NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377293 |
1g47   |
4884 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g47
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 1025
_Distance_constraint_stats_list.Viol_count 2486
_Distance_constraint_stats_list.Viol_total 6999.696
_Distance_constraint_stats_list.Viol_max 1.085
_Distance_constraint_stats_list.Viol_rms 0.0455
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.1126
_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 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 SER 1.417 0.262 22 0 "[ . 1 . 2 .]"
1 12 ALA 1.350 0.262 22 0 "[ . 1 . 2 .]"
1 13 THR 5.581 0.265 23 0 "[ . 1 . 2 .]"
1 14 CYS 22.730 0.313 18 0 "[ . 1 . 2 .]"
1 15 GLU 2.391 0.190 11 0 "[ . 1 . 2 .]"
1 16 ARG 7.591 0.357 1 0 "[ . 1 . 2 .]"
1 17 CYS 3.188 0.141 24 0 "[ . 1 . 2 .]"
1 18 LYS 6.540 0.297 23 0 "[ . 1 . 2 .]"
1 19 GLY 6.670 0.250 23 0 "[ . 1 . 2 .]"
1 20 GLY 2.257 0.150 17 0 "[ . 1 . 2 .]"
1 21 PHE 18.227 0.279 24 0 "[ . 1 . 2 .]"
1 22 ALA 1.740 0.110 22 0 "[ . 1 . 2 .]"
1 23 PRO 0.492 0.112 10 0 "[ . 1 . 2 .]"
1 24 ALA 0.214 0.112 10 0 "[ . 1 . 2 .]"
1 25 GLU 5.326 0.244 10 0 "[ . 1 . 2 .]"
1 26 LYS 5.020 0.244 10 0 "[ . 1 . 2 .]"
1 27 ILE 4.714 0.485 17 0 "[ . 1 . 2 .]"
1 28 VAL 6.530 0.337 3 0 "[ . 1 . 2 .]"
1 29 ASN 9.694 0.338 18 0 "[ . 1 . 2 .]"
1 30 SER 6.440 0.337 3 0 "[ . 1 . 2 .]"
1 31 ASN 6.650 0.273 7 0 "[ . 1 . 2 .]"
1 32 GLY 5.109 0.273 7 0 "[ . 1 . 2 .]"
1 33 GLU 4.449 0.349 19 0 "[ . 1 . 2 .]"
1 34 LEU 12.741 0.314 17 0 "[ . 1 . 2 .]"
1 35 TYR 23.942 0.338 18 0 "[ . 1 . 2 .]"
1 36 HIS 15.959 0.448 24 0 "[ . 1 . 2 .]"
1 37 GLU 15.201 0.448 24 0 "[ . 1 . 2 .]"
1 38 GLN 6.570 0.242 4 0 "[ . 1 . 2 .]"
1 39 CYS 26.271 0.357 1 0 "[ . 1 . 2 .]"
1 40 PHE 36.332 0.498 10 0 "[ . 1 . 2 .]"
1 41 VAL 9.555 0.346 7 0 "[ . 1 . 2 .]"
1 42 CYS 10.050 0.268 2 0 "[ . 1 . 2 .]"
1 43 ALA 6.939 0.346 7 0 "[ . 1 . 2 .]"
1 44 GLN 2.760 0.214 2 0 "[ . 1 . 2 .]"
1 45 CYS 1.214 0.156 21 0 "[ . 1 . 2 .]"
1 46 PHE 3.611 0.260 5 0 "[ . 1 . 2 .]"
1 47 GLN 1.144 0.216 16 0 "[ . 1 . 2 .]"
1 48 GLN 13.356 0.542 14 1 "[ . 1 +. 2 .]"
1 49 PHE 10.601 0.542 14 1 "[ . 1 +. 2 .]"
1 50 PRO 6.263 0.199 12 0 "[ . 1 . 2 .]"
1 51 GLU 2.018 0.199 12 0 "[ . 1 . 2 .]"
1 52 GLY 2.359 0.498 10 0 "[ . 1 . 2 .]"
1 53 LEU 2.073 0.305 10 0 "[ . 1 . 2 .]"
1 54 PHE 5.790 0.323 2 0 "[ . 1 . 2 .]"
1 55 TYR 7.012 0.331 8 0 "[ . 1 . 2 .]"
1 56 GLU 9.728 0.623 19 2 "[ . - 1 . +2 .]"
1 57 PHE 4.349 0.267 23 0 "[ . 1 . 2 .]"
1 58 GLU 3.520 0.205 4 0 "[ . 1 . 2 .]"
1 59 GLY 1.865 0.263 4 0 "[ . 1 . 2 .]"
1 60 ARG 1.834 0.263 4 0 "[ . 1 . 2 .]"
1 61 LYS 13.182 0.338 1 0 "[ . 1 . 2 .]"
1 62 TYR 16.473 0.916 8 1 "[ . + 1 . 2 .]"
1 63 CYS 10.137 0.298 22 0 "[ . 1 . 2 .]"
1 64 GLU 2.627 0.331 8 0 "[ . 1 . 2 .]"
1 65 HIS 11.549 0.402 21 0 "[ . 1 . 2 .]"
1 66 ASP 7.118 0.250 25 0 "[ . 1 . 2 .]"
1 67 PHE 12.384 0.916 8 1 "[ . + 1 . 2 .]"
1 68 GLN 17.475 0.422 24 0 "[ . 1 . 2 .]"
1 69 MET 9.763 1.085 24 5 "[ . *1 -. * 2 * +.]"
1 70 LEU 7.403 0.422 24 0 "[ . 1 . 2 .]"
1 71 PHE 12.426 1.085 24 5 "[ . *1 -. * 2 * +.]"
1 72 ALA 4.403 0.528 18 1 "[ . 1 . + 2 .]"
1 73 PRO 3.421 0.455 18 0 "[ . 1 . 2 .]"
1 74 CYS 2.098 0.528 18 1 "[ . 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 10 ALA MB 1 11 SER HA 4.000 . 5.400 4.214 3.811 5.060 . 0 0 "[ . 1 . 2 .]" 1
2 1 11 SER HA 1 11 SER HB3 3.000 . 4.000 2.539 2.342 3.036 . 0 0 "[ . 1 . 2 .]" 1
3 1 11 SER HB2 1 12 ALA HA 4.000 . 5.700 5.072 4.466 5.824 0.124 7 0 "[ . 1 . 2 .]" 1
4 1 12 ALA HA 1 13 THR MG 4.000 . 5.400 3.501 3.242 3.918 . 0 0 "[ . 1 . 2 .]" 1
5 1 13 THR HA 1 13 THR HB 2.500 . 2.700 2.471 2.408 2.565 . 0 0 "[ . 1 . 2 .]" 1
6 1 13 THR HA 1 18 LYS HA 4.000 . 5.000 4.154 4.047 4.324 . 0 0 "[ . 1 . 2 .]" 1
7 1 13 THR MG 1 18 LYS HA 4.000 . 5.400 3.902 3.780 4.007 . 0 0 "[ . 1 . 2 .]" 1
8 1 13 THR HB 1 18 LYS HA 3.000 . 3.300 2.289 2.087 2.490 . 0 0 "[ . 1 . 2 .]" 1
9 1 13 THR HB 1 20 GLY HA3 4.000 . 5.700 4.920 4.591 5.267 . 0 0 "[ . 1 . 2 .]" 1
10 1 13 THR HA 1 20 GLY HA3 4.000 . 5.700 3.998 3.874 4.077 . 0 0 "[ . 1 . 2 .]" 1
11 1 13 THR MG 1 20 GLY HA2 2.500 . 3.800 2.159 2.066 2.229 . 0 0 "[ . 1 . 2 .]" 1
12 1 13 THR HA 1 21 PHE HE1 4.000 . 5.000 3.205 3.088 3.303 . 0 0 "[ . 1 . 2 .]" 1
13 1 14 CYS HA 1 14 CYS HB3 2.500 . 2.700 3.007 2.981 3.013 0.313 18 0 "[ . 1 . 2 .]" 1
14 1 14 CYS HA 1 15 GLU QB 4.000 . 5.700 4.106 3.972 4.198 . 0 0 "[ . 1 . 2 .]" 1
15 1 14 CYS HB3 1 18 LYS HA 4.000 . 5.000 3.178 3.067 3.437 . 0 0 "[ . 1 . 2 .]" 1
16 1 14 CYS HB2 1 18 LYS HA 4.000 . 5.000 4.321 4.201 4.830 . 0 0 "[ . 1 . 2 .]" 1
17 1 14 CYS H 1 18 LYS HA 2.500 . 2.700 2.773 2.731 2.814 0.114 12 0 "[ . 1 . 2 .]" 1
18 1 14 CYS HB2 1 19 GLY HA3 4.000 . 5.700 3.710 3.566 4.639 . 0 0 "[ . 1 . 2 .]" 1
19 1 14 CYS HA 1 21 PHE HE2 4.000 . 5.000 2.001 1.919 2.164 . 0 0 "[ . 1 . 2 .]" 1
20 1 14 CYS HA 1 21 PHE HZ 3.000 . 3.300 2.238 1.988 2.463 . 0 0 "[ . 1 . 2 .]" 1
21 1 14 CYS HA 1 34 LEU H 4.000 . 5.000 5.057 4.634 5.291 0.291 11 0 "[ . 1 . 2 .]" 1
22 1 14 CYS HA 1 34 LEU HG 4.000 . 5.000 5.104 4.901 5.201 0.201 23 0 "[ . 1 . 2 .]" 1
23 1 14 CYS HA 1 35 TYR HA 4.000 . 5.000 3.723 3.272 4.220 . 0 0 "[ . 1 . 2 .]" 1
24 1 14 CYS HB2 1 36 HIS HA 4.000 . 5.000 4.918 4.286 5.036 0.036 24 0 "[ . 1 . 2 .]" 1
25 1 15 GLU HA 1 15 GLU HG3 4.000 . 5.700 3.163 2.397 3.714 . 0 0 "[ . 1 . 2 .]" 1
26 1 15 GLU HA 1 15 GLU HG2 4.000 . 5.700 3.366 2.381 3.851 . 0 0 "[ . 1 . 2 .]" 1
27 1 15 GLU HA 1 15 GLU QB 2.500 . 3.400 2.325 2.231 2.425 . 0 0 "[ . 1 . 2 .]" 1
28 1 15 GLU H 1 35 TYR HA 4.000 . 5.000 3.040 2.712 3.625 . 0 0 "[ . 1 . 2 .]" 1
29 1 16 ARG HA 1 16 ARG HB2 3.000 . 4.000 2.613 2.254 3.035 . 0 0 "[ . 1 . 2 .]" 1
30 1 16 ARG HA 1 16 ARG HB3 3.000 . 4.000 2.561 2.251 3.019 . 0 0 "[ . 1 . 2 .]" 1
31 1 16 ARG HA 1 16 ARG QD 4.000 . 5.700 3.860 3.150 4.483 . 0 0 "[ . 1 . 2 .]" 1
32 1 16 ARG HA 1 17 CYS H 4.000 . 5.000 3.449 3.068 3.590 . 0 0 "[ . 1 . 2 .]" 1
33 1 16 ARG QD 1 39 CYS HA 4.000 . 5.700 3.797 2.134 5.112 . 0 0 "[ . 1 . 2 .]" 1
34 1 16 ARG HA 1 41 VAL MG2 4.000 . 6.500 3.774 3.428 4.170 . 0 0 "[ . 1 . 2 .]" 1
35 1 17 CYS HA 1 17 CYS HB2 2.500 . 2.700 2.277 2.258 2.305 . 0 0 "[ . 1 . 2 .]" 1
36 1 17 CYS HA 1 17 CYS HB3 3.000 . 3.300 2.719 2.686 2.775 . 0 0 "[ . 1 . 2 .]" 1
37 1 18 LYS HA 1 18 LYS HG3 4.000 . 5.700 3.092 2.143 3.841 . 0 0 "[ . 1 . 2 .]" 1
38 1 18 LYS HA 1 18 LYS HD3 4.000 . 5.000 3.214 1.970 4.505 . 0 0 "[ . 1 . 2 .]" 1
39 1 18 LYS HA 1 18 LYS HG2 4.000 . 5.700 3.188 2.686 4.217 . 0 0 "[ . 1 . 2 .]" 1
40 1 18 LYS HA 1 18 LYS HD2 3.000 . 3.300 2.709 2.026 3.471 0.171 23 0 "[ . 1 . 2 .]" 1
41 1 18 LYS HA 1 18 LYS HB2 3.000 . 3.300 2.927 2.268 3.036 . 0 0 "[ . 1 . 2 .]" 1
42 1 18 LYS HA 1 18 LYS HB3 2.500 . 2.700 2.631 2.395 2.977 0.277 17 0 "[ . 1 . 2 .]" 1
43 1 19 GLY HA2 1 20 GLY HA2 3.000 . 4.700 4.451 4.434 4.463 . 0 0 "[ . 1 . 2 .]" 1
44 1 19 GLY HA2 1 20 GLY HA3 4.000 . 6.400 4.473 4.468 4.477 . 0 0 "[ . 1 . 2 .]" 1
45 1 19 GLY HA3 1 21 PHE HD2 4.000 . 5.700 5.245 5.125 5.385 . 0 0 "[ . 1 . 2 .]" 1
46 1 20 GLY HA3 1 21 PHE H 3.000 . 4.000 3.425 3.272 3.464 . 0 0 "[ . 1 . 2 .]" 1
47 1 21 PHE HA 1 21 PHE HD1 4.000 . 5.000 3.596 3.562 3.621 . 0 0 "[ . 1 . 2 .]" 1
48 1 21 PHE HA 1 22 ALA MB 4.000 . 5.400 3.667 3.652 3.689 . 0 0 "[ . 1 . 2 .]" 1
49 1 21 PHE HD2 1 26 LYS HA 4.000 . 5.000 4.623 4.228 5.126 0.126 14 0 "[ . 1 . 2 .]" 1
50 1 21 PHE HD2 1 35 TYR HA 4.000 . 5.000 5.130 4.983 5.279 0.279 24 0 "[ . 1 . 2 .]" 1
51 1 21 PHE HZ 1 35 TYR HA 4.000 . 5.000 4.980 4.572 5.164 0.164 24 0 "[ . 1 . 2 .]" 1
52 1 21 PHE HE2 1 36 HIS HA 4.000 . 5.000 4.023 3.777 4.306 . 0 0 "[ . 1 . 2 .]" 1
53 1 22 ALA HA 1 23 PRO HD3 3.000 . 4.000 3.887 3.846 3.921 . 0 0 "[ . 1 . 2 .]" 1
54 1 22 ALA HA 1 23 PRO HD2 3.000 . 4.000 3.830 3.804 3.867 . 0 0 "[ . 1 . 2 .]" 1
55 1 23 PRO HD3 1 27 ILE HB 4.000 . 5.700 5.248 4.727 5.736 0.036 5 0 "[ . 1 . 2 .]" 1
56 1 24 ALA H 1 24 ALA HA 3.000 . 3.300 2.838 2.811 2.893 . 0 0 "[ . 1 . 2 .]" 1
57 1 24 ALA HA 1 27 ILE MG 4.000 . 5.400 2.384 2.026 2.989 . 0 0 "[ . 1 . 2 .]" 1
58 1 25 GLU HA 1 25 GLU HB2 3.000 . 4.000 2.783 2.444 3.032 . 0 0 "[ . 1 . 2 .]" 1
59 1 25 GLU HA 1 25 GLU HG3 4.000 . 5.700 3.041 2.484 4.214 . 0 0 "[ . 1 . 2 .]" 1
60 1 25 GLU HA 1 25 GLU HG2 4.000 . 5.700 3.026 2.135 3.841 . 0 0 "[ . 1 . 2 .]" 1
61 1 25 GLU HA 1 26 LYS QB 4.000 . 5.700 5.510 5.354 5.598 . 0 0 "[ . 1 . 2 .]" 1
62 1 25 GLU HB3 1 26 LYS HA 4.000 . 5.700 4.626 4.038 5.803 0.103 4 0 "[ . 1 . 2 .]" 1
63 1 25 GLU H 1 26 LYS HA 4.000 . 5.000 5.158 5.115 5.244 0.244 10 0 "[ . 1 . 2 .]" 1
64 1 25 GLU HA 1 26 LYS HG2 4.000 . 5.700 5.298 4.575 5.731 0.031 5 0 "[ . 1 . 2 .]" 1
65 1 26 LYS HA 1 26 LYS HG2 3.000 . 4.000 2.646 2.168 3.147 . 0 0 "[ . 1 . 2 .]" 1
66 1 26 LYS HA 1 26 LYS QD 4.000 . 5.000 3.136 1.961 4.177 . 0 0 "[ . 1 . 2 .]" 1
67 1 26 LYS HA 1 27 ILE HA 4.000 . 5.000 4.638 4.476 4.721 . 0 0 "[ . 1 . 2 .]" 1
68 1 27 ILE HA 1 27 ILE MD 3.000 . 3.700 2.162 1.962 3.693 . 0 0 "[ . 1 . 2 .]" 1
69 1 27 ILE HA 1 27 ILE MG 3.000 . 3.700 2.913 2.645 3.194 . 0 0 "[ . 1 . 2 .]" 1
70 1 27 ILE HA 1 27 ILE HG13 4.000 . 5.700 3.440 2.297 3.586 . 0 0 "[ . 1 . 2 .]" 1
71 1 27 ILE HA 1 27 ILE HG12 4.000 . 5.700 2.493 2.379 3.062 . 0 0 "[ . 1 . 2 .]" 1
72 1 27 ILE MG 1 34 LEU HA 4.000 . 5.400 5.266 4.622 5.631 0.231 17 0 "[ . 1 . 2 .]" 1
73 1 27 ILE MD 1 34 LEU HA 4.000 . 5.400 4.025 3.303 4.477 . 0 0 "[ . 1 . 2 .]" 1
74 1 27 ILE HA 1 36 HIS HA 4.000 . 5.000 3.954 2.901 4.398 . 0 0 "[ . 1 . 2 .]" 1
75 1 28 VAL HA 1 28 VAL MG1 2.500 . 3.100 2.229 2.156 2.304 . 0 0 "[ . 1 . 2 .]" 1
76 1 28 VAL HA 1 28 VAL MG2 2.500 . 3.100 2.565 2.485 2.602 . 0 0 "[ . 1 . 2 .]" 1
77 1 28 VAL HB 1 34 LEU HA 4.000 . 5.000 5.029 4.611 5.248 0.248 5 0 "[ . 1 . 2 .]" 1
78 1 28 VAL MG2 1 37 GLU HA 4.000 . 5.400 2.736 2.440 3.301 . 0 0 "[ . 1 . 2 .]" 1
79 1 29 ASN HA 1 29 ASN HB2 3.000 . 3.300 2.338 2.298 2.374 . 0 0 "[ . 1 . 2 .]" 1
80 1 29 ASN HB2 1 34 LEU HA 3.000 . 3.300 3.309 2.887 3.466 0.166 4 0 "[ . 1 . 2 .]" 1
81 1 29 ASN HA 1 34 LEU MD1 2.500 . 4.200 2.718 2.224 4.514 0.314 17 0 "[ . 1 . 2 .]" 1
82 1 30 SER HA 1 30 SER HB3 3.000 . 3.300 2.735 2.586 2.999 . 0 0 "[ . 1 . 2 .]" 1
83 1 31 ASN HA 1 31 ASN HB2 3.000 . 4.000 2.697 2.251 3.033 . 0 0 "[ . 1 . 2 .]" 1
84 1 31 ASN HA 1 31 ASN HB3 3.000 . 4.000 2.696 2.323 3.030 . 0 0 "[ . 1 . 2 .]" 1
85 1 31 ASN HA 1 32 GLY HA3 4.000 . 5.700 4.688 4.409 4.850 . 0 0 "[ . 1 . 2 .]" 1
86 1 31 ASN HA 1 57 PHE HA 4.000 . 5.000 5.043 4.724 5.253 0.253 17 0 "[ . 1 . 2 .]" 1
87 1 33 GLU HA 1 33 GLU HB3 3.000 . 3.300 2.755 2.563 2.897 . 0 0 "[ . 1 . 2 .]" 1
88 1 33 GLU HA 1 33 GLU HG3 3.000 . 4.000 2.321 2.052 2.646 . 0 0 "[ . 1 . 2 .]" 1
89 1 33 GLU HA 1 33 GLU HG2 3.000 . 4.000 2.662 2.281 3.160 . 0 0 "[ . 1 . 2 .]" 1
90 1 34 LEU HA 1 34 LEU HG 4.000 . 5.000 3.146 2.337 3.810 . 0 0 "[ . 1 . 2 .]" 1
91 1 34 LEU HA 1 34 LEU MD1 2.500 . 4.200 2.207 1.925 3.691 . 0 0 "[ . 1 . 2 .]" 1
92 1 34 LEU HA 1 34 LEU HB3 3.000 . 3.300 2.580 2.352 2.784 . 0 0 "[ . 1 . 2 .]" 1
93 1 35 TYR HA 1 35 TYR HD1 4.000 . 5.000 3.865 3.685 4.090 . 0 0 "[ . 1 . 2 .]" 1
94 1 35 TYR HA 1 35 TYR HB3 2.500 . 2.700 2.331 2.270 2.401 . 0 0 "[ . 1 . 2 .]" 1
95 1 35 TYR HA 1 39 CYS HB2 3.000 . 3.300 3.390 3.195 3.480 0.180 9 0 "[ . 1 . 2 .]" 1
96 1 35 TYR HB3 1 40 PHE HA 4.000 . 5.000 3.120 2.877 3.476 . 0 0 "[ . 1 . 2 .]" 1
97 1 35 TYR HE2 1 61 LYS HA 4.000 . 5.000 4.628 3.875 5.085 0.085 1 0 "[ . 1 . 2 .]" 1
98 1 36 HIS H 1 36 HIS HA 3.000 . 3.300 2.962 2.920 2.990 . 0 0 "[ . 1 . 2 .]" 1
99 1 36 HIS QB 1 37 GLU HA 4.000 . 5.700 4.229 4.173 4.282 . 0 0 "[ . 1 . 2 .]" 1
100 1 36 HIS H 1 37 GLU HA 4.000 . 5.000 5.310 5.142 5.448 0.448 24 0 "[ . 1 . 2 .]" 1
101 1 37 GLU HA 1 37 GLU HG3 4.000 . 5.700 3.347 2.706 3.819 . 0 0 "[ . 1 . 2 .]" 1
102 1 37 GLU HA 1 37 GLU HG2 4.000 . 5.700 3.620 2.731 4.117 . 0 0 "[ . 1 . 2 .]" 1
103 1 38 GLN HA 1 38 GLN QG 3.000 . 4.000 2.343 2.087 3.335 . 0 0 "[ . 1 . 2 .]" 1
104 1 38 GLN HA 1 38 GLN HB2 2.500 . 3.400 2.786 2.490 3.037 . 0 0 "[ . 1 . 2 .]" 1
105 1 38 GLN HA 1 38 GLN HB3 3.000 . 4.000 2.743 2.376 3.031 . 0 0 "[ . 1 . 2 .]" 1
106 1 38 GLN HA 1 39 CYS HB2 4.000 . 5.000 5.161 5.106 5.242 0.242 4 0 "[ . 1 . 2 .]" 1
107 1 39 CYS HA 1 39 CYS HB3 3.000 . 3.300 2.590 2.524 2.619 . 0 0 "[ . 1 . 2 .]" 1
108 1 39 CYS H 1 39 CYS HA 3.000 . 3.300 2.982 2.963 2.996 . 0 0 "[ . 1 . 2 .]" 1
109 1 39 CYS HA 1 41 VAL MG1 4.000 . 6.500 3.683 3.278 4.148 . 0 0 "[ . 1 . 2 .]" 1
110 1 39 CYS HA 1 41 VAL MG2 4.000 . 6.500 4.252 3.735 4.834 . 0 0 "[ . 1 . 2 .]" 1
111 1 40 PHE HA 1 40 PHE HB3 3.000 . 3.300 2.588 2.451 2.608 . 0 0 "[ . 1 . 2 .]" 1
112 1 40 PHE HA 1 40 PHE HD1 3.000 . 3.300 3.181 2.031 3.469 0.169 1 0 "[ . 1 . 2 .]" 1
113 1 40 PHE HA 1 41 VAL HA 4.000 . 5.000 4.506 4.472 4.594 . 0 0 "[ . 1 . 2 .]" 1
114 1 40 PHE HA 1 41 VAL MG2 4.000 . 6.500 3.498 3.217 3.729 . 0 0 "[ . 1 . 2 .]" 1
115 1 40 PHE HA 1 56 GLU HB2 4.000 . 5.700 5.856 5.649 6.045 0.345 24 0 "[ . 1 . 2 .]" 1
116 1 41 VAL HA 1 41 VAL HB 3.000 . 3.300 2.675 2.495 2.745 . 0 0 "[ . 1 . 2 .]" 1
117 1 41 VAL HA 1 42 CYS HB3 4.000 . 5.000 4.860 4.640 5.002 0.002 20 0 "[ . 1 . 2 .]" 1
118 1 41 VAL HA 1 46 PHE HB3 4.000 . 5.700 5.814 5.723 5.960 0.260 5 0 "[ . 1 . 2 .]" 1
119 1 41 VAL HB 1 46 PHE HA 4.000 . 5.000 2.307 2.071 2.541 . 0 0 "[ . 1 . 2 .]" 1
120 1 41 VAL MG1 1 46 PHE HA 2.500 . 4.200 3.291 3.136 3.647 . 0 0 "[ . 1 . 2 .]" 1
121 1 41 VAL MG2 1 46 PHE HA 4.000 . 6.500 3.760 3.013 4.045 . 0 0 "[ . 1 . 2 .]" 1
122 1 41 VAL MG1 1 48 GLN HA 2.500 . 4.200 2.118 1.874 2.572 . 0 0 "[ . 1 . 2 .]" 1
123 1 41 VAL HA 1 48 GLN HA 3.000 . 3.300 2.049 1.780 2.627 0.020 7 0 "[ . 1 . 2 .]" 1
124 1 41 VAL MG2 1 48 GLN HA 2.500 . 4.200 3.944 3.814 4.080 . 0 0 "[ . 1 . 2 .]" 1
125 1 41 VAL HA 1 49 PHE HB2 4.000 . 5.000 4.602 4.003 5.064 0.064 16 0 "[ . 1 . 2 .]" 1
126 1 41 VAL HA 1 61 LYS HE2 4.000 . 5.700 4.633 4.124 5.101 . 0 0 "[ . 1 . 2 .]" 1
127 1 42 CYS HA 1 42 CYS HB2 3.000 . 3.300 2.519 2.419 2.579 . 0 0 "[ . 1 . 2 .]" 1
128 1 42 CYS HA 1 43 ALA MB 4.000 . 5.400 4.043 4.018 4.080 . 0 0 "[ . 1 . 2 .]" 1
129 1 42 CYS HA 1 61 LYS HE2 3.000 . 4.000 3.779 3.148 4.213 0.213 22 0 "[ . 1 . 2 .]" 1
130 1 42 CYS HA 1 62 TYR HD1 4.000 . 5.000 4.120 3.667 4.439 . 0 0 "[ . 1 . 2 .]" 1
131 1 42 CYS HA 1 62 TYR HA 4.000 . 5.000 2.271 2.017 2.759 . 0 0 "[ . 1 . 2 .]" 1
132 1 42 CYS HA 1 63 CYS H 4.000 . 5.000 2.979 2.299 3.443 . 0 0 "[ . 1 . 2 .]" 1
133 1 43 ALA HA 1 44 GLN HA 4.000 . 5.000 4.586 4.530 4.627 . 0 0 "[ . 1 . 2 .]" 1
134 1 43 ALA HA 1 61 LYS HG3 4.000 . 5.700 3.611 2.715 5.517 . 0 0 "[ . 1 . 2 .]" 1
135 1 43 ALA HA 1 61 LYS H 4.000 . 5.000 4.759 4.046 5.097 0.097 21 0 "[ . 1 . 2 .]" 1
136 1 43 ALA HA 1 61 LYS HD2 4.000 . 5.000 4.828 4.327 5.285 0.285 17 0 "[ . 1 . 2 .]" 1
137 1 43 ALA MB 1 62 TYR HA 4.000 . 5.400 3.942 3.574 4.248 . 0 0 "[ . 1 . 2 .]" 1
138 1 44 GLN HA 1 44 GLN HG3 4.000 . 5.700 3.453 2.637 3.934 . 0 0 "[ . 1 . 2 .]" 1
139 1 44 GLN HA 1 44 GLN HG2 3.000 . 4.000 2.635 2.401 3.433 . 0 0 "[ . 1 . 2 .]" 1
140 1 45 CYS HA 1 45 CYS HB2 3.000 . 4.000 2.389 2.366 2.428 . 0 0 "[ . 1 . 2 .]" 1
141 1 45 CYS HA 1 45 CYS HB3 2.500 . 3.400 2.551 2.508 2.585 . 0 0 "[ . 1 . 2 .]" 1
142 1 46 PHE HA 1 46 PHE HB3 3.000 . 4.000 2.457 2.368 2.867 . 0 0 "[ . 1 . 2 .]" 1
143 1 47 GLN HA 1 47 GLN HG2 3.000 . 4.000 3.360 2.191 4.192 0.192 20 0 "[ . 1 . 2 .]" 1
144 1 47 GLN H 1 47 GLN HA 3.000 . 3.300 2.907 2.847 2.962 . 0 0 "[ . 1 . 2 .]" 1
145 1 47 GLN HA 1 47 GLN HG3 3.000 . 4.000 2.948 2.261 3.653 . 0 0 "[ . 1 . 2 .]" 1
146 1 48 GLN HA 1 48 GLN QG 2.500 . 3.400 3.228 2.784 3.423 0.023 17 0 "[ . 1 . 2 .]" 1
147 1 48 GLN HA 1 48 GLN HB3 3.000 . 3.300 2.339 2.240 2.606 . 0 0 "[ . 1 . 2 .]" 1
148 1 48 GLN HA 1 48 GLN HB2 3.000 . 3.300 2.662 2.315 2.965 . 0 0 "[ . 1 . 2 .]" 1
149 1 48 GLN HA 1 49 PHE HB2 4.000 . 5.000 4.091 3.816 4.487 . 0 0 "[ . 1 . 2 .]" 1
150 1 49 PHE HA 1 49 PHE HB3 3.000 . 3.300 2.816 2.502 3.029 . 0 0 "[ . 1 . 2 .]" 1
151 1 49 PHE HA 1 49 PHE HD1 3.000 . 3.300 2.801 1.782 3.397 0.097 21 0 "[ . 1 . 2 .]" 1
152 1 49 PHE HA 1 50 PRO HD2 2.500 . 3.400 2.117 1.990 2.463 . 0 0 "[ . 1 . 2 .]" 1
153 1 49 PHE HA 1 50 PRO HD3 2.500 . 3.400 2.074 1.950 2.462 . 0 0 "[ . 1 . 2 .]" 1
154 1 49 PHE HD2 1 63 CYS HA 4.000 . 5.000 4.333 3.170 5.061 0.061 10 0 "[ . 1 . 2 .]" 1
155 1 51 GLU HA 1 51 GLU HG3 3.000 . 4.000 2.992 2.180 4.198 0.198 4 0 "[ . 1 . 2 .]" 1
156 1 51 GLU HA 1 51 GLU HB2 2.500 . 3.400 2.760 2.256 3.038 . 0 0 "[ . 1 . 2 .]" 1
157 1 51 GLU HA 1 51 GLU HB3 3.000 . 4.000 2.656 2.351 3.013 . 0 0 "[ . 1 . 2 .]" 1
158 1 52 GLY HA2 1 53 LEU HA 4.000 . 5.700 4.716 4.376 5.394 . 0 0 "[ . 1 . 2 .]" 1
159 1 52 GLY HA3 1 53 LEU HA 4.000 . 5.700 4.880 4.713 5.189 . 0 0 "[ . 1 . 2 .]" 1
160 1 53 LEU HA 1 53 LEU HG 4.000 . 5.000 2.318 2.083 3.630 . 0 0 "[ . 1 . 2 .]" 1
161 1 53 LEU HA 1 53 LEU MD1 3.000 . 4.800 3.518 2.992 3.746 . 0 0 "[ . 1 . 2 .]" 1
162 1 53 LEU HA 1 53 LEU MD2 3.000 . 4.800 2.744 1.880 3.459 . 0 0 "[ . 1 . 2 .]" 1
163 1 53 LEU HA 1 56 GLU H 4.000 . 5.000 4.934 4.471 5.305 0.305 10 0 "[ . 1 . 2 .]" 1
164 1 54 PHE HA 1 54 PHE HB3 3.000 . 4.000 2.415 2.364 2.511 . 0 0 "[ . 1 . 2 .]" 1
165 1 54 PHE HA 1 54 PHE HB2 3.000 . 4.000 2.506 2.411 2.589 . 0 0 "[ . 1 . 2 .]" 1
166 1 54 PHE HE1 1 56 GLU HA 4.000 . 5.000 2.664 2.153 4.122 . 0 0 "[ . 1 . 2 .]" 1
167 1 54 PHE HA 1 63 CYS HA 4.000 . 5.000 4.638 4.310 5.024 0.024 3 0 "[ . 1 . 2 .]" 1
168 1 55 TYR HA 1 55 TYR HB3 2.500 . 2.700 2.806 2.708 2.943 0.243 8 0 "[ . 1 . 2 .]" 1
169 1 55 TYR HA 1 55 TYR HB2 3.000 . 3.300 2.883 2.277 2.965 . 0 0 "[ . 1 . 2 .]" 1
170 1 55 TYR HA 1 55 TYR QD 4.000 . 5.000 2.666 2.433 2.853 . 0 0 "[ . 1 . 2 .]" 1
171 1 55 TYR QD 1 64 GLU HA 3.000 . 3.300 3.019 2.109 3.631 0.331 8 0 "[ . 1 . 2 .]" 1
172 1 56 GLU HA 1 56 GLU HG3 4.000 . 5.700 3.685 2.086 4.266 . 0 0 "[ . 1 . 2 .]" 1
173 1 56 GLU HA 1 56 GLU HB2 3.000 . 4.000 2.472 2.283 2.739 . 0 0 "[ . 1 . 2 .]" 1
174 1 56 GLU HA 1 56 GLU HG2 4.000 . 5.700 3.688 2.190 4.250 . 0 0 "[ . 1 . 2 .]" 1
175 1 56 GLU HA 1 61 LYS HA 3.000 . 3.300 2.002 1.825 2.546 . 0 0 "[ . 1 . 2 .]" 1
176 1 56 GLU HA 1 61 LYS HB3 4.000 . 5.000 3.427 2.427 4.422 . 0 0 "[ . 1 . 2 .]" 1
177 1 56 GLU HA 1 62 TYR HB2 4.000 . 5.000 4.744 4.086 5.163 0.163 10 0 "[ . 1 . 2 .]" 1
178 1 57 PHE HA 1 57 PHE HB3 3.000 . 4.000 2.847 2.731 2.954 . 0 0 "[ . 1 . 2 .]" 1
179 1 57 PHE HA 1 58 GLU HA 4.000 . 5.000 4.367 4.343 4.396 . 0 0 "[ . 1 . 2 .]" 1
180 1 58 GLU HA 1 58 GLU HG3 3.000 . 4.000 3.354 2.289 4.205 0.205 4 0 "[ . 1 . 2 .]" 1
181 1 58 GLU HA 1 58 GLU HG2 3.000 . 4.000 3.376 2.210 4.048 0.048 22 0 "[ . 1 . 2 .]" 1
182 1 58 GLU HA 1 58 GLU HB2 2.500 . 3.400 2.625 2.422 3.033 . 0 0 "[ . 1 . 2 .]" 1
183 1 58 GLU HA 1 58 GLU HB3 2.500 . 3.400 2.599 2.339 3.034 . 0 0 "[ . 1 . 2 .]" 1
184 1 59 GLY HA2 1 60 ARG HG3 4.000 . 6.400 4.951 4.243 6.441 0.041 6 0 "[ . 1 . 2 .]" 1
185 1 60 ARG HA 1 60 ARG HG3 4.000 . 5.700 3.212 2.059 3.851 . 0 0 "[ . 1 . 2 .]" 1
186 1 61 LYS HA 1 61 LYS HE3 4.000 . 5.700 5.517 4.342 6.038 0.338 1 0 "[ . 1 . 2 .]" 1
187 1 61 LYS HA 1 61 LYS HE2 4.000 . 5.700 5.495 4.814 5.898 0.198 21 0 "[ . 1 . 2 .]" 1
188 1 61 LYS HA 1 61 LYS HG3 4.000 . 5.700 3.859 3.352 4.216 . 0 0 "[ . 1 . 2 .]" 1
189 1 61 LYS HA 1 61 LYS HG2 3.000 . 4.000 3.566 3.358 3.705 . 0 0 "[ . 1 . 2 .]" 1
190 1 61 LYS HA 1 62 TYR QE 4.000 . 5.000 4.780 4.376 4.958 . 0 0 "[ . 1 . 2 .]" 1
191 1 61 LYS HA 1 62 TYR HB2 4.000 . 5.000 4.611 4.388 4.831 . 0 0 "[ . 1 . 2 .]" 1
192 1 62 TYR HA 1 62 TYR HB3 3.000 . 3.300 2.460 2.391 2.532 . 0 0 "[ . 1 . 2 .]" 1
193 1 62 TYR HA 1 62 TYR HB2 3.000 . 3.300 3.029 3.010 3.037 . 0 0 "[ . 1 . 2 .]" 1
194 1 62 TYR HA 1 62 TYR HD1 4.000 . 5.000 2.647 2.470 2.793 . 0 0 "[ . 1 . 2 .]" 1
195 1 63 CYS HA 1 63 CYS HB3 2.500 . 2.700 2.420 2.375 2.469 . 0 0 "[ . 1 . 2 .]" 1
196 1 63 CYS HA 1 63 CYS HB2 2.500 . 2.700 2.531 2.456 2.599 . 0 0 "[ . 1 . 2 .]" 1
197 1 63 CYS HA 1 64 GLU H 2.500 . 2.700 2.606 2.347 2.710 0.010 6 0 "[ . 1 . 2 .]" 1
198 1 63 CYS HA 1 64 GLU HA 4.000 . 5.000 4.358 4.329 4.379 . 0 0 "[ . 1 . 2 .]" 1
199 1 64 GLU H 1 64 GLU HA 3.000 . 3.300 2.856 2.786 2.898 . 0 0 "[ . 1 . 2 .]" 1
200 1 64 GLU HA 1 64 GLU HB2 2.500 . 3.400 2.570 2.483 2.752 . 0 0 "[ . 1 . 2 .]" 1
201 1 64 GLU HA 1 64 GLU HG2 3.000 . 4.000 3.507 3.194 3.672 . 0 0 "[ . 1 . 2 .]" 1
202 1 64 GLU HA 1 64 GLU HG3 2.500 . 3.400 2.659 2.007 3.225 . 0 0 "[ . 1 . 2 .]" 1
203 1 64 GLU HB3 1 65 HIS HA 4.000 . 5.700 4.309 4.118 4.407 . 0 0 "[ . 1 . 2 .]" 1
204 1 64 GLU HA 1 67 PHE HB3 3.000 . 3.300 3.199 2.679 3.467 0.167 23 0 "[ . 1 . 2 .]" 1
205 1 65 HIS HA 1 65 HIS HB3 3.000 . 4.000 2.940 2.910 2.958 . 0 0 "[ . 1 . 2 .]" 1
206 1 65 HIS HA 1 65 HIS HB2 2.500 . 3.400 2.276 2.263 2.285 . 0 0 "[ . 1 . 2 .]" 1
207 1 65 HIS HA 1 68 GLN H 3.000 . 3.300 3.607 3.535 3.702 0.402 21 0 "[ . 1 . 2 .]" 1
208 1 65 HIS HA 1 68 GLN HB3 4.000 . 5.700 4.005 3.589 4.147 . 0 0 "[ . 1 . 2 .]" 1
209 1 65 HIS HA 1 68 GLN HB2 4.000 . 5.700 5.028 4.810 5.254 . 0 0 "[ . 1 . 2 .]" 1
210 1 65 HIS HA 1 69 MET H 4.000 . 5.000 4.438 4.220 4.641 . 0 0 "[ . 1 . 2 .]" 1
211 1 66 ASP HA 1 66 ASP HB2 3.000 . 3.300 2.847 2.713 3.007 . 0 0 "[ . 1 . 2 .]" 1
212 1 66 ASP HA 1 66 ASP HB3 2.500 . 2.700 2.839 2.350 2.950 0.250 25 0 "[ . 1 . 2 .]" 1
213 1 66 ASP HA 1 69 MET QB 2.500 . 3.400 2.548 2.072 3.111 . 0 0 "[ . 1 . 2 .]" 1
214 1 66 ASP HA 1 69 MET H 4.000 . 5.000 3.569 3.392 3.721 . 0 0 "[ . 1 . 2 .]" 1
215 1 66 ASP HA 1 70 LEU H 4.000 . 5.000 4.634 4.505 4.787 . 0 0 "[ . 1 . 2 .]" 1
216 1 67 PHE HA 1 67 PHE QD 3.000 . 3.300 2.728 1.890 2.928 . 0 0 "[ . 1 . 2 .]" 1
217 1 67 PHE HA 1 67 PHE HB2 3.000 . 3.300 2.832 2.742 2.941 . 0 0 "[ . 1 . 2 .]" 1
218 1 67 PHE HA 1 69 MET QB 4.000 . 5.700 4.509 4.397 4.582 . 0 0 "[ . 1 . 2 .]" 1
219 1 67 PHE HA 1 70 LEU HG 4.000 . 5.000 2.377 2.055 3.228 . 0 0 "[ . 1 . 2 .]" 1
220 1 67 PHE HA 1 70 LEU H 4.000 . 5.000 3.292 3.109 3.541 . 0 0 "[ . 1 . 2 .]" 1
221 1 68 GLN HA 1 68 GLN HB2 3.000 . 4.000 2.372 2.344 2.400 . 0 0 "[ . 1 . 2 .]" 1
222 1 68 GLN HA 1 68 GLN HG2 4.000 . 5.700 3.972 3.750 4.248 . 0 0 "[ . 1 . 2 .]" 1
223 1 68 GLN HA 1 68 GLN HG3 4.000 . 5.700 3.608 3.529 3.672 . 0 0 "[ . 1 . 2 .]" 1
224 1 68 GLN HA 1 68 GLN HB3 3.000 . 4.000 2.578 2.539 2.615 . 0 0 "[ . 1 . 2 .]" 1
225 1 68 GLN HA 1 70 LEU HG 4.000 . 5.000 5.214 5.149 5.422 0.422 24 0 "[ . 1 . 2 .]" 1
226 1 68 GLN HA 1 72 ALA MB 4.000 . 5.400 4.308 2.024 5.622 0.222 24 0 "[ . 1 . 2 .]" 1
227 1 70 LEU HA 1 70 LEU MD1 4.000 . 6.500 3.880 3.862 3.953 . 0 0 "[ . 1 . 2 .]" 1
228 1 70 LEU HA 1 70 LEU HB3 2.500 . 2.700 2.347 2.337 2.351 . 0 0 "[ . 1 . 2 .]" 1
229 1 70 LEU HA 1 70 LEU MD2 2.500 . 4.200 2.285 2.246 2.332 . 0 0 "[ . 1 . 2 .]" 1
230 1 70 LEU HA 1 70 LEU HG 4.000 . 5.000 3.419 3.306 3.440 . 0 0 "[ . 1 . 2 .]" 1
231 1 71 PHE HA 1 71 PHE HD1 3.000 . 3.300 2.942 2.340 4.206 0.906 22 1 "[ . 1 . 2 + .]" 1
232 1 71 PHE HA 1 71 PHE HB3 3.000 . 3.300 2.890 2.382 3.024 . 0 0 "[ . 1 . 2 .]" 1
233 1 72 ALA MB 1 73 PRO HD2 4.000 . 6.100 3.550 2.572 3.914 . 0 0 "[ . 1 . 2 .]" 1
234 1 72 ALA HA 1 73 PRO HD3 2.500 . 3.400 2.630 2.031 3.855 0.455 18 0 "[ . 1 . 2 .]" 1
235 1 72 ALA HA 1 73 PRO HD2 2.500 . 3.400 2.257 2.008 3.712 0.312 15 0 "[ . 1 . 2 .]" 1
236 1 72 ALA HA 1 73 PRO HB2 4.000 . 5.700 5.388 5.249 6.104 0.404 15 0 "[ . 1 . 2 .]" 1
237 1 72 ALA MB 1 74 CYS HA 4.000 . 5.400 5.062 3.564 5.928 0.528 18 1 "[ . 1 . + 2 .]" 1
238 1 11 SER H 1 11 SER HB3 4.000 . 5.700 3.489 2.539 4.022 . 0 0 "[ . 1 . 2 .]" 1
239 1 11 SER HA 1 12 ALA H 3.000 . 3.300 2.685 2.187 3.562 0.262 22 0 "[ . 1 . 2 .]" 1
240 1 12 ALA H 1 12 ALA MB 3.000 . 3.700 2.540 2.229 2.957 . 0 0 "[ . 1 . 2 .]" 1
241 1 12 ALA H 1 12 ALA HA 3.000 . 3.300 2.825 2.337 2.962 . 0 0 "[ . 1 . 2 .]" 1
242 1 12 ALA MB 1 13 THR H 3.000 . 3.700 2.762 1.999 3.531 . 0 0 "[ . 1 . 2 .]" 1
243 1 12 ALA HA 1 13 THR H 2.500 . 2.700 2.359 2.180 2.723 0.023 14 0 "[ . 1 . 2 .]" 1
244 1 13 THR H 1 13 THR HB 4.000 . 5.000 3.809 3.746 3.856 . 0 0 "[ . 1 . 2 .]" 1
245 1 13 THR H 1 13 THR MG 4.000 . 5.400 2.766 2.546 3.034 . 0 0 "[ . 1 . 2 .]" 1
246 1 13 THR H 1 13 THR HA 3.000 . 3.300 2.994 2.990 2.996 . 0 0 "[ . 1 . 2 .]" 1
247 1 13 THR HB 1 14 CYS H 3.000 . 3.300 2.595 2.434 2.698 . 0 0 "[ . 1 . 2 .]" 1
248 1 13 THR HA 1 14 CYS H 2.500 . 2.700 2.388 2.344 2.474 . 0 0 "[ . 1 . 2 .]" 1
249 1 13 THR HA 1 21 PHE H 4.000 . 5.000 2.635 2.511 2.780 . 0 0 "[ . 1 . 2 .]" 1
250 1 14 CYS H 1 14 CYS HB2 3.000 . 3.300 2.453 2.350 2.949 . 0 0 "[ . 1 . 2 .]" 1
251 1 14 CYS H 1 14 CYS HB3 2.500 . 2.700 2.635 2.222 2.729 0.029 1 0 "[ . 1 . 2 .]" 1
252 1 14 CYS H 1 14 CYS HA 3.000 . 3.300 2.859 2.847 2.885 . 0 0 "[ . 1 . 2 .]" 1
253 1 14 CYS HB3 1 15 GLU H 4.000 . 5.000 3.608 3.346 3.977 . 0 0 "[ . 1 . 2 .]" 1
254 1 14 CYS HA 1 15 GLU H 2.500 . 2.700 2.342 2.170 2.421 . 0 0 "[ . 1 . 2 .]" 1
255 1 14 CYS HB3 1 17 CYS H 4.000 . 5.000 2.670 2.341 3.543 . 0 0 "[ . 1 . 2 .]" 1
256 1 14 CYS HB2 1 18 LYS H 4.000 . 5.000 3.698 3.611 4.108 . 0 0 "[ . 1 . 2 .]" 1
257 1 14 CYS HB2 1 19 GLY H 3.000 . 3.300 2.431 2.277 3.330 0.030 22 0 "[ . 1 . 2 .]" 1
258 1 14 CYS H 1 19 GLY H 2.500 . 2.700 2.054 1.826 2.373 . 0 0 "[ . 1 . 2 .]" 1
259 1 14 CYS H 1 19 GLY HA2 3.000 . 4.000 4.010 3.934 4.089 0.089 22 0 "[ . 1 . 2 .]" 1
260 1 14 CYS H 1 20 GLY HA2 3.000 . 4.000 4.090 4.033 4.150 0.150 17 0 "[ . 1 . 2 .]" 1
261 1 14 CYS H 1 21 PHE H 4.000 . 5.000 4.051 3.914 4.497 . 0 0 "[ . 1 . 2 .]" 1
262 1 14 CYS H 1 21 PHE HD1 4.000 . 5.000 4.917 4.835 5.045 0.045 3 0 "[ . 1 . 2 .]" 1
263 1 14 CYS HB3 1 36 HIS H 4.000 . 5.000 5.135 5.052 5.214 0.214 17 0 "[ . 1 . 2 .]" 1
264 1 15 GLU H 1 15 GLU QB 3.000 . 4.000 2.217 2.112 2.276 . 0 0 "[ . 1 . 2 .]" 1
265 1 15 GLU H 1 15 GLU HG3 4.000 . 5.700 4.474 4.255 4.721 . 0 0 "[ . 1 . 2 .]" 1
266 1 15 GLU H 1 15 GLU HA 3.000 . 3.300 2.918 2.875 2.946 . 0 0 "[ . 1 . 2 .]" 1
267 1 15 GLU HA 1 16 ARG H 4.000 . 5.000 3.528 3.114 3.590 . 0 0 "[ . 1 . 2 .]" 1
268 1 15 GLU QB 1 16 ARG H 4.000 . 5.700 2.529 1.943 3.634 . 0 0 "[ . 1 . 2 .]" 1
269 1 15 GLU H 1 16 ARG H 4.000 . 5.000 2.629 2.313 2.870 . 0 0 "[ . 1 . 2 .]" 1
270 1 15 GLU HA 1 17 CYS H 4.000 . 5.000 4.615 3.783 5.102 0.102 17 0 "[ . 1 . 2 .]" 1
271 1 15 GLU H 1 21 PHE HZ 4.000 . 5.000 4.003 3.409 4.361 . 0 0 "[ . 1 . 2 .]" 1
272 1 15 GLU H 1 33 GLU HG2 4.000 . 5.700 5.694 5.362 5.840 0.140 4 0 "[ . 1 . 2 .]" 1
273 1 15 GLU QB 1 34 LEU H 3.000 . 4.000 2.526 1.903 3.167 . 0 0 "[ . 1 . 2 .]" 1
274 1 15 GLU H 1 34 LEU H 4.000 . 5.000 4.064 3.662 4.389 . 0 0 "[ . 1 . 2 .]" 1
275 1 15 GLU QB 1 36 HIS H 4.000 . 5.700 5.609 5.394 5.890 0.190 11 0 "[ . 1 . 2 .]" 1
276 1 16 ARG H 1 16 ARG QG 4.000 . 5.700 2.690 1.654 3.999 0.146 13 0 "[ . 1 . 2 .]" 1
277 1 16 ARG H 1 16 ARG HB3 4.000 . 5.700 2.976 2.185 3.761 . 0 0 "[ . 1 . 2 .]" 1
278 1 16 ARG HB2 1 17 CYS H 4.000 . 5.700 3.758 2.725 4.476 . 0 0 "[ . 1 . 2 .]" 1
279 1 16 ARG QD 1 17 CYS H 4.000 . 5.700 4.065 2.892 5.352 . 0 0 "[ . 1 . 2 .]" 1
280 1 16 ARG H 1 17 CYS H 3.000 . 3.300 2.465 1.962 2.944 . 0 0 "[ . 1 . 2 .]" 1
281 1 16 ARG H 1 35 TYR HA 4.000 . 5.000 4.111 3.682 4.968 . 0 0 "[ . 1 . 2 .]" 1
282 1 17 CYS H 1 17 CYS HB3 3.000 . 3.300 2.595 2.287 3.063 . 0 0 "[ . 1 . 2 .]" 1
283 1 17 CYS H 1 17 CYS HA 3.000 . 3.300 2.967 2.915 2.996 . 0 0 "[ . 1 . 2 .]" 1
284 1 17 CYS HA 1 18 LYS H 4.000 . 5.000 3.458 3.392 3.501 . 0 0 "[ . 1 . 2 .]" 1
285 1 17 CYS HB2 1 18 LYS H 4.000 . 5.000 4.368 4.296 4.431 . 0 0 "[ . 1 . 2 .]" 1
286 1 17 CYS H 1 18 LYS H 2.500 . 2.700 2.057 1.681 2.414 0.119 7 0 "[ . 1 . 2 .]" 1
287 1 17 CYS HB2 1 19 GLY H 4.000 . 5.000 4.474 4.096 4.781 . 0 0 "[ . 1 . 2 .]" 1
288 1 17 CYS HB3 1 19 GLY H 4.000 . 5.000 4.364 4.079 4.575 . 0 0 "[ . 1 . 2 .]" 1
289 1 17 CYS H 1 19 GLY H 4.000 . 5.000 4.063 3.787 4.300 . 0 0 "[ . 1 . 2 .]" 1
290 1 18 LYS H 1 18 LYS HD2 4.000 . 5.000 3.782 2.149 5.297 0.297 23 0 "[ . 1 . 2 .]" 1
291 1 18 LYS H 1 18 LYS HB3 4.000 . 5.000 4.009 2.958 4.116 . 0 0 "[ . 1 . 2 .]" 1
292 1 18 LYS H 1 18 LYS HG3 4.000 . 5.700 4.140 3.358 4.595 . 0 0 "[ . 1 . 2 .]" 1
293 1 18 LYS H 1 18 LYS HA 2.500 . 2.700 2.344 2.331 2.353 . 0 0 "[ . 1 . 2 .]" 1
294 1 18 LYS H 1 19 GLY H 2.500 . 2.700 2.768 2.712 2.805 0.105 4 0 "[ . 1 . 2 .]" 1
295 1 18 LYS HA 1 19 GLY H 4.000 . 5.000 2.817 2.730 2.966 . 0 0 "[ . 1 . 2 .]" 1
296 1 19 GLY H 1 19 GLY HA2 3.000 . 4.000 2.964 2.918 2.990 . 0 0 "[ . 1 . 2 .]" 1
297 1 19 GLY H 1 19 GLY HA3 2.500 . 3.400 2.408 2.364 2.459 . 0 0 "[ . 1 . 2 .]" 1
298 1 19 GLY H 1 20 GLY H 4.000 . 5.000 4.455 4.400 4.514 . 0 0 "[ . 1 . 2 .]" 1
299 1 19 GLY HA3 1 20 GLY H 2.500 . 3.400 3.273 3.236 3.292 . 0 0 "[ . 1 . 2 .]" 1
300 1 19 GLY HA2 1 20 GLY H 2.500 . 3.400 2.191 2.188 2.194 . 0 0 "[ . 1 . 2 .]" 1
301 1 19 GLY H 1 21 PHE HD2 4.000 . 5.000 5.178 5.141 5.250 0.250 23 0 "[ . 1 . 2 .]" 1
302 1 20 GLY H 1 20 GLY HA2 3.000 . 4.000 2.832 2.809 2.852 . 0 0 "[ . 1 . 2 .]" 1
303 1 20 GLY H 1 20 GLY HA3 2.500 . 3.400 2.347 2.342 2.350 . 0 0 "[ . 1 . 2 .]" 1
304 1 20 GLY HA2 1 21 PHE H 3.000 . 4.000 2.225 2.182 2.254 . 0 0 "[ . 1 . 2 .]" 1
305 1 21 PHE H 1 21 PHE HB3 4.000 . 5.000 3.296 3.244 3.477 . 0 0 "[ . 1 . 2 .]" 1
306 1 21 PHE H 1 21 PHE HB2 4.000 . 5.000 3.686 3.648 3.816 . 0 0 "[ . 1 . 2 .]" 1
307 1 21 PHE H 1 21 PHE HD1 3.000 . 3.300 1.802 1.749 1.905 0.051 3 0 "[ . 1 . 2 .]" 1
308 1 21 PHE H 1 22 ALA HA 4.000 . 5.000 5.043 4.919 5.110 0.110 22 0 "[ . 1 . 2 .]" 1
309 1 21 PHE HD1 1 22 ALA H 4.000 . 5.000 3.780 3.713 3.831 . 0 0 "[ . 1 . 2 .]" 1
310 1 21 PHE HB3 1 22 ALA H 4.000 . 5.000 3.357 3.313 3.439 . 0 0 "[ . 1 . 2 .]" 1
311 1 21 PHE HB2 1 22 ALA H 3.000 . 3.300 1.926 1.867 2.011 . 0 0 "[ . 1 . 2 .]" 1
312 1 21 PHE HA 1 22 ALA H 2.500 . 2.700 2.716 2.683 2.747 0.047 10 0 "[ . 1 . 2 .]" 1
313 1 21 PHE HE2 1 36 HIS H 4.000 . 5.000 4.058 3.698 4.474 . 0 0 "[ . 1 . 2 .]" 1
314 1 21 PHE HD2 1 36 HIS H 4.000 . 5.000 4.682 4.296 5.041 0.041 22 0 "[ . 1 . 2 .]" 1
315 1 22 ALA H 1 22 ALA HA 3.000 . 3.300 2.858 2.839 2.874 . 0 0 "[ . 1 . 2 .]" 1
316 1 22 ALA H 1 22 ALA MB 3.000 . 3.700 2.872 2.845 2.907 . 0 0 "[ . 1 . 2 .]" 1
317 1 22 ALA H 1 23 PRO HG2 4.000 . 5.700 3.772 3.728 3.871 . 0 0 "[ . 1 . 2 .]" 1
318 1 22 ALA H 1 23 PRO HB3 4.000 . 5.700 5.367 5.337 5.407 . 0 0 "[ . 1 . 2 .]" 1
319 1 23 PRO HA 1 24 ALA H 4.000 . 5.000 2.389 2.220 3.533 . 0 0 "[ . 1 . 2 .]" 1
320 1 23 PRO HG3 1 24 ALA H 4.000 . 5.700 5.306 4.208 5.519 . 0 0 "[ . 1 . 2 .]" 1
321 1 23 PRO HB3 1 24 ALA H 3.000 . 4.000 3.461 3.230 3.663 . 0 0 "[ . 1 . 2 .]" 1
322 1 23 PRO HD2 1 25 GLU H 4.000 . 5.700 5.448 5.256 5.757 0.057 4 0 "[ . 1 . 2 .]" 1
323 1 23 PRO HB3 1 25 GLU H 4.000 . 5.700 3.733 3.566 4.685 . 0 0 "[ . 1 . 2 .]" 1
324 1 23 PRO HB2 1 26 LYS H 4.000 . 5.700 2.680 2.391 3.642 . 0 0 "[ . 1 . 2 .]" 1
325 1 24 ALA H 1 24 ALA MB 3.000 . 3.700 2.295 2.246 2.820 . 0 0 "[ . 1 . 2 .]" 1
326 1 24 ALA MB 1 25 GLU H 3.000 . 3.700 2.906 2.418 3.067 . 0 0 "[ . 1 . 2 .]" 1
327 1 24 ALA H 1 25 GLU H 3.000 . 3.300 2.690 2.092 2.818 . 0 0 "[ . 1 . 2 .]" 1
328 1 24 ALA HA 1 25 GLU H 4.000 . 5.000 3.466 3.407 3.582 . 0 0 "[ . 1 . 2 .]" 1
329 1 25 GLU H 1 25 GLU HG2 4.000 . 5.700 3.840 2.102 4.707 . 0 0 "[ . 1 . 2 .]" 1
330 1 25 GLU H 1 25 GLU HB3 4.000 . 5.700 3.137 2.428 3.654 . 0 0 "[ . 1 . 2 .]" 1
331 1 25 GLU H 1 25 GLU HB2 4.000 . 5.700 2.634 2.098 3.631 . 0 0 "[ . 1 . 2 .]" 1
332 1 25 GLU H 1 25 GLU HG3 4.000 . 5.700 3.624 2.338 4.714 . 0 0 "[ . 1 . 2 .]" 1
333 1 25 GLU H 1 25 GLU HA 3.000 . 3.300 2.914 2.856 2.939 . 0 0 "[ . 1 . 2 .]" 1
334 1 25 GLU HG2 1 26 LYS H 4.000 . 5.700 4.618 1.885 5.158 . 0 0 "[ . 1 . 2 .]" 1
335 1 25 GLU HB3 1 26 LYS H 4.000 . 5.700 3.375 2.503 4.163 . 0 0 "[ . 1 . 2 .]" 1
336 1 25 GLU H 1 26 LYS H 4.000 . 5.000 2.439 2.368 2.532 . 0 0 "[ . 1 . 2 .]" 1
337 1 25 GLU HB2 1 26 LYS H 4.000 . 5.700 3.271 2.452 4.039 . 0 0 "[ . 1 . 2 .]" 1
338 1 25 GLU HA 1 26 LYS H 4.000 . 5.000 3.517 3.428 3.564 . 0 0 "[ . 1 . 2 .]" 1
339 1 26 LYS H 1 26 LYS QD 4.000 . 5.000 4.048 3.326 4.724 . 0 0 "[ . 1 . 2 .]" 1
340 1 26 LYS H 1 26 LYS QB 2.500 . 3.400 2.486 2.331 2.624 . 0 0 "[ . 1 . 2 .]" 1
341 1 26 LYS H 1 26 LYS HA 3.000 . 3.300 2.962 2.931 2.993 . 0 0 "[ . 1 . 2 .]" 1
342 1 26 LYS HG2 1 27 ILE H 4.000 . 5.700 4.631 3.978 5.092 . 0 0 "[ . 1 . 2 .]" 1
343 1 26 LYS QB 1 27 ILE H 4.000 . 5.700 2.781 2.377 3.653 . 0 0 "[ . 1 . 2 .]" 1
344 1 26 LYS H 1 27 ILE HA 4.000 . 5.000 4.946 4.739 5.099 0.099 16 0 "[ . 1 . 2 .]" 1
345 1 26 LYS HA 1 27 ILE H 4.000 . 5.000 3.490 3.102 3.592 . 0 0 "[ . 1 . 2 .]" 1
346 1 26 LYS H 1 37 GLU HG2 4.000 . 5.700 5.352 4.490 5.757 0.057 6 0 "[ . 1 . 2 .]" 1
347 1 27 ILE H 1 27 ILE HG13 4.000 . 5.700 4.458 4.150 4.767 . 0 0 "[ . 1 . 2 .]" 1
348 1 27 ILE H 1 27 ILE HG12 3.000 . 4.000 3.781 3.192 4.485 0.485 17 0 "[ . 1 . 2 .]" 1
349 1 27 ILE H 1 27 ILE HB 2.500 . 2.700 2.283 2.113 2.703 0.003 17 0 "[ . 1 . 2 .]" 1
350 1 27 ILE H 1 27 ILE MG 4.000 . 5.400 3.162 1.977 3.588 . 0 0 "[ . 1 . 2 .]" 1
351 1 27 ILE H 1 27 ILE HA 3.000 . 3.300 2.955 2.918 2.988 . 0 0 "[ . 1 . 2 .]" 1
352 1 27 ILE H 1 28 VAL H 4.000 . 5.000 4.452 4.179 4.573 . 0 0 "[ . 1 . 2 .]" 1
353 1 27 ILE MD 1 28 VAL H 4.000 . 5.400 2.733 2.041 3.993 . 0 0 "[ . 1 . 2 .]" 1
354 1 27 ILE HB 1 28 VAL H 4.000 . 5.000 4.498 4.091 4.593 . 0 0 "[ . 1 . 2 .]" 1
355 1 27 ILE HA 1 28 VAL H 2.500 . 2.700 2.179 2.150 2.234 . 0 0 "[ . 1 . 2 .]" 1
356 1 27 ILE MG 1 29 ASN H 4.000 . 5.400 3.438 2.433 4.552 . 0 0 "[ . 1 . 2 .]" 1
357 1 28 VAL H 1 28 VAL HB 3.000 . 3.300 2.979 2.834 3.079 . 0 0 "[ . 1 . 2 .]" 1
358 1 28 VAL H 1 28 VAL HA 3.000 . 3.300 2.980 2.966 2.996 . 0 0 "[ . 1 . 2 .]" 1
359 1 28 VAL H 1 29 ASN H 4.000 . 5.000 3.871 3.325 4.375 . 0 0 "[ . 1 . 2 .]" 1
360 1 28 VAL MG2 1 29 ASN H 4.000 . 5.400 4.363 4.207 4.413 . 0 0 "[ . 1 . 2 .]" 1
361 1 28 VAL MG1 1 29 ASN H 4.000 . 5.400 3.242 2.365 3.898 . 0 0 "[ . 1 . 2 .]" 1
362 1 28 VAL HA 1 29 ASN H 2.500 . 2.700 2.303 2.190 2.540 . 0 0 "[ . 1 . 2 .]" 1
363 1 28 VAL MG1 1 35 TYR H 4.000 . 5.400 4.354 4.171 4.475 . 0 0 "[ . 1 . 2 .]" 1
364 1 28 VAL HB 1 35 TYR H 3.000 . 3.300 3.152 2.839 3.301 0.001 8 0 "[ . 1 . 2 .]" 1
365 1 28 VAL H 1 35 TYR HB2 4.000 . 5.000 4.770 4.348 5.110 0.110 18 0 "[ . 1 . 2 .]" 1
366 1 28 VAL H 1 35 TYR H 3.000 . 3.300 2.953 2.542 3.172 . 0 0 "[ . 1 . 2 .]" 1
367 1 29 ASN H 1 29 ASN HB2 3.000 . 3.300 3.132 2.902 3.388 0.088 3 0 "[ . 1 . 2 .]" 1
368 1 29 ASN H 1 30 SER HB3 4.000 . 5.000 5.028 4.629 5.301 0.301 23 0 "[ . 1 . 2 .]" 1
369 1 29 ASN H 1 30 SER H 4.000 . 5.000 4.543 4.262 4.646 . 0 0 "[ . 1 . 2 .]" 1
370 1 29 ASN HA 1 30 SER H 2.500 . 2.700 2.236 2.094 2.305 . 0 0 "[ . 1 . 2 .]" 1
371 1 29 ASN HD22 1 32 GLY H 4.000 . 5.000 3.587 1.838 5.065 0.065 25 0 "[ . 1 . 2 .]" 1
372 1 29 ASN HA 1 35 TYR H 3.000 . 3.300 3.134 2.914 3.382 0.082 3 0 "[ . 1 . 2 .]" 1
373 1 30 SER H 1 30 SER HB2 4.000 . 5.000 3.955 3.736 4.034 . 0 0 "[ . 1 . 2 .]" 1
374 1 30 SER H 1 30 SER HB3 3.000 . 3.300 3.051 2.838 3.275 . 0 0 "[ . 1 . 2 .]" 1
375 1 30 SER HA 1 31 ASN H 3.000 . 3.300 2.296 2.168 3.368 0.068 3 0 "[ . 1 . 2 .]" 1
376 1 30 SER HA 1 32 GLY H 4.000 . 5.000 4.115 3.244 5.197 0.197 19 0 "[ . 1 . 2 .]" 1
377 1 30 SER H 1 32 GLY H 4.000 . 5.000 3.409 2.839 4.551 . 0 0 "[ . 1 . 2 .]" 1
378 1 30 SER H 1 33 GLU H 4.000 . 5.000 3.226 2.549 3.635 . 0 0 "[ . 1 . 2 .]" 1
379 1 30 SER H 1 34 LEU MD1 4.000 . 6.500 3.930 3.460 5.883 . 0 0 "[ . 1 . 2 .]" 1
380 1 30 SER H 1 34 LEU HA 4.000 . 5.000 3.682 3.426 3.896 . 0 0 "[ . 1 . 2 .]" 1
381 1 30 SER H 1 35 TYR H 4.000 . 5.000 4.685 4.403 5.007 0.007 20 0 "[ . 1 . 2 .]" 1
382 1 31 ASN H 1 31 ASN HA 3.000 . 3.300 2.372 2.327 2.741 . 0 0 "[ . 1 . 2 .]" 1
383 1 31 ASN H 1 32 GLY H 4.000 . 5.000 3.489 2.741 4.255 . 0 0 "[ . 1 . 2 .]" 1
384 1 31 ASN HA 1 32 GLY H 3.000 . 3.300 3.398 2.255 3.573 0.273 7 0 "[ . 1 . 2 .]" 1
385 1 31 ASN HB2 1 57 PHE H 4.000 . 5.700 4.180 2.522 5.145 . 0 0 "[ . 1 . 2 .]" 1
386 1 32 GLY H 1 32 GLY HA2 3.000 . 4.000 2.724 2.346 2.938 . 0 0 "[ . 1 . 2 .]" 1
387 1 32 GLY H 1 32 GLY HA3 2.500 . 3.400 2.883 2.723 2.997 . 0 0 "[ . 1 . 2 .]" 1
388 1 32 GLY HA2 1 33 GLU H 3.000 . 4.000 3.283 2.791 3.566 . 0 0 "[ . 1 . 2 .]" 1
389 1 32 GLY H 1 33 GLU H 3.000 . 3.300 2.112 1.760 3.275 0.040 13 0 "[ . 1 . 2 .]" 1
390 1 32 GLY HA3 1 33 GLU H 3.000 . 4.000 3.204 2.473 3.564 . 0 0 "[ . 1 . 2 .]" 1
391 1 33 GLU H 1 33 GLU HG3 3.000 . 4.000 3.711 3.118 4.349 0.349 19 0 "[ . 1 . 2 .]" 1
392 1 33 GLU H 1 33 GLU HB2 3.000 . 3.300 2.410 2.117 2.933 . 0 0 "[ . 1 . 2 .]" 1
393 1 33 GLU H 1 33 GLU HG2 4.000 . 5.700 4.590 4.288 5.011 . 0 0 "[ . 1 . 2 .]" 1
394 1 33 GLU H 1 33 GLU HA 3.000 . 3.300 2.954 2.918 2.996 . 0 0 "[ . 1 . 2 .]" 1
395 1 33 GLU HB3 1 34 LEU H 3.000 . 3.300 2.449 1.721 2.754 0.079 19 0 "[ . 1 . 2 .]" 1
396 1 33 GLU HG2 1 34 LEU H 4.000 . 5.700 3.095 2.270 3.863 . 0 0 "[ . 1 . 2 .]" 1
397 1 33 GLU HA 1 34 LEU H 2.500 . 2.700 2.520 2.342 2.939 0.239 19 0 "[ . 1 . 2 .]" 1
398 1 33 GLU H 1 35 TYR HE1 4.000 . 5.000 3.329 2.539 4.175 . 0 0 "[ . 1 . 2 .]" 1
399 1 33 GLU H 1 58 GLU HA 4.000 . 5.000 4.500 2.264 5.178 0.178 5 0 "[ . 1 . 2 .]" 1
400 1 34 LEU H 1 34 LEU HB2 3.000 . 3.300 2.507 2.368 2.846 . 0 0 "[ . 1 . 2 .]" 1
401 1 34 LEU H 1 34 LEU HB3 4.000 . 5.000 3.636 3.434 3.812 . 0 0 "[ . 1 . 2 .]" 1
402 1 34 LEU H 1 34 LEU MD2 3.000 . 4.800 3.056 1.836 4.332 . 0 0 "[ . 1 . 2 .]" 1
403 1 34 LEU H 1 34 LEU HA 3.000 . 3.300 2.997 2.988 3.002 . 0 0 "[ . 1 . 2 .]" 1
404 1 34 LEU HB3 1 35 TYR H 4.000 . 5.000 3.230 2.946 3.516 . 0 0 "[ . 1 . 2 .]" 1
405 1 34 LEU H 1 35 TYR H 4.000 . 5.000 4.454 4.378 4.546 . 0 0 "[ . 1 . 2 .]" 1
406 1 34 LEU HA 1 35 TYR H 2.500 . 2.700 2.227 2.190 2.274 . 0 0 "[ . 1 . 2 .]" 1
407 1 35 TYR H 1 35 TYR HB3 4.000 . 5.000 3.941 3.821 4.013 . 0 0 "[ . 1 . 2 .]" 1
408 1 35 TYR H 1 35 TYR HD1 4.000 . 5.000 1.983 1.692 2.382 0.108 21 0 "[ . 1 . 2 .]" 1
409 1 35 TYR H 1 35 TYR HB2 3.000 . 3.300 3.089 2.886 3.374 0.074 18 0 "[ . 1 . 2 .]" 1
410 1 35 TYR HB3 1 36 HIS H 4.000 . 5.000 2.746 2.444 3.043 . 0 0 "[ . 1 . 2 .]" 1
411 1 35 TYR HB2 1 36 HIS H 4.000 . 5.000 3.257 2.741 3.767 . 0 0 "[ . 1 . 2 .]" 1
412 1 35 TYR HA 1 36 HIS H 2.500 . 2.700 2.357 2.227 2.503 . 0 0 "[ . 1 . 2 .]" 1
413 1 35 TYR HE2 1 57 PHE H 4.000 . 5.000 4.741 3.706 5.267 0.267 23 0 "[ . 1 . 2 .]" 1
414 1 36 HIS H 1 36 HIS QB 3.000 . 4.000 2.210 2.150 2.301 . 0 0 "[ . 1 . 2 .]" 1
415 1 36 HIS QB 1 37 GLU H 4.000 . 5.700 2.106 1.884 2.321 . 0 0 "[ . 1 . 2 .]" 1
416 1 36 HIS H 1 37 GLU H 4.000 . 5.000 4.510 4.413 4.621 . 0 0 "[ . 1 . 2 .]" 1
417 1 36 HIS HA 1 37 GLU H 2.500 . 2.700 2.636 2.564 2.732 0.032 18 0 "[ . 1 . 2 .]" 1
418 1 36 HIS QB 1 38 GLN H 3.000 . 4.000 2.088 1.917 2.256 . 0 0 "[ . 1 . 2 .]" 1
419 1 36 HIS H 1 39 CYS HB2 4.000 . 5.000 1.649 1.573 1.795 0.227 18 0 "[ . 1 . 2 .]" 1
420 1 36 HIS H 1 39 CYS HB3 4.000 . 5.000 3.046 2.799 3.184 . 0 0 "[ . 1 . 2 .]" 1
421 1 36 HIS H 1 40 PHE HE1 4.000 . 5.000 4.199 3.760 4.526 . 0 0 "[ . 1 . 2 .]" 1
422 1 37 GLU H 1 37 GLU HG2 3.000 . 4.000 2.637 1.761 3.489 0.039 23 0 "[ . 1 . 2 .]" 1
423 1 37 GLU H 1 37 GLU HG3 3.000 . 4.000 2.172 1.720 3.202 0.080 18 0 "[ . 1 . 2 .]" 1
424 1 37 GLU H 1 37 GLU QB 3.000 . 4.000 2.776 2.673 2.892 . 0 0 "[ . 1 . 2 .]" 1
425 1 37 GLU H 1 37 GLU HA 3.000 . 3.300 2.915 2.910 2.923 . 0 0 "[ . 1 . 2 .]" 1
426 1 37 GLU HA 1 38 GLN H 4.000 . 5.000 3.293 3.094 3.466 . 0 0 "[ . 1 . 2 .]" 1
427 1 37 GLU QB 1 38 GLN H 4.000 . 5.700 3.590 2.948 3.965 . 0 0 "[ . 1 . 2 .]" 1
428 1 37 GLU HG3 1 38 GLN H 3.000 . 4.000 3.496 2.628 4.231 0.231 19 0 "[ . 1 . 2 .]" 1
429 1 37 GLU H 1 38 GLN H 3.000 . 3.300 2.497 2.353 2.737 . 0 0 "[ . 1 . 2 .]" 1
430 1 37 GLU HA 1 39 CYS H 4.000 . 5.000 4.355 4.247 4.435 . 0 0 "[ . 1 . 2 .]" 1
431 1 37 GLU H 1 39 CYS H 4.000 . 5.000 4.730 4.468 4.906 . 0 0 "[ . 1 . 2 .]" 1
432 1 37 GLU HA 1 40 PHE H 4.000 . 5.000 5.184 5.049 5.333 0.333 10 0 "[ . 1 . 2 .]" 1
433 1 38 GLN H 1 38 GLN HB3 3.000 . 4.000 3.468 2.935 3.945 . 0 0 "[ . 1 . 2 .]" 1
434 1 38 GLN H 1 38 GLN HA 3.000 . 3.300 2.949 2.883 2.992 . 0 0 "[ . 1 . 2 .]" 1
435 1 38 GLN H 1 39 CYS H 3.000 . 3.300 2.634 2.246 2.925 . 0 0 "[ . 1 . 2 .]" 1
436 1 38 GLN QG 1 39 CYS H 4.000 . 5.700 4.335 3.853 4.688 . 0 0 "[ . 1 . 2 .]" 1
437 1 38 GLN HA 1 39 CYS H 2.500 . 2.700 2.720 2.658 2.773 0.073 9 0 "[ . 1 . 2 .]" 1
438 1 39 CYS H 1 39 CYS HB3 4.000 . 5.000 3.779 3.718 3.886 . 0 0 "[ . 1 . 2 .]" 1
439 1 39 CYS H 1 39 CYS HB2 3.000 . 3.300 2.651 2.556 2.808 . 0 0 "[ . 1 . 2 .]" 1
440 1 39 CYS H 1 40 PHE H 2.500 . 2.700 1.679 1.624 1.713 0.176 16 0 "[ . 1 . 2 .]" 1
441 1 39 CYS HB3 1 40 PHE H 4.000 . 5.000 3.951 3.765 4.272 . 0 0 "[ . 1 . 2 .]" 1
442 1 39 CYS HA 1 40 PHE H 3.000 . 3.300 3.404 3.290 3.463 0.163 21 0 "[ . 1 . 2 .]" 1
443 1 39 CYS H 1 41 VAL MG2 4.000 . 6.500 5.686 5.319 6.257 . 0 0 "[ . 1 . 2 .]" 1
444 1 39 CYS H 1 49 PHE H 4.000 . 5.000 4.442 3.956 5.103 0.103 16 0 "[ . 1 . 2 .]" 1
445 1 40 PHE H 1 40 PHE HB3 4.000 . 5.000 3.597 3.566 3.625 . 0 0 "[ . 1 . 2 .]" 1
446 1 40 PHE H 1 40 PHE HB2 2.500 . 2.700 2.402 2.311 2.646 . 0 0 "[ . 1 . 2 .]" 1
447 1 40 PHE H 1 40 PHE HA 3.000 . 3.300 2.788 2.735 2.852 . 0 0 "[ . 1 . 2 .]" 1
448 1 40 PHE H 1 41 VAL H 4.000 . 5.000 4.362 4.054 4.668 . 0 0 "[ . 1 . 2 .]" 1
449 1 40 PHE HA 1 41 VAL H 2.500 . 2.700 2.270 2.204 2.387 . 0 0 "[ . 1 . 2 .]" 1
450 1 40 PHE HB2 1 49 PHE H 4.000 . 5.000 3.104 2.427 3.613 . 0 0 "[ . 1 . 2 .]" 1
451 1 40 PHE H 1 52 GLY H 4.000 . 5.000 4.939 4.447 5.498 0.498 10 0 "[ . 1 . 2 .]" 1
452 1 40 PHE HB2 1 52 GLY H 4.000 . 5.000 3.852 3.187 4.675 . 0 0 "[ . 1 . 2 .]" 1
453 1 40 PHE HB2 1 53 LEU H 4.000 . 5.000 4.155 3.404 5.052 0.052 12 0 "[ . 1 . 2 .]" 1
454 1 41 VAL H 1 41 VAL MG1 3.000 . 4.800 3.254 2.717 3.685 . 0 0 "[ . 1 . 2 .]" 1
455 1 41 VAL H 1 41 VAL HA 3.000 . 3.300 2.982 2.933 2.996 . 0 0 "[ . 1 . 2 .]" 1
456 1 41 VAL MG1 1 42 CYS H 3.000 . 4.800 3.070 2.802 3.563 . 0 0 "[ . 1 . 2 .]" 1
457 1 41 VAL HB 1 42 CYS H 3.000 . 3.300 2.436 2.203 2.570 . 0 0 "[ . 1 . 2 .]" 1
458 1 41 VAL HA 1 42 CYS H 2.500 . 2.700 2.395 2.325 2.524 . 0 0 "[ . 1 . 2 .]" 1
459 1 41 VAL HB 1 43 ALA H 4.000 . 5.000 5.200 5.051 5.346 0.346 7 0 "[ . 1 . 2 .]" 1
460 1 41 VAL MG1 1 46 PHE H 4.000 . 6.500 5.044 4.887 5.366 . 0 0 "[ . 1 . 2 .]" 1
461 1 41 VAL HB 1 47 GLN H 4.000 . 5.000 4.312 3.838 4.677 . 0 0 "[ . 1 . 2 .]" 1
462 1 41 VAL MG1 1 47 GLN H 4.000 . 6.500 4.016 3.596 4.400 . 0 0 "[ . 1 . 2 .]" 1
463 1 41 VAL HA 1 49 PHE H 4.000 . 5.000 3.851 3.426 4.110 . 0 0 "[ . 1 . 2 .]" 1
464 1 42 CYS H 1 42 CYS HB3 2.500 . 2.700 2.552 2.364 2.671 . 0 0 "[ . 1 . 2 .]" 1
465 1 42 CYS H 1 42 CYS HB2 2.500 . 2.700 2.668 2.537 2.821 0.121 19 0 "[ . 1 . 2 .]" 1
466 1 42 CYS H 1 42 CYS HA 3.000 . 3.300 2.960 2.934 2.976 . 0 0 "[ . 1 . 2 .]" 1
467 1 42 CYS HA 1 43 ALA H 2.500 . 2.700 2.203 2.189 2.231 . 0 0 "[ . 1 . 2 .]" 1
468 1 42 CYS HB3 1 46 PHE H 3.000 . 3.300 2.133 1.933 2.362 . 0 0 "[ . 1 . 2 .]" 1
469 1 42 CYS H 1 46 PHE H 4.000 . 5.000 3.398 3.265 3.532 . 0 0 "[ . 1 . 2 .]" 1
470 1 42 CYS H 1 46 PHE HB2 4.000 . 5.700 5.112 4.369 5.324 . 0 0 "[ . 1 . 2 .]" 1
471 1 42 CYS H 1 46 PHE HA 4.000 . 5.000 2.591 2.251 2.801 . 0 0 "[ . 1 . 2 .]" 1
472 1 42 CYS H 1 46 PHE HD1 4.000 . 5.000 4.742 4.361 5.223 0.223 5 0 "[ . 1 . 2 .]" 1
473 1 42 CYS HB3 1 47 GLN H 4.000 . 5.000 2.275 1.932 2.627 . 0 0 "[ . 1 . 2 .]" 1
474 1 42 CYS H 1 47 GLN H 3.000 . 3.300 2.638 2.248 2.938 . 0 0 "[ . 1 . 2 .]" 1
475 1 42 CYS H 1 48 GLN HA 4.000 . 5.000 4.072 3.888 4.394 . 0 0 "[ . 1 . 2 .]" 1
476 1 42 CYS H 1 61 LYS HE2 3.000 . 4.000 4.166 4.057 4.268 0.268 2 0 "[ . 1 . 2 .]" 1
477 1 42 CYS HB2 1 63 CYS H 4.000 . 5.000 2.770 2.445 3.105 . 0 0 "[ . 1 . 2 .]" 1
478 1 42 CYS HB3 1 63 CYS H 4.000 . 5.000 4.193 3.936 4.502 . 0 0 "[ . 1 . 2 .]" 1
479 1 43 ALA H 1 43 ALA MB 2.500 . 3.100 2.150 2.090 2.257 . 0 0 "[ . 1 . 2 .]" 1
480 1 43 ALA H 1 43 ALA HA 3.000 . 3.300 2.822 2.784 2.843 . 0 0 "[ . 1 . 2 .]" 1
481 1 43 ALA H 1 44 GLN H 3.000 . 3.300 2.805 2.737 2.891 . 0 0 "[ . 1 . 2 .]" 1
482 1 43 ALA H 1 61 LYS H 4.000 . 5.000 3.773 3.377 4.400 . 0 0 "[ . 1 . 2 .]" 1
483 1 43 ALA H 1 61 LYS HE2 4.000 . 5.700 3.351 2.398 4.164 . 0 0 "[ . 1 . 2 .]" 1
484 1 43 ALA H 1 61 LYS HD2 4.000 . 5.000 4.896 4.524 5.090 0.090 21 0 "[ . 1 . 2 .]" 1
485 1 43 ALA H 1 62 TYR QE 4.000 . 5.000 4.215 3.868 4.878 . 0 0 "[ . 1 . 2 .]" 1
486 1 43 ALA H 1 62 TYR H 4.000 . 5.000 4.488 4.331 4.690 . 0 0 "[ . 1 . 2 .]" 1
487 1 43 ALA H 1 62 TYR HD1 4.000 . 5.000 3.438 2.777 4.092 . 0 0 "[ . 1 . 2 .]" 1
488 1 43 ALA H 1 62 TYR HA 3.000 . 3.300 2.764 2.348 3.102 . 0 0 "[ . 1 . 2 .]" 1
489 1 43 ALA H 1 63 CYS H 4.000 . 5.000 4.537 4.012 5.007 0.007 6 0 "[ . 1 . 2 .]" 1
490 1 44 GLN H 1 44 GLN HG2 4.000 . 5.700 3.132 1.843 4.046 . 0 0 "[ . 1 . 2 .]" 1
491 1 44 GLN H 1 44 GLN HG3 2.500 . 3.400 2.751 2.272 3.543 0.143 2 0 "[ . 1 . 2 .]" 1
492 1 44 GLN HG3 1 45 CYS H 3.000 . 4.000 3.905 3.546 4.156 0.156 21 0 "[ . 1 . 2 .]" 1
493 1 44 GLN QB 1 45 CYS H 2.500 . 3.400 2.001 1.827 2.134 . 0 0 "[ . 1 . 2 .]" 1
494 1 44 GLN H 1 45 CYS H 3.000 . 3.300 2.560 2.378 2.797 . 0 0 "[ . 1 . 2 .]" 1
495 1 44 GLN HG3 1 46 PHE H 4.000 . 5.700 5.385 5.034 5.914 0.214 2 0 "[ . 1 . 2 .]" 1
496 1 44 GLN H 1 46 PHE H 4.000 . 5.000 2.887 2.754 3.014 . 0 0 "[ . 1 . 2 .]" 1
497 1 44 GLN H 1 62 TYR QE 4.000 . 5.000 4.137 3.777 4.453 . 0 0 "[ . 1 . 2 .]" 1
498 1 45 CYS H 1 45 CYS HB3 4.000 . 5.700 2.536 2.414 2.672 . 0 0 "[ . 1 . 2 .]" 1
499 1 45 CYS H 1 45 CYS HB2 3.000 . 4.000 3.654 3.621 3.689 . 0 0 "[ . 1 . 2 .]" 1
500 1 45 CYS H 1 46 PHE HA 4.000 . 5.000 4.777 4.595 4.932 . 0 0 "[ . 1 . 2 .]" 1
501 1 45 CYS H 1 46 PHE H 2.500 . 2.700 2.482 2.353 2.617 . 0 0 "[ . 1 . 2 .]" 1
502 1 45 CYS HA 1 46 PHE H 4.000 . 5.000 3.371 3.216 3.414 . 0 0 "[ . 1 . 2 .]" 1
503 1 45 CYS HB3 1 46 PHE H 4.000 . 5.700 4.165 4.072 4.298 . 0 0 "[ . 1 . 2 .]" 1
504 1 45 CYS H 1 62 TYR HD1 4.000 . 5.000 5.018 4.879 5.131 0.131 4 0 "[ . 1 . 2 .]" 1
505 1 46 PHE H 1 46 PHE HA 2.500 . 2.700 2.341 2.331 2.355 . 0 0 "[ . 1 . 2 .]" 1
506 1 46 PHE H 1 47 GLN H 3.000 . 3.300 2.760 2.666 2.984 . 0 0 "[ . 1 . 2 .]" 1
507 1 46 PHE HA 1 47 GLN H 3.000 . 3.300 3.079 2.959 3.175 . 0 0 "[ . 1 . 2 .]" 1
508 1 47 GLN H 1 47 GLN HG2 4.000 . 5.700 4.326 2.460 4.737 . 0 0 "[ . 1 . 2 .]" 1
509 1 47 GLN H 1 47 GLN QB 2.500 . 3.400 2.302 2.197 2.498 . 0 0 "[ . 1 . 2 .]" 1
510 1 47 GLN H 1 47 GLN HG3 4.000 . 5.700 4.234 2.327 4.621 . 0 0 "[ . 1 . 2 .]" 1
511 1 47 GLN QB 1 48 GLN H 4.000 . 5.700 3.740 3.223 3.935 . 0 0 "[ . 1 . 2 .]" 1
512 1 47 GLN HA 1 48 GLN H 2.500 . 2.700 2.210 2.192 2.227 . 0 0 "[ . 1 . 2 .]" 1
513 1 48 GLN H 1 48 GLN HB3 4.000 . 5.000 3.069 2.387 3.593 . 0 0 "[ . 1 . 2 .]" 1
514 1 48 GLN H 1 48 GLN HB2 3.000 . 3.300 3.457 3.010 3.635 0.335 13 0 "[ . 1 . 2 .]" 1
515 1 48 GLN H 1 48 GLN QG 2.500 . 3.400 2.006 1.741 3.370 0.059 15 0 "[ . 1 . 2 .]" 1
516 1 48 GLN H 1 48 GLN HA 3.000 . 3.300 2.909 2.868 2.949 . 0 0 "[ . 1 . 2 .]" 1
517 1 48 GLN HB2 1 49 PHE H 4.000 . 5.000 2.659 2.134 3.624 . 0 0 "[ . 1 . 2 .]" 1
518 1 48 GLN HB3 1 49 PHE H 3.000 . 3.300 3.470 3.249 3.842 0.542 14 1 "[ . 1 +. 2 .]" 1
519 1 48 GLN HA 1 49 PHE H 2.500 . 2.700 2.411 2.218 2.563 . 0 0 "[ . 1 . 2 .]" 1
520 1 49 PHE H 1 49 PHE HB2 3.000 . 3.300 2.872 2.623 3.352 0.052 16 0 "[ . 1 . 2 .]" 1
521 1 49 PHE H 1 49 PHE HD1 4.000 . 5.000 4.987 4.203 5.231 0.231 18 0 "[ . 1 . 2 .]" 1
522 1 49 PHE H 1 49 PHE HB3 4.000 . 5.000 3.450 2.753 3.877 . 0 0 "[ . 1 . 2 .]" 1
523 1 49 PHE H 1 49 PHE HA 3.000 . 3.300 2.957 2.899 2.988 . 0 0 "[ . 1 . 2 .]" 1
524 1 50 PRO HB3 1 51 GLU H 4.000 . 5.000 3.767 2.838 4.663 . 0 0 "[ . 1 . 2 .]" 1
525 1 50 PRO HG2 1 51 GLU H 4.000 . 5.700 4.496 3.647 5.660 . 0 0 "[ . 1 . 2 .]" 1
526 1 50 PRO HA 1 51 GLU H 3.000 . 3.300 2.881 2.194 3.475 0.175 18 0 "[ . 1 . 2 .]" 1
527 1 50 PRO HB2 1 51 GLU H 4.000 . 5.000 3.121 1.792 4.098 0.008 1 0 "[ . 1 . 2 .]" 1
528 1 50 PRO HB2 1 52 GLY H 4.000 . 5.000 4.690 3.429 5.060 0.060 13 0 "[ . 1 . 2 .]" 1
529 1 50 PRO HA 1 52 GLY H 4.000 . 5.000 3.594 2.971 4.336 . 0 0 "[ . 1 . 2 .]" 1
530 1 51 GLU H 1 51 GLU HB2 3.000 . 4.000 3.130 2.137 3.992 . 0 0 "[ . 1 . 2 .]" 1
531 1 51 GLU H 1 51 GLU HB3 4.000 . 5.700 3.432 2.356 4.114 . 0 0 "[ . 1 . 2 .]" 1
532 1 51 GLU H 1 51 GLU HA 3.000 . 3.300 2.590 2.342 2.910 . 0 0 "[ . 1 . 2 .]" 1
533 1 51 GLU HB3 1 52 GLY H 4.000 . 5.700 3.795 2.578 4.689 . 0 0 "[ . 1 . 2 .]" 1
534 1 51 GLU H 1 52 GLY H 3.000 . 3.300 2.987 2.583 3.485 0.185 10 0 "[ . 1 . 2 .]" 1
535 1 51 GLU HA 1 52 GLY H 4.000 . 5.000 3.291 2.637 3.559 . 0 0 "[ . 1 . 2 .]" 1
536 1 52 GLY H 1 52 GLY HA2 2.500 . 3.400 2.531 2.342 2.998 . 0 0 "[ . 1 . 2 .]" 1
537 1 52 GLY H 1 52 GLY HA3 3.000 . 4.000 2.766 2.375 2.978 . 0 0 "[ . 1 . 2 .]" 1
538 1 52 GLY H 1 53 LEU QB 4.000 . 5.700 4.767 4.269 5.096 . 0 0 "[ . 1 . 2 .]" 1
539 1 52 GLY H 1 53 LEU H 2.500 . 2.700 2.558 2.221 2.792 0.092 8 0 "[ . 1 . 2 .]" 1
540 1 52 GLY HA2 1 53 LEU H 3.000 . 4.000 3.201 2.664 3.575 . 0 0 "[ . 1 . 2 .]" 1
541 1 52 GLY HA3 1 53 LEU H 4.000 . 5.700 3.303 2.883 3.596 . 0 0 "[ . 1 . 2 .]" 1
542 1 53 LEU H 1 53 LEU HG 4.000 . 5.000 4.562 3.962 5.282 0.282 7 0 "[ . 1 . 2 .]" 1
543 1 53 LEU H 1 53 LEU QB 3.000 . 4.000 2.958 2.849 3.023 . 0 0 "[ . 1 . 2 .]" 1
544 1 53 LEU H 1 53 LEU HA 3.000 . 3.300 2.720 2.345 2.898 . 0 0 "[ . 1 . 2 .]" 1
545 1 53 LEU QB 1 54 PHE H 4.000 . 5.700 3.855 3.069 4.026 . 0 0 "[ . 1 . 2 .]" 1
546 1 53 LEU H 1 54 PHE H 4.000 . 5.000 3.551 2.630 4.505 . 0 0 "[ . 1 . 2 .]" 1
547 1 53 LEU HG 1 54 PHE H 4.000 . 5.000 3.847 2.024 4.767 . 0 0 "[ . 1 . 2 .]" 1
548 1 53 LEU HA 1 54 PHE H 3.000 . 3.300 2.317 2.155 2.620 . 0 0 "[ . 1 . 2 .]" 1
549 1 54 PHE H 1 54 PHE HD1 4.000 . 5.000 1.969 1.770 2.485 0.030 16 0 "[ . 1 . 2 .]" 1
550 1 54 PHE H 1 55 TYR HA 4.000 . 5.000 4.961 4.210 5.323 0.323 2 0 "[ . 1 . 2 .]" 1
551 1 54 PHE HB2 1 55 TYR H 3.000 . 4.000 1.944 1.679 2.379 0.121 20 0 "[ . 1 . 2 .]" 1
552 1 54 PHE HB3 1 55 TYR H 4.000 . 5.700 3.339 3.253 3.436 . 0 0 "[ . 1 . 2 .]" 1
553 1 54 PHE HA 1 55 TYR H 4.000 . 5.000 3.288 3.066 3.494 . 0 0 "[ . 1 . 2 .]" 1
554 1 54 PHE HD2 1 63 CYS H 4.000 . 5.000 4.332 3.487 4.772 . 0 0 "[ . 1 . 2 .]" 1
555 1 54 PHE HD2 1 64 GLU H 4.000 . 5.000 3.730 3.363 4.048 . 0 0 "[ . 1 . 2 .]" 1
556 1 55 TYR H 1 55 TYR HB3 4.000 . 5.000 3.364 2.397 3.706 . 0 0 "[ . 1 . 2 .]" 1
557 1 55 TYR H 1 55 TYR HB2 3.000 . 3.300 2.393 2.194 3.491 0.191 8 0 "[ . 1 . 2 .]" 1
558 1 55 TYR HB3 1 56 GLU H 4.000 . 5.000 4.333 4.290 4.626 . 0 0 "[ . 1 . 2 .]" 1
559 1 55 TYR HA 1 56 GLU H 2.500 . 2.700 2.617 2.365 2.753 0.053 3 0 "[ . 1 . 2 .]" 1
560 1 55 TYR H 1 62 TYR H 4.000 . 5.000 4.119 3.575 4.490 . 0 0 "[ . 1 . 2 .]" 1
561 1 56 GLU H 1 56 GLU HB3 3.000 . 4.000 2.591 2.074 3.242 . 0 0 "[ . 1 . 2 .]" 1
562 1 56 GLU H 1 56 GLU HB2 3.000 . 4.000 3.362 2.149 3.660 . 0 0 "[ . 1 . 2 .]" 1
563 1 56 GLU H 1 56 GLU HG3 3.000 . 4.000 3.362 1.751 4.261 0.261 8 0 "[ . 1 . 2 .]" 1
564 1 56 GLU H 1 56 GLU HG2 3.000 . 4.000 3.371 1.701 4.623 0.623 19 2 "[ . - 1 . +2 .]" 1
565 1 56 GLU HG2 1 57 PHE H 4.000 . 5.700 3.876 2.073 5.302 . 0 0 "[ . 1 . 2 .]" 1
566 1 56 GLU HB2 1 57 PHE H 4.000 . 5.700 3.055 2.568 4.147 . 0 0 "[ . 1 . 2 .]" 1
567 1 56 GLU HB3 1 57 PHE H 4.000 . 5.700 3.889 3.225 4.250 . 0 0 "[ . 1 . 2 .]" 1
568 1 56 GLU HA 1 57 PHE H 2.500 . 2.700 2.408 2.225 2.540 . 0 0 "[ . 1 . 2 .]" 1
569 1 56 GLU H 1 62 TYR H 4.000 . 5.000 4.105 3.933 4.544 . 0 0 "[ . 1 . 2 .]" 1
570 1 56 GLU HA 1 62 TYR H 4.000 . 5.000 2.264 1.782 2.730 0.018 6 0 "[ . 1 . 2 .]" 1
571 1 57 PHE H 1 57 PHE HB3 4.000 . 5.700 3.496 3.209 3.780 . 0 0 "[ . 1 . 2 .]" 1
572 1 57 PHE HA 1 58 GLU H 2.500 . 2.700 2.456 2.268 2.606 . 0 0 "[ . 1 . 2 .]" 1
573 1 57 PHE H 1 60 ARG H 4.000 . 5.000 3.845 3.493 4.082 . 0 0 "[ . 1 . 2 .]" 1
574 1 57 PHE H 1 61 LYS HA 3.000 . 3.300 2.227 1.755 2.600 0.045 16 0 "[ . 1 . 2 .]" 1
575 1 57 PHE H 1 62 TYR HD2 4.000 . 5.000 4.889 4.264 5.094 0.094 23 0 "[ . 1 . 2 .]" 1
576 1 58 GLU H 1 58 GLU HB3 3.000 . 4.000 2.881 2.422 3.617 . 0 0 "[ . 1 . 2 .]" 1
577 1 58 GLU H 1 58 GLU HG3 4.000 . 5.700 3.288 1.909 4.623 . 0 0 "[ . 1 . 2 .]" 1
578 1 58 GLU H 1 58 GLU HB2 4.000 . 5.700 3.072 2.164 3.610 . 0 0 "[ . 1 . 2 .]" 1
579 1 58 GLU H 1 58 GLU HA 3.000 . 3.300 2.873 2.812 2.903 . 0 0 "[ . 1 . 2 .]" 1
580 1 58 GLU HB3 1 59 GLY H 4.000 . 5.700 4.143 3.524 4.417 . 0 0 "[ . 1 . 2 .]" 1
581 1 58 GLU HG2 1 59 GLY H 4.000 . 5.700 4.573 2.225 5.645 . 0 0 "[ . 1 . 2 .]" 1
582 1 58 GLU H 1 59 GLY H 4.000 . 5.000 4.361 2.735 4.566 . 0 0 "[ . 1 . 2 .]" 1
583 1 58 GLU H 1 59 GLY HA3 4.000 . 5.700 5.676 5.140 5.836 0.136 17 0 "[ . 1 . 2 .]" 1
584 1 58 GLU HA 1 59 GLY H 3.000 . 3.300 2.285 2.165 3.488 0.188 3 0 "[ . 1 . 2 .]" 1
585 1 58 GLU HA 1 60 ARG H 4.000 . 5.000 3.587 3.376 4.739 . 0 0 "[ . 1 . 2 .]" 1
586 1 58 GLU HB3 1 60 ARG H 4.000 . 5.700 5.126 4.563 5.751 0.051 4 0 "[ . 1 . 2 .]" 1
587 1 58 GLU H 1 60 ARG H 4.000 . 5.000 4.012 3.826 4.486 . 0 0 "[ . 1 . 2 .]" 1
588 1 59 GLY H 1 59 GLY HA3 2.500 . 3.400 2.870 2.372 2.981 . 0 0 "[ . 1 . 2 .]" 1
589 1 59 GLY H 1 59 GLY HA2 2.500 . 3.400 2.410 2.343 2.980 . 0 0 "[ . 1 . 2 .]" 1
590 1 59 GLY H 1 60 ARG H 2.500 . 2.700 2.659 1.814 2.963 0.263 4 0 "[ . 1 . 2 .]" 1
591 1 59 GLY HA3 1 60 ARG H 3.000 . 4.000 3.229 2.717 3.367 . 0 0 "[ . 1 . 2 .]" 1
592 1 59 GLY HA2 1 60 ARG H 4.000 . 5.700 3.341 3.199 3.562 . 0 0 "[ . 1 . 2 .]" 1
593 1 60 ARG H 1 60 ARG HB2 3.000 . 4.000 2.898 2.676 3.933 . 0 0 "[ . 1 . 2 .]" 1
594 1 60 ARG H 1 60 ARG HG2 4.000 . 5.700 3.863 2.178 5.027 . 0 0 "[ . 1 . 2 .]" 1
595 1 60 ARG H 1 60 ARG HG3 4.000 . 5.700 3.368 2.220 4.791 . 0 0 "[ . 1 . 2 .]" 1
596 1 60 ARG HA 1 61 LYS H 2.500 . 2.700 2.544 2.207 2.783 0.083 25 0 "[ . 1 . 2 .]" 1
597 1 60 ARG HB3 1 61 LYS H 3.000 . 4.000 2.559 1.800 4.061 0.061 16 0 "[ . 1 . 2 .]" 1
598 1 60 ARG HG2 1 61 LYS H 4.000 . 5.700 4.244 3.434 4.890 . 0 0 "[ . 1 . 2 .]" 1
599 1 61 LYS H 1 61 LYS HD2 4.000 . 5.000 4.305 2.444 5.127 0.127 21 0 "[ . 1 . 2 .]" 1
600 1 61 LYS H 1 61 LYS HB3 4.000 . 5.000 3.471 2.579 3.948 . 0 0 "[ . 1 . 2 .]" 1
601 1 61 LYS H 1 61 LYS HG3 4.000 . 5.700 3.332 1.773 4.517 0.027 17 0 "[ . 1 . 2 .]" 1
602 1 61 LYS H 1 61 LYS HA 3.000 . 3.300 2.910 2.853 2.993 . 0 0 "[ . 1 . 2 .]" 1
603 1 61 LYS H 1 61 LYS HB2 4.000 . 5.000 3.899 3.374 4.120 . 0 0 "[ . 1 . 2 .]" 1
604 1 61 LYS H 1 61 LYS HG2 3.000 . 4.000 2.746 1.774 3.740 0.026 8 0 "[ . 1 . 2 .]" 1
605 1 61 LYS HA 1 62 TYR H 2.500 . 2.700 2.244 2.198 2.345 . 0 0 "[ . 1 . 2 .]" 1
606 1 61 LYS HB3 1 62 TYR H 4.000 . 5.000 4.095 3.372 4.406 . 0 0 "[ . 1 . 2 .]" 1
607 1 62 TYR H 1 62 TYR HB3 4.000 . 5.000 3.912 3.863 3.977 . 0 0 "[ . 1 . 2 .]" 1
608 1 62 TYR H 1 62 TYR HD2 3.000 . 3.300 3.321 3.147 3.427 0.127 4 0 "[ . 1 . 2 .]" 1
609 1 62 TYR H 1 63 CYS H 4.000 . 5.000 4.374 4.223 4.460 . 0 0 "[ . 1 . 2 .]" 1
610 1 62 TYR HB2 1 63 CYS H 4.000 . 5.000 3.884 3.572 4.230 . 0 0 "[ . 1 . 2 .]" 1
611 1 62 TYR HB3 1 63 CYS H 4.000 . 5.000 2.910 2.498 3.270 . 0 0 "[ . 1 . 2 .]" 1
612 1 62 TYR HD1 1 63 CYS H 4.000 . 5.000 3.998 3.643 4.269 . 0 0 "[ . 1 . 2 .]" 1
613 1 62 TYR HA 1 63 CYS H 2.500 . 2.700 2.264 2.184 2.363 . 0 0 "[ . 1 . 2 .]" 1
614 1 62 TYR HB2 1 67 PHE H 4.000 . 5.000 4.416 4.034 4.852 . 0 0 "[ . 1 . 2 .]" 1
615 1 63 CYS H 1 63 CYS HB3 4.000 . 5.000 2.980 2.756 3.177 . 0 0 "[ . 1 . 2 .]" 1
616 1 63 CYS H 1 64 GLU H 4.000 . 5.000 4.520 4.413 4.608 . 0 0 "[ . 1 . 2 .]" 1
617 1 63 CYS HB3 1 64 GLU H 4.000 . 5.000 3.620 3.467 3.938 . 0 0 "[ . 1 . 2 .]" 1
618 1 63 CYS HB3 1 65 HIS H 4.000 . 5.000 4.074 4.013 4.161 . 0 0 "[ . 1 . 2 .]" 1
619 1 63 CYS HB2 1 65 HIS H 2.500 . 2.700 2.845 2.783 2.949 0.249 10 0 "[ . 1 . 2 .]" 1
620 1 63 CYS H 1 65 HIS HB3 4.000 . 5.700 4.277 4.032 4.620 . 0 0 "[ . 1 . 2 .]" 1
621 1 63 CYS H 1 66 ASP HB2 4.000 . 5.000 3.495 2.657 4.178 . 0 0 "[ . 1 . 2 .]" 1
622 1 63 CYS H 1 67 PHE H 4.000 . 5.000 4.265 3.553 4.709 . 0 0 "[ . 1 . 2 .]" 1
623 1 64 GLU H 1 64 GLU HB3 4.000 . 5.700 2.743 2.588 3.046 . 0 0 "[ . 1 . 2 .]" 1
624 1 64 GLU H 1 64 GLU HG3 4.000 . 5.700 4.478 4.226 4.588 . 0 0 "[ . 1 . 2 .]" 1
625 1 64 GLU H 1 64 GLU HB2 2.500 . 3.400 2.401 2.184 2.542 . 0 0 "[ . 1 . 2 .]" 1
626 1 64 GLU HB3 1 65 HIS H 3.000 . 4.000 3.449 3.062 3.854 . 0 0 "[ . 1 . 2 .]" 1
627 1 64 GLU HB2 1 65 HIS H 4.000 . 5.700 4.217 3.959 4.371 . 0 0 "[ . 1 . 2 .]" 1
628 1 64 GLU HG2 1 65 HIS H 4.000 . 5.700 5.260 4.247 5.807 0.107 19 0 "[ . 1 . 2 .]" 1
629 1 64 GLU HA 1 65 HIS H 4.000 . 5.000 3.339 3.165 3.472 . 0 0 "[ . 1 . 2 .]" 1
630 1 64 GLU H 1 65 HIS H 3.000 . 3.300 2.748 2.646 2.855 . 0 0 "[ . 1 . 2 .]" 1
631 1 64 GLU HG3 1 68 GLN H 3.000 . 4.000 3.868 3.362 4.043 0.043 6 0 "[ . 1 . 2 .]" 1
632 1 65 HIS H 1 65 HIS HB2 2.500 . 3.400 3.229 3.093 3.334 . 0 0 "[ . 1 . 2 .]" 1
633 1 65 HIS H 1 65 HIS HB3 2.500 . 3.400 2.150 2.125 2.175 . 0 0 "[ . 1 . 2 .]" 1
634 1 65 HIS H 1 65 HIS HA 3.000 . 3.300 2.913 2.855 2.944 . 0 0 "[ . 1 . 2 .]" 1
635 1 65 HIS HB3 1 66 ASP H 2.500 . 3.400 2.640 2.548 2.765 . 0 0 "[ . 1 . 2 .]" 1
636 1 65 HIS HA 1 66 ASP H 4.000 . 5.000 3.586 3.575 3.597 . 0 0 "[ . 1 . 2 .]" 1
637 1 65 HIS HB2 1 66 ASP H 3.000 . 4.000 3.753 3.669 3.901 . 0 0 "[ . 1 . 2 .]" 1
638 1 66 ASP H 1 66 ASP HB3 4.000 . 5.000 3.290 3.073 3.577 . 0 0 "[ . 1 . 2 .]" 1
639 1 66 ASP H 1 66 ASP HB2 2.500 . 2.700 2.141 2.090 2.804 0.104 18 0 "[ . 1 . 2 .]" 1
640 1 66 ASP H 1 66 ASP HA 3.000 . 3.300 2.836 2.796 2.880 . 0 0 "[ . 1 . 2 .]" 1
641 1 66 ASP H 1 67 PHE H 3.000 . 3.300 2.711 2.556 2.877 . 0 0 "[ . 1 . 2 .]" 1
642 1 66 ASP HB3 1 67 PHE H 4.000 . 5.000 3.007 2.515 3.895 . 0 0 "[ . 1 . 2 .]" 1
643 1 66 ASP HB2 1 67 PHE H 4.000 . 5.000 3.220 2.573 3.455 . 0 0 "[ . 1 . 2 .]" 1
644 1 66 ASP HA 1 67 PHE H 4.000 . 5.000 3.525 3.490 3.560 . 0 0 "[ . 1 . 2 .]" 1
645 1 67 PHE H 1 67 PHE HB2 3.000 . 3.300 2.124 2.092 2.179 . 0 0 "[ . 1 . 2 .]" 1
646 1 67 PHE H 1 67 PHE HB3 3.000 . 3.300 3.236 3.074 3.429 0.129 11 0 "[ . 1 . 2 .]" 1
647 1 67 PHE H 1 67 PHE HA 3.000 . 3.300 2.881 2.862 2.906 . 0 0 "[ . 1 . 2 .]" 1
648 1 67 PHE HA 1 68 GLN H 4.000 . 5.000 3.597 3.574 3.617 . 0 0 "[ . 1 . 2 .]" 1
649 1 67 PHE QD 1 68 GLN H 4.000 . 5.000 4.558 4.361 4.652 . 0 0 "[ . 1 . 2 .]" 1
650 1 67 PHE HB3 1 68 GLN H 3.000 . 3.300 3.089 2.698 3.432 0.132 1 0 "[ . 1 . 2 .]" 1
651 1 67 PHE H 1 68 GLN HG3 4.000 . 5.700 5.325 4.569 5.857 0.157 14 0 "[ . 1 . 2 .]" 1
652 1 67 PHE H 1 68 GLN H 3.000 . 3.300 2.686 2.593 2.769 . 0 0 "[ . 1 . 2 .]" 1
653 1 68 GLN H 1 68 GLN HG3 4.000 . 5.700 3.124 2.448 3.589 . 0 0 "[ . 1 . 2 .]" 1
654 1 68 GLN H 1 68 GLN HB2 3.000 . 4.000 3.674 3.624 3.694 . 0 0 "[ . 1 . 2 .]" 1
655 1 68 GLN H 1 68 GLN HG2 4.000 . 5.700 2.767 2.305 3.487 . 0 0 "[ . 1 . 2 .]" 1
656 1 68 GLN H 1 68 GLN HB3 3.000 . 4.000 2.518 2.388 2.580 . 0 0 "[ . 1 . 2 .]" 1
657 1 68 GLN H 1 68 GLN HA 3.000 . 3.300 2.915 2.886 2.942 . 0 0 "[ . 1 . 2 .]" 1
658 1 68 GLN H 1 69 MET H 3.000 . 3.300 2.450 2.310 2.527 . 0 0 "[ . 1 . 2 .]" 1
659 1 68 GLN HB2 1 69 MET H 4.000 . 5.700 4.222 4.088 4.411 . 0 0 "[ . 1 . 2 .]" 1
660 1 68 GLN HA 1 69 MET H 4.000 . 5.000 3.397 3.242 3.456 . 0 0 "[ . 1 . 2 .]" 1
661 1 68 GLN HB2 1 70 LEU H 4.000 . 5.700 5.754 5.533 5.826 0.126 9 0 "[ . 1 . 2 .]" 1
662 1 68 GLN HA 1 71 PHE H 4.000 . 5.000 3.031 2.577 3.944 . 0 0 "[ . 1 . 2 .]" 1
663 1 69 MET H 1 69 MET HG2 4.000 . 5.700 4.034 2.246 4.672 . 0 0 "[ . 1 . 2 .]" 1
664 1 69 MET H 1 69 MET QB 2.500 . 3.400 2.234 2.081 2.431 . 0 0 "[ . 1 . 2 .]" 1
665 1 69 MET H 1 69 MET HG3 4.000 . 5.700 4.142 2.916 4.697 . 0 0 "[ . 1 . 2 .]" 1
666 1 69 MET H 1 69 MET HA 3.000 . 3.300 2.896 2.863 2.948 . 0 0 "[ . 1 . 2 .]" 1
667 1 69 MET QB 1 71 PHE H 4.000 . 5.700 4.450 4.244 5.317 . 0 0 "[ . 1 . 2 .]" 1
668 1 69 MET H 1 71 PHE HA 4.000 . 5.000 5.383 5.219 6.085 1.085 24 5 "[ . *1 -. * 2 * +.]" 1
669 1 70 LEU H 1 70 LEU HB2 3.000 . 3.300 2.841 2.819 2.871 . 0 0 "[ . 1 . 2 .]" 1
670 1 70 LEU H 1 70 LEU MD1 4.000 . 6.500 3.533 3.520 3.558 . 0 0 "[ . 1 . 2 .]" 1
671 1 70 LEU H 1 70 LEU HG 4.000 . 5.000 1.786 1.764 1.921 0.036 1 0 "[ . 1 . 2 .]" 1
672 1 70 LEU H 1 70 LEU MD2 4.000 . 6.500 2.520 2.399 3.033 . 0 0 "[ . 1 . 2 .]" 1
673 1 70 LEU H 1 70 LEU HA 3.000 . 3.300 2.917 2.893 2.988 . 0 0 "[ . 1 . 2 .]" 1
674 1 70 LEU HB2 1 71 PHE H 3.000 . 3.300 2.776 1.729 3.131 0.071 22 0 "[ . 1 . 2 .]" 1
675 1 70 LEU HB3 1 71 PHE H 4.000 . 5.000 4.016 3.215 4.254 . 0 0 "[ . 1 . 2 .]" 1
676 1 70 LEU H 1 71 PHE H 3.000 . 3.300 2.414 1.973 3.004 . 0 0 "[ . 1 . 2 .]" 1
677 1 70 LEU HA 1 71 PHE H 4.000 . 5.000 3.467 3.409 3.564 . 0 0 "[ . 1 . 2 .]" 1
678 1 71 PHE H 1 71 PHE HB3 4.000 . 5.000 3.848 2.995 4.123 . 0 0 "[ . 1 . 2 .]" 1
679 1 71 PHE H 1 71 PHE HB2 3.000 . 3.300 3.175 2.273 3.499 0.199 25 0 "[ . 1 . 2 .]" 1
680 1 71 PHE HA 1 72 ALA H 3.000 . 3.300 2.747 2.231 3.561 0.261 18 0 "[ . 1 . 2 .]" 1
681 1 71 PHE HB2 1 72 ALA H 4.000 . 5.000 4.313 2.616 4.696 . 0 0 "[ . 1 . 2 .]" 1
682 1 71 PHE H 1 72 ALA H 3.000 . 3.300 2.970 2.090 3.357 0.057 14 0 "[ . 1 . 2 .]" 1
683 1 72 ALA H 1 72 ALA MB 3.000 . 3.700 2.629 2.063 2.953 . 0 0 "[ . 1 . 2 .]" 1
684 1 72 ALA H 1 72 ALA HA 3.000 . 3.300 2.739 2.343 2.995 . 0 0 "[ . 1 . 2 .]" 1
685 1 72 ALA H 1 73 PRO HD2 4.000 . 5.700 3.746 1.768 4.913 0.032 18 0 "[ . 1 . 2 .]" 1
686 1 73 PRO HB3 1 74 CYS H 4.000 . 5.700 4.164 3.224 4.497 . 0 0 "[ . 1 . 2 .]" 1
687 1 73 PRO HA 1 74 CYS H 3.000 . 3.300 2.723 2.185 3.420 0.120 16 0 "[ . 1 . 2 .]" 1
688 1 74 CYS H 1 74 CYS HA 3.000 . 3.300 2.779 2.341 2.994 . 0 0 "[ . 1 . 2 .]" 1
689 1 13 THR HA 1 21 PHE HD1 3.000 . 3.300 3.522 3.456 3.565 0.265 23 0 "[ . 1 . 2 .]" 1
690 1 14 CYS HA 1 21 PHE HD2 4.000 . 5.000 4.049 3.913 4.260 . 0 0 "[ . 1 . 2 .]" 1
691 1 15 GLU QB 1 21 PHE HE2 4.000 . 5.700 5.190 4.949 5.345 . 0 0 "[ . 1 . 2 .]" 1
692 1 21 PHE HB2 1 21 PHE HD2 3.000 . 3.300 3.045 2.986 3.085 . 0 0 "[ . 1 . 2 .]" 1
693 1 21 PHE HD1 1 22 ALA MB 4.000 . 5.400 4.212 4.039 4.304 . 0 0 "[ . 1 . 2 .]" 1
694 1 21 PHE HE2 1 27 ILE MD 4.000 . 5.400 3.306 3.011 4.077 . 0 0 "[ . 1 . 2 .]" 1
695 1 21 PHE HD2 1 27 ILE HA 4.000 . 5.000 3.107 2.498 3.674 . 0 0 "[ . 1 . 2 .]" 1
696 1 21 PHE HD2 1 28 VAL MG2 4.000 . 5.400 4.598 4.150 5.336 . 0 0 "[ . 1 . 2 .]" 1
697 1 21 PHE HZ 1 34 LEU HB3 2.500 . 2.700 1.919 1.784 2.339 0.016 23 0 "[ . 1 . 2 .]" 1
698 1 21 PHE HZ 1 34 LEU MD2 3.000 . 4.800 3.218 2.174 4.343 . 0 0 "[ . 1 . 2 .]" 1
699 1 21 PHE HD2 1 34 LEU HB3 4.000 . 5.000 5.002 4.799 5.166 0.166 17 0 "[ . 1 . 2 .]" 1
700 1 21 PHE HD2 1 36 HIS HD2 4.000 . 5.000 3.093 2.758 3.235 . 0 0 "[ . 1 . 2 .]" 1
701 1 28 VAL MG2 1 35 TYR HD1 4.000 . 5.400 4.793 3.869 5.342 . 0 0 "[ . 1 . 2 .]" 1
702 1 28 VAL MG2 1 40 PHE HE1 3.000 . 3.700 2.978 2.150 3.359 . 0 0 "[ . 1 . 2 .]" 1
703 1 29 ASN HB2 1 35 TYR HD1 4.000 . 5.000 5.022 4.759 5.338 0.338 18 0 "[ . 1 . 2 .]" 1
704 1 29 ASN HB2 1 35 TYR HE1 4.000 . 5.000 5.134 4.737 5.265 0.265 7 0 "[ . 1 . 2 .]" 1
705 1 30 SER HA 1 35 TYR HE1 4.000 . 5.000 4.167 3.761 4.772 . 0 0 "[ . 1 . 2 .]" 1
706 1 35 TYR HE2 1 61 LYS HE3 4.000 . 5.700 4.129 2.418 5.770 0.070 9 0 "[ . 1 . 2 .]" 1
707 1 35 TYR HE2 1 61 LYS HB3 4.000 . 5.000 2.699 2.153 3.204 . 0 0 "[ . 1 . 2 .]" 1
708 1 35 TYR HD2 1 61 LYS HB3 4.000 . 5.000 4.736 4.011 5.181 0.181 4 0 "[ . 1 . 2 .]" 1
709 1 35 TYR HE2 1 61 LYS HG2 4.000 . 5.700 4.588 2.115 5.561 . 0 0 "[ . 1 . 2 .]" 1
710 1 35 TYR HE2 1 61 LYS HD2 3.000 . 3.300 3.243 2.419 3.417 0.117 1 0 "[ . 1 . 2 .]" 1
711 1 35 TYR HE2 1 61 LYS HG3 4.000 . 5.700 4.586 2.449 5.702 0.002 2 0 "[ . 1 . 2 .]" 1
712 1 36 HIS HA 1 36 HIS HD2 3.000 . 3.300 2.871 2.753 2.940 . 0 0 "[ . 1 . 2 .]" 1
713 1 40 PHE HA 1 40 PHE HE1 4.000 . 5.000 4.948 4.353 5.116 0.116 1 0 "[ . 1 . 2 .]" 1
714 1 40 PHE HE2 1 53 LEU HA 4.000 . 5.000 2.578 1.951 3.282 . 0 0 "[ . 1 . 2 .]" 1
715 1 40 PHE HB2 1 54 PHE HE2 4.000 . 5.000 4.273 3.860 4.887 . 0 0 "[ . 1 . 2 .]" 1
716 1 42 CYS HA 1 54 PHE HE2 4.000 . 5.000 3.676 2.830 4.302 . 0 0 "[ . 1 . 2 .]" 1
717 1 44 GLN QB 1 62 TYR HD1 4.000 . 5.700 4.034 3.735 4.488 . 0 0 "[ . 1 . 2 .]" 1
718 1 44 GLN HG3 1 62 TYR HD1 3.000 . 4.000 2.650 2.163 3.418 . 0 0 "[ . 1 . 2 .]" 1
719 1 47 GLN HG3 1 49 PHE HD2 4.000 . 5.700 5.175 3.507 5.916 0.216 16 0 "[ . 1 . 2 .]" 1
720 1 49 PHE HD1 1 50 PRO HD2 4.000 . 5.700 2.698 1.924 4.260 . 0 0 "[ . 1 . 2 .]" 1
721 1 49 PHE HD2 1 54 PHE HB3 4.000 . 5.700 4.258 2.577 4.996 . 0 0 "[ . 1 . 2 .]" 1
722 1 53 LEU MD2 1 55 TYR QD 4.000 . 6.500 5.705 4.994 5.968 . 0 0 "[ . 1 . 2 .]" 1
723 1 54 PHE HB3 1 54 PHE HE2 4.000 . 5.700 4.808 4.685 5.110 . 0 0 "[ . 1 . 2 .]" 1
724 1 54 PHE HB3 1 54 PHE HD1 3.000 . 4.000 3.579 3.120 3.748 . 0 0 "[ . 1 . 2 .]" 1
725 1 54 PHE HD1 1 55 TYR HA 4.000 . 5.000 3.814 3.501 5.047 0.047 10 0 "[ . 1 . 2 .]" 1
726 1 54 PHE HE2 1 61 LYS HG3 4.000 . 5.700 5.383 4.126 5.900 0.200 17 0 "[ . 1 . 2 .]" 1
727 1 54 PHE HE2 1 62 TYR HA 4.000 . 5.000 4.766 3.678 5.177 0.177 20 0 "[ . 1 . 2 .]" 1
728 1 54 PHE HE2 1 63 CYS HB2 4.000 . 5.000 4.406 3.778 5.275 0.275 10 0 "[ . 1 . 2 .]" 1
729 1 55 TYR QD 1 62 TYR HD2 4.000 . 5.000 4.699 3.814 4.983 . 0 0 "[ . 1 . 2 .]" 1
730 1 55 TYR QD 1 67 PHE QE 3.000 . 3.300 3.017 2.701 3.394 0.094 8 0 "[ . 1 . 2 .]" 1
731 1 57 PHE HB2 1 62 TYR HD2 4.000 . 5.700 3.188 2.350 4.034 . 0 0 "[ . 1 . 2 .]" 1
732 1 57 PHE HB3 1 62 TYR HD2 4.000 . 5.700 4.646 3.743 5.406 . 0 0 "[ . 1 . 2 .]" 1
733 1 60 ARG HD3 1 62 TYR QE 4.000 . 5.700 3.795 2.389 4.858 . 0 0 "[ . 1 . 2 .]" 1
734 1 67 PHE HB2 1 67 PHE QE 4.000 . 5.000 4.479 4.446 4.525 . 0 0 "[ . 1 . 2 .]" 1
735 1 11 SER HB2 1 22 ALA MB 4.000 . 6.100 5.095 3.187 6.129 0.029 12 0 "[ . 1 . 2 .]" 1
736 1 12 ALA MB 1 13 THR MG 4.000 . 5.800 4.140 3.762 4.293 . 0 0 "[ . 1 . 2 .]" 1
737 1 12 ALA MB 1 21 PHE HE1 3.000 . 3.700 2.132 1.978 2.460 . 0 0 "[ . 1 . 2 .]" 1
738 1 12 ALA MB 1 21 PHE HD1 4.000 . 5.400 3.066 2.480 3.921 . 0 0 "[ . 1 . 2 .]" 1
739 1 12 ALA MB 1 27 ILE MG 4.000 . 5.800 4.936 4.529 5.419 . 0 0 "[ . 1 . 2 .]" 1
740 1 12 ALA MB 1 34 LEU HB3 4.000 . 5.400 4.654 4.104 5.280 . 0 0 "[ . 1 . 2 .]" 1
741 1 12 ALA MB 1 34 LEU MD2 4.000 . 6.900 3.436 2.156 5.318 . 0 0 "[ . 1 . 2 .]" 1
742 1 13 THR MG 1 14 CYS H 4.000 . 5.400 3.801 3.608 3.933 . 0 0 "[ . 1 . 2 .]" 1
743 1 13 THR MG 1 18 LYS HG2 4.000 . 6.100 5.229 3.978 6.038 . 0 0 "[ . 1 . 2 .]" 1
744 1 13 THR MG 1 18 LYS HG3 4.000 . 6.100 4.749 2.725 5.878 . 0 0 "[ . 1 . 2 .]" 1
745 1 13 THR H 1 21 PHE HD1 4.000 . 5.000 4.851 4.727 5.016 0.016 5 0 "[ . 1 . 2 .]" 1
746 1 14 CYS HB3 1 17 CYS HB3 4.000 . 5.000 3.500 3.164 3.955 . 0 0 "[ . 1 . 2 .]" 1
747 1 14 CYS HB2 1 17 CYS HB3 4.000 . 5.000 4.437 4.254 4.872 . 0 0 "[ . 1 . 2 .]" 1
748 1 14 CYS HB2 1 17 CYS H 4.000 . 5.000 4.135 3.792 4.625 . 0 0 "[ . 1 . 2 .]" 1
749 1 14 CYS HB3 1 21 PHE HE2 4.000 . 5.000 4.106 3.705 4.291 . 0 0 "[ . 1 . 2 .]" 1
750 1 14 CYS HB3 1 21 PHE HD2 4.000 . 5.000 4.964 4.197 5.092 0.092 11 0 "[ . 1 . 2 .]" 1
751 1 14 CYS HB2 1 21 PHE HD2 4.000 . 5.000 3.233 2.862 3.358 . 0 0 "[ . 1 . 2 .]" 1
752 1 14 CYS HB2 1 27 ILE MD 4.000 . 5.400 5.429 5.063 5.619 0.219 17 0 "[ . 1 . 2 .]" 1
753 1 15 GLU QB 1 16 ARG QG 4.000 . 6.400 4.045 2.515 5.441 . 0 0 "[ . 1 . 2 .]" 1
754 1 16 ARG H 1 16 ARG HB2 4.000 . 5.700 3.199 2.383 3.683 . 0 0 "[ . 1 . 2 .]" 1
755 1 16 ARG HB2 1 16 ARG QD 3.000 . 4.700 2.772 1.920 3.629 . 0 0 "[ . 1 . 2 .]" 1
756 1 16 ARG QD 1 17 CYS HB3 4.000 . 5.700 4.285 2.296 5.780 0.080 13 0 "[ . 1 . 2 .]" 1
757 1 16 ARG HB3 1 17 CYS H 4.000 . 5.700 3.817 2.383 4.640 . 0 0 "[ . 1 . 2 .]" 1
758 1 16 ARG QG 1 17 CYS H 4.000 . 5.700 3.056 1.841 4.607 . 0 0 "[ . 1 . 2 .]" 1
759 1 16 ARG HB3 1 35 TYR HD2 4.000 . 5.700 5.275 4.065 5.912 0.212 7 0 "[ . 1 . 2 .]" 1
760 1 16 ARG QD 1 36 HIS QB 4.000 . 6.400 5.488 4.306 6.494 0.094 19 0 "[ . 1 . 2 .]" 1
761 1 16 ARG HB2 1 39 CYS HB3 4.000 . 5.700 3.761 2.241 4.748 . 0 0 "[ . 1 . 2 .]" 1
762 1 16 ARG HB3 1 39 CYS HB3 4.000 . 5.700 3.846 2.431 4.500 . 0 0 "[ . 1 . 2 .]" 1
763 1 16 ARG QD 1 39 CYS HB2 4.000 . 5.700 4.166 2.604 5.722 0.022 16 0 "[ . 1 . 2 .]" 1
764 1 16 ARG HB3 1 39 CYS HB2 4.000 . 5.700 5.469 4.191 6.057 0.357 1 0 "[ . 1 . 2 .]" 1
765 1 16 ARG QD 1 39 CYS HB3 4.000 . 5.700 3.045 1.827 4.202 . 0 0 "[ . 1 . 2 .]" 1
766 1 16 ARG QD 1 41 VAL MG1 4.000 . 7.200 3.124 1.998 4.691 . 0 0 "[ . 1 . 2 .]" 1
767 1 16 ARG QD 1 48 GLN HB2 4.000 . 5.700 5.452 4.456 6.021 0.321 7 0 "[ . 1 . 2 .]" 1
768 1 16 ARG HB2 1 48 GLN HB3 4.000 . 5.700 5.697 4.664 5.867 0.167 17 0 "[ . 1 . 2 .]" 1
769 1 17 CYS HB2 1 39 CYS HB3 4.000 . 5.000 5.070 4.849 5.141 0.141 24 0 "[ . 1 . 2 .]" 1
770 1 17 CYS HB3 1 39 CYS HB3 4.000 . 5.000 3.377 3.300 3.436 . 0 0 "[ . 1 . 2 .]" 1
771 1 18 LYS HE2 1 18 LYS HG3 4.000 . 6.400 3.116 2.234 3.805 . 0 0 "[ . 1 . 2 .]" 1
772 1 18 LYS HE2 1 18 LYS HG2 4.000 . 6.400 3.347 2.280 4.128 . 0 0 "[ . 1 . 2 .]" 1
773 1 18 LYS HE3 1 18 LYS HG2 4.000 . 6.400 3.197 2.343 4.248 . 0 0 "[ . 1 . 2 .]" 1
774 1 18 LYS HD2 1 18 LYS HE3 3.000 . 4.000 2.696 2.254 3.042 . 0 0 "[ . 1 . 2 .]" 1
775 1 18 LYS HD2 1 18 LYS HG2 3.000 . 4.000 2.911 2.563 3.038 . 0 0 "[ . 1 . 2 .]" 1
776 1 18 LYS HD3 1 18 LYS HG2 2.500 . 3.400 2.464 2.270 2.880 . 0 0 "[ . 1 . 2 .]" 1
777 1 18 LYS HB3 1 18 LYS HD3 4.000 . 5.000 3.397 2.632 3.854 . 0 0 "[ . 1 . 2 .]" 1
778 1 18 LYS HB2 1 18 LYS HG2 3.000 . 4.000 2.597 2.533 2.749 . 0 0 "[ . 1 . 2 .]" 1
779 1 21 PHE H 1 21 PHE HE1 4.000 . 5.000 3.480 3.429 3.586 . 0 0 "[ . 1 . 2 .]" 1
780 1 21 PHE HB3 1 21 PHE HD2 3.000 . 3.300 2.480 2.457 2.518 . 0 0 "[ . 1 . 2 .]" 1
781 1 21 PHE HB3 1 27 ILE MD 4.000 . 5.400 4.563 4.156 5.067 . 0 0 "[ . 1 . 2 .]" 1
782 1 21 PHE HB2 1 27 ILE MD 4.000 . 5.400 3.707 3.254 4.290 . 0 0 "[ . 1 . 2 .]" 1
783 1 21 PHE HD2 1 27 ILE MD 4.000 . 5.400 3.603 3.317 4.329 . 0 0 "[ . 1 . 2 .]" 1
784 1 21 PHE HE1 1 34 LEU MD2 4.000 . 6.500 3.806 2.228 5.084 . 0 0 "[ . 1 . 2 .]" 1
785 1 22 ALA MB 1 23 PRO HB3 4.000 . 6.100 4.568 4.488 4.637 . 0 0 "[ . 1 . 2 .]" 1
786 1 22 ALA MB 1 23 PRO HG3 4.000 . 6.100 3.736 3.652 3.846 . 0 0 "[ . 1 . 2 .]" 1
787 1 22 ALA MB 1 23 PRO HD2 4.000 . 6.100 2.712 2.673 2.819 . 0 0 "[ . 1 . 2 .]" 1
788 1 22 ALA MB 1 23 PRO HD3 2.500 . 3.800 1.899 1.847 1.988 . 0 0 "[ . 1 . 2 .]" 1
789 1 23 PRO HB3 1 23 PRO HG3 2.500 . 4.100 2.277 2.274 2.279 . 0 0 "[ . 1 . 2 .]" 1
790 1 23 PRO HB2 1 23 PRO HG3 3.000 . 4.700 2.900 2.886 2.913 . 0 0 "[ . 1 . 2 .]" 1
791 1 23 PRO HA 1 23 PRO HD3 4.000 . 5.700 3.608 3.553 3.663 . 0 0 "[ . 1 . 2 .]" 1
792 1 23 PRO HA 1 23 PRO HB3 2.500 . 3.400 2.268 2.257 2.271 . 0 0 "[ . 1 . 2 .]" 1
793 1 23 PRO HA 1 23 PRO HG3 4.000 . 5.700 3.618 3.578 3.681 . 0 0 "[ . 1 . 2 .]" 1
794 1 23 PRO HB3 1 23 PRO HD3 4.000 . 6.400 3.693 3.660 3.729 . 0 0 "[ . 1 . 2 .]" 1
795 1 23 PRO HB2 1 23 PRO HD2 3.000 . 4.700 3.653 3.610 3.686 . 0 0 "[ . 1 . 2 .]" 1
796 1 23 PRO HB2 1 23 PRO HD3 4.000 . 6.400 4.075 4.067 4.083 . 0 0 "[ . 1 . 2 .]" 1
797 1 23 PRO HB3 1 23 PRO HD2 4.000 . 6.400 4.080 4.073 4.085 . 0 0 "[ . 1 . 2 .]" 1
798 1 23 PRO HD2 1 23 PRO HG3 3.000 . 4.700 2.881 2.874 2.894 . 0 0 "[ . 1 . 2 .]" 1
799 1 23 PRO HD3 1 23 PRO HG2 2.500 . 4.100 2.883 2.869 2.890 . 0 0 "[ . 1 . 2 .]" 1
800 1 23 PRO HA 1 23 PRO HG2 4.000 . 5.700 4.067 4.052 4.079 . 0 0 "[ . 1 . 2 .]" 1
801 1 23 PRO HD2 1 23 PRO HG2 3.000 . 4.700 2.275 2.271 2.278 . 0 0 "[ . 1 . 2 .]" 1
802 1 23 PRO HB2 1 23 PRO HG2 2.500 . 4.100 2.285 2.283 2.287 . 0 0 "[ . 1 . 2 .]" 1
803 1 23 PRO HB2 1 24 ALA H 4.000 . 5.700 3.242 1.688 3.626 0.112 10 0 "[ . 1 . 2 .]" 1
804 1 23 PRO HB2 1 26 LYS QB 4.000 . 6.400 3.715 3.274 4.478 . 0 0 "[ . 1 . 2 .]" 1
805 1 23 PRO HG3 1 26 LYS QB 4.000 . 6.400 4.323 4.102 4.771 . 0 0 "[ . 1 . 2 .]" 1
806 1 25 GLU HB3 1 25 GLU HG3 3.000 . 4.700 2.704 2.480 3.005 . 0 0 "[ . 1 . 2 .]" 1
807 1 25 GLU HB2 1 25 GLU HG2 3.000 . 4.700 2.705 2.478 3.007 . 0 0 "[ . 1 . 2 .]" 1
808 1 25 GLU HB3 1 26 LYS HG2 4.000 . 6.400 3.974 2.523 5.916 . 0 0 "[ . 1 . 2 .]" 1
809 1 25 GLU HB2 1 37 GLU HG2 4.000 . 6.400 5.694 4.602 6.528 0.128 17 0 "[ . 1 . 2 .]" 1
810 1 25 GLU HG2 1 37 GLU HG2 4.000 . 6.400 5.630 3.791 6.517 0.117 15 0 "[ . 1 . 2 .]" 1
811 1 26 LYS QB 1 26 LYS QD 3.000 . 4.000 2.172 2.065 2.350 . 0 0 "[ . 1 . 2 .]" 1
812 1 26 LYS QB 1 37 GLU HG3 4.000 . 6.400 5.552 4.386 6.414 0.014 24 0 "[ . 1 . 2 .]" 1
813 1 26 LYS QB 1 37 GLU HG2 4.000 . 6.400 5.287 3.166 6.070 . 0 0 "[ . 1 . 2 .]" 1
814 1 27 ILE HG13 1 27 ILE MG 3.000 . 4.400 2.402 2.264 3.170 . 0 0 "[ . 1 . 2 .]" 1
815 1 27 ILE HB 1 27 ILE HG12 3.000 . 4.000 2.526 2.416 3.019 . 0 0 "[ . 1 . 2 .]" 1
816 1 27 ILE MG 1 28 VAL H 3.000 . 3.700 3.119 2.875 3.580 . 0 0 "[ . 1 . 2 .]" 1
817 1 27 ILE MG 1 28 VAL HB 4.000 . 5.400 5.165 5.019 5.512 0.112 14 0 "[ . 1 . 2 .]" 1
818 1 27 ILE MG 1 28 VAL MG2 4.000 . 5.800 3.931 3.761 4.086 . 0 0 "[ . 1 . 2 .]" 1
819 1 27 ILE MG 1 29 ASN HB2 4.000 . 5.400 4.160 3.556 4.920 . 0 0 "[ . 1 . 2 .]" 1
820 1 27 ILE MD 1 34 LEU HB2 4.000 . 5.400 4.069 3.399 4.411 . 0 0 "[ . 1 . 2 .]" 1
821 1 27 ILE MD 1 34 LEU MD2 4.000 . 6.900 3.182 1.964 4.597 . 0 0 "[ . 1 . 2 .]" 1
822 1 27 ILE MD 1 34 LEU HB3 4.000 . 5.400 2.885 2.221 3.286 . 0 0 "[ . 1 . 2 .]" 1
823 1 27 ILE MG 1 34 LEU HB3 4.000 . 5.400 5.049 4.241 5.440 0.040 20 0 "[ . 1 . 2 .]" 1
824 1 27 ILE MG 1 34 LEU MD1 2.500 . 4.600 3.999 2.185 4.656 0.056 7 0 "[ . 1 . 2 .]" 1
825 1 27 ILE MD 1 34 LEU MD1 4.000 . 6.900 2.850 1.775 3.846 0.025 17 0 "[ . 1 . 2 .]" 1
826 1 27 ILE MG 1 34 LEU MD2 4.000 . 6.900 4.883 3.738 6.521 . 0 0 "[ . 1 . 2 .]" 1
827 1 27 ILE HG12 1 34 LEU HB3 4.000 . 5.700 5.151 2.885 5.770 0.070 10 0 "[ . 1 . 2 .]" 1
828 1 27 ILE MG 1 35 TYR H 4.000 . 5.400 5.150 4.593 5.409 0.009 14 0 "[ . 1 . 2 .]" 1
829 1 28 VAL H 1 28 VAL MG1 4.000 . 5.400 3.988 3.938 4.018 . 0 0 "[ . 1 . 2 .]" 1
830 1 28 VAL H 1 28 VAL MG2 3.000 . 3.700 2.583 2.483 2.713 . 0 0 "[ . 1 . 2 .]" 1
831 1 28 VAL HB 1 30 SER HB3 4.000 . 5.000 5.127 4.881 5.337 0.337 3 0 "[ . 1 . 2 .]" 1
832 1 28 VAL MG1 1 30 SER HB3 4.000 . 5.400 3.680 3.302 4.060 . 0 0 "[ . 1 . 2 .]" 1
833 1 28 VAL HB 1 35 TYR HB2 3.000 . 3.300 2.823 2.462 3.295 . 0 0 "[ . 1 . 2 .]" 1
834 1 28 VAL MG1 1 35 TYR HB3 4.000 . 5.400 5.290 4.820 5.601 0.201 18 0 "[ . 1 . 2 .]" 1
835 1 28 VAL MG1 1 35 TYR HD1 4.000 . 5.400 3.878 3.173 4.445 . 0 0 "[ . 1 . 2 .]" 1
836 1 28 VAL MG2 1 35 TYR HB2 4.000 . 5.400 3.934 3.308 4.225 . 0 0 "[ . 1 . 2 .]" 1
837 1 28 VAL MG2 1 35 TYR HB3 4.000 . 5.400 5.089 4.701 5.444 0.044 18 0 "[ . 1 . 2 .]" 1
838 1 28 VAL MG2 1 37 GLU HG3 4.000 . 6.100 3.974 2.318 5.697 . 0 0 "[ . 1 . 2 .]" 1
839 1 28 VAL MG2 1 37 GLU QB 4.000 . 6.100 3.390 2.746 4.151 . 0 0 "[ . 1 . 2 .]" 1
840 1 28 VAL MG2 1 37 GLU HG2 4.000 . 6.100 3.830 2.583 4.982 . 0 0 "[ . 1 . 2 .]" 1
841 1 28 VAL MG1 1 40 PHE HE1 4.000 . 5.400 2.796 2.275 3.292 . 0 0 "[ . 1 . 2 .]" 1
842 1 28 VAL MG2 1 40 PHE HD1 4.000 . 5.400 4.733 4.074 5.324 . 0 0 "[ . 1 . 2 .]" 1
843 1 28 VAL MG1 1 40 PHE HD1 4.000 . 5.400 4.854 4.334 5.334 . 0 0 "[ . 1 . 2 .]" 1
844 1 29 ASN HB2 1 29 ASN HD22 4.000 . 5.000 3.866 3.612 4.122 . 0 0 "[ . 1 . 2 .]" 1
845 1 29 ASN HB3 1 34 LEU MD1 4.000 . 6.500 3.512 3.136 4.926 . 0 0 "[ . 1 . 2 .]" 1
846 1 29 ASN HB2 1 34 LEU MD1 3.000 . 4.800 2.110 1.868 3.477 . 0 0 "[ . 1 . 2 .]" 1
847 1 29 ASN HD21 1 34 LEU MD1 4.000 . 6.500 3.602 1.874 6.250 . 0 0 "[ . 1 . 2 .]" 1
848 1 29 ASN HB2 1 35 TYR H 4.000 . 5.000 4.732 4.438 4.876 . 0 0 "[ . 1 . 2 .]" 1
849 1 30 SER HB3 1 35 TYR HE1 3.000 . 3.300 3.062 1.999 3.451 0.151 23 0 "[ . 1 . 2 .]" 1
850 1 30 SER HB2 1 35 TYR HE1 4.000 . 5.000 4.222 3.486 5.003 0.003 23 0 "[ . 1 . 2 .]" 1
851 1 31 ASN HB3 1 57 PHE H 4.000 . 5.700 4.411 3.506 5.653 . 0 0 "[ . 1 . 2 .]" 1
852 1 31 ASN HB3 1 57 PHE HB2 4.000 . 6.400 5.810 5.239 6.576 0.176 4 0 "[ . 1 . 2 .]" 1
853 1 33 GLU HB3 1 33 GLU HG3 3.000 . 4.000 2.989 2.844 3.035 . 0 0 "[ . 1 . 2 .]" 1
854 1 33 GLU HB3 1 33 GLU HG2 3.000 . 4.000 2.362 2.247 2.523 . 0 0 "[ . 1 . 2 .]" 1
855 1 33 GLU HB2 1 33 GLU HG3 2.500 . 3.400 2.615 2.411 2.879 . 0 0 "[ . 1 . 2 .]" 1
856 1 33 GLU HB2 1 33 GLU HG2 3.000 . 4.000 2.990 2.842 3.036 . 0 0 "[ . 1 . 2 .]" 1
857 1 33 GLU H 1 33 GLU HB3 4.000 . 5.000 3.500 3.156 3.769 . 0 0 "[ . 1 . 2 .]" 1
858 1 33 GLU HB3 1 34 LEU HB2 4.000 . 5.000 4.865 4.055 5.084 0.084 16 0 "[ . 1 . 2 .]" 1
859 1 33 GLU H 1 34 LEU MD1 4.000 . 6.500 4.687 3.679 6.586 0.086 17 0 "[ . 1 . 2 .]" 1
860 1 33 GLU HB2 1 35 TYR HE1 4.000 . 5.000 3.557 2.529 4.994 . 0 0 "[ . 1 . 2 .]" 1
861 1 33 GLU HB3 1 35 TYR HE1 4.000 . 5.000 3.598 2.916 4.990 . 0 0 "[ . 1 . 2 .]" 1
862 1 34 LEU HB2 1 34 LEU HG 3.000 . 3.300 2.710 2.346 3.035 . 0 0 "[ . 1 . 2 .]" 1
863 1 34 LEU HB3 1 34 LEU MD1 3.000 . 4.800 2.700 2.236 3.201 . 0 0 "[ . 1 . 2 .]" 1
864 1 34 LEU HB3 1 34 LEU MD2 2.500 . 4.200 2.832 2.407 3.201 . 0 0 "[ . 1 . 2 .]" 1
865 1 34 LEU HB2 1 34 LEU MD2 3.000 . 4.800 2.313 2.140 3.186 . 0 0 "[ . 1 . 2 .]" 1
866 1 34 LEU H 1 34 LEU HG 4.000 . 5.000 4.195 2.574 4.613 . 0 0 "[ . 1 . 2 .]" 1
867 1 34 LEU H 1 34 LEU MD1 3.000 . 4.800 3.334 2.700 4.215 . 0 0 "[ . 1 . 2 .]" 1
868 1 34 LEU MD1 1 35 TYR H 4.000 . 6.500 3.786 2.798 4.776 . 0 0 "[ . 1 . 2 .]" 1
869 1 35 TYR HB3 1 35 TYR HE2 4.000 . 5.000 4.650 4.634 4.686 . 0 0 "[ . 1 . 2 .]" 1
870 1 35 TYR HB2 1 35 TYR HE1 4.000 . 5.000 4.851 4.751 4.951 . 0 0 "[ . 1 . 2 .]" 1
871 1 35 TYR HB2 1 35 TYR HD1 3.000 . 3.300 2.736 2.547 2.914 . 0 0 "[ . 1 . 2 .]" 1
872 1 35 TYR HB3 1 35 TYR HD2 3.000 . 3.300 2.324 2.303 2.385 . 0 0 "[ . 1 . 2 .]" 1
873 1 35 TYR HD2 1 39 CYS HB3 4.000 . 5.000 4.809 4.412 5.100 0.100 11 0 "[ . 1 . 2 .]" 1
874 1 35 TYR HB2 1 39 CYS H 4.000 . 5.000 4.747 4.089 5.065 0.065 23 0 "[ . 1 . 2 .]" 1
875 1 35 TYR HB3 1 40 PHE HD1 4.000 . 5.000 3.070 2.242 3.544 . 0 0 "[ . 1 . 2 .]" 1
876 1 35 TYR HB3 1 40 PHE HB3 4.000 . 5.000 5.186 4.940 5.290 0.290 2 0 "[ . 1 . 2 .]" 1
877 1 35 TYR HD2 1 41 VAL H 4.000 . 5.000 3.531 2.656 4.072 . 0 0 "[ . 1 . 2 .]" 1
878 1 35 TYR HE2 1 41 VAL H 4.000 . 5.000 4.643 3.881 5.020 0.020 1 0 "[ . 1 . 2 .]" 1
879 1 35 TYR HE2 1 56 GLU HG2 4.000 . 5.700 5.154 3.484 5.857 0.157 3 0 "[ . 1 . 2 .]" 1
880 1 35 TYR HE2 1 61 LYS HB2 4.000 . 5.000 3.425 2.603 4.115 . 0 0 "[ . 1 . 2 .]" 1
881 1 36 HIS QB 1 38 GLN QG 4.000 . 6.400 4.685 2.443 5.446 . 0 0 "[ . 1 . 2 .]" 1
882 1 36 HIS QB 1 39 CYS HB2 4.000 . 5.700 2.166 1.970 2.438 . 0 0 "[ . 1 . 2 .]" 1
883 1 36 HIS QB 1 39 CYS HB3 4.000 . 5.700 3.436 3.249 3.609 . 0 0 "[ . 1 . 2 .]" 1
884 1 38 GLN HE21 1 38 GLN QG 2.500 . 3.400 2.384 2.210 2.813 . 0 0 "[ . 1 . 2 .]" 1
885 1 38 GLN H 1 38 GLN HB2 4.000 . 5.700 3.066 2.669 3.960 . 0 0 "[ . 1 . 2 .]" 1
886 1 38 GLN H 1 38 GLN QG 4.000 . 5.700 3.636 2.290 4.287 . 0 0 "[ . 1 . 2 .]" 1
887 1 38 GLN QG 1 50 PRO HB2 4.000 . 5.700 3.933 3.042 5.625 . 0 0 "[ . 1 . 2 .]" 1
888 1 38 GLN QG 1 50 PRO HD3 4.000 . 6.400 4.440 2.875 6.020 . 0 0 "[ . 1 . 2 .]" 1
889 1 38 GLN QG 1 50 PRO HB3 3.000 . 4.000 2.663 2.122 4.126 0.126 19 0 "[ . 1 . 2 .]" 1
890 1 38 GLN H 1 50 PRO HA 4.000 . 5.000 4.774 3.977 5.052 0.052 17 0 "[ . 1 . 2 .]" 1
891 1 38 GLN QG 1 50 PRO HA 4.000 . 5.700 2.428 2.002 4.885 . 0 0 "[ . 1 . 2 .]" 1
892 1 38 GLN QG 1 50 PRO HG3 3.000 . 4.700 4.029 2.813 4.806 0.106 12 0 "[ . 1 . 2 .]" 1
893 1 38 GLN QG 1 50 PRO HG2 4.000 . 6.400 4.963 4.069 6.161 . 0 0 "[ . 1 . 2 .]" 1
894 1 39 CYS H 1 40 PHE HB3 4.000 . 5.000 5.201 5.148 5.270 0.270 10 0 "[ . 1 . 2 .]" 1
895 1 40 PHE HB2 1 40 PHE HD2 3.000 . 3.300 3.419 2.622 3.563 0.263 8 0 "[ . 1 . 2 .]" 1
896 1 40 PHE H 1 41 VAL MG2 4.000 . 6.500 4.843 4.545 5.309 . 0 0 "[ . 1 . 2 .]" 1
897 1 40 PHE HD2 1 56 GLU HB3 4.000 . 5.700 3.570 2.223 5.793 0.093 10 0 "[ . 1 . 2 .]" 1
898 1 40 PHE HB3 1 63 CYS HB3 4.000 . 5.000 5.142 5.014 5.298 0.298 22 0 "[ . 1 . 2 .]" 1
899 1 41 VAL HB 1 42 CYS HB2 4.000 . 5.000 5.044 4.848 5.171 0.171 18 0 "[ . 1 . 2 .]" 1
900 1 41 VAL MG1 1 46 PHE HB3 4.000 . 7.200 3.458 3.201 3.966 . 0 0 "[ . 1 . 2 .]" 1
901 1 41 VAL MG2 1 48 GLN QG 4.000 . 7.200 5.159 4.214 5.915 . 0 0 "[ . 1 . 2 .]" 1
902 1 41 VAL MG2 1 48 GLN HB3 4.000 . 6.500 4.151 3.803 4.656 . 0 0 "[ . 1 . 2 .]" 1
903 1 41 VAL MG2 1 48 GLN H 4.000 . 6.500 5.463 4.959 5.974 . 0 0 "[ . 1 . 2 .]" 1
904 1 42 CYS HB2 1 43 ALA H 4.000 . 5.000 4.382 4.237 4.476 . 0 0 "[ . 1 . 2 .]" 1
905 1 42 CYS HB3 1 45 CYS HB3 4.000 . 5.700 3.884 3.735 4.112 . 0 0 "[ . 1 . 2 .]" 1
906 1 42 CYS HB3 1 45 CYS H 4.000 . 5.000 2.565 2.307 2.807 . 0 0 "[ . 1 . 2 .]" 1
907 1 42 CYS HB3 1 47 GLN QB 4.000 . 5.700 3.570 3.017 4.219 . 0 0 "[ . 1 . 2 .]" 1
908 1 42 CYS HB2 1 47 GLN QB 4.000 . 5.700 3.342 2.511 4.332 . 0 0 "[ . 1 . 2 .]" 1
909 1 42 CYS HB2 1 47 GLN H 4.000 . 5.000 3.138 2.733 3.686 . 0 0 "[ . 1 . 2 .]" 1
910 1 42 CYS HB2 1 62 TYR HD1 4.000 . 5.000 5.117 5.050 5.181 0.181 22 0 "[ . 1 . 2 .]" 1
911 1 42 CYS HB2 1 63 CYS HB2 4.000 . 5.000 4.219 3.925 4.533 . 0 0 "[ . 1 . 2 .]" 1
912 1 43 ALA MB 1 44 GLN QB 4.000 . 6.100 4.450 4.355 4.558 . 0 0 "[ . 1 . 2 .]" 1
913 1 43 ALA MB 1 44 GLN H 3.000 . 3.700 3.151 2.997 3.255 . 0 0 "[ . 1 . 2 .]" 1
914 1 43 ALA MB 1 60 ARG HD3 4.000 . 6.100 4.884 2.046 6.243 0.143 21 0 "[ . 1 . 2 .]" 1
915 1 43 ALA MB 1 60 ARG HB3 2.500 . 3.800 3.545 2.961 3.886 0.086 20 0 "[ . 1 . 2 .]" 1
916 1 43 ALA MB 1 60 ARG HG3 4.000 . 6.100 5.130 3.590 6.083 . 0 0 "[ . 1 . 2 .]" 1
917 1 43 ALA MB 1 60 ARG HD2 4.000 . 6.100 4.882 2.883 6.115 0.015 18 0 "[ . 1 . 2 .]" 1
918 1 43 ALA MB 1 60 ARG HB2 4.000 . 6.100 4.686 2.877 5.113 . 0 0 "[ . 1 . 2 .]" 1
919 1 43 ALA MB 1 61 LYS H 3.000 . 3.700 2.413 2.027 2.785 . 0 0 "[ . 1 . 2 .]" 1
920 1 43 ALA MB 1 62 TYR HD1 4.000 . 5.400 3.368 2.793 4.045 . 0 0 "[ . 1 . 2 .]" 1
921 1 43 ALA MB 1 62 TYR QE 4.000 . 5.400 2.659 2.160 3.576 . 0 0 "[ . 1 . 2 .]" 1
922 1 44 GLN H 1 44 GLN QB 3.000 . 4.000 2.654 2.523 2.849 . 0 0 "[ . 1 . 2 .]" 1
923 1 44 GLN HE22 1 44 GLN HG3 4.000 . 5.700 3.561 3.508 3.916 . 0 0 "[ . 1 . 2 .]" 1
924 1 44 GLN HG2 1 62 TYR HD1 4.000 . 5.700 3.951 2.668 4.500 . 0 0 "[ . 1 . 2 .]" 1
925 1 44 GLN HE21 1 62 TYR HD1 3.000 . 3.300 2.949 2.037 3.455 0.155 17 0 "[ . 1 . 2 .]" 1
926 1 44 GLN QB 1 62 TYR QE 4.000 . 5.700 4.279 4.004 4.660 . 0 0 "[ . 1 . 2 .]" 1
927 1 44 GLN HG2 1 66 ASP HB3 4.000 . 5.700 5.545 4.407 5.778 0.078 17 0 "[ . 1 . 2 .]" 1
928 1 44 GLN HG3 1 66 ASP HB3 4.000 . 5.700 4.298 3.389 5.577 . 0 0 "[ . 1 . 2 .]" 1
929 1 44 GLN QB 1 66 ASP HB3 4.000 . 5.700 4.696 4.206 5.301 . 0 0 "[ . 1 . 2 .]" 1
930 1 45 CYS HB3 1 65 HIS HB3 4.000 . 6.400 5.136 4.867 5.504 . 0 0 "[ . 1 . 2 .]" 1
931 1 47 GLN QB 1 65 HIS HB2 4.000 . 6.400 4.988 4.471 5.633 . 0 0 "[ . 1 . 2 .]" 1
932 1 49 PHE HB2 1 49 PHE HD2 3.000 . 3.300 2.465 2.314 3.354 0.054 16 0 "[ . 1 . 2 .]" 1
933 1 49 PHE HB3 1 63 CYS HB2 4.000 . 5.000 5.043 4.512 5.279 0.279 2 0 "[ . 1 . 2 .]" 1
934 1 50 PRO HB2 1 50 PRO HD2 4.000 . 5.700 3.687 3.583 3.722 . 0 0 "[ . 1 . 2 .]" 1
935 1 50 PRO HA 1 50 PRO HB3 2.500 . 2.700 2.263 2.255 2.268 . 0 0 "[ . 1 . 2 .]" 1
936 1 50 PRO HA 1 50 PRO HB2 2.500 . 2.700 2.862 2.848 2.895 0.195 19 0 "[ . 1 . 2 .]" 1
937 1 50 PRO HD3 1 50 PRO HG3 3.000 . 4.700 2.274 2.271 2.277 . 0 0 "[ . 1 . 2 .]" 1
938 1 50 PRO HD3 1 50 PRO HG2 3.000 . 4.700 2.889 2.861 2.896 . 0 0 "[ . 1 . 2 .]" 1
939 1 50 PRO HD2 1 50 PRO HG3 3.000 . 4.700 2.881 2.874 2.910 . 0 0 "[ . 1 . 2 .]" 1
940 1 50 PRO HD2 1 50 PRO HG2 2.500 . 4.100 2.279 2.277 2.282 . 0 0 "[ . 1 . 2 .]" 1
941 1 50 PRO HB2 1 51 GLU HB2 4.000 . 5.700 4.946 3.301 5.899 0.199 12 0 "[ . 1 . 2 .]" 1
942 1 53 LEU QB 1 53 LEU MD2 2.500 . 4.900 2.170 2.046 2.454 . 0 0 "[ . 1 . 2 .]" 1
943 1 53 LEU QB 1 53 LEU MD1 3.000 . 5.500 2.098 2.048 2.109 . 0 0 "[ . 1 . 2 .]" 1
944 1 53 LEU MD1 1 54 PHE H 4.000 . 6.500 4.784 2.330 5.570 . 0 0 "[ . 1 . 2 .]" 1
945 1 53 LEU MD2 1 54 PHE H 4.000 . 6.500 3.025 1.974 3.908 . 0 0 "[ . 1 . 2 .]" 1
946 1 54 PHE HB3 1 54 PHE HD2 3.000 . 4.000 2.624 2.390 3.169 . 0 0 "[ . 1 . 2 .]" 1
947 1 54 PHE HB2 1 54 PHE HD2 3.000 . 4.000 2.840 2.362 3.183 . 0 0 "[ . 1 . 2 .]" 1
948 1 54 PHE HB2 1 55 TYR HB2 4.000 . 5.700 3.614 3.374 4.525 . 0 0 "[ . 1 . 2 .]" 1
949 1 54 PHE HE1 1 56 GLU HB3 4.000 . 5.700 2.244 1.792 3.807 0.008 13 0 "[ . 1 . 2 .]" 1
950 1 54 PHE HE1 1 56 GLU HG3 4.000 . 5.700 3.817 2.074 4.816 . 0 0 "[ . 1 . 2 .]" 1
951 1 54 PHE HE2 1 61 LYS HE2 4.000 . 5.700 5.151 4.417 5.614 . 0 0 "[ . 1 . 2 .]" 1
952 1 54 PHE HE2 1 61 LYS HE3 4.000 . 5.700 5.313 4.067 5.931 0.231 17 0 "[ . 1 . 2 .]" 1
953 1 55 TYR HB2 1 55 TYR QD 3.000 . 3.300 2.347 2.310 2.721 . 0 0 "[ . 1 . 2 .]" 1
954 1 55 TYR HE1 1 57 PHE QD 4.000 . 5.000 4.915 2.365 5.090 0.090 2 0 "[ . 1 . 2 .]" 1
955 1 55 TYR QD 1 67 PHE QD 4.000 . 5.000 3.202 2.582 3.419 . 0 0 "[ . 1 . 2 .]" 1
956 1 55 TYR HB2 1 67 PHE H 4.000 . 5.000 4.688 4.228 5.071 0.071 8 0 "[ . 1 . 2 .]" 1
957 1 56 GLU HB3 1 56 GLU HG2 2.500 . 4.100 2.662 2.223 3.036 . 0 0 "[ . 1 . 2 .]" 1
958 1 56 GLU HB3 1 56 GLU HG3 3.000 . 4.700 2.670 2.411 3.034 . 0 0 "[ . 1 . 2 .]" 1
959 1 57 PHE HB3 1 57 PHE QD 3.000 . 4.000 2.409 2.298 2.588 . 0 0 "[ . 1 . 2 .]" 1
960 1 57 PHE H 1 57 PHE HB2 3.000 . 4.000 2.790 2.550 2.920 . 0 0 "[ . 1 . 2 .]" 1
961 1 57 PHE HB3 1 62 TYR QE 4.000 . 5.700 3.988 2.854 4.976 . 0 0 "[ . 1 . 2 .]" 1
962 1 58 GLU HB2 1 58 GLU HG2 3.000 . 4.700 2.833 2.433 3.036 . 0 0 "[ . 1 . 2 .]" 1
963 1 58 GLU HB3 1 58 GLU HG3 3.000 . 4.700 2.830 2.431 3.034 . 0 0 "[ . 1 . 2 .]" 1
964 1 58 GLU HB2 1 58 GLU HG3 3.000 . 4.700 2.576 2.247 3.037 . 0 0 "[ . 1 . 2 .]" 1
965 1 60 ARG HB3 1 60 ARG HD3 4.000 . 6.400 2.994 2.125 3.853 . 0 0 "[ . 1 . 2 .]" 1
966 1 60 ARG HB2 1 60 ARG HD2 4.000 . 6.400 3.056 1.983 4.174 . 0 0 "[ . 1 . 2 .]" 1
967 1 60 ARG HD3 1 60 ARG HG3 3.000 . 4.700 2.729 2.410 3.017 . 0 0 "[ . 1 . 2 .]" 1
968 1 60 ARG HB3 1 60 ARG HG2 3.000 . 4.700 2.577 2.254 3.032 . 0 0 "[ . 1 . 2 .]" 1
969 1 60 ARG HB2 1 60 ARG HG2 3.000 . 4.700 2.943 2.517 3.037 . 0 0 "[ . 1 . 2 .]" 1
970 1 60 ARG HB2 1 60 ARG HG3 2.500 . 4.100 2.457 2.258 2.819 . 0 0 "[ . 1 . 2 .]" 1
971 1 60 ARG HB3 1 60 ARG HG3 3.000 . 4.700 2.939 2.515 3.035 . 0 0 "[ . 1 . 2 .]" 1
972 1 60 ARG H 1 60 ARG HB3 4.000 . 5.700 3.836 3.446 3.996 . 0 0 "[ . 1 . 2 .]" 1
973 1 60 ARG HB2 1 61 LYS H 4.000 . 5.700 3.414 1.882 4.476 . 0 0 "[ . 1 . 2 .]" 1
974 1 60 ARG HG3 1 61 LYS H 4.000 . 5.700 4.649 2.958 5.237 . 0 0 "[ . 1 . 2 .]" 1
975 1 60 ARG HB2 1 62 TYR QE 4.000 . 5.700 2.967 2.275 3.707 . 0 0 "[ . 1 . 2 .]" 1
976 1 60 ARG HB3 1 62 TYR QE 4.000 . 5.700 2.611 2.122 4.151 . 0 0 "[ . 1 . 2 .]" 1
977 1 61 LYS HB3 1 61 LYS HD3 4.000 . 5.000 3.394 2.935 3.834 . 0 0 "[ . 1 . 2 .]" 1
978 1 61 LYS HB3 1 61 LYS HD2 3.000 . 3.300 2.320 2.021 2.929 . 0 0 "[ . 1 . 2 .]" 1
979 1 61 LYS HB2 1 61 LYS HD3 4.000 . 5.000 3.807 3.450 3.984 . 0 0 "[ . 1 . 2 .]" 1
980 1 61 LYS HE2 1 61 LYS HG3 4.000 . 6.400 2.441 1.992 3.556 . 0 0 "[ . 1 . 2 .]" 1
981 1 61 LYS HE3 1 61 LYS HG3 4.000 . 6.400 2.911 2.196 3.456 . 0 0 "[ . 1 . 2 .]" 1
982 1 61 LYS HB3 1 61 LYS HG3 3.000 . 4.000 2.911 2.527 3.017 . 0 0 "[ . 1 . 2 .]" 1
983 1 61 LYS HB2 1 61 LYS HG2 3.000 . 4.000 2.914 2.530 3.022 . 0 0 "[ . 1 . 2 .]" 1
984 1 61 LYS HB3 1 61 LYS HG2 3.000 . 4.000 2.629 2.264 3.025 . 0 0 "[ . 1 . 2 .]" 1
985 1 61 LYS HD3 1 61 LYS HE2 3.000 . 4.000 2.645 2.269 2.943 . 0 0 "[ . 1 . 2 .]" 1
986 1 61 LYS HB2 1 61 LYS HD2 4.000 . 5.000 2.942 2.108 3.617 . 0 0 "[ . 1 . 2 .]" 1
987 1 61 LYS HD2 1 61 LYS HE3 3.000 . 4.000 2.424 2.245 2.986 . 0 0 "[ . 1 . 2 .]" 1
988 1 61 LYS HD2 1 61 LYS HG3 3.000 . 4.000 2.885 2.514 3.027 . 0 0 "[ . 1 . 2 .]" 1
989 1 61 LYS HD2 1 61 LYS HG2 3.000 . 4.000 2.748 2.458 3.030 . 0 0 "[ . 1 . 2 .]" 1
990 1 61 LYS HD3 1 61 LYS HE3 3.000 . 4.000 2.888 2.313 3.031 . 0 0 "[ . 1 . 2 .]" 1
991 1 62 TYR H 1 62 TYR HB2 4.000 . 5.000 2.836 2.737 2.987 . 0 0 "[ . 1 . 2 .]" 1
992 1 62 TYR HD1 1 66 ASP HB3 4.000 . 5.000 3.076 2.250 4.100 . 0 0 "[ . 1 . 2 .]" 1
993 1 62 TYR HD1 1 66 ASP HB2 4.000 . 5.000 3.050 2.441 3.872 . 0 0 "[ . 1 . 2 .]" 1
994 1 62 TYR HB2 1 66 ASP HB2 4.000 . 5.000 4.751 3.578 5.105 0.105 5 0 "[ . 1 . 2 .]" 1
995 1 62 TYR HB2 1 66 ASP HB3 4.000 . 5.000 4.368 3.563 5.096 0.096 18 0 "[ . 1 . 2 .]" 1
996 1 62 TYR HB3 1 66 ASP HB2 3.000 . 3.300 3.027 1.977 3.443 0.143 21 0 "[ . 1 . 2 .]" 1
997 1 62 TYR HB2 1 67 PHE HB2 4.000 . 5.000 3.766 3.462 4.398 . 0 0 "[ . 1 . 2 .]" 1
998 1 62 TYR QE 1 67 PHE QE 4.000 . 5.000 4.377 3.262 5.886 0.886 8 1 "[ . + 1 . 2 .]" 1
999 1 62 TYR HB3 1 67 PHE HB3 4.000 . 5.000 5.232 5.116 5.916 0.916 8 1 "[ . + 1 . 2 .]" 1
1000 1 63 CYS HB2 1 64 GLU H 4.000 . 5.000 2.194 1.978 2.689 . 0 0 "[ . 1 . 2 .]" 1
1001 1 63 CYS HB3 1 65 HIS HB3 4.000 . 5.700 4.443 4.319 4.556 . 0 0 "[ . 1 . 2 .]" 1
1002 1 64 GLU HB3 1 68 GLN HG2 4.000 . 6.400 4.893 4.148 5.327 . 0 0 "[ . 1 . 2 .]" 1
1003 1 64 GLU HB2 1 68 GLN HB3 4.000 . 6.400 5.079 4.599 5.479 . 0 0 "[ . 1 . 2 .]" 1
1004 1 64 GLU HB3 1 68 GLN HB3 4.000 . 6.400 4.372 3.497 4.965 . 0 0 "[ . 1 . 2 .]" 1
1005 1 64 GLU HG2 1 68 GLN HG2 4.000 . 6.400 4.897 3.348 5.809 . 0 0 "[ . 1 . 2 .]" 1
1006 1 64 GLU HG3 1 68 GLN HG3 4.000 . 6.400 5.098 4.537 5.835 . 0 0 "[ . 1 . 2 .]" 1
1007 1 64 GLU HG3 1 68 GLN HB3 3.000 . 4.700 2.508 2.033 3.022 . 0 0 "[ . 1 . 2 .]" 1
1008 1 64 GLU HG2 1 68 GLN HB3 2.500 . 4.100 3.475 2.066 4.150 0.050 15 0 "[ . 1 . 2 .]" 1
1009 1 66 ASP HB2 1 67 PHE HB2 4.000 . 5.000 4.919 3.961 5.156 0.156 14 0 "[ . 1 . 2 .]" 1
1010 1 66 ASP HB2 1 70 LEU MD1 4.000 . 6.500 5.447 4.458 5.717 . 0 0 "[ . 1 . 2 .]" 1
1011 1 67 PHE HB2 1 68 GLN H 4.000 . 5.000 3.368 3.125 3.626 . 0 0 "[ . 1 . 2 .]" 1
1012 1 68 GLN HB3 1 68 GLN HG2 3.000 . 4.700 2.385 2.252 2.496 . 0 0 "[ . 1 . 2 .]" 1
1013 1 68 GLN HB2 1 68 GLN HG3 3.000 . 4.700 2.683 2.448 2.985 . 0 0 "[ . 1 . 2 .]" 1
1014 1 68 GLN HB3 1 68 GLN HG3 3.000 . 4.700 2.909 2.683 3.037 . 0 0 "[ . 1 . 2 .]" 1
1015 1 68 GLN HB2 1 68 GLN HG2 3.000 . 4.700 2.905 2.679 3.035 . 0 0 "[ . 1 . 2 .]" 1
1016 1 68 GLN HG3 1 69 MET HG2 4.000 . 6.400 4.754 2.299 6.193 . 0 0 "[ . 1 . 2 .]" 1
1017 1 68 GLN HG2 1 69 MET HG2 4.000 . 6.400 5.705 2.961 6.451 0.051 4 0 "[ . 1 . 2 .]" 1
1018 1 68 GLN HG3 1 69 MET HG3 4.000 . 6.400 4.794 3.242 5.864 . 0 0 "[ . 1 . 2 .]" 1
1019 1 69 MET H 1 70 LEU HG 4.000 . 5.000 3.617 3.331 3.811 . 0 0 "[ . 1 . 2 .]" 1
1020 1 69 MET QB 1 70 LEU H 3.000 . 4.000 2.599 2.428 2.769 . 0 0 "[ . 1 . 2 .]" 1
1021 1 70 LEU HB3 1 70 LEU MD1 2.500 . 4.200 2.345 2.228 2.434 . 0 0 "[ . 1 . 2 .]" 1
1022 1 70 LEU HB2 1 70 LEU MD1 3.000 . 4.800 2.383 2.308 2.452 . 0 0 "[ . 1 . 2 .]" 1
1023 1 70 LEU H 1 70 LEU HB3 4.000 . 5.000 3.620 3.611 3.705 . 0 0 "[ . 1 . 2 .]" 1
1024 1 71 PHE HB3 1 73 PRO QG 4.000 . 5.700 5.174 3.132 5.822 0.122 24 0 "[ . 1 . 2 .]" 1
1025 1 72 ALA MB 1 73 PRO HD3 4.000 . 6.100 3.726 1.853 3.950 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 318
_Distance_constraint_stats_list.Viol_total 629.092
_Distance_constraint_stats_list.Viol_max 0.345
_Distance_constraint_stats_list.Viol_rms 0.0559
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0265
_Distance_constraint_stats_list.Viol_average_violations_only 0.0791
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 12 ALA 1.745 0.104 17 0 "[ . 1 . 2 .]"
1 14 CYS 2.392 0.140 15 0 "[ . 1 . 2 .]"
1 15 GLU 0.194 0.048 14 0 "[ . 1 . 2 .]"
1 18 LYS 1.947 0.140 15 0 "[ . 1 . 2 .]"
1 19 GLY 0.445 0.046 18 0 "[ . 1 . 2 .]"
1 21 PHE 1.745 0.104 17 0 "[ . 1 . 2 .]"
1 28 VAL 1.815 0.293 18 0 "[ . 1 . 2 .]"
1 30 SER 1.844 0.252 3 0 "[ . 1 . 2 .]"
1 33 GLU 1.844 0.252 3 0 "[ . 1 . 2 .]"
1 34 LEU 0.194 0.048 14 0 "[ . 1 . 2 .]"
1 35 TYR 1.815 0.293 18 0 "[ . 1 . 2 .]"
1 40 PHE 1.282 0.188 14 0 "[ . 1 . 2 .]"
1 42 CYS 5.908 0.345 16 0 "[ . 1 . 2 .]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 GLN 5.908 0.345 16 0 "[ . 1 . 2 .]"
1 49 PHE 1.282 0.188 14 0 "[ . 1 . 2 .]"
1 55 TYR 0.765 0.183 8 0 "[ . 1 . 2 .]"
1 57 PHE 1.983 0.242 3 0 "[ . 1 . 2 .]"
1 60 ARG 1.983 0.242 3 0 "[ . 1 . 2 .]"
1 62 TYR 0.765 0.183 8 0 "[ . 1 . 2 .]"
1 64 GLU 0.501 0.096 11 0 "[ . 1 . 2 .]"
1 65 HIS 0.695 0.091 21 0 "[ . 1 . 2 .]"
1 66 ASP 5.186 0.267 24 0 "[ . 1 . 2 .]"
1 67 PHE 0.853 0.112 15 0 "[ . 1 . 2 .]"
1 68 GLN 0.501 0.096 11 0 "[ . 1 . 2 .]"
1 69 MET 0.695 0.091 21 0 "[ . 1 . 2 .]"
1 70 LEU 5.186 0.267 24 0 "[ . 1 . 2 .]"
1 71 PHE 0.853 0.112 15 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 12 ALA O 1 21 PHE N 2.800 2.400 3.300 3.178 3.089 3.312 0.012 3 0 "[ . 1 . 2 .]" 2
2 1 12 ALA O 1 21 PHE H 1.800 . 2.300 2.369 2.326 2.404 0.104 17 0 "[ . 1 . 2 .]" 2
3 1 14 CYS N 1 19 GLY O 2.800 2.400 3.300 3.127 3.080 3.180 . 0 0 "[ . 1 . 2 .]" 2
4 1 14 CYS H 1 19 GLY O 1.800 . 2.300 2.314 2.258 2.346 0.046 18 0 "[ . 1 . 2 .]" 2
5 1 14 CYS O 1 18 LYS N 2.800 2.400 3.300 2.950 2.756 2.999 . 0 0 "[ . 1 . 2 .]" 2
6 1 14 CYS O 1 18 LYS H 1.800 . 2.300 2.370 2.133 2.440 0.140 15 0 "[ . 1 . 2 .]" 2
7 1 15 GLU N 1 34 LEU O 2.800 2.400 3.300 2.995 2.714 3.234 . 0 0 "[ . 1 . 2 .]" 2
8 1 15 GLU H 1 34 LEU O 1.800 . 2.300 2.156 1.802 2.348 0.048 14 0 "[ . 1 . 2 .]" 2
9 1 28 VAL N 1 35 TYR O 2.800 2.400 3.300 2.886 2.591 3.031 . 0 0 "[ . 1 . 2 .]" 2
10 1 28 VAL H 1 35 TYR O 1.800 . 2.300 2.273 1.909 2.419 0.119 13 0 "[ . 1 . 2 .]" 2
11 1 28 VAL O 1 35 TYR N 2.800 2.400 3.300 2.814 2.509 3.494 0.194 18 0 "[ . 1 . 2 .]" 2
12 1 28 VAL O 1 35 TYR H 1.800 . 2.300 1.903 1.549 2.593 0.293 18 0 "[ . 1 . 2 .]" 2
13 1 30 SER N 1 33 GLU O 2.800 2.400 3.300 3.100 2.924 3.231 . 0 0 "[ . 1 . 2 .]" 2
14 1 30 SER H 1 33 GLU O 1.800 . 2.300 2.169 1.999 2.340 0.040 25 0 "[ . 1 . 2 .]" 2
15 1 30 SER O 1 33 GLU N 2.800 2.400 3.300 3.147 2.513 3.443 0.143 3 0 "[ . 1 . 2 .]" 2
16 1 30 SER O 1 33 GLU H 1.800 . 2.300 2.327 1.569 2.552 0.252 3 0 "[ . 1 . 2 .]" 2
17 1 42 CYS N 1 47 GLN O 2.800 2.400 3.300 3.183 2.984 3.351 0.051 10 0 "[ . 1 . 2 .]" 2
18 1 42 CYS H 1 47 GLN O 1.800 . 2.300 2.533 2.428 2.645 0.345 16 0 "[ . 1 . 2 .]" 2
19 1 40 PHE O 1 49 PHE N 2.800 2.400 3.300 2.788 2.515 3.009 . 0 0 "[ . 1 . 2 .]" 2
20 1 40 PHE O 1 49 PHE H 1.800 . 2.300 2.225 1.725 2.488 0.188 14 0 "[ . 1 . 2 .]" 2
21 1 42 CYS O 1 46 PHE N 2.800 2.400 3.300 2.575 2.446 2.773 . 0 0 "[ . 1 . 2 .]" 2
22 1 42 CYS O 1 46 PHE H 1.800 . 2.300 1.867 1.687 2.097 . 0 0 "[ . 1 . 2 .]" 2
23 1 55 TYR N 1 62 TYR O 2.800 2.400 3.300 2.852 2.690 3.167 . 0 0 "[ . 1 . 2 .]" 2
24 1 55 TYR H 1 62 TYR O 1.800 . 2.300 2.194 1.827 2.427 0.127 8 0 "[ . 1 . 2 .]" 2
25 1 55 TYR O 1 62 TYR N 2.800 2.400 3.300 2.964 2.642 3.143 . 0 0 "[ . 1 . 2 .]" 2
26 1 55 TYR O 1 62 TYR H 1.800 . 2.300 2.166 1.730 2.483 0.183 8 0 "[ . 1 . 2 .]" 2
27 1 57 PHE N 1 60 ARG O 2.800 2.400 3.300 3.014 2.560 3.264 . 0 0 "[ . 1 . 2 .]" 2
28 1 57 PHE H 1 60 ARG O 1.800 . 2.300 2.254 2.012 2.409 0.109 19 0 "[ . 1 . 2 .]" 2
29 1 57 PHE O 1 60 ARG N 2.800 2.400 3.300 3.152 2.674 3.318 0.018 10 0 "[ . 1 . 2 .]" 2
30 1 57 PHE O 1 60 ARG H 1.800 . 2.300 2.288 1.762 2.542 0.242 3 0 "[ . 1 . 2 .]" 2
31 1 67 PHE O 1 71 PHE N 2.800 2.400 3.300 3.044 2.673 3.184 . 0 0 "[ . 1 . 2 .]" 2
32 1 67 PHE O 1 71 PHE H 1.800 . 2.300 2.259 1.790 2.412 0.112 15 0 "[ . 1 . 2 .]" 2
33 1 66 ASP O 1 70 LEU N 2.800 2.400 3.300 3.330 3.246 3.396 0.096 3 0 "[ . 1 . 2 .]" 2
34 1 66 ASP O 1 70 LEU H 1.800 . 2.300 2.474 2.408 2.567 0.267 24 0 "[ . 1 . 2 .]" 2
35 1 65 HIS O 1 69 MET N 2.800 2.400 3.300 3.001 2.780 3.249 . 0 0 "[ . 1 . 2 .]" 2
36 1 65 HIS O 1 69 MET H 1.800 . 2.300 2.255 2.057 2.391 0.091 21 0 "[ . 1 . 2 .]" 2
37 1 64 GLU O 1 68 GLN N 2.800 2.400 3.300 2.967 2.528 3.177 . 0 0 "[ . 1 . 2 .]" 2
38 1 64 GLU O 1 68 GLN H 1.800 . 2.300 2.151 1.678 2.396 0.096 11 0 "[ . 1 . 2 .]" 2
stop_
save_
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