NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651370 |
6u46   |
30657 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6u46
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 892
_Distance_constraint_stats_list.Viol_count 2035
_Distance_constraint_stats_list.Viol_total 3196.665
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0785
_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 PHE 7.394 0.240 9 0 "[ . 1 . 2]"
1 2 VAL 1.405 0.206 4 0 "[ . 1 . 2]"
1 3 ASN 0.703 0.165 1 0 "[ . 1 . 2]"
1 4 GLN 0.721 0.140 15 0 "[ . 1 . 2]"
1 5 HIS 5.740 0.227 14 0 "[ . 1 . 2]"
1 6 LEU 18.904 0.240 9 0 "[ . 1 . 2]"
1 7 CYS 1.922 0.066 4 0 "[ . 1 . 2]"
1 8 GLY 2.751 0.174 12 0 "[ . 1 . 2]"
1 9 SER 0.009 0.009 4 0 "[ . 1 . 2]"
1 10 HIS 6.591 0.146 20 0 "[ . 1 . 2]"
1 11 LEU 6.703 0.174 12 0 "[ . 1 . 2]"
1 12 VAL 1.532 0.098 7 0 "[ . 1 . 2]"
1 13 GLU 4.971 0.163 4 0 "[ . 1 . 2]"
1 14 ALA 3.597 0.163 4 0 "[ . 1 . 2]"
1 15 LEU 2.210 0.098 7 0 "[ . 1 . 2]"
1 16 TYR 9.183 0.166 7 0 "[ . 1 . 2]"
1 17 LEU 6.489 0.123 17 0 "[ . 1 . 2]"
1 18 VAL 1.249 0.054 10 0 "[ . 1 . 2]"
1 19 CYS 5.585 0.146 14 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 3.021 0.187 11 0 "[ . 1 . 2]"
1 22 ARG 0.602 0.100 8 0 "[ . 1 . 2]"
1 23 GLY 3.188 0.187 11 0 "[ . 1 . 2]"
1 24 PHE 25.510 0.290 6 0 "[ . 1 . 2]"
1 25 PHE 11.116 0.270 14 0 "[ . 1 . 2]"
1 26 TYR 4.714 0.148 11 0 "[ . 1 . 2]"
1 27 THR 0.249 0.065 11 0 "[ . 1 . 2]"
1 28 PRO 2.186 0.258 17 0 "[ . 1 . 2]"
1 29 ARG 3.472 0.284 15 0 "[ . 1 . 2]"
1 30 THR 3.587 0.290 19 0 "[ . 1 . 2]"
1 31 GLU 0.467 0.258 16 0 "[ . 1 . 2]"
1 32 GLU 3.083 0.290 19 0 "[ . 1 . 2]"
1 33 GLY 3.594 0.258 16 0 "[ . 1 . 2]"
1 34 SER 1.732 0.158 19 0 "[ . 1 . 2]"
1 35 ARG 6.084 0.253 7 0 "[ . 1 . 2]"
1 36 ARG 9.121 0.279 7 0 "[ . 1 . 2]"
1 37 SER 3.537 0.279 7 0 "[ . 1 . 2]"
1 38 ARG 0.921 0.174 11 0 "[ . 1 . 2]"
1 39 GLY 0.474 0.066 14 0 "[ . 1 . 2]"
1 40 ILE 4.132 0.132 11 0 "[ . 1 . 2]"
1 41 VAL 2.853 0.125 7 0 "[ . 1 . 2]"
1 42 GLU 0.279 0.064 7 0 "[ . 1 . 2]"
1 43 GLN 0.422 0.059 14 0 "[ . 1 . 2]"
1 44 CYS 5.356 0.155 12 0 "[ . 1 . 2]"
1 45 CYS 9.381 0.203 18 0 "[ . 1 . 2]"
1 46 ARG 1.696 0.091 5 0 "[ . 1 . 2]"
1 47 SER 1.896 0.118 5 0 "[ . 1 . 2]"
1 48 ILE 0.001 0.001 20 0 "[ . 1 . 2]"
1 49 CYS 1.502 0.130 10 0 "[ . 1 . 2]"
1 50 SER 0.985 0.067 2 0 "[ . 1 . 2]"
1 51 LEU 0.660 0.047 12 0 "[ . 1 . 2]"
1 52 TYR 2.971 0.117 14 0 "[ . 1 . 2]"
1 53 GLN 5.106 0.140 20 0 "[ . 1 . 2]"
1 54 LEU 7.739 0.204 4 0 "[ . 1 . 2]"
1 55 GLU 10.506 0.197 19 0 "[ . 1 . 2]"
1 56 ASN 2.860 0.076 6 0 "[ . 1 . 2]"
1 57 TYR 17.893 0.220 10 0 "[ . 1 . 2]"
1 58 CYS 13.874 0.290 6 0 "[ . 1 . 2]"
1 59 GLY 8.189 0.162 3 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 PHE HA 1 1 PHE HD2 4.000 . 4.500 3.773 2.216 4.672 0.172 18 0 "[ . 1 . 2]" 1
2 1 1 PHE HA 1 2 VAL H 3.000 . 3.500 2.572 2.165 3.563 0.063 19 0 "[ . 1 . 2]" 1
3 1 1 PHE HD1 1 17 LEU HB2 4.000 . 4.300 3.869 3.405 4.339 0.039 11 0 "[ . 1 . 2]" 1
4 1 1 PHE HD1 1 17 LEU MD2 4.000 . 5.500 3.132 2.602 3.972 . 0 0 "[ . 1 . 2]" 1
5 1 1 PHE HD2 1 4 GLN HG3 4.000 . 5.300 4.519 3.396 5.378 0.078 4 0 "[ . 1 . 2]" 1
6 1 1 PHE HD2 1 51 LEU MD2 3.000 . 4.300 3.430 2.835 3.663 . 0 0 "[ . 1 . 2]" 1
7 1 1 PHE HE1 1 17 LEU HB2 4.000 . 5.000 2.774 2.477 2.985 . 0 0 "[ . 1 . 2]" 1
8 1 1 PHE HE1 1 17 LEU HB3 3.000 . 4.000 3.771 3.643 3.881 . 0 0 "[ . 1 . 2]" 1
9 1 1 PHE HE2 1 6 LEU HB2 4.000 . 5.000 5.135 5.041 5.208 0.208 4 0 "[ . 1 . 2]" 1
10 1 1 PHE HE2 1 6 LEU HG 3.000 . 4.500 4.665 4.599 4.740 0.240 9 0 "[ . 1 . 2]" 1
11 1 1 PHE HE2 1 54 LEU MD1 3.000 . 4.000 2.273 2.032 2.435 . 0 0 "[ . 1 . 2]" 1
12 1 1 PHE HZ 1 6 LEU MD2 3.000 . 4.000 3.286 3.075 3.392 . 0 0 "[ . 1 . 2]" 1
13 1 1 PHE HZ 1 18 VAL MG1 4.000 . 5.000 4.179 4.147 4.253 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL H 1 2 VAL HA 3.000 . 3.400 2.819 2.359 2.985 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL H 1 2 VAL HB 3.000 . 4.000 3.559 2.707 3.987 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL H 1 2 VAL MG1 4.000 . 5.500 2.611 1.822 3.775 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL HA 1 2 VAL HB 2.500 . 2.800 2.578 2.309 3.006 0.206 4 0 "[ . 1 . 2]" 1
18 1 2 VAL HA 1 2 VAL MG1 3.000 . 4.000 2.353 2.216 3.157 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL HA 1 2 VAL MG2 3.000 . 3.700 3.081 2.507 3.196 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL HA 1 3 ASN H 3.000 . 3.400 3.011 2.686 3.490 0.090 13 0 "[ . 1 . 2]" 1
21 1 2 VAL HB 1 3 ASN H 3.000 . 3.500 1.981 1.740 3.522 0.060 12 0 "[ . 1 . 2]" 1
22 1 2 VAL MG1 1 3 ASN H 3.000 . 4.200 3.144 1.680 3.489 0.120 13 0 "[ . 1 . 2]" 1
23 1 2 VAL MG1 1 4 GLN HE21 4.000 . 5.500 4.072 1.815 4.590 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL MG1 1 4 GLN HE22 4.000 . 6.500 4.673 3.023 5.394 . 0 0 "[ . 1 . 2]" 1
25 1 2 VAL MG2 1 3 ASN H 3.000 . 3.900 2.592 1.635 3.458 0.165 1 0 "[ . 1 . 2]" 1
26 1 2 VAL MG2 1 4 GLN HE21 4.000 . 4.700 2.135 1.660 2.918 0.140 15 0 "[ . 1 . 2]" 1
27 1 2 VAL MG2 1 4 GLN HE22 4.000 . 5.500 2.960 2.236 4.368 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL MG2 1 4 GLN HG2 3.000 . 4.000 2.787 2.223 3.278 . 0 0 "[ . 1 . 2]" 1
29 1 3 ASN H 1 3 ASN HA 2.500 . 3.200 2.947 2.792 3.008 . 0 0 "[ . 1 . 2]" 1
30 1 3 ASN H 1 3 ASN QB 3.000 . 3.900 2.712 2.273 3.513 . 0 0 "[ . 1 . 2]" 1
31 1 3 ASN HA 1 3 ASN QB 2.500 . 3.100 2.327 2.193 2.467 . 0 0 "[ . 1 . 2]" 1
32 1 3 ASN HA 1 4 GLN HG2 4.000 . 5.000 3.998 3.429 4.680 . 0 0 "[ . 1 . 2]" 1
33 1 3 ASN HA 1 48 ILE MG 4.000 . 5.500 2.736 2.254 3.333 . 0 0 "[ . 1 . 2]" 1
34 1 3 ASN QB 1 3 ASN HD21 3.000 . 3.700 2.398 2.210 2.962 . 0 0 "[ . 1 . 2]" 1
35 1 3 ASN QB 1 48 ILE MG 4.000 . 5.200 3.001 2.162 3.821 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLN H 1 4 GLN HA 3.000 . 3.200 2.939 2.877 3.005 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLN HA 1 4 GLN HB2 3.000 . 3.500 2.622 2.451 3.020 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLN HA 1 4 GLN HB3 2.500 . 2.800 2.391 2.326 2.487 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLN HA 1 4 GLN HG3 4.000 . 6.000 3.710 3.359 3.830 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLN HA 1 5 HIS H 2.500 . 2.900 2.446 2.236 2.595 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLN HA 1 48 ILE MD 3.000 . 4.000 2.916 2.434 3.201 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLN HA 1 48 ILE MG 4.000 . 5.500 3.499 2.551 3.943 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLN HB2 1 4 GLN HE21 4.000 . 5.000 4.050 3.015 4.533 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLN HB2 1 4 GLN HE22 4.000 . 5.000 4.441 4.010 4.790 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLN HB2 1 5 HIS H 3.000 . 3.500 2.617 2.163 3.326 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLN HB3 1 4 GLN HE21 4.000 . 5.000 3.329 1.793 4.406 0.007 19 0 "[ . 1 . 2]" 1
47 1 4 GLN HB3 1 4 GLN HE22 4.000 . 5.000 4.052 3.331 4.571 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLN HB3 1 5 HIS H 3.000 . 4.000 3.550 2.383 4.003 0.003 6 0 "[ . 1 . 2]" 1
49 1 4 GLN HE21 1 4 GLN HG3 3.000 . 4.000 3.266 2.266 3.615 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLN HE22 1 4 GLN HG2 3.000 . 3.800 3.600 3.511 3.898 0.098 18 0 "[ . 1 . 2]" 1
51 1 4 GLN HE22 1 4 GLN HG3 4.000 . 5.000 3.952 3.511 4.120 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLN HG2 1 5 HIS H 4.000 . 6.000 4.743 4.488 5.103 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLN HG3 1 5 HIS H 4.000 . 5.000 4.096 3.532 5.020 0.020 20 0 "[ . 1 . 2]" 1
54 1 5 HIS H 1 5 HIS HA 3.000 . 3.200 2.926 2.862 2.969 . 0 0 "[ . 1 . 2]" 1
55 1 5 HIS H 1 5 HIS HB2 3.000 . 3.500 3.206 2.502 3.551 0.051 2 0 "[ . 1 . 2]" 1
56 1 5 HIS H 1 5 HIS HB3 3.000 . 3.600 3.377 2.960 3.639 0.039 4 0 "[ . 1 . 2]" 1
57 1 5 HIS H 1 5 HIS HE1 4.000 . 5.500 4.555 4.354 5.588 0.088 16 0 "[ . 1 . 2]" 1
58 1 5 HIS H 1 6 LEU H 3.000 . 4.500 4.543 4.459 4.638 0.138 6 0 "[ . 1 . 2]" 1
59 1 5 HIS H 1 48 ILE MD 4.000 . 5.500 4.062 3.476 4.483 . 0 0 "[ . 1 . 2]" 1
60 1 5 HIS H 1 48 ILE MG 4.000 . 5.800 4.339 3.625 4.661 . 0 0 "[ . 1 . 2]" 1
61 1 5 HIS HA 1 5 HIS HB2 3.000 . 3.300 2.854 2.647 3.035 . 0 0 "[ . 1 . 2]" 1
62 1 5 HIS HA 1 5 HIS HB3 2.500 . 3.000 2.326 2.277 2.460 . 0 0 "[ . 1 . 2]" 1
63 1 5 HIS HA 1 6 LEU H 3.000 . 3.400 2.192 2.154 2.301 . 0 0 "[ . 1 . 2]" 1
64 1 5 HIS HA 1 6 LEU MD1 4.000 . 6.500 3.393 3.188 3.578 . 0 0 "[ . 1 . 2]" 1
65 1 5 HIS HA 1 48 ILE H 4.000 . 5.000 4.651 4.439 4.807 . 0 0 "[ . 1 . 2]" 1
66 1 5 HIS HA 1 48 ILE MD 4.000 . 5.500 4.496 4.276 4.614 . 0 0 "[ . 1 . 2]" 1
67 1 5 HIS HA 1 48 ILE MG 4.000 . 5.000 3.573 2.980 3.813 . 0 0 "[ . 1 . 2]" 1
68 1 5 HIS HB2 1 5 HIS HE1 4.000 . 5.000 4.751 4.722 5.159 0.159 16 0 "[ . 1 . 2]" 1
69 1 5 HIS HB2 1 6 LEU H 3.000 . 4.200 3.643 2.784 4.176 . 0 0 "[ . 1 . 2]" 1
70 1 5 HIS HB2 1 45 CYS HA 4.000 . 5.000 3.303 2.763 4.207 . 0 0 "[ . 1 . 2]" 1
71 1 5 HIS HB2 1 47 SER HA 4.000 . 6.000 6.006 5.570 6.118 0.118 5 0 "[ . 1 . 2]" 1
72 1 5 HIS HB3 1 5 HIS HE1 4.000 . 5.000 5.159 4.728 5.227 0.227 14 0 "[ . 1 . 2]" 1
73 1 5 HIS HB3 1 6 LEU H 4.000 . 5.000 3.672 2.862 4.028 . 0 0 "[ . 1 . 2]" 1
74 1 5 HIS HB3 1 45 CYS HA 4.000 . 6.000 3.531 2.705 4.296 . 0 0 "[ . 1 . 2]" 1
75 1 5 HIS HD2 1 48 ILE MD 4.000 . 4.800 3.148 2.636 3.727 . 0 0 "[ . 1 . 2]" 1
76 1 5 HIS HD2 1 48 ILE HG12 4.000 . 5.000 2.754 2.342 3.539 . 0 0 "[ . 1 . 2]" 1
77 1 5 HIS HD2 1 48 ILE MG 4.000 . 5.500 4.334 3.973 4.533 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU H 1 6 LEU HA 3.000 . 3.400 2.975 2.948 3.010 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU H 1 6 LEU HB2 3.000 . 4.000 2.197 2.138 2.379 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU H 1 6 LEU HB3 3.000 . 4.000 3.460 3.435 3.523 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU H 1 6 LEU MD1 3.000 . 4.500 2.559 2.380 2.866 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU H 1 6 LEU MD2 4.000 . 5.500 3.824 3.728 4.084 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU H 1 6 LEU HG 4.000 . 5.000 4.410 4.275 4.583 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU H 1 7 CYS H 3.000 . 4.500 4.410 4.277 4.466 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU H 1 44 CYS HA 3.000 . 4.200 4.228 4.178 4.286 0.086 10 0 "[ . 1 . 2]" 1
86 1 6 LEU H 1 45 CYS HA 3.000 . 3.500 2.884 2.504 3.068 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU H 1 45 CYS HB2 4.000 . 5.000 4.827 4.498 4.972 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU H 1 48 ILE HA 4.000 . 4.600 3.972 3.838 4.128 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU HA 1 6 LEU HB2 3.000 . 3.500 2.980 2.975 2.984 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU HA 1 6 LEU HB3 2.500 . 3.000 2.721 2.699 2.734 . 0 0 "[ . 1 . 2]" 1
91 1 6 LEU HA 1 6 LEU MD1 4.000 . 5.500 2.183 2.166 2.214 . 0 0 "[ . 1 . 2]" 1
92 1 6 LEU HA 1 6 LEU HG 4.000 . 5.000 2.600 2.560 2.629 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU HA 1 7 CYS H 2.500 . 2.900 2.223 2.209 2.231 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU HA 1 10 HIS HB2 3.000 . 4.000 3.808 3.730 3.892 . 0 0 "[ . 1 . 2]" 1
95 1 6 LEU HA 1 10 HIS HB3 3.000 . 4.000 2.388 2.335 2.521 . 0 0 "[ . 1 . 2]" 1
96 1 6 LEU HB2 1 6 LEU MD1 3.000 . 3.700 2.458 2.416 2.487 . 0 0 "[ . 1 . 2]" 1
97 1 6 LEU HB2 1 7 CYS H 4.000 . 5.000 4.558 4.543 4.569 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU HB2 1 11 LEU HA 3.000 . 4.000 3.709 3.684 3.757 . 0 0 "[ . 1 . 2]" 1
99 1 6 LEU HB2 1 11 LEU MD1 3.000 . 4.000 2.902 2.834 2.974 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU HB2 1 44 CYS H 4.000 . 5.500 5.626 5.581 5.655 0.155 12 0 "[ . 1 . 2]" 1
101 1 6 LEU HB2 1 45 CYS H 3.000 . 4.300 4.475 4.455 4.503 0.203 18 0 "[ . 1 . 2]" 1
102 1 6 LEU HB2 1 54 LEU MD1 4.000 . 5.000 4.010 3.993 4.036 . 0 0 "[ . 1 . 2]" 1
103 1 6 LEU HB3 1 6 LEU MD1 3.000 . 3.700 3.207 3.204 3.209 . 0 0 "[ . 1 . 2]" 1
104 1 6 LEU HB3 1 10 HIS H 4.000 . 5.600 5.699 5.677 5.735 0.135 9 0 "[ . 1 . 2]" 1
105 1 6 LEU HB3 1 10 HIS HB3 4.000 . 5.000 3.573 3.509 3.677 . 0 0 "[ . 1 . 2]" 1
106 1 6 LEU HB3 1 11 LEU H 3.000 . 4.000 3.619 3.543 3.730 . 0 0 "[ . 1 . 2]" 1
107 1 6 LEU HB3 1 11 LEU HA 2.500 . 2.700 2.259 2.230 2.279 . 0 0 "[ . 1 . 2]" 1
108 1 6 LEU HB3 1 11 LEU HB2 2.500 . 2.700 2.546 2.491 2.608 . 0 0 "[ . 1 . 2]" 1
109 1 6 LEU HB3 1 14 ALA MB 4.000 . 5.000 3.940 3.885 4.014 . 0 0 "[ . 1 . 2]" 1
110 1 6 LEU HB3 1 44 CYS HB2 3.000 . 4.000 4.009 3.968 4.038 0.038 14 0 "[ . 1 . 2]" 1
111 1 6 LEU HB3 1 44 CYS HB3 3.000 . 4.000 3.361 3.272 3.417 . 0 0 "[ . 1 . 2]" 1
112 1 6 LEU HB3 1 45 CYS HB2 3.000 . 4.700 4.855 4.828 4.884 0.184 6 0 "[ . 1 . 2]" 1
113 1 6 LEU MD1 1 11 LEU HA 4.000 . 5.500 4.163 4.138 4.199 . 0 0 "[ . 1 . 2]" 1
114 1 6 LEU MD1 1 14 ALA H 4.000 . 6.500 5.347 5.302 5.408 . 0 0 "[ . 1 . 2]" 1
115 1 6 LEU MD1 1 14 ALA MB 3.000 . 4.500 3.125 3.101 3.164 . 0 0 "[ . 1 . 2]" 1
116 1 6 LEU MD2 1 11 LEU HA 3.000 . 3.500 2.225 2.188 2.241 . 0 0 "[ . 1 . 2]" 1
117 1 6 LEU MD2 1 11 LEU MD1 3.000 . 3.800 2.127 2.078 2.162 . 0 0 "[ . 1 . 2]" 1
118 1 6 LEU MD2 1 14 ALA H 4.000 . 5.000 3.898 3.814 3.923 . 0 0 "[ . 1 . 2]" 1
119 1 6 LEU MD2 1 14 ALA MB 2.500 . 3.000 1.831 1.799 1.839 0.001 10 0 "[ . 1 . 2]" 1
120 1 6 LEU MD2 1 15 LEU H 4.000 . 5.000 3.619 3.534 3.647 . 0 0 "[ . 1 . 2]" 1
121 1 6 LEU MD2 1 54 LEU MD1 2.500 . 3.700 2.015 1.979 2.046 . 0 0 "[ . 1 . 2]" 1
122 1 6 LEU MD2 1 54 LEU MD2 4.000 . 5.000 2.603 2.565 2.640 . 0 0 "[ . 1 . 2]" 1
123 1 6 LEU HG 1 11 LEU HA 3.000 . 3.500 2.635 2.593 2.721 . 0 0 "[ . 1 . 2]" 1
124 1 6 LEU HG 1 11 LEU MD1 3.000 . 4.500 3.612 3.581 3.635 . 0 0 "[ . 1 . 2]" 1
125 1 6 LEU HG 1 14 ALA H 4.000 . 4.600 4.298 4.254 4.358 . 0 0 "[ . 1 . 2]" 1
126 1 7 CYS H 1 7 CYS HA 2.500 . 3.000 2.995 2.993 2.998 . 0 0 "[ . 1 . 2]" 1
127 1 7 CYS H 1 7 CYS HB2 2.500 . 2.800 2.714 2.684 2.747 . 0 0 "[ . 1 . 2]" 1
128 1 7 CYS H 1 7 CYS HB3 3.000 . 3.800 3.836 3.824 3.850 0.050 9 0 "[ . 1 . 2]" 1
129 1 7 CYS H 1 10 HIS HB2 4.000 . 5.000 2.802 2.691 2.914 . 0 0 "[ . 1 . 2]" 1
130 1 7 CYS H 1 10 HIS HB3 3.000 . 3.500 1.761 1.743 1.782 0.057 9 0 "[ . 1 . 2]" 1
131 1 7 CYS H 1 11 LEU H 4.000 . 5.000 3.734 3.636 3.787 . 0 0 "[ . 1 . 2]" 1
132 1 7 CYS HA 1 7 CYS HB3 2.500 . 2.700 2.438 2.424 2.457 . 0 0 "[ . 1 . 2]" 1
133 1 7 CYS HA 1 8 GLY H 3.000 . 3.500 2.131 2.116 2.140 . 0 0 "[ . 1 . 2]" 1
134 1 7 CYS HA 1 8 GLY HA2 4.000 . 6.000 4.403 4.386 4.414 . 0 0 "[ . 1 . 2]" 1
135 1 7 CYS HA 1 10 HIS HB3 3.000 . 4.200 4.219 4.178 4.266 0.066 4 0 "[ . 1 . 2]" 1
136 1 7 CYS HA 1 45 CYS H 4.000 . 5.000 4.510 4.466 4.548 . 0 0 "[ . 1 . 2]" 1
137 1 7 CYS HA 1 45 CYS HB2 2.500 . 2.700 2.299 2.276 2.313 . 0 0 "[ . 1 . 2]" 1
138 1 7 CYS HA 1 45 CYS HB3 3.000 . 4.000 3.940 3.909 3.959 . 0 0 "[ . 1 . 2]" 1
139 1 7 CYS HB2 1 8 GLY H 4.000 . 4.300 4.216 4.192 4.239 . 0 0 "[ . 1 . 2]" 1
140 1 7 CYS HB3 1 8 GLY H 3.000 . 3.500 3.405 3.389 3.421 . 0 0 "[ . 1 . 2]" 1
141 1 7 CYS HB3 1 45 CYS HB2 3.000 . 4.300 3.776 3.696 3.861 . 0 0 "[ . 1 . 2]" 1
142 1 8 GLY H 1 8 GLY HA2 2.500 . 3.000 2.327 2.324 2.331 . 0 0 "[ . 1 . 2]" 1
143 1 8 GLY H 1 8 GLY HA3 3.000 . 3.200 2.844 2.833 2.853 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLY H 1 9 SER H 4.000 . 5.000 4.628 4.618 4.637 . 0 0 "[ . 1 . 2]" 1
145 1 8 GLY H 1 41 VAL MG1 3.000 . 4.000 2.880 2.715 3.026 . 0 0 "[ . 1 . 2]" 1
146 1 8 GLY H 1 45 CYS HB2 4.000 . 4.400 3.813 3.727 3.871 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLY HA2 1 9 SER H 2.500 . 3.300 3.100 3.073 3.118 . 0 0 "[ . 1 . 2]" 1
148 1 8 GLY HA2 1 9 SER HA 4.000 . 5.000 4.511 4.502 4.516 . 0 0 "[ . 1 . 2]" 1
149 1 8 GLY HA2 1 11 LEU HB2 3.000 . 4.500 4.626 4.590 4.674 0.174 12 0 "[ . 1 . 2]" 1
150 1 8 GLY HA2 1 12 VAL MG2 4.000 . 5.500 4.420 4.377 4.440 . 0 0 "[ . 1 . 2]" 1
151 1 8 GLY HA2 1 41 VAL MG1 4.000 . 5.000 3.930 3.618 4.092 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLY HA3 1 9 SER H 2.500 . 2.900 2.198 2.186 2.207 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLY HA3 1 10 HIS H 3.000 . 3.700 3.696 3.611 3.736 0.036 18 0 "[ . 1 . 2]" 1
154 1 9 SER H 1 9 SER HB2 3.000 . 3.500 2.786 2.570 2.911 . 0 0 "[ . 1 . 2]" 1
155 1 9 SER H 1 9 SER HB3 3.000 . 4.000 3.606 3.574 3.638 . 0 0 "[ . 1 . 2]" 1
156 1 9 SER H 1 10 HIS H 3.000 . 4.000 2.979 2.943 3.005 . 0 0 "[ . 1 . 2]" 1
157 1 9 SER H 1 11 LEU H 4.000 . 5.000 4.368 4.327 4.461 . 0 0 "[ . 1 . 2]" 1
158 1 9 SER HA 1 10 HIS H 3.000 . 3.600 3.545 3.523 3.554 . 0 0 "[ . 1 . 2]" 1
159 1 9 SER HA 1 12 VAL MG2 3.000 . 4.000 3.245 3.201 3.301 . 0 0 "[ . 1 . 2]" 1
160 1 9 SER HB2 1 10 HIS H 2.500 . 2.900 2.780 2.727 2.909 0.009 4 0 "[ . 1 . 2]" 1
161 1 10 HIS H 1 10 HIS HA 2.500 . 3.000 2.847 2.833 2.870 . 0 0 "[ . 1 . 2]" 1
162 1 10 HIS H 1 10 HIS HB2 3.000 . 3.600 2.291 2.201 2.374 . 0 0 "[ . 1 . 2]" 1
163 1 10 HIS H 1 10 HIS HB3 2.500 . 2.900 2.854 2.763 2.947 0.047 11 0 "[ . 1 . 2]" 1
164 1 10 HIS H 1 11 LEU H 3.000 . 3.300 2.657 2.573 2.695 . 0 0 "[ . 1 . 2]" 1
165 1 10 HIS HA 1 10 HIS HB2 2.500 . 3.300 2.628 2.577 2.691 . 0 0 "[ . 1 . 2]" 1
166 1 10 HIS HA 1 10 HIS HB3 2.500 . 2.900 3.006 2.993 3.013 0.113 12 0 "[ . 1 . 2]" 1
167 1 10 HIS HA 1 10 HIS HE1 4.000 . 6.000 4.789 4.362 5.584 . 0 0 "[ . 1 . 2]" 1
168 1 10 HIS HA 1 13 GLU H 3.000 . 4.000 3.911 3.825 3.978 . 0 0 "[ . 1 . 2]" 1
169 1 10 HIS HA 1 13 GLU HB2 2.500 . 3.400 2.561 2.478 2.680 . 0 0 "[ . 1 . 2]" 1
170 1 10 HIS HB2 1 10 HIS HE1 4.000 . 5.200 5.102 4.752 5.346 0.146 20 0 "[ . 1 . 2]" 1
171 1 10 HIS HB2 1 11 LEU H 3.000 . 4.000 3.721 3.620 3.801 . 0 0 "[ . 1 . 2]" 1
172 1 10 HIS HB3 1 11 LEU H 3.000 . 4.000 2.764 2.667 2.891 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU H 1 11 LEU HA 2.500 . 3.000 2.878 2.849 2.884 . 0 0 "[ . 1 . 2]" 1
174 1 11 LEU H 1 11 LEU HB2 3.000 . 3.500 2.577 2.522 2.606 . 0 0 "[ . 1 . 2]" 1
175 1 11 LEU H 1 11 LEU HB3 3.000 . 3.500 2.520 2.499 2.547 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU H 1 11 LEU MD2 4.000 . 5.500 4.281 4.253 4.299 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU H 1 11 LEU HG 4.000 . 4.500 4.491 4.473 4.514 0.014 10 0 "[ . 1 . 2]" 1
178 1 11 LEU H 1 12 VAL MG2 4.000 . 5.500 4.300 4.189 4.395 . 0 0 "[ . 1 . 2]" 1
179 1 11 LEU HA 1 11 LEU HB2 2.500 . 2.900 2.502 2.493 2.512 . 0 0 "[ . 1 . 2]" 1
180 1 11 LEU HA 1 11 LEU HB3 3.000 . 3.700 3.032 3.027 3.036 . 0 0 "[ . 1 . 2]" 1
181 1 11 LEU HA 1 11 LEU MD1 2.500 . 3.200 2.042 2.033 2.052 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU HA 1 12 VAL H 3.000 . 4.000 3.545 3.528 3.558 . 0 0 "[ . 1 . 2]" 1
183 1 11 LEU HA 1 14 ALA H 4.000 . 5.000 3.530 3.484 3.568 . 0 0 "[ . 1 . 2]" 1
184 1 11 LEU HA 1 14 ALA MB 3.000 . 3.500 2.653 2.573 2.896 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU HA 1 15 LEU H 3.000 . 4.000 3.783 3.741 3.840 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU HA 1 26 TYR HE1 4.000 . 5.000 5.075 5.027 5.148 0.148 11 0 "[ . 1 . 2]" 1
187 1 11 LEU HB2 1 12 VAL H 3.000 . 4.000 3.719 3.694 3.744 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU HB2 1 15 LEU MD1 4.000 . 5.200 4.393 4.365 4.412 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU HB2 1 26 TYR HE1 3.000 . 4.000 3.716 3.616 3.883 . 0 0 "[ . 1 . 2]" 1
190 1 11 LEU HB3 1 12 VAL H 3.000 . 3.200 2.339 2.297 2.383 . 0 0 "[ . 1 . 2]" 1
191 1 11 LEU HB3 1 24 PHE HE2 4.000 . 5.200 5.331 5.298 5.356 0.156 15 0 "[ . 1 . 2]" 1
192 1 11 LEU HB3 1 26 TYR HD1 4.000 . 5.000 4.632 4.444 4.921 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU HB3 1 26 TYR HE1 2.500 . 2.700 2.532 2.419 2.722 0.022 11 0 "[ . 1 . 2]" 1
194 1 11 LEU MD1 1 12 VAL H 4.000 . 5.500 4.179 4.150 4.214 . 0 0 "[ . 1 . 2]" 1
195 1 11 LEU MD1 1 14 ALA H 4.000 . 5.500 4.222 4.134 4.282 . 0 0 "[ . 1 . 2]" 1
196 1 11 LEU MD1 1 14 ALA MB 4.000 . 5.000 2.963 2.906 3.012 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU MD1 1 15 LEU H 4.000 . 4.500 3.047 2.986 3.086 . 0 0 "[ . 1 . 2]" 1
198 1 11 LEU MD1 1 15 LEU MD1 3.000 . 4.000 2.056 2.034 2.082 . 0 0 "[ . 1 . 2]" 1
199 1 11 LEU MD1 1 15 LEU MD2 4.000 . 5.000 3.240 3.212 3.265 . 0 0 "[ . 1 . 2]" 1
200 1 11 LEU MD1 1 40 ILE MD 3.000 . 4.000 2.200 2.173 2.254 . 0 0 "[ . 1 . 2]" 1
201 1 11 LEU MD1 1 44 CYS HB3 3.000 . 3.800 2.975 2.952 3.004 . 0 0 "[ . 1 . 2]" 1
202 1 11 LEU MD1 1 54 LEU HA 4.000 . 5.000 4.138 4.116 4.162 . 0 0 "[ . 1 . 2]" 1
203 1 11 LEU MD1 1 54 LEU MD1 4.000 . 4.500 3.012 2.966 3.031 . 0 0 "[ . 1 . 2]" 1
204 1 11 LEU MD1 1 54 LEU MD2 2.500 . 3.500 1.903 1.895 1.910 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU MD2 1 12 VAL H 4.000 . 5.200 4.378 4.334 4.408 . 0 0 "[ . 1 . 2]" 1
206 1 11 LEU MD2 1 15 LEU MD1 3.000 . 4.200 2.733 2.674 2.802 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU MD2 1 26 TYR HE1 3.000 . 3.800 2.108 2.075 2.160 . 0 0 "[ . 1 . 2]" 1
208 1 11 LEU MD2 1 40 ILE HA 4.000 . 5.000 4.145 4.102 4.179 . 0 0 "[ . 1 . 2]" 1
209 1 11 LEU MD2 1 40 ILE MD 2.500 . 3.500 2.040 2.021 2.066 . 0 0 "[ . 1 . 2]" 1
210 1 11 LEU MD2 1 40 ILE MG 3.000 . 4.000 2.207 2.176 2.233 . 0 0 "[ . 1 . 2]" 1
211 1 11 LEU MD2 1 41 VAL HA 3.000 . 3.700 2.121 2.042 2.303 . 0 0 "[ . 1 . 2]" 1
212 1 11 LEU MD2 1 41 VAL MG1 4.000 . 5.500 2.641 2.498 2.812 . 0 0 "[ . 1 . 2]" 1
213 1 11 LEU MD2 1 44 CYS HB2 3.000 . 3.800 2.653 2.611 2.694 . 0 0 "[ . 1 . 2]" 1
214 1 11 LEU HG 1 12 VAL H 3.000 . 4.000 3.572 3.521 3.619 . 0 0 "[ . 1 . 2]" 1
215 1 11 LEU HG 1 26 TYR HE1 3.000 . 3.500 2.336 2.289 2.353 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL H 1 12 VAL HA 2.500 . 2.900 2.841 2.827 2.848 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL H 1 12 VAL HB 2.500 . 3.200 2.378 2.299 2.441 . 0 0 "[ . 1 . 2]" 1
218 1 12 VAL H 1 12 VAL MG1 3.000 . 4.500 3.780 3.742 3.807 . 0 0 "[ . 1 . 2]" 1
219 1 12 VAL H 1 12 VAL MG2 3.000 . 3.300 2.177 2.045 2.338 . 0 0 "[ . 1 . 2]" 1
220 1 12 VAL H 1 13 GLU H 3.000 . 3.500 2.875 2.849 2.907 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL HA 1 12 VAL HB 2.500 . 3.200 3.029 3.022 3.036 . 0 0 "[ . 1 . 2]" 1
222 1 12 VAL HA 1 12 VAL MG1 2.500 . 3.300 2.547 2.536 2.556 . 0 0 "[ . 1 . 2]" 1
223 1 12 VAL HA 1 12 VAL MG2 2.500 . 3.200 2.306 2.250 2.347 . 0 0 "[ . 1 . 2]" 1
224 1 12 VAL HA 1 13 GLU H 3.000 . 4.000 3.559 3.552 3.566 . 0 0 "[ . 1 . 2]" 1
225 1 12 VAL HA 1 15 LEU H 3.000 . 3.500 3.570 3.537 3.598 0.098 7 0 "[ . 1 . 2]" 1
226 1 12 VAL HA 1 15 LEU HB2 4.000 . 5.000 2.654 2.592 2.733 . 0 0 "[ . 1 . 2]" 1
227 1 12 VAL HA 1 15 LEU HB3 4.000 . 5.000 4.290 4.224 4.372 . 0 0 "[ . 1 . 2]" 1
228 1 12 VAL HA 1 15 LEU MD1 3.000 . 4.000 2.833 2.737 2.900 . 0 0 "[ . 1 . 2]" 1
229 1 12 VAL HA 1 16 TYR H 3.000 . 4.000 3.652 3.620 3.676 . 0 0 "[ . 1 . 2]" 1
230 1 12 VAL HA 1 24 PHE HZ 2.500 . 3.200 2.301 2.286 2.322 . 0 0 "[ . 1 . 2]" 1
231 1 12 VAL HB 1 13 GLU H 3.000 . 3.500 2.187 2.143 2.229 . 0 0 "[ . 1 . 2]" 1
232 1 12 VAL HB 1 24 PHE HZ 3.000 . 4.300 4.227 4.148 4.326 0.026 9 0 "[ . 1 . 2]" 1
233 1 12 VAL MG1 1 13 GLU H 3.000 . 4.000 2.902 2.662 3.077 . 0 0 "[ . 1 . 2]" 1
234 1 12 VAL MG1 1 13 GLU HA 4.000 . 5.000 3.276 3.095 3.404 . 0 0 "[ . 1 . 2]" 1
235 1 12 VAL MG1 1 14 ALA H 4.000 . 5.500 4.492 4.425 4.535 . 0 0 "[ . 1 . 2]" 1
236 1 12 VAL MG1 1 16 TYR HB2 3.000 . 4.000 3.176 3.135 3.228 . 0 0 "[ . 1 . 2]" 1
237 1 12 VAL MG1 1 24 PHE HZ 2.500 . 3.200 2.112 2.043 2.202 . 0 0 "[ . 1 . 2]" 1
238 1 12 VAL MG2 1 13 GLU H 3.000 . 4.300 3.735 3.696 3.778 . 0 0 "[ . 1 . 2]" 1
239 1 12 VAL MG2 1 14 ALA H 4.000 . 6.000 5.060 5.025 5.100 . 0 0 "[ . 1 . 2]" 1
240 1 12 VAL MG2 1 24 PHE HE2 2.500 . 3.200 2.332 2.298 2.395 . 0 0 "[ . 1 . 2]" 1
241 1 12 VAL MG2 1 24 PHE HZ 3.000 . 3.500 2.537 2.403 2.632 . 0 0 "[ . 1 . 2]" 1
242 1 12 VAL MG2 1 26 TYR HE1 3.000 . 4.000 3.127 3.035 3.188 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLU H 1 13 GLU HA 2.500 . 3.000 2.761 2.755 2.767 . 0 0 "[ . 1 . 2]" 1
244 1 13 GLU H 1 13 GLU HB2 2.500 . 2.900 2.567 2.545 2.600 . 0 0 "[ . 1 . 2]" 1
245 1 13 GLU H 1 13 GLU HB3 3.000 . 3.800 3.632 3.628 3.638 . 0 0 "[ . 1 . 2]" 1
246 1 13 GLU H 1 13 GLU HG3 2.500 . 2.900 2.031 1.959 2.068 . 0 0 "[ . 1 . 2]" 1
247 1 13 GLU H 1 14 ALA H 3.000 . 3.200 2.903 2.887 2.915 . 0 0 "[ . 1 . 2]" 1
248 1 13 GLU HA 1 13 GLU HB2 2.500 . 3.300 3.030 3.028 3.032 . 0 0 "[ . 1 . 2]" 1
249 1 13 GLU HA 1 13 GLU HB3 2.500 . 3.300 2.512 2.493 2.525 . 0 0 "[ . 1 . 2]" 1
250 1 13 GLU HA 1 13 GLU HG3 2.500 . 2.700 2.739 2.717 2.766 0.066 6 0 "[ . 1 . 2]" 1
251 1 13 GLU HA 1 14 ALA H 3.000 . 3.800 3.526 3.519 3.533 . 0 0 "[ . 1 . 2]" 1
252 1 13 GLU HA 1 16 TYR H 3.000 . 4.000 4.078 4.064 4.098 0.098 18 0 "[ . 1 . 2]" 1
253 1 13 GLU HA 1 16 TYR HB2 3.000 . 4.000 3.900 3.839 3.952 . 0 0 "[ . 1 . 2]" 1
254 1 13 GLU HB2 1 14 ALA H 2.500 . 3.000 2.901 2.880 2.932 . 0 0 "[ . 1 . 2]" 1
255 1 13 GLU HB3 1 14 ALA H 3.000 . 4.000 3.838 3.808 3.887 . 0 0 "[ . 1 . 2]" 1
256 1 13 GLU HG3 1 14 ALA H 4.000 . 4.300 4.432 4.398 4.463 0.163 4 0 "[ . 1 . 2]" 1
257 1 14 ALA H 1 14 ALA HA 2.500 . 3.000 2.954 2.947 2.961 . 0 0 "[ . 1 . 2]" 1
258 1 14 ALA H 1 14 ALA MB 2.500 . 3.400 2.140 2.087 2.245 . 0 0 "[ . 1 . 2]" 1
259 1 14 ALA H 1 15 LEU H 2.500 . 3.000 2.660 2.632 2.685 . 0 0 "[ . 1 . 2]" 1
260 1 14 ALA H 1 17 LEU MD1 4.000 . 5.200 4.269 4.258 4.275 . 0 0 "[ . 1 . 2]" 1
261 1 14 ALA HA 1 15 LEU H 3.000 . 4.000 3.604 3.598 3.611 . 0 0 "[ . 1 . 2]" 1
262 1 14 ALA HA 1 17 LEU H 3.000 . 3.500 3.502 3.469 3.517 0.017 1 0 "[ . 1 . 2]" 1
263 1 14 ALA HA 1 17 LEU HB2 2.500 . 3.400 3.442 3.422 3.454 0.054 1 0 "[ . 1 . 2]" 1
264 1 14 ALA HA 1 17 LEU MD1 3.000 . 3.300 2.363 2.332 2.383 . 0 0 "[ . 1 . 2]" 1
265 1 14 ALA HA 1 17 LEU MD2 4.000 . 5.000 4.053 4.027 4.080 . 0 0 "[ . 1 . 2]" 1
266 1 14 ALA HA 1 18 VAL H 4.000 . 5.000 4.329 4.298 4.364 . 0 0 "[ . 1 . 2]" 1
267 1 14 ALA MB 1 15 LEU H 3.000 . 3.400 2.289 2.129 2.377 . 0 0 "[ . 1 . 2]" 1
268 1 14 ALA MB 1 54 LEU MD1 3.000 . 4.000 2.474 2.407 2.551 . 0 0 "[ . 1 . 2]" 1
269 1 15 LEU H 1 15 LEU HA 2.500 . 3.000 2.779 2.775 2.787 . 0 0 "[ . 1 . 2]" 1
270 1 15 LEU H 1 15 LEU HB2 2.500 . 3.000 2.445 2.432 2.456 . 0 0 "[ . 1 . 2]" 1
271 1 15 LEU H 1 15 LEU HB3 3.000 . 4.000 3.632 3.625 3.636 . 0 0 "[ . 1 . 2]" 1
272 1 15 LEU H 1 15 LEU MD1 4.000 . 4.500 3.235 3.179 3.272 . 0 0 "[ . 1 . 2]" 1
273 1 15 LEU H 1 15 LEU MD2 4.000 . 5.000 3.847 3.826 3.862 . 0 0 "[ . 1 . 2]" 1
274 1 15 LEU H 1 15 LEU HG 3.000 . 3.500 2.419 2.378 2.446 . 0 0 "[ . 1 . 2]" 1
275 1 15 LEU H 1 17 LEU MD1 4.000 . 5.800 4.771 4.754 4.782 . 0 0 "[ . 1 . 2]" 1
276 1 15 LEU H 1 54 LEU MD1 4.000 . 5.000 3.892 3.877 3.910 . 0 0 "[ . 1 . 2]" 1
277 1 15 LEU HA 1 15 LEU HB2 3.000 . 3.500 3.015 3.012 3.018 . 0 0 "[ . 1 . 2]" 1
278 1 15 LEU HA 1 15 LEU MD1 4.000 . 5.000 3.820 3.815 3.826 . 0 0 "[ . 1 . 2]" 1
279 1 15 LEU HA 1 15 LEU MD2 3.000 . 3.700 2.259 2.246 2.272 . 0 0 "[ . 1 . 2]" 1
280 1 15 LEU HA 1 15 LEU HG 2.500 . 3.000 2.555 2.544 2.570 . 0 0 "[ . 1 . 2]" 1
281 1 15 LEU HA 1 16 TYR H 3.000 . 3.500 3.529 3.516 3.533 0.033 15 0 "[ . 1 . 2]" 1
282 1 15 LEU HA 1 18 VAL H 3.000 . 4.000 3.237 3.207 3.272 . 0 0 "[ . 1 . 2]" 1
283 1 15 LEU HA 1 18 VAL HB 2.500 . 2.700 2.272 2.263 2.283 . 0 0 "[ . 1 . 2]" 1
284 1 15 LEU HA 1 18 VAL MG1 3.000 . 4.300 3.674 3.658 3.685 . 0 0 "[ . 1 . 2]" 1
285 1 15 LEU HA 1 18 VAL MG2 2.500 . 3.500 2.429 2.353 2.491 . 0 0 "[ . 1 . 2]" 1
286 1 15 LEU HA 1 19 CYS H 3.000 . 3.500 3.296 3.267 3.324 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU HB2 1 15 LEU MD1 2.500 . 3.200 2.159 2.150 2.167 . 0 0 "[ . 1 . 2]" 1
288 1 15 LEU HB2 1 15 LEU MD2 3.000 . 3.800 3.165 3.159 3.172 . 0 0 "[ . 1 . 2]" 1
289 1 15 LEU HB2 1 16 TYR H 2.500 . 3.000 2.729 2.706 2.758 . 0 0 "[ . 1 . 2]" 1
290 1 15 LEU HB2 1 24 PHE HE1 3.000 . 4.000 3.495 3.459 3.527 . 0 0 "[ . 1 . 2]" 1
291 1 15 LEU HB2 1 24 PHE HE2 3.000 . 4.000 3.559 3.527 3.601 . 0 0 "[ . 1 . 2]" 1
292 1 15 LEU HB2 1 24 PHE HZ 3.000 . 3.200 3.207 3.179 3.232 0.032 17 0 "[ . 1 . 2]" 1
293 1 15 LEU HB3 1 16 TYR H 3.000 . 3.800 3.543 3.520 3.582 . 0 0 "[ . 1 . 2]" 1
294 1 15 LEU HB3 1 17 LEU H 4.000 . 6.000 5.382 5.347 5.422 . 0 0 "[ . 1 . 2]" 1
295 1 15 LEU HB3 1 24 PHE HD1 3.000 . 3.800 2.941 2.900 2.974 . 0 0 "[ . 1 . 2]" 1
296 1 15 LEU HB3 1 24 PHE HE1 3.000 . 4.000 3.509 3.463 3.565 . 0 0 "[ . 1 . 2]" 1
297 1 15 LEU HB3 1 24 PHE HZ 4.000 . 4.300 4.136 4.091 4.183 . 0 0 "[ . 1 . 2]" 1
298 1 15 LEU MD1 1 24 PHE HD2 3.000 . 3.800 2.317 2.290 2.346 . 0 0 "[ . 1 . 2]" 1
299 1 15 LEU MD1 1 24 PHE HE2 3.000 . 3.700 2.704 2.666 2.748 . 0 0 "[ . 1 . 2]" 1
300 1 15 LEU MD1 1 26 TYR HE1 3.000 . 4.000 3.349 3.161 3.420 . 0 0 "[ . 1 . 2]" 1
301 1 15 LEU MD1 1 54 LEU MD2 4.000 . 4.300 2.682 2.665 2.706 . 0 0 "[ . 1 . 2]" 1
302 1 15 LEU MD2 1 18 VAL HB 3.000 . 4.500 2.911 2.875 2.952 . 0 0 "[ . 1 . 2]" 1
303 1 15 LEU MD2 1 18 VAL MG1 4.000 . 5.500 3.183 3.131 3.214 . 0 0 "[ . 1 . 2]" 1
304 1 15 LEU MD2 1 24 PHE HD2 4.000 . 5.000 3.553 3.522 3.595 . 0 0 "[ . 1 . 2]" 1
305 1 15 LEU MD2 1 24 PHE HE2 4.000 . 5.800 4.748 4.705 4.779 . 0 0 "[ . 1 . 2]" 1
306 1 15 LEU MD2 1 40 ILE MD 4.000 . 5.200 2.720 2.650 2.762 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU MD2 1 54 LEU HA 3.000 . 3.500 2.275 2.262 2.287 . 0 0 "[ . 1 . 2]" 1
308 1 15 LEU MD2 1 54 LEU HB3 2.500 . 3.200 2.194 2.180 2.202 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU MD2 1 57 TYR H 4.000 . 4.500 3.527 3.506 3.548 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU MD2 1 57 TYR HB2 3.000 . 3.300 2.516 2.495 2.537 . 0 0 "[ . 1 . 2]" 1
311 1 15 LEU MD2 1 57 TYR HB3 3.000 . 4.800 3.917 3.894 3.934 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU MD2 1 58 CYS H 4.000 . 5.000 3.854 3.777 3.935 . 0 0 "[ . 1 . 2]" 1
313 1 15 LEU HG 1 16 TYR H 4.000 . 5.000 4.580 4.557 4.595 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU HG 1 24 PHE HZ 4.000 . 5.800 5.755 5.726 5.784 . 0 0 "[ . 1 . 2]" 1
315 1 16 TYR H 1 16 TYR HA 2.500 . 3.000 2.802 2.793 2.811 . 0 0 "[ . 1 . 2]" 1
316 1 16 TYR H 1 16 TYR HB2 2.500 . 3.000 2.863 2.846 2.888 . 0 0 "[ . 1 . 2]" 1
317 1 16 TYR H 1 17 LEU MD1 4.000 . 4.500 3.632 3.609 3.653 . 0 0 "[ . 1 . 2]" 1
318 1 16 TYR H 1 19 CYS H 4.000 . 5.000 4.754 4.730 4.772 . 0 0 "[ . 1 . 2]" 1
319 1 16 TYR H 1 24 PHE HE1 3.000 . 3.500 3.309 3.271 3.363 . 0 0 "[ . 1 . 2]" 1
320 1 16 TYR H 1 24 PHE HZ 3.000 . 4.000 3.887 3.857 3.931 . 0 0 "[ . 1 . 2]" 1
321 1 16 TYR HA 1 16 TYR HD2 2.500 . 2.700 2.507 2.496 2.525 . 0 0 "[ . 1 . 2]" 1
322 1 16 TYR HA 1 17 LEU H 3.000 . 3.800 3.560 3.555 3.565 . 0 0 "[ . 1 . 2]" 1
323 1 16 TYR HA 1 19 CYS HB2 3.000 . 3.500 3.515 3.460 3.549 0.049 16 0 "[ . 1 . 2]" 1
324 1 16 TYR HA 1 20 GLY H 4.000 . 6.000 3.878 3.801 3.953 . 0 0 "[ . 1 . 2]" 1
325 1 16 TYR HA 1 24 PHE HD1 3.000 . 3.500 3.540 3.513 3.574 0.074 9 0 "[ . 1 . 2]" 1
326 1 16 TYR HA 1 24 PHE HE1 2.500 . 2.700 2.405 2.373 2.425 . 0 0 "[ . 1 . 2]" 1
327 1 16 TYR HA 1 24 PHE HZ 3.000 . 4.500 4.513 4.472 4.536 0.036 6 0 "[ . 1 . 2]" 1
328 1 16 TYR HB2 1 16 TYR HE1 4.000 . 5.500 5.254 5.233 5.262 . 0 0 "[ . 1 . 2]" 1
329 1 16 TYR HB2 1 17 LEU H 3.000 . 4.000 4.108 4.091 4.123 0.123 17 0 "[ . 1 . 2]" 1
330 1 16 TYR HB2 1 20 GLY H 4.000 . 6.200 5.911 5.833 5.983 . 0 0 "[ . 1 . 2]" 1
331 1 16 TYR HB2 1 24 PHE HE1 2.500 . 3.200 3.016 2.979 3.049 . 0 0 "[ . 1 . 2]" 1
332 1 16 TYR HB2 1 24 PHE HZ 3.000 . 4.000 4.027 4.010 4.045 0.045 3 0 "[ . 1 . 2]" 1
333 1 16 TYR HB3 1 24 PHE HE1 3.000 . 4.000 4.144 4.124 4.166 0.166 7 0 "[ . 1 . 2]" 1
334 1 16 TYR HB3 1 24 PHE HZ 4.000 . 5.500 4.857 4.811 4.881 . 0 0 "[ . 1 . 2]" 1
335 1 16 TYR HD1 1 17 LEU MD1 4.000 . 5.500 2.183 2.167 2.218 . 0 0 "[ . 1 . 2]" 1
336 1 16 TYR HD1 1 17 LEU HG 3.000 . 4.000 3.809 3.743 3.920 . 0 0 "[ . 1 . 2]" 1
337 1 16 TYR HE1 1 17 LEU MD1 3.000 . 4.000 3.210 3.171 3.227 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU H 1 17 LEU HA 2.500 . 3.200 2.920 2.911 2.926 . 0 0 "[ . 1 . 2]" 1
339 1 17 LEU H 1 17 LEU HB2 2.500 . 3.000 2.383 2.374 2.394 . 0 0 "[ . 1 . 2]" 1
340 1 17 LEU H 1 17 LEU HB3 3.000 . 3.500 3.611 3.605 3.617 0.117 17 0 "[ . 1 . 2]" 1
341 1 17 LEU H 1 17 LEU MD1 2.500 . 3.200 1.892 1.864 1.927 . 0 0 "[ . 1 . 2]" 1
342 1 17 LEU H 1 17 LEU MD2 4.000 . 5.500 4.036 4.021 4.047 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU H 1 17 LEU HG 3.000 . 4.000 3.445 3.425 3.472 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU H 1 18 VAL H 2.500 . 2.900 2.537 2.517 2.563 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU H 1 18 VAL MG2 4.000 . 5.500 3.635 3.601 3.675 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU HA 1 17 LEU HB2 2.500 . 3.300 3.035 3.034 3.037 . 0 0 "[ . 1 . 2]" 1
347 1 17 LEU HA 1 17 LEU HB3 2.500 . 3.300 2.539 2.532 2.545 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU HA 1 17 LEU MD1 3.000 . 4.000 3.113 3.094 3.123 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU HA 1 17 LEU MD2 4.000 . 4.500 3.591 3.585 3.598 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU HA 1 17 LEU HG 2.500 . 2.700 2.311 2.306 2.318 . 0 0 "[ . 1 . 2]" 1
351 1 17 LEU HA 1 18 VAL H 3.000 . 3.500 3.553 3.550 3.554 0.054 10 0 "[ . 1 . 2]" 1
352 1 17 LEU HA 1 19 CYS H 4.000 . 5.000 4.681 4.640 4.720 . 0 0 "[ . 1 . 2]" 1
353 1 17 LEU HA 1 20 GLY H 3.000 . 3.500 3.241 3.215 3.286 . 0 0 "[ . 1 . 2]" 1
354 1 17 LEU HB2 1 18 VAL H 3.000 . 3.300 2.354 2.333 2.382 . 0 0 "[ . 1 . 2]" 1
355 1 17 LEU HB3 1 18 VAL H 3.000 . 3.500 3.289 3.268 3.324 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU MD1 1 18 VAL H 4.000 . 4.500 3.691 3.676 3.697 . 0 0 "[ . 1 . 2]" 1
357 1 17 LEU HG 1 18 VAL H 4.000 . 5.000 4.776 4.766 4.787 . 0 0 "[ . 1 . 2]" 1
358 1 18 VAL H 1 18 VAL HA 2.500 . 3.000 2.799 2.797 2.803 . 0 0 "[ . 1 . 2]" 1
359 1 18 VAL H 1 18 VAL HB 2.500 . 2.900 2.723 2.705 2.735 . 0 0 "[ . 1 . 2]" 1
360 1 18 VAL H 1 18 VAL MG1 3.000 . 4.500 3.740 3.734 3.749 . 0 0 "[ . 1 . 2]" 1
361 1 18 VAL H 1 18 VAL MG2 2.500 . 3.400 1.815 1.751 1.879 0.049 4 0 "[ . 1 . 2]" 1
362 1 18 VAL H 1 20 GLY H 3.000 . 4.000 3.829 3.789 3.858 . 0 0 "[ . 1 . 2]" 1
363 1 18 VAL HA 1 18 VAL HB 2.500 . 3.300 3.027 3.025 3.030 . 0 0 "[ . 1 . 2]" 1
364 1 18 VAL HA 1 18 VAL MG1 2.500 . 3.000 2.343 2.334 2.361 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL HA 1 18 VAL MG2 2.500 . 3.200 2.439 2.415 2.489 . 0 0 "[ . 1 . 2]" 1
366 1 18 VAL HA 1 19 CYS H 3.000 . 3.600 3.568 3.562 3.572 . 0 0 "[ . 1 . 2]" 1
367 1 18 VAL HB 1 19 CYS H 2.500 . 2.900 2.192 2.170 2.215 . 0 0 "[ . 1 . 2]" 1
368 1 18 VAL HB 1 20 GLY H 4.000 . 4.500 4.458 4.423 4.491 . 0 0 "[ . 1 . 2]" 1
369 1 18 VAL MG1 1 19 CYS H 3.000 . 4.000 3.357 3.345 3.379 . 0 0 "[ . 1 . 2]" 1
370 1 18 VAL MG1 1 51 LEU HA 4.000 . 5.000 3.596 3.474 3.748 . 0 0 "[ . 1 . 2]" 1
371 1 18 VAL MG1 1 54 LEU HA 4.000 . 5.300 4.123 4.097 4.152 . 0 0 "[ . 1 . 2]" 1
372 1 18 VAL MG1 1 54 LEU HB3 3.000 . 4.000 2.843 2.809 2.883 . 0 0 "[ . 1 . 2]" 1
373 1 18 VAL MG1 1 55 GLU H 3.000 . 3.500 2.760 2.743 2.775 . 0 0 "[ . 1 . 2]" 1
374 1 18 VAL MG2 1 19 CYS H 3.000 . 4.500 3.541 3.523 3.566 . 0 0 "[ . 1 . 2]" 1
375 1 18 VAL MG2 1 51 LEU HA 3.000 . 4.300 3.391 3.287 3.501 . 0 0 "[ . 1 . 2]" 1
376 1 18 VAL MG2 1 51 LEU MD2 3.000 . 4.000 2.443 2.364 2.502 . 0 0 "[ . 1 . 2]" 1
377 1 18 VAL MG2 1 54 LEU HB3 3.000 . 3.700 2.398 2.304 2.486 . 0 0 "[ . 1 . 2]" 1
378 1 18 VAL MG2 1 54 LEU MD1 3.000 . 4.000 2.528 2.489 2.547 . 0 0 "[ . 1 . 2]" 1
379 1 18 VAL MG2 1 55 GLU H 4.000 . 5.500 4.299 4.245 4.333 . 0 0 "[ . 1 . 2]" 1
380 1 19 CYS H 1 19 CYS HA 3.000 . 3.300 2.913 2.907 2.920 . 0 0 "[ . 1 . 2]" 1
381 1 19 CYS H 1 19 CYS HB2 2.500 . 2.700 2.670 2.634 2.693 . 0 0 "[ . 1 . 2]" 1
382 1 19 CYS H 1 19 CYS HB3 3.000 . 3.500 3.589 3.579 3.595 0.095 7 0 "[ . 1 . 2]" 1
383 1 19 CYS H 1 20 GLY H 2.500 . 3.000 2.471 2.444 2.503 . 0 0 "[ . 1 . 2]" 1
384 1 19 CYS H 1 24 PHE HE1 4.000 . 5.400 5.379 5.290 5.416 0.016 17 0 "[ . 1 . 2]" 1
385 1 19 CYS H 1 58 CYS HB3 4.000 . 4.800 4.633 4.571 4.751 . 0 0 "[ . 1 . 2]" 1
386 1 19 CYS HA 1 19 CYS HB2 2.500 . 3.100 3.022 3.020 3.025 . 0 0 "[ . 1 . 2]" 1
387 1 19 CYS HA 1 19 CYS HB3 2.500 . 2.800 2.371 2.362 2.385 . 0 0 "[ . 1 . 2]" 1
388 1 19 CYS HA 1 20 GLY H 3.000 . 4.000 3.484 3.475 3.488 . 0 0 "[ . 1 . 2]" 1
389 1 19 CYS HA 1 22 ARG H 4.000 . 4.500 4.274 4.076 4.479 . 0 0 "[ . 1 . 2]" 1
390 1 19 CYS HA 1 58 CYS HB2 3.000 . 3.500 3.567 3.542 3.646 0.146 14 0 "[ . 1 . 2]" 1
391 1 19 CYS HA 1 58 CYS HB3 2.500 . 2.700 2.391 2.331 2.522 . 0 0 "[ . 1 . 2]" 1
392 1 19 CYS HB2 1 20 GLY H 2.500 . 3.100 3.021 3.004 3.053 . 0 0 "[ . 1 . 2]" 1
393 1 19 CYS HB2 1 22 ARG H 4.000 . 5.000 4.614 4.531 4.719 . 0 0 "[ . 1 . 2]" 1
394 1 19 CYS HB2 1 23 GLY H 3.000 . 3.500 2.587 2.505 2.700 . 0 0 "[ . 1 . 2]" 1
395 1 19 CYS HB2 1 24 PHE HD1 3.000 . 3.200 2.726 2.646 2.794 . 0 0 "[ . 1 . 2]" 1
396 1 19 CYS HB3 1 20 GLY H 4.000 . 4.500 4.158 4.127 4.181 . 0 0 "[ . 1 . 2]" 1
397 1 19 CYS HB3 1 23 GLY H 3.000 . 3.500 2.336 2.271 2.402 . 0 0 "[ . 1 . 2]" 1
398 1 19 CYS HB3 1 24 PHE H 4.000 . 5.000 4.383 4.330 4.455 . 0 0 "[ . 1 . 2]" 1
399 1 19 CYS HB3 1 58 CYS HA 2.500 . 2.800 2.775 2.698 2.822 0.022 15 0 "[ . 1 . 2]" 1
400 1 19 CYS HB3 1 58 CYS HB3 2.500 . 2.700 2.335 2.328 2.342 . 0 0 "[ . 1 . 2]" 1
401 1 19 CYS HB3 1 59 GLY H 3.000 . 4.000 4.099 4.066 4.136 0.136 17 0 "[ . 1 . 2]" 1
402 1 20 GLY H 1 20 GLY HA2 2.500 . 2.900 2.351 2.348 2.355 . 0 0 "[ . 1 . 2]" 1
403 1 20 GLY H 1 20 GLY HA3 2.500 . 2.900 2.824 2.805 2.843 . 0 0 "[ . 1 . 2]" 1
404 1 20 GLY H 1 21 GLU H 4.000 . 4.700 4.485 4.424 4.516 . 0 0 "[ . 1 . 2]" 1
405 1 20 GLY HA2 1 21 GLU H 2.500 . 3.400 3.344 3.316 3.389 . 0 0 "[ . 1 . 2]" 1
406 1 20 GLY HA2 1 22 ARG H 4.000 . 5.000 4.769 4.697 4.946 . 0 0 "[ . 1 . 2]" 1
407 1 20 GLY HA3 1 21 GLU H 2.500 . 2.900 2.196 2.192 2.204 . 0 0 "[ . 1 . 2]" 1
408 1 21 GLU H 1 21 GLU HA 2.500 . 3.000 2.943 2.941 2.946 . 0 0 "[ . 1 . 2]" 1
409 1 21 GLU H 1 21 GLU HB2 2.500 . 3.000 2.526 2.324 2.674 . 0 0 "[ . 1 . 2]" 1
410 1 21 GLU H 1 21 GLU HB3 3.000 . 3.800 3.650 3.605 3.667 . 0 0 "[ . 1 . 2]" 1
411 1 21 GLU H 1 21 GLU HG2 3.000 . 4.000 3.709 3.617 3.924 . 0 0 "[ . 1 . 2]" 1
412 1 21 GLU H 1 21 GLU HG3 2.500 . 3.000 2.667 2.242 3.039 0.039 11 0 "[ . 1 . 2]" 1
413 1 21 GLU H 1 22 ARG H 2.500 . 2.800 2.365 2.339 2.413 . 0 0 "[ . 1 . 2]" 1
414 1 21 GLU HA 1 21 GLU HB2 2.500 . 3.200 3.029 3.021 3.035 . 0 0 "[ . 1 . 2]" 1
415 1 21 GLU HA 1 21 GLU HB3 2.500 . 2.800 2.457 2.387 2.576 . 0 0 "[ . 1 . 2]" 1
416 1 21 GLU HA 1 21 GLU HG3 2.500 . 3.000 2.765 2.506 3.002 0.002 9 0 "[ . 1 . 2]" 1
417 1 21 GLU HA 1 22 ARG H 3.000 . 3.800 3.484 3.466 3.524 . 0 0 "[ . 1 . 2]" 1
418 1 21 GLU HA 1 23 GLY H 3.000 . 3.800 3.945 3.921 3.987 0.187 11 0 "[ . 1 . 2]" 1
419 1 21 GLU HB2 1 22 ARG H 2.500 . 3.500 3.022 2.901 3.067 . 0 0 "[ . 1 . 2]" 1
420 1 21 GLU HB2 1 23 GLY H 4.000 . 5.300 5.241 5.169 5.303 0.003 3 0 "[ . 1 . 2]" 1
421 1 21 GLU HG3 1 22 ARG H 4.000 . 5.000 4.567 4.282 4.794 . 0 0 "[ . 1 . 2]" 1
422 1 22 ARG H 1 22 ARG HA 2.500 . 2.900 2.821 2.818 2.824 . 0 0 "[ . 1 . 2]" 1
423 1 22 ARG H 1 22 ARG HB3 3.000 . 3.800 3.622 3.611 3.632 . 0 0 "[ . 1 . 2]" 1
424 1 22 ARG H 1 22 ARG QD 4.000 . 5.000 3.851 3.339 4.112 . 0 0 "[ . 1 . 2]" 1
425 1 22 ARG H 1 22 ARG HG2 3.000 . 3.600 2.770 1.870 3.612 0.012 11 0 "[ . 1 . 2]" 1
426 1 22 ARG H 1 22 ARG HG3 3.000 . 3.400 2.546 1.818 3.445 0.045 18 0 "[ . 1 . 2]" 1
427 1 22 ARG H 1 23 GLY H 3.000 . 3.300 2.773 2.751 2.793 . 0 0 "[ . 1 . 2]" 1
428 1 22 ARG HA 1 22 ARG HB2 3.000 . 3.300 3.032 3.025 3.038 . 0 0 "[ . 1 . 2]" 1
429 1 22 ARG HA 1 22 ARG HB3 2.500 . 2.800 2.486 2.406 2.559 . 0 0 "[ . 1 . 2]" 1
430 1 22 ARG HA 1 22 ARG HG2 2.500 . 2.900 2.571 2.334 3.000 0.100 8 0 "[ . 1 . 2]" 1
431 1 22 ARG HA 1 23 GLY H 3.000 . 4.200 3.543 3.536 3.549 . 0 0 "[ . 1 . 2]" 1
432 1 22 ARG HB2 1 23 GLY H 3.000 . 3.300 2.677 2.622 2.752 . 0 0 "[ . 1 . 2]" 1
433 1 22 ARG HB2 1 59 GLY H 4.000 . 5.000 4.978 4.835 5.068 0.068 11 0 "[ . 1 . 2]" 1
434 1 22 ARG HB3 1 59 GLY H 4.000 . 5.500 4.438 4.132 4.705 . 0 0 "[ . 1 . 2]" 1
435 1 22 ARG HG2 1 23 GLY H 4.000 . 5.500 4.687 4.120 5.058 . 0 0 "[ . 1 . 2]" 1
436 1 23 GLY H 1 23 GLY HA2 2.500 . 2.900 2.357 2.354 2.360 . 0 0 "[ . 1 . 2]" 1
437 1 23 GLY H 1 23 GLY HA3 3.000 . 3.400 2.904 2.902 2.907 . 0 0 "[ . 1 . 2]" 1
438 1 23 GLY H 1 24 PHE H 4.000 . 4.500 4.443 4.415 4.477 . 0 0 "[ . 1 . 2]" 1
439 1 23 GLY H 1 24 PHE HD1 4.000 . 4.300 4.226 4.176 4.304 0.004 1 0 "[ . 1 . 2]" 1
440 1 23 GLY H 1 58 CYS HB2 4.000 . 6.000 6.008 5.951 6.045 0.045 15 0 "[ . 1 . 2]" 1
441 1 23 GLY HA2 1 24 PHE H 3.000 . 3.500 2.400 2.371 2.433 . 0 0 "[ . 1 . 2]" 1
442 1 23 GLY HA2 1 24 PHE HA 4.000 . 4.800 4.562 4.552 4.569 . 0 0 "[ . 1 . 2]" 1
443 1 23 GLY HA2 1 24 PHE HD1 3.000 . 3.500 2.664 2.601 2.718 . 0 0 "[ . 1 . 2]" 1
444 1 23 GLY HA2 1 24 PHE HE1 4.000 . 5.000 3.959 3.831 4.058 . 0 0 "[ . 1 . 2]" 1
445 1 23 GLY HA3 1 24 PHE H 3.000 . 3.500 2.787 2.731 2.826 . 0 0 "[ . 1 . 2]" 1
446 1 24 PHE H 1 24 PHE HA 3.000 . 3.200 2.990 2.988 2.993 . 0 0 "[ . 1 . 2]" 1
447 1 24 PHE H 1 24 PHE HB2 3.000 . 4.200 3.859 3.839 3.880 . 0 0 "[ . 1 . 2]" 1
448 1 24 PHE H 1 24 PHE HB3 3.000 . 3.500 3.321 3.309 3.335 . 0 0 "[ . 1 . 2]" 1
449 1 24 PHE H 1 24 PHE HD1 3.000 . 3.500 2.200 2.174 2.242 . 0 0 "[ . 1 . 2]" 1
450 1 24 PHE H 1 24 PHE HE1 3.000 . 4.000 3.748 3.709 3.767 . 0 0 "[ . 1 . 2]" 1
451 1 24 PHE H 1 25 PHE H 3.000 . 4.500 4.435 4.427 4.445 . 0 0 "[ . 1 . 2]" 1
452 1 24 PHE H 1 25 PHE HA 4.000 . 5.000 4.709 4.682 4.729 . 0 0 "[ . 1 . 2]" 1
453 1 24 PHE H 1 58 CYS HA 4.000 . 5.000 4.373 4.352 4.399 . 0 0 "[ . 1 . 2]" 1
454 1 24 PHE HA 1 24 PHE HB2 2.500 . 2.800 2.498 2.487 2.514 . 0 0 "[ . 1 . 2]" 1
455 1 24 PHE HA 1 24 PHE HB3 2.500 . 2.800 2.434 2.422 2.446 . 0 0 "[ . 1 . 2]" 1
456 1 24 PHE HA 1 24 PHE HD1 3.000 . 3.800 3.883 3.871 3.893 0.093 17 0 "[ . 1 . 2]" 1
457 1 24 PHE HA 1 25 PHE H 2.500 . 2.900 2.558 2.530 2.580 . 0 0 "[ . 1 . 2]" 1
458 1 24 PHE HA 1 25 PHE HB3 3.000 . 4.200 4.231 4.197 4.254 0.054 8 0 "[ . 1 . 2]" 1
459 1 24 PHE HA 1 25 PHE HD2 3.000 . 4.200 3.737 3.552 4.250 0.050 12 0 "[ . 1 . 2]" 1
460 1 24 PHE HA 1 58 CYS H 4.000 . 4.500 4.762 4.743 4.790 0.290 6 0 "[ . 1 . 2]" 1
461 1 24 PHE HA 1 59 GLY H 2.500 . 3.500 1.787 1.776 1.825 0.024 14 0 "[ . 1 . 2]" 1
462 1 24 PHE HB2 1 24 PHE HD1 3.000 . 3.800 3.751 3.747 3.757 . 0 0 "[ . 1 . 2]" 1
463 1 24 PHE HB2 1 24 PHE HD2 2.500 . 2.700 2.344 2.341 2.346 . 0 0 "[ . 1 . 2]" 1
464 1 24 PHE HB2 1 57 TYR H 4.000 . 5.200 5.098 5.077 5.118 . 0 0 "[ . 1 . 2]" 1
465 1 24 PHE HB2 1 57 TYR HB3 3.000 . 3.300 3.177 3.125 3.222 . 0 0 "[ . 1 . 2]" 1
466 1 24 PHE HB2 1 57 TYR HD2 4.000 . 4.700 4.811 4.783 4.836 0.136 17 0 "[ . 1 . 2]" 1
467 1 24 PHE HB2 1 58 CYS H 4.000 . 5.000 4.646 4.612 4.670 . 0 0 "[ . 1 . 2]" 1
468 1 24 PHE HB2 1 58 CYS HA 3.000 . 3.600 3.538 3.520 3.583 . 0 0 "[ . 1 . 2]" 1
469 1 24 PHE HB2 1 59 GLY H 3.000 . 4.000 3.966 3.928 4.015 0.015 15 0 "[ . 1 . 2]" 1
470 1 24 PHE HB3 1 24 PHE HD1 2.500 . 2.700 2.606 2.594 2.617 . 0 0 "[ . 1 . 2]" 1
471 1 24 PHE HB3 1 24 PHE HD2 3.000 . 3.800 3.556 3.548 3.561 . 0 0 "[ . 1 . 2]" 1
472 1 24 PHE HB3 1 57 TYR HB2 3.000 . 3.500 3.410 3.358 3.441 . 0 0 "[ . 1 . 2]" 1
473 1 24 PHE HB3 1 58 CYS HA 3.000 . 3.300 2.285 2.272 2.301 . 0 0 "[ . 1 . 2]" 1
474 1 24 PHE HB3 1 58 CYS HB3 4.000 . 4.500 4.467 4.442 4.505 0.005 12 0 "[ . 1 . 2]" 1
475 1 24 PHE HB3 1 59 GLY H 3.000 . 3.300 3.452 3.431 3.462 0.162 3 0 "[ . 1 . 2]" 1
476 1 24 PHE HD1 1 58 CYS HA 3.000 . 4.300 4.019 3.971 4.050 . 0 0 "[ . 1 . 2]" 1
477 1 24 PHE HD2 1 26 TYR H 4.000 . 4.500 4.204 4.040 4.446 . 0 0 "[ . 1 . 2]" 1
478 1 24 PHE HD2 1 26 TYR HA 3.000 . 4.500 3.657 3.341 3.888 . 0 0 "[ . 1 . 2]" 1
479 1 24 PHE HD2 1 57 TYR HB3 3.000 . 4.300 4.476 4.430 4.520 0.220 10 0 "[ . 1 . 2]" 1
480 1 24 PHE HE2 1 26 TYR HA 3.000 . 4.000 4.033 3.777 4.139 0.139 15 0 "[ . 1 . 2]" 1
481 1 24 PHE HE2 1 26 TYR QB 3.000 . 3.800 2.740 2.434 3.003 . 0 0 "[ . 1 . 2]" 1
482 1 25 PHE H 1 25 PHE HA 3.000 . 3.200 2.996 2.992 3.000 . 0 0 "[ . 1 . 2]" 1
483 1 25 PHE H 1 25 PHE HB2 3.000 . 4.000 3.734 3.714 3.744 . 0 0 "[ . 1 . 2]" 1
484 1 25 PHE H 1 25 PHE HB3 2.500 . 3.200 2.702 2.593 2.750 . 0 0 "[ . 1 . 2]" 1
485 1 25 PHE H 1 25 PHE HD1 4.000 . 4.500 4.729 4.613 4.770 0.270 14 0 "[ . 1 . 2]" 1
486 1 25 PHE H 1 25 PHE HD2 2.500 . 3.200 1.978 1.812 2.462 . 0 0 "[ . 1 . 2]" 1
487 1 25 PHE H 1 25 PHE HE2 4.000 . 4.500 4.033 3.890 4.432 . 0 0 "[ . 1 . 2]" 1
488 1 25 PHE H 1 26 TYR HA 4.000 . 6.000 4.953 4.840 5.097 . 0 0 "[ . 1 . 2]" 1
489 1 25 PHE H 1 57 TYR HB3 4.000 . 5.000 3.298 3.209 3.357 . 0 0 "[ . 1 . 2]" 1
490 1 25 PHE HA 1 26 TYR H 4.000 . 4.800 2.202 2.180 2.220 . 0 0 "[ . 1 . 2]" 1
491 1 25 PHE HB2 1 25 PHE HD1 2.500 . 2.700 2.354 2.339 2.436 . 0 0 "[ . 1 . 2]" 1
492 1 25 PHE HB2 1 25 PHE HD2 3.000 . 3.800 3.732 3.663 3.748 . 0 0 "[ . 1 . 2]" 1
493 1 25 PHE HB2 1 26 TYR H 2.500 . 3.500 3.563 3.486 3.606 0.106 18 0 "[ . 1 . 2]" 1
494 1 25 PHE HB3 1 25 PHE HD1 2.500 . 3.500 3.591 3.566 3.657 0.157 11 0 "[ . 1 . 2]" 1
495 1 25 PHE HB3 1 25 PHE HD2 2.500 . 2.700 2.545 2.424 2.586 . 0 0 "[ . 1 . 2]" 1
496 1 25 PHE HB3 1 26 TYR H 4.000 . 4.500 4.483 4.464 4.497 . 0 0 "[ . 1 . 2]" 1
497 1 25 PHE HB3 1 59 GLY H 4.000 . 5.000 5.127 5.100 5.152 0.152 6 0 "[ . 1 . 2]" 1
498 1 25 PHE HD2 1 57 TYR HB3 3.000 . 3.300 2.937 2.897 3.013 . 0 0 "[ . 1 . 2]" 1
499 1 25 PHE HE1 1 40 ILE HB 4.000 . 5.500 5.411 5.020 5.545 0.045 20 0 "[ . 1 . 2]" 1
500 1 25 PHE HE2 1 40 ILE HB 4.000 . 6.000 5.136 4.538 5.390 . 0 0 "[ . 1 . 2]" 1
501 1 25 PHE HE2 1 40 ILE HG12 4.000 . 4.800 4.751 4.653 4.841 0.041 18 0 "[ . 1 . 2]" 1
502 1 25 PHE HZ 1 36 ARG QD 4.000 . 4.500 3.345 2.174 4.067 . 0 0 "[ . 1 . 2]" 1
503 1 26 TYR H 1 26 TYR HA 3.000 . 3.500 2.982 2.935 3.008 . 0 0 "[ . 1 . 2]" 1
504 1 26 TYR H 1 26 TYR QB 2.500 . 3.000 2.392 2.301 2.493 . 0 0 "[ . 1 . 2]" 1
505 1 26 TYR H 1 26 TYR HD1 4.000 . 4.500 4.494 4.372 4.605 0.105 10 0 "[ . 1 . 2]" 1
506 1 26 TYR HA 1 26 TYR QB 2.500 . 2.700 2.489 2.466 2.520 . 0 0 "[ . 1 . 2]" 1
507 1 26 TYR HA 1 27 THR H 3.000 . 3.700 2.382 2.162 2.551 . 0 0 "[ . 1 . 2]" 1
508 1 26 TYR HD1 1 27 THR MG 4.000 . 6.000 4.634 4.323 4.824 . 0 0 "[ . 1 . 2]" 1
509 1 26 TYR HD2 1 27 THR MG 3.000 . 3.700 2.473 2.102 2.911 . 0 0 "[ . 1 . 2]" 1
510 1 26 TYR HE2 1 41 VAL MG1 4.000 . 5.500 4.523 4.343 4.606 . 0 0 "[ . 1 . 2]" 1
511 1 27 THR H 1 27 THR HB 2.500 . 3.000 2.680 2.291 3.065 0.065 11 0 "[ . 1 . 2]" 1
512 1 27 THR H 1 27 THR MG 3.000 . 4.000 2.117 1.766 3.047 0.034 5 0 "[ . 1 . 2]" 1
513 1 27 THR HA 1 27 THR MG 3.000 . 4.000 3.185 3.138 3.211 . 0 0 "[ . 1 . 2]" 1
514 1 27 THR HA 1 28 PRO HD2 2.500 . 2.700 2.342 2.211 2.484 . 0 0 "[ . 1 . 2]" 1
515 1 27 THR HA 1 28 PRO HD3 2.500 . 2.700 2.340 2.181 2.730 0.030 15 0 "[ . 1 . 2]" 1
516 1 27 THR MG 1 28 PRO HA 4.000 . 5.800 4.451 4.219 4.671 . 0 0 "[ . 1 . 2]" 1
517 1 27 THR MG 1 28 PRO HD3 4.000 . 5.500 4.522 4.249 4.691 . 0 0 "[ . 1 . 2]" 1
518 1 27 THR MG 1 29 ARG H 4.000 . 5.500 4.090 1.993 4.651 . 0 0 "[ . 1 . 2]" 1
519 1 27 THR MG 1 30 THR H 4.000 . 6.000 4.285 3.215 4.652 . 0 0 "[ . 1 . 2]" 1
520 1 28 PRO HA 1 28 PRO HG3 3.000 . 4.000 3.811 3.529 4.010 0.010 16 0 "[ . 1 . 2]" 1
521 1 28 PRO HA 1 29 ARG H 3.000 . 4.000 3.017 2.138 3.605 . 0 0 "[ . 1 . 2]" 1
522 1 28 PRO HA 1 29 ARG HD2 4.000 . 4.500 3.657 2.339 4.620 0.120 17 0 "[ . 1 . 2]" 1
523 1 28 PRO HA 1 29 ARG HD3 4.000 . 5.800 4.926 3.653 6.058 0.258 17 0 "[ . 1 . 2]" 1
524 1 28 PRO HB2 1 29 ARG H 3.000 . 4.200 3.315 1.811 4.194 . 0 0 "[ . 1 . 2]" 1
525 1 28 PRO HB3 1 29 ARG H 4.000 . 5.000 4.059 3.404 4.681 . 0 0 "[ . 1 . 2]" 1
526 1 28 PRO HD2 1 29 ARG H 4.000 . 6.000 3.829 2.283 5.643 . 0 0 "[ . 1 . 2]" 1
527 1 28 PRO HD3 1 29 ARG H 4.000 . 6.000 4.521 3.618 5.580 . 0 0 "[ . 1 . 2]" 1
528 1 28 PRO HD3 1 29 ARG HD2 4.000 . 5.800 5.557 4.027 5.900 0.100 6 0 "[ . 1 . 2]" 1
529 1 28 PRO HG3 1 30 THR H 4.000 . 6.000 5.582 4.463 6.236 0.236 9 0 "[ . 1 . 2]" 1
530 1 29 ARG H 1 29 ARG HA 2.500 . 3.200 2.745 2.330 2.984 . 0 0 "[ . 1 . 2]" 1
531 1 29 ARG H 1 29 ARG QB 3.000 . 3.700 3.120 2.215 3.450 . 0 0 "[ . 1 . 2]" 1
532 1 29 ARG H 1 29 ARG HG2 3.000 . 4.000 3.141 1.794 4.221 0.221 2 0 "[ . 1 . 2]" 1
533 1 29 ARG H 1 29 ARG HG3 3.000 . 4.200 3.590 2.645 4.322 0.122 15 0 "[ . 1 . 2]" 1
534 1 29 ARG HA 1 29 ARG HG2 4.000 . 5.000 3.631 3.397 4.236 . 0 0 "[ . 1 . 2]" 1
535 1 29 ARG HA 1 30 THR H 3.000 . 4.000 3.311 2.805 3.595 . 0 0 "[ . 1 . 2]" 1
536 1 29 ARG QB 1 30 THR H 3.000 . 4.300 3.188 1.831 4.003 . 0 0 "[ . 1 . 2]" 1
537 1 29 ARG HG2 1 30 THR H 4.000 . 5.000 3.834 1.777 5.028 0.028 13 0 "[ . 1 . 2]" 1
538 1 29 ARG HG3 1 30 THR H 4.000 . 5.000 4.514 2.140 5.284 0.284 15 0 "[ . 1 . 2]" 1
539 1 30 THR H 1 30 THR HA 2.500 . 2.900 2.789 2.337 2.988 0.088 18 0 "[ . 1 . 2]" 1
540 1 30 THR H 1 30 THR HB 3.000 . 4.000 3.748 3.218 4.096 0.096 9 0 "[ . 1 . 2]" 1
541 1 30 THR H 1 30 THR MG 3.000 . 3.500 2.418 1.708 2.986 0.092 15 0 "[ . 1 . 2]" 1
542 1 30 THR HA 1 30 THR MG 2.500 . 3.500 2.557 2.242 3.198 . 0 0 "[ . 1 . 2]" 1
543 1 30 THR HA 1 31 GLU H 3.000 . 3.800 2.658 2.184 3.577 . 0 0 "[ . 1 . 2]" 1
544 1 30 THR HA 1 32 GLU H 3.000 . 4.000 3.507 2.789 4.032 0.032 18 0 "[ . 1 . 2]" 1
545 1 30 THR HA 1 32 GLU QG 4.000 . 5.000 3.689 2.413 4.294 . 0 0 "[ . 1 . 2]" 1
546 1 30 THR HB 1 32 GLU H 3.000 . 4.000 3.615 2.834 4.290 0.290 19 0 "[ . 1 . 2]" 1
547 1 30 THR MG 1 31 GLU H 4.000 . 5.300 3.900 2.174 4.390 . 0 0 "[ . 1 . 2]" 1
548 1 30 THR MG 1 32 GLU H 4.000 . 5.500 4.143 1.826 4.688 . 0 0 "[ . 1 . 2]" 1
549 1 31 GLU H 1 31 GLU QB 3.000 . 4.000 2.676 2.280 3.350 . 0 0 "[ . 1 . 2]" 1
550 1 31 GLU H 1 31 GLU QG 2.500 . 3.400 2.364 1.781 3.012 0.019 10 0 "[ . 1 . 2]" 1
551 1 31 GLU HA 1 32 GLU H 3.000 . 4.000 3.200 2.764 3.472 . 0 0 "[ . 1 . 2]" 1
552 1 31 GLU HA 1 33 GLY H 3.000 . 4.000 3.759 3.098 4.258 0.258 16 0 "[ . 1 . 2]" 1
553 1 32 GLU H 1 32 GLU HB2 2.500 . 3.300 2.696 2.355 3.321 0.021 16 0 "[ . 1 . 2]" 1
554 1 32 GLU H 1 32 GLU QG 3.000 . 4.000 2.019 1.718 2.902 0.082 2 0 "[ . 1 . 2]" 1
555 1 32 GLU HA 1 33 GLY H 3.000 . 3.400 3.501 3.462 3.570 0.170 18 0 "[ . 1 . 2]" 1
556 1 32 GLU HB2 1 33 GLY H 2.500 . 2.900 2.722 1.999 2.958 0.058 13 0 "[ . 1 . 2]" 1
557 1 32 GLU HB3 1 33 GLY H 3.000 . 4.000 3.816 2.691 4.068 0.068 12 0 "[ . 1 . 2]" 1
558 1 32 GLU QG 1 33 GLY H 4.000 . 5.500 3.851 3.432 4.198 . 0 0 "[ . 1 . 2]" 1
559 1 33 GLY HA2 1 34 SER H 3.000 . 3.400 2.845 2.236 3.550 0.150 16 0 "[ . 1 . 2]" 1
560 1 33 GLY HA3 1 34 SER H 2.500 . 3.300 2.709 2.182 3.083 . 0 0 "[ . 1 . 2]" 1
561 1 34 SER H 1 34 SER HB2 3.000 . 3.800 3.045 2.485 3.685 . 0 0 "[ . 1 . 2]" 1
562 1 34 SER H 1 34 SER HB3 2.500 . 3.300 2.748 2.421 3.033 . 0 0 "[ . 1 . 2]" 1
563 1 34 SER HA 1 35 ARG H 3.000 . 3.400 3.179 2.542 3.558 0.158 19 0 "[ . 1 . 2]" 1
564 1 34 SER HB2 1 35 ARG H 3.000 . 3.400 3.152 1.913 3.542 0.142 17 0 "[ . 1 . 2]" 1
565 1 34 SER HB3 1 35 ARG H 2.500 . 3.200 2.329 1.789 3.179 0.011 20 0 "[ . 1 . 2]" 1
566 1 34 SER HB3 1 35 ARG HG2 4.000 . 5.000 3.744 2.479 4.967 . 0 0 "[ . 1 . 2]" 1
567 1 35 ARG H 1 35 ARG HB2 3.000 . 4.000 3.675 3.572 3.872 . 0 0 "[ . 1 . 2]" 1
568 1 35 ARG H 1 35 ARG HB3 3.000 . 3.900 3.226 2.811 3.682 . 0 0 "[ . 1 . 2]" 1
569 1 35 ARG H 1 35 ARG QD 4.000 . 5.000 3.893 3.558 4.333 . 0 0 "[ . 1 . 2]" 1
570 1 35 ARG H 1 35 ARG HG2 2.500 . 2.900 1.976 1.718 2.776 0.082 13 0 "[ . 1 . 2]" 1
571 1 35 ARG H 1 35 ARG HG3 2.500 . 2.900 2.619 2.245 2.982 0.082 7 0 "[ . 1 . 2]" 1
572 1 35 ARG HA 1 35 ARG HG2 4.000 . 5.000 3.607 3.566 3.847 . 0 0 "[ . 1 . 2]" 1
573 1 35 ARG HA 1 38 ARG HG2 4.000 . 5.000 3.615 2.308 5.016 0.016 12 0 "[ . 1 . 2]" 1
574 1 35 ARG HB2 1 36 ARG H 2.500 . 2.900 2.462 1.781 3.113 0.213 17 0 "[ . 1 . 2]" 1
575 1 35 ARG HB2 1 36 ARG HA 3.000 . 4.500 4.041 3.923 4.349 . 0 0 "[ . 1 . 2]" 1
576 1 35 ARG HB3 1 36 ARG H 3.000 . 4.000 3.577 3.218 3.912 . 0 0 "[ . 1 . 2]" 1
577 1 35 ARG QD 1 36 ARG H 4.000 . 5.500 3.352 1.954 3.940 . 0 0 "[ . 1 . 2]" 1
578 1 35 ARG HG2 1 36 ARG H 2.500 . 3.200 3.040 2.649 3.221 0.021 14 0 "[ . 1 . 2]" 1
579 1 35 ARG HG3 1 36 ARG H 3.000 . 3.400 1.734 1.701 1.797 0.099 1 0 "[ . 1 . 2]" 1
580 1 35 ARG HG3 1 36 ARG HA 3.000 . 4.000 3.938 3.628 4.253 0.253 7 0 "[ . 1 . 2]" 1
581 1 36 ARG H 1 36 ARG HB2 3.000 . 3.900 3.036 2.332 3.592 . 0 0 "[ . 1 . 2]" 1
582 1 36 ARG H 1 36 ARG HB3 3.000 . 4.000 3.758 2.504 4.070 0.070 20 0 "[ . 1 . 2]" 1
583 1 36 ARG H 1 36 ARG HG2 2.500 . 2.900 2.648 2.046 2.975 0.075 6 0 "[ . 1 . 2]" 1
584 1 36 ARG H 1 36 ARG HG3 3.000 . 4.000 3.078 1.874 4.124 0.124 12 0 "[ . 1 . 2]" 1
585 1 36 ARG HA 1 36 ARG HG2 3.000 . 3.800 2.588 2.315 3.585 . 0 0 "[ . 1 . 2]" 1
586 1 36 ARG HA 1 36 ARG HG3 4.000 . 5.000 3.555 3.234 3.812 . 0 0 "[ . 1 . 2]" 1
587 1 36 ARG HA 1 37 SER H 3.000 . 3.400 3.200 2.642 3.569 0.169 18 0 "[ . 1 . 2]" 1
588 1 36 ARG HB2 1 37 SER H 2.500 . 3.400 2.337 1.793 3.360 0.007 14 0 "[ . 1 . 2]" 1
589 1 36 ARG HB3 1 37 SER H 3.000 . 3.700 2.525 1.766 3.598 0.034 2 0 "[ . 1 . 2]" 1
590 1 36 ARG QD 1 37 SER H 4.000 . 5.500 4.043 2.763 4.912 . 0 0 "[ . 1 . 2]" 1
591 1 36 ARG HG2 1 37 SER H 3.000 . 4.200 4.272 3.728 4.479 0.279 7 0 "[ . 1 . 2]" 1
592 1 36 ARG HG3 1 37 SER H 3.000 . 4.500 4.122 2.586 4.588 0.088 13 0 "[ . 1 . 2]" 1
593 1 37 SER H 1 37 SER HB2 3.000 . 3.500 3.129 2.556 3.332 . 0 0 "[ . 1 . 2]" 1
594 1 37 SER H 1 37 SER HB3 2.500 . 3.400 2.893 2.090 3.487 0.087 7 0 "[ . 1 . 2]" 1
595 1 37 SER HA 1 38 ARG H 3.000 . 4.000 3.589 3.517 3.623 . 0 0 "[ . 1 . 2]" 1
596 1 37 SER HA 1 39 GLY H 3.000 . 4.000 3.767 3.515 4.029 0.029 13 0 "[ . 1 . 2]" 1
597 1 37 SER HB2 1 40 ILE MG 4.000 . 5.200 4.231 4.041 4.311 . 0 0 "[ . 1 . 2]" 1
598 1 38 ARG H 1 38 ARG HB3 2.500 . 2.900 2.628 2.460 2.780 . 0 0 "[ . 1 . 2]" 1
599 1 38 ARG H 1 38 ARG QD 4.000 . 5.000 3.760 3.501 4.185 . 0 0 "[ . 1 . 2]" 1
600 1 38 ARG H 1 38 ARG HG2 2.500 . 2.900 2.076 1.795 3.001 0.101 11 0 "[ . 1 . 2]" 1
601 1 38 ARG HA 1 38 ARG HG2 3.000 . 4.000 3.742 3.637 4.174 0.174 11 0 "[ . 1 . 2]" 1
602 1 38 ARG HA 1 38 ARG HG3 3.000 . 3.800 3.699 3.561 3.784 . 0 0 "[ . 1 . 2]" 1
603 1 38 ARG HA 1 39 GLY H 2.500 . 3.400 3.405 3.365 3.466 0.066 14 0 "[ . 1 . 2]" 1
604 1 38 ARG HA 1 41 VAL H 4.000 . 4.500 3.967 3.761 4.521 0.021 18 0 "[ . 1 . 2]" 1
605 1 38 ARG HA 1 42 GLU H 2.500 . 3.100 2.427 2.158 2.797 . 0 0 "[ . 1 . 2]" 1
606 1 38 ARG HA 1 42 GLU HB2 2.500 . 2.700 2.535 2.306 2.723 0.023 11 0 "[ . 1 . 2]" 1
607 1 38 ARG HA 1 42 GLU QG 2.500 . 3.200 2.425 2.194 2.927 . 0 0 "[ . 1 . 2]" 1
608 1 38 ARG HB2 1 39 GLY H 3.000 . 4.200 4.081 3.945 4.187 . 0 0 "[ . 1 . 2]" 1
609 1 38 ARG QD 1 39 GLY H 4.000 . 5.500 4.501 3.774 4.768 . 0 0 "[ . 1 . 2]" 1
610 1 38 ARG HG2 1 39 GLY H 3.000 . 4.000 3.167 2.487 4.031 0.031 11 0 "[ . 1 . 2]" 1
611 1 38 ARG HG3 1 39 GLY HA2 3.000 . 3.800 3.634 3.402 3.860 0.060 11 0 "[ . 1 . 2]" 1
612 1 38 ARG HG3 1 39 GLY HA3 3.000 . 4.000 3.892 3.700 4.018 0.018 20 0 "[ . 1 . 2]" 1
613 1 39 GLY H 1 39 GLY HA2 2.500 . 3.000 2.934 2.899 2.941 . 0 0 "[ . 1 . 2]" 1
614 1 39 GLY H 1 39 GLY HA3 2.500 . 2.700 2.373 2.356 2.378 . 0 0 "[ . 1 . 2]" 1
615 1 39 GLY HA2 1 43 GLN HB2 3.000 . 3.500 3.072 2.635 3.370 . 0 0 "[ . 1 . 2]" 1
616 1 40 ILE HA 1 40 ILE MG 3.000 . 4.000 3.188 3.179 3.192 . 0 0 "[ . 1 . 2]" 1
617 1 40 ILE HB 1 41 VAL H 2.500 . 3.700 3.556 3.525 3.578 . 0 0 "[ . 1 . 2]" 1
618 1 40 ILE HB 1 57 TYR HE1 3.000 . 3.500 3.606 3.559 3.632 0.132 11 0 "[ . 1 . 2]" 1
619 1 40 ILE MD 1 41 VAL HA 4.000 . 5.000 3.495 3.446 3.566 . 0 0 "[ . 1 . 2]" 1
620 1 40 ILE MD 1 44 CYS HB3 4.000 . 5.000 4.264 4.243 4.293 . 0 0 "[ . 1 . 2]" 1
621 1 40 ILE MD 1 54 LEU HA 3.000 . 4.000 3.136 3.099 3.162 . 0 0 "[ . 1 . 2]" 1
622 1 40 ILE MD 1 54 LEU MD2 2.500 . 3.500 2.215 2.182 2.245 . 0 0 "[ . 1 . 2]" 1
623 1 40 ILE MD 1 54 LEU HG 4.000 . 5.000 4.317 4.296 4.347 . 0 0 "[ . 1 . 2]" 1
624 1 40 ILE MD 1 57 TYR HD2 3.000 . 4.000 2.987 2.949 3.037 . 0 0 "[ . 1 . 2]" 1
625 1 40 ILE MD 1 57 TYR HE2 3.000 . 3.700 2.492 2.385 2.569 . 0 0 "[ . 1 . 2]" 1
626 1 40 ILE HG12 1 57 TYR HB3 3.000 . 4.000 3.698 3.677 3.715 . 0 0 "[ . 1 . 2]" 1
627 1 40 ILE HG12 1 57 TYR HE1 3.000 . 4.000 3.300 3.294 3.309 . 0 0 "[ . 1 . 2]" 1
628 1 40 ILE HG12 1 57 TYR HE2 3.000 . 4.000 3.318 3.305 3.336 . 0 0 "[ . 1 . 2]" 1
629 1 40 ILE MG 1 41 VAL H 3.000 . 3.200 1.709 1.675 1.728 0.125 7 0 "[ . 1 . 2]" 1
630 1 40 ILE MG 1 41 VAL HA 3.000 . 4.000 3.022 2.985 3.045 . 0 0 "[ . 1 . 2]" 1
631 1 40 ILE MG 1 41 VAL MG2 2.500 . 3.700 1.951 1.933 1.982 . 0 0 "[ . 1 . 2]" 1
632 1 41 VAL H 1 41 VAL HA 2.500 . 2.900 2.876 2.864 2.889 . 0 0 "[ . 1 . 2]" 1
633 1 41 VAL H 1 41 VAL HB 2.500 . 3.500 2.793 2.719 2.872 . 0 0 "[ . 1 . 2]" 1
634 1 41 VAL H 1 41 VAL MG1 4.000 . 4.500 3.765 3.743 3.786 . 0 0 "[ . 1 . 2]" 1
635 1 41 VAL H 1 41 VAL MG2 2.500 . 3.400 1.929 1.841 2.035 . 0 0 "[ . 1 . 2]" 1
636 1 41 VAL H 1 42 GLU H 3.000 . 3.500 2.993 2.935 3.017 . 0 0 "[ . 1 . 2]" 1
637 1 41 VAL HA 1 41 VAL MG1 2.500 . 3.200 2.252 2.227 2.304 . 0 0 "[ . 1 . 2]" 1
638 1 41 VAL HA 1 41 VAL MG2 2.500 . 3.800 2.485 2.421 2.538 . 0 0 "[ . 1 . 2]" 1
639 1 41 VAL HA 1 44 CYS H 4.000 . 5.000 3.988 3.934 4.047 . 0 0 "[ . 1 . 2]" 1
640 1 41 VAL HA 1 44 CYS HB2 3.000 . 3.700 3.490 3.413 3.524 . 0 0 "[ . 1 . 2]" 1
641 1 41 VAL HA 1 45 CYS H 3.000 . 3.800 3.438 3.383 3.538 . 0 0 "[ . 1 . 2]" 1
642 1 41 VAL HA 1 45 CYS HB2 3.000 . 3.700 3.750 3.687 3.791 0.091 17 0 "[ . 1 . 2]" 1
643 1 41 VAL HB 1 45 CYS H 4.000 . 5.500 5.236 5.187 5.312 . 0 0 "[ . 1 . 2]" 1
644 1 41 VAL MG1 1 45 CYS H 4.000 . 5.500 3.818 3.753 3.862 . 0 0 "[ . 1 . 2]" 1
645 1 41 VAL MG1 1 45 CYS HB2 2.500 . 3.500 2.706 2.637 2.766 . 0 0 "[ . 1 . 2]" 1
646 1 41 VAL MG1 1 46 ARG H 4.000 . 6.000 4.751 4.594 4.840 . 0 0 "[ . 1 . 2]" 1
647 1 42 GLU H 1 42 GLU HA 2.500 . 2.900 2.823 2.812 2.833 . 0 0 "[ . 1 . 2]" 1
648 1 42 GLU HA 1 42 GLU HB2 2.500 . 3.500 3.022 3.013 3.028 . 0 0 "[ . 1 . 2]" 1
649 1 42 GLU HA 1 42 GLU HB3 2.500 . 3.000 2.526 2.475 2.603 . 0 0 "[ . 1 . 2]" 1
650 1 42 GLU HA 1 42 GLU QG 2.500 . 3.400 2.545 2.279 2.803 . 0 0 "[ . 1 . 2]" 1
651 1 42 GLU HA 1 43 GLN H 3.000 . 3.800 3.593 3.584 3.604 . 0 0 "[ . 1 . 2]" 1
652 1 42 GLU HA 1 44 CYS H 4.000 . 5.000 4.539 4.413 4.687 . 0 0 "[ . 1 . 2]" 1
653 1 42 GLU HA 1 45 CYS H 3.000 . 4.000 3.712 3.567 3.812 . 0 0 "[ . 1 . 2]" 1
654 1 42 GLU HB2 1 43 GLN H 2.500 . 2.900 2.477 2.388 2.672 . 0 0 "[ . 1 . 2]" 1
655 1 42 GLU HB3 1 46 ARG H 3.000 . 4.000 3.974 3.828 4.064 0.064 7 0 "[ . 1 . 2]" 1
656 1 42 GLU QG 1 43 GLN H 4.000 . 5.000 4.120 3.954 4.374 . 0 0 "[ . 1 . 2]" 1
657 1 43 GLN H 1 43 GLN HA 2.500 . 2.900 2.778 2.757 2.794 . 0 0 "[ . 1 . 2]" 1
658 1 43 GLN H 1 43 GLN HB2 2.500 . 2.900 2.319 2.087 2.537 . 0 0 "[ . 1 . 2]" 1
659 1 43 GLN H 1 43 GLN HB3 3.000 . 3.200 2.880 2.601 3.241 0.041 4 0 "[ . 1 . 2]" 1
660 1 43 GLN HA 1 43 GLN HB2 2.500 . 2.800 2.589 2.447 2.792 . 0 0 "[ . 1 . 2]" 1
661 1 43 GLN HA 1 43 GLN HB3 3.000 . 3.300 3.013 2.955 3.033 . 0 0 "[ . 1 . 2]" 1
662 1 43 GLN HA 1 43 GLN HG2 3.000 . 3.900 2.875 2.282 3.679 . 0 0 "[ . 1 . 2]" 1
663 1 43 GLN HA 1 43 GLN HG3 3.000 . 3.800 2.954 2.328 3.625 . 0 0 "[ . 1 . 2]" 1
664 1 43 GLN HA 1 44 CYS H 4.000 . 5.000 3.588 3.577 3.604 . 0 0 "[ . 1 . 2]" 1
665 1 43 GLN HA 1 47 SER H 4.000 . 4.200 3.722 3.553 3.896 . 0 0 "[ . 1 . 2]" 1
666 1 43 GLN HB2 1 44 CYS H 3.000 . 3.800 3.604 3.297 3.770 . 0 0 "[ . 1 . 2]" 1
667 1 43 GLN HB3 1 44 CYS H 2.500 . 2.900 2.421 2.274 2.717 . 0 0 "[ . 1 . 2]" 1
668 1 43 GLN HB3 1 45 CYS H 4.000 . 5.300 4.986 4.844 5.258 . 0 0 "[ . 1 . 2]" 1
669 1 43 GLN HE21 1 43 GLN HG2 3.000 . 3.800 2.970 2.438 3.577 . 0 0 "[ . 1 . 2]" 1
670 1 43 GLN HE21 1 43 GLN HG3 3.000 . 4.000 3.069 2.280 3.620 . 0 0 "[ . 1 . 2]" 1
671 1 43 GLN HE21 1 49 CYS HB2 4.000 . 4.500 3.582 2.432 4.559 0.059 14 0 "[ . 1 . 2]" 1
672 1 43 GLN HE22 1 43 GLN HG2 4.000 . 4.600 3.819 3.586 4.101 . 0 0 "[ . 1 . 2]" 1
673 1 43 GLN HE22 1 43 GLN HG3 4.000 . 4.200 3.872 3.521 4.122 . 0 0 "[ . 1 . 2]" 1
674 1 43 GLN HG3 1 53 GLN HE22 3.000 . 3.800 2.979 1.911 3.844 0.044 13 0 "[ . 1 . 2]" 1
675 1 44 CYS H 1 44 CYS HA 2.500 . 3.000 2.917 2.894 2.933 . 0 0 "[ . 1 . 2]" 1
676 1 44 CYS H 1 44 CYS HB2 2.500 . 2.700 2.359 2.346 2.377 . 0 0 "[ . 1 . 2]" 1
677 1 44 CYS H 1 45 CYS H 2.500 . 2.900 2.602 2.516 2.671 . 0 0 "[ . 1 . 2]" 1
678 1 44 CYS H 1 49 CYS HB2 4.000 . 5.200 5.265 5.194 5.330 0.130 10 0 "[ . 1 . 2]" 1
679 1 44 CYS H 1 49 CYS HB3 3.000 . 4.000 3.958 3.879 4.003 0.003 10 0 "[ . 1 . 2]" 1
680 1 44 CYS H 1 54 LEU MD2 4.000 . 5.800 4.780 4.719 4.809 . 0 0 "[ . 1 . 2]" 1
681 1 44 CYS HA 1 44 CYS HB3 2.500 . 2.700 2.524 2.508 2.539 . 0 0 "[ . 1 . 2]" 1
682 1 44 CYS HA 1 45 CYS H 3.000 . 4.000 3.568 3.551 3.581 . 0 0 "[ . 1 . 2]" 1
683 1 44 CYS HA 1 47 SER H 3.000 . 3.800 3.653 3.579 3.785 . 0 0 "[ . 1 . 2]" 1
684 1 44 CYS HB2 1 45 CYS H 2.500 . 3.100 2.406 2.362 2.446 . 0 0 "[ . 1 . 2]" 1
685 1 44 CYS HB3 1 45 CYS H 3.000 . 3.300 3.332 3.299 3.357 0.057 10 0 "[ . 1 . 2]" 1
686 1 44 CYS HB3 1 54 LEU MD2 3.000 . 4.500 3.107 3.081 3.138 . 0 0 "[ . 1 . 2]" 1
687 1 45 CYS H 1 45 CYS HA 3.000 . 3.200 2.849 2.845 2.860 . 0 0 "[ . 1 . 2]" 1
688 1 45 CYS H 1 45 CYS HB2 3.000 . 3.500 2.533 2.511 2.549 . 0 0 "[ . 1 . 2]" 1
689 1 45 CYS H 1 45 CYS HB3 3.000 . 3.500 2.542 2.512 2.556 . 0 0 "[ . 1 . 2]" 1
690 1 45 CYS H 1 46 ARG H 3.000 . 3.200 2.849 2.773 2.908 . 0 0 "[ . 1 . 2]" 1
691 1 45 CYS H 1 46 ARG HA 4.000 . 6.000 5.444 5.395 5.479 . 0 0 "[ . 1 . 2]" 1
692 1 45 CYS H 1 47 SER H 3.000 . 4.000 4.056 4.009 4.097 0.097 5 0 "[ . 1 . 2]" 1
693 1 45 CYS HA 1 45 CYS HB2 3.000 . 3.600 2.478 2.463 2.488 . 0 0 "[ . 1 . 2]" 1
694 1 45 CYS HA 1 45 CYS HB3 2.500 . 3.100 3.031 3.029 3.033 . 0 0 "[ . 1 . 2]" 1
695 1 45 CYS HA 1 46 ARG H 3.000 . 4.000 3.584 3.570 3.597 . 0 0 "[ . 1 . 2]" 1
696 1 45 CYS HB2 1 46 ARG H 3.000 . 4.000 3.763 3.701 3.854 . 0 0 "[ . 1 . 2]" 1
697 1 45 CYS HB3 1 46 ARG H 2.500 . 3.100 2.350 2.267 2.506 . 0 0 "[ . 1 . 2]" 1
698 1 46 ARG H 1 46 ARG HA 2.500 . 2.900 2.874 2.855 2.889 . 0 0 "[ . 1 . 2]" 1
699 1 46 ARG H 1 46 ARG HB2 3.000 . 3.800 2.375 2.234 2.724 . 0 0 "[ . 1 . 2]" 1
700 1 46 ARG H 1 46 ARG HB3 2.500 . 2.900 2.765 2.454 2.909 0.009 1 0 "[ . 1 . 2]" 1
701 1 46 ARG H 1 46 ARG QD 4.000 . 5.500 4.453 4.224 4.754 . 0 0 "[ . 1 . 2]" 1
702 1 46 ARG H 1 46 ARG HG2 4.000 . 4.800 4.357 4.164 4.702 . 0 0 "[ . 1 . 2]" 1
703 1 46 ARG H 1 46 ARG HG3 4.000 . 4.500 4.528 4.424 4.591 0.091 5 0 "[ . 1 . 2]" 1
704 1 46 ARG H 1 47 SER H 2.500 . 2.900 2.643 2.576 2.707 . 0 0 "[ . 1 . 2]" 1
705 1 46 ARG HA 1 46 ARG QD 4.000 . 4.500 2.813 2.098 3.585 . 0 0 "[ . 1 . 2]" 1
706 1 46 ARG HA 1 46 ARG HG2 4.000 . 4.300 2.566 2.215 3.750 . 0 0 "[ . 1 . 2]" 1
707 1 46 ARG HA 1 46 ARG HG3 3.000 . 3.500 3.477 3.282 3.584 0.084 1 0 "[ . 1 . 2]" 1
708 1 46 ARG HA 1 47 SER H 3.000 . 4.000 3.557 3.545 3.570 . 0 0 "[ . 1 . 2]" 1
709 1 46 ARG HB2 1 47 SER H 3.000 . 4.000 3.785 3.689 3.996 . 0 0 "[ . 1 . 2]" 1
710 1 46 ARG HB3 1 46 ARG QD 3.000 . 4.000 2.552 2.192 3.537 . 0 0 "[ . 1 . 2]" 1
711 1 46 ARG HB3 1 47 SER H 3.000 . 4.200 2.757 2.667 2.875 . 0 0 "[ . 1 . 2]" 1
712 1 46 ARG QD 1 47 SER H 4.000 . 5.000 3.908 3.615 4.416 . 0 0 "[ . 1 . 2]" 1
713 1 46 ARG QD 1 47 SER HA 4.000 . 5.000 3.860 3.660 4.286 . 0 0 "[ . 1 . 2]" 1
714 1 46 ARG HG3 1 47 SER H 4.000 . 5.500 4.892 3.586 5.283 . 0 0 "[ . 1 . 2]" 1
715 1 47 SER H 1 47 SER HA 3.000 . 3.500 3.003 2.995 3.015 . 0 0 "[ . 1 . 2]" 1
716 1 47 SER H 1 47 SER HB2 3.000 . 3.300 2.786 2.637 2.902 . 0 0 "[ . 1 . 2]" 1
717 1 47 SER H 1 47 SER HB3 4.000 . 4.300 3.869 3.781 3.920 . 0 0 "[ . 1 . 2]" 1
718 1 47 SER HA 1 47 SER HB2 3.000 . 3.600 3.028 3.017 3.034 . 0 0 "[ . 1 . 2]" 1
719 1 47 SER HA 1 47 SER HB3 2.500 . 2.800 2.448 2.349 2.582 . 0 0 "[ . 1 . 2]" 1
720 1 47 SER HA 1 48 ILE H 3.000 . 3.200 2.290 2.261 2.331 . 0 0 "[ . 1 . 2]" 1
721 1 47 SER HB2 1 48 ILE H 4.000 . 5.000 3.884 3.721 4.128 . 0 0 "[ . 1 . 2]" 1
722 1 47 SER HB2 1 49 CYS HB3 4.000 . 4.800 4.534 4.271 4.784 . 0 0 "[ . 1 . 2]" 1
723 1 47 SER HB3 1 48 ILE H 3.000 . 3.200 2.917 2.765 3.084 . 0 0 "[ . 1 . 2]" 1
724 1 48 ILE H 1 48 ILE HA 2.500 . 3.300 2.883 2.878 2.889 . 0 0 "[ . 1 . 2]" 1
725 1 48 ILE H 1 48 ILE HB 2.500 . 2.900 2.642 2.514 2.713 . 0 0 "[ . 1 . 2]" 1
726 1 48 ILE H 1 48 ILE MD 4.000 . 4.800 3.467 3.345 3.566 . 0 0 "[ . 1 . 2]" 1
727 1 48 ILE H 1 48 ILE HG12 3.000 . 3.500 3.157 2.874 3.501 0.001 20 0 "[ . 1 . 2]" 1
728 1 48 ILE H 1 48 ILE HG13 4.000 . 4.500 1.900 1.813 2.081 . 0 0 "[ . 1 . 2]" 1
729 1 48 ILE H 1 48 ILE MG 4.000 . 5.000 3.768 3.755 3.778 . 0 0 "[ . 1 . 2]" 1
730 1 48 ILE HA 1 48 ILE MD 4.000 . 4.800 3.844 3.783 3.882 . 0 0 "[ . 1 . 2]" 1
731 1 48 ILE HA 1 48 ILE HG12 3.000 . 4.000 2.622 2.535 2.678 . 0 0 "[ . 1 . 2]" 1
732 1 48 ILE HA 1 48 ILE MG 2.500 . 3.400 2.305 2.256 2.354 . 0 0 "[ . 1 . 2]" 1
733 1 48 ILE HB 1 48 ILE MD 3.000 . 4.000 2.319 2.239 2.393 . 0 0 "[ . 1 . 2]" 1
734 1 49 CYS HA 1 50 SER H 3.000 . 3.200 2.258 2.236 2.309 . 0 0 "[ . 1 . 2]" 1
735 1 49 CYS HB2 1 50 SER H 3.000 . 3.200 3.058 2.877 3.151 . 0 0 "[ . 1 . 2]" 1
736 1 49 CYS HB2 1 53 GLN HE21 3.000 . 3.600 3.054 2.520 3.618 0.018 18 0 "[ . 1 . 2]" 1
737 1 49 CYS HB2 1 53 GLN HE22 3.000 . 4.000 2.993 2.574 3.415 . 0 0 "[ . 1 . 2]" 1
738 1 49 CYS HB3 1 50 SER H 4.000 . 4.300 4.173 4.077 4.234 . 0 0 "[ . 1 . 2]" 1
739 1 50 SER H 1 50 SER HA 2.500 . 3.100 2.897 2.881 2.953 . 0 0 "[ . 1 . 2]" 1
740 1 50 SER H 1 50 SER HB2 3.000 . 3.300 2.678 2.533 2.764 . 0 0 "[ . 1 . 2]" 1
741 1 50 SER H 1 50 SER HB3 3.000 . 4.000 3.623 3.606 3.663 . 0 0 "[ . 1 . 2]" 1
742 1 50 SER H 1 53 GLN H 3.000 . 4.000 3.997 3.775 4.027 0.027 15 0 "[ . 1 . 2]" 1
743 1 50 SER H 1 53 GLN HB2 3.000 . 4.000 3.941 3.775 4.024 0.024 19 0 "[ . 1 . 2]" 1
744 1 50 SER HA 1 50 SER HB2 2.500 . 3.100 3.022 3.015 3.031 . 0 0 "[ . 1 . 2]" 1
745 1 50 SER HA 1 51 LEU H 2.500 . 2.900 2.396 2.356 2.446 . 0 0 "[ . 1 . 2]" 1
746 1 50 SER HA 1 52 TYR H 4.000 . 5.000 4.167 4.108 4.263 . 0 0 "[ . 1 . 2]" 1
747 1 50 SER HB2 1 51 LEU H 3.000 . 3.500 3.519 3.480 3.547 0.047 12 0 "[ . 1 . 2]" 1
748 1 50 SER HB2 1 53 GLN H 3.000 . 3.700 3.155 3.028 3.429 . 0 0 "[ . 1 . 2]" 1
749 1 50 SER HB3 1 51 LEU H 3.000 . 3.200 2.636 2.455 2.757 . 0 0 "[ . 1 . 2]" 1
750 1 50 SER HB3 1 52 TYR H 3.000 . 3.500 3.014 2.866 3.101 . 0 0 "[ . 1 . 2]" 1
751 1 50 SER HB3 1 53 GLN HG3 4.000 . 5.000 4.985 4.866 5.067 0.067 2 0 "[ . 1 . 2]" 1
752 1 51 LEU H 1 51 LEU HA 2.500 . 2.900 2.821 2.807 2.834 . 0 0 "[ . 1 . 2]" 1
753 1 51 LEU H 1 51 LEU HB2 2.500 . 2.900 2.730 2.713 2.748 . 0 0 "[ . 1 . 2]" 1
754 1 51 LEU H 1 51 LEU HB3 3.000 . 4.000 3.610 3.604 3.615 . 0 0 "[ . 1 . 2]" 1
755 1 51 LEU H 1 51 LEU MD1 3.000 . 4.500 3.473 3.446 3.513 . 0 0 "[ . 1 . 2]" 1
756 1 51 LEU H 1 51 LEU MD2 3.000 . 3.500 2.799 2.654 2.849 . 0 0 "[ . 1 . 2]" 1
757 1 51 LEU H 1 51 LEU HG 2.500 . 3.300 1.787 1.775 1.794 0.025 20 0 "[ . 1 . 2]" 1
758 1 51 LEU H 1 52 TYR H 3.000 . 3.300 2.740 2.688 2.786 . 0 0 "[ . 1 . 2]" 1
759 1 51 LEU HA 1 51 LEU MD2 2.500 . 3.200 2.155 2.120 2.172 . 0 0 "[ . 1 . 2]" 1
760 1 51 LEU HA 1 51 LEU HG 4.000 . 5.000 3.193 3.165 3.244 . 0 0 "[ . 1 . 2]" 1
761 1 51 LEU HA 1 52 TYR H 3.000 . 4.000 3.520 3.510 3.535 . 0 0 "[ . 1 . 2]" 1
762 1 51 LEU HA 1 54 LEU H 3.000 . 4.000 3.239 3.162 3.291 . 0 0 "[ . 1 . 2]" 1
763 1 51 LEU HA 1 54 LEU MD1 3.000 . 4.000 2.434 2.294 2.767 . 0 0 "[ . 1 . 2]" 1
764 1 51 LEU HB2 1 52 TYR H 4.000 . 5.000 2.773 2.712 2.805 . 0 0 "[ . 1 . 2]" 1
765 1 51 LEU HB2 1 52 TYR HA 4.000 . 5.000 4.112 4.073 4.134 . 0 0 "[ . 1 . 2]" 1
766 1 51 LEU HB3 1 52 TYR H 3.000 . 4.000 3.945 3.904 3.973 . 0 0 "[ . 1 . 2]" 1
767 1 51 LEU HB3 1 53 GLN H 4.000 . 6.000 5.851 5.594 5.986 . 0 0 "[ . 1 . 2]" 1
768 1 51 LEU MD1 1 52 TYR H 4.000 . 5.500 4.561 4.535 4.606 . 0 0 "[ . 1 . 2]" 1
769 1 51 LEU MD2 1 52 TYR H 4.000 . 5.500 4.531 4.465 4.566 . 0 0 "[ . 1 . 2]" 1
770 1 51 LEU MD2 1 54 LEU MD1 3.000 . 4.000 2.338 2.260 2.481 . 0 0 "[ . 1 . 2]" 1
771 1 51 LEU HG 1 52 TYR H 3.000 . 4.200 4.003 3.975 4.026 . 0 0 "[ . 1 . 2]" 1
772 1 52 TYR H 1 52 TYR HA 3.000 . 3.200 2.791 2.781 2.800 . 0 0 "[ . 1 . 2]" 1
773 1 52 TYR H 1 52 TYR HB2 2.500 . 2.900 2.255 2.184 2.295 . 0 0 "[ . 1 . 2]" 1
774 1 52 TYR H 1 52 TYR HB3 2.500 . 3.400 2.928 2.882 3.014 . 0 0 "[ . 1 . 2]" 1
775 1 52 TYR H 1 52 TYR HD2 4.000 . 4.300 4.249 4.039 4.346 0.046 17 0 "[ . 1 . 2]" 1
776 1 52 TYR H 1 54 LEU H 4.000 . 4.500 4.392 4.322 4.515 0.015 11 0 "[ . 1 . 2]" 1
777 1 52 TYR HA 1 52 TYR HD1 3.000 . 3.700 3.530 3.513 3.545 . 0 0 "[ . 1 . 2]" 1
778 1 52 TYR HA 1 52 TYR HD2 2.500 . 3.300 3.292 3.242 3.313 0.013 14 0 "[ . 1 . 2]" 1
779 1 52 TYR HA 1 53 GLN H 3.000 . 4.000 3.581 3.558 3.591 . 0 0 "[ . 1 . 2]" 1
780 1 52 TYR HA 1 55 GLU H 3.000 . 4.000 3.589 3.440 3.963 . 0 0 "[ . 1 . 2]" 1
781 1 52 TYR HA 1 55 GLU HB3 2.500 . 3.000 2.783 2.602 3.019 0.019 11 0 "[ . 1 . 2]" 1
782 1 52 TYR HB2 1 52 TYR HD1 3.000 . 3.600 3.711 3.697 3.717 0.117 14 0 "[ . 1 . 2]" 1
783 1 52 TYR HB2 1 52 TYR HD2 2.500 . 3.200 2.379 2.368 2.396 . 0 0 "[ . 1 . 2]" 1
784 1 52 TYR HB2 1 53 GLN H 3.000 . 3.500 3.519 3.418 3.571 0.071 11 0 "[ . 1 . 2]" 1
785 1 52 TYR HB3 1 53 GLN H 3.000 . 3.200 2.342 2.217 2.573 . 0 0 "[ . 1 . 2]" 1
786 1 52 TYR HD1 1 53 GLN H 4.000 . 5.000 3.662 3.388 4.015 . 0 0 "[ . 1 . 2]" 1
787 1 52 TYR HD1 1 53 GLN HG2 4.000 . 5.000 3.852 3.563 4.316 . 0 0 "[ . 1 . 2]" 1
788 1 52 TYR HD1 1 56 ASN H 4.000 . 6.500 5.080 4.881 5.571 . 0 0 "[ . 1 . 2]" 1
789 1 53 GLN H 1 53 GLN HA 2.500 . 3.100 2.863 2.837 2.917 . 0 0 "[ . 1 . 2]" 1
790 1 53 GLN H 1 53 GLN HB2 3.000 . 3.500 2.617 2.515 2.676 . 0 0 "[ . 1 . 2]" 1
791 1 53 GLN H 1 53 GLN HG2 2.500 . 3.400 3.061 2.869 3.259 . 0 0 "[ . 1 . 2]" 1
792 1 53 GLN H 1 53 GLN HG3 2.500 . 2.700 1.974 1.873 2.205 . 0 0 "[ . 1 . 2]" 1
793 1 53 GLN H 1 54 LEU H 3.000 . 3.200 2.790 2.653 2.857 . 0 0 "[ . 1 . 2]" 1
794 1 53 GLN HA 1 53 GLN HB2 3.000 . 3.300 3.032 3.025 3.037 . 0 0 "[ . 1 . 2]" 1
795 1 53 GLN HA 1 53 GLN HB3 2.500 . 3.000 2.432 2.399 2.478 . 0 0 "[ . 1 . 2]" 1
796 1 53 GLN HA 1 53 GLN HG2 2.500 . 2.700 2.504 2.384 2.581 . 0 0 "[ . 1 . 2]" 1
797 1 53 GLN HA 1 53 GLN HG3 2.500 . 3.200 3.206 3.041 3.292 0.092 19 0 "[ . 1 . 2]" 1
798 1 53 GLN HA 1 54 LEU H 3.000 . 4.000 3.589 3.583 3.598 . 0 0 "[ . 1 . 2]" 1
799 1 53 GLN HA 1 56 ASN H 3.000 . 4.000 3.282 3.237 3.323 . 0 0 "[ . 1 . 2]" 1
800 1 53 GLN HA 1 56 ASN HB3 3.000 . 3.300 3.249 3.160 3.296 . 0 0 "[ . 1 . 2]" 1
801 1 53 GLN HA 1 56 ASN HD21 3.000 . 4.000 3.404 3.394 3.421 . 0 0 "[ . 1 . 2]" 1
802 1 53 GLN HA 1 56 ASN HD22 4.000 . 5.000 5.057 5.046 5.076 0.076 6 0 "[ . 1 . 2]" 1
803 1 53 GLN HA 1 57 TYR HD2 4.000 . 5.300 5.383 5.349 5.440 0.140 20 0 "[ . 1 . 2]" 1
804 1 53 GLN HB2 1 53 GLN HE21 3.000 . 4.000 3.228 2.469 3.947 . 0 0 "[ . 1 . 2]" 1
805 1 53 GLN HB2 1 54 LEU H 4.000 . 5.000 2.353 2.292 2.395 . 0 0 "[ . 1 . 2]" 1
806 1 53 GLN HB2 1 55 GLU H 4.000 . 5.000 4.658 4.577 4.730 . 0 0 "[ . 1 . 2]" 1
807 1 53 GLN HB2 1 57 TYR HE2 3.000 . 3.800 3.584 3.483 3.714 . 0 0 "[ . 1 . 2]" 1
808 1 53 GLN HB3 1 54 LEU H 3.000 . 4.000 3.563 3.411 3.626 . 0 0 "[ . 1 . 2]" 1
809 1 53 GLN HE21 1 53 GLN HG2 3.000 . 3.300 3.002 2.506 3.390 0.090 19 0 "[ . 1 . 2]" 1
810 1 53 GLN HE22 1 53 GLN HG2 3.000 . 4.000 3.829 3.612 4.008 0.008 19 0 "[ . 1 . 2]" 1
811 1 53 GLN HG3 1 54 LEU H 4.000 . 4.200 4.002 3.890 4.128 . 0 0 "[ . 1 . 2]" 1
812 1 54 LEU H 1 54 LEU HA 3.000 . 3.200 2.818 2.809 2.825 . 0 0 "[ . 1 . 2]" 1
813 1 54 LEU H 1 54 LEU HB2 2.500 . 3.000 2.532 2.514 2.554 . 0 0 "[ . 1 . 2]" 1
814 1 54 LEU H 1 54 LEU HB3 3.000 . 4.000 3.622 3.616 3.630 . 0 0 "[ . 1 . 2]" 1
815 1 54 LEU H 1 54 LEU MD1 3.000 . 4.500 3.509 3.492 3.550 . 0 0 "[ . 1 . 2]" 1
816 1 54 LEU H 1 54 LEU MD2 3.000 . 4.200 3.236 3.196 3.272 . 0 0 "[ . 1 . 2]" 1
817 1 54 LEU H 1 54 LEU HG 3.000 . 3.200 2.038 2.015 2.059 . 0 0 "[ . 1 . 2]" 1
818 1 54 LEU HA 1 54 LEU HB2 2.500 . 2.800 3.002 2.999 3.004 0.204 4 0 "[ . 1 . 2]" 1
819 1 54 LEU HA 1 54 LEU HB3 2.500 . 2.900 2.470 2.462 2.474 . 0 0 "[ . 1 . 2]" 1
820 1 54 LEU HA 1 54 LEU MD1 4.000 . 4.500 3.788 3.783 3.797 . 0 0 "[ . 1 . 2]" 1
821 1 54 LEU HA 1 54 LEU MD2 2.500 . 3.200 2.083 2.073 2.095 . 0 0 "[ . 1 . 2]" 1
822 1 54 LEU HA 1 54 LEU HG 4.000 . 5.000 2.944 2.928 2.972 . 0 0 "[ . 1 . 2]" 1
823 1 54 LEU HA 1 55 GLU H 4.000 . 5.000 3.465 3.446 3.481 . 0 0 "[ . 1 . 2]" 1
824 1 54 LEU HA 1 56 ASN H 3.000 . 3.700 3.584 3.545 3.612 . 0 0 "[ . 1 . 2]" 1
825 1 54 LEU HA 1 57 TYR H 3.000 . 4.000 3.770 3.738 3.794 . 0 0 "[ . 1 . 2]" 1
826 1 54 LEU HA 1 57 TYR HD2 2.500 . 2.700 2.153 2.144 2.165 . 0 0 "[ . 1 . 2]" 1
827 1 54 LEU HA 1 57 TYR HE2 2.500 . 3.000 2.350 2.336 2.386 . 0 0 "[ . 1 . 2]" 1
828 1 54 LEU HB2 1 55 GLU H 2.500 . 3.200 2.697 2.617 2.766 . 0 0 "[ . 1 . 2]" 1
829 1 54 LEU HB3 1 55 GLU H 3.000 . 4.000 3.742 3.669 3.804 . 0 0 "[ . 1 . 2]" 1
830 1 54 LEU MD2 1 55 GLU H 4.000 . 5.500 4.604 4.588 4.611 . 0 0 "[ . 1 . 2]" 1
831 1 54 LEU MD2 1 56 ASN H 4.000 . 6.200 5.053 5.037 5.064 . 0 0 "[ . 1 . 2]" 1
832 1 54 LEU MD2 1 57 TYR HD2 3.000 . 4.000 3.331 3.317 3.349 . 0 0 "[ . 1 . 2]" 1
833 1 54 LEU MD2 1 57 TYR HE2 3.000 . 3.800 2.773 2.733 2.821 . 0 0 "[ . 1 . 2]" 1
834 1 54 LEU HG 1 55 GLU H 3.000 . 4.000 4.184 4.162 4.197 0.197 19 0 "[ . 1 . 2]" 1
835 1 55 GLU H 1 55 GLU HA 3.000 . 3.500 2.892 2.881 2.901 . 0 0 "[ . 1 . 2]" 1
836 1 55 GLU H 1 55 GLU HB2 2.500 . 3.300 2.383 2.320 2.423 . 0 0 "[ . 1 . 2]" 1
837 1 55 GLU H 1 55 GLU HB3 3.000 . 3.500 2.760 2.670 2.824 . 0 0 "[ . 1 . 2]" 1
838 1 55 GLU H 1 55 GLU HG2 4.000 . 4.500 4.447 4.303 4.523 0.023 8 0 "[ . 1 . 2]" 1
839 1 55 GLU H 1 55 GLU HG3 4.000 . 4.700 4.459 4.349 4.618 . 0 0 "[ . 1 . 2]" 1
840 1 55 GLU H 1 56 ASN H 2.500 . 3.000 2.507 2.472 2.549 . 0 0 "[ . 1 . 2]" 1
841 1 55 GLU HA 1 55 GLU HB2 2.500 . 3.100 2.603 2.558 2.637 . 0 0 "[ . 1 . 2]" 1
842 1 55 GLU HA 1 55 GLU HB3 2.500 . 2.900 3.001 2.998 3.009 0.109 11 0 "[ . 1 . 2]" 1
843 1 55 GLU HA 1 55 GLU HG2 2.500 . 2.700 2.497 2.267 2.698 . 0 0 "[ . 1 . 2]" 1
844 1 55 GLU HA 1 55 GLU HG3 3.000 . 3.500 2.941 2.499 3.556 0.056 20 0 "[ . 1 . 2]" 1
845 1 55 GLU HA 1 56 ASN H 3.000 . 3.400 3.348 3.343 3.353 . 0 0 "[ . 1 . 2]" 1
846 1 55 GLU HA 1 57 TYR H 2.500 . 3.800 3.871 3.849 3.896 0.096 10 0 "[ . 1 . 2]" 1
847 1 55 GLU HA 1 58 CYS H 3.000 . 3.500 3.372 3.330 3.431 . 0 0 "[ . 1 . 2]" 1
848 1 55 GLU HB3 1 56 ASN H 3.000 . 3.700 3.347 3.307 3.376 . 0 0 "[ . 1 . 2]" 1
849 1 55 GLU HB3 1 58 CYS H 4.000 . 5.300 5.441 5.416 5.458 0.158 11 0 "[ . 1 . 2]" 1
850 1 55 GLU HG2 1 58 CYS H 4.000 . 5.000 4.686 4.530 5.005 0.005 2 0 "[ . 1 . 2]" 1
851 1 56 ASN H 1 56 ASN HA 2.500 . 3.100 2.920 2.916 2.923 . 0 0 "[ . 1 . 2]" 1
852 1 56 ASN H 1 56 ASN HB2 2.500 . 2.900 2.422 2.404 2.445 . 0 0 "[ . 1 . 2]" 1
853 1 56 ASN H 1 56 ASN HB3 2.500 . 2.900 2.707 2.683 2.727 . 0 0 "[ . 1 . 2]" 1
854 1 56 ASN H 1 57 TYR H 2.500 . 3.000 2.493 2.478 2.509 . 0 0 "[ . 1 . 2]" 1
855 1 56 ASN H 1 57 TYR HB2 4.000 . 5.300 5.001 4.979 5.026 . 0 0 "[ . 1 . 2]" 1
856 1 56 ASN H 1 57 TYR HE2 4.000 . 4.300 3.919 3.882 3.965 . 0 0 "[ . 1 . 2]" 1
857 1 56 ASN HA 1 56 ASN HB2 2.500 . 2.800 2.583 2.569 2.597 . 0 0 "[ . 1 . 2]" 1
858 1 56 ASN HA 1 56 ASN HB3 2.500 . 3.200 3.019 3.017 3.020 . 0 0 "[ . 1 . 2]" 1
859 1 56 ASN HA 1 57 TYR H 3.000 . 3.500 3.479 3.471 3.486 . 0 0 "[ . 1 . 2]" 1
860 1 56 ASN HA 1 58 CYS H 3.000 . 4.000 4.043 4.018 4.061 0.061 17 0 "[ . 1 . 2]" 1
861 1 56 ASN HB2 1 56 ASN HD21 3.000 . 3.300 2.360 2.296 2.425 . 0 0 "[ . 1 . 2]" 1
862 1 56 ASN HB2 1 56 ASN HD22 3.000 . 3.800 3.550 3.526 3.578 . 0 0 "[ . 1 . 2]" 1
863 1 56 ASN HB2 1 57 TYR H 3.000 . 4.000 3.969 3.944 3.988 . 0 0 "[ . 1 . 2]" 1
864 1 56 ASN HB3 1 56 ASN HD21 3.000 . 3.300 3.000 2.900 3.109 . 0 0 "[ . 1 . 2]" 1
865 1 56 ASN HB3 1 56 ASN HD22 3.000 . 4.000 3.822 3.776 3.872 . 0 0 "[ . 1 . 2]" 1
866 1 56 ASN HB3 1 57 TYR H 2.500 . 3.000 3.043 3.030 3.057 0.057 7 0 "[ . 1 . 2]" 1
867 1 57 TYR H 1 57 TYR HA 2.500 . 3.000 2.978 2.975 2.982 . 0 0 "[ . 1 . 2]" 1
868 1 57 TYR H 1 57 TYR HB2 2.500 . 3.000 2.705 2.695 2.722 . 0 0 "[ . 1 . 2]" 1
869 1 57 TYR H 1 57 TYR HB3 3.000 . 3.500 3.673 3.667 3.680 0.180 20 0 "[ . 1 . 2]" 1
870 1 57 TYR H 1 57 TYR HD2 2.500 . 2.900 2.336 2.297 2.364 . 0 0 "[ . 1 . 2]" 1
871 1 57 TYR H 1 57 TYR HE2 3.000 . 4.200 4.036 3.997 4.058 . 0 0 "[ . 1 . 2]" 1
872 1 57 TYR H 1 58 CYS H 2.500 . 2.900 2.261 2.212 2.314 . 0 0 "[ . 1 . 2]" 1
873 1 57 TYR HA 1 57 TYR HB2 2.500 . 3.100 3.013 3.012 3.015 . 0 0 "[ . 1 . 2]" 1
874 1 57 TYR HA 1 57 TYR HB3 2.500 . 2.800 2.359 2.356 2.363 . 0 0 "[ . 1 . 2]" 1
875 1 57 TYR HA 1 57 TYR HD1 2.500 . 3.500 2.867 2.835 2.898 . 0 0 "[ . 1 . 2]" 1
876 1 57 TYR HA 1 58 CYS H 2.500 . 3.300 3.364 3.355 3.377 0.077 14 0 "[ . 1 . 2]" 1
877 1 57 TYR HB2 1 57 TYR HD1 3.000 . 3.800 3.740 3.723 3.749 . 0 0 "[ . 1 . 2]" 1
878 1 57 TYR HB2 1 58 CYS H 3.000 . 3.800 3.380 3.321 3.432 . 0 0 "[ . 1 . 2]" 1
879 1 57 TYR HB3 1 57 TYR HD1 2.500 . 2.700 2.552 2.523 2.567 . 0 0 "[ . 1 . 2]" 1
880 1 57 TYR HB3 1 57 TYR HD2 3.000 . 3.800 3.589 3.579 3.604 . 0 0 "[ . 1 . 2]" 1
881 1 57 TYR HB3 1 57 TYR HE1 4.000 . 4.700 4.768 4.751 4.778 0.078 4 0 "[ . 1 . 2]" 1
882 1 57 TYR HB3 1 58 CYS H 4.000 . 4.700 4.359 4.325 4.384 . 0 0 "[ . 1 . 2]" 1
883 1 58 CYS H 1 58 CYS HA 2.500 . 3.100 2.839 2.833 2.850 . 0 0 "[ . 1 . 2]" 1
884 1 58 CYS H 1 58 CYS HB2 2.500 . 2.700 2.489 2.460 2.550 . 0 0 "[ . 1 . 2]" 1
885 1 58 CYS H 1 58 CYS HB3 3.000 . 3.500 3.599 3.591 3.613 0.113 14 0 "[ . 1 . 2]" 1
886 1 58 CYS H 1 59 GLY H 4.000 . 4.600 4.255 4.192 4.324 . 0 0 "[ . 1 . 2]" 1
887 1 58 CYS HA 1 58 CYS HB2 3.000 . 3.300 3.025 3.023 3.029 . 0 0 "[ . 1 . 2]" 1
888 1 58 CYS HA 1 58 CYS HB3 2.500 . 2.700 2.483 2.465 2.496 . 0 0 "[ . 1 . 2]" 1
889 1 58 CYS HA 1 59 GLY H 2.500 . 2.900 2.223 2.193 2.256 . 0 0 "[ . 1 . 2]" 1
890 1 58 CYS HB2 1 59 GLY H 4.000 . 5.000 4.474 4.436 4.494 . 0 0 "[ . 1 . 2]" 1
891 1 58 CYS HB3 1 59 GLY H 4.000 . 5.000 3.937 3.854 4.009 . 0 0 "[ . 1 . 2]" 1
892 1 59 GLY H 1 59 GLY QA 2.500 . 2.700 2.371 2.239 2.540 . 0 0 "[ . 1 . 2]" 1
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