1
113 1 4 HIS H 1 4 HIS HB2 2.300 . 2.800 2.136 2.087 2.200 . 0 0 "[ . 1 . 2]" 1
114 1 4 HIS H 1 4 HIS HB3 2.650 . 3.500 2.651 2.545 2.716 . 0 0 "[ . 1 . 2]" 1
115 1 4 HIS H 1 4 HIS HD2 3.650 . 4.500 4.110 4.009 4.176 . 0 0 "[ . 1 . 2]" 1
116 1 4 HIS H 1 5 TYR H 3.650 . 5.500 4.551 4.515 4.585 . 0 0 "[ . 1 . 2]" 1
117 1 4 HIS H 1 20 ALA MB 3.150 . 4.500 3.829 3.523 4.259 . 0 0 "[ . 1 . 2]" 1
118 1 4 HIS H 1 23 THR MG 3.650 . 5.500 3.543 3.167 4.038 . 0 0 "[ . 1 . 2]" 1
119 1 4 HIS HA 1 4 HIS HB2 2.300 . 2.800 2.574 2.542 2.625 . 0 0 "[ . 1 . 2]" 1
120 1 4 HIS HA 1 4 HIS HB3 2.650 . 3.500 3.025 3.016 3.035 . 0 0 "[ . 1 . 2]" 1
121 1 4 HIS HA 1 4 HIS HD2 2.650 . 2.800 2.224 2.129 2.316 . 0 0 "[ . 1 . 2]" 1
122 1 4 HIS HA 1 4 HIS HD2 2.300 . 2.800 2.181 2.081 2.263 . 0 0 "[ . 1 . 2]" 1
123 1 4 HIS HA 1 5 TYR H 3.650 . 5.500 2.176 2.153 2.206 . 0 0 "[ . 1 . 2]" 1
124 1 4 HIS HA 1 5 TYR H 2.300 . 2.800 1.943 1.928 1.961 . 0 0 "[ . 1 . 2]" 1
125 1 4 HIS HA 1 35 CYS HB2 2.300 . 2.800 2.305 2.189 2.404 . 0 0 "[ . 1 . 2]" 1
126 1 4 HIS HA 1 5 TYR QE 3.650 . 5.500 4.385 4.258 4.447 . 0 0 "[ . 1 . 2]" 1
127 1 4 HIS HA 1 6 GLY H 2.650 . 3.500 2.895 2.841 2.957 . 0 0 "[ . 1 . 2]" 1
128 1 4 HIS HA 1 35 CYS H 3.150 . 4.500 3.763 3.571 4.005 . 0 0 "[ . 1 . 2]" 1
129 1 4 HIS HA 1 23 THR H 3.650 . 5.500 4.937 4.862 5.071 . 0 0 "[ . 1 . 2]" 1
130 1 4 HIS HA 1 23 THR MG 3.150 . 3.500 2.534 2.156 2.778 . 0 0 "[ . 1 . 2]" 1
131 1 4 HIS HA 1 36 LEU H 3.650 . 4.500 3.434 3.243 3.585 . 0 0 "[ . 1 . 2]" 1
132 1 4 HIS HB2 1 4 HIS HD2 2.650 . 3.500 3.227 3.125 3.323 . 0 0 "[ . 1 . 2]" 1
133 1 4 HIS HB2 1 4 HIS HD2 3.150 . 4.500 3.392 3.293 3.506 . 0 0 "[ . 1 . 2]" 1
134 1 4 HIS HB2 1 5 TYR H 2.650 . 3.500 3.448 3.382 3.508 0.008 16 0 "[ . 1 . 2]" 1
135 1 4 HIS HB2 1 6 GLY H 3.650 . 5.500 4.516 4.400 4.693 . 0 0 "[ . 1 . 2]" 1
136 1 4 HIS HB2 1 20 ALA MB 3.650 . 5.500 3.737 3.515 4.027 . 0 0 "[ . 1 . 2]" 1
137 1 4 HIS HB2 1 20 ALA MB 3.650 . 5.500 4.020 3.655 4.490 . 0 0 "[ . 1 . 2]" 1
138 1 4 HIS HB2 1 23 THR HA 3.150 . 4.500 4.447 4.213 4.526 0.026 14 0 "[ . 1 . 2]" 1
139 1 4 HIS HB2 1 23 THR MG 3.150 . 3.500 2.290 2.097 2.485 . 0 0 "[ . 1 . 2]" 1
140 1 4 HIS HB3 1 5 TYR H 3.150 . 4.500 4.039 3.966 4.111 . 0 0 "[ . 1 . 2]" 1
141 1 4 HIS HB3 1 5 TYR QD 2.650 . 3.500 3.029 2.734 3.354 . 0 0 "[ . 1 . 2]" 1
142 1 4 HIS HB3 1 23 THR MG 3.150 . 4.500 3.677 3.562 3.838 . 0 0 "[ . 1 . 2]" 1
143 1 4 HIS HB3 1 23 THR MG 3.150 . 4.500 3.376 3.200 3.519 . 0 0 "[ . 1 . 2]" 1
144 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 3.823 3.710 3.932 . 0 0 "[ . 1 . 2]" 1
145 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 3.935 3.796 4.096 . 0 0 "[ . 1 . 2]" 1
146 1 4 HIS HD2 1 5 TYR H 2.300 . 2.800 2.432 2.102 2.714 . 0 0 "[ . 1 . 2]" 1
147 1 4 HIS HD2 1 36 LEU HG 3.650 . 5.500 4.245 3.912 4.454 . 0 0 "[ . 1 . 2]" 1
148 1 4 HIS HD2 1 34 GLN HB3 3.650 . 5.500 5.278 4.999 5.512 0.012 9 0 "[ . 1 . 2]" 1
149 1 4 HIS HD2 1 34 GLN HG2 3.650 . 5.500 3.797 3.394 4.048 . 0 0 "[ . 1 . 2]" 1
150 1 4 HIS HD2 1 34 GLN HG3 3.650 . 5.500 3.929 3.694 4.154 . 0 0 "[ . 1 . 2]" 1
151 1 4 HIS HD2 1 36 LEU QB 3.150 . 4.500 4.161 4.051 4.294 . 0 0 "[ . 1 . 2]" 1
152 1 4 HIS HD2 1 36 LEU MD2 2.300 . 2.800 2.612 2.281 2.810 0.010 3 0 "[ . 1 . 2]" 1
153 1 4 HIS HD2 1 36 LEU HG 3.150 . 4.500 4.291 3.937 4.507 0.007 2 0 "[ . 1 . 2]" 1
154 1 4 HIS HD2 1 19 CYS HA 4.150 . 6.500 6.445 6.192 6.585 0.085 9 0 "[ . 1 . 2]" 1
155 1 4 HIS HD2 1 23 THR HB 3.650 . 5.500 3.121 2.805 3.492 . 0 0 "[ . 1 . 2]" 1
156 1 4 HIS HD2 1 23 THR MG 3.150 . 3.500 2.664 2.367 3.010 . 0 0 "[ . 1 . 2]" 1
157 1 4 HIS HD2 1 36 LEU H 3.650 . 5.500 4.041 3.833 4.197 . 0 0 "[ . 1 . 2]" 1
158 1 4 HIS HD2 1 36 LEU H 3.650 . 5.500 4.185 3.998 4.311 . 0 0 "[ . 1 . 2]" 1
159 1 4 HIS HD2 1 36 LEU HA 2.650 . 3.500 2.173 2.014 2.384 . 0 0 "[ . 1 . 2]" 1
160 1 4 HIS HE1 1 5 TYR QE 3.650 . 5.500 3.260 2.805 4.205 . 0 0 "[ . 1 . 2]" 1
161 1 4 HIS HE1 1 23 THR HA 4.150 . 6.500 6.372 5.820 6.562 0.062 4 0 "[ . 1 . 2]" 1
162 1 4 HIS HE1 1 23 THR MG 3.650 . 5.500 4.223 3.794 4.460 . 0 0 "[ . 1 . 2]" 1
163 1 4 HIS HE1 1 36 LEU HA 3.650 . 5.500 4.426 4.311 4.547 . 0 0 "[ . 1 . 2]" 1
164 1 4 HIS HE1 1 36 LEU MD2 3.650 . 5.500 4.094 3.900 4.351 . 0 0 "[ . 1 . 2]" 1
165 1 5 TYR H 1 5 TYR HB2 3.650 . 5.500 3.661 3.621 3.719 . 0 0 "[ . 1 . 2]" 1
166 1 5 TYR H 1 5 TYR QE 3.650 . 5.500 5.057 4.896 5.144 . 0 0 "[ . 1 . 2]" 1
167 1 5 TYR H 1 6 GLY H 2.650 . 3.500 2.594 2.487 2.664 . 0 0 "[ . 1 . 2]" 1
168 1 5 TYR H 1 23 THR MG 3.150 . 4.500 3.527 3.397 3.645 . 0 0 "[ . 1 . 2]" 1
169 1 5 TYR H 1 36 LEU MD1 3.650 . 5.500 5.104 5.014 5.209 . 0 0 "[ . 1 . 2]" 1
170 1 5 TYR H 1 36 LEU HG 3.650 . 5.500 4.432 4.187 4.675 . 0 0 "[ . 1 . 2]" 1
171 1 5 TYR H 1 34 GLN HE21 3.650 . 5.500 4.850 4.355 5.119 . 0 0 "[ . 1 . 2]" 1
172 1 5 TYR H 1 34 GLN HG2 3.150 . 4.500 3.567 3.278 3.882 . 0 0 "[ . 1 . 2]" 1
173 1 5 TYR H 1 35 CYS H 3.650 . 5.500 3.664 3.465 3.915 . 0 0 "[ . 1 . 2]" 1
174 1 5 TYR H 1 35 CYS HB2 2.650 . 3.500 2.880 2.753 3.071 . 0 0 "[ . 1 . 2]" 1
175 1 5 TYR H 1 36 LEU MD2 3.650 . 4.500 3.299 2.973 3.666 . 0 0 "[ . 1 . 2]" 1
176 1 5 TYR HA 1 34 GLN HB2 3.650 . 5.500 4.135 4.039 4.369 . 0 0 "[ . 1 . 2]" 1
177 1 5 TYR HA 1 5 TYR HB2 2.650 . 3.500 3.023 3.013 3.034 . 0 0 "[ . 1 . 2]" 1
178 1 5 TYR HA 1 5 TYR QE 3.150 . 4.500 3.933 3.684 4.151 . 0 0 "[ . 1 . 2]" 1
179 1 5 TYR HA 1 32 TYR QE 3.650 . 5.500 4.317 3.903 4.747 . 0 0 "[ . 1 . 2]" 1
180 1 5 TYR HA 1 34 GLN HE21 3.150 . 4.500 2.781 2.233 2.989 . 0 0 "[ . 1 . 2]" 1
181 1 5 TYR HA 1 34 GLN HE22 3.150 . 4.500 3.536 3.340 3.857 . 0 0 "[ . 1 . 2]" 1
182 1 5 TYR HA 1 34 GLN HG2 2.650 . 3.500 2.603 2.413 2.822 . 0 0 "[ . 1 . 2]" 1
183 1 5 TYR HA 1 34 GLN HG3 3.150 . 4.500 2.131 1.932 2.768 . 0 0 "[ . 1 . 2]" 1
184 1 5 TYR HA 1 36 LEU MD2 3.150 . 4.500 3.078 2.775 3.314 . 0 0 "[ . 1 . 2]" 1
185 1 5 TYR HB2 1 5 TYR QD 2.300 . 2.800 2.371 2.294 2.468 . 0 0 "[ . 1 . 2]" 1
186 1 5 TYR HB2 1 5 TYR QE 3.150 . 4.500 4.409 4.358 4.457 . 0 0 "[ . 1 . 2]" 1
187 1 5 TYR HB2 1 6 GLY H 3.150 . 4.500 3.865 3.731 3.998 . 0 0 "[ . 1 . 2]" 1
188 1 5 TYR HB2 1 6 GLY HA2 3.650 . 5.500 4.817 4.668 4.951 . 0 0 "[ . 1 . 2]" 1
189 1 5 TYR HB2 1 34 GLN HE21 3.150 . 4.500 4.456 3.938 4.538 0.038 10 0 "[ . 1 . 2]" 1
190 1 5 TYR HB2 1 34 GLN HE22 3.650 . 5.500 4.882 4.766 5.086 . 0 0 "[ . 1 . 2]" 1
191 1 5 TYR HB2 1 36 LEU MD2 3.650 . 5.500 4.910 4.713 5.157 . 0 0 "[ . 1 . 2]" 1
192 1 5 TYR HB3 1 5 TYR QD 2.300 . 2.800 2.443 2.339 2.545 . 0 0 "[ . 1 . 2]" 1
193 1 5 TYR HB3 1 5 TYR QE 3.150 . 4.500 4.423 4.386 4.450 . 0 0 "[ . 1 . 2]" 1
194 1 5 TYR HB3 1 34 GLN HE21 2.650 . 3.500 2.977 2.487 3.080 . 0 0 "[ . 1 . 2]" 1
195 1 5 TYR HB3 1 34 GLN HE22 3.150 . 4.500 3.187 3.061 3.418 . 0 0 "[ . 1 . 2]" 1
196 1 5 TYR HB3 1 36 LEU MD2 3.650 . 5.500 4.201 4.010 4.342 . 0 0 "[ . 1 . 2]" 1
197 1 5 TYR QD 1 34 GLN HE21 2.650 . 3.500 3.278 2.746 3.531 0.031 5 0 "[ . 1 . 2]" 1
198 1 5 TYR QE 1 36 LEU HA 3.650 . 5.500 4.260 3.933 4.610 . 0 0 "[ . 1 . 2]" 1
199 1 5 TYR QE 1 36 LEU MD1 3.150 . 4.500 3.969 3.789 4.145 . 0 0 "[ . 1 . 2]" 1
200 1 5 TYR QE 1 36 LEU HA 3.650 . 5.500 5.099 4.485 5.515 0.015 19 0 "[ . 1 . 2]" 1
201 1 5 TYR QE 1 36 LEU MD2 2.650 . 3.500 2.792 2.356 3.227 . 0 0 "[ . 1 . 2]" 1
202 1 6 GLY H 1 6 GLY HA2 2.650 . 3.500 2.888 2.867 2.921 . 0 0 "[ . 1 . 2]" 1
203 1 6 GLY H 1 6 GLY HA3 2.650 . 2.800 2.310 2.290 2.349 . 0 0 "[ . 1 . 2]" 1
204 1 6 GLY H 1 34 GLN HG3 3.650 . 5.500 3.642 3.478 3.800 . 0 0 "[ . 1 . 2]" 1
205 1 6 GLY H 1 35 CYS H 3.150 . 4.500 3.384 3.194 3.583 . 0 0 "[ . 1 . 2]" 1
206 1 6 GLY H 1 35 CYS HB2 2.650 . 3.500 3.044 2.890 3.299 . 0 0 "[ . 1 . 2]" 1
207 1 6 GLY H 1 36 LEU MD2 3.650 . 5.500 5.304 5.026 5.503 0.003 5 0 "[ . 1 . 2]" 1
208 1 6 GLY HA2 1 7 GLN H 3.150 . 4.500 2.342 2.256 2.460 . 0 0 "[ . 1 . 2]" 1
209 1 6 GLY HA2 1 7 GLN H 2.300 . 2.800 2.241 2.169 2.331 . 0 0 "[ . 1 . 2]" 1
210 1 6 GLY HA2 1 35 CYS H 3.650 . 5.500 3.728 3.533 3.855 . 0 0 "[ . 1 . 2]" 1
211 1 6 GLY HA2 1 7 GLN HB2 3.150 . 4.500 3.665 3.625 3.724 . 0 0 "[ . 1 . 2]" 1
212 1 6 GLY HA3 1 7 GLN H 2.650 . 3.500 2.825 2.653 2.944 . 0 0 "[ . 1 . 2]" 1
213 1 6 GLY HA3 1 35 CYS H 3.650 . 5.500 4.106 4.022 4.266 . 0 0 "[ . 1 . 2]" 1
214 1 7 GLN H 1 7 GLN HB2 2.650 . 3.500 2.571 2.460 2.702 . 0 0 "[ . 1 . 2]" 1
215 1 7 GLN H 1 7 GLN HB2 2.300 . 2.800 2.510 2.421 2.616 . 0 0 "[ . 1 . 2]" 1
216 1 7 GLN H 1 7 GLN HB3 2.650 . 3.500 2.553 2.438 2.666 . 0 0 "[ . 1 . 2]" 1
217 1 7 GLN H 1 7 GLN HG2 3.650 . 5.500 4.478 4.405 4.535 . 0 0 "[ . 1 . 2]" 1
218 1 7 GLN H 1 8 CYS H 3.150 . 4.500 4.333 4.253 4.406 . 0 0 "[ . 1 . 2]" 1
219 1 7 GLN H 1 32 TYR QE 3.650 . 4.500 4.419 3.859 4.549 0.049 19 0 "[ . 1 . 2]" 1
220 1 7 GLN HA 1 7 GLN HB2 2.650 . 3.500 2.507 2.434 2.556 . 0 0 "[ . 1 . 2]" 1
221 1 7 GLN HA 1 7 GLN HG2 2.650 . 3.500 3.056 2.948 3.189 . 0 0 "[ . 1 . 2]" 1
222 1 7 GLN HA 1 7 GLN HG2 3.150 . 4.500 3.003 2.906 3.123 . 0 0 "[ . 1 . 2]" 1
223 1 7 GLN HA 1 7 GLN HG3 2.650 . 3.500 2.564 2.479 2.659 . 0 0 "[ . 1 . 2]" 1
224 1 7 GLN HA 1 8 CYS H . . 2.800 2.117 2.072 2.188 . 0 0 "[ . 1 . 2]" 1
225 1 7 GLN HA 1 33 SER H 2.300 . 2.800 2.502 2.381 2.799 . 0 0 "[ . 1 . 2]" 1
226 1 7 GLN HA 1 9 GLY H 3.650 . 4.500 3.349 3.239 3.528 . 0 0 "[ . 1 . 2]" 1
227 1 7 GLN HA 1 33 SER HB2 3.150 . 4.500 3.333 3.050 3.819 . 0 0 "[ . 1 . 2]" 1
228 1 7 GLN HA 1 32 TYR QD 3.650 . 5.500 4.439 4.184 4.709 . 0 0 "[ . 1 . 2]" 1
229 1 7 GLN HA 1 32 TYR QD 3.650 . 5.500 4.640 4.311 4.899 . 0 0 "[ . 1 . 2]" 1
230 1 7 GLN HA 1 32 TYR QE 3.150 . 4.500 3.888 3.517 4.380 . 0 0 "[ . 1 . 2]" 1
231 1 7 GLN HA 1 33 SER HB3 3.650 . 5.500 5.265 5.102 5.430 . 0 0 "[ . 1 . 2]" 1
232 1 7 GLN HA 1 34 GLN HB2 3.150 . 4.500 3.734 3.407 4.082 . 0 0 "[ . 1 . 2]" 1
233 1 7 GLN HA 1 34 GLN HG3 3.150 . 4.500 4.270 3.850 4.493 . 0 0 "[ . 1 . 2]" 1
234 1 7 GLN HA 1 35 CYS H 3.150 . 4.500 3.892 3.635 4.049 . 0 0 "[ . 1 . 2]" 1
235 1 7 GLN HB2 1 7 GLN HE21 3.650 . 5.500 4.378 4.100 4.516 . 0 0 "[ . 1 . 2]" 1
236 1 7 GLN HB2 1 7 GLN HG2 2.650 . 3.500 3.014 3.002 3.053 . 0 0 "[ . 1 . 2]" 1
237 1 7 GLN HB2 1 7 GLN HG3 2.300 . 2.800 2.335 2.297 2.369 . 0 0 "[ . 1 . 2]" 1
238 1 7 GLN HB2 1 7 GLN HG3 2.300 . 2.800 2.188 2.161 2.211 . 0 0 "[ . 1 . 2]" 1
239 1 7 GLN HB2 1 8 CYS H 3.150 . 4.500 4.404 4.299 4.479 . 0 0 "[ . 1 . 2]" 1
240 1 7 GLN HB2 1 9 GLY H 3.150 . 4.500 4.128 3.993 4.331 . 0 0 "[ . 1 . 2]" 1
241 1 7 GLN HB2 1 32 TYR QD 3.150 . 4.500 3.579 3.346 3.743 . 0 0 "[ . 1 . 2]" 1
242 1 7 GLN HB2 1 32 TYR QE 2.650 . 2.800 2.590 2.077 2.824 0.024 4 0 "[ . 1 . 2]" 1
243 1 7 GLN HB2 1 33 SER H 3.150 . 4.500 3.732 3.607 3.792 . 0 0 "[ . 1 . 2]" 1
244 1 7 GLN HB3 1 7 GLN HE21 3.650 . 5.500 4.255 4.077 4.531 . 0 0 "[ . 1 . 2]" 1
245 1 7 GLN HB3 1 8 CYS H 3.650 . 5.500 4.286 4.235 4.358 . 0 0 "[ . 1 . 2]" 1
246 1 7 GLN HB3 1 9 GLY H 3.650 . 5.500 3.954 3.626 4.572 . 0 0 "[ . 1 . 2]" 1
247 1 7 GLN HB3 1 13 TYR QE 2.650 . 3.500 3.248 2.851 3.500 . 0 0 "[ . 1 . 2]" 1
248 1 7 GLN HE21 1 7 GLN HG2 2.650 . 3.500 2.514 2.250 2.986 . 0 0 "[ . 1 . 2]" 1
249 1 7 GLN HE21 1 7 GLN HG3 2.650 . 3.500 2.724 2.326 2.916 . 0 0 "[ . 1 . 2]" 1
250 1 7 GLN HE21 1 8 CYS H 3.650 . 5.500 4.729 4.290 5.036 . 0 0 "[ . 1 . 2]" 1
251 1 7 GLN HE21 1 10 GLY HA2 3.650 . 5.500 4.406 3.061 4.828 . 0 0 "[ . 1 . 2]" 1
252 1 7 GLN HE21 1 10 GLY HA3 3.150 . 4.500 2.991 1.800 3.513 0.000 13 0 "[ . 1 . 2]" 1
253 1 7 GLN HE21 1 13 TYR HB2 2.650 . 3.500 3.057 2.563 3.526 0.026 5 0 "[ . 1 . 2]" 1
254 1 7 GLN HE21 1 13 TYR HB3 3.150 . 4.500 3.628 3.107 4.504 0.004 1 0 "[ . 1 . 2]" 1
255 1 7 GLN HE21 1 13 TYR QD 3.150 . 4.500 3.816 3.089 4.548 0.048 19 0 "[ . 1 . 2]" 1
256 1 7 GLN HE21 1 13 TYR QE 3.650 . 5.500 4.584 4.265 4.929 . 0 0 "[ . 1 . 2]" 1
257 1 7 GLN HE21 1 32 TYR HA 3.150 . 4.500 2.888 2.197 3.547 . 0 0 "[ . 1 . 2]" 1
258 1 7 GLN HE21 1 33 SER H 2.650 . 3.500 3.180 2.750 3.494 . 0 0 "[ . 1 . 2]" 1
259 1 7 GLN HE22 1 10 GLY HA2 4.150 . 6.500 5.787 4.237 6.201 . 0 0 "[ . 1 . 2]" 1
260 1 7 GLN HE22 1 10 GLY HA2 3.650 . 5.500 4.499 3.898 4.922 . 0 0 "[ . 1 . 2]" 1
261 1 7 GLN HE22 1 10 GLY HA2 3.650 . 5.500 5.143 4.088 5.431 . 0 0 "[ . 1 . 2]" 1
262 1 7 GLN HE22 1 10 GLY HA3 3.150 . 4.500 4.164 2.575 4.533 0.033 3 0 "[ . 1 . 2]" 1
263 1 7 GLN HE22 1 13 TYR H 3.650 . 5.500 4.679 4.292 5.005 . 0 0 "[ . 1 . 2]" 1
264 1 7 GLN HE22 1 13 TYR HB2 2.650 . 3.500 3.148 2.611 3.520 0.020 1 0 "[ . 1 . 2]" 1
265 1 7 GLN HE22 1 32 TYR HA 3.150 . 4.500 3.633 3.456 3.820 . 0 0 "[ . 1 . 2]" 1
266 1 7 GLN HE22 1 32 TYR HB3 4.150 . 6.500 6.323 6.068 6.531 0.031 10 0 "[ . 1 . 2]" 1
267 1 7 GLN HG2 1 8 CYS H 2.650 . 3.500 3.489 3.300 3.523 0.023 18 0 "[ . 1 . 2]" 1
268 1 7 GLN HG2 1 8 CYS HA 3.650 . 5.500 4.709 4.378 4.972 . 0 0 "[ . 1 . 2]" 1
269 1 7 GLN HG2 1 9 GLY H 2.300 . 2.800 2.383 2.052 2.858 0.058 5 0 "[ . 1 . 2]" 1
270 1 7 GLN HG2 1 10 GLY H 3.650 . 4.500 2.977 2.697 3.158 . 0 0 "[ . 1 . 2]" 1
271 1 7 GLN HG2 1 13 TYR HB2 3.650 . 5.500 3.468 3.124 3.862 . 0 0 "[ . 1 . 2]" 1
272 1 7 GLN HG2 1 13 TYR QD 3.650 . 5.500 3.726 2.958 3.984 . 0 0 "[ . 1 . 2]" 1
273 1 7 GLN HG2 1 17 THR HA 3.150 . 4.500 3.834 3.788 3.864 . 0 0 "[ . 1 . 2]" 1
274 1 7 GLN HG3 1 32 TYR HA 2.300 . 2.800 2.595 2.468 2.742 . 0 0 "[ . 1 . 2]" 1
275 1 7 GLN HG3 1 32 TYR QD 3.150 . 4.500 2.934 2.360 3.308 . 0 0 "[ . 1 . 2]" 1
276 1 7 GLN HG3 1 32 TYR QE 3.150 . 4.500 3.503 3.143 3.926 . 0 0 "[ . 1 . 2]" 1
277 1 7 GLN HG3 1 33 SER H 2.650 . 3.500 2.154 1.947 2.257 . 0 0 "[ . 1 . 2]" 1
278 1 8 CYS H 1 8 CYS HB2 3.650 . 5.500 3.609 3.518 3.664 . 0 0 "[ . 1 . 2]" 1
279 1 8 CYS H 1 8 CYS HB2 3.150 . 4.500 3.331 3.232 3.490 . 0 0 "[ . 1 . 2]" 1
280 1 8 CYS H 1 8 CYS HB3 2.300 . 2.800 2.482 2.319 2.597 . 0 0 "[ . 1 . 2]" 1
281 1 8 CYS H 1 8 CYS HB3 2.300 . 2.800 2.386 2.292 2.510 . 0 0 "[ . 1 . 2]" 1
282 1 8 CYS H 1 9 GLY H 2.300 . 2.800 2.682 2.515 2.804 0.004 4 0 "[ . 1 . 2]" 1
283 1 8 CYS H 1 9 GLY HA3 3.150 . 4.500 4.242 4.181 4.342 . 0 0 "[ . 1 . 2]" 1
284 1 8 CYS H 1 13 TYR QD 3.150 . 4.500 4.168 4.073 4.245 . 0 0 "[ . 1 . 2]" 1
285 1 8 CYS H 1 13 TYR QE 3.650 . 5.500 5.001 4.701 5.335 . 0 0 "[ . 1 . 2]" 1
286 1 8 CYS H 1 17 THR HA 3.650 . 5.500 5.258 5.076 5.483 . 0 0 "[ . 1 . 2]" 1
287 1 8 CYS H 1 33 SER HB3 3.650 . 5.500 3.942 3.650 4.436 . 0 0 "[ . 1 . 2]" 1
288 1 8 CYS HA 1 8 CYS HB2 2.650 . 3.500 2.484 2.384 2.585 . 0 0 "[ . 1 . 2]" 1
289 1 8 CYS HA 1 8 CYS HB3 2.300 . 2.800 2.368 2.310 2.554 . 0 0 "[ . 1 . 2]" 1
290 1 8 CYS HA 1 9 GLY H 3.650 . 5.500 3.242 3.086 3.551 . 0 0 "[ . 1 . 2]" 1
291 1 8 CYS HA 1 9 GLY H 2.650 . 3.500 2.718 2.671 2.799 . 0 0 "[ . 1 . 2]" 1
292 1 8 CYS HA 1 17 THR HB 3.650 . 5.500 3.499 3.293 3.703 . 0 0 "[ . 1 . 2]" 1
293 1 8 CYS HA 1 13 TYR QE 3.650 . 4.500 4.058 3.692 4.388 . 0 0 "[ . 1 . 2]" 1
294 1 8 CYS HA 1 13 TYR QE 2.650 . 3.500 3.122 2.745 3.413 . 0 0 "[ . 1 . 2]" 1
295 1 8 CYS HA 1 17 THR MG 3.150 . 4.500 3.327 2.874 3.695 . 0 0 "[ . 1 . 2]" 1
296 1 8 CYS HB2 1 9 GLY H 3.650 . 5.500 4.101 3.300 4.335 . 0 0 "[ . 1 . 2]" 1
297 1 8 CYS HB2 1 13 TYR QE 4.150 . 6.500 6.108 5.540 6.513 0.013 11 0 "[ . 1 . 2]" 1
298 1 8 CYS HB2 1 17 THR MG 3.650 . 5.500 4.102 3.629 4.305 . 0 0 "[ . 1 . 2]" 1
299 1 8 CYS HB2 1 17 THR HA 3.150 . 4.500 3.230 2.269 3.641 . 0 0 "[ . 1 . 2]" 1
300 1 8 CYS HB2 1 17 THR HB 3.150 . 4.500 3.580 3.325 3.907 . 0 0 "[ . 1 . 2]" 1
301 1 8 CYS HB2 1 17 THR MG 3.650 . 5.500 4.404 3.793 4.658 . 0 0 "[ . 1 . 2]" 1
302 1 8 CYS HB2 1 25 CYS HB2 3.150 . 4.500 2.635 2.280 3.360 . 0 0 "[ . 1 . 2]" 1
303 1 8 CYS HB3 1 26 GLN H 3.150 . 4.500 3.648 3.535 3.898 . 0 0 "[ . 1 . 2]" 1
304 1 8 CYS HB3 1 34 GLN H 3.150 . 4.500 3.759 3.663 3.968 . 0 0 "[ . 1 . 2]" 1
305 1 8 CYS HB3 1 13 TYR QE 3.150 . 4.500 3.906 3.884 3.917 . 0 0 "[ . 1 . 2]" 1
306 1 8 CYS HB3 1 16 PRO HB2 3.650 . 5.500 5.229 5.100 5.370 . 0 0 "[ . 1 . 2]" 1
307 1 8 CYS HB3 1 17 THR HA 3.150 . 4.500 4.278 3.892 4.529 0.029 18 0 "[ . 1 . 2]" 1
308 1 8 CYS HB3 1 35 CYS H 3.650 . 5.500 3.445 3.140 3.900 . 0 0 "[ . 1 . 2]" 1
309 1 9 GLY H 1 9 GLY HA3 2.650 . 3.500 2.874 2.648 2.909 . 0 0 "[ . 1 . 2]" 1
310 1 9 GLY H 1 10 GLY H 3.150 . 4.500 3.094 2.545 3.557 . 0 0 "[ . 1 . 2]" 1
311 1 9 GLY H 1 17 THR MG 3.650 . 5.500 3.999 3.484 4.740 . 0 0 "[ . 1 . 2]" 1
312 1 9 GLY H 1 33 SER HB3 3.150 . 3.500 3.456 3.156 3.535 0.035 11 0 "[ . 1 . 2]" 1
313 1 9 GLY H 1 34 GLN H 3.650 . 5.500 4.231 4.069 4.310 . 0 0 "[ . 1 . 2]" 1
314 1 9 GLY H 1 33 SER HB2 2.300 . 2.800 2.602 1.934 2.825 0.025 13 0 "[ . 1 . 2]" 1
315 1 9 GLY HA2 1 10 GLY H . . 2.800 2.178 2.057 2.359 . 0 0 "[ . 1 . 2]" 1
316 1 9 GLY HA2 1 13 TYR HB2 3.150 . 4.500 3.495 3.099 4.141 . 0 0 "[ . 1 . 2]" 1
317 1 9 GLY HA2 1 13 TYR HB3 3.150 . 4.500 2.176 1.932 3.320 . 0 0 "[ . 1 . 2]" 1
318 1 9 GLY HA2 1 13 TYR QD 3.150 . 3.500 2.103 1.909 2.632 . 0 0 "[ . 1 . 2]" 1
319 1 9 GLY HA2 1 13 TYR QE 3.650 . 5.500 3.986 3.727 4.243 . 0 0 "[ . 1 . 2]" 1
320 1 9 GLY HA2 1 17 THR MG 3.150 . 4.500 2.832 2.277 3.762 . 0 0 "[ . 1 . 2]" 1
321 1 9 GLY HA3 1 10 GLY H 2.300 . 2.800 2.763 2.716 2.791 . 0 0 "[ . 1 . 2]" 1
322 1 9 GLY HA3 1 33 SER HB2 2.650 . 3.500 3.355 3.211 3.406 . 0 0 "[ . 1 . 2]" 1
323 1 9 GLY HA3 1 13 TYR HB3 3.150 . 4.500 3.448 2.814 3.961 . 0 0 "[ . 1 . 2]" 1
324 1 9 GLY HA3 1 33 SER HB2 2.650 . 3.500 3.465 3.358 3.511 0.011 16 0 "[ . 1 . 2]" 1
325 1 9 GLY HA3 1 13 TYR QD 3.150 . 4.500 3.224 2.564 3.903 . 0 0 "[ . 1 . 2]" 1
326 1 9 GLY HA3 1 17 THR MG 3.150 . 4.500 2.131 1.906 2.727 . 0 0 "[ . 1 . 2]" 1
327 1 10 GLY H 1 10 GLY HA3 2.650 . 3.500 2.352 2.305 2.383 . 0 0 "[ . 1 . 2]" 1
328 1 10 GLY H 1 11 ILE H 3.150 . 4.500 3.932 3.822 4.266 . 0 0 "[ . 1 . 2]" 1
329 1 10 GLY H 1 13 TYR HB2 3.150 . 4.500 2.741 2.152 3.170 . 0 0 "[ . 1 . 2]" 1
330 1 10 GLY H 1 13 TYR QD 3.650 . 5.500 3.457 2.295 3.814 . 0 0 "[ . 1 . 2]" 1
331 1 10 GLY HA2 1 11 ILE H 2.300 . 2.800 2.621 2.249 2.761 . 0 0 "[ . 1 . 2]" 1
332 1 10 GLY HA2 1 11 ILE H 2.300 . 2.800 2.401 2.165 2.472 . 0 0 "[ . 1 . 2]" 1
333 1 10 GLY HA2 1 11 ILE HG13 2.650 . 3.500 2.935 2.883 2.981 . 0 0 "[ . 1 . 2]" 1
334 1 10 GLY HA2 1 31 TYR QD 3.650 . 5.500 4.534 4.241 4.887 . 0 0 "[ . 1 . 2]" 1
335 1 10 GLY HA2 1 31 TYR HA 2.650 . 3.500 3.515 3.357 3.552 0.052 2 0 "[ . 1 . 2]" 1
336 1 10 GLY HA2 1 32 TYR H 3.650 . 5.500 5.270 5.130 5.477 . 0 0 "[ . 1 . 2]" 1
337 1 10 GLY HA3 1 11 ILE H 3.650 . 5.500 2.536 2.363 2.869 . 0 0 "[ . 1 . 2]" 1
338 1 10 GLY HA3 1 33 SER H 3.650 . 5.500 3.584 3.226 3.905 . 0 0 "[ . 1 . 2]" 1
339 1 10 GLY HA3 1 13 TYR HB2 3.650 . 5.500 4.125 3.022 4.636 . 0 0 "[ . 1 . 2]" 1
340 1 10 GLY HA3 1 13 TYR HB2 3.150 . 4.500 3.637 2.984 3.888 . 0 0 "[ . 1 . 2]" 1
341 1 10 GLY HA3 1 32 TYR H 3.650 . 5.500 4.382 4.126 5.514 0.014 5 0 "[ . 1 . 2]" 1
342 1 11 ILE H 1 13 TYR HB3 3.150 . 4.500 3.903 3.663 3.974 . 0 0 "[ . 1 . 2]" 1
343 1 11 ILE H 1 11 ILE HA 2.650 . 3.500 2.505 2.286 2.752 . 0 0 "[ . 1 . 2]" 1
344 1 11 ILE H 1 11 ILE HB 2.650 . 2.800 2.534 2.445 2.599 . 0 0 "[ . 1 . 2]" 1
345 1 11 ILE H 1 11 ILE MD 3.150 . 4.500 3.570 3.502 3.629 . 0 0 "[ . 1 . 2]" 1
346 1 11 ILE H 1 11 ILE HG12 2.650 . 3.500 3.087 2.910 3.187 . 0 0 "[ . 1 . 2]" 1
347 1 11 ILE H 1 11 ILE HG13 2.650 . 2.800 2.104 1.980 2.263 . 0 0 "[ . 1 . 2]" 1
348 1 11 ILE H 1 11 ILE MG 3.150 . 4.500 3.766 3.733 3.791 . 0 0 "[ . 1 . 2]" 1
349 1 11 ILE H 1 12 GLY H 3.650 . 5.500 4.440 4.322 4.506 . 0 0 "[ . 1 . 2]" 1
350 1 11 ILE H 1 13 TYR HB2 3.150 . 4.500 4.244 3.976 4.355 . 0 0 "[ . 1 . 2]" 1
351 1 11 ILE H 1 13 TYR HB3 3.650 . 5.500 4.532 4.259 4.656 . 0 0 "[ . 1 . 2]" 1
352 1 11 ILE H 1 31 TYR HA . . 2.800 1.965 1.799 2.421 0.001 4 0 "[ . 1 . 2]" 1
353 1 11 ILE H 1 31 TYR HB3 3.650 . 5.500 4.054 3.129 4.301 . 0 0 "[ . 1 . 2]" 1
354 1 11 ILE H 1 31 TYR QD 3.650 . 4.500 3.849 3.297 4.228 . 0 0 "[ . 1 . 2]" 1
355 1 11 ILE HA 1 11 ILE HB 2.650 . 3.500 3.036 3.029 3.045 . 0 0 "[ . 1 . 2]" 1
356 1 11 ILE HA 1 11 ILE MD 3.150 . 4.500 3.855 3.834 3.878 . 0 0 "[ . 1 . 2]" 1
357 1 11 ILE HA 1 11 ILE HG12 2.650 . 3.500 2.556 2.514 2.616 . 0 0 "[ . 1 . 2]" 1
358 1 11 ILE HA 1 11 ILE HG13 2.650 . 3.500 3.011 2.960 3.051 . 0 0 "[ . 1 . 2]" 1
359 1 11 ILE HA 1 11 ILE MG 2.300 . 2.800 2.442 2.389 2.494 . 0 0 "[ . 1 . 2]" 1
360 1 11 ILE HA 1 12 GLY H 2.300 . 2.800 2.152 2.102 2.222 . 0 0 "[ . 1 . 2]" 1
361 1 11 ILE HA 1 13 TYR H 2.650 . 3.500 3.077 2.930 3.216 . 0 0 "[ . 1 . 2]" 1
362 1 11 ILE HA 1 13 TYR H 3.150 . 4.500 3.604 3.278 3.799 . 0 0 "[ . 1 . 2]" 1
363 1 11 ILE HB 1 11 ILE MD 2.300 . 2.800 2.434 2.405 2.456 . 0 0 "[ . 1 . 2]" 1
364 1 11 ILE HB 1 11 ILE HG13 2.650 . 3.500 2.478 2.452 2.496 . 0 0 "[ . 1 . 2]" 1
365 1 11 ILE HB 1 11 ILE MG 2.300 . 2.800 2.126 2.111 2.141 . 0 0 "[ . 1 . 2]" 1
366 1 11 ILE HB 1 12 GLY H 3.650 . 5.500 4.341 4.238 4.400 . 0 0 "[ . 1 . 2]" 1
367 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.168 1.882 2.364 . 0 0 "[ . 1 . 2]" 1
368 1 11 ILE HB 1 31 TYR QE 2.650 . 3.500 2.789 2.536 3.067 . 0 0 "[ . 1 . 2]" 1
369 1 11 ILE HB 1 31 TYR HA 2.650 . 3.500 2.987 2.667 3.163 . 0 0 "[ . 1 . 2]" 1
370 1 11 ILE HB 1 31 TYR HB3 3.650 . 5.500 4.053 3.514 4.329 . 0 0 "[ . 1 . 2]" 1
371 1 11 ILE HB 1 31 TYR QD 3.150 . 3.500 2.610 1.982 3.239 . 0 0 "[ . 1 . 2]" 1
372 1 11 ILE HB 1 31 TYR QE 3.150 . 4.500 3.134 2.705 3.494 . 0 0 "[ . 1 . 2]" 1
373 1 11 ILE MD 1 11 ILE HG12 2.300 . 2.800 2.116 2.113 2.121 . 0 0 "[ . 1 . 2]" 1
374 1 11 ILE MD 1 11 ILE HG13 2.300 . 2.800 2.123 2.120 2.126 . 0 0 "[ . 1 . 2]" 1
375 1 11 ILE MD 1 11 ILE MG 2.300 . 2.800 1.948 1.904 1.988 . 0 0 "[ . 1 . 2]" 1
376 1 11 ILE MD 1 12 GLY H 3.650 . 5.500 5.299 5.157 5.406 . 0 0 "[ . 1 . 2]" 1
377 1 11 ILE MD 1 30 PRO HA 3.650 . 4.500 3.620 3.264 4.149 . 0 0 "[ . 1 . 2]" 1
378 1 11 ILE MD 1 30 PRO HB3 3.150 . 4.500 2.604 2.175 4.034 . 0 0 "[ . 1 . 2]" 1
379 1 11 ILE MD 1 31 TYR HA 3.650 . 5.500 4.010 3.182 4.423 . 0 0 "[ . 1 . 2]" 1
380 1 11 ILE MD 1 31 TYR QD 3.650 . 4.500 3.739 3.059 4.114 . 0 0 "[ . 1 . 2]" 1
381 1 11 ILE MD 1 31 TYR QE 3.150 . 4.500 3.431 2.675 3.801 . 0 0 "[ . 1 . 2]" 1
382 1 11 ILE HG12 1 12 GLY H 2.650 . 3.500 3.264 3.102 3.433 . 0 0 "[ . 1 . 2]" 1
383 1 11 ILE HG12 1 31 TYR QD 3.150 . 4.500 3.891 3.587 4.164 . 0 0 "[ . 1 . 2]" 1
384 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.981 2.770 3.111 . 0 0 "[ . 1 . 2]" 1
385 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.915 2.742 3.039 . 0 0 "[ . 1 . 2]" 1
386 1 11 ILE MG 1 12 GLY HA2 3.150 . 4.500 3.730 3.511 3.915 . 0 0 "[ . 1 . 2]" 1
387 1 11 ILE MG 1 12 GLY HA3 2.650 . 3.500 3.419 3.246 3.527 0.027 5 0 "[ . 1 . 2]" 1
388 1 11 ILE MG 1 31 TYR QD 2.650 . 3.500 3.177 2.485 3.551 0.051 1 0 "[ . 1 . 2]" 1
389 1 11 ILE MG 1 31 TYR QE 2.650 . 3.500 2.682 2.351 3.003 . 0 0 "[ . 1 . 2]" 1
390 1 11 ILE MG 1 31 TYR HA 3.150 . 4.500 4.483 4.186 4.574 0.074 5 0 "[ . 1 . 2]" 1
391 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 3.276 2.507 3.718 . 0 0 "[ . 1 . 2]" 1
392 1 11 ILE MG 1 31 TYR QE 2.650 . 3.500 2.691 2.354 3.019 . 0 0 "[ . 1 . 2]" 1
393 1 12 GLY H 1 12 GLY HA2 2.300 . 2.800 2.371 2.329 2.422 . 0 0 "[ . 1 . 2]" 1
394 1 12 GLY H 1 12 GLY HA3 2.650 . 3.500 2.922 2.902 2.941 . 0 0 "[ . 1 . 2]" 1
395 1 12 GLY H 1 13 TYR H 2.650 . 3.500 2.491 2.187 2.805 . 0 0 "[ . 1 . 2]" 1
396 1 12 GLY H 1 13 TYR HB2 3.150 . 4.500 3.843 3.742 4.041 . 0 0 "[ . 1 . 2]" 1
397 1 12 GLY H 1 14 SER HB3 3.650 . 5.500 4.912 4.668 5.138 . 0 0 "[ . 1 . 2]" 1
398 1 12 GLY HA2 1 13 TYR H 3.150 . 4.500 3.343 3.170 3.471 . 0 0 "[ . 1 . 2]" 1
399 1 12 GLY HA3 1 31 TYR QE 3.650 . 5.500 4.186 3.802 4.571 . 0 0 "[ . 1 . 2]" 1
400 1 13 TYR H 1 13 TYR HA 2.650 . 3.500 2.924 2.875 2.943 . 0 0 "[ . 1 . 2]" 1
401 1 13 TYR H 1 13 TYR HB3 2.300 . 2.800 2.589 2.459 2.736 . 0 0 "[ . 1 . 2]" 1
402 1 13 TYR HA 1 13 TYR HB2 2.650 . 3.500 2.519 2.491 2.555 . 0 0 "[ . 1 . 2]" 1
403 1 13 TYR HA 1 13 TYR HB2 2.300 . 2.800 2.226 2.208 2.246 . 0 0 "[ . 1 . 2]" 1
404 1 13 TYR HA 1 13 TYR HB3 2.650 . 3.500 3.029 3.014 3.039 . 0 0 "[ . 1 . 2]" 1
405 1 13 TYR HA 1 13 TYR QD 2.650 . 3.500 3.000 2.620 3.179 . 0 0 "[ . 1 . 2]" 1
406 1 13 TYR HA 1 13 TYR QE 3.650 . 5.500 3.977 3.875 4.066 . 0 0 "[ . 1 . 2]" 1
407 1 13 TYR HA 1 14 SER H 2.300 . 2.800 2.151 2.106 2.220 . 0 0 "[ . 1 . 2]" 1
408 1 13 TYR QB 1 13 TYR QD 2.300 . 2.800 2.143 2.128 2.157 . 0 0 "[ . 1 . 2]" 1
409 1 13 TYR HB2 1 13 TYR QD 2.650 . 3.500 2.369 2.231 2.508 . 0 0 "[ . 1 . 2]" 1
410 1 13 TYR HB2 1 14 SER H 3.150 . 4.500 4.411 4.270 4.513 0.013 7 0 "[ . 1 . 2]" 1
411 1 13 TYR HB3 1 13 TYR QD 2.300 . 2.800 2.464 2.318 2.698 . 0 0 "[ . 1 . 2]" 1
412 1 13 TYR QD 1 14 SER H 3.150 . 4.500 3.784 3.179 4.050 . 0 0 "[ . 1 . 2]" 1
413 1 13 TYR QD 1 15 GLY H 3.150 . 4.500 2.784 2.092 3.065 . 0 0 "[ . 1 . 2]" 1
414 1 13 TYR QD 1 17 THR MG 3.150 . 4.500 2.770 2.458 3.019 . 0 0 "[ . 1 . 2]" 1
415 1 13 TYR QE 1 14 SER H 3.650 . 5.500 4.310 4.010 4.605 . 0 0 "[ . 1 . 2]" 1
416 1 13 TYR QE 1 15 GLY HA3 3.150 . 4.500 3.107 2.445 3.682 . 0 0 "[ . 1 . 2]" 1
417 1 13 TYR QE 1 16 PRO HB2 3.150 . 4.500 3.657 3.529 3.792 . 0 0 "[ . 1 . 2]" 1
418 1 13 TYR QE 1 17 THR HA 3.650 . 5.500 3.986 3.421 4.456 . 0 0 "[ . 1 . 2]" 1
419 1 13 TYR QE 1 17 THR MG 2.650 . 3.500 3.451 3.129 3.534 0.034 16 0 "[ . 1 . 2]" 1
420 1 14 SER H 1 14 SER HB2 3.150 . 4.500 3.009 2.433 3.731 . 0 0 "[ . 1 . 2]" 1
421 1 14 SER H 1 14 SER HB3 3.150 . 4.500 3.445 3.042 3.776 . 0 0 "[ . 1 . 2]" 1
422 1 14 SER H 1 15 GLY H . . 3.500 2.373 1.945 2.688 . 0 0 "[ . 1 . 2]" 1
423 1 14 SER HA 1 14 SER HB2 2.650 . 2.800 2.770 2.520 2.960 0.160 20 0 "[ . 1 . 2]" 1
424 1 14 SER HA 1 14 SER HB3 2.300 . 2.800 2.388 2.317 2.479 . 0 0 "[ . 1 . 2]" 1
425 1 14 SER HB2 1 15 GLY H 3.650 . 5.500 4.036 3.630 4.395 . 0 0 "[ . 1 . 2]" 1
426 1 14 SER HB3 1 17 THR MG 3.150 . 4.500 3.621 3.273 3.895 . 0 0 "[ . 1 . 2]" 1
427 1 15 GLY H 1 15 GLY HA3 2.650 . 3.500 2.326 2.290 2.394 . 0 0 "[ . 1 . 2]" 1
428 1 15 GLY HA2 1 16 PRO HD2 2.650 . 3.500 3.402 2.926 3.542 0.042 2 0 "[ . 1 . 2]" 1
429 1 15 GLY HA2 1 16 PRO HD2 2.650 . 3.500 2.597 2.368 2.871 . 0 0 "[ . 1 . 2]" 1
430 1 15 GLY HA3 1 16 PRO HB2 3.150 . 4.500 3.856 3.763 3.911 . 0 0 "[ . 1 . 2]" 1
431 1 15 GLY HA3 1 16 PRO QG 3.150 . 4.500 3.867 3.741 3.979 . 0 0 "[ . 1 . 2]" 1
432 1 16 PRO HA 1 16 PRO HB3 2.300 . 2.800 2.290 2.266 2.307 . 0 0 "[ . 1 . 2]" 1
433 1 16 PRO HA 1 16 PRO HG2 3.150 . 4.500 3.895 3.839 3.954 . 0 0 "[ . 1 . 2]" 1
434 1 16 PRO HA 1 16 PRO QG 2.650 . 3.500 3.325 3.253 3.407 . 0 0 "[ . 1 . 2]" 1
435 1 16 PRO HA 1 16 PRO HG2 3.150 . 4.500 3.568 3.448 3.713 . 0 0 "[ . 1 . 2]" 1
436 1 16 PRO HA 1 17 THR H . . 2.800 2.155 2.108 2.360 . 0 0 "[ . 1 . 2]" 1
437 1 16 PRO HA 1 18 VAL H 3.150 . 4.500 3.527 3.244 3.792 . 0 0 "[ . 1 . 2]" 1
438 1 16 PRO HB2 1 16 PRO HD2 3.150 . 4.500 3.999 3.907 4.076 . 0 0 "[ . 1 . 2]" 1
439 1 16 PRO HB2 1 16 PRO HD3 3.150 . 4.500 3.938 3.833 4.007 . 0 0 "[ . 1 . 2]" 1
440 1 16 PRO HB2 1 16 PRO QG 2.300 . 2.800 2.177 2.167 2.192 . 0 0 "[ . 1 . 2]" 1
441 1 16 PRO HB3 1 16 PRO HD2 3.150 . 4.500 3.909 3.860 3.968 . 0 0 "[ . 1 . 2]" 1
442 1 16 PRO HB3 1 16 PRO HD3 3.150 . 4.500 3.070 2.861 3.272 . 0 0 "[ . 1 . 2]" 1
443 1 16 PRO HB3 1 16 PRO HG3 2.300 . 2.800 2.304 2.281 2.333 . 0 0 "[ . 1 . 2]" 1
444 1 16 PRO HB3 1 17 THR H 3.150 . 4.500 4.213 3.956 4.507 0.007 2 0 "[ . 1 . 2]" 1
445 1 16 PRO HD2 1 16 PRO HG2 2.300 . 2.800 2.285 2.255 2.335 . 0 0 "[ . 1 . 2]" 1
446 1 16 PRO HD2 1 16 PRO QG 2.300 . 2.800 2.171 2.157 2.192 . 0 0 "[ . 1 . 2]" 1
447 1 16 PRO HD2 1 16 PRO HG3 2.300 . 2.800 2.712 2.642 2.768 . 0 0 "[ . 1 . 2]" 1
448 1 16 PRO HD3 1 16 PRO HG2 2.650 . 3.500 2.970 2.936 3.006 . 0 0 "[ . 1 . 2]" 1
449 1 16 PRO HD3 1 16 PRO HG3 2.300 . 2.800 2.054 2.041 2.080 . 0 0 "[ . 1 . 2]" 1
450 1 16 PRO HG2 1 17 THR H 3.650 . 5.500 4.181 3.976 4.420 . 0 0 "[ . 1 . 2]" 1
451 1 17 THR H 1 17 THR HA 2.650 . 3.500 2.906 2.865 2.944 . 0 0 "[ . 1 . 2]" 1
452 1 17 THR H 1 17 THR MG 2.650 . 3.500 2.770 2.540 3.086 . 0 0 "[ . 1 . 2]" 1
453 1 17 THR H 1 18 VAL H 2.300 . 2.800 2.150 1.926 2.410 . 0 0 "[ . 1 . 2]" 1
454 1 17 THR H 1 18 VAL MG2 3.150 . 4.500 3.595 3.216 3.845 . 0 0 "[ . 1 . 2]" 1
455 1 17 THR HA 1 17 THR MG 2.650 . 3.500 2.249 2.198 2.297 . 0 0 "[ . 1 . 2]" 1
456 1 17 THR HA 1 18 VAL H 3.650 . 5.500 3.446 3.320 3.524 . 0 0 "[ . 1 . 2]" 1
457 1 17 THR HA 1 25 CYS H 4.150 . 6.500 6.042 5.940 6.152 . 0 0 "[ . 1 . 2]" 1
458 1 17 THR HA 1 25 CYS HB2 3.650 . 5.500 5.495 5.291 5.561 0.061 10 0 "[ . 1 . 2]" 1
459 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.148 2.135 2.155 . 0 0 "[ . 1 . 2]" 1
460 1 17 THR HB 1 18 VAL H 3.650 . 5.500 3.811 3.308 4.123 . 0 0 "[ . 1 . 2]" 1
461 1 17 THR MG 1 18 VAL H 3.650 . 5.500 4.141 3.956 4.286 . 0 0 "[ . 1 . 2]" 1
462 1 18 VAL H 1 18 VAL MG2 2.300 . 2.800 2.320 2.152 2.456 . 0 0 "[ . 1 . 2]" 1
463 1 18 VAL HA 1 18 VAL HB 2.650 . 3.500 3.036 3.024 3.043 . 0 0 "[ . 1 . 2]" 1
464 1 18 VAL HA 1 18 VAL QG 2.300 . 2.800 2.147 2.124 2.160 . 0 0 "[ . 1 . 2]" 1
465 1 18 VAL HA 1 19 CYS H 2.650 . 2.800 2.113 2.065 2.176 . 0 0 "[ . 1 . 2]" 1
466 1 18 VAL HB 1 19 CYS H 3.650 . 5.500 4.250 4.123 4.338 . 0 0 "[ . 1 . 2]" 1
467 1 18 VAL MG1 1 19 CYS H 2.650 . 3.500 2.881 2.638 3.025 . 0 0 "[ . 1 . 2]" 1
468 1 19 CYS H 1 19 CYS HA 2.650 . 3.500 2.859 2.839 2.890 . 0 0 "[ . 1 . 2]" 1
469 1 19 CYS H 1 19 CYS HB2 2.300 . 2.800 2.499 2.438 2.557 . 0 0 "[ . 1 . 2]" 1
470 1 19 CYS H 1 19 CYS HB3 3.150 . 4.500 3.574 3.548 3.603 . 0 0 "[ . 1 . 2]" 1
471 1 19 CYS H 1 20 ALA H 3.650 . 5.500 4.555 4.515 4.594 . 0 0 "[ . 1 . 2]" 1
472 1 19 CYS H 1 25 CYS HB2 3.650 . 5.500 4.094 3.765 4.477 . 0 0 "[ . 1 . 2]" 1
473 1 19 CYS HA 1 19 CYS HB2 2.300 . 2.800 2.742 2.678 2.793 . 0 0 "[ . 1 . 2]" 1
474 1 19 CYS HA 1 19 CYS HB3 2.650 . 3.500 2.416 2.393 2.441 . 0 0 "[ . 1 . 2]" 1
475 1 19 CYS HA 1 20 ALA H 2.300 . 2.800 2.258 2.165 2.342 . 0 0 "[ . 1 . 2]" 1
476 1 19 CYS HA 1 35 CYS HB3 2.650 . 3.500 2.876 2.851 2.895 . 0 0 "[ . 1 . 2]" 1
477 1 19 CYS HA 1 35 CYS HB2 3.150 . 4.500 4.145 4.037 4.236 . 0 0 "[ . 1 . 2]" 1
478 1 19 CYS HB2 1 20 ALA H 3.150 . 4.500 3.730 3.541 3.876 . 0 0 "[ . 1 . 2]" 1
479 1 19 CYS HB2 1 24 THR H 3.650 . 5.500 4.023 3.877 4.215 . 0 0 "[ . 1 . 2]" 1
480 1 19 CYS HB2 1 24 THR HA 2.650 . 3.500 3.278 2.859 3.489 . 0 0 "[ . 1 . 2]" 1
481 1 19 CYS HB2 1 25 CYS H 3.150 . 4.500 3.826 3.614 4.053 . 0 0 "[ . 1 . 2]" 1
482 1 19 CYS HB2 1 25 CYS HB2 3.650 . 5.500 4.253 4.097 4.660 . 0 0 "[ . 1 . 2]" 1
483 1 19 CYS HB2 1 35 CYS HB3 3.650 . 5.500 3.581 3.535 3.661 . 0 0 "[ . 1 . 2]" 1
484 1 19 CYS HB3 1 20 ALA H 2.650 . 3.500 2.669 2.487 2.851 . 0 0 "[ . 1 . 2]" 1
485 1 19 CYS HB3 1 23 THR MG 3.150 . 4.500 3.735 3.611 3.815 . 0 0 "[ . 1 . 2]" 1
486 1 19 CYS HB3 1 23 THR MG 3.650 . 5.500 4.003 3.834 4.107 . 0 0 "[ . 1 . 2]" 1
487 1 19 CYS HB3 1 24 THR H 3.650 . 5.500 4.637 4.411 4.791 . 0 0 "[ . 1 . 2]" 1
488 1 19 CYS HB3 1 24 THR HA 3.650 . 5.500 4.207 3.803 4.398 . 0 0 "[ . 1 . 2]" 1
489 1 19 CYS HB3 1 25 CYS H 3.650 . 5.500 4.802 4.536 4.968 . 0 0 "[ . 1 . 2]" 1
490 1 19 CYS HB3 1 25 CYS HB2 3.650 . 5.500 4.928 4.524 5.276 . 0 0 "[ . 1 . 2]" 1
491 1 19 CYS HB3 1 35 CYS H 3.650 . 5.500 5.432 5.387 5.510 0.010 8 0 "[ . 1 . 2]" 1
492 1 19 CYS HB3 1 35 CYS HA 3.650 . 5.500 4.042 3.929 4.228 . 0 0 "[ . 1 . 2]" 1
493 1 19 CYS HB3 1 35 CYS HB2 2.650 . 3.500 3.511 3.503 3.522 0.022 3 0 "[ . 1 . 2]" 1
494 1 19 CYS HB3 1 35 CYS HB3 2.650 . 3.500 2.183 2.092 2.305 . 0 0 "[ . 1 . 2]" 1
495 1 20 ALA H 1 20 ALA MB 2.300 . 2.800 2.221 2.202 2.246 . 0 0 "[ . 1 . 2]" 1
496 1 20 ALA H 1 21 SER H 3.650 . 5.500 4.612 4.563 4.651 . 0 0 "[ . 1 . 2]" 1
497 1 20 ALA H 1 35 CYS HB2 3.650 . 5.500 4.663 4.513 5.032 . 0 0 "[ . 1 . 2]" 1
498 1 20 ALA H 1 35 CYS HB3 3.150 . 4.500 4.139 3.954 4.485 . 0 0 "[ . 1 . 2]" 1
499 1 20 ALA HA 1 20 ALA MB 2.300 . 2.800 2.132 2.117 2.142 . 0 0 "[ . 1 . 2]" 1
500 1 20 ALA HA 1 21 SER H 2.650 . 2.800 2.298 2.214 2.387 . 0 0 "[ . 1 . 2]" 1
501 1 20 ALA MB 1 21 SER H 2.300 . 2.800 2.588 2.275 2.815 0.015 5 0 "[ . 1 . 2]" 1
502 1 20 ALA MB 1 21 SER QB 3.150 . 4.500 4.128 3.816 4.423 . 0 0 "[ . 1 . 2]" 1
503 1 20 ALA MB 1 23 THR MG 3.150 . 4.500 3.050 2.701 3.411 . 0 0 "[ . 1 . 2]" 1
504 1 20 ALA MB 1 35 CYS HB2 3.650 . 5.500 4.790 4.539 4.948 . 0 0 "[ . 1 . 2]" 1
505 1 21 SER H 1 21 SER QB 2.650 . 2.800 2.494 2.251 2.597 . 0 0 "[ . 1 . 2]" 1
506 1 21 SER HA 1 21 SER QB 2.650 . 2.800 2.295 2.173 2.408 . 0 0 "[ . 1 . 2]" 1
507 1 21 SER HA 1 22 GLY H 2.650 . 2.800 2.139 2.105 2.173 . 0 0 "[ . 1 . 2]" 1
508 1 21 SER HA 1 23 THR H . . 3.500 3.431 3.049 3.553 0.053 20 0 "[ . 1 . 2]" 1
509 1 21 SER QB 1 22 GLY H 3.150 . 4.500 3.412 3.142 3.814 . 0 0 "[ . 1 . 2]" 1
510 1 21 SER QB 1 23 THR H 3.650 . 5.500 4.766 4.579 4.894 . 0 0 "[ . 1 . 2]" 1
511 1 22 GLY H 1 22 GLY HA2 2.650 . 2.800 2.431 2.362 2.488 . 0 0 "[ . 1 . 2]" 1
512 1 22 GLY H 1 22 GLY HA3 2.650 . 3.500 2.939 2.919 2.951 . 0 0 "[ . 1 . 2]" 1
513 1 22 GLY H 1 23 THR H 2.650 . 3.500 2.297 2.173 2.488 . 0 0 "[ . 1 . 2]" 1
514 1 22 GLY H 1 23 THR MG 3.650 . 5.500 4.515 4.397 4.664 . 0 0 "[ . 1 . 2]" 1
515 1 22 GLY HA2 1 23 THR H 3.150 . 4.500 3.382 3.292 3.457 . 0 0 "[ . 1 . 2]" 1
516 1 22 GLY HA2 1 23 THR MG 3.650 . 5.500 4.475 4.339 4.620 . 0 0 "[ . 1 . 2]" 1
517 1 22 GLY HA3 1 23 THR H 2.650 . 3.500 3.133 2.974 3.312 . 0 0 "[ . 1 . 2]" 1
518 1 22 GLY HA3 1 23 THR MG 3.650 . 4.500 3.515 3.418 3.664 . 0 0 "[ . 1 . 2]" 1
519 1 23 THR H 1 23 THR HA 2.650 . 3.500 2.931 2.921 2.953 . 0 0 "[ . 1 . 2]" 1
520 1 23 THR H 1 23 THR HB 3.650 . 5.500 3.792 3.747 3.862 . 0 0 "[ . 1 . 2]" 1
521 1 23 THR H 1 23 THR MG 3.150 . 3.500 2.767 2.550 2.972 . 0 0 "[ . 1 . 2]" 1
522 1 23 THR H 1 24 THR H 3.650 . 5.500 4.442 4.372 4.490 . 0 0 "[ . 1 . 2]" 1
523 1 23 THR HA 1 23 THR HB 2.650 . 2.800 2.468 2.427 2.499 . 0 0 "[ . 1 . 2]" 1
524 1 23 THR HA 1 23 THR MG 2.650 . 3.500 2.384 2.345 2.447 . 0 0 "[ . 1 . 2]" 1
525 1 23 THR HA 1 24 THR H 2.300 . 2.800 2.272 2.205 2.363 . 0 0 "[ . 1 . 2]" 1
526 1 23 THR HA 1 24 THR MG 3.650 . 5.500 3.751 3.454 4.008 . 0 0 "[ . 1 . 2]" 1
527 1 23 THR HA 1 36 LEU H 3.150 . 4.500 4.328 4.140 4.498 . 0 0 "[ . 1 . 2]" 1
528 1 23 THR HA 1 35 CYS HB2 4.150 . 6.500 5.912 5.569 6.019 . 0 0 "[ . 1 . 2]" 1
529 1 23 THR HB 1 23 THR MG 2.300 . 2.800 2.129 2.117 2.136 . 0 0 "[ . 1 . 2]" 1
530 1 23 THR HB 1 24 THR H 2.300 . 2.800 2.779 2.632 2.822 0.022 1 0 "[ . 1 . 2]" 1
531 1 23 THR HB 1 35 CYS HA 3.150 . 4.500 3.763 3.436 3.915 . 0 0 "[ . 1 . 2]" 1
532 1 23 THR HB 1 35 CYS HB2 2.650 . 3.500 3.460 3.115 3.538 0.038 20 0 "[ . 1 . 2]" 1
533 1 23 THR HB 1 35 CYS HB3 2.650 . 3.500 2.322 1.971 2.462 . 0 0 "[ . 1 . 2]" 1
534 1 23 THR HB 1 36 LEU H 2.650 . 3.500 3.470 3.293 3.529 0.029 7 0 "[ . 1 . 2]" 1
535 1 23 THR MG 1 24 THR H 3.150 . 4.500 3.828 3.720 3.919 . 0 0 "[ . 1 . 2]" 1
536 1 23 THR MG 1 35 CYS HA 3.650 . 5.500 5.076 4.761 5.215 . 0 0 "[ . 1 . 2]" 1
537 1 23 THR MG 1 35 CYS HB2 3.150 . 4.500 3.945 3.504 4.099 . 0 0 "[ . 1 . 2]" 1
538 1 23 THR MG 1 36 LEU H 3.650 . 5.500 4.666 4.406 4.799 . 0 0 "[ . 1 . 2]" 1
539 1 24 THR H 1 24 THR HA 2.650 . 3.500 2.929 2.917 2.946 . 0 0 "[ . 1 . 2]" 1
540 1 24 THR H 1 24 THR HB 3.150 . 4.500 3.695 3.638 3.751 . 0 0 "[ . 1 . 2]" 1
541 1 24 THR H 1 24 THR MG 3.150 . 4.500 3.116 2.901 3.315 . 0 0 "[ . 1 . 2]" 1
542 1 24 THR H 1 25 CYS H 3.650 . 5.500 4.406 4.310 4.466 . 0 0 "[ . 1 . 2]" 1
543 1 24 THR H 1 26 GLN HE21 3.650 . 5.500 3.814 3.357 4.217 . 0 0 "[ . 1 . 2]" 1
544 1 24 THR H 1 35 CYS HA 3.150 . 4.500 3.937 3.770 4.097 . 0 0 "[ . 1 . 2]" 1
545 1 24 THR H 1 36 LEU H 2.650 . 2.800 2.780 2.674 2.836 0.036 11 0 "[ . 1 . 2]" 1
546 1 24 THR H 1 36 LEU QB 3.150 . 4.500 3.912 3.743 4.147 . 0 0 "[ . 1 . 2]" 1
547 1 24 THR HA 1 24 THR MG 2.650 . 3.500 2.263 2.204 2.316 . 0 0 "[ . 1 . 2]" 1
548 1 24 THR HA 1 25 CYS H 2.300 . 2.800 2.231 2.142 2.299 . 0 0 "[ . 1 . 2]" 1
549 1 24 THR HA 1 26 GLN HE21 3.650 . 5.500 4.431 4.205 4.857 . 0 0 "[ . 1 . 2]" 1
550 1 24 THR HB 1 24 THR MG 2.300 . 2.800 2.140 2.129 2.145 . 0 0 "[ . 1 . 2]" 1
551 1 24 THR HB 1 25 CYS H 2.650 . 3.500 2.987 2.670 3.246 . 0 0 "[ . 1 . 2]" 1
552 1 24 THR HB 1 25 CYS HB2 4.150 . 6.500 5.530 5.162 5.776 . 0 0 "[ . 1 . 2]" 1
553 1 24 THR HB 1 26 GLN HE21 3.650 . 5.500 2.991 2.308 4.013 . 0 0 "[ . 1 . 2]" 1
554 1 24 THR HB 1 26 GLN HG2 3.650 . 5.500 4.285 3.750 5.092 . 0 0 "[ . 1 . 2]" 1
555 1 24 THR MG 1 25 CYS H 3.150 . 4.500 3.624 3.339 3.879 . 0 0 "[ . 1 . 2]" 1
556 1 24 THR MG 1 25 CYS HA 3.650 . 5.500 5.229 5.159 5.283 . 0 0 "[ . 1 . 2]" 1
557 1 24 THR MG 1 26 GLN HE21 3.650 . 5.500 3.930 3.358 4.649 . 0 0 "[ . 1 . 2]" 1
558 1 24 THR MG 1 26 GLN HE22 3.650 . 5.500 4.034 3.682 4.401 . 0 0 "[ . 1 . 2]" 1
559 1 24 THR MG 1 36 LEU H 3.650 . 5.500 5.130 4.928 5.361 . 0 0 "[ . 1 . 2]" 1
560 1 25 CYS H 1 25 CYS HA 2.650 . 3.500 2.844 2.818 2.878 . 0 0 "[ . 1 . 2]" 1
561 1 25 CYS H 1 25 CYS HB2 2.300 . 2.800 2.629 2.534 2.774 . 0 0 "[ . 1 . 2]" 1
562 1 25 CYS H 1 25 CYS HB3 2.300 . 2.800 2.499 2.452 2.659 . 0 0 "[ . 1 . 2]" 1
563 1 25 CYS H 1 26 GLN H 3.150 . 4.500 4.020 3.913 4.077 . 0 0 "[ . 1 . 2]" 1
564 1 25 CYS H 1 35 CYS HA 3.650 . 5.500 4.139 3.625 4.331 . 0 0 "[ . 1 . 2]" 1
565 1 25 CYS HA 1 25 CYS HB2 2.650 . 3.500 2.462 2.423 2.534 . 0 0 "[ . 1 . 2]" 1
566 1 25 CYS HA 1 25 CYS HB3 2.650 . 3.500 3.028 3.010 3.040 . 0 0 "[ . 1 . 2]" 1
567 1 25 CYS HA 1 26 GLN H 2.300 . 2.800 2.122 2.027 2.157 . 0 0 "[ . 1 . 2]" 1
568 1 25 CYS HA 1 26 GLN HE21 3.150 . 4.500 3.957 3.787 4.510 0.010 8 0 "[ . 1 . 2]" 1
569 1 25 CYS HA 1 26 GLN HG3 3.150 . 4.500 3.723 3.673 3.774 . 0 0 "[ . 1 . 2]" 1
570 1 25 CYS HA 1 33 SER HB3 3.150 . 4.500 4.388 4.211 4.492 . 0 0 "[ . 1 . 2]" 1
571 1 25 CYS HA 1 35 CYS HA 2.650 . 3.500 2.229 1.847 2.353 . 0 0 "[ . 1 . 2]" 1
572 1 25 CYS HB2 1 26 GLN H 3.150 . 4.500 4.377 4.308 4.449 . 0 0 "[ . 1 . 2]" 1
573 1 25 CYS HB2 1 26 GLN H 3.150 . 4.500 4.240 4.112 4.316 . 0 0 "[ . 1 . 2]" 1
574 1 25 CYS HB2 1 35 CYS HA 3.650 . 5.500 4.175 3.445 4.349 . 0 0 "[ . 1 . 2]" 1
575 1 25 CYS HB3 1 26 GLN H 3.150 . 4.500 3.341 3.251 3.422 . 0 0 "[ . 1 . 2]" 1
576 1 25 CYS HB3 1 26 GLN H 3.650 . 5.500 4.273 4.121 4.345 . 0 0 "[ . 1 . 2]" 1
577 1 26 GLN H 1 28 LEU MD2 3.150 . 4.500 3.643 3.387 3.783 . 0 0 "[ . 1 . 2]" 1
578 1 26 GLN H 1 26 GLN HB2 2.300 . 2.800 2.410 2.320 2.467 . 0 0 "[ . 1 . 2]" 1
579 1 26 GLN H 1 26 GLN HB2 2.300 . 2.800 2.281 2.207 2.358 . 0 0 "[ . 1 . 2]" 1
580 1 26 GLN H 1 26 GLN HB3 2.650 . 3.500 3.488 3.414 3.520 0.020 8 0 "[ . 1 . 2]" 1
581 1 26 GLN H 1 26 GLN HB3 2.650 . 3.500 3.242 3.197 3.281 . 0 0 "[ . 1 . 2]" 1
582 1 26 GLN H 1 26 GLN HE22 3.650 . 5.500 4.810 4.337 5.030 . 0 0 "[ . 1 . 2]" 1
583 1 26 GLN H 1 26 GLN HG2 2.650 . 3.500 2.341 2.187 2.448 . 0 0 "[ . 1 . 2]" 1
584 1 26 GLN H 1 26 GLN HG3 3.150 . 3.500 3.473 3.168 3.553 0.053 16 0 "[ . 1 . 2]" 1
585 1 26 GLN H 1 27 VAL H 2.650 . 3.500 3.308 3.131 3.448 . 0 0 "[ . 1 . 2]" 1
586 1 26 GLN H 1 36 LEU MD1 2.650 . 3.500 3.415 3.115 3.556 0.056 19 0 "[ . 1 . 2]" 1
587 1 26 GLN H 1 28 LEU MD2 2.650 . 3.500 3.355 3.055 3.491 . 0 0 "[ . 1 . 2]" 1
588 1 26 GLN H 1 35 CYS H 3.150 . 4.500 3.658 3.636 3.691 . 0 0 "[ . 1 . 2]" 1
589 1 26 GLN H 1 36 LEU HG 3.150 . 4.500 3.028 2.849 3.187 . 0 0 "[ . 1 . 2]" 1
590 1 26 GLN HA 1 26 GLN HB2 2.650 . 3.500 3.020 3.011 3.026 . 0 0 "[ . 1 . 2]" 1
591 1 26 GLN HA 1 26 GLN HB3 2.300 . 2.800 2.445 2.400 2.476 . 0 0 "[ . 1 . 2]" 1
592 1 26 GLN HA 1 27 VAL H 2.300 . 2.800 2.149 2.094 2.203 . 0 0 "[ . 1 . 2]" 1
593 1 26 GLN HA 1 27 VAL MG1 3.650 . 5.500 4.935 4.797 5.053 . 0 0 "[ . 1 . 2]" 1
594 1 26 GLN HA 1 27 VAL MG2 3.150 . 4.500 3.718 3.492 3.886 . 0 0 "[ . 1 . 2]" 1
595 1 26 GLN HA 1 27 VAL MG2 3.150 . 4.500 3.569 3.380 3.699 . 0 0 "[ . 1 . 2]" 1
596 1 26 GLN HB2 1 28 LEU MD2 2.650 . 3.500 2.419 1.992 2.608 . 0 0 "[ . 1 . 2]" 1
597 1 26 GLN HB2 1 26 GLN HE22 3.650 . 5.500 5.326 5.295 5.349 . 0 0 "[ . 1 . 2]" 1
598 1 26 GLN HB2 1 26 GLN HG2 2.300 . 2.800 2.438 2.389 2.477 . 0 0 "[ . 1 . 2]" 1
599 1 26 GLN HB2 1 26 GLN HG3 2.650 . 3.500 2.409 2.358 2.443 . 0 0 "[ . 1 . 2]" 1
600 1 26 GLN HB2 1 28 LEU MD2 2.300 . 2.800 2.082 2.032 2.112 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLN HB2 1 28 LEU MD2 2.300 . 2.800 2.005 1.838 2.055 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLN HB3 1 26 GLN HE21 3.650 . 5.500 3.681 3.345 3.965 . 0 0 "[ . 1 . 2]" 1
603 1 26 GLN HB3 1 26 GLN HE22 3.650 . 5.500 4.690 4.549 4.799 . 0 0 "[ . 1 . 2]" 1
604 1 26 GLN HB3 1 26 GLN HG2 2.300 . 2.800 2.480 2.471 2.497 . 0 0 "[ . 1 . 2]" 1
605 1 26 GLN HB3 1 26 GLN HG3 2.650 . 3.500 2.436 2.392 2.467 . 0 0 "[ . 1 . 2]" 1
606 1 26 GLN HB3 1 27 VAL H 2.650 . 3.500 3.340 3.136 3.442 . 0 0 "[ . 1 . 2]" 1
607 1 26 GLN HB3 1 28 LEU MD2 2.650 . 3.500 2.656 2.398 2.906 . 0 0 "[ . 1 . 2]" 1
608 1 26 GLN HB3 1 36 LEU QB 3.150 . 4.500 3.839 3.725 3.950 . 0 0 "[ . 1 . 2]" 1
609 1 26 GLN HE21 1 26 GLN HG2 3.150 . 4.500 2.225 2.160 2.708 . 0 0 "[ . 1 . 2]" 1
610 1 26 GLN HE21 1 26 GLN HG3 3.150 . 4.500 2.857 2.232 2.949 . 0 0 "[ . 1 . 2]" 1
611 1 26 GLN HE21 1 35 CYS QB 4.150 . 6.500 6.406 5.905 6.585 0.085 8 0 "[ . 1 . 2]" 1
612 1 26 GLN HE21 1 36 LEU H 3.650 . 5.500 3.771 2.984 4.135 . 0 0 "[ . 1 . 2]" 1
613 1 26 GLN HE21 1 36 LEU QB 3.150 . 4.500 3.157 2.334 3.562 . 0 0 "[ . 1 . 2]" 1
614 1 26 GLN HE21 1 36 LEU MD1 3.150 . 4.500 4.421 3.817 4.529 0.029 3 0 "[ . 1 . 2]" 1
615 1 26 GLN HE22 1 26 GLN HG3 3.650 . 5.500 3.738 3.474 3.790 . 0 0 "[ . 1 . 2]" 1
616 1 26 GLN HE22 1 36 LEU QB 3.650 . 5.500 4.558 3.755 4.967 . 0 0 "[ . 1 . 2]" 1
617 1 26 GLN HG2 1 27 VAL H 3.150 . 4.500 3.856 3.753 3.954 . 0 0 "[ . 1 . 2]" 1
618 1 26 GLN HG2 1 35 CYS HA 3.650 . 5.500 3.932 3.466 4.228 . 0 0 "[ . 1 . 2]" 1
619 1 26 GLN HG3 1 27 VAL H 4.150 . 6.500 5.584 5.399 5.718 . 0 0 "[ . 1 . 2]" 1
620 1 26 GLN HG3 1 36 LEU QB 3.150 . 4.500 2.189 1.930 2.564 . 0 0 "[ . 1 . 2]" 1
621 1 26 GLN HG3 1 36 LEU MD1 3.150 . 4.500 2.074 1.951 2.286 . 0 0 "[ . 1 . 2]" 1
622 1 26 GLN HG3 1 36 LEU HG 3.650 . 5.500 3.536 3.093 3.866 . 0 0 "[ . 1 . 2]" 1
623 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.238 2.173 2.316 . 0 0 "[ . 1 . 2]" 1
624 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.089 1.943 2.172 . 0 0 "[ . 1 . 2]" 1
625 1 27 VAL H 1 27 VAL MG1 2.650 . 3.500 3.052 2.907 3.156 . 0 0 "[ . 1 . 2]" 1
626 1 27 VAL H 1 27 VAL MG2 2.300 . 2.800 2.220 2.093 2.311 . 0 0 "[ . 1 . 2]" 1
627 1 27 VAL H 1 33 SER HB3 3.150 . 4.500 3.773 3.540 4.062 . 0 0 "[ . 1 . 2]" 1
628 1 27 VAL HA 1 27 VAL HB 2.650 . 3.500 3.042 3.031 3.050 . 0 0 "[ . 1 . 2]" 1
629 1 27 VAL HA 1 27 VAL MG1 2.650 . 3.500 2.396 2.332 2.422 . 0 0 "[ . 1 . 2]" 1
630 1 27 VAL HA 1 27 VAL MG2 2.300 . 2.800 2.429 2.390 2.477 . 0 0 "[ . 1 . 2]" 1
631 1 27 VAL HA 1 28 LEU H 2.300 . 2.800 2.114 2.068 2.157 . 0 0 "[ . 1 . 2]" 1
632 1 27 VAL HA 1 28 LEU HB3 3.650 . 5.500 3.939 3.762 4.101 . 0 0 "[ . 1 . 2]" 1
633 1 27 VAL HA 1 28 LEU HG 3.650 . 4.500 4.018 3.821 4.200 . 0 0 "[ . 1 . 2]" 1
634 1 27 VAL HA 1 33 SER HA 2.650 . 3.500 2.259 2.074 2.478 . 0 0 "[ . 1 . 2]" 1
635 1 27 VAL HA 1 33 SER HB2 3.150 . 4.500 4.056 3.777 4.264 . 0 0 "[ . 1 . 2]" 1
636 1 27 VAL HA 1 34 GLN H 3.150 . 4.500 3.557 3.336 3.753 . 0 0 "[ . 1 . 2]" 1
637 1 27 VAL HB 1 27 VAL MG1 2.300 . 2.800 2.133 2.122 2.139 . 0 0 "[ . 1 . 2]" 1
638 1 27 VAL MG1 1 28 LEU H 2.300 . 2.800 2.818 2.747 2.851 0.051 20 0 "[ . 1 . 2]" 1
639 1 27 VAL MG1 1 28 LEU HA 3.650 . 5.500 4.239 4.096 4.382 . 0 0 "[ . 1 . 2]" 1
640 1 27 VAL MG1 1 29 ASN H 2.650 . 3.500 3.130 3.005 3.443 . 0 0 "[ . 1 . 2]" 1
641 1 27 VAL MG1 1 29 ASN HA 3.150 . 4.500 4.004 3.701 4.251 . 0 0 "[ . 1 . 2]" 1
642 1 27 VAL MG1 1 29 ASN QB 3.650 . 5.500 4.537 4.466 4.665 . 0 0 "[ . 1 . 2]" 1
643 1 27 VAL MG1 1 30 PRO HA 3.650 . 4.500 3.231 2.922 3.514 . 0 0 "[ . 1 . 2]" 1
644 1 27 VAL MG1 1 30 PRO HD3 3.650 . 5.500 4.781 4.490 5.050 . 0 0 "[ . 1 . 2]" 1
645 1 27 VAL MG1 1 32 TYR H 3.650 . 5.500 4.752 4.486 5.032 . 0 0 "[ . 1 . 2]" 1
646 1 27 VAL MG1 1 33 SER HA 3.650 . 4.500 3.705 3.339 3.952 . 0 0 "[ . 1 . 2]" 1
647 1 27 VAL MG1 1 33 SER HB3 3.650 . 5.500 3.880 3.591 4.234 . 0 0 "[ . 1 . 2]" 1
648 1 27 VAL MG1 1 34 GLN H 3.650 . 5.500 5.313 5.017 5.499 . 0 0 "[ . 1 . 2]" 1
649 1 27 VAL MG2 1 29 ASN H 3.150 . 4.500 4.274 4.212 4.331 . 0 0 "[ . 1 . 2]" 1
650 1 27 VAL MG2 1 29 ASN HA 3.650 . 5.500 5.491 5.401 5.538 0.038 5 0 "[ . 1 . 2]" 1
651 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.739 3.488 3.930 . 0 0 "[ . 1 . 2]" 1
652 1 27 VAL MG2 1 30 PRO HA 3.650 . 5.500 5.335 4.942 5.515 0.015 12 0 "[ . 1 . 2]" 1
653 1 27 VAL MG2 1 33 SER HB3 3.150 . 4.500 2.833 2.587 3.263 . 0 0 "[ . 1 . 2]" 1
654 1 28 LEU H 1 28 LEU HA 2.650 . 3.500 2.898 2.863 2.920 . 0 0 "[ . 1 . 2]" 1
655 1 28 LEU H 1 28 LEU MD1 3.650 . 5.500 3.708 3.586 3.820 . 0 0 "[ . 1 . 2]" 1
656 1 28 LEU H 1 28 LEU MD1 3.150 . 4.500 3.523 3.411 3.612 . 0 0 "[ . 1 . 2]" 1
657 1 28 LEU H 1 28 LEU HG 2.300 . 2.800 2.469 2.270 2.649 . 0 0 "[ . 1 . 2]" 1
658 1 28 LEU H 1 32 TYR QD 3.150 . 4.500 3.653 3.391 3.910 . 0 0 "[ . 1 . 2]" 1
659 1 28 LEU H 1 33 SER HA . . 2.800 2.124 1.951 2.351 . 0 0 "[ . 1 . 2]" 1
660 1 28 LEU HA 1 28 LEU HB2 2.650 . 3.500 3.016 3.008 3.025 . 0 0 "[ . 1 . 2]" 1
661 1 28 LEU HA 1 28 LEU HB3 2.650 . 3.500 2.379 2.355 2.404 . 0 0 "[ . 1 . 2]" 1
662 1 28 LEU HA 1 28 LEU MD1 3.150 . 4.500 3.871 3.833 3.894 . 0 0 "[ . 1 . 2]" 1
663 1 28 LEU HA 1 28 LEU MD2 2.650 . 3.500 2.115 2.031 2.168 . 0 0 "[ . 1 . 2]" 1
664 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.319 2.287 2.357 . 0 0 "[ . 1 . 2]" 1
665 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.027 1.931 2.152 . 0 0 "[ . 1 . 2]" 1
666 1 28 LEU HB2 1 29 ASN H 2.650 . 3.500 2.522 2.149 2.719 . 0 0 "[ . 1 . 2]" 1
667 1 28 LEU HB2 1 29 ASN HA 3.150 . 4.500 3.959 3.876 4.033 . 0 0 "[ . 1 . 2]" 1
668 1 28 LEU HB2 1 29 ASN QB 3.650 . 4.500 3.641 3.383 3.820 . 0 0 "[ . 1 . 2]" 1
669 1 28 LEU HB2 1 29 ASN HD21 3.650 . 5.500 2.490 2.075 3.700 . 0 0 "[ . 1 . 2]" 1
670 1 28 LEU HB2 1 29 ASN HD22 3.650 . 5.500 3.509 3.080 4.144 . 0 0 "[ . 1 . 2]" 1
671 1 28 LEU HB2 1 32 TYR QD 2.650 . 3.500 2.354 2.114 2.644 . 0 0 "[ . 1 . 2]" 1
672 1 28 LEU HB2 1 32 TYR QE 3.150 . 3.500 3.316 2.960 3.509 0.009 18 0 "[ . 1 . 2]" 1
673 1 28 LEU HB2 1 33 SER HA 3.150 . 4.500 3.680 3.347 4.115 . 0 0 "[ . 1 . 2]" 1
674 1 28 LEU HB2 1 33 SER HA 3.150 . 4.500 3.486 3.240 3.829 . 0 0 "[ . 1 . 2]" 1
675 1 28 LEU HB3 1 32 TYR QD 2.650 . 3.500 3.197 3.035 3.345 . 0 0 "[ . 1 . 2]" 1
676 1 28 LEU HB3 1 32 TYR QE 3.150 . 4.500 3.916 3.654 4.130 . 0 0 "[ . 1 . 2]" 1
677 1 28 LEU HB3 1 29 ASN QB 3.650 . 5.500 4.631 4.162 4.884 . 0 0 "[ . 1 . 2]" 1
678 1 28 LEU HB3 1 29 ASN HD21 3.150 . 4.500 2.915 2.236 3.993 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU HB3 1 29 ASN HD22 3.650 . 5.500 3.199 2.891 3.667 . 0 0 "[ . 1 . 2]" 1
680 1 28 LEU MD1 1 29 ASN HD21 3.650 . 5.500 3.751 3.499 4.195 . 0 0 "[ . 1 . 2]" 1
681 1 28 LEU MD1 1 32 TYR HB2 3.650 . 5.500 5.033 4.932 5.227 . 0 0 "[ . 1 . 2]" 1
682 1 28 LEU MD1 1 32 TYR HB3 3.650 . 5.500 4.195 4.021 4.387 . 0 0 "[ . 1 . 2]" 1
683 1 28 LEU MD1 1 32 TYR QD 2.650 . 3.500 2.260 1.989 2.605 . 0 0 "[ . 1 . 2]" 1
684 1 28 LEU MD1 1 32 TYR QE 2.650 . 3.500 1.979 1.876 2.100 . 0 0 "[ . 1 . 2]" 1
685 1 28 LEU MD1 1 33 SER HA 3.650 . 4.500 4.065 3.823 4.511 0.011 13 0 "[ . 1 . 2]" 1
686 1 28 LEU MD1 1 34 GLN H 3.650 . 5.500 3.679 3.417 4.083 . 0 0 "[ . 1 . 2]" 1
687 1 28 LEU MD1 1 34 GLN H 3.150 . 4.500 3.349 3.167 3.537 . 0 0 "[ . 1 . 2]" 1
688 1 28 LEU MD1 1 34 GLN HB2 2.300 . 2.800 2.193 2.136 2.244 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU MD1 1 34 GLN HE21 3.650 . 5.500 3.886 3.425 4.089 . 0 0 "[ . 1 . 2]" 1
690 1 28 LEU MD1 1 34 GLN HG3 3.150 . 4.500 3.519 3.357 3.695 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU MD2 1 29 ASN HD21 3.650 . 5.500 4.748 4.202 5.535 0.035 18 0 "[ . 1 . 2]" 1
692 1 28 LEU MD2 1 32 TYR QD 3.150 . 4.500 4.506 4.452 4.522 0.022 3 0 "[ . 1 . 2]" 1
693 1 28 LEU MD2 1 32 TYR QE 3.650 . 4.500 4.558 4.523 4.592 0.092 10 0 "[ . 1 . 2]" 1
694 1 28 LEU HG 1 33 SER HA 3.150 . 4.500 3.309 3.014 3.557 . 0 0 "[ . 1 . 2]" 1
695 1 28 LEU HG 1 34 GLN H 2.650 . 3.500 2.938 2.658 3.247 . 0 0 "[ . 1 . 2]" 1
696 1 29 ASN H 1 29 ASN HA 2.650 . 3.500 2.915 2.887 2.950 . 0 0 "[ . 1 . 2]" 1
697 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.679 2.550 2.768 . 0 0 "[ . 1 . 2]" 1
698 1 29 ASN H 1 29 ASN QB 2.650 . 3.500 2.446 2.314 2.566 . 0 0 "[ . 1 . 2]" 1
699 1 29 ASN H 1 29 ASN HD22 3.650 . 5.500 4.395 4.035 4.891 . 0 0 "[ . 1 . 2]" 1
700 1 29 ASN H 1 30 PRO HD2 3.650 . 5.500 5.088 5.037 5.149 . 0 0 "[ . 1 . 2]" 1
701 1 29 ASN H 1 30 PRO HD3 3.650 . 5.500 4.779 4.706 4.880 . 0 0 "[ . 1 . 2]" 1
702 1 29 ASN H 1 30 PRO HD3 3.150 . 4.500 3.878 3.765 3.973 . 0 0 "[ . 1 . 2]" 1
703 1 29 ASN H 1 32 TYR H 3.150 . 4.500 3.595 3.327 3.845 . 0 0 "[ . 1 . 2]" 1
704 1 29 ASN H 1 32 TYR HB3 3.150 . 4.500 3.324 2.879 3.640 . 0 0 "[ . 1 . 2]" 1
705 1 29 ASN HA 1 29 ASN QB 2.300 . 2.800 2.380 2.354 2.404 . 0 0 "[ . 1 . 2]" 1
706 1 29 ASN HA 1 29 ASN HD21 3.650 . 5.500 3.649 2.815 4.476 . 0 0 "[ . 1 . 2]" 1
707 1 29 ASN HA 1 30 PRO HD2 2.650 . 3.500 3.160 3.083 3.337 . 0 0 "[ . 1 . 2]" 1
708 1 29 ASN HA 1 30 PRO HD3 2.650 . 2.800 2.242 2.189 2.356 . 0 0 "[ . 1 . 2]" 1
709 1 29 ASN HA 1 30 PRO HG2 3.650 . 5.500 4.841 4.792 4.962 . 0 0 "[ . 1 . 2]" 1
710 1 29 ASN HA 1 32 TYR H 3.650 . 5.500 4.501 4.271 4.652 . 0 0 "[ . 1 . 2]" 1
711 1 29 ASN QB 1 29 ASN HD21 2.300 . 2.800 2.398 2.162 2.803 0.003 3 0 "[ . 1 . 2]" 1
712 1 29 ASN QB 1 29 ASN HD22 2.650 . 3.500 3.208 3.071 3.341 . 0 0 "[ . 1 . 2]" 1
713 1 29 ASN QB 1 30 PRO HB2 3.650 . 5.500 4.323 4.158 4.482 . 0 0 "[ . 1 . 2]" 1
714 1 29 ASN QB 1 30 PRO HD2 2.300 . 2.800 2.085 2.007 2.196 . 0 0 "[ . 1 . 2]" 1
715 1 29 ASN QB 1 30 PRO HD3 2.300 . 2.800 2.794 2.643 2.809 0.009 1 0 "[ . 1 . 2]" 1
716 1 29 ASN QB 1 30 PRO HG2 3.650 . 4.500 4.281 4.207 4.374 . 0 0 "[ . 1 . 2]" 1
717 1 29 ASN QB 1 31 TYR H 3.150 . 4.500 2.834 2.652 3.049 . 0 0 "[ . 1 . 2]" 1
718 1 29 ASN QB 1 31 TYR QD 3.150 . 4.500 4.155 3.695 4.532 0.032 1 0 "[ . 1 . 2]" 1
719 1 29 ASN QB 1 32 TYR H 3.650 . 5.500 2.064 1.797 2.330 0.003 20 0 "[ . 1 . 2]" 1
720 1 29 ASN HD21 1 30 PRO HD2 3.650 . 5.500 5.427 5.205 5.527 0.027 9 0 "[ . 1 . 2]" 1
721 1 29 ASN HD21 1 30 PRO HD3 4.150 . 6.500 5.501 4.914 5.808 . 0 0 "[ . 1 . 2]" 1
722 1 29 ASN HD21 1 32 TYR HB2 3.650 . 5.500 3.967 3.230 5.038 . 0 0 "[ . 1 . 2]" 1
723 1 29 ASN HD21 1 32 TYR HB3 2.650 . 3.500 2.376 1.797 3.353 0.003 19 0 "[ . 1 . 2]" 1
724 1 29 ASN HD21 1 32 TYR QD 3.650 . 5.500 2.646 1.930 3.307 . 0 0 "[ . 1 . 2]" 1
725 1 29 ASN HD21 1 32 TYR QE 3.650 . 5.500 4.841 4.226 5.363 . 0 0 "[ . 1 . 2]" 1
726 1 29 ASN HD22 1 32 TYR H 3.650 . 5.500 3.980 3.838 4.158 . 0 0 "[ . 1 . 2]" 1
727 1 29 ASN HD22 1 32 TYR HB3 3.150 . 4.500 3.613 3.285 3.929 . 0 0 "[ . 1 . 2]" 1
728 1 29 ASN HD22 1 32 TYR QD 2.650 . 3.500 3.415 2.770 3.544 0.044 7 0 "[ . 1 . 2]" 1
729 1 30 PRO HA 1 30 PRO HB3 2.300 . 2.800 2.311 2.295 2.334 . 0 0 "[ . 1 . 2]" 1
730 1 30 PRO HA 1 30 PRO HD2 3.150 . 4.500 3.916 3.898 3.928 . 0 0 "[ . 1 . 2]" 1
731 1 30 PRO HA 1 30 PRO HG2 3.650 . 4.500 3.905 3.864 3.949 . 0 0 "[ . 1 . 2]" 1
732 1 30 PRO HA 1 32 TYR H 3.650 . 5.500 4.753 4.565 4.848 . 0 0 "[ . 1 . 2]" 1
733 1 30 PRO HB2 1 30 PRO HD2 2.650 . 3.500 2.889 2.832 2.989 . 0 0 "[ . 1 . 2]" 1
734 1 30 PRO HB2 1 30 PRO HG3 2.650 . 3.500 3.001 2.987 3.010 . 0 0 "[ . 1 . 2]" 1
735 1 30 PRO HB2 1 31 TYR H 3.150 . 4.500 2.619 2.446 2.828 . 0 0 "[ . 1 . 2]" 1
736 1 30 PRO HB2 1 31 TYR QD 3.650 . 5.500 2.526 2.055 3.187 . 0 0 "[ . 1 . 2]" 1
737 1 30 PRO HB3 1 30 PRO HD3 3.650 . 5.500 4.074 4.042 4.091 . 0 0 "[ . 1 . 2]" 1
738 1 30 PRO HB3 1 30 PRO HG3 2.300 . 2.800 2.329 2.309 2.343 . 0 0 "[ . 1 . 2]" 1
739 1 30 PRO HB3 1 31 TYR QE 3.650 . 5.500 4.331 3.880 4.758 . 0 0 "[ . 1 . 2]" 1
740 1 30 PRO HD2 1 30 PRO HG2 2.300 . 2.800 2.314 2.298 2.338 . 0 0 "[ . 1 . 2]" 1
741 1 30 PRO HD2 1 30 PRO HG3 2.650 . 3.500 2.988 2.979 2.997 . 0 0 "[ . 1 . 2]" 1
742 1 30 PRO HD2 1 31 TYR H 3.650 . 4.500 2.840 2.652 3.010 . 0 0 "[ . 1 . 2]" 1
743 1 30 PRO HD2 1 31 TYR QD 3.150 . 4.500 3.516 3.093 3.983 . 0 0 "[ . 1 . 2]" 1
744 1 30 PRO HD3 1 30 PRO HG2 2.650 . 3.500 2.689 2.676 2.703 . 0 0 "[ . 1 . 2]" 1
745 1 30 PRO HD3 1 30 PRO HG3 2.650 . 3.500 2.326 2.311 2.342 . 0 0 "[ . 1 . 2]" 1
746 1 30 PRO HD3 1 31 TYR QD 3.650 . 5.500 5.125 4.678 5.505 0.005 10 0 "[ . 1 . 2]" 1
747 1 30 PRO HG2 1 31 TYR QD 3.650 . 5.500 3.955 3.466 4.469 . 0 0 "[ . 1 . 2]" 1
748 1 30 PRO HG2 1 31 TYR QE 3.650 . 5.500 4.059 3.475 4.771 . 0 0 "[ . 1 . 2]" 1
749 1 31 TYR H 1 31 TYR HA 2.650 . 3.500 2.939 2.926 2.965 . 0 0 "[ . 1 . 2]" 1
750 1 31 TYR H 1 31 TYR HB2 2.300 . 2.800 2.572 2.430 2.672 . 0 0 "[ . 1 . 2]" 1
751 1 31 TYR H 1 31 TYR HB3 3.150 . 4.500 3.700 3.648 3.762 . 0 0 "[ . 1 . 2]" 1
752 1 31 TYR H 1 31 TYR QD 2.650 . 3.500 2.420 2.143 2.769 . 0 0 "[ . 1 . 2]" 1
753 1 31 TYR H 1 31 TYR QE 3.650 . 5.500 4.504 4.323 4.747 . 0 0 "[ . 1 . 2]" 1
754 1 31 TYR H 1 32 TYR H 2.300 . 2.800 2.113 1.998 2.269 . 0 0 "[ . 1 . 2]" 1
755 1 31 TYR H 1 32 TYR HB3 3.650 . 5.500 4.608 4.383 4.886 . 0 0 "[ . 1 . 2]" 1
756 1 31 TYR HA 1 31 TYR HB2 2.650 . 3.500 3.030 3.009 3.044 . 0 0 "[ . 1 . 2]" 1
757 1 31 TYR HA 1 31 TYR HB3 2.300 . 2.800 2.455 2.399 2.523 . 0 0 "[ . 1 . 2]" 1
758 1 31 TYR HA 1 31 TYR QD 2.650 . 3.500 3.076 2.766 3.256 . 0 0 "[ . 1 . 2]" 1
759 1 31 TYR HA 1 31 TYR QE 3.650 . 5.500 4.768 4.628 4.868 . 0 0 "[ . 1 . 2]" 1
760 1 31 TYR HA 1 32 TYR H 3.150 . 4.500 3.488 3.458 3.504 . 0 0 "[ . 1 . 2]" 1
761 1 31 TYR HB2 1 31 TYR QD 2.300 . 2.800 2.483 2.335 2.645 . 0 0 "[ . 1 . 2]" 1
762 1 31 TYR HB2 1 31 TYR QE 3.150 . 4.500 4.438 4.375 4.477 . 0 0 "[ . 1 . 2]" 1
763 1 31 TYR HB2 1 32 TYR H 3.650 . 5.500 2.985 2.923 3.093 . 0 0 "[ . 1 . 2]" 1
764 1 31 TYR HB2 1 32 TYR H 2.650 . 3.500 2.580 2.527 2.648 . 0 0 "[ . 1 . 2]" 1
765 1 31 TYR HB3 1 31 TYR QD 2.300 . 2.800 2.353 2.267 2.448 . 0 0 "[ . 1 . 2]" 1
766 1 31 TYR HB3 1 32 TYR H 3.650 . 5.500 3.963 3.821 4.045 . 0 0 "[ . 1 . 2]" 1
767 1 32 TYR H 1 32 TYR HB2 3.150 . 3.500 2.824 2.755 2.892 . 0 0 "[ . 1 . 2]" 1
768 1 32 TYR H 1 32 TYR HB3 2.650 . 3.500 2.678 2.588 2.769 . 0 0 "[ . 1 . 2]" 1
769 1 32 TYR H 1 32 TYR QD 3.650 . 5.500 4.309 4.277 4.347 . 0 0 "[ . 1 . 2]" 1
770 1 32 TYR H 1 33 SER H 3.150 . 4.500 4.325 4.297 4.386 . 0 0 "[ . 1 . 2]" 1
771 1 32 TYR HA 1 32 TYR HB2 2.650 . 3.500 2.479 2.454 2.512 . 0 0 "[ . 1 . 2]" 1
772 1 32 TYR HA 1 32 TYR HB3 2.650 . 3.500 3.016 3.005 3.030 . 0 0 "[ . 1 . 2]" 1
773 1 32 TYR HA 1 32 TYR QD 2.650 . 3.500 2.417 2.227 2.635 . 0 0 "[ . 1 . 2]" 1
774 1 32 TYR HA 1 32 TYR QE 3.650 . 5.500 4.410 4.347 4.537 . 0 0 "[ . 1 . 2]" 1
775 1 32 TYR HA 1 33 SER H 2.300 . 2.800 2.085 2.054 2.112 . 0 0 "[ . 1 . 2]" 1
776 1 32 TYR HB2 1 32 TYR QD 2.300 . 2.800 2.564 2.473 2.657 . 0 0 "[ . 1 . 2]" 1
777 1 32 TYR HB2 1 32 TYR QE 3.150 . 4.500 4.456 4.432 4.488 . 0 0 "[ . 1 . 2]" 1
778 1 32 TYR HB3 1 32 TYR QD 2.300 . 2.800 2.317 2.277 2.353 . 0 0 "[ . 1 . 2]" 1
779 1 32 TYR HB3 1 33 SER H 3.150 . 4.500 4.267 4.238 4.293 . 0 0 "[ . 1 . 2]" 1
780 1 32 TYR QD 1 34 GLN HB2 3.650 . 4.500 4.104 3.688 4.427 . 0 0 "[ . 1 . 2]" 1
781 1 32 TYR QE 1 34 GLN H 3.650 . 5.500 5.089 4.572 5.486 . 0 0 "[ . 1 . 2]" 1
782 1 32 TYR QE 1 34 GLN HB2 2.650 . 3.500 2.822 2.126 3.422 . 0 0 "[ . 1 . 2]" 1
783 1 32 TYR QE 1 34 GLN HE21 3.150 . 4.500 3.735 3.106 4.348 . 0 0 "[ . 1 . 2]" 1
784 1 32 TYR QE 1 34 GLN HG3 3.650 . 5.500 4.502 3.907 5.090 . 0 0 "[ . 1 . 2]" 1
785 1 33 SER HA 1 33 SER HB3 2.300 . 2.800 2.449 2.434 2.468 . 0 0 "[ . 1 . 2]" 1
786 1 33 SER HA 1 34 GLN H . . 2.800 2.320 2.198 2.387 . 0 0 "[ . 1 . 2]" 1
787 1 33 SER HB3 1 34 GLN H 2.650 . 3.500 3.106 2.970 3.501 0.001 16 0 "[ . 1 . 2]" 1
788 1 34 GLN H 1 34 GLN HB2 2.300 . 2.800 2.447 2.375 2.559 . 0 0 "[ . 1 . 2]" 1
789 1 34 GLN H 1 34 GLN HB3 2.650 . 2.800 2.656 2.525 2.731 . 0 0 "[ . 1 . 2]" 1
790 1 34 GLN H 1 35 CYS H 3.650 . 5.500 3.874 3.827 3.903 . 0 0 "[ . 1 . 2]" 1
791 1 34 GLN HA 1 34 GLN HB2 2.650 . 3.500 2.383 2.344 2.452 . 0 0 "[ . 1 . 2]" 1
792 1 34 GLN HA 1 34 GLN HG3 2.650 . 3.500 2.659 2.582 2.723 . 0 0 "[ . 1 . 2]" 1
793 1 34 GLN HA 1 35 CYS H . . 3.500 2.182 2.154 2.211 . 0 0 "[ . 1 . 2]" 1
794 1 34 GLN HB2 1 34 GLN HE21 3.650 . 5.500 3.010 2.871 3.982 . 0 0 "[ . 1 . 2]" 1
795 1 34 GLN HB2 1 34 GLN HE22 3.650 . 5.500 3.869 3.768 4.418 . 0 0 "[ . 1 . 2]" 1
796 1 34 GLN HB2 1 34 GLN HG3 2.300 . 2.800 2.464 2.430 2.522 . 0 0 "[ . 1 . 2]" 1
797 1 34 GLN HB2 1 35 CYS H 3.150 . 4.500 4.055 3.958 4.200 . 0 0 "[ . 1 . 2]" 1
798 1 34 GLN HB3 1 34 GLN HE21 3.650 . 5.500 4.036 3.950 4.459 . 0 0 "[ . 1 . 2]" 1
799 1 34 GLN HB3 1 34 GLN HE22 3.650 . 5.500 4.465 4.396 4.694 . 0 0 "[ . 1 . 2]" 1
800 1 34 GLN HB3 1 35 CYS H 3.650 . 5.500 4.197 4.126 4.268 . 0 0 "[ . 1 . 2]" 1
801 1 34 GLN HB3 1 36 LEU HG 3.150 . 4.500 3.331 2.864 3.466 . 0 0 "[ . 1 . 2]" 1
802 1 34 GLN HE21 1 34 GLN HG2 2.650 . 3.500 3.416 2.992 3.463 . 0 0 "[ . 1 . 2]" 1
803 1 34 GLN HE21 1 34 GLN HG3 2.650 . 3.500 2.213 2.185 2.242 . 0 0 "[ . 1 . 2]" 1
804 1 34 GLN HE21 1 36 LEU MD2 3.150 . 4.500 4.384 3.487 4.516 0.016 1 0 "[ . 1 . 2]" 1
805 1 34 GLN HE22 1 34 GLN HG3 3.150 . 3.500 3.467 3.452 3.488 . 0 0 "[ . 1 . 2]" 1
806 1 34 GLN HE22 1 36 LEU MD2 3.150 . 4.500 4.054 3.256 4.234 . 0 0 "[ . 1 . 2]" 1
807 1 34 GLN HG2 1 35 CYS H 2.650 . 3.500 3.179 2.994 3.398 . 0 0 "[ . 1 . 2]" 1
808 1 34 GLN HG2 1 36 LEU MD1 2.650 . 3.500 3.492 3.341 3.529 0.029 13 0 "[ . 1 . 2]" 1
809 1 34 GLN HG2 1 36 LEU HG 3.150 . 3.500 2.296 2.180 2.389 . 0 0 "[ . 1 . 2]" 1
810 1 34 GLN HG3 1 35 CYS H 3.150 . 3.500 2.803 2.618 3.007 . 0 0 "[ . 1 . 2]" 1
811 1 34 GLN HG3 1 36 LEU HG 3.650 . 4.500 4.047 3.939 4.131 . 0 0 "[ . 1 . 2]" 1
812 1 35 CYS H 1 35 CYS HA 2.650 . 3.500 2.874 2.856 2.888 . 0 0 "[ . 1 . 2]" 1
813 1 35 CYS H 1 35 CYS HB2 2.650 . 3.500 2.633 2.532 2.697 . 0 0 "[ . 1 . 2]" 1
814 1 35 CYS H 1 35 CYS HB3 3.150 . 4.500 3.643 3.618 3.672 . 0 0 "[ . 1 . 2]" 1
815 1 35 CYS H 1 36 LEU HG 3.650 . 5.500 4.560 4.395 4.690 . 0 0 "[ . 1 . 2]" 1
816 1 35 CYS HA 1 35 CYS HB2 2.650 . 3.500 3.033 3.022 3.051 . 0 0 "[ . 1 . 2]" 1
817 1 35 CYS HA 1 35 CYS HB3 2.650 . 3.500 2.393 2.354 2.447 . 0 0 "[ . 1 . 2]" 1
818 1 35 CYS HA 1 36 LEU H . . 2.800 2.076 2.049 2.112 . 0 0 "[ . 1 . 2]" 1
819 1 35 CYS HA 1 36 LEU QB 3.650 . 4.500 4.312 4.257 4.394 . 0 0 "[ . 1 . 2]" 1
820 1 35 CYS HA 1 36 LEU MD1 3.650 . 5.500 5.228 5.006 5.340 . 0 0 "[ . 1 . 2]" 1
821 1 35 CYS HA 1 36 LEU HG 3.650 . 5.500 4.128 3.957 4.245 . 0 0 "[ . 1 . 2]" 1
822 1 35 CYS HB3 1 36 LEU H 3.650 . 5.500 3.472 3.360 3.613 . 0 0 "[ . 1 . 2]" 1
823 1 36 LEU H 1 36 LEU MD2 3.150 . 4.500 3.868 3.746 3.955 . 0 0 "[ . 1 . 2]" 1
824 1 36 LEU H 1 36 LEU HG 2.650 . 3.500 3.110 2.924 3.269 . 0 0 "[ . 1 . 2]" 1
825 1 36 LEU HA 1 36 LEU QB 2.300 . 2.800 2.384 2.359 2.409 . 0 0 "[ . 1 . 2]" 1
826 1 36 LEU HA 1 36 LEU MD1 3.150 . 4.500 3.875 3.845 3.929 . 0 0 "[ . 1 . 2]" 1
827 1 36 LEU HA 1 36 LEU MD2 2.300 . 2.800 2.052 1.989 2.156 . 0 0 "[ . 1 . 2]" 1
828 1 36 LEU QB 1 36 LEU MD1 2.300 . 2.800 2.104 2.084 2.122 . 0 0 "[ . 1 . 2]" 1
829 1 36 LEU QB 1 36 LEU MD2 2.300 . 2.800 2.291 2.249 2.344 . 0 0 "[ . 1 . 2]" 1
830 1 36 LEU QB 1 36 LEU HG 2.300 . 2.800 2.379 2.360 2.405 . 0 0 "[ . 1 . 2]" 1
831 1 36 LEU MD1 1 36 LEU HG 2.300 . 2.800 2.120 2.107 2.130 . 0 0 "[ . 1 . 2]" 1
832 1 36 LEU MD2 1 36 LEU HG 2.300 . 2.800 2.128 2.119 2.134 . 0 0 "[ . 1 . 2]" 1
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