NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406023 |
1xfe   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xfe
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 1510
_Distance_constraint_stats_list.Viol_count 1214
_Distance_constraint_stats_list.Viol_total 928.112
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0510
_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 3 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 4 THR 0.000 0.000 . 0 "[ . 1 .]"
1 5 LEU 0.014 0.008 7 0 "[ . 1 .]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 7 GLU 0.103 0.025 2 0 "[ . 1 .]"
1 8 GLY 0.042 0.042 3 0 "[ . 1 .]"
1 9 PRO 0.260 0.036 3 0 "[ . 1 .]"
1 10 ASN 0.346 0.046 9 0 "[ . 1 .]"
1 11 LYS 0.568 0.042 14 0 "[ . 1 .]"
1 12 PHE 0.065 0.021 8 0 "[ . 1 .]"
1 13 LYS 0.409 0.075 10 0 "[ . 1 .]"
1 14 CYS 0.009 0.004 9 0 "[ . 1 .]"
1 15 HIS 0.048 0.048 11 0 "[ . 1 .]"
1 16 SER 0.185 0.055 11 0 "[ . 1 .]"
1 17 GLY 0.408 0.075 10 0 "[ . 1 .]"
1 18 GLU 0.016 0.006 14 0 "[ . 1 .]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 20 ILE 2.159 0.256 11 0 "[ . 1 .]"
1 21 THR 3.915 0.256 11 0 "[ . 1 .]"
1 22 LEU 2.588 0.143 13 0 "[ . 1 .]"
1 23 ASP 7.008 0.157 8 0 "[ . 1 .]"
1 24 LYS 7.436 0.157 8 0 "[ . 1 .]"
1 25 VAL 2.600 0.113 15 0 "[ . 1 .]"
1 26 CYS 0.421 0.078 15 0 "[ . 1 .]"
1 27 ASN 0.038 0.009 2 0 "[ . 1 .]"
1 28 MET 0.054 0.025 1 0 "[ . 1 .]"
1 29 ALA 0.105 0.025 1 0 "[ . 1 .]"
1 30 ARG 0.209 0.037 4 0 "[ . 1 .]"
1 31 ASP 0.267 0.075 15 0 "[ . 1 .]"
1 32 CYS 0.012 0.008 4 0 "[ . 1 .]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 34 ASP 0.180 0.055 11 0 "[ . 1 .]"
1 35 TRP 0.770 0.044 3 0 "[ . 1 .]"
1 36 SER 0.048 0.048 11 0 "[ . 1 .]"
1 37 ASP 0.222 0.075 15 0 "[ . 1 .]"
1 38 GLU 0.846 0.047 15 0 "[ . 1 .]"
1 39 PRO 0.336 0.047 15 0 "[ . 1 .]"
1 40 ILE 0.046 0.041 9 0 "[ . 1 .]"
1 41 LYS 0.159 0.078 13 0 "[ . 1 .]"
1 42 GLU 0.229 0.078 13 0 "[ . 1 .]"
1 43 CYS 0.667 0.089 14 0 "[ . 1 .]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 45 THR 2.027 0.089 14 0 "[ . 1 .]"
1 46 ASN 0.775 0.065 4 0 "[ . 1 .]"
1 47 GLU 0.711 0.061 9 0 "[ . 1 .]"
1 48 CYS 7.009 0.202 10 0 "[ . 1 .]"
1 49 LEU 1.621 0.127 9 0 "[ . 1 .]"
1 50 ASP 6.894 0.202 10 0 "[ . 1 .]"
1 51 ASN 3.233 0.250 3 0 "[ . 1 .]"
1 52 ASN 4.737 0.217 13 0 "[ . 1 .]"
1 53 GLY 4.763 0.236 9 0 "[ . 1 .]"
1 54 GLY 4.987 0.168 9 0 "[ . 1 .]"
1 55 CYS 11.726 0.262 10 0 "[ . 1 .]"
1 56 SER 1.293 0.104 5 0 "[ . 1 .]"
1 57 HIS 5.778 0.236 9 0 "[ . 1 .]"
1 58 VAL 2.996 0.131 8 0 "[ . 1 .]"
1 59 CYS 1.798 0.083 8 0 "[ . 1 .]"
1 60 ASN 0.278 0.057 13 0 "[ . 1 .]"
1 61 ASP 0.489 0.057 4 0 "[ . 1 .]"
1 62 LEU 0.950 0.097 1 0 "[ . 1 .]"
1 63 LYS 0.096 0.029 6 0 "[ . 1 .]"
1 64 ILE 1.407 0.075 12 0 "[ . 1 .]"
1 65 GLY 0.862 0.079 12 0 "[ . 1 .]"
1 66 TYR 3.313 0.097 1 0 "[ . 1 .]"
1 67 GLU 1.437 0.107 3 0 "[ . 1 .]"
1 68 CYS 0.938 0.107 3 0 "[ . 1 .]"
1 69 LEU 1.474 0.073 5 0 "[ . 1 .]"
1 70 CYS 0.581 0.073 5 0 "[ . 1 .]"
1 71 PRO 0.130 0.026 9 0 "[ . 1 .]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 74 PHE 1.936 0.131 10 0 "[ . 1 .]"
1 75 GLN 1.088 0.131 10 0 "[ . 1 .]"
1 76 LEU 1.089 0.146 11 0 "[ . 1 .]"
1 77 VAL 2.655 0.233 8 0 "[ . 1 .]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 79 GLN 0.192 0.056 5 0 "[ . 1 .]"
1 80 ARG 3.471 0.262 10 0 "[ . 1 .]"
1 81 ARG 4.338 0.233 8 0 "[ . 1 .]"
1 82 CYS 1.581 0.080 10 0 "[ . 1 .]"
1 83 GLU 1.093 0.146 11 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL HA 1 4 THR H 3.200 . 4.000 2.187 2.139 2.284 . 0 0 "[ . 1 .]" 1
2 1 3 VAL HA 1 5 LEU H 4.000 . 6.500 5.874 5.391 6.237 . 0 0 "[ . 1 .]" 1
3 1 3 VAL H 1 3 VAL HB 4.000 . 6.500 3.458 2.734 3.767 . 0 0 "[ . 1 .]" 1
4 1 3 VAL HB 1 4 THR H 4.000 . 6.500 3.487 2.697 4.499 . 0 0 "[ . 1 .]" 1
5 1 4 THR HA 1 5 LEU H 3.200 . 4.000 2.185 2.140 2.254 . 0 0 "[ . 1 .]" 1
6 1 4 THR H 1 4 THR HB 4.000 . 6.500 3.280 2.606 3.728 . 0 0 "[ . 1 .]" 1
7 1 4 THR HB 1 5 LEU H 4.000 . 6.500 3.674 2.828 4.459 . 0 0 "[ . 1 .]" 1
8 1 5 LEU HA 1 5 LEU HG 4.000 . 6.500 3.079 2.266 3.713 . 0 0 "[ . 1 .]" 1
9 1 5 LEU H 1 5 LEU HB3 4.000 . 6.500 3.502 2.931 4.082 . 0 0 "[ . 1 .]" 1
10 1 5 LEU H 1 5 LEU HB2 4.000 . 6.500 2.871 2.058 3.943 . 0 0 "[ . 1 .]" 1
11 1 5 LEU H 1 5 LEU HG 4.000 . 6.500 3.942 2.592 5.199 . 0 0 "[ . 1 .]" 1
12 1 6 CYS HA 1 7 GLU H 3.200 . 4.000 2.611 2.137 3.565 . 0 0 "[ . 1 .]" 1
13 1 6 CYS HB3 1 7 GLU H 4.000 . 6.500 3.834 2.799 4.570 . 0 0 "[ . 1 .]" 1
14 1 6 CYS HB2 1 7 GLU H 4.000 . 6.500 4.218 2.233 4.658 . 0 0 "[ . 1 .]" 1
15 1 7 GLU HA 1 8 GLY H 2.600 . 3.000 2.269 2.145 2.610 . 0 0 "[ . 1 .]" 1
16 1 7 GLU H 1 7 GLU HB3 4.000 . 6.500 3.214 2.638 3.765 . 0 0 "[ . 1 .]" 1
17 1 7 GLU HB3 1 8 GLY H 4.000 . 6.500 3.512 2.018 4.270 . 0 0 "[ . 1 .]" 1
18 1 7 GLU H 1 7 GLU HB2 4.000 . 6.500 3.009 2.416 3.877 . 0 0 "[ . 1 .]" 1
19 1 7 GLU HB2 1 8 GLY H 4.000 . 6.500 3.778 2.079 4.517 . 0 0 "[ . 1 .]" 1
20 1 7 GLU H 1 8 GLY H 4.000 . 6.500 4.387 4.220 4.634 . 0 0 "[ . 1 .]" 1
21 1 8 GLY HA3 1 9 PRO HD3 3.200 . 4.000 3.199 2.305 3.602 . 0 0 "[ . 1 .]" 1
22 1 8 GLY HA3 1 9 PRO HD2 3.200 . 4.000 2.674 2.086 3.565 . 0 0 "[ . 1 .]" 1
23 1 8 GLY HA2 1 9 PRO HD3 4.000 . 6.500 2.441 1.973 3.095 . 0 0 "[ . 1 .]" 1
24 1 8 GLY HA2 1 9 PRO HD2 3.200 . 4.000 2.831 2.397 3.674 . 0 0 "[ . 1 .]" 1
25 1 9 PRO HA 1 10 ASN H 3.200 . 4.000 2.968 2.156 3.572 . 0 0 "[ . 1 .]" 1
26 1 9 PRO HA 1 11 LYS H 4.000 . 6.500 3.877 3.219 4.443 . 0 0 "[ . 1 .]" 1
27 1 9 PRO HA 1 9 PRO HG3 3.200 . 4.000 3.767 2.994 4.031 0.031 4 0 "[ . 1 .]" 1
28 1 9 PRO HA 1 9 PRO HG2 3.200 . 4.000 3.887 3.852 4.036 0.036 3 0 "[ . 1 .]" 1
29 1 9 PRO HB3 1 10 ASN H 4.000 . 6.500 3.938 3.274 4.658 . 0 0 "[ . 1 .]" 1
30 1 9 PRO HB2 1 10 ASN H 4.000 . 6.500 3.157 2.241 4.322 . 0 0 "[ . 1 .]" 1
31 1 9 PRO HD3 1 10 ASN H 4.000 . 6.500 4.650 3.832 5.807 . 0 0 "[ . 1 .]" 1
32 1 8 GLY H 1 9 PRO HD3 4.000 . 6.500 4.557 3.541 5.082 . 0 0 "[ . 1 .]" 1
33 1 9 PRO HB3 1 9 PRO HD3 4.000 . 6.500 3.292 2.966 4.050 . 0 0 "[ . 1 .]" 1
34 1 9 PRO HB2 1 9 PRO HD3 4.000 . 6.500 3.923 3.874 4.028 . 0 0 "[ . 1 .]" 1
35 1 9 PRO HD2 1 10 ASN H 4.000 . 6.500 3.908 2.632 5.667 . 0 0 "[ . 1 .]" 1
36 1 8 GLY H 1 9 PRO HD2 4.000 . 6.500 4.807 4.472 5.300 . 0 0 "[ . 1 .]" 1
37 1 9 PRO HB3 1 9 PRO HD2 4.000 . 6.500 3.882 3.874 3.902 . 0 0 "[ . 1 .]" 1
38 1 9 PRO HB2 1 9 PRO HD2 4.000 . 6.500 3.745 2.954 4.049 . 0 0 "[ . 1 .]" 1
39 1 9 PRO HG3 1 10 ASN H 4.000 . 6.500 4.711 3.605 5.560 . 0 0 "[ . 1 .]" 1
40 1 9 PRO HG2 1 10 ASN H 4.000 . 6.500 3.839 1.984 5.369 . 0 0 "[ . 1 .]" 1
41 1 10 ASN HA 1 22 LEU HB3 3.200 . 4.000 3.976 3.672 4.046 0.046 9 0 "[ . 1 .]" 1
42 1 10 ASN HA 1 22 LEU HB2 4.000 . 6.500 4.995 4.722 5.146 . 0 0 "[ . 1 .]" 1
43 1 10 ASN HB3 1 10 ASN HD22 4.000 . 6.500 3.949 3.436 4.094 . 0 0 "[ . 1 .]" 1
44 1 10 ASN H 1 10 ASN HB3 4.000 . 6.500 3.144 2.921 3.642 . 0 0 "[ . 1 .]" 1
45 1 10 ASN HB3 1 11 LYS H 4.000 . 6.500 4.578 4.057 4.671 . 0 0 "[ . 1 .]" 1
46 1 10 ASN HB3 1 22 LEU H 4.000 . 6.500 5.279 4.698 5.753 . 0 0 "[ . 1 .]" 1
47 1 10 ASN HB2 1 10 ASN HD22 4.000 . 6.500 3.559 3.444 4.061 . 0 0 "[ . 1 .]" 1
48 1 10 ASN H 1 10 ASN HB2 4.000 . 6.500 3.846 3.630 4.139 . 0 0 "[ . 1 .]" 1
49 1 10 ASN HB2 1 11 LYS H 4.000 . 6.500 4.438 4.383 4.604 . 0 0 "[ . 1 .]" 1
50 1 10 ASN HB2 1 22 LEU H 4.000 . 6.500 3.731 3.259 4.503 . 0 0 "[ . 1 .]" 1
51 1 10 ASN H 1 11 LYS H 4.000 . 6.500 2.697 2.007 3.260 . 0 0 "[ . 1 .]" 1
52 1 11 LYS HA 1 11 LYS HG3 4.000 . 6.500 3.362 2.455 3.738 . 0 0 "[ . 1 .]" 1
53 1 11 LYS HA 1 11 LYS HG2 4.000 . 6.500 3.406 2.214 4.252 . 0 0 "[ . 1 .]" 1
54 1 11 LYS HA 1 12 PHE H 2.600 . 3.000 2.352 2.215 2.418 . 0 0 "[ . 1 .]" 1
55 1 11 LYS HA 1 20 ILE H 4.000 . 6.500 4.832 4.239 5.486 . 0 0 "[ . 1 .]" 1
56 1 11 LYS HA 1 22 LEU H 4.000 . 6.500 3.760 3.533 4.102 . 0 0 "[ . 1 .]" 1
57 1 10 ASN H 1 11 LYS HB3 4.000 . 6.500 5.162 4.391 6.400 . 0 0 "[ . 1 .]" 1
58 1 11 LYS H 1 11 LYS HB3 4.000 . 6.500 3.026 2.571 3.660 . 0 0 "[ . 1 .]" 1
59 1 11 LYS HB3 1 12 PHE H 4.000 . 6.500 3.339 2.385 4.020 . 0 0 "[ . 1 .]" 1
60 1 7 GLU H 1 11 LYS HB3 4.000 . 6.500 5.147 4.172 6.248 . 0 0 "[ . 1 .]" 1
61 1 8 GLY H 1 11 LYS HB3 4.000 . 6.500 4.237 2.589 6.123 . 0 0 "[ . 1 .]" 1
62 1 10 ASN H 1 11 LYS HB2 4.000 . 6.500 5.092 3.876 6.536 0.036 2 0 "[ . 1 .]" 1
63 1 11 LYS H 1 11 LYS HB2 3.200 . 4.000 3.000 2.284 3.685 . 0 0 "[ . 1 .]" 1
64 1 11 LYS HB2 1 12 PHE H 3.200 . 4.000 3.299 2.428 4.021 0.021 8 0 "[ . 1 .]" 1
65 1 7 GLU H 1 11 LYS HB2 4.000 . 6.500 5.151 4.433 6.432 . 0 0 "[ . 1 .]" 1
66 1 8 GLY H 1 11 LYS HB2 4.000 . 6.500 4.263 1.996 6.542 0.042 3 0 "[ . 1 .]" 1
67 1 10 ASN H 1 11 LYS HG3 4.000 . 6.500 4.868 2.942 6.502 0.002 13 0 "[ . 1 .]" 1
68 1 11 LYS H 1 11 LYS HG3 4.000 . 6.500 3.133 1.888 4.664 . 0 0 "[ . 1 .]" 1
69 1 11 LYS HG3 1 12 PHE H 4.000 . 6.500 4.118 1.993 4.936 . 0 0 "[ . 1 .]" 1
70 1 7 GLU H 1 11 LYS HG3 4.000 . 6.500 5.695 3.823 6.525 0.025 2 0 "[ . 1 .]" 1
71 1 8 GLY H 1 11 LYS HG3 4.000 . 6.500 4.596 2.498 6.403 . 0 0 "[ . 1 .]" 1
72 1 10 ASN H 1 11 LYS HG2 4.000 . 6.500 5.346 3.783 6.459 . 0 0 "[ . 1 .]" 1
73 1 11 LYS H 1 11 LYS HG2 4.000 . 6.500 3.664 2.085 4.737 . 0 0 "[ . 1 .]" 1
74 1 11 LYS HG2 1 12 PHE H 4.000 . 6.500 4.148 1.954 5.211 . 0 0 "[ . 1 .]" 1
75 1 7 GLU H 1 11 LYS HG2 4.000 . 6.500 5.264 3.898 6.506 0.006 9 0 "[ . 1 .]" 1
76 1 8 GLY H 1 11 LYS HG2 4.000 . 6.500 4.263 1.910 5.477 . 0 0 "[ . 1 .]" 1
77 1 11 LYS H 1 12 PHE H 4.000 . 6.500 4.563 4.527 4.593 . 0 0 "[ . 1 .]" 1
78 1 12 PHE HA 1 13 LYS H 2.600 . 3.000 2.224 2.213 2.239 . 0 0 "[ . 1 .]" 1
79 1 12 PHE HA 1 14 CYS H 4.000 . 6.500 6.013 5.829 6.349 . 0 0 "[ . 1 .]" 1
80 1 12 PHE H 1 12 PHE HB3 4.000 . 6.500 2.988 2.865 3.171 . 0 0 "[ . 1 .]" 1
81 1 12 PHE HB3 1 13 LYS H 4.000 . 6.500 3.865 3.674 3.977 . 0 0 "[ . 1 .]" 1
82 1 12 PHE HB3 1 20 ILE H 4.000 . 6.500 3.175 2.932 3.514 . 0 0 "[ . 1 .]" 1
83 1 12 PHE HB3 1 21 THR H 4.000 . 6.500 4.500 4.278 4.909 . 0 0 "[ . 1 .]" 1
84 1 12 PHE H 1 12 PHE HB2 4.000 . 6.500 3.197 3.077 3.412 . 0 0 "[ . 1 .]" 1
85 1 12 PHE HB2 1 13 LYS H 4.000 . 6.500 4.175 4.093 4.243 . 0 0 "[ . 1 .]" 1
86 1 12 PHE HB2 1 20 ILE H 4.000 . 6.500 4.583 4.342 4.858 . 0 0 "[ . 1 .]" 1
87 1 12 PHE HB2 1 21 THR H 4.000 . 6.500 5.347 4.945 6.033 . 0 0 "[ . 1 .]" 1
88 1 12 PHE H 1 13 LYS H 4.000 . 6.500 4.308 4.240 4.356 . 0 0 "[ . 1 .]" 1
89 1 12 PHE H 1 20 ILE H 4.000 . 6.500 2.881 2.263 3.600 . 0 0 "[ . 1 .]" 1
90 1 12 PHE H 1 22 LEU H 4.000 . 6.500 4.532 4.227 4.844 . 0 0 "[ . 1 .]" 1
91 1 12 PHE H 1 13 LYS HA 4.000 . 6.500 4.680 4.565 4.790 . 0 0 "[ . 1 .]" 1
92 1 13 LYS HA 1 14 CYS H 2.600 . 3.000 2.168 2.126 2.296 . 0 0 "[ . 1 .]" 1
93 1 13 LYS HA 1 19 CYS HA 4.000 . 6.500 2.596 2.197 3.187 . 0 0 "[ . 1 .]" 1
94 1 13 LYS HA 1 20 ILE H 4.000 . 6.500 3.491 2.830 3.905 . 0 0 "[ . 1 .]" 1
95 1 13 LYS H 1 13 LYS HB3 3.200 . 4.000 3.235 3.022 3.458 . 0 0 "[ . 1 .]" 1
96 1 13 LYS HB3 1 14 CYS H 4.000 . 6.500 4.103 3.566 4.334 . 0 0 "[ . 1 .]" 1
97 1 13 LYS HB3 1 17 GLY H 4.000 . 6.500 6.277 5.874 6.455 . 0 0 "[ . 1 .]" 1
98 1 13 LYS H 1 13 LYS HB2 3.200 . 4.000 3.713 3.608 3.798 . 0 0 "[ . 1 .]" 1
99 1 13 LYS HB2 1 14 CYS H 4.000 . 6.500 3.322 2.779 3.589 . 0 0 "[ . 1 .]" 1
100 1 13 LYS HB2 1 17 GLY H 4.000 . 6.500 4.708 4.271 4.838 . 0 0 "[ . 1 .]" 1
101 1 13 LYS HB3 1 13 LYS HE3 4.000 . 6.500 3.476 2.968 4.991 . 0 0 "[ . 1 .]" 1
102 1 13 LYS HB2 1 13 LYS HE3 4.000 . 6.500 2.693 2.036 3.862 . 0 0 "[ . 1 .]" 1
103 1 13 LYS H 1 13 LYS HE3 4.000 . 6.500 5.314 4.517 6.000 . 0 0 "[ . 1 .]" 1
104 1 13 LYS HE3 1 14 CYS H 4.000 . 6.500 5.763 4.432 6.504 0.004 9 0 "[ . 1 .]" 1
105 1 13 LYS HE3 1 17 GLY H 4.000 . 6.500 5.811 4.594 6.501 0.001 4 0 "[ . 1 .]" 1
106 1 13 LYS H 1 13 LYS HE2 4.000 . 6.500 5.204 4.495 5.976 . 0 0 "[ . 1 .]" 1
107 1 13 LYS HE2 1 14 CYS H 4.000 . 6.500 5.388 4.717 6.261 . 0 0 "[ . 1 .]" 1
108 1 13 LYS HE2 1 17 GLY H 4.000 . 6.500 5.211 4.114 5.912 . 0 0 "[ . 1 .]" 1
109 1 13 LYS H 1 14 CYS H 4.000 . 6.500 4.321 4.147 4.479 . 0 0 "[ . 1 .]" 1
110 1 12 PHE HZ 1 14 CYS HA 4.000 . 6.500 4.888 4.237 5.924 . 0 0 "[ . 1 .]" 1
111 1 14 CYS HA 1 16 SER H 4.000 . 6.500 4.541 4.081 6.191 . 0 0 "[ . 1 .]" 1
112 1 14 CYS H 1 16 SER H 4.000 . 6.500 5.114 4.522 6.501 0.001 11 0 "[ . 1 .]" 1
113 1 14 CYS H 1 17 GLY H 4.000 . 6.500 4.096 3.803 4.674 . 0 0 "[ . 1 .]" 1
114 1 14 CYS H 1 20 ILE H 4.000 . 6.500 4.560 3.944 5.141 . 0 0 "[ . 1 .]" 1
115 1 15 HIS HA 1 15 HIS HD2 4.000 . 6.500 4.205 2.105 4.849 . 0 0 "[ . 1 .]" 1
116 1 15 HIS HA 1 16 SER H 4.000 . 6.500 3.466 3.031 3.540 . 0 0 "[ . 1 .]" 1
117 1 15 HIS HA 1 17 GLY H 4.000 . 6.500 3.762 3.517 4.278 . 0 0 "[ . 1 .]" 1
118 1 15 HIS HB3 1 15 HIS HD2 4.000 . 6.500 3.129 2.714 3.960 . 0 0 "[ . 1 .]" 1
119 1 15 HIS HB3 1 16 SER H 4.000 . 6.500 2.887 1.908 3.505 . 0 0 "[ . 1 .]" 1
120 1 15 HIS HB2 1 15 HIS HD2 4.000 . 6.500 3.248 2.762 3.686 . 0 0 "[ . 1 .]" 1
121 1 15 HIS HB2 1 16 SER H 4.000 . 6.500 3.542 2.749 4.024 . 0 0 "[ . 1 .]" 1
122 1 16 SER HA 1 17 GLY H 4.000 . 6.500 3.183 2.993 3.342 . 0 0 "[ . 1 .]" 1
123 1 16 SER HA 1 34 ASP HB2 4.000 . 6.500 5.432 4.788 5.908 . 0 0 "[ . 1 .]" 1
124 1 16 SER HA 1 34 ASP HB3 4.000 . 6.500 6.363 5.373 6.511 0.011 9 0 "[ . 1 .]" 1
125 1 16 SER HA 1 34 ASP H 4.000 . 6.500 6.382 5.952 6.555 0.055 11 0 "[ . 1 .]" 1
126 1 16 SER H 1 17 GLY H 4.000 . 6.500 2.613 2.433 2.833 . 0 0 "[ . 1 .]" 1
127 1 13 LYS HB3 1 17 GLY HA3 4.000 . 6.500 6.504 6.339 6.575 0.075 10 0 "[ . 1 .]" 1
128 1 13 LYS HE2 1 17 GLY HA3 4.000 . 6.500 6.000 4.701 6.502 0.002 13 0 "[ . 1 .]" 1
129 1 13 LYS HE2 1 17 GLY HA2 4.000 . 6.500 4.704 3.087 6.513 0.013 10 0 "[ . 1 .]" 1
130 1 18 GLU HA 1 18 GLU HG3 4.000 . 6.500 3.301 2.209 3.873 . 0 0 "[ . 1 .]" 1
131 1 18 GLU HA 1 18 GLU HG2 4.000 . 6.500 2.591 2.059 3.906 . 0 0 "[ . 1 .]" 1
132 1 18 GLU HA 1 19 CYS H 2.600 . 3.000 2.413 2.136 2.720 . 0 0 "[ . 1 .]" 1
133 1 18 GLU HB3 1 19 CYS H 4.000 . 6.500 2.938 1.987 3.749 . 0 0 "[ . 1 .]" 1
134 1 18 GLU HB2 1 19 CYS H 4.000 . 6.500 3.765 1.920 4.511 . 0 0 "[ . 1 .]" 1
135 1 17 GLY H 1 18 GLU HG3 4.000 . 6.500 5.560 4.327 6.505 0.005 14 0 "[ . 1 .]" 1
136 1 18 GLU HG3 1 19 CYS H 4.000 . 6.500 4.450 2.000 5.309 . 0 0 "[ . 1 .]" 1
137 1 17 GLY H 1 18 GLU HG2 4.000 . 6.500 5.599 3.424 6.506 0.006 14 0 "[ . 1 .]" 1
138 1 18 GLU HG2 1 19 CYS H 4.000 . 6.500 3.868 1.997 4.693 . 0 0 "[ . 1 .]" 1
139 1 12 PHE H 1 19 CYS HA 4.000 . 6.500 4.025 3.617 4.547 . 0 0 "[ . 1 .]" 1
140 1 13 LYS HB3 1 19 CYS HA 4.000 . 6.500 3.815 2.595 4.292 . 0 0 "[ . 1 .]" 1
141 1 13 LYS HB2 1 19 CYS HA 4.000 . 6.500 4.611 3.820 4.981 . 0 0 "[ . 1 .]" 1
142 1 13 LYS H 1 19 CYS HA 4.000 . 6.500 4.845 4.436 5.140 . 0 0 "[ . 1 .]" 1
143 1 14 CYS H 1 19 CYS HA 4.000 . 6.500 3.868 3.305 4.540 . 0 0 "[ . 1 .]" 1
144 1 19 CYS HA 1 20 ILE H 2.600 . 3.000 2.165 2.147 2.205 . 0 0 "[ . 1 .]" 1
145 1 19 CYS H 1 19 CYS HB3 3.200 . 4.000 3.350 2.436 3.911 . 0 0 "[ . 1 .]" 1
146 1 19 CYS HB3 1 20 ILE H 4.000 . 6.500 3.705 3.076 4.319 . 0 0 "[ . 1 .]" 1
147 1 19 CYS H 1 19 CYS HB2 3.200 . 4.000 2.627 2.117 3.187 . 0 0 "[ . 1 .]" 1
148 1 19 CYS HB2 1 20 ILE H 4.000 . 6.500 4.333 4.097 4.602 . 0 0 "[ . 1 .]" 1
149 1 19 CYS H 1 20 ILE H 4.000 . 6.500 4.341 3.985 4.581 . 0 0 "[ . 1 .]" 1
150 1 20 ILE HA 1 20 ILE HG13 4.000 . 6.500 3.720 3.519 3.835 . 0 0 "[ . 1 .]" 1
151 1 20 ILE HA 1 20 ILE HG12 4.000 . 6.500 3.722 3.553 4.152 . 0 0 "[ . 1 .]" 1
152 1 20 ILE HA 1 21 THR H 2.600 . 3.000 2.577 2.547 2.598 . 0 0 "[ . 1 .]" 1
153 1 20 ILE H 1 20 ILE HB 4.000 . 6.500 3.816 3.734 3.902 . 0 0 "[ . 1 .]" 1
154 1 20 ILE HB 1 21 THR H 2.600 . 3.000 2.126 2.092 2.191 . 0 0 "[ . 1 .]" 1
155 1 20 ILE H 1 20 ILE HG13 3.200 . 4.000 2.732 1.960 3.264 . 0 0 "[ . 1 .]" 1
156 1 20 ILE HG13 1 21 THR H 4.000 . 6.500 3.756 3.235 4.377 . 0 0 "[ . 1 .]" 1
157 1 20 ILE H 1 20 ILE HG12 3.200 . 4.000 2.572 2.234 3.599 . 0 0 "[ . 1 .]" 1
158 1 20 ILE HG12 1 21 THR H 4.000 . 6.500 4.608 4.345 4.840 . 0 0 "[ . 1 .]" 1
159 1 20 ILE H 1 21 THR H 4.000 . 6.500 4.369 4.334 4.399 . 0 0 "[ . 1 .]" 1
160 1 11 LYS HB3 1 21 THR HA 4.000 . 6.500 5.489 4.972 5.892 . 0 0 "[ . 1 .]" 1
161 1 11 LYS HB2 1 21 THR HA 4.000 . 6.500 5.553 5.046 6.321 . 0 0 "[ . 1 .]" 1
162 1 12 PHE H 1 21 THR HA 4.000 . 6.500 3.716 3.335 4.032 . 0 0 "[ . 1 .]" 1
163 1 21 THR HA 1 22 LEU HB3 4.000 . 6.500 4.446 4.387 4.521 . 0 0 "[ . 1 .]" 1
164 1 21 THR HA 1 22 LEU HB2 4.000 . 6.500 5.684 5.656 5.717 . 0 0 "[ . 1 .]" 1
165 1 21 THR HA 1 22 LEU H 3.200 . 4.000 2.233 2.196 2.326 . 0 0 "[ . 1 .]" 1
166 1 21 THR HA 1 23 ASP H 4.000 . 6.500 4.007 3.915 4.142 . 0 0 "[ . 1 .]" 1
167 1 10 ASN HD21 1 21 THR HB 4.000 . 6.500 4.608 2.512 6.506 0.006 3 0 "[ . 1 .]" 1
168 1 10 ASN HD22 1 21 THR HB 4.000 . 6.500 5.536 3.995 6.499 . 0 0 "[ . 1 .]" 1
169 1 20 ILE H 1 21 THR HB 4.000 . 6.500 6.635 6.549 6.756 0.256 11 0 "[ . 1 .]" 1
170 1 21 THR H 1 21 THR HB 4.000 . 6.500 3.067 2.438 3.612 . 0 0 "[ . 1 .]" 1
171 1 21 THR HB 1 22 LEU H 3.200 . 4.000 3.428 2.750 4.002 0.002 1 0 "[ . 1 .]" 1
172 1 21 THR HB 1 23 ASP H 4.000 . 6.500 3.534 3.148 3.979 . 0 0 "[ . 1 .]" 1
173 1 21 THR H 1 22 LEU H 4.000 . 6.500 4.583 4.548 4.610 . 0 0 "[ . 1 .]" 1
174 1 12 PHE HB3 1 22 LEU HA 4.000 . 6.500 3.439 3.005 3.918 . 0 0 "[ . 1 .]" 1
175 1 12 PHE HB2 1 22 LEU HA 4.000 . 6.500 2.477 2.164 2.890 . 0 0 "[ . 1 .]" 1
176 1 12 PHE H 1 22 LEU HA 4.000 . 6.500 5.340 4.990 5.992 . 0 0 "[ . 1 .]" 1
177 1 22 LEU HA 1 22 LEU HG 4.000 . 6.500 3.684 3.660 3.709 . 0 0 "[ . 1 .]" 1
178 1 22 LEU HA 1 23 ASP H 4.000 . 6.500 3.485 3.461 3.512 . 0 0 "[ . 1 .]" 1
179 1 22 LEU HA 1 24 LYS H 4.000 . 6.500 4.841 4.722 4.939 . 0 0 "[ . 1 .]" 1
180 1 22 LEU HA 1 25 VAL HB 4.000 . 6.500 3.576 2.365 3.994 . 0 0 "[ . 1 .]" 1
181 1 22 LEU HA 1 25 VAL H 4.000 . 6.500 3.835 3.454 4.046 . 0 0 "[ . 1 .]" 1
182 1 22 LEU HA 1 26 CYS H 4.000 . 6.500 6.503 6.383 6.578 0.078 15 0 "[ . 1 .]" 1
183 1 22 LEU H 1 22 LEU HB3 3.200 . 4.000 2.554 2.417 2.648 . 0 0 "[ . 1 .]" 1
184 1 22 LEU HB3 1 23 ASP H 4.000 . 6.500 4.029 3.972 4.090 . 0 0 "[ . 1 .]" 1
185 1 22 LEU HB3 1 24 LYS H 4.000 . 6.500 6.561 6.455 6.643 0.143 13 0 "[ . 1 .]" 1
186 1 22 LEU HB3 1 25 VAL H 4.000 . 6.500 5.867 5.605 6.017 . 0 0 "[ . 1 .]" 1
187 1 22 LEU H 1 22 LEU HB2 3.200 . 4.000 3.592 3.564 3.610 . 0 0 "[ . 1 .]" 1
188 1 22 LEU HB2 1 23 ASP H 4.000 . 6.500 3.962 3.878 4.030 . 0 0 "[ . 1 .]" 1
189 1 21 THR H 1 22 LEU HG 4.000 . 6.500 6.548 6.522 6.585 0.085 4 0 "[ . 1 .]" 1
190 1 22 LEU H 1 22 LEU HG 4.000 . 6.500 2.125 2.014 2.311 . 0 0 "[ . 1 .]" 1
191 1 22 LEU HG 1 23 ASP H 4.000 . 6.500 2.393 2.179 2.541 . 0 0 "[ . 1 .]" 1
192 1 22 LEU H 1 23 ASP H 3.200 . 4.000 2.524 2.460 2.641 . 0 0 "[ . 1 .]" 1
193 1 23 ASP H 1 23 ASP HB3 4.000 . 6.500 3.609 3.599 3.624 . 0 0 "[ . 1 .]" 1
194 1 23 ASP HB3 1 24 LYS H 4.000 . 6.500 3.122 3.040 3.197 . 0 0 "[ . 1 .]" 1
195 1 23 ASP HB3 1 25 VAL H 4.000 . 6.500 4.705 4.633 4.903 . 0 0 "[ . 1 .]" 1
196 1 23 ASP H 1 23 ASP HB2 3.200 . 4.000 2.659 2.634 2.686 . 0 0 "[ . 1 .]" 1
197 1 23 ASP HB2 1 24 LYS H 4.000 . 6.500 2.014 1.935 2.091 . 0 0 "[ . 1 .]" 1
198 1 23 ASP HB2 1 25 VAL H 4.000 . 6.500 4.398 4.352 4.423 . 0 0 "[ . 1 .]" 1
199 1 23 ASP H 1 24 LYS H 4.000 . 4.000 3.210 3.160 3.250 . 0 0 "[ . 1 .]" 1
200 1 23 ASP H 1 25 VAL H 4.000 . 6.500 4.117 3.957 4.236 . 0 0 "[ . 1 .]" 1
201 1 23 ASP HB3 1 24 LYS HA 3.200 . 4.000 4.120 4.109 4.128 0.128 15 0 "[ . 1 .]" 1
202 1 23 ASP HB2 1 24 LYS HA 3.200 . 4.000 4.114 4.105 4.141 0.141 8 0 "[ . 1 .]" 1
203 1 24 LYS HA 1 24 LYS HD2 3.200 . 4.000 3.982 3.849 4.043 0.043 8 0 "[ . 1 .]" 1
204 1 24 LYS HA 1 24 LYS HG3 3.200 . 4.000 3.630 3.561 3.682 . 0 0 "[ . 1 .]" 1
205 1 24 LYS HA 1 24 LYS HG2 4.000 . 6.500 4.208 4.132 4.239 . 0 0 "[ . 1 .]" 1
206 1 24 LYS HA 1 25 VAL H 4.000 . 6.500 3.141 3.007 3.246 . 0 0 "[ . 1 .]" 1
207 1 24 LYS HA 1 27 ASN HB2 4.000 . 6.500 4.618 3.966 5.388 . 0 0 "[ . 1 .]" 1
208 1 24 LYS HA 1 27 ASN HD21 4.000 . 6.500 4.734 3.273 5.987 . 0 0 "[ . 1 .]" 1
209 1 24 LYS HA 1 27 ASN HD22 4.000 . 6.500 5.582 4.064 6.509 0.009 2 0 "[ . 1 .]" 1
210 1 21 THR H 1 24 LYS HB3 4.000 . 6.500 6.299 6.016 6.518 0.018 13 0 "[ . 1 .]" 1
211 1 23 ASP H 1 24 LYS HB3 4.000 . 6.500 5.881 5.705 6.042 . 0 0 "[ . 1 .]" 1
212 1 24 LYS H 1 24 LYS HB3 4.000 . 6.500 2.697 2.550 2.816 . 0 0 "[ . 1 .]" 1
213 1 24 LYS HB3 1 25 VAL H 4.000 . 6.500 4.596 4.540 4.647 . 0 0 "[ . 1 .]" 1
214 1 24 LYS HB3 1 27 ASN HD21 4.000 . 6.500 4.301 3.019 5.799 . 0 0 "[ . 1 .]" 1
215 1 24 LYS HB3 1 27 ASN HD22 4.000 . 6.500 4.936 3.192 6.187 . 0 0 "[ . 1 .]" 1
216 1 21 THR H 1 24 LYS HB2 4.000 . 6.500 6.550 6.522 6.580 0.080 14 0 "[ . 1 .]" 1
217 1 23 ASP H 1 24 LYS HB2 4.000 . 6.500 6.605 6.578 6.657 0.157 8 0 "[ . 1 .]" 1
218 1 24 LYS H 1 24 LYS HB2 3.200 . 4.000 3.514 3.503 3.525 . 0 0 "[ . 1 .]" 1
219 1 24 LYS HB2 1 25 VAL H 4.000 . 6.500 4.315 4.214 4.380 . 0 0 "[ . 1 .]" 1
220 1 24 LYS HB2 1 27 ASN HD21 4.000 . 6.500 3.280 2.529 4.348 . 0 0 "[ . 1 .]" 1
221 1 24 LYS HB2 1 27 ASN HD22 4.000 . 6.500 3.553 2.219 4.564 . 0 0 "[ . 1 .]" 1
222 1 24 LYS H 1 24 LYS HD3 4.000 . 6.500 4.062 3.500 4.684 . 0 0 "[ . 1 .]" 1
223 1 24 LYS HD3 1 25 VAL H 4.000 . 6.500 4.381 3.375 5.598 . 0 0 "[ . 1 .]" 1
224 1 24 LYS HD3 1 26 CYS H 4.000 . 6.500 5.249 4.534 6.504 0.004 1 0 "[ . 1 .]" 1
225 1 24 LYS HD3 1 27 ASN HD21 4.000 . 6.500 4.785 4.166 5.525 . 0 0 "[ . 1 .]" 1
226 1 24 LYS HD3 1 27 ASN HD22 4.000 . 6.500 4.291 3.340 5.085 . 0 0 "[ . 1 .]" 1
227 1 24 LYS H 1 24 LYS HD2 4.000 . 6.500 3.170 2.326 4.250 . 0 0 "[ . 1 .]" 1
228 1 24 LYS HD2 1 25 VAL H 4.000 . 6.500 3.315 2.499 4.416 . 0 0 "[ . 1 .]" 1
229 1 24 LYS HD2 1 26 CYS H 4.000 . 6.500 5.079 4.396 5.623 . 0 0 "[ . 1 .]" 1
230 1 24 LYS HD2 1 27 ASN HD21 4.000 . 6.500 5.606 3.534 6.506 0.006 12 0 "[ . 1 .]" 1
231 1 24 LYS HD2 1 27 ASN HD22 4.000 . 6.500 5.319 3.777 6.506 0.006 12 0 "[ . 1 .]" 1
232 1 24 LYS H 1 24 LYS HG3 4.000 . 6.500 1.856 1.786 1.968 0.014 14 0 "[ . 1 .]" 1
233 1 24 LYS HG3 1 25 VAL H 4.000 . 6.500 3.917 3.282 4.472 . 0 0 "[ . 1 .]" 1
234 1 24 LYS H 1 24 LYS HG2 3.200 . 4.000 3.265 2.952 3.412 . 0 0 "[ . 1 .]" 1
235 1 24 LYS HG2 1 25 VAL H 4.000 . 6.500 5.149 4.904 5.364 . 0 0 "[ . 1 .]" 1
236 1 24 LYS H 1 25 VAL H . . 3.000 3.002 2.902 3.092 0.092 7 0 "[ . 1 .]" 1
237 1 25 VAL HA 1 26 CYS HB2 4.000 . 6.500 4.649 4.319 4.800 . 0 0 "[ . 1 .]" 1
238 1 25 VAL HA 1 26 CYS H 2.600 . 3.000 2.161 2.140 2.194 . 0 0 "[ . 1 .]" 1
239 1 25 VAL HA 1 27 ASN H 4.000 . 6.500 3.873 3.509 4.297 . 0 0 "[ . 1 .]" 1
240 1 25 VAL HA 1 37 ASP HB2 4.000 . 6.500 4.795 3.219 5.490 . 0 0 "[ . 1 .]" 1
241 1 24 LYS H 1 25 VAL HB 4.000 . 6.500 5.025 4.797 5.108 . 0 0 "[ . 1 .]" 1
242 1 25 VAL H 1 25 VAL HB 2.600 . 3.000 2.185 2.139 2.244 . 0 0 "[ . 1 .]" 1
243 1 25 VAL HB 1 26 CYS H 4.000 . 6.500 4.356 4.226 4.461 . 0 0 "[ . 1 .]" 1
244 1 25 VAL HB 1 63 LYS HB3 4.000 . 6.500 6.298 5.596 6.529 0.029 6 0 "[ . 1 .]" 1
245 1 25 VAL HB 1 63 LYS HB2 4.000 . 6.500 5.576 4.197 6.503 0.003 13 0 "[ . 1 .]" 1
246 1 25 VAL H 1 26 CYS H 4.000 . 6.500 4.560 4.519 4.608 . 0 0 "[ . 1 .]" 1
247 1 26 CYS HA 1 27 ASN H 3.200 . 4.000 2.744 2.540 2.941 . 0 0 "[ . 1 .]" 1
248 1 26 CYS HA 1 28 MET H 4.000 . 6.500 6.194 5.770 6.473 . 0 0 "[ . 1 .]" 1
249 1 26 CYS H 1 26 CYS HB2 4.000 . 6.500 3.128 3.012 3.216 . 0 0 "[ . 1 .]" 1
250 1 26 CYS HB2 1 27 ASN H 4.000 . 6.500 4.618 4.351 4.667 . 0 0 "[ . 1 .]" 1
251 1 26 CYS H 1 26 CYS HB3 4.000 . 6.500 3.635 3.497 4.064 . 0 0 "[ . 1 .]" 1
252 1 26 CYS HB3 1 27 ASN H 4.000 . 6.500 4.288 4.105 4.443 . 0 0 "[ . 1 .]" 1
253 1 26 CYS HB3 1 43 CYS HB2 4.000 . 6.500 5.749 4.668 6.100 . 0 0 "[ . 1 .]" 1
254 1 27 ASN HA 1 27 ASN HD21 4.000 . 6.500 4.570 4.436 4.626 . 0 0 "[ . 1 .]" 1
255 1 27 ASN HA 1 27 ASN HD22 4.000 . 6.500 5.368 5.302 5.397 . 0 0 "[ . 1 .]" 1
256 1 27 ASN HA 1 28 MET H 4.000 . 6.500 2.428 2.148 2.674 . 0 0 "[ . 1 .]" 1
257 1 27 ASN HA 1 29 ALA H 4.000 . 6.500 4.310 4.066 4.481 . 0 0 "[ . 1 .]" 1
258 1 27 ASN HB3 1 27 ASN HD21 3.200 . 4.000 2.816 2.550 3.116 . 0 0 "[ . 1 .]" 1
259 1 27 ASN HB3 1 27 ASN HD22 4.000 . 6.500 3.732 3.610 3.873 . 0 0 "[ . 1 .]" 1
260 1 27 ASN H 1 27 ASN HB3 4.000 . 6.500 2.807 2.527 3.063 . 0 0 "[ . 1 .]" 1
261 1 27 ASN HB3 1 28 MET H 4.000 . 6.500 3.791 3.432 4.251 . 0 0 "[ . 1 .]" 1
262 1 27 ASN HB3 1 29 ALA H 4.000 . 6.500 4.451 4.072 4.888 . 0 0 "[ . 1 .]" 1
263 1 26 CYS H 1 27 ASN HB2 4.000 . 6.500 6.248 6.088 6.340 . 0 0 "[ . 1 .]" 1
264 1 27 ASN HB2 1 27 ASN HD22 4.000 . 6.500 3.514 3.440 3.601 . 0 0 "[ . 1 .]" 1
265 1 27 ASN H 1 27 ASN HB2 3.200 . 4.000 3.647 3.569 3.763 . 0 0 "[ . 1 .]" 1
266 1 27 ASN HD22 1 29 ALA H 4.000 . 6.500 3.862 2.818 4.426 . 0 0 "[ . 1 .]" 1
267 1 26 CYS H 1 27 ASN H 4.000 . 6.500 2.780 2.519 3.013 . 0 0 "[ . 1 .]" 1
268 1 27 ASN H 1 28 MET H 4.000 . 6.500 4.496 4.447 4.544 . 0 0 "[ . 1 .]" 1
269 1 27 ASN H 1 29 ALA H 4.000 . 6.500 4.981 4.543 5.161 . 0 0 "[ . 1 .]" 1
270 1 27 ASN H 1 28 MET HA 4.000 . 6.500 5.536 5.460 5.669 . 0 0 "[ . 1 .]" 1
271 1 28 MET HA 1 28 MET HG3 3.200 . 4.000 2.989 2.185 3.851 . 0 0 "[ . 1 .]" 1
272 1 28 MET HA 1 28 MET HG2 4.000 . 6.500 3.364 2.293 4.185 . 0 0 "[ . 1 .]" 1
273 1 28 MET HA 1 29 ALA H 3.200 . 4.000 3.500 3.395 3.578 . 0 0 "[ . 1 .]" 1
274 1 28 MET H 1 28 MET HB3 4.000 . 6.500 3.060 2.496 3.630 . 0 0 "[ . 1 .]" 1
275 1 28 MET HB3 1 29 ALA H 3.200 . 4.000 3.353 2.382 4.025 0.025 1 0 "[ . 1 .]" 1
276 1 28 MET H 1 28 MET HB2 4.000 . 6.500 2.718 2.194 3.637 . 0 0 "[ . 1 .]" 1
277 1 28 MET HB2 1 29 ALA H 4.000 . 6.500 3.506 2.636 4.036 . 0 0 "[ . 1 .]" 1
278 1 28 MET H 1 28 MET HG3 4.000 . 6.500 3.654 1.999 4.584 . 0 0 "[ . 1 .]" 1
279 1 28 MET H 1 28 MET HG2 4.000 . 6.500 3.606 2.030 4.716 . 0 0 "[ . 1 .]" 1
280 1 28 MET H 1 29 ALA H 3.200 . 4.000 2.735 2.225 3.319 . 0 0 "[ . 1 .]" 1
281 1 29 ALA HA 1 30 ARG H 4.000 . 6.500 2.354 2.137 2.479 . 0 0 "[ . 1 .]" 1
282 1 29 ALA HA 1 35 TRP HH2 4.000 . 6.500 5.508 4.539 6.521 0.021 8 0 "[ . 1 .]" 1
283 1 29 ALA HA 1 35 TRP HZ3 4.000 . 6.500 6.140 5.044 6.506 0.006 14 0 "[ . 1 .]" 1
284 1 30 ARG HA 1 30 ARG HG3 4.000 . 6.500 2.927 2.054 3.609 . 0 0 "[ . 1 .]" 1
285 1 30 ARG HA 1 30 ARG HG2 4.000 . 6.500 2.723 2.024 3.891 . 0 0 "[ . 1 .]" 1
286 1 30 ARG HA 1 31 ASP H 3.200 . 4.000 2.192 2.146 2.214 . 0 0 "[ . 1 .]" 1
287 1 30 ARG HA 1 32 CYS H 4.000 . 6.500 3.918 3.616 4.931 . 0 0 "[ . 1 .]" 1
288 1 30 ARG HD3 1 32 CYS H 4.000 . 6.500 5.166 3.698 5.927 . 0 0 "[ . 1 .]" 1
289 1 30 ARG HD3 1 35 TRP HD1 4.000 . 6.500 4.295 3.019 5.608 . 0 0 "[ . 1 .]" 1
290 1 30 ARG HD3 1 35 TRP HE1 4.000 . 6.500 2.688 1.962 5.019 . 0 0 "[ . 1 .]" 1
291 1 30 ARG HD3 1 35 TRP HE3 4.000 . 6.500 6.081 4.989 6.506 0.006 1 0 "[ . 1 .]" 1
292 1 30 ARG HD3 1 35 TRP HH2 4.000 . 6.500 5.151 4.200 6.512 0.012 4 0 "[ . 1 .]" 1
293 1 30 ARG HD3 1 35 TRP H 4.000 . 6.500 5.778 4.020 6.537 0.037 4 0 "[ . 1 .]" 1
294 1 30 ARG HD3 1 35 TRP HZ2 4.000 . 6.500 3.268 1.995 5.677 . 0 0 "[ . 1 .]" 1
295 1 30 ARG HD2 1 32 CYS H 4.000 . 6.500 4.208 2.254 5.707 . 0 0 "[ . 1 .]" 1
296 1 30 ARG HD2 1 35 TRP HD1 4.000 . 6.500 4.032 3.009 6.502 0.002 3 0 "[ . 1 .]" 1
297 1 30 ARG HD2 1 35 TRP HE1 4.000 . 6.500 3.033 1.964 5.213 . 0 0 "[ . 1 .]" 1
298 1 30 ARG HD2 1 35 TRP HE3 4.000 . 6.500 6.143 4.145 6.512 0.012 5 0 "[ . 1 .]" 1
299 1 30 ARG HD2 1 35 TRP HH2 4.000 . 6.500 5.836 4.793 6.509 0.009 13 0 "[ . 1 .]" 1
300 1 30 ARG HD2 1 35 TRP H 4.000 . 6.500 5.043 4.003 6.411 . 0 0 "[ . 1 .]" 1
301 1 30 ARG HD2 1 35 TRP HZ2 4.000 . 6.500 4.194 3.455 5.549 . 0 0 "[ . 1 .]" 1
302 1 30 ARG HG3 1 31 ASP H 4.000 . 6.500 3.880 2.636 5.265 . 0 0 "[ . 1 .]" 1
303 1 30 ARG HG3 1 32 CYS H 4.000 . 6.500 4.502 2.844 6.456 . 0 0 "[ . 1 .]" 1
304 1 30 ARG HG3 1 35 TRP HD1 4.000 . 6.500 4.812 3.497 6.368 . 0 0 "[ . 1 .]" 1
305 1 30 ARG HG3 1 35 TRP HE1 4.000 . 6.500 3.612 2.051 6.024 . 0 0 "[ . 1 .]" 1
306 1 30 ARG HG3 1 35 TRP HE3 4.000 . 6.500 5.277 3.202 6.516 0.016 2 0 "[ . 1 .]" 1
307 1 30 ARG HG3 1 35 TRP HZ2 4.000 . 6.500 3.413 2.125 6.503 0.003 8 0 "[ . 1 .]" 1
308 1 30 ARG HG2 1 31 ASP H 4.000 . 6.500 3.267 2.177 5.336 . 0 0 "[ . 1 .]" 1
309 1 30 ARG HG2 1 32 CYS H 4.000 . 6.500 3.732 2.187 5.957 . 0 0 "[ . 1 .]" 1
310 1 30 ARG HG2 1 35 TRP HD1 4.000 . 6.500 4.909 3.903 5.894 . 0 0 "[ . 1 .]" 1
311 1 30 ARG HG2 1 35 TRP HE1 4.000 . 6.500 4.048 2.810 5.185 . 0 0 "[ . 1 .]" 1
312 1 30 ARG HG2 1 35 TRP HE3 4.000 . 6.500 5.461 4.035 6.501 0.001 7 0 "[ . 1 .]" 1
313 1 30 ARG HG2 1 35 TRP HZ2 4.000 . 6.500 4.100 2.251 6.532 0.032 4 0 "[ . 1 .]" 1
314 1 31 ASP HA 1 32 CYS H 4.000 . 6.500 3.486 3.350 3.569 . 0 0 "[ . 1 .]" 1
315 1 31 ASP H 1 31 ASP HB3 4.000 . 6.500 3.385 2.664 3.626 . 0 0 "[ . 1 .]" 1
316 1 31 ASP HB3 1 32 CYS H 4.000 . 6.500 3.343 1.975 4.160 . 0 0 "[ . 1 .]" 1
317 1 31 ASP H 1 31 ASP HB2 4.000 . 6.500 2.517 2.322 3.593 . 0 0 "[ . 1 .]" 1
318 1 31 ASP HB2 1 32 CYS H 4.000 . 6.500 3.256 2.696 3.645 . 0 0 "[ . 1 .]" 1
319 1 31 ASP H 1 32 CYS H 3.200 . 4.000 2.040 1.825 2.758 . 0 0 "[ . 1 .]" 1
320 1 32 CYS HA 1 33 ARG H 4.000 . 6.500 2.510 2.177 2.784 . 0 0 "[ . 1 .]" 1
321 1 32 CYS HA 1 34 ASP H 4.000 . 6.500 4.445 3.985 4.781 . 0 0 "[ . 1 .]" 1
322 1 16 SER H 1 32 CYS HB3 4.000 . 6.500 4.649 4.007 5.904 . 0 0 "[ . 1 .]" 1
323 1 32 CYS H 1 32 CYS HB3 4.000 . 6.500 3.783 3.584 3.930 . 0 0 "[ . 1 .]" 1
324 1 32 CYS HB3 1 33 ARG H 4.000 . 6.500 2.330 1.972 3.174 . 0 0 "[ . 1 .]" 1
325 1 32 CYS HB3 1 34 ASP H 4.000 . 6.500 2.906 2.371 3.764 . 0 0 "[ . 1 .]" 1
326 1 32 CYS HB3 1 35 TRP H 4.000 . 6.500 3.291 2.657 4.127 . 0 0 "[ . 1 .]" 1
327 1 32 CYS HB3 1 36 SER H 4.000 . 6.500 3.997 2.754 5.645 . 0 0 "[ . 1 .]" 1
328 1 32 CYS HB3 1 37 ASP H 4.000 . 6.500 4.617 3.525 6.508 0.008 4 0 "[ . 1 .]" 1
329 1 16 SER H 1 32 CYS HB2 4.000 . 6.500 5.637 4.659 6.504 0.004 14 0 "[ . 1 .]" 1
330 1 32 CYS H 1 32 CYS HB2 4.000 . 6.500 2.751 2.464 2.999 . 0 0 "[ . 1 .]" 1
331 1 32 CYS HB2 1 33 ARG H 4.000 . 6.500 3.421 2.613 4.097 . 0 0 "[ . 1 .]" 1
332 1 32 CYS HB2 1 34 ASP HB2 4.000 . 6.500 4.530 3.936 5.394 . 0 0 "[ . 1 .]" 1
333 1 32 CYS HB2 1 34 ASP H 4.000 . 6.500 3.521 2.830 4.410 . 0 0 "[ . 1 .]" 1
334 1 32 CYS HB2 1 35 TRP H 4.000 . 6.500 2.693 2.224 3.305 . 0 0 "[ . 1 .]" 1
335 1 32 CYS HB2 1 36 SER H 4.000 . 6.500 3.253 2.413 3.972 . 0 0 "[ . 1 .]" 1
336 1 32 CYS HB2 1 37 ASP H 4.000 . 6.500 3.357 2.366 4.857 . 0 0 "[ . 1 .]" 1
337 1 32 CYS H 1 35 TRP H 4.000 . 6.500 3.927 2.754 4.413 . 0 0 "[ . 1 .]" 1
338 1 33 ARG HA 1 33 ARG HG3 3.200 . 4.000 2.738 2.028 3.731 . 0 0 "[ . 1 .]" 1
339 1 33 ARG HA 1 33 ARG HG2 4.000 . 6.500 3.103 2.193 3.739 . 0 0 "[ . 1 .]" 1
340 1 33 ARG HA 1 34 ASP H 4.000 . 6.500 3.520 3.476 3.555 . 0 0 "[ . 1 .]" 1
341 1 33 ARG HA 1 35 TRP H 4.000 . 6.500 3.999 3.835 4.251 . 0 0 "[ . 1 .]" 1
342 1 33 ARG H 1 33 ARG HB3 4.000 . 6.500 3.221 2.471 3.676 . 0 0 "[ . 1 .]" 1
343 1 33 ARG HB3 1 34 ASP H 4.000 . 6.500 3.196 2.520 3.984 . 0 0 "[ . 1 .]" 1
344 1 33 ARG HB3 1 35 TRP H 4.000 . 6.500 5.019 4.594 5.471 . 0 0 "[ . 1 .]" 1
345 1 33 ARG H 1 33 ARG HB2 4.000 . 6.500 2.386 2.131 2.791 . 0 0 "[ . 1 .]" 1
346 1 33 ARG HB2 1 34 ASP H 4.000 . 6.500 3.189 2.547 4.033 . 0 0 "[ . 1 .]" 1
347 1 33 ARG HB2 1 35 TRP H 4.000 . 6.500 5.064 4.481 5.686 . 0 0 "[ . 1 .]" 1
348 1 33 ARG H 1 34 ASP H 4.000 . 6.500 2.461 2.186 2.775 . 0 0 "[ . 1 .]" 1
349 1 34 ASP HA 1 35 TRP HD1 4.000 . 6.500 3.463 2.769 4.370 . 0 0 "[ . 1 .]" 1
350 1 34 ASP HA 1 35 TRP H 4.000 . 6.500 3.317 2.809 3.462 . 0 0 "[ . 1 .]" 1
351 1 34 ASP H 1 34 ASP HB2 4.000 . 6.500 2.404 2.186 2.765 . 0 0 "[ . 1 .]" 1
352 1 34 ASP HB2 1 35 TRP H 4.000 . 6.500 3.465 3.074 4.207 . 0 0 "[ . 1 .]" 1
353 1 34 ASP H 1 34 ASP HB3 4.000 . 6.500 3.580 3.484 3.812 . 0 0 "[ . 1 .]" 1
354 1 34 ASP HB3 1 35 TRP H 4.000 . 6.500 4.078 3.646 4.513 . 0 0 "[ . 1 .]" 1
355 1 34 ASP H 1 35 TRP H 4.000 . 6.500 2.417 2.147 2.730 . 0 0 "[ . 1 .]" 1
356 1 32 CYS H 1 35 TRP HA 4.000 . 6.500 3.500 2.102 4.075 . 0 0 "[ . 1 .]" 1
357 1 35 TRP HA 1 35 TRP HD1 4.000 . 6.500 3.624 3.309 4.160 . 0 0 "[ . 1 .]" 1
358 1 35 TRP HA 1 35 TRP HE3 4.000 . 6.500 4.013 3.697 4.638 . 0 0 "[ . 1 .]" 1
359 1 35 TRP HA 1 37 ASP H 4.000 . 6.500 3.289 3.003 3.459 . 0 0 "[ . 1 .]" 1
360 1 35 TRP HA 1 38 GLU H 4.000 . 6.500 3.276 2.844 4.620 . 0 0 "[ . 1 .]" 1
361 1 35 TRP HB3 1 35 TRP HE3 3.200 . 4.000 2.593 2.400 3.709 . 0 0 "[ . 1 .]" 1
362 1 35 TRP H 1 35 TRP HB3 4.000 . 6.500 3.903 2.646 4.116 . 0 0 "[ . 1 .]" 1
363 1 35 TRP HB3 1 38 GLU H 4.000 . 6.500 4.081 3.466 5.821 . 0 0 "[ . 1 .]" 1
364 1 35 TRP HB2 1 35 TRP HE3 4.000 . 6.500 3.711 2.380 4.043 . 0 0 "[ . 1 .]" 1
365 1 35 TRP H 1 35 TRP HB2 4.000 . 6.500 3.484 3.305 3.751 . 0 0 "[ . 1 .]" 1
366 1 35 TRP HB2 1 38 GLU H 4.000 . 6.500 4.943 4.171 5.386 . 0 0 "[ . 1 .]" 1
367 1 35 TRP H 1 35 TRP HD1 4.000 . 6.500 2.951 2.692 3.413 . 0 0 "[ . 1 .]" 1
368 1 35 TRP HD1 1 38 GLU H 4.000 . 6.500 6.524 6.505 6.544 0.044 3 0 "[ . 1 .]" 1
369 1 35 TRP H 1 35 TRP HE1 4.000 . 6.500 5.118 4.638 5.953 . 0 0 "[ . 1 .]" 1
370 1 35 TRP H 1 35 TRP HE3 4.000 . 6.500 5.847 5.500 6.034 . 0 0 "[ . 1 .]" 1
371 1 35 TRP HE3 1 38 GLU H 4.000 . 6.500 4.448 3.942 4.698 . 0 0 "[ . 1 .]" 1
372 1 35 TRP HZ3 1 38 GLU H 4.000 . 6.500 6.249 5.214 6.517 0.017 2 0 "[ . 1 .]" 1
373 1 15 HIS HD2 1 36 SER HA 4.000 . 6.500 5.208 3.510 6.548 0.048 11 0 "[ . 1 .]" 1
374 1 35 TRP H 1 36 SER HA 4.000 . 6.500 5.257 5.077 5.641 . 0 0 "[ . 1 .]" 1
375 1 36 SER HA 1 37 ASP H 4.000 . 6.500 3.451 3.344 3.484 . 0 0 "[ . 1 .]" 1
376 1 36 SER HA 1 38 GLU H 4.000 . 6.500 4.111 3.356 4.475 . 0 0 "[ . 1 .]" 1
377 1 15 HIS HD2 1 36 SER HB3 4.000 . 6.500 4.412 3.038 6.498 . 0 0 "[ . 1 .]" 1
378 1 36 SER H 1 36 SER HB3 4.000 . 6.500 2.875 2.258 3.768 . 0 0 "[ . 1 .]" 1
379 1 36 SER HB3 1 38 GLU H 4.000 . 6.500 5.407 4.940 5.897 . 0 0 "[ . 1 .]" 1
380 1 15 HIS HD2 1 36 SER HB2 4.000 . 6.500 4.006 1.998 6.059 . 0 0 "[ . 1 .]" 1
381 1 36 SER H 1 36 SER HB2 4.000 . 6.500 2.838 2.101 3.596 . 0 0 "[ . 1 .]" 1
382 1 36 SER HB2 1 38 GLU H 4.000 . 6.500 5.527 4.963 6.082 . 0 0 "[ . 1 .]" 1
383 1 35 TRP H 1 36 SER H 4.000 . 6.500 2.759 2.546 3.787 . 0 0 "[ . 1 .]" 1
384 1 36 SER H 1 37 ASP H 4.000 . 6.500 2.515 1.976 2.629 . 0 0 "[ . 1 .]" 1
385 1 12 PHE HZ 1 37 ASP HA 4.000 . 6.500 2.807 1.974 4.214 . 0 0 "[ . 1 .]" 1
386 1 26 CYS HB2 1 37 ASP HA 4.000 . 6.500 5.967 5.171 6.496 . 0 0 "[ . 1 .]" 1
387 1 26 CYS H 1 37 ASP HA 4.000 . 6.500 4.729 3.945 5.701 . 0 0 "[ . 1 .]" 1
388 1 31 ASP HB3 1 37 ASP HA 4.000 . 6.500 6.324 5.492 6.575 0.075 15 0 "[ . 1 .]" 1
389 1 31 ASP HB2 1 37 ASP HA 4.000 . 6.500 6.206 4.956 6.534 0.034 14 0 "[ . 1 .]" 1
390 1 36 SER HA 1 37 ASP HA 4.000 . 6.500 4.713 4.627 4.769 . 0 0 "[ . 1 .]" 1
391 1 37 ASP HA 1 38 GLU H 4.000 . 6.500 3.471 3.337 3.543 . 0 0 "[ . 1 .]" 1
392 1 37 ASP H 1 37 ASP HB3 4.000 . 6.500 2.590 2.375 3.296 . 0 0 "[ . 1 .]" 1
393 1 37 ASP HB3 1 38 GLU H 4.000 . 6.500 3.189 2.698 4.415 . 0 0 "[ . 1 .]" 1
394 1 26 CYS H 1 37 ASP HB2 4.000 . 6.500 4.798 3.415 5.428 . 0 0 "[ . 1 .]" 1
395 1 37 ASP H 1 37 ASP HB2 4.000 . 6.500 2.819 2.082 3.617 . 0 0 "[ . 1 .]" 1
396 1 37 ASP HB2 1 38 GLU H 4.000 . 6.500 3.991 3.312 4.181 . 0 0 "[ . 1 .]" 1
397 1 35 TRP H 1 37 ASP H 4.000 . 6.500 4.327 3.989 5.362 . 0 0 "[ . 1 .]" 1
398 1 37 ASP H 1 38 GLU H 3.200 . 4.000 2.426 2.210 2.592 . 0 0 "[ . 1 .]" 1
399 1 35 TRP HE3 1 38 GLU HA 4.000 . 6.500 5.114 4.425 5.677 . 0 0 "[ . 1 .]" 1
400 1 38 GLU HA 1 39 PRO HD3 4.000 . 6.500 3.027 2.959 3.098 . 0 0 "[ . 1 .]" 1
401 1 38 GLU HA 1 39 PRO HD2 3.200 . 4.000 2.255 2.200 2.325 . 0 0 "[ . 1 .]" 1
402 1 35 TRP HE3 1 38 GLU HB2 4.000 . 6.500 2.474 1.998 3.007 . 0 0 "[ . 1 .]" 1
403 1 35 TRP HZ3 1 38 GLU HB2 4.000 . 6.500 3.773 2.845 4.227 . 0 0 "[ . 1 .]" 1
404 1 37 ASP H 1 38 GLU HB2 4.000 . 6.500 4.779 4.452 5.153 . 0 0 "[ . 1 .]" 1
405 1 38 GLU H 1 38 GLU HB2 4.000 . 6.500 2.583 2.381 2.763 . 0 0 "[ . 1 .]" 1
406 1 35 TRP HE3 1 38 GLU HB3 3.200 . 4.000 3.361 2.545 4.008 0.008 8 0 "[ . 1 .]" 1
407 1 35 TRP HZ3 1 38 GLU HB3 4.000 . 6.500 3.744 2.531 4.557 . 0 0 "[ . 1 .]" 1
408 1 37 ASP H 1 38 GLU HB3 4.000 . 6.500 6.047 5.828 6.241 . 0 0 "[ . 1 .]" 1
409 1 38 GLU H 1 38 GLU HB3 3.200 . 4.000 3.694 3.618 3.736 . 0 0 "[ . 1 .]" 1
410 1 39 PRO HA 1 40 ILE H 2.600 . 3.000 2.254 2.229 2.289 . 0 0 "[ . 1 .]" 1
411 1 39 PRO HA 1 41 LYS H 4.000 . 6.500 3.706 3.433 3.817 . 0 0 "[ . 1 .]" 1
412 1 39 PRO HA 1 42 GLU H 4.000 . 6.500 3.983 3.831 4.068 . 0 0 "[ . 1 .]" 1
413 1 39 PRO HA 1 43 CYS H 4.000 . 6.500 5.229 4.988 5.604 . 0 0 "[ . 1 .]" 1
414 1 38 GLU H 1 39 PRO HB3 4.000 . 6.500 5.372 5.291 5.426 . 0 0 "[ . 1 .]" 1
415 1 39 PRO HB3 1 40 ILE H 4.000 . 6.500 4.418 4.366 4.470 . 0 0 "[ . 1 .]" 1
416 1 39 PRO HB3 1 42 GLU H 4.000 . 6.500 3.988 3.852 4.100 . 0 0 "[ . 1 .]" 1
417 1 38 GLU H 1 39 PRO HB2 4.000 . 6.500 6.522 6.497 6.547 0.047 15 0 "[ . 1 .]" 1
418 1 39 PRO HB2 1 40 ILE H 4.000 . 6.500 4.061 4.023 4.115 . 0 0 "[ . 1 .]" 1
419 1 39 PRO HB2 1 42 GLU H 4.000 . 6.500 2.281 2.118 2.372 . 0 0 "[ . 1 .]" 1
420 1 38 GLU H 1 39 PRO HD3 4.000 . 6.500 3.332 3.280 3.377 . 0 0 "[ . 1 .]" 1
421 1 39 PRO HB3 1 39 PRO HD3 4.000 . 6.500 2.958 2.935 2.985 . 0 0 "[ . 1 .]" 1
422 1 39 PRO HB2 1 39 PRO HD3 4.000 . 6.500 3.913 3.896 3.933 . 0 0 "[ . 1 .]" 1
423 1 38 GLU H 1 39 PRO HD2 4.000 . 6.500 4.099 3.998 4.194 . 0 0 "[ . 1 .]" 1
424 1 39 PRO HB3 1 39 PRO HD2 4.000 . 6.500 3.854 3.849 3.860 . 0 0 "[ . 1 .]" 1
425 1 39 PRO HB2 1 39 PRO HD2 4.000 . 6.500 4.048 4.042 4.056 . 0 0 "[ . 1 .]" 1
426 1 39 PRO HG3 1 40 ILE H 4.000 . 6.500 5.798 5.786 5.811 . 0 0 "[ . 1 .]" 1
427 1 38 GLU H 1 39 PRO HG2 4.000 . 6.500 5.962 5.896 6.019 . 0 0 "[ . 1 .]" 1
428 1 39 PRO HG2 1 40 ILE H 4.000 . 6.500 4.949 4.907 5.005 . 0 0 "[ . 1 .]" 1
429 1 40 ILE HA 1 40 ILE HG13 4.000 . 6.500 3.182 3.104 3.785 . 0 0 "[ . 1 .]" 1
430 1 40 ILE HA 1 40 ILE HG12 2.600 . 3.000 2.543 2.523 2.684 . 0 0 "[ . 1 .]" 1
431 1 40 ILE HA 1 41 LYS H 4.000 . 6.500 3.547 3.492 3.577 . 0 0 "[ . 1 .]" 1
432 1 40 ILE HA 1 42 GLU H 4.000 . 6.500 4.237 4.120 4.439 . 0 0 "[ . 1 .]" 1
433 1 40 ILE HA 1 43 CYS HB3 4.000 . 6.500 3.925 3.648 4.270 . 0 0 "[ . 1 .]" 1
434 1 40 ILE HA 1 43 CYS HB2 4.000 . 6.500 2.418 2.117 2.772 . 0 0 "[ . 1 .]" 1
435 1 40 ILE HA 1 43 CYS H 4.000 . 6.500 3.446 3.227 3.745 . 0 0 "[ . 1 .]" 1
436 1 40 ILE H 1 40 ILE HB 2.600 . 3.000 2.679 2.660 2.709 . 0 0 "[ . 1 .]" 1
437 1 40 ILE H 1 40 ILE HG13 3.200 . 4.000 1.991 1.906 3.001 . 0 0 "[ . 1 .]" 1
438 1 40 ILE HG13 1 41 LYS H 4.000 . 6.500 4.177 4.082 4.539 . 0 0 "[ . 1 .]" 1
439 1 40 ILE HG13 1 42 GLU H 4.000 . 6.500 5.906 5.786 6.541 0.041 9 0 "[ . 1 .]" 1
440 1 40 ILE H 1 40 ILE HG12 3.200 . 4.000 2.971 1.901 3.105 . 0 0 "[ . 1 .]" 1
441 1 40 ILE HG12 1 41 LYS H 4.000 . 6.500 4.885 4.253 5.020 . 0 0 "[ . 1 .]" 1
442 1 40 ILE HG12 1 42 GLU H 4.000 . 6.500 6.306 5.711 6.502 0.002 5 0 "[ . 1 .]" 1
443 1 40 ILE H 1 41 LYS H 4.000 . 6.500 2.881 2.833 2.918 . 0 0 "[ . 1 .]" 1
444 1 40 ILE H 1 41 LYS HA 4.000 . 6.500 5.438 5.394 5.465 . 0 0 "[ . 1 .]" 1
445 1 41 LYS HA 1 41 LYS HG3 3.200 . 4.000 2.693 2.116 3.746 . 0 0 "[ . 1 .]" 1
446 1 41 LYS HA 1 41 LYS HG2 4.000 . 6.500 3.049 2.305 4.211 . 0 0 "[ . 1 .]" 1
447 1 41 LYS HA 1 42 GLU H 4.000 . 6.500 3.488 3.466 3.532 . 0 0 "[ . 1 .]" 1
448 1 41 LYS H 1 41 LYS HG3 4.000 . 6.500 3.882 2.083 4.570 . 0 0 "[ . 1 .]" 1
449 1 41 LYS HG3 1 42 GLU H 4.000 . 6.500 4.682 2.217 5.340 . 0 0 "[ . 1 .]" 1
450 1 41 LYS H 1 41 LYS HG2 4.000 . 6.500 4.183 2.040 4.652 . 0 0 "[ . 1 .]" 1
451 1 41 LYS HG2 1 42 GLU H 4.000 . 6.500 4.529 2.817 5.408 . 0 0 "[ . 1 .]" 1
452 1 41 LYS H 1 42 GLU H 4.000 . 6.500 2.536 2.394 2.658 . 0 0 "[ . 1 .]" 1
453 1 41 LYS H 1 43 CYS H 4.000 . 6.500 3.868 3.750 3.930 . 0 0 "[ . 1 .]" 1
454 1 42 GLU HA 1 42 GLU HG3 4.000 . 6.500 3.180 2.301 3.894 . 0 0 "[ . 1 .]" 1
455 1 42 GLU HA 1 42 GLU HG2 3.200 . 4.000 3.015 2.053 4.020 0.020 13 0 "[ . 1 .]" 1
456 1 42 GLU HA 1 43 CYS H 4.000 . 6.500 3.286 3.278 3.349 . 0 0 "[ . 1 .]" 1
457 1 42 GLU HA 1 45 THR HB 4.000 . 6.500 3.594 3.212 3.869 . 0 0 "[ . 1 .]" 1
458 1 42 GLU HA 1 45 THR H 4.000 . 6.500 4.128 3.752 4.393 . 0 0 "[ . 1 .]" 1
459 1 41 LYS H 1 42 GLU HG3 4.000 . 6.500 5.584 4.496 6.526 0.026 9 0 "[ . 1 .]" 1
460 1 42 GLU H 1 42 GLU HG3 4.000 . 6.500 3.606 2.786 4.418 . 0 0 "[ . 1 .]" 1
461 1 42 GLU HG3 1 43 CYS H 4.000 . 6.500 5.125 3.732 5.770 . 0 0 "[ . 1 .]" 1
462 1 42 GLU HG3 1 65 GLY H 4.000 . 6.500 5.565 4.647 6.486 . 0 0 "[ . 1 .]" 1
463 1 41 LYS H 1 42 GLU HG2 4.000 . 6.500 5.555 3.815 6.578 0.078 13 0 "[ . 1 .]" 1
464 1 42 GLU H 1 42 GLU HG2 4.000 . 6.500 3.550 2.161 4.471 . 0 0 "[ . 1 .]" 1
465 1 42 GLU HG2 1 43 CYS H 4.000 . 6.500 5.082 4.313 5.815 . 0 0 "[ . 1 .]" 1
466 1 42 GLU HG2 1 65 GLY H 4.000 . 6.500 5.539 3.398 6.505 0.005 7 0 "[ . 1 .]" 1
467 1 43 CYS HA 1 44 GLY H 4.000 . 6.500 2.526 2.131 3.576 . 0 0 "[ . 1 .]" 1
468 1 43 CYS H 1 43 CYS HB3 3.200 . 4.000 3.541 3.481 3.648 . 0 0 "[ . 1 .]" 1
469 1 43 CYS HB3 1 44 GLY H 4.000 . 6.500 3.339 2.836 3.721 . 0 0 "[ . 1 .]" 1
470 1 43 CYS HB3 1 45 THR H 4.000 . 6.500 4.954 4.887 5.113 . 0 0 "[ . 1 .]" 1
471 1 43 CYS H 1 43 CYS HB2 3.200 . 4.000 2.286 2.177 2.427 . 0 0 "[ . 1 .]" 1
472 1 43 CYS HB2 1 44 GLY H 4.000 . 6.500 3.895 2.348 4.534 . 0 0 "[ . 1 .]" 1
473 1 43 CYS HB2 1 45 THR H 4.000 . 6.500 5.070 4.867 5.162 . 0 0 "[ . 1 .]" 1
474 1 43 CYS H 1 44 GLY H 4.000 . 6.500 3.932 2.477 4.465 . 0 0 "[ . 1 .]" 1
475 1 43 CYS H 1 45 THR H 4.000 . 4.000 4.044 4.013 4.089 0.089 14 0 "[ . 1 .]" 1
476 1 44 GLY H 1 45 THR H 4.000 . 6.500 2.786 2.627 3.103 . 0 0 "[ . 1 .]" 1
477 1 43 CYS H 1 45 THR HA 4.000 . 6.500 5.829 5.711 5.978 . 0 0 "[ . 1 .]" 1
478 1 45 THR HA 1 46 ASN H 2.600 . 3.000 2.199 2.177 2.253 . 0 0 "[ . 1 .]" 1
479 1 45 THR HA 1 47 GLU H 4.000 . 6.500 4.446 3.988 4.806 . 0 0 "[ . 1 .]" 1
480 1 45 THR H 1 45 THR HB 2.600 . 3.000 3.009 2.973 3.069 0.069 14 0 "[ . 1 .]" 1
481 1 45 THR HB 1 46 ASN H 4.000 . 6.500 3.935 3.328 4.154 . 0 0 "[ . 1 .]" 1
482 1 45 THR H 1 46 ASN H 4.000 . 6.500 4.357 4.270 4.580 . 0 0 "[ . 1 .]" 1
483 1 46 ASN HA 1 46 ASN HD21 4.000 . 6.500 2.344 2.127 2.490 . 0 0 "[ . 1 .]" 1
484 1 46 ASN HA 1 46 ASN HD22 4.000 . 6.500 3.710 3.576 3.787 . 0 0 "[ . 1 .]" 1
485 1 46 ASN HA 1 47 GLU H 2.600 . 3.000 2.495 2.405 2.870 . 0 0 "[ . 1 .]" 1
486 1 46 ASN HA 1 48 CYS H 4.000 . 6.500 3.379 3.253 3.491 . 0 0 "[ . 1 .]" 1
487 1 46 ASN HA 1 49 LEU H 4.000 . 6.500 4.529 4.299 4.693 . 0 0 "[ . 1 .]" 1
488 1 45 THR H 1 46 ASN HB3 4.000 . 6.500 6.551 6.512 6.565 0.065 4 0 "[ . 1 .]" 1
489 1 46 ASN HB3 1 46 ASN HD22 4.000 . 6.500 4.096 4.092 4.099 . 0 0 "[ . 1 .]" 1
490 1 46 ASN H 1 46 ASN HB3 4.000 . 6.500 2.466 2.366 2.701 . 0 0 "[ . 1 .]" 1
491 1 46 ASN HB3 1 47 GLU H 4.000 . 6.500 4.423 4.116 4.480 . 0 0 "[ . 1 .]" 1
492 1 45 THR H 1 46 ASN HB2 4.000 . 6.500 6.008 5.710 6.154 . 0 0 "[ . 1 .]" 1
493 1 46 ASN HB2 1 46 ASN HD21 3.200 . 4.000 2.493 2.417 2.600 . 0 0 "[ . 1 .]" 1
494 1 46 ASN HB2 1 46 ASN HD22 4.000 . 6.500 3.585 3.554 3.633 . 0 0 "[ . 1 .]" 1
495 1 46 ASN H 1 46 ASN HB2 4.000 . 6.500 2.845 2.701 3.228 . 0 0 "[ . 1 .]" 1
496 1 46 ASN HB2 1 47 GLU H 4.000 . 6.500 4.612 4.573 4.632 . 0 0 "[ . 1 .]" 1
497 1 46 ASN HD21 1 49 LEU H 4.000 . 6.500 3.644 3.494 3.828 . 0 0 "[ . 1 .]" 1
498 1 46 ASN HD22 1 48 CYS H 4.000 . 6.500 4.611 4.238 4.810 . 0 0 "[ . 1 .]" 1
499 1 46 ASN HD22 1 49 LEU H 4.000 . 6.500 2.792 2.709 2.957 . 0 0 "[ . 1 .]" 1
500 1 46 ASN H 1 47 GLU H 4.000 . 6.500 3.507 2.430 3.793 . 0 0 "[ . 1 .]" 1
501 1 47 GLU HA 1 48 CYS H 4.000 . 6.500 3.489 3.455 3.505 . 0 0 "[ . 1 .]" 1
502 1 47 GLU HA 1 49 LEU H 4.000 . 6.500 5.301 5.259 5.405 . 0 0 "[ . 1 .]" 1
503 1 47 GLU HA 1 50 ASP H 4.000 . 6.500 3.616 3.567 3.703 . 0 0 "[ . 1 .]" 1
504 1 47 GLU H 1 47 GLU HB3 4.000 . 6.500 3.603 3.570 3.616 . 0 0 "[ . 1 .]" 1
505 1 47 GLU HB3 1 48 CYS H 4.000 . 6.500 3.943 3.758 4.106 . 0 0 "[ . 1 .]" 1
506 1 47 GLU H 1 47 GLU HB2 2.600 . 3.000 2.529 2.353 2.616 . 0 0 "[ . 1 .]" 1
507 1 47 GLU HB2 1 48 CYS H 4.000 . 6.500 2.917 2.854 3.061 . 0 0 "[ . 1 .]" 1
508 1 47 GLU H 1 48 CYS H 4.000 . 6.500 2.492 2.401 2.947 . 0 0 "[ . 1 .]" 1
509 1 46 ASN HD21 1 48 CYS HA 4.000 . 6.500 6.376 6.136 6.502 0.002 7 0 "[ . 1 .]" 1
510 1 46 ASN HD22 1 48 CYS HA 4.000 . 6.500 6.119 5.860 6.257 . 0 0 "[ . 1 .]" 1
511 1 47 GLU H 1 48 CYS HA 4.000 . 6.500 5.060 4.978 5.451 . 0 0 "[ . 1 .]" 1
512 1 48 CYS H 1 48 CYS HB2 3.200 . 4.000 2.371 2.338 2.397 . 0 0 "[ . 1 .]" 1
513 1 48 CYS HB2 1 49 LEU H 4.000 . 6.500 1.938 1.917 1.962 . 0 0 "[ . 1 .]" 1
514 1 48 CYS HB2 1 59 CYS H 4.000 . 6.500 4.755 4.448 4.980 . 0 0 "[ . 1 .]" 1
515 1 46 ASN HD21 1 48 CYS HB3 4.000 . 6.500 5.506 5.259 5.722 . 0 0 "[ . 1 .]" 1
516 1 46 ASN HD22 1 48 CYS HB3 4.000 . 6.500 5.065 4.659 5.258 . 0 0 "[ . 1 .]" 1
517 1 47 GLU H 1 48 CYS HB3 4.000 . 6.500 6.019 5.924 6.480 . 0 0 "[ . 1 .]" 1
518 1 48 CYS H 1 48 CYS HB3 3.200 . 4.000 3.563 3.550 3.571 . 0 0 "[ . 1 .]" 1
519 1 48 CYS HB3 1 49 LEU H 4.000 . 6.500 2.642 2.565 2.691 . 0 0 "[ . 1 .]" 1
520 1 48 CYS HB3 1 59 CYS HB2 4.000 . 6.500 3.952 3.730 4.116 . 0 0 "[ . 1 .]" 1
521 1 48 CYS HB3 1 59 CYS H 4.000 . 6.500 3.144 2.930 3.345 . 0 0 "[ . 1 .]" 1
522 1 48 CYS H 1 49 LEU H . . 3.000 3.100 3.083 3.127 0.127 9 0 "[ . 1 .]" 1
523 1 49 LEU HA 1 49 LEU HG 3.200 . 4.000 3.020 2.350 3.290 . 0 0 "[ . 1 .]" 1
524 1 49 LEU HA 1 50 ASP H 4.000 . 6.500 3.354 3.347 3.359 . 0 0 "[ . 1 .]" 1
525 1 49 LEU HA 1 52 ASN H 4.000 . 6.500 5.943 5.898 6.017 . 0 0 "[ . 1 .]" 1
526 1 46 ASN HD21 1 49 LEU HB3 4.000 . 6.500 5.250 5.171 5.642 . 0 0 "[ . 1 .]" 1
527 1 46 ASN HD22 1 49 LEU HB3 4.000 . 6.500 3.564 3.453 4.050 . 0 0 "[ . 1 .]" 1
528 1 48 CYS H 1 49 LEU HB3 4.000 . 6.500 6.463 6.295 6.520 0.020 5 0 "[ . 1 .]" 1
529 1 49 LEU H 1 49 LEU HB3 3.200 . 4.000 3.583 3.511 3.606 . 0 0 "[ . 1 .]" 1
530 1 49 LEU HB3 1 50 ASP H 4.000 . 6.500 4.101 3.838 4.204 . 0 0 "[ . 1 .]" 1
531 1 46 ASN HD21 1 49 LEU HB2 4.000 . 6.500 3.636 3.511 3.925 . 0 0 "[ . 1 .]" 1
532 1 46 ASN HD22 1 49 LEU HB2 4.000 . 6.500 2.011 1.979 2.343 . 0 0 "[ . 1 .]" 1
533 1 48 CYS H 1 49 LEU HB2 4.000 . 6.500 5.108 4.893 5.205 . 0 0 "[ . 1 .]" 1
534 1 49 LEU H 1 49 LEU HB2 3.200 . 4.000 2.531 2.211 2.664 . 0 0 "[ . 1 .]" 1
535 1 49 LEU HB2 1 50 ASP H 4.000 . 6.500 3.287 3.247 3.372 . 0 0 "[ . 1 .]" 1
536 1 49 LEU H 1 49 LEU HG 2.600 . 3.000 2.288 1.997 2.984 . 0 0 "[ . 1 .]" 1
537 1 47 GLU H 1 49 LEU H 4.000 . 6.500 5.052 4.929 5.433 . 0 0 "[ . 1 .]" 1
538 1 48 CYS HB2 1 50 ASP HA 4.000 . 6.500 6.685 6.656 6.702 0.202 10 0 "[ . 1 .]" 1
539 1 48 CYS HB3 1 50 ASP HA 4.000 . 7.000 7.174 7.161 7.185 0.185 3 0 "[ . 1 .]" 1
540 1 48 CYS H 1 50 ASP HB3 4.000 . 6.500 4.864 4.645 4.994 . 0 0 "[ . 1 .]" 1
541 1 49 LEU H 1 50 ASP HB3 4.000 . 6.500 5.361 5.229 5.486 . 0 0 "[ . 1 .]" 1
542 1 50 ASP H 1 50 ASP HB3 3.200 . 4.000 2.832 2.735 2.937 . 0 0 "[ . 1 .]" 1
543 1 50 ASP HB3 1 51 ASN H 4.000 . 6.500 3.394 3.356 3.474 . 0 0 "[ . 1 .]" 1
544 1 50 ASP HB3 1 52 ASN H 4.000 . 6.500 6.234 6.154 6.284 . 0 0 "[ . 1 .]" 1
545 1 50 ASP HB3 1 53 GLY H 4.000 . 6.500 6.599 6.576 6.607 0.107 10 0 "[ . 1 .]" 1
546 1 50 ASP HB3 1 54 GLY H 4.000 . 6.500 5.318 5.262 5.368 . 0 0 "[ . 1 .]" 1
547 1 48 CYS H 1 50 ASP HB2 4.000 . 6.500 4.013 3.905 4.051 . 0 0 "[ . 1 .]" 1
548 1 49 LEU H 1 50 ASP HB2 4.000 . 6.500 4.510 4.442 4.566 . 0 0 "[ . 1 .]" 1
549 1 50 ASP H 1 50 ASP HB2 3.200 . 4.000 2.181 2.107 2.260 . 0 0 "[ . 1 .]" 1
550 1 50 ASP HB2 1 51 ASN H 4.000 . 6.500 4.135 4.088 4.201 . 0 0 "[ . 1 .]" 1
551 1 50 ASP H 1 51 ASN H 4.000 . 6.500 2.895 2.890 2.919 . 0 0 "[ . 1 .]" 1
552 1 50 ASP H 1 52 ASN H 4.000 . 6.500 6.500 6.488 6.506 0.006 2 0 "[ . 1 .]" 1
553 1 50 ASP H 1 53 GLY H 4.000 . 6.500 6.052 5.974 6.135 . 0 0 "[ . 1 .]" 1
554 1 51 ASN HA 1 51 ASN HD21 4.000 . 6.500 4.457 4.440 4.477 . 0 0 "[ . 1 .]" 1
555 1 51 ASN HA 1 51 ASN HD22 4.000 . 6.500 5.310 5.302 5.317 . 0 0 "[ . 1 .]" 1
556 1 51 ASN HA 1 52 ASN H 3.200 . 4.000 3.275 3.264 3.283 . 0 0 "[ . 1 .]" 1
557 1 51 ASN HA 1 53 GLY H 4.000 . 6.500 4.841 4.789 4.891 . 0 0 "[ . 1 .]" 1
558 1 51 ASN HA 1 54 GLY H 4.000 . 6.500 4.923 4.896 4.942 . 0 0 "[ . 1 .]" 1
559 1 50 ASP H 1 51 ASN HB3 4.000 . 6.500 5.412 5.389 5.426 . 0 0 "[ . 1 .]" 1
560 1 51 ASN HB3 1 51 ASN HD21 3.200 . 4.000 3.161 3.123 3.186 . 0 0 "[ . 1 .]" 1
561 1 51 ASN HB3 1 51 ASN HD22 4.000 . 6.500 3.886 3.869 3.898 . 0 0 "[ . 1 .]" 1
562 1 51 ASN H 1 51 ASN HB3 4.000 . 6.500 3.326 3.300 3.374 . 0 0 "[ . 1 .]" 1
563 1 51 ASN HB3 1 52 ASN H 4.000 . 6.500 3.265 3.254 3.272 . 0 0 "[ . 1 .]" 1
564 1 51 ASN HB3 1 53 GLY H 4.000 . 6.500 4.684 4.656 4.719 . 0 0 "[ . 1 .]" 1
565 1 51 ASN HB3 1 54 GLY H 4.000 . 6.500 4.362 4.318 4.409 . 0 0 "[ . 1 .]" 1
566 1 51 ASN HB3 1 55 CYS H 4.000 . 6.500 6.716 6.682 6.750 0.250 3 0 "[ . 1 .]" 1
567 1 50 ASP H 1 51 ASN HB2 4.000 . 6.500 6.454 6.448 6.460 . 0 0 "[ . 1 .]" 1
568 1 51 ASN HB2 1 51 ASN HD22 4.000 . 6.500 3.439 3.436 3.443 . 0 0 "[ . 1 .]" 1
569 1 51 ASN H 1 51 ASN HB2 4.000 . 6.500 3.839 3.827 3.875 . 0 0 "[ . 1 .]" 1
570 1 51 ASN HB2 1 52 ASN H 4.000 . 6.500 1.859 1.844 1.872 . 0 0 "[ . 1 .]" 1
571 1 51 ASN HB2 1 53 GLY H 4.000 . 6.500 3.808 3.783 3.825 . 0 0 "[ . 1 .]" 1
572 1 51 ASN HB2 1 54 GLY H 4.000 . 6.500 4.181 4.141 4.238 . 0 0 "[ . 1 .]" 1
573 1 51 ASN HB2 1 55 CYS H 4.000 . 6.500 6.318 6.278 6.376 . 0 0 "[ . 1 .]" 1
574 1 51 ASN HD21 1 54 GLY H 4.000 . 6.500 3.486 3.387 3.614 . 0 0 "[ . 1 .]" 1
575 1 51 ASN HD22 1 53 GLY H 4.000 . 6.500 2.629 2.586 2.657 . 0 0 "[ . 1 .]" 1
576 1 51 ASN HD22 1 54 GLY H 4.000 . 6.500 2.437 2.346 2.551 . 0 0 "[ . 1 .]" 1
577 1 51 ASN HD22 1 55 CYS H 4.000 . 6.500 3.073 3.024 3.145 . 0 0 "[ . 1 .]" 1
578 1 51 ASN H 1 52 ASN H 4.000 . 6.500 3.716 3.705 3.736 . 0 0 "[ . 1 .]" 1
579 1 52 ASN HA 1 52 ASN HD21 4.000 . 6.500 3.860 3.850 3.873 . 0 0 "[ . 1 .]" 1
580 1 52 ASN HA 1 52 ASN HD22 4.000 . 6.500 4.980 4.974 4.992 . 0 0 "[ . 1 .]" 1
581 1 52 ASN HB2 1 52 ASN HD21 3.200 . 4.000 2.395 2.391 2.400 . 0 0 "[ . 1 .]" 1
582 1 52 ASN HB2 1 52 ASN HD22 3.200 . 4.000 3.557 3.552 3.560 . 0 0 "[ . 1 .]" 1
583 1 52 ASN H 1 52 ASN HB2 4.000 . 6.500 3.560 3.555 3.566 . 0 0 "[ . 1 .]" 1
584 1 52 ASN HB2 1 53 GLY H 4.000 . 6.500 3.645 3.620 3.669 . 0 0 "[ . 1 .]" 1
585 1 52 ASN HB2 1 54 GLY H 4.000 . 6.500 5.432 5.393 5.468 . 0 0 "[ . 1 .]" 1
586 1 52 ASN HB2 1 55 CYS H 4.000 . 6.500 6.192 6.139 6.264 . 0 0 "[ . 1 .]" 1
587 1 52 ASN HB3 1 52 ASN HD21 3.200 . 4.000 3.526 3.521 3.531 . 0 0 "[ . 1 .]" 1
588 1 52 ASN HB3 1 52 ASN HD22 4.000 . 6.500 4.077 4.072 4.080 . 0 0 "[ . 1 .]" 1
589 1 52 ASN H 1 52 ASN HB3 4.000 . 6.500 2.696 2.668 2.716 . 0 0 "[ . 1 .]" 1
590 1 52 ASN HB3 1 53 GLY H 4.000 . 6.500 3.844 3.800 3.871 . 0 0 "[ . 1 .]" 1
591 1 52 ASN HB3 1 54 GLY H 4.000 . 6.500 5.471 5.434 5.508 . 0 0 "[ . 1 .]" 1
592 1 52 ASN HB3 1 55 CYS H 4.000 . 6.500 6.681 6.650 6.717 0.217 13 0 "[ . 1 .]" 1
593 1 52 ASN HD21 1 54 GLY H 4.000 . 6.500 4.045 3.972 4.142 . 0 0 "[ . 1 .]" 1
594 1 52 ASN HD21 1 55 CYS H 4.000 . 6.500 3.967 3.889 4.100 . 0 0 "[ . 1 .]" 1
595 1 52 ASN HD21 1 57 HIS H 4.000 . 6.500 4.316 4.186 4.426 . 0 0 "[ . 1 .]" 1
596 1 52 ASN HD21 1 59 CYS H 4.000 . 6.500 6.329 6.123 6.465 . 0 0 "[ . 1 .]" 1
597 1 52 ASN HD22 1 55 CYS H 4.000 . 6.500 3.016 2.961 3.071 . 0 0 "[ . 1 .]" 1
598 1 52 ASN HD22 1 57 HIS H 4.000 . 6.500 4.297 4.148 4.434 . 0 0 "[ . 1 .]" 1
599 1 52 ASN HD22 1 59 CYS H 4.000 . 6.500 6.464 6.289 6.534 0.034 9 0 "[ . 1 .]" 1
600 1 52 ASN H 1 53 GLY H 4.000 . 6.500 2.225 2.214 2.240 . 0 0 "[ . 1 .]" 1
601 1 52 ASN H 1 54 GLY H 4.000 . 6.500 3.245 3.223 3.291 . 0 0 "[ . 1 .]" 1
602 1 52 ASN H 1 55 CYS H 4.000 . 6.500 5.292 5.265 5.325 . 0 0 "[ . 1 .]" 1
603 1 52 ASN H 1 53 GLY HA3 4.000 . 6.500 4.876 4.864 4.890 . 0 0 "[ . 1 .]" 1
604 1 53 GLY HA3 1 54 GLY H 4.000 . 6.500 3.485 3.476 3.493 . 0 0 "[ . 1 .]" 1
605 1 53 GLY HA3 1 55 CYS H 4.000 . 6.500 3.388 3.349 3.428 . 0 0 "[ . 1 .]" 1
606 1 53 GLY HA3 1 57 HIS HD2 4.000 . 6.500 5.054 5.024 5.074 . 0 0 "[ . 1 .]" 1
607 1 52 ASN H 1 53 GLY HA2 4.000 . 6.500 4.814 4.803 4.831 . 0 0 "[ . 1 .]" 1
608 1 53 GLY HA2 1 54 GLY H 4.000 . 6.500 3.021 2.986 3.050 . 0 0 "[ . 1 .]" 1
609 1 53 GLY HA2 1 55 CYS H 4.000 . 6.500 4.162 4.102 4.199 . 0 0 "[ . 1 .]" 1
610 1 53 GLY HA2 1 57 HIS HD2 4.000 . 6.500 6.704 6.680 6.736 0.236 9 0 "[ . 1 .]" 1
611 1 53 GLY H 1 54 GLY H 3.200 . 4.000 1.789 1.761 1.842 0.039 3 0 "[ . 1 .]" 1
612 1 53 GLY H 1 55 CYS H 4.000 . 6.500 3.516 3.489 3.543 . 0 0 "[ . 1 .]" 1
613 1 51 ASN HD21 1 54 GLY HA3 4.000 . 6.500 5.553 5.487 5.618 . 0 0 "[ . 1 .]" 1
614 1 53 GLY H 1 54 GLY HA3 4.000 . 6.500 4.392 4.383 4.402 . 0 0 "[ . 1 .]" 1
615 1 54 GLY HA3 1 55 CYS H 4.000 . 6.500 2.735 2.723 2.748 . 0 0 "[ . 1 .]" 1
616 1 51 ASN HD21 1 54 GLY HA2 4.000 . 6.500 4.438 4.355 4.510 . 0 0 "[ . 1 .]" 1
617 1 51 ASN HD22 1 54 GLY HA2 4.000 . 6.500 3.021 2.926 3.104 . 0 0 "[ . 1 .]" 1
618 1 53 GLY H 1 54 GLY HA2 4.000 . 6.500 3.979 3.966 3.990 . 0 0 "[ . 1 .]" 1
619 1 54 GLY HA2 1 55 CYS H 4.000 . 6.500 3.456 3.452 3.461 . 0 0 "[ . 1 .]" 1
620 1 54 GLY H 1 55 CYS H . . 3.000 3.103 3.081 3.130 0.130 10 0 "[ . 1 .]" 1
621 1 54 GLY H 1 55 CYS HA 4.000 . 6.500 4.989 4.937 5.036 . 0 0 "[ . 1 .]" 1
622 1 55 CYS HA 1 56 SER H 3.200 . 4.000 3.558 3.544 3.564 . 0 0 "[ . 1 .]" 1
623 1 55 CYS HA 1 57 HIS H 4.000 . 6.500 5.831 5.694 6.044 . 0 0 "[ . 1 .]" 1
624 1 55 CYS HA 1 80 ARG HB3 4.000 . 6.500 2.532 2.299 3.524 . 0 0 "[ . 1 .]" 1
625 1 55 CYS HA 1 80 ARG HB2 4.000 . 6.500 4.067 3.966 4.198 . 0 0 "[ . 1 .]" 1
626 1 52 ASN HD21 1 55 CYS HB3 4.000 . 6.500 6.472 6.346 6.527 0.027 15 0 "[ . 1 .]" 1
627 1 52 ASN HD22 1 55 CYS HB3 4.000 . 6.500 5.086 4.951 5.123 . 0 0 "[ . 1 .]" 1
628 1 54 GLY H 1 55 CYS HB3 4.000 . 6.500 6.647 6.614 6.668 0.168 9 0 "[ . 1 .]" 1
629 1 55 CYS H 1 55 CYS HB3 3.200 . 4.000 3.697 3.590 3.760 . 0 0 "[ . 1 .]" 1
630 1 55 CYS HB3 1 56 SER H 4.000 . 6.500 3.399 2.966 3.591 . 0 0 "[ . 1 .]" 1
631 1 55 CYS HB3 1 57 HIS H 4.000 . 6.500 4.788 4.440 5.050 . 0 0 "[ . 1 .]" 1
632 1 52 ASN HD21 1 55 CYS HB2 4.000 . 6.500 5.881 5.724 6.002 . 0 0 "[ . 1 .]" 1
633 1 52 ASN HD22 1 55 CYS HB2 4.000 . 6.500 4.776 4.709 4.865 . 0 0 "[ . 1 .]" 1
634 1 54 GLY H 1 55 CYS HB2 4.000 . 6.500 5.653 5.587 5.732 . 0 0 "[ . 1 .]" 1
635 1 55 CYS H 1 55 CYS HB2 4.000 . 6.500 2.596 2.526 2.674 . 0 0 "[ . 1 .]" 1
636 1 55 CYS HB2 1 56 SER H 4.000 . 6.500 2.579 2.491 2.732 . 0 0 "[ . 1 .]" 1
637 1 55 CYS HB2 1 57 HIS H 4.000 . 6.500 4.061 3.835 4.442 . 0 0 "[ . 1 .]" 1
638 1 55 CYS HB2 1 59 CYS HB2 4.000 . 6.500 2.486 2.193 2.655 . 0 0 "[ . 1 .]" 1
639 1 55 CYS HB2 1 59 CYS HB3 4.000 . 6.500 3.911 3.667 4.044 . 0 0 "[ . 1 .]" 1
640 1 55 CYS HB2 1 68 CYS HB3 4.000 . 6.500 2.158 2.006 2.322 . 0 0 "[ . 1 .]" 1
641 1 55 CYS H 1 56 SER H 4.000 . 6.500 1.896 1.788 2.064 0.012 9 0 "[ . 1 .]" 1
642 1 55 CYS H 1 57 HIS H 4.000 . 6.500 4.244 4.088 4.510 . 0 0 "[ . 1 .]" 1
643 1 52 ASN HD21 1 56 SER HA 4.000 . 6.500 2.581 2.500 2.781 . 0 0 "[ . 1 .]" 1
644 1 52 ASN HD22 1 56 SER HA 4.000 . 6.500 1.854 1.799 1.900 0.001 5 0 "[ . 1 .]" 1
645 1 53 GLY HA3 1 56 SER HA 4.000 . 6.500 4.234 4.097 4.411 . 0 0 "[ . 1 .]" 1
646 1 53 GLY HA2 1 56 SER HA 4.000 . 6.500 5.810 5.698 5.977 . 0 0 "[ . 1 .]" 1
647 1 53 GLY H 1 56 SER HA 4.000 . 6.500 4.456 4.404 4.573 . 0 0 "[ . 1 .]" 1
648 1 54 GLY H 1 56 SER HA 4.000 . 6.500 5.593 5.523 5.718 . 0 0 "[ . 1 .]" 1
649 1 55 CYS H 1 56 SER HA 4.000 . 6.500 4.092 4.077 4.127 . 0 0 "[ . 1 .]" 1
650 1 56 SER HA 1 57 HIS HD2 4.000 . 6.500 3.686 3.545 3.845 . 0 0 "[ . 1 .]" 1
651 1 56 SER HA 1 57 HIS H 4.000 . 6.500 3.560 3.538 3.566 . 0 0 "[ . 1 .]" 1
652 1 56 SER HA 1 59 CYS HB2 4.000 . 6.500 6.524 6.414 6.583 0.083 8 0 "[ . 1 .]" 1
653 1 56 SER HA 1 59 CYS HB3 4.000 . 7.000 6.857 6.811 6.878 . 0 0 "[ . 1 .]" 1
654 1 56 SER H 1 56 SER HB3 4.000 . 6.500 3.835 3.309 3.987 . 0 0 "[ . 1 .]" 1
655 1 56 SER HB3 1 57 HIS H 4.000 . 6.500 2.798 2.094 3.319 . 0 0 "[ . 1 .]" 1
656 1 56 SER H 1 56 SER HB2 4.000 . 6.500 3.039 2.955 3.091 . 0 0 "[ . 1 .]" 1
657 1 56 SER HB2 1 57 HIS H 4.000 . 6.500 2.575 2.286 3.294 . 0 0 "[ . 1 .]" 1
658 1 56 SER HB2 1 69 LEU H 4.000 . 6.500 6.289 5.992 6.507 0.007 13 0 "[ . 1 .]" 1
659 1 56 SER H 1 57 HIS H 4.000 . 6.500 2.500 2.316 2.832 . 0 0 "[ . 1 .]" 1
660 1 56 SER H 1 82 CYS H 4.000 . 6.500 6.162 5.224 6.520 0.020 7 0 "[ . 1 .]" 1
661 1 57 HIS HA 1 57 HIS HD2 3.200 . 4.000 2.455 2.352 2.547 . 0 0 "[ . 1 .]" 1
662 1 57 HIS HA 1 58 VAL H 4.000 . 6.500 3.560 3.550 3.568 . 0 0 "[ . 1 .]" 1
663 1 57 HIS HB3 1 57 HIS HD2 3.200 . 4.000 3.664 3.607 3.729 . 0 0 "[ . 1 .]" 1
664 1 57 HIS H 1 57 HIS HB3 4.000 . 6.500 3.694 3.644 3.733 . 0 0 "[ . 1 .]" 1
665 1 57 HIS HB3 1 58 VAL H 2.600 . 3.000 3.061 3.033 3.100 0.100 9 0 "[ . 1 .]" 1
666 1 57 HIS HB2 1 57 HIS HD2 3.200 . 4.000 3.685 3.624 3.735 . 0 0 "[ . 1 .]" 1
667 1 57 HIS H 1 57 HIS HB2 4.000 . 6.500 2.533 2.495 2.591 . 0 0 "[ . 1 .]" 1
668 1 57 HIS HB2 1 58 VAL H 2.600 . 3.000 2.021 1.920 2.142 . 0 0 "[ . 1 .]" 1
669 1 57 HIS H 1 57 HIS HD2 4.000 . 6.500 3.122 2.743 3.403 . 0 0 "[ . 1 .]" 1
670 1 57 HIS HD2 1 58 VAL H 4.000 . 6.500 4.924 4.814 5.018 . 0 0 "[ . 1 .]" 1
671 1 57 HIS HE1 1 82 CYS H 4.000 . 6.500 4.564 4.454 4.692 . 0 0 "[ . 1 .]" 1
672 1 57 HIS H 1 58 VAL H 4.000 . 6.500 2.588 2.495 2.705 . 0 0 "[ . 1 .]" 1
673 1 52 ASN HD21 1 58 VAL HA 4.000 . 6.500 6.024 5.940 6.143 . 0 0 "[ . 1 .]" 1
674 1 52 ASN HD22 1 58 VAL HA 4.000 . 6.500 6.608 6.587 6.631 0.131 8 0 "[ . 1 .]" 1
675 1 58 VAL HA 1 59 CYS H 2.600 . 3.000 2.102 2.088 2.132 . 0 0 "[ . 1 .]" 1
676 1 58 VAL HA 1 69 LEU H 4.000 . 6.500 4.939 4.848 5.150 . 0 0 "[ . 1 .]" 1
677 1 57 HIS H 1 58 VAL HB 4.000 . 6.500 6.154 5.877 6.319 . 0 0 "[ . 1 .]" 1
678 1 58 VAL H 1 58 VAL HB 3.200 . 4.000 3.641 3.371 3.679 . 0 0 "[ . 1 .]" 1
679 1 58 VAL HB 1 59 CYS H 4.000 . 6.500 3.647 3.560 3.974 . 0 0 "[ . 1 .]" 1
680 1 58 VAL HB 1 69 LEU H 4.000 . 6.500 4.474 4.099 4.771 . 0 0 "[ . 1 .]" 1
681 1 58 VAL HB 1 70 CYS H 4.000 . 6.500 5.618 5.056 6.205 . 0 0 "[ . 1 .]" 1
682 1 58 VAL H 1 59 CYS H 4.000 . 6.500 4.041 3.919 4.113 . 0 0 "[ . 1 .]" 1
683 1 58 VAL H 1 69 LEU H 4.000 . 6.500 3.893 3.759 4.159 . 0 0 "[ . 1 .]" 1
684 1 57 HIS H 1 59 CYS HA 4.000 . 6.500 5.873 5.726 6.082 . 0 0 "[ . 1 .]" 1
685 1 59 CYS HA 1 60 ASN H 2.600 . 3.000 2.151 2.139 2.176 . 0 0 "[ . 1 .]" 1
686 1 59 CYS HA 1 67 GLU H 4.000 . 6.500 5.117 4.990 5.374 . 0 0 "[ . 1 .]" 1
687 1 59 CYS HA 1 68 CYS HA 4.000 . 6.500 2.197 2.010 2.442 . 0 0 "[ . 1 .]" 1
688 1 59 CYS HA 1 69 LEU H 4.000 . 6.500 2.190 2.040 2.384 . 0 0 "[ . 1 .]" 1
689 1 52 ASN HD21 1 59 CYS HB2 4.000 . 6.500 6.509 6.467 6.523 0.023 1 0 "[ . 1 .]" 1
690 1 52 ASN HD22 1 59 CYS HB2 4.000 . 6.500 5.775 5.703 5.829 . 0 0 "[ . 1 .]" 1
691 1 59 CYS H 1 59 CYS HB2 3.200 . 4.000 3.238 3.173 3.271 . 0 0 "[ . 1 .]" 1
692 1 59 CYS HB2 1 60 ASN H 4.000 . 6.500 3.945 3.848 4.045 . 0 0 "[ . 1 .]" 1
693 1 48 CYS H 1 59 CYS HB3 4.000 . 6.500 5.221 5.154 5.277 . 0 0 "[ . 1 .]" 1
694 1 49 LEU H 1 59 CYS HB3 4.000 . 6.500 4.793 4.661 4.871 . 0 0 "[ . 1 .]" 1
695 1 52 ASN HD21 1 59 CYS HB3 4.000 . 6.500 6.163 6.108 6.253 . 0 0 "[ . 1 .]" 1
696 1 52 ASN HD22 1 59 CYS HB3 4.000 . 6.500 5.740 5.670 5.795 . 0 0 "[ . 1 .]" 1
697 1 59 CYS H 1 59 CYS HB3 3.200 . 4.000 2.348 2.267 2.420 . 0 0 "[ . 1 .]" 1
698 1 59 CYS HB3 1 60 ASN H 4.000 . 6.500 4.363 4.307 4.396 . 0 0 "[ . 1 .]" 1
699 1 59 CYS H 1 60 ASN H 4.000 . 6.500 4.421 4.352 4.465 . 0 0 "[ . 1 .]" 1
700 1 59 CYS H 1 60 ASN HA 4.000 . 6.500 4.990 4.884 5.081 . 0 0 "[ . 1 .]" 1
701 1 60 ASN HA 1 60 ASN HD21 4.000 . 6.500 4.404 4.256 4.625 . 0 0 "[ . 1 .]" 1
702 1 60 ASN HA 1 60 ASN HD22 4.000 . 6.500 4.735 4.384 5.396 . 0 0 "[ . 1 .]" 1
703 1 60 ASN HA 1 61 ASP HB2 4.000 . 6.500 4.332 4.182 5.706 . 0 0 "[ . 1 .]" 1
704 1 60 ASN HA 1 61 ASP HB3 4.000 . 6.500 5.172 4.468 5.378 . 0 0 "[ . 1 .]" 1
705 1 60 ASN HA 1 61 ASP H 2.600 . 3.000 2.153 2.140 2.164 . 0 0 "[ . 1 .]" 1
706 1 60 ASN HB2 1 60 ASN HD21 3.200 . 4.000 2.497 2.236 2.716 . 0 0 "[ . 1 .]" 1
707 1 60 ASN HB2 1 60 ASN HD22 4.000 . 6.500 3.588 3.481 3.683 . 0 0 "[ . 1 .]" 1
708 1 60 ASN H 1 60 ASN HB2 3.200 . 4.000 2.728 2.193 3.658 . 0 0 "[ . 1 .]" 1
709 1 60 ASN HB2 1 61 ASP H 4.000 . 6.500 4.244 3.492 4.614 . 0 0 "[ . 1 .]" 1
710 1 60 ASN HB2 1 67 GLU H 4.000 . 6.500 4.434 3.887 4.800 . 0 0 "[ . 1 .]" 1
711 1 60 ASN HB3 1 60 ASN HD21 3.200 . 4.000 2.594 2.378 2.908 . 0 0 "[ . 1 .]" 1
712 1 60 ASN HB3 1 60 ASN HD22 3.200 . 4.000 3.631 3.538 3.774 . 0 0 "[ . 1 .]" 1
713 1 60 ASN H 1 60 ASN HB3 3.200 . 4.000 3.061 2.841 3.303 . 0 0 "[ . 1 .]" 1
714 1 60 ASN HB3 1 61 ASP H 4.000 . 6.500 4.071 3.855 4.330 . 0 0 "[ . 1 .]" 1
715 1 60 ASN HB3 1 67 GLU HG3 4.000 . 6.500 4.604 3.763 6.145 . 0 0 "[ . 1 .]" 1
716 1 60 ASN HB3 1 67 GLU HG2 4.000 . 6.500 3.544 2.641 5.135 . 0 0 "[ . 1 .]" 1
717 1 60 ASN HB3 1 67 GLU H 4.000 . 6.500 4.134 3.451 5.398 . 0 0 "[ . 1 .]" 1
718 1 60 ASN H 1 60 ASN HD21 4.000 . 6.500 4.680 4.354 4.965 . 0 0 "[ . 1 .]" 1
719 1 60 ASN HD21 1 67 GLU H 4.000 . 6.500 5.689 4.884 6.256 . 0 0 "[ . 1 .]" 1
720 1 60 ASN H 1 60 ASN HD22 4.000 . 6.500 5.234 4.209 5.858 . 0 0 "[ . 1 .]" 1
721 1 60 ASN H 1 61 ASP H 4.000 . 6.500 4.350 4.301 4.414 . 0 0 "[ . 1 .]" 1
722 1 60 ASN H 1 67 GLU H 4.000 . 6.500 3.554 3.383 3.778 . 0 0 "[ . 1 .]" 1
723 1 60 ASN H 1 69 LEU H 4.000 . 6.500 3.582 3.221 3.803 . 0 0 "[ . 1 .]" 1
724 1 46 ASN HD21 1 61 ASP HA 4.000 . 6.500 6.356 5.614 6.503 0.003 3 0 "[ . 1 .]" 1
725 1 47 GLU H 1 61 ASP HA 4.000 . 6.500 5.084 4.907 5.605 . 0 0 "[ . 1 .]" 1
726 1 48 CYS H 1 61 ASP HA 4.000 . 6.500 4.487 4.374 4.775 . 0 0 "[ . 1 .]" 1
727 1 60 ASN H 1 61 ASP HA 4.000 . 6.500 5.074 4.980 5.120 . 0 0 "[ . 1 .]" 1
728 1 61 ASP HA 1 62 LEU H 2.600 . 3.000 2.118 2.101 2.130 . 0 0 "[ . 1 .]" 1
729 1 61 ASP HA 1 66 TYR HB2 4.000 . 6.500 2.335 2.049 3.062 . 0 0 "[ . 1 .]" 1
730 1 61 ASP HA 1 66 TYR HB3 4.000 . 6.500 2.310 1.931 2.679 . 0 0 "[ . 1 .]" 1
731 1 61 ASP HA 1 67 GLU H 4.000 . 6.500 3.273 2.958 3.505 . 0 0 "[ . 1 .]" 1
732 1 46 ASN HD21 1 61 ASP HB2 4.000 . 6.500 3.776 2.929 5.225 . 0 0 "[ . 1 .]" 1
733 1 46 ASN HD22 1 61 ASP HB2 4.000 . 6.500 4.750 3.825 6.470 . 0 0 "[ . 1 .]" 1
734 1 61 ASP H 1 61 ASP HB2 3.200 . 4.000 2.363 2.220 3.677 . 0 0 "[ . 1 .]" 1
735 1 61 ASP HB2 1 62 LEU H 4.000 . 6.500 4.499 3.662 4.581 . 0 0 "[ . 1 .]" 1
736 1 46 ASN HD21 1 61 ASP HB3 4.000 . 6.500 3.954 3.228 4.279 . 0 0 "[ . 1 .]" 1
737 1 46 ASN HD22 1 61 ASP HB3 4.000 . 6.500 5.350 4.683 5.813 . 0 0 "[ . 1 .]" 1
738 1 61 ASP H 1 61 ASP HB3 3.200 . 4.000 3.041 2.601 3.227 . 0 0 "[ . 1 .]" 1
739 1 61 ASP HB3 1 62 LEU H 4.000 . 6.500 4.009 3.837 4.469 . 0 0 "[ . 1 .]" 1
740 1 61 ASP HB3 1 66 TYR H 4.000 . 6.500 6.532 6.506 6.557 0.057 4 0 "[ . 1 .]" 1
741 1 61 ASP HB3 1 67 GLU H 4.000 . 6.500 6.073 5.116 6.353 . 0 0 "[ . 1 .]" 1
742 1 61 ASP H 1 62 LEU H 4.000 . 6.500 4.334 4.306 4.380 . 0 0 "[ . 1 .]" 1
743 1 62 LEU HA 1 62 LEU HG 3.200 . 4.000 3.267 3.061 3.559 . 0 0 "[ . 1 .]" 1
744 1 62 LEU HA 1 63 LYS H 2.600 . 3.000 2.406 2.307 2.645 . 0 0 "[ . 1 .]" 1
745 1 62 LEU H 1 62 LEU HB3 3.200 . 4.000 3.663 3.597 3.724 . 0 0 "[ . 1 .]" 1
746 1 62 LEU HB3 1 64 ILE H 3.200 . 4.000 2.728 2.435 3.056 . 0 0 "[ . 1 .]" 1
747 1 62 LEU HB3 1 66 TYR H 4.000 . 6.500 6.558 6.518 6.597 0.097 1 0 "[ . 1 .]" 1
748 1 62 LEU HB3 1 67 GLU H 4.000 . 6.500 6.407 6.258 6.500 0.000 10 0 "[ . 1 .]" 1
749 1 62 LEU H 1 62 LEU HB2 4.000 . 6.500 2.578 2.346 2.858 . 0 0 "[ . 1 .]" 1
750 1 62 LEU HB2 1 63 LYS H 4.000 . 6.500 3.523 3.262 3.883 . 0 0 "[ . 1 .]" 1
751 1 62 LEU HB2 1 64 ILE H 4.000 . 6.500 2.954 2.588 3.515 . 0 0 "[ . 1 .]" 1
752 1 62 LEU HB2 1 66 TYR H 4.000 . 6.500 4.950 4.869 5.017 . 0 0 "[ . 1 .]" 1
753 1 62 LEU HB2 1 67 GLU H 4.000 . 6.500 5.122 4.667 5.640 . 0 0 "[ . 1 .]" 1
754 1 62 LEU H 1 62 LEU HG 4.000 . 6.500 2.650 2.113 3.004 . 0 0 "[ . 1 .]" 1
755 1 62 LEU HG 1 63 LYS H 4.000 . 6.500 4.913 4.614 5.173 . 0 0 "[ . 1 .]" 1
756 1 62 LEU HG 1 64 ILE H 4.000 . 6.500 5.199 4.969 5.608 . 0 0 "[ . 1 .]" 1
757 1 62 LEU HG 1 66 TYR H 4.000 . 6.500 5.731 4.822 6.506 0.006 6 0 "[ . 1 .]" 1
758 1 62 LEU HG 1 67 GLU H 4.000 . 6.500 3.856 3.325 4.299 . 0 0 "[ . 1 .]" 1
759 1 62 LEU H 1 63 LYS H 4.000 . 6.500 4.555 4.489 4.575 . 0 0 "[ . 1 .]" 1
760 1 62 LEU H 1 64 ILE H 4.000 . 6.500 4.790 4.653 5.193 . 0 0 "[ . 1 .]" 1
761 1 62 LEU H 1 66 TYR H 4.000 . 6.500 4.079 3.875 4.336 . 0 0 "[ . 1 .]" 1
762 1 62 LEU H 1 67 GLU H 4.000 . 6.500 3.688 3.390 3.828 . 0 0 "[ . 1 .]" 1
763 1 63 LYS HA 1 64 ILE H 4.000 . 6.500 3.456 3.436 3.527 . 0 0 "[ . 1 .]" 1
764 1 63 LYS HA 1 65 GLY H 4.000 . 6.500 3.977 3.918 4.108 . 0 0 "[ . 1 .]" 1
765 1 63 LYS H 1 63 LYS HB3 3.200 . 4.000 3.392 2.479 3.596 . 0 0 "[ . 1 .]" 1
766 1 63 LYS H 1 63 LYS HB2 3.200 . 4.000 2.518 2.085 3.588 . 0 0 "[ . 1 .]" 1
767 1 63 LYS H 1 64 ILE H 4.000 . 6.500 2.605 2.468 2.729 . 0 0 "[ . 1 .]" 1
768 1 63 LYS HA 1 64 ILE HA 4.000 . 6.500 4.528 4.514 4.553 . 0 0 "[ . 1 .]" 1
769 1 64 ILE HA 1 65 GLY H 2.600 . 3.000 2.968 2.953 3.009 0.009 12 0 "[ . 1 .]" 1
770 1 64 ILE HA 1 66 TYR H 4.000 . 6.500 6.532 6.478 6.553 0.053 10 0 "[ . 1 .]" 1
771 1 64 ILE H 1 64 ILE HB 2.600 . 3.000 2.945 2.850 2.981 . 0 0 "[ . 1 .]" 1
772 1 64 ILE HB 1 65 GLY H 4.000 . 6.500 4.578 4.546 4.605 . 0 0 "[ . 1 .]" 1
773 1 64 ILE H 1 65 GLY H 4.000 . 6.500 2.597 2.517 2.747 . 0 0 "[ . 1 .]" 1
774 1 65 GLY HA3 1 66 TYR H 2.600 . 3.000 3.057 3.022 3.079 0.079 12 0 "[ . 1 .]" 1
775 1 65 GLY HA2 1 66 TYR H 2.600 . 3.000 2.172 2.139 2.198 . 0 0 "[ . 1 .]" 1
776 1 65 GLY H 1 66 TYR H 4.000 . 6.500 3.974 3.916 4.049 . 0 0 "[ . 1 .]" 1
777 1 60 ASN H 1 66 TYR HA 4.000 . 6.500 5.394 5.184 5.604 . 0 0 "[ . 1 .]" 1
778 1 61 ASP H 1 66 TYR HA 4.000 . 6.500 4.760 4.632 4.901 . 0 0 "[ . 1 .]" 1
779 1 62 LEU H 1 66 TYR HA 3.200 . 4.000 1.974 1.917 2.040 . 0 0 "[ . 1 .]" 1
780 1 66 TYR HA 1 67 GLU H 3.200 . 4.000 2.228 2.205 2.282 . 0 0 "[ . 1 .]" 1
781 1 47 GLU HB3 1 66 TYR HB2 4.000 . 6.500 5.499 4.880 6.147 . 0 0 "[ . 1 .]" 1
782 1 47 GLU HB2 1 66 TYR HB2 4.000 . 6.500 4.053 3.552 4.559 . 0 0 "[ . 1 .]" 1
783 1 47 GLU H 1 66 TYR HB2 4.000 . 6.500 5.188 4.614 5.837 . 0 0 "[ . 1 .]" 1
784 1 48 CYS H 1 66 TYR HB2 4.000 . 6.500 4.171 3.906 4.930 . 0 0 "[ . 1 .]" 1
785 1 62 LEU H 1 66 TYR HB2 4.000 . 6.500 3.828 3.543 4.371 . 0 0 "[ . 1 .]" 1
786 1 66 TYR H 1 66 TYR HB2 4.000 . 6.500 3.669 3.562 3.712 . 0 0 "[ . 1 .]" 1
787 1 66 TYR HB2 1 67 GLU H 4.000 . 6.500 2.919 2.651 3.113 . 0 0 "[ . 1 .]" 1
788 1 62 LEU H 1 66 TYR HB3 4.000 . 6.500 3.281 2.855 3.710 . 0 0 "[ . 1 .]" 1
789 1 66 TYR H 1 66 TYR HB3 4.000 . 6.500 2.830 2.706 3.246 . 0 0 "[ . 1 .]" 1
790 1 66 TYR HB3 1 67 GLU H 4.000 . 6.500 4.025 3.659 4.157 . 0 0 "[ . 1 .]" 1
791 1 66 TYR H 1 67 GLU H 4.000 . 6.500 4.544 4.482 4.572 . 0 0 "[ . 1 .]" 1
792 1 67 GLU HA 1 67 GLU HG3 4.000 . 6.500 4.161 4.116 4.209 . 0 0 "[ . 1 .]" 1
793 1 67 GLU HA 1 67 GLU HG2 4.000 . 6.500 3.631 3.561 3.684 . 0 0 "[ . 1 .]" 1
794 1 67 GLU HA 1 68 CYS HA 4.000 . 6.500 4.346 4.340 4.366 . 0 0 "[ . 1 .]" 1
795 1 67 GLU HA 1 68 CYS H 2.600 . 3.000 2.415 2.358 2.489 . 0 0 "[ . 1 .]" 1
796 1 60 ASN H 1 67 GLU HB3 4.000 . 6.500 5.612 5.403 6.045 . 0 0 "[ . 1 .]" 1
797 1 67 GLU H 1 67 GLU HB3 4.000 . 6.500 3.711 3.630 3.771 . 0 0 "[ . 1 .]" 1
798 1 67 GLU HB3 1 68 CYS H 2.600 . 3.000 3.060 3.006 3.107 0.107 3 0 "[ . 1 .]" 1
799 1 60 ASN H 1 67 GLU HB2 4.000 . 6.500 4.202 3.928 4.763 . 0 0 "[ . 1 .]" 1
800 1 67 GLU H 1 67 GLU HB2 4.000 . 6.500 3.411 3.309 3.536 . 0 0 "[ . 1 .]" 1
801 1 67 GLU HB2 1 68 CYS H 3.200 . 4.000 2.688 2.347 2.929 . 0 0 "[ . 1 .]" 1
802 1 60 ASN HD21 1 67 GLU HG3 4.000 . 6.500 4.745 3.960 5.403 . 0 0 "[ . 1 .]" 1
803 1 60 ASN HD22 1 67 GLU HG3 4.000 . 6.500 5.264 2.477 6.520 0.020 3 0 "[ . 1 .]" 1
804 1 60 ASN H 1 67 GLU HG3 4.000 . 6.500 5.353 5.102 5.615 . 0 0 "[ . 1 .]" 1
805 1 62 LEU H 1 67 GLU HG3 4.000 . 6.500 5.741 5.169 6.267 . 0 0 "[ . 1 .]" 1
806 1 67 GLU H 1 67 GLU HG3 3.200 . 4.000 3.708 3.635 3.773 . 0 0 "[ . 1 .]" 1
807 1 67 GLU HG3 1 68 CYS H 4.000 . 6.500 4.918 4.613 5.089 . 0 0 "[ . 1 .]" 1
808 1 60 ASN HD21 1 67 GLU HG2 4.000 . 6.500 4.423 3.419 5.234 . 0 0 "[ . 1 .]" 1
809 1 60 ASN HD22 1 67 GLU HG2 4.000 . 6.500 4.960 2.345 6.279 . 0 0 "[ . 1 .]" 1
810 1 60 ASN H 1 67 GLU HG2 4.000 . 6.500 4.122 3.919 4.407 . 0 0 "[ . 1 .]" 1
811 1 62 LEU H 1 67 GLU HG2 4.000 . 6.500 4.333 3.747 4.780 . 0 0 "[ . 1 .]" 1
812 1 67 GLU H 1 67 GLU HG2 4.000 . 6.500 2.098 1.975 2.190 . 0 0 "[ . 1 .]" 1
813 1 67 GLU HG2 1 68 CYS H 4.000 . 6.500 4.739 4.491 4.903 . 0 0 "[ . 1 .]" 1
814 1 67 GLU H 1 68 CYS H 4.000 . 6.500 4.462 4.420 4.486 . 0 0 "[ . 1 .]" 1
815 1 55 CYS HB3 1 68 CYS HA 4.000 . 6.500 4.295 3.821 4.482 . 0 0 "[ . 1 .]" 1
816 1 55 CYS HB2 1 68 CYS HA 4.000 . 6.500 3.159 2.746 3.361 . 0 0 "[ . 1 .]" 1
817 1 58 VAL H 1 68 CYS HA 4.000 . 6.500 5.473 5.263 5.698 . 0 0 "[ . 1 .]" 1
818 1 59 CYS HB2 1 68 CYS HA 4.000 . 6.500 2.560 2.447 2.778 . 0 0 "[ . 1 .]" 1
819 1 59 CYS HB3 1 68 CYS HA 4.000 . 6.500 4.120 4.000 4.318 . 0 0 "[ . 1 .]" 1
820 1 59 CYS H 1 68 CYS HA 4.000 . 6.500 4.831 4.643 5.003 . 0 0 "[ . 1 .]" 1
821 1 60 ASN H 1 68 CYS HA 4.000 . 6.500 3.222 2.999 3.576 . 0 0 "[ . 1 .]" 1
822 1 68 CYS HA 1 69 LEU HB2 4.000 . 6.500 4.751 4.312 4.890 . 0 0 "[ . 1 .]" 1
823 1 68 CYS HA 1 69 LEU H 2.600 . 3.000 2.189 2.166 2.224 . 0 0 "[ . 1 .]" 1
824 1 56 SER H 1 68 CYS HB3 4.000 . 6.500 4.379 4.094 4.556 . 0 0 "[ . 1 .]" 1
825 1 68 CYS H 1 68 CYS HB3 3.200 . 4.000 3.676 3.663 3.721 . 0 0 "[ . 1 .]" 1
826 1 68 CYS HB3 1 69 LEU H 4.000 . 6.500 3.130 2.985 3.210 . 0 0 "[ . 1 .]" 1
827 1 68 CYS H 1 68 CYS HB2 3.200 . 4.000 2.816 2.749 2.861 . 0 0 "[ . 1 .]" 1
828 1 68 CYS HB2 1 69 LEU H 4.000 . 6.500 3.772 3.709 3.850 . 0 0 "[ . 1 .]" 1
829 1 68 CYS HA 1 69 LEU HA 4.000 . 6.500 4.397 4.384 4.412 . 0 0 "[ . 1 .]" 1
830 1 69 LEU HA 1 69 LEU HG 4.000 . 6.500 3.501 3.366 3.750 . 0 0 "[ . 1 .]" 1
831 1 69 LEU HA 1 70 CYS H 2.600 . 3.000 2.395 2.276 2.608 . 0 0 "[ . 1 .]" 1
832 1 58 VAL H 1 69 LEU HB3 4.000 . 6.500 5.641 5.386 5.777 . 0 0 "[ . 1 .]" 1
833 1 59 CYS H 1 69 LEU HB3 4.000 . 6.500 6.534 6.454 6.549 0.049 1 0 "[ . 1 .]" 1
834 1 60 ASN HD21 1 69 LEU HB3 4.000 . 6.500 5.653 5.183 6.327 . 0 0 "[ . 1 .]" 1
835 1 60 ASN HD22 1 69 LEU HB3 4.000 . 6.500 6.040 5.579 6.503 0.003 13 0 "[ . 1 .]" 1
836 1 60 ASN H 1 69 LEU HB3 4.000 . 6.500 5.102 4.907 5.392 . 0 0 "[ . 1 .]" 1
837 1 69 LEU H 1 69 LEU HB3 4.000 . 6.500 3.778 3.678 3.819 . 0 0 "[ . 1 .]" 1
838 1 69 LEU HB3 1 70 CYS H 2.600 . 3.000 2.568 2.113 2.804 . 0 0 "[ . 1 .]" 1
839 1 58 VAL H 1 69 LEU HB2 4.000 . 6.500 4.247 3.900 4.815 . 0 0 "[ . 1 .]" 1
840 1 59 CYS H 1 69 LEU HB2 4.000 . 6.500 4.883 4.797 4.937 . 0 0 "[ . 1 .]" 1
841 1 60 ASN HD21 1 69 LEU HB2 4.000 . 6.500 6.045 4.920 6.501 0.001 10 0 "[ . 1 .]" 1
842 1 60 ASN HD22 1 69 LEU HB2 4.000 . 6.500 6.373 5.846 6.517 0.017 14 0 "[ . 1 .]" 1
843 1 60 ASN H 1 69 LEU HB2 4.000 . 6.500 4.291 3.351 4.689 . 0 0 "[ . 1 .]" 1
844 1 69 LEU H 1 69 LEU HB2 3.200 . 4.000 2.786 2.510 2.906 . 0 0 "[ . 1 .]" 1
845 1 69 LEU HB2 1 70 CYS H 3.200 . 4.000 3.417 2.958 4.018 0.018 6 0 "[ . 1 .]" 1
846 1 68 CYS H 1 69 LEU HG 4.000 . 6.500 5.410 4.934 6.523 0.023 6 0 "[ . 1 .]" 1
847 1 69 LEU H 1 69 LEU HG 4.000 . 6.500 2.833 2.483 4.377 . 0 0 "[ . 1 .]" 1
848 1 69 LEU H 1 70 CYS H 4.000 . 6.500 4.475 4.438 4.500 . 0 0 "[ . 1 .]" 1
849 1 57 HIS HB3 1 70 CYS HA 4.000 . 6.500 4.477 4.250 4.737 . 0 0 "[ . 1 .]" 1
850 1 57 HIS HB2 1 70 CYS HA 4.000 . 6.500 3.504 3.313 3.891 . 0 0 "[ . 1 .]" 1
851 1 58 VAL H 1 70 CYS HA 4.000 . 6.500 3.939 3.748 4.147 . 0 0 "[ . 1 .]" 1
852 1 70 CYS HA 1 71 PRO HD3 2.600 . 3.000 2.387 2.027 2.681 . 0 0 "[ . 1 .]" 1
853 1 70 CYS HA 1 71 PRO HD2 3.200 . 4.000 2.439 1.965 3.109 . 0 0 "[ . 1 .]" 1
854 1 70 CYS HA 1 71 PRO HG3 4.000 . 6.500 4.419 4.123 4.720 . 0 0 "[ . 1 .]" 1
855 1 70 CYS HA 1 71 PRO HG2 4.000 . 6.500 4.449 4.137 4.704 . 0 0 "[ . 1 .]" 1
856 1 70 CYS HA 1 74 PHE HB3 4.000 . 6.500 5.376 4.709 6.038 . 0 0 "[ . 1 .]" 1
857 1 69 LEU H 1 70 CYS HB2 4.000 . 6.500 5.378 4.833 6.361 . 0 0 "[ . 1 .]" 1
858 1 70 CYS H 1 70 CYS HB2 3.200 . 4.000 3.094 2.968 3.246 . 0 0 "[ . 1 .]" 1
859 1 70 CYS HB2 1 74 PHE H 4.000 . 6.500 5.709 4.361 6.503 0.003 4 0 "[ . 1 .]" 1
860 1 69 LEU H 1 70 CYS HB3 4.000 . 6.500 6.426 6.331 6.513 0.013 15 0 "[ . 1 .]" 1
861 1 70 CYS H 1 70 CYS HB3 4.000 . 6.500 3.583 3.100 3.983 . 0 0 "[ . 1 .]" 1
862 1 71 PRO HA 1 71 PRO HG3 4.000 . 6.500 3.449 2.900 3.939 . 0 0 "[ . 1 .]" 1
863 1 71 PRO HA 1 71 PRO HG2 4.000 . 6.500 3.902 3.872 3.975 . 0 0 "[ . 1 .]" 1
864 1 71 PRO HA 1 72 ASP H 2.600 . 3.000 2.347 2.207 2.437 . 0 0 "[ . 1 .]" 1
865 1 71 PRO HB3 1 72 ASP H 3.200 . 4.000 3.118 2.721 3.604 . 0 0 "[ . 1 .]" 1
866 1 71 PRO HB3 1 74 PHE H 4.000 . 6.500 6.228 5.245 6.526 0.026 9 0 "[ . 1 .]" 1
867 1 71 PRO HB2 1 72 ASP H 3.200 . 4.000 3.130 2.660 3.442 . 0 0 "[ . 1 .]" 1
868 1 71 PRO HB2 1 74 PHE H 4.000 . 6.500 4.795 3.832 5.263 . 0 0 "[ . 1 .]" 1
869 1 70 CYS HB3 1 71 PRO HD3 4.000 . 6.500 4.014 2.594 5.014 . 0 0 "[ . 1 .]" 1
870 1 70 CYS H 1 71 PRO HD3 4.000 . 6.500 4.758 4.372 5.082 . 0 0 "[ . 1 .]" 1
871 1 58 VAL H 1 71 PRO HD2 4.000 . 6.500 5.475 4.875 6.395 . 0 0 "[ . 1 .]" 1
872 1 70 CYS H 1 71 PRO HD2 4.000 . 6.500 4.832 4.554 5.136 . 0 0 "[ . 1 .]" 1
873 1 71 PRO HB2 1 71 PRO HD2 4.000 . 6.500 3.545 2.958 4.046 . 0 0 "[ . 1 .]" 1
874 1 71 PRO HG3 1 72 ASP H 4.000 . 6.500 5.024 4.669 5.480 . 0 0 "[ . 1 .]" 1
875 1 71 PRO HG2 1 72 ASP H 4.000 . 6.500 5.031 4.619 5.281 . 0 0 "[ . 1 .]" 1
876 1 72 ASP HA 1 73 GLY HA3 4.000 . 6.500 4.512 4.467 4.589 . 0 0 "[ . 1 .]" 1
877 1 72 ASP HA 1 73 GLY HA2 4.000 . 6.500 4.475 4.434 4.533 . 0 0 "[ . 1 .]" 1
878 1 72 ASP HA 1 73 GLY H 2.600 . 3.000 2.278 2.212 2.395 . 0 0 "[ . 1 .]" 1
879 1 72 ASP HA 1 74 PHE H 4.000 . 6.500 3.390 3.168 3.890 . 0 0 "[ . 1 .]" 1
880 1 72 ASP H 1 73 GLY H 4.000 . 6.500 4.627 4.602 4.639 . 0 0 "[ . 1 .]" 1
881 1 72 ASP H 1 74 PHE H 4.000 . 6.500 4.932 4.661 5.241 . 0 0 "[ . 1 .]" 1
882 1 73 GLY HA3 1 74 PHE H 4.000 . 6.500 3.350 2.764 3.507 . 0 0 "[ . 1 .]" 1
883 1 73 GLY HA2 1 74 PHE H 4.000 . 6.500 3.182 2.983 3.565 . 0 0 "[ . 1 .]" 1
884 1 73 GLY H 1 74 PHE H 3.200 . 4.000 2.798 2.636 3.362 . 0 0 "[ . 1 .]" 1
885 1 70 CYS H 1 74 PHE HB3 4.000 . 6.500 6.414 5.257 6.541 0.041 10 0 "[ . 1 .]" 1
886 1 74 PHE H 1 74 PHE HB3 3.200 . 4.000 3.659 3.430 3.779 . 0 0 "[ . 1 .]" 1
887 1 74 PHE HB3 1 75 GLN H 4.000 . 6.500 2.859 2.383 3.027 . 0 0 "[ . 1 .]" 1
888 1 74 PHE HB3 1 82 CYS HB3 4.000 . 6.500 3.730 3.412 4.134 . 0 0 "[ . 1 .]" 1
889 1 74 PHE HB3 1 82 CYS HB2 4.000 . 6.500 5.412 5.117 5.684 . 0 0 "[ . 1 .]" 1
890 1 74 PHE HB3 1 83 GLU H 4.000 . 6.500 3.891 2.840 4.960 . 0 0 "[ . 1 .]" 1
891 1 70 CYS H 1 74 PHE HB2 4.000 . 6.500 5.613 4.868 6.046 . 0 0 "[ . 1 .]" 1
892 1 74 PHE H 1 74 PHE HB2 2.600 . 3.000 2.478 2.268 2.660 . 0 0 "[ . 1 .]" 1
893 1 74 PHE HB2 1 75 GLN H 3.200 . 4.000 4.045 3.805 4.131 0.131 10 0 "[ . 1 .]" 1
894 1 74 PHE HB2 1 82 CYS HB3 4.000 . 6.500 4.871 4.768 4.996 . 0 0 "[ . 1 .]" 1
895 1 74 PHE HB2 1 82 CYS HB2 4.000 . 6.500 6.515 6.346 6.560 0.060 10 0 "[ . 1 .]" 1
896 1 74 PHE HB2 1 83 GLU H 4.000 . 6.500 5.524 4.544 6.528 0.028 4 0 "[ . 1 .]" 1
897 1 74 PHE H 1 75 GLN H 4.000 . 6.500 4.470 4.371 4.609 . 0 0 "[ . 1 .]" 1
898 1 70 CYS HB2 1 75 GLN HA 4.000 . 6.500 5.373 4.731 6.501 0.001 9 0 "[ . 1 .]" 1
899 1 70 CYS HB3 1 75 GLN HA 4.000 . 6.500 5.349 3.968 6.521 0.021 5 0 "[ . 1 .]" 1
900 1 74 PHE H 1 75 GLN HA 4.000 . 6.500 5.036 4.804 5.471 . 0 0 "[ . 1 .]" 1
901 1 75 GLN H 1 75 GLN HB3 4.000 . 6.500 3.342 2.559 3.743 . 0 0 "[ . 1 .]" 1
902 1 75 GLN HB3 1 76 LEU H 3.200 . 4.000 3.543 2.496 4.013 0.013 11 0 "[ . 1 .]" 1
903 1 75 GLN HB3 1 83 GLU H 4.000 . 6.500 4.471 3.818 5.515 . 0 0 "[ . 1 .]" 1
904 1 75 GLN H 1 75 GLN HB2 3.200 . 4.000 2.547 2.261 3.008 . 0 0 "[ . 1 .]" 1
905 1 75 GLN HB2 1 76 LEU H 4.000 . 6.500 4.304 3.807 4.604 . 0 0 "[ . 1 .]" 1
906 1 75 GLN HB2 1 83 GLU H 4.000 . 6.500 4.682 3.987 5.330 . 0 0 "[ . 1 .]" 1
907 1 75 GLN H 1 76 LEU H 4.000 . 6.500 4.304 3.998 4.521 . 0 0 "[ . 1 .]" 1
908 1 70 CYS HB2 1 76 LEU HA 4.000 . 6.500 4.622 4.001 5.233 . 0 0 "[ . 1 .]" 1
909 1 70 CYS HB3 1 76 LEU HA 4.000 . 6.500 5.145 4.838 5.719 . 0 0 "[ . 1 .]" 1
910 1 76 LEU HA 1 76 LEU HG 3.200 . 4.000 2.778 2.693 2.932 . 0 0 "[ . 1 .]" 1
911 1 76 LEU HA 1 77 VAL H 2.600 . 3.000 2.189 2.174 2.218 . 0 0 "[ . 1 .]" 1
912 1 76 LEU HA 1 81 ARG H 4.000 . 6.500 4.842 4.288 5.350 . 0 0 "[ . 1 .]" 1
913 1 76 LEU HA 1 82 CYS HA 4.000 . 6.500 2.021 1.788 2.419 0.012 9 0 "[ . 1 .]" 1
914 1 76 LEU HA 1 82 CYS HB3 4.000 . 6.500 4.536 4.095 4.998 . 0 0 "[ . 1 .]" 1
915 1 76 LEU HA 1 82 CYS HB2 4.000 . 6.500 4.916 4.632 5.243 . 0 0 "[ . 1 .]" 1
916 1 76 LEU HA 1 83 GLU H 4.000 . 6.500 2.616 1.965 3.256 . 0 0 "[ . 1 .]" 1
917 1 76 LEU H 1 76 LEU HB3 2.600 . 3.000 2.411 2.162 2.532 . 0 0 "[ . 1 .]" 1
918 1 76 LEU HB3 1 77 VAL H 4.000 . 6.500 4.426 4.400 4.502 . 0 0 "[ . 1 .]" 1
919 1 76 LEU H 1 76 LEU HB2 2.600 . 3.000 2.734 2.493 2.984 . 0 0 "[ . 1 .]" 1
920 1 76 LEU HB2 1 77 VAL H 4.000 . 6.500 4.379 4.100 4.524 . 0 0 "[ . 1 .]" 1
921 1 76 LEU HB2 1 80 ARG H 4.000 . 6.500 5.634 5.355 6.267 . 0 0 "[ . 1 .]" 1
922 1 76 LEU HB2 1 81 ARG H 4.000 . 6.500 5.754 4.742 6.230 . 0 0 "[ . 1 .]" 1
923 1 76 LEU H 1 76 LEU HG 4.000 . 6.500 4.412 4.350 4.449 . 0 0 "[ . 1 .]" 1
924 1 76 LEU HG 1 77 VAL H 4.000 . 6.500 3.159 2.934 3.399 . 0 0 "[ . 1 .]" 1
925 1 76 LEU HG 1 79 GLN H 4.000 . 6.500 3.861 3.484 5.617 . 0 0 "[ . 1 .]" 1
926 1 76 LEU HG 1 80 ARG H 4.000 . 6.500 2.792 2.454 3.565 . 0 0 "[ . 1 .]" 1
927 1 76 LEU HG 1 81 ARG H 4.000 . 6.500 3.084 2.384 3.549 . 0 0 "[ . 1 .]" 1
928 1 76 LEU H 1 77 VAL H 4.000 . 6.500 4.386 4.273 4.524 . 0 0 "[ . 1 .]" 1
929 1 77 VAL HA 1 78 ALA H 2.600 . 3.000 2.193 2.184 2.204 . 0 0 "[ . 1 .]" 1
930 1 77 VAL HA 1 79 GLN H 4.000 . 6.500 3.706 3.244 6.380 . 0 0 "[ . 1 .]" 1
931 1 77 VAL HA 1 80 ARG H 4.000 . 6.500 4.848 4.618 5.758 . 0 0 "[ . 1 .]" 1
932 1 77 VAL HA 1 81 ARG H 4.000 . 6.500 4.892 4.518 5.360 . 0 0 "[ . 1 .]" 1
933 1 77 VAL H 1 77 VAL HB 4.000 . 6.500 2.940 2.528 3.692 . 0 0 "[ . 1 .]" 1
934 1 77 VAL HB 1 78 ALA H 4.000 . 6.500 3.624 2.847 4.031 . 0 0 "[ . 1 .]" 1
935 1 77 VAL HB 1 80 ARG H 4.000 . 6.500 5.636 5.196 6.461 . 0 0 "[ . 1 .]" 1
936 1 77 VAL HB 1 81 ARG H 4.000 . 6.500 4.858 4.182 6.061 . 0 0 "[ . 1 .]" 1
937 1 77 VAL HB 1 83 GLU H 4.000 . 6.500 5.074 3.462 6.380 . 0 0 "[ . 1 .]" 1
938 1 77 VAL H 1 80 ARG H 4.000 . 6.500 4.656 4.299 5.431 . 0 0 "[ . 1 .]" 1
939 1 77 VAL H 1 81 ARG H 4.000 . 6.500 3.929 3.273 4.524 . 0 0 "[ . 1 .]" 1
940 1 77 VAL H 1 83 GLU H 4.000 . 6.500 3.026 2.212 3.991 . 0 0 "[ . 1 .]" 1
941 1 78 ALA HA 1 79 GLN H 3.200 . 4.000 3.029 2.615 3.121 . 0 0 "[ . 1 .]" 1
942 1 78 ALA HA 1 80 ARG H 4.000 . 6.500 4.332 4.270 4.448 . 0 0 "[ . 1 .]" 1
943 1 78 ALA HA 1 81 ARG H 4.000 . 6.500 4.917 4.785 5.466 . 0 0 "[ . 1 .]" 1
944 1 77 VAL H 1 78 ALA H 4.000 . 6.500 4.532 4.515 4.554 . 0 0 "[ . 1 .]" 1
945 1 78 ALA H 1 79 GLN H 4.000 . 6.500 2.798 2.483 4.633 . 0 0 "[ . 1 .]" 1
946 1 76 LEU HG 1 79 GLN HA 3.200 . 4.000 3.801 3.470 4.056 0.056 5 0 "[ . 1 .]" 1
947 1 78 ALA H 1 79 GLN HA 4.000 . 6.500 4.849 4.724 5.484 . 0 0 "[ . 1 .]" 1
948 1 79 GLN HA 1 80 ARG H 4.000 . 6.500 3.105 2.814 3.206 . 0 0 "[ . 1 .]" 1
949 1 79 GLN HA 1 81 ARG H 4.000 . 6.500 4.793 4.089 4.949 . 0 0 "[ . 1 .]" 1
950 1 79 GLN H 1 79 GLN HB3 4.000 . 6.500 3.998 3.528 4.111 . 0 0 "[ . 1 .]" 1
951 1 79 GLN HB3 1 80 ARG H 4.000 . 6.500 4.355 4.169 4.513 . 0 0 "[ . 1 .]" 1
952 1 79 GLN HB3 1 81 ARG H 4.000 . 6.500 6.078 5.888 6.277 . 0 0 "[ . 1 .]" 1
953 1 79 GLN H 1 79 GLN HB2 4.000 . 6.500 3.362 2.244 3.740 . 0 0 "[ . 1 .]" 1
954 1 79 GLN H 1 80 ARG H 4.000 . 6.500 2.732 2.596 3.193 . 0 0 "[ . 1 .]" 1
955 1 79 GLN H 1 81 ARG H 4.000 . 6.500 4.016 3.797 4.867 . 0 0 "[ . 1 .]" 1
956 1 68 CYS HB3 1 80 ARG HA 4.000 . 6.500 3.085 2.894 3.985 . 0 0 "[ . 1 .]" 1
957 1 80 ARG HA 1 80 ARG HD3 4.000 . 6.500 3.948 3.622 4.244 . 0 0 "[ . 1 .]" 1
958 1 80 ARG HA 1 80 ARG HD2 4.000 . 6.500 3.958 3.519 4.018 . 0 0 "[ . 1 .]" 1
959 1 80 ARG HA 1 81 ARG H 4.000 . 6.500 3.469 2.981 3.527 . 0 0 "[ . 1 .]" 1
960 1 55 CYS H 1 80 ARG HB3 4.000 . 6.500 4.938 4.852 5.754 . 0 0 "[ . 1 .]" 1
961 1 56 SER H 1 80 ARG HB3 4.000 . 6.500 4.695 4.420 5.408 . 0 0 "[ . 1 .]" 1
962 1 79 GLN H 1 80 ARG HB3 4.000 . 6.500 6.422 5.812 6.520 0.020 13 0 "[ . 1 .]" 1
963 1 80 ARG H 1 80 ARG HB3 4.000 . 6.500 3.914 3.859 3.966 . 0 0 "[ . 1 .]" 1
964 1 80 ARG HB3 1 81 ARG H 3.200 . 4.000 3.788 3.624 4.226 0.226 10 0 "[ . 1 .]" 1
965 1 55 CYS H 1 80 ARG HB2 4.000 . 6.500 6.628 6.601 6.762 0.262 10 0 "[ . 1 .]" 1
966 1 56 SER H 1 80 ARG HB2 4.000 . 6.500 6.334 6.113 6.538 0.038 10 0 "[ . 1 .]" 1
967 1 80 ARG H 1 80 ARG HB2 4.000 . 6.500 2.951 2.848 3.027 . 0 0 "[ . 1 .]" 1
968 1 80 ARG HB2 1 81 ARG H 4.000 . 6.500 3.097 2.854 4.100 . 0 0 "[ . 1 .]" 1
969 1 54 GLY H 1 80 ARG HD3 4.000 . 6.500 6.411 4.777 6.546 0.046 3 0 "[ . 1 .]" 1
970 1 55 CYS H 1 80 ARG HD3 4.000 . 6.500 4.747 3.867 5.273 . 0 0 "[ . 1 .]" 1
971 1 56 SER H 1 80 ARG HD3 4.000 . 6.500 5.627 4.763 6.216 . 0 0 "[ . 1 .]" 1
972 1 80 ARG HB3 1 80 ARG HD3 3.200 . 4.000 3.105 3.041 3.269 . 0 0 "[ . 1 .]" 1
973 1 80 ARG HB2 1 80 ARG HD3 4.000 . 6.500 3.935 3.912 4.077 . 0 0 "[ . 1 .]" 1
974 1 80 ARG H 1 80 ARG HD3 4.000 . 6.500 5.984 5.899 6.083 . 0 0 "[ . 1 .]" 1
975 1 54 GLY H 1 80 ARG HD2 4.000 . 6.500 6.501 5.880 6.587 0.087 3 0 "[ . 1 .]" 1
976 1 55 CYS H 1 80 ARG HD2 4.000 . 6.500 4.853 4.762 5.144 . 0 0 "[ . 1 .]" 1
977 1 56 SER H 1 80 ARG HD2 4.000 . 6.500 5.305 5.074 5.635 . 0 0 "[ . 1 .]" 1
978 1 80 ARG HB3 1 80 ARG HD2 2.600 . 3.000 2.014 1.962 2.043 . 0 0 "[ . 1 .]" 1
979 1 80 ARG HB2 1 80 ARG HD2 4.000 . 6.500 2.936 2.888 3.244 . 0 0 "[ . 1 .]" 1
980 1 80 ARG H 1 80 ARG HD2 4.000 . 6.500 5.535 5.480 5.588 . 0 0 "[ . 1 .]" 1
981 1 80 ARG H 1 81 ARG H 2.600 . 3.000 1.795 1.768 1.836 0.032 15 0 "[ . 1 .]" 1
982 1 56 SER HA 1 81 ARG HA 4.000 . 6.500 4.417 4.187 4.520 . 0 0 "[ . 1 .]" 1
983 1 56 SER H 1 81 ARG HA 4.000 . 6.500 5.335 5.202 5.504 . 0 0 "[ . 1 .]" 1
984 1 57 HIS HE1 1 81 ARG HA 4.000 . 6.500 6.547 6.525 6.573 0.073 9 0 "[ . 1 .]" 1
985 1 77 VAL HA 1 81 ARG HA 4.000 . 6.500 6.673 6.606 6.733 0.233 8 0 "[ . 1 .]" 1
986 1 80 ARG H 1 81 ARG HA 4.000 . 6.500 4.465 4.431 4.484 . 0 0 "[ . 1 .]" 1
987 1 81 ARG HA 1 82 CYS H 2.600 . 3.000 2.277 2.109 2.457 . 0 0 "[ . 1 .]" 1
988 1 81 ARG H 1 82 CYS H 4.000 . 6.500 4.541 4.338 4.608 . 0 0 "[ . 1 .]" 1
989 1 57 HIS HD2 1 82 CYS HA 4.000 . 6.500 6.565 6.533 6.580 0.080 10 0 "[ . 1 .]" 1
990 1 57 HIS HE1 1 82 CYS HA 4.000 . 6.500 5.151 4.968 5.356 . 0 0 "[ . 1 .]" 1
991 1 75 GLN H 1 82 CYS HA 4.000 . 6.500 5.021 4.134 5.797 . 0 0 "[ . 1 .]" 1
992 1 76 LEU H 1 82 CYS HA 4.000 . 6.500 4.409 4.192 4.640 . 0 0 "[ . 1 .]" 1
993 1 77 VAL H 1 82 CYS HA 4.000 . 6.500 3.126 2.736 3.897 . 0 0 "[ . 1 .]" 1
994 1 82 CYS HA 1 83 GLU H 2.600 . 3.000 2.196 2.161 2.290 . 0 0 "[ . 1 .]" 1
995 1 57 HIS HD2 1 82 CYS HB3 4.000 . 6.500 5.339 5.036 5.635 . 0 0 "[ . 1 .]" 1
996 1 57 HIS HE1 1 82 CYS HB3 2.600 . 3.000 2.892 2.560 3.027 0.027 8 0 "[ . 1 .]" 1
997 1 82 CYS H 1 82 CYS HB3 3.200 . 4.000 3.570 3.511 3.734 . 0 0 "[ . 1 .]" 1
998 1 82 CYS HB3 1 83 GLU H 4.000 . 6.500 3.557 2.736 3.879 . 0 0 "[ . 1 .]" 1
999 1 57 HIS HD2 1 82 CYS HB2 4.000 . 6.500 3.833 3.638 4.065 . 0 0 "[ . 1 .]" 1
1000 1 57 HIS HE1 1 82 CYS HB2 3.200 . 4.000 2.733 2.518 2.960 . 0 0 "[ . 1 .]" 1
1001 1 82 CYS H 1 82 CYS HB2 4.000 . 6.500 2.355 2.253 2.607 . 0 0 "[ . 1 .]" 1
1002 1 82 CYS H 1 83 GLU H 4.000 . 6.500 4.283 3.923 4.529 . 0 0 "[ . 1 .]" 1
1003 1 75 GLN H 1 83 GLU HA 4.000 . 6.500 4.073 3.319 4.563 . 0 0 "[ . 1 .]" 1
1004 1 76 LEU H 1 83 GLU HA 4.000 . 6.500 6.561 6.503 6.646 0.146 11 0 "[ . 1 .]" 1
1005 1 82 CYS HA 1 83 GLU HA 4.000 . 6.500 4.346 4.291 4.442 . 0 0 "[ . 1 .]" 1
1006 1 83 GLU H 1 83 GLU HB3 3.200 . 4.000 3.266 2.576 3.855 . 0 0 "[ . 1 .]" 1
1007 1 83 GLU H 1 83 GLU HB2 3.200 . 4.000 3.024 2.370 3.861 . 0 0 "[ . 1 .]" 1
1008 1 3 VAL HA 1 3 VAL QG 2.600 . 3.500 2.182 2.103 2.318 . 0 0 "[ . 1 .]" 1
1009 1 3 VAL H 1 3 VAL QG 4.000 . 7.000 2.045 1.893 2.565 . 0 0 "[ . 1 .]" 1
1010 1 3 VAL QG 1 4 THR H 4.000 . 7.000 3.306 2.267 3.643 . 0 0 "[ . 1 .]" 1
1011 1 4 THR HA 1 4 THR MG 3.200 . 4.500 2.415 2.214 3.215 . 0 0 "[ . 1 .]" 1
1012 1 4 THR H 1 4 THR MG 4.000 . 7.000 3.085 1.983 3.931 . 0 0 "[ . 1 .]" 1
1013 1 4 THR MG 1 5 LEU H 4.000 . 7.000 3.582 2.322 4.199 . 0 0 "[ . 1 .]" 1
1014 1 5 LEU HA 1 5 LEU MD1 4.000 . 7.000 3.173 1.972 4.090 . 0 0 "[ . 1 .]" 1
1015 1 5 LEU HA 1 5 LEU MD2 2.600 . 3.500 2.553 1.959 3.504 0.004 9 0 "[ . 1 .]" 1
1016 1 5 LEU HB3 1 5 LEU MD1 2.600 . 3.500 2.532 2.198 3.117 . 0 0 "[ . 1 .]" 1
1017 1 5 LEU HB2 1 5 LEU MD1 2.600 . 3.500 2.545 1.969 3.196 . 0 0 "[ . 1 .]" 1
1018 1 5 LEU H 1 5 LEU MD1 4.000 . 7.000 3.960 1.970 4.580 . 0 0 "[ . 1 .]" 1
1019 1 5 LEU MD1 1 7 GLU H 4.000 . 7.000 5.288 1.844 7.008 0.008 7 0 "[ . 1 .]" 1
1020 1 5 LEU H 1 5 LEU MD2 4.000 . 7.000 3.734 2.167 4.738 . 0 0 "[ . 1 .]" 1
1021 1 6 CYS HA 1 7 GLU QG 4.000 . 7.000 5.069 3.827 6.224 . 0 0 "[ . 1 .]" 1
1022 1 6 CYS QB 1 19 CYS H 4.000 . 7.000 5.736 4.487 6.742 . 0 0 "[ . 1 .]" 1
1023 1 6 CYS QB 1 20 ILE H 4.000 . 7.000 5.889 3.542 6.835 . 0 0 "[ . 1 .]" 1
1024 1 7 GLU H 1 7 GLU QG 4.000 . 7.000 3.243 2.032 4.175 . 0 0 "[ . 1 .]" 1
1025 1 7 GLU QG 1 8 GLY H 4.000 . 7.000 3.462 2.514 4.354 . 0 0 "[ . 1 .]" 1
1026 1 7 GLU QG 1 8 GLY HA3 4.000 . 7.000 4.921 3.547 5.999 . 0 0 "[ . 1 .]" 1
1027 1 10 ASN HA 1 22 LEU QD 4.000 . 7.500 1.862 1.783 1.999 0.017 3 0 "[ . 1 .]" 1
1028 1 11 LYS HA 1 11 LYS QD 4.000 . 7.000 3.441 1.941 4.265 . 0 0 "[ . 1 .]" 1
1029 1 11 LYS HA 1 11 LYS QE 4.000 . 7.000 4.668 3.485 5.466 . 0 0 "[ . 1 .]" 1
1030 1 11 LYS HA 1 21 THR MG 3.200 . 4.500 4.524 4.506 4.542 0.042 14 0 "[ . 1 .]" 1
1031 1 10 ASN H 1 11 LYS QD 4.000 . 7.000 5.505 3.575 6.639 . 0 0 "[ . 1 .]" 1
1032 1 11 LYS H 1 11 LYS QD 4.000 . 7.000 3.874 3.002 4.858 . 0 0 "[ . 1 .]" 1
1033 1 11 LYS QD 1 12 PHE H 4.000 . 7.000 3.417 2.265 4.738 . 0 0 "[ . 1 .]" 1
1034 1 7 GLU H 1 11 LYS QD 4.000 . 7.000 4.719 2.201 6.803 . 0 0 "[ . 1 .]" 1
1035 1 11 LYS H 1 11 LYS QE 4.000 . 7.000 4.840 3.956 5.842 . 0 0 "[ . 1 .]" 1
1036 1 11 LYS QE 1 12 PHE H 4.000 . 7.000 4.755 2.349 6.060 . 0 0 "[ . 1 .]" 1
1037 1 7 GLU H 1 11 LYS QE 4.000 . 7.000 4.942 2.699 7.005 0.005 2 0 "[ . 1 .]" 1
1038 1 12 PHE HA 1 12 PHE QD 2.600 . 3.500 2.988 2.579 3.148 . 0 0 "[ . 1 .]" 1
1039 1 12 PHE HA 1 12 PHE QE 4.000 . 7.000 4.594 4.439 4.723 . 0 0 "[ . 1 .]" 1
1040 1 12 PHE HB3 1 12 PHE QD 2.600 . 3.500 2.435 2.291 2.559 . 0 0 "[ . 1 .]" 1
1041 1 12 PHE HB3 1 22 LEU QD 4.000 . 7.500 5.250 4.776 5.742 . 0 0 "[ . 1 .]" 1
1042 1 12 PHE HB3 1 25 VAL MG2 4.000 . 7.000 3.809 3.017 4.276 . 0 0 "[ . 1 .]" 1
1043 1 12 PHE HB2 1 12 PHE QD 2.600 . 3.500 2.352 2.278 2.518 . 0 0 "[ . 1 .]" 1
1044 1 12 PHE HB2 1 22 LEU QD 4.000 . 7.500 4.033 3.491 4.505 . 0 0 "[ . 1 .]" 1
1045 1 12 PHE HB2 1 25 VAL MG2 4.000 . 7.000 3.426 2.730 3.753 . 0 0 "[ . 1 .]" 1
1046 1 12 PHE H 1 12 PHE QD 4.000 . 7.000 4.417 4.321 4.517 . 0 0 "[ . 1 .]" 1
1047 1 12 PHE QD 1 13 LYS H 4.000 . 7.000 3.036 2.631 3.381 . 0 0 "[ . 1 .]" 1
1048 1 12 PHE QD 1 14 CYS H 4.000 . 7.000 3.799 3.188 4.561 . 0 0 "[ . 1 .]" 1
1049 1 12 PHE QD 1 20 ILE H 4.000 . 7.000 3.951 3.534 4.773 . 0 0 "[ . 1 .]" 1
1050 1 12 PHE H 1 12 PHE QE 4.000 . 7.000 6.439 6.380 6.509 . 0 0 "[ . 1 .]" 1
1051 1 12 PHE QE 1 13 LYS H 4.000 . 7.000 4.050 3.793 4.262 . 0 0 "[ . 1 .]" 1
1052 1 12 PHE QE 1 14 CYS H 4.000 . 7.000 4.572 3.811 5.438 . 0 0 "[ . 1 .]" 1
1053 1 13 LYS HB3 1 13 LYS QG 2.600 . 3.500 2.230 2.133 2.369 . 0 0 "[ . 1 .]" 1
1054 1 13 LYS HB2 1 13 LYS QG 2.600 . 3.500 2.430 2.318 2.525 . 0 0 "[ . 1 .]" 1
1055 1 13 LYS HB2 1 13 LYS QD 2.600 . 3.500 2.592 2.155 2.903 . 0 0 "[ . 1 .]" 1
1056 1 13 LYS H 1 13 LYS QD 4.000 . 7.000 3.766 2.544 4.144 . 0 0 "[ . 1 .]" 1
1057 1 13 LYS QD 1 14 CYS H 4.000 . 7.000 4.974 3.523 5.868 . 0 0 "[ . 1 .]" 1
1058 1 13 LYS H 1 13 LYS QG 4.000 . 7.000 2.020 1.884 2.197 . 0 0 "[ . 1 .]" 1
1059 1 13 LYS QG 1 14 CYS H 4.000 . 7.000 4.422 4.234 4.579 . 0 0 "[ . 1 .]" 1
1060 1 12 PHE QD 1 14 CYS HA 4.000 . 7.000 3.754 3.366 4.075 . 0 0 "[ . 1 .]" 1
1061 1 12 PHE QE 1 14 CYS HA 2.600 . 3.500 2.820 2.284 3.503 0.003 2 0 "[ . 1 .]" 1
1062 1 16 SER QB 1 34 ASP HB2 4.000 . 7.000 4.199 2.980 5.549 . 0 0 "[ . 1 .]" 1
1063 1 16 SER QB 1 34 ASP HB3 4.000 . 7.000 5.305 3.915 6.470 . 0 0 "[ . 1 .]" 1
1064 1 16 SER QB 1 34 ASP H 4.000 . 7.000 4.319 3.650 5.497 . 0 0 "[ . 1 .]" 1
1065 1 13 LYS QG 1 17 GLY HA3 4.000 . 7.000 6.989 6.827 7.065 0.065 10 0 "[ . 1 .]" 1
1066 1 12 PHE QD 1 19 CYS HA 4.000 . 7.000 4.948 4.480 5.684 . 0 0 "[ . 1 .]" 1
1067 1 19 CYS HA 1 20 ILE MG 4.000 . 7.000 4.056 3.663 4.291 . 0 0 "[ . 1 .]" 1
1068 1 20 ILE HA 1 20 ILE MD 4.000 . 7.000 4.111 3.761 4.185 . 0 0 "[ . 1 .]" 1
1069 1 20 ILE HA 1 20 ILE MG 2.600 . 3.500 2.248 2.132 2.363 . 0 0 "[ . 1 .]" 1
1070 1 20 ILE HA 1 21 THR MG 4.000 . 7.000 4.409 3.302 5.602 . 0 0 "[ . 1 .]" 1
1071 1 20 ILE HA 1 24 LYS QE 4.000 . 7.000 4.208 3.772 6.230 . 0 0 "[ . 1 .]" 1
1072 1 12 PHE QD 1 20 ILE HB 4.000 . 7.000 5.056 4.704 5.719 . 0 0 "[ . 1 .]" 1
1073 1 20 ILE HB 1 20 ILE MD 2.600 . 3.500 2.381 2.107 2.527 . 0 0 "[ . 1 .]" 1
1074 1 12 PHE QD 1 20 ILE MD 2.600 . 4.000 2.787 2.248 3.398 . 0 0 "[ . 1 .]" 1
1075 1 12 PHE H 1 20 ILE MD 4.000 . 7.000 5.353 4.229 6.090 . 0 0 "[ . 1 .]" 1
1076 1 13 LYS H 1 20 ILE MD 4.000 . 7.000 5.309 4.436 5.930 . 0 0 "[ . 1 .]" 1
1077 1 14 CYS H 1 20 ILE MD 4.000 . 7.000 4.195 3.471 4.918 . 0 0 "[ . 1 .]" 1
1078 1 20 ILE H 1 20 ILE MD 4.000 . 7.000 3.859 3.211 4.039 . 0 0 "[ . 1 .]" 1
1079 1 20 ILE MD 1 21 THR H 4.000 . 7.000 3.935 2.841 4.271 . 0 0 "[ . 1 .]" 1
1080 1 20 ILE MD 1 31 ASP H 4.000 . 7.000 5.478 4.748 6.354 . 0 0 "[ . 1 .]" 1
1081 1 20 ILE MD 1 32 CYS H 4.000 . 7.000 4.966 3.193 6.448 . 0 0 "[ . 1 .]" 1
1082 1 12 PHE QD 1 20 ILE HG13 3.200 . 4.500 2.753 2.344 3.594 . 0 0 "[ . 1 .]" 1
1083 1 12 PHE QE 1 20 ILE HG13 4.000 . 7.000 4.757 4.297 5.650 . 0 0 "[ . 1 .]" 1
1084 1 12 PHE QD 1 20 ILE HG12 3.200 . 4.500 3.136 2.663 3.923 . 0 0 "[ . 1 .]" 1
1085 1 12 PHE QE 1 20 ILE HG12 4.000 . 7.000 4.975 4.354 5.653 . 0 0 "[ . 1 .]" 1
1086 1 12 PHE QD 1 20 ILE MG 3.200 . 5.000 4.833 4.457 5.016 0.016 1 0 "[ . 1 .]" 1
1087 1 12 PHE H 1 20 ILE MG 4.000 . 7.000 5.508 4.990 5.953 . 0 0 "[ . 1 .]" 1
1088 1 13 LYS H 1 20 ILE MG 4.000 . 7.000 6.662 6.041 7.013 0.013 3 0 "[ . 1 .]" 1
1089 1 14 CYS H 1 20 ILE MG 4.000 . 7.000 4.841 3.965 5.369 . 0 0 "[ . 1 .]" 1
1090 1 19 CYS H 1 20 ILE MG 4.000 . 7.000 3.866 3.307 4.357 . 0 0 "[ . 1 .]" 1
1091 1 20 ILE H 1 20 ILE MG 3.200 . 4.500 3.288 3.045 3.440 . 0 0 "[ . 1 .]" 1
1092 1 20 ILE MG 1 21 THR H 3.200 . 4.500 3.410 3.164 3.677 . 0 0 "[ . 1 .]" 1
1093 1 20 ILE MG 1 31 ASP H 4.000 . 7.000 6.790 6.088 7.018 0.018 13 0 "[ . 1 .]" 1
1094 1 20 ILE MG 1 32 CYS H 4.000 . 7.000 6.160 4.899 6.667 . 0 0 "[ . 1 .]" 1
1095 1 21 THR HA 1 21 THR MG 2.600 . 3.500 2.546 2.292 2.786 . 0 0 "[ . 1 .]" 1
1096 1 21 THR HA 1 22 LEU QD 4.000 . 7.500 4.463 4.366 4.521 . 0 0 "[ . 1 .]" 1
1097 1 21 THR HB 1 22 LEU QD 4.000 . 7.500 4.889 4.417 5.410 . 0 0 "[ . 1 .]" 1
1098 1 21 THR HB 1 25 VAL MG2 4.000 . 7.000 6.012 5.406 6.504 . 0 0 "[ . 1 .]" 1
1099 1 10 ASN HD21 1 21 THR MG 4.000 . 7.000 3.725 2.317 6.555 . 0 0 "[ . 1 .]" 1
1100 1 10 ASN HD22 1 21 THR MG 4.000 . 7.000 4.364 3.462 5.928 . 0 0 "[ . 1 .]" 1
1101 1 20 ILE H 1 21 THR MG 4.000 . 7.000 5.749 5.088 6.478 . 0 0 "[ . 1 .]" 1
1102 1 21 THR H 1 21 THR MG 3.200 . 4.500 2.795 1.925 3.757 . 0 0 "[ . 1 .]" 1
1103 1 21 THR MG 1 22 LEU H 3.200 . 4.500 3.231 1.970 4.263 . 0 0 "[ . 1 .]" 1
1104 1 21 THR MG 1 23 ASP H 4.000 . 7.000 3.230 1.870 4.523 . 0 0 "[ . 1 .]" 1
1105 1 12 PHE QD 1 22 LEU HA 4.000 . 7.000 2.993 2.222 3.977 . 0 0 "[ . 1 .]" 1
1106 1 21 THR MG 1 22 LEU HA 4.000 . 7.000 4.943 4.055 5.697 . 0 0 "[ . 1 .]" 1
1107 1 22 LEU HA 1 22 LEU QD 2.600 . 4.000 3.348 3.318 3.376 . 0 0 "[ . 1 .]" 1
1108 1 22 LEU HA 1 25 VAL MG1 4.000 . 7.000 4.402 3.629 4.713 . 0 0 "[ . 1 .]" 1
1109 1 22 LEU HA 1 25 VAL MG2 2.600 . 3.500 2.096 1.934 2.372 . 0 0 "[ . 1 .]" 1
1110 1 22 LEU HB3 1 22 LEU QD 2.600 . 4.000 2.100 2.009 2.200 . 0 0 "[ . 1 .]" 1
1111 1 22 LEU HB3 1 25 VAL MG2 4.000 . 7.000 3.689 3.438 4.172 . 0 0 "[ . 1 .]" 1
1112 1 22 LEU HB2 1 22 LEU QD 2.600 . 4.000 2.002 1.962 2.038 . 0 0 "[ . 1 .]" 1
1113 1 22 LEU HB2 1 25 VAL MG2 4.000 . 7.000 2.898 2.430 3.894 . 0 0 "[ . 1 .]" 1
1114 1 10 ASN H 1 22 LEU QD 4.000 . 7.500 3.683 1.887 4.211 . 0 0 "[ . 1 .]" 1
1115 1 11 LYS H 1 22 LEU QD 4.000 . 7.500 3.312 2.244 3.969 . 0 0 "[ . 1 .]" 1
1116 1 12 PHE QD 1 22 LEU QD 3.200 . 5.500 4.048 3.247 4.845 . 0 0 "[ . 1 .]" 1
1117 1 12 PHE QE 1 22 LEU QD 4.000 . 8.000 5.237 4.390 5.977 . 0 0 "[ . 1 .]" 1
1118 1 12 PHE H 1 22 LEU QD 4.000 . 7.500 5.205 4.615 5.627 . 0 0 "[ . 1 .]" 1
1119 1 12 PHE HZ 1 22 LEU QD 4.000 . 7.500 6.957 6.121 7.506 0.006 13 0 "[ . 1 .]" 1
1120 1 22 LEU H 1 22 LEU QD 4.000 . 7.500 2.983 2.917 3.020 . 0 0 "[ . 1 .]" 1
1121 1 22 LEU QD 1 23 ASP H 4.000 . 7.500 2.398 2.168 2.613 . 0 0 "[ . 1 .]" 1
1122 1 22 LEU QD 1 24 LYS H 4.000 . 7.500 4.586 4.447 4.713 . 0 0 "[ . 1 .]" 1
1123 1 22 LEU QD 1 25 VAL MG1 4.000 . 8.000 4.347 4.060 4.508 . 0 0 "[ . 1 .]" 1
1124 1 22 LEU QD 1 25 VAL MG2 2.600 . 4.500 3.601 3.269 4.395 . 0 0 "[ . 1 .]" 1
1125 1 22 LEU QD 1 25 VAL H 4.000 . 7.500 4.151 4.074 4.253 . 0 0 "[ . 1 .]" 1
1126 1 22 LEU QD 1 64 ILE MD 4.000 . 8.000 5.714 5.383 6.019 . 0 0 "[ . 1 .]" 1
1127 1 22 LEU QD 1 64 ILE MG 2.600 . 4.500 4.457 4.093 4.535 0.035 15 0 "[ . 1 .]" 1
1128 1 22 LEU QD 1 64 ILE H 4.000 . 7.500 6.842 6.252 7.087 . 0 0 "[ . 1 .]" 1
1129 1 12 PHE QD 1 22 LEU HG 4.000 . 7.000 5.423 4.516 6.478 . 0 0 "[ . 1 .]" 1
1130 1 22 LEU HG 1 25 VAL MG2 4.000 . 7.000 4.909 4.660 5.496 . 0 0 "[ . 1 .]" 1
1131 1 21 THR MG 1 23 ASP HA 4.000 . 7.000 5.133 3.766 6.435 . 0 0 "[ . 1 .]" 1
1132 1 23 ASP HB3 1 25 VAL MG1 4.000 . 7.000 7.046 7.013 7.096 0.096 1 0 "[ . 1 .]" 1
1133 1 23 ASP HB3 1 25 VAL MG2 4.000 . 7.000 6.360 6.148 7.010 0.010 5 0 "[ . 1 .]" 1
1134 1 23 ASP HB2 1 25 VAL MG1 4.000 . 7.000 7.047 6.829 7.113 0.113 15 0 "[ . 1 .]" 1
1135 1 23 ASP HB2 1 25 VAL MG2 4.000 . 7.000 5.790 5.594 6.236 . 0 0 "[ . 1 .]" 1
1136 1 24 LYS HA 1 24 LYS QE 4.000 . 7.000 5.214 3.862 5.435 . 0 0 "[ . 1 .]" 1
1137 1 20 ILE MD 1 24 LYS HB3 4.000 . 7.000 6.180 5.788 6.373 . 0 0 "[ . 1 .]" 1
1138 1 20 ILE MD 1 24 LYS HB2 4.000 . 7.000 5.404 5.212 5.651 . 0 0 "[ . 1 .]" 1
1139 1 21 THR H 1 24 LYS QE 4.000 . 7.000 2.579 1.914 4.639 . 0 0 "[ . 1 .]" 1
1140 1 24 LYS H 1 24 LYS QE 4.000 . 7.000 3.866 2.970 4.347 . 0 0 "[ . 1 .]" 1
1141 1 24 LYS QE 1 25 VAL H 4.000 . 7.000 4.438 2.599 4.860 . 0 0 "[ . 1 .]" 1
1142 1 24 LYS QE 1 27 ASN HD21 4.000 . 7.000 6.201 5.115 6.783 . 0 0 "[ . 1 .]" 1
1143 1 24 LYS QE 1 27 ASN HD22 4.000 . 7.000 5.603 5.083 6.252 . 0 0 "[ . 1 .]" 1
1144 1 24 LYS QE 1 25 VAL HA 4.000 . 7.000 3.994 1.981 4.499 . 0 0 "[ . 1 .]" 1
1145 1 25 VAL HA 1 25 VAL MG1 3.200 . 4.500 2.744 2.625 2.924 . 0 0 "[ . 1 .]" 1
1146 1 25 VAL HB 1 64 ILE MD 3.200 . 4.500 4.510 4.434 4.523 0.023 14 0 "[ . 1 .]" 1
1147 1 25 VAL HB 1 64 ILE MG 3.200 . 4.500 4.109 3.723 4.512 0.012 5 0 "[ . 1 .]" 1
1148 1 12 PHE QD 1 25 VAL MG1 4.000 . 7.500 4.423 3.808 5.085 . 0 0 "[ . 1 .]" 1
1149 1 12 PHE QE 1 25 VAL MG1 4.000 . 7.500 3.551 2.681 4.342 . 0 0 "[ . 1 .]" 1
1150 1 12 PHE HZ 1 25 VAL MG1 4.000 . 7.000 4.319 3.637 5.025 . 0 0 "[ . 1 .]" 1
1151 1 24 LYS H 1 25 VAL MG1 4.000 . 7.000 6.030 5.807 6.103 . 0 0 "[ . 1 .]" 1
1152 1 25 VAL MG1 1 25 VAL MG2 2.600 . 4.000 2.074 2.043 2.093 . 0 0 "[ . 1 .]" 1
1153 1 25 VAL H 1 25 VAL MG1 4.000 . 7.000 3.560 3.395 3.645 . 0 0 "[ . 1 .]" 1
1154 1 25 VAL MG1 1 26 CYS H 3.200 . 4.500 2.606 2.261 2.891 . 0 0 "[ . 1 .]" 1
1155 1 25 VAL MG1 1 27 ASN H 4.000 . 7.000 4.668 4.416 4.934 . 0 0 "[ . 1 .]" 1
1156 1 25 VAL MG1 1 63 LYS H 4.000 . 7.000 4.493 3.711 5.045 . 0 0 "[ . 1 .]" 1
1157 1 25 VAL MG1 1 64 ILE H 4.000 . 7.000 3.684 2.975 4.211 . 0 0 "[ . 1 .]" 1
1158 1 12 PHE QD 1 25 VAL MG2 2.600 . 4.000 2.692 2.075 3.232 . 0 0 "[ . 1 .]" 1
1159 1 12 PHE QE 1 25 VAL MG2 4.000 . 7.500 2.669 2.202 3.213 . 0 0 "[ . 1 .]" 1
1160 1 12 PHE H 1 25 VAL MG2 4.000 . 7.000 5.980 5.254 6.327 . 0 0 "[ . 1 .]" 1
1161 1 12 PHE HZ 1 25 VAL MG2 4.000 . 7.000 3.438 3.046 4.058 . 0 0 "[ . 1 .]" 1
1162 1 13 LYS H 1 25 VAL MG2 4.000 . 7.000 5.603 5.096 6.163 . 0 0 "[ . 1 .]" 1
1163 1 21 THR H 1 25 VAL MG2 4.000 . 7.000 5.798 5.225 6.116 . 0 0 "[ . 1 .]" 1
1164 1 22 LEU H 1 25 VAL MG2 4.000 . 7.000 4.450 4.302 4.643 . 0 0 "[ . 1 .]" 1
1165 1 23 ASP H 1 25 VAL MG2 4.000 . 7.000 4.493 4.284 5.041 . 0 0 "[ . 1 .]" 1
1166 1 24 LYS H 1 25 VAL MG2 4.000 . 7.000 4.668 4.429 5.059 . 0 0 "[ . 1 .]" 1
1167 1 25 VAL H 1 25 VAL MG2 2.600 . 3.500 2.845 2.614 3.192 . 0 0 "[ . 1 .]" 1
1168 1 25 VAL MG2 1 26 CYS H 4.000 . 7.000 3.455 2.990 3.654 . 0 0 "[ . 1 .]" 1
1169 1 25 VAL MG2 1 64 ILE H 4.000 . 7.000 5.706 4.842 6.329 . 0 0 "[ . 1 .]" 1
1170 1 25 VAL MG1 1 26 CYS HA 4.000 . 7.000 3.750 3.502 4.008 . 0 0 "[ . 1 .]" 1
1171 1 26 CYS HA 1 64 ILE MD 4.000 . 7.000 5.075 4.385 5.859 . 0 0 "[ . 1 .]" 1
1172 1 25 VAL MG1 1 26 CYS HB2 4.000 . 7.000 2.539 2.168 2.779 . 0 0 "[ . 1 .]" 1
1173 1 25 VAL MG2 1 26 CYS HB2 4.000 . 7.000 4.757 4.436 4.960 . 0 0 "[ . 1 .]" 1
1174 1 25 VAL MG1 1 26 CYS HB3 4.000 . 7.000 2.878 2.642 3.666 . 0 0 "[ . 1 .]" 1
1175 1 27 ASN HB3 1 29 ALA MB 4.000 . 7.000 5.078 4.857 5.267 . 0 0 "[ . 1 .]" 1
1176 1 27 ASN HB2 1 29 ALA MB 4.000 . 7.000 3.904 3.722 4.174 . 0 0 "[ . 1 .]" 1
1177 1 28 MET HA 1 28 MET ME 4.000 . 7.000 3.986 2.505 5.331 . 0 0 "[ . 1 .]" 1
1178 1 28 MET H 1 28 MET ME 4.000 . 7.000 4.365 2.900 5.437 . 0 0 "[ . 1 .]" 1
1179 1 28 MET ME 1 29 ALA H 4.000 . 7.000 5.305 4.184 6.255 . 0 0 "[ . 1 .]" 1
1180 1 27 ASN HD21 1 29 ALA MB 4.000 . 7.000 3.125 2.314 3.672 . 0 0 "[ . 1 .]" 1
1181 1 27 ASN HD22 1 29 ALA MB 4.000 . 7.000 3.084 2.428 3.738 . 0 0 "[ . 1 .]" 1
1182 1 27 ASN H 1 29 ALA MB 4.000 . 7.000 5.741 5.379 6.149 . 0 0 "[ . 1 .]" 1
1183 1 28 MET H 1 29 ALA MB 4.000 . 7.000 4.435 3.967 4.952 . 0 0 "[ . 1 .]" 1
1184 1 29 ALA H 1 29 ALA MB 2.600 . 3.500 2.255 2.105 2.429 . 0 0 "[ . 1 .]" 1
1185 1 29 ALA MB 1 30 ARG H 4.000 . 7.000 2.558 2.219 3.221 . 0 0 "[ . 1 .]" 1
1186 1 29 ALA MB 1 31 ASP H 4.000 . 7.000 5.278 5.038 5.388 . 0 0 "[ . 1 .]" 1
1187 1 30 ARG QB 1 32 CYS H 4.000 . 7.000 4.178 2.867 5.716 . 0 0 "[ . 1 .]" 1
1188 1 30 ARG QB 1 35 TRP HD1 4.000 . 7.000 5.653 4.001 6.716 . 0 0 "[ . 1 .]" 1
1189 1 30 ARG QB 1 35 TRP HE1 4.000 . 7.000 4.515 3.350 6.161 . 0 0 "[ . 1 .]" 1
1190 1 30 ARG QB 1 35 TRP HE3 4.000 . 7.000 5.676 3.477 7.006 0.006 14 0 "[ . 1 .]" 1
1191 1 30 ARG QB 1 35 TRP HH2 4.000 . 7.000 4.429 2.814 7.013 0.013 8 0 "[ . 1 .]" 1
1192 1 30 ARG QB 1 35 TRP HZ2 4.000 . 7.000 3.796 2.302 6.886 . 0 0 "[ . 1 .]" 1
1193 1 30 ARG QB 1 35 TRP HZ3 4.000 . 7.000 5.352 3.124 6.423 . 0 0 "[ . 1 .]" 1
1194 1 20 ILE MD 1 31 ASP HB3 3.200 . 4.500 2.873 2.158 4.063 . 0 0 "[ . 1 .]" 1
1195 1 20 ILE MD 1 31 ASP HB2 3.200 . 4.500 3.829 2.508 4.330 . 0 0 "[ . 1 .]" 1
1196 1 33 ARG HA 1 33 ARG QD 4.000 . 7.000 3.162 1.968 4.000 . 0 0 "[ . 1 .]" 1
1197 1 33 ARG HB3 1 33 ARG QD 3.200 . 4.500 2.936 2.051 3.452 . 0 0 "[ . 1 .]" 1
1198 1 33 ARG HB2 1 33 ARG QD 2.600 . 3.500 2.534 2.044 3.487 . 0 0 "[ . 1 .]" 1
1199 1 33 ARG QD 1 33 ARG HG3 2.600 . 3.500 2.259 2.145 2.504 . 0 0 "[ . 1 .]" 1
1200 1 33 ARG H 1 33 ARG QG 4.000 . 7.000 3.363 2.333 4.133 . 0 0 "[ . 1 .]" 1
1201 1 33 ARG QG 1 34 ASP H 4.000 . 7.000 4.220 3.625 4.634 . 0 0 "[ . 1 .]" 1
1202 1 33 ARG QG 1 35 TRP H 4.000 . 7.000 5.416 4.839 5.912 . 0 0 "[ . 1 .]" 1
1203 1 12 PHE QD 1 37 ASP HA 4.000 . 7.000 4.915 3.874 6.088 . 0 0 "[ . 1 .]" 1
1204 1 12 PHE QE 1 37 ASP HA 3.200 . 4.500 3.046 2.238 3.928 . 0 0 "[ . 1 .]" 1
1205 1 25 VAL MG1 1 37 ASP HA 4.000 . 7.000 4.464 3.820 5.221 . 0 0 "[ . 1 .]" 1
1206 1 25 VAL MG2 1 37 ASP HA 4.000 . 7.000 3.988 3.261 5.195 . 0 0 "[ . 1 .]" 1
1207 1 12 PHE QD 1 37 ASP HB3 4.000 . 7.000 5.018 3.620 6.203 . 0 0 "[ . 1 .]" 1
1208 1 12 PHE QE 1 37 ASP HB3 4.000 . 7.000 3.814 1.986 5.307 . 0 0 "[ . 1 .]" 1
1209 1 20 ILE MD 1 37 ASP HB3 4.000 . 7.000 3.680 3.190 4.133 . 0 0 "[ . 1 .]" 1
1210 1 12 PHE QD 1 37 ASP HB2 4.000 . 7.000 4.004 3.239 5.014 . 0 0 "[ . 1 .]" 1
1211 1 12 PHE QE 1 37 ASP HB2 4.000 . 7.000 2.826 1.997 4.425 . 0 0 "[ . 1 .]" 1
1212 1 20 ILE MD 1 37 ASP HB2 3.200 . 4.500 3.275 2.393 4.520 0.020 4 0 "[ . 1 .]" 1
1213 1 26 CYS H 1 38 GLU QG 4.000 . 7.000 3.025 1.978 4.038 . 0 0 "[ . 1 .]" 1
1214 1 27 ASN H 1 38 GLU QG 4.000 . 7.000 2.971 2.428 4.168 . 0 0 "[ . 1 .]" 1
1215 1 31 ASP H 1 38 GLU QG 4.000 . 7.000 3.297 2.680 4.316 . 0 0 "[ . 1 .]" 1
1216 1 32 CYS H 1 38 GLU QG 4.000 . 7.000 4.402 3.429 6.007 . 0 0 "[ . 1 .]" 1
1217 1 35 TRP HD1 1 38 GLU QG 4.000 . 7.000 6.619 5.835 7.023 0.023 5 0 "[ . 1 .]" 1
1218 1 35 TRP HE1 1 38 GLU QG 4.000 . 7.000 6.793 6.087 7.008 0.008 4 0 "[ . 1 .]" 1
1219 1 35 TRP HE3 1 38 GLU QG 3.200 . 4.500 3.766 2.323 4.511 0.011 13 0 "[ . 1 .]" 1
1220 1 35 TRP HZ3 1 38 GLU QG 4.000 . 7.000 4.224 2.292 4.913 . 0 0 "[ . 1 .]" 1
1221 1 38 GLU H 1 38 GLU QG 3.200 . 4.500 3.021 2.226 3.671 . 0 0 "[ . 1 .]" 1
1222 1 38 GLU QG 1 39 PRO HA 4.000 . 7.000 6.149 5.995 6.277 . 0 0 "[ . 1 .]" 1
1223 1 39 PRO HD3 1 64 ILE MD 4.000 . 7.000 2.771 1.942 3.902 . 0 0 "[ . 1 .]" 1
1224 1 39 PRO HD2 1 64 ILE MD 4.000 . 7.000 3.197 2.701 3.885 . 0 0 "[ . 1 .]" 1
1225 1 39 PRO HG3 1 64 ILE MD 4.000 . 7.000 2.915 2.171 3.632 . 0 0 "[ . 1 .]" 1
1226 1 39 PRO HG2 1 64 ILE MD 4.000 . 7.000 3.895 3.184 4.653 . 0 0 "[ . 1 .]" 1
1227 1 40 ILE HA 1 40 ILE MD 3.200 . 4.500 3.739 2.631 3.830 . 0 0 "[ . 1 .]" 1
1228 1 40 ILE HA 1 40 ILE MG 3.200 . 4.500 2.325 2.264 2.377 . 0 0 "[ . 1 .]" 1
1229 1 40 ILE HB 1 40 ILE MD 2.600 . 3.500 2.493 2.356 3.144 . 0 0 "[ . 1 .]" 1
1230 1 40 ILE H 1 40 ILE MD 4.000 . 7.000 3.564 3.538 3.581 . 0 0 "[ . 1 .]" 1
1231 1 40 ILE MD 1 41 LYS H 4.000 . 7.000 4.666 4.560 4.922 . 0 0 "[ . 1 .]" 1
1232 1 40 ILE MD 1 43 CYS H 4.000 . 7.000 6.429 5.876 6.635 . 0 0 "[ . 1 .]" 1
1233 1 40 ILE HG13 1 40 ILE MG 2.600 . 3.500 3.165 2.738 3.203 . 0 0 "[ . 1 .]" 1
1234 1 40 ILE H 1 40 ILE MG 3.200 . 4.500 3.767 3.762 3.770 . 0 0 "[ . 1 .]" 1
1235 1 40 ILE MG 1 41 LYS H 3.200 . 4.500 3.578 3.482 3.765 . 0 0 "[ . 1 .]" 1
1236 1 40 ILE MG 1 42 GLU H 4.000 . 7.000 4.953 4.849 5.114 . 0 0 "[ . 1 .]" 1
1237 1 40 ILE MG 1 43 CYS H 4.000 . 7.000 4.449 4.211 4.788 . 0 0 "[ . 1 .]" 1
1238 1 40 ILE MG 1 41 LYS HA 3.200 . 4.500 3.606 3.474 3.687 . 0 0 "[ . 1 .]" 1
1239 1 41 LYS HA 1 41 LYS QD 4.000 . 7.000 3.804 2.418 4.265 . 0 0 "[ . 1 .]" 1
1240 1 41 LYS QB 1 41 LYS QD 2.600 . 4.000 2.185 2.019 2.498 . 0 0 "[ . 1 .]" 1
1241 1 41 LYS H 1 41 LYS QB 2.600 . 3.500 2.235 2.107 2.580 . 0 0 "[ . 1 .]" 1
1242 1 41 LYS QB 1 42 GLU H 3.200 . 4.500 2.948 2.663 3.587 . 0 0 "[ . 1 .]" 1
1243 1 41 LYS QD 1 41 LYS HG2 2.600 . 3.500 2.322 2.146 2.502 . 0 0 "[ . 1 .]" 1
1244 1 41 LYS H 1 41 LYS QD 4.000 . 7.000 4.123 2.230 4.757 . 0 0 "[ . 1 .]" 1
1245 1 41 LYS QD 1 42 GLU H 4.000 . 7.000 4.750 2.876 5.437 . 0 0 "[ . 1 .]" 1
1246 1 41 LYS QB 1 41 LYS QE 4.000 . 7.500 2.784 1.964 3.634 . 0 0 "[ . 1 .]" 1
1247 1 42 GLU HA 1 45 THR MG 4.000 . 7.000 3.302 2.990 3.607 . 0 0 "[ . 1 .]" 1
1248 1 42 GLU H 1 42 GLU QB 3.200 . 4.500 2.420 2.185 2.657 . 0 0 "[ . 1 .]" 1
1249 1 42 GLU QB 1 43 CYS H 3.200 . 4.500 3.415 3.395 3.454 . 0 0 "[ . 1 .]" 1
1250 1 42 GLU QB 1 45 THR H 4.000 . 7.000 5.218 4.704 5.597 . 0 0 "[ . 1 .]" 1
1251 1 42 GLU QB 1 65 GLY H 4.000 . 7.000 3.684 2.259 5.905 . 0 0 "[ . 1 .]" 1
1252 1 41 LYS H 1 42 GLU QG 4.000 . 7.000 4.844 3.744 5.815 . 0 0 "[ . 1 .]" 1
1253 1 43 CYS HA 1 44 GLY QA 4.000 . 7.000 4.026 3.877 4.341 . 0 0 "[ . 1 .]" 1
1254 1 43 CYS H 1 44 GLY QA 4.000 . 7.000 4.965 4.399 5.348 . 0 0 "[ . 1 .]" 1
1255 1 44 GLY QA 1 45 THR H 2.600 . 3.500 2.859 2.723 2.918 . 0 0 "[ . 1 .]" 1
1256 1 45 THR HA 1 45 THR MG 2.600 . 3.500 2.108 2.017 2.226 . 0 0 "[ . 1 .]" 1
1257 1 42 GLU QB 1 45 THR HB 4.000 . 7.000 5.162 4.743 5.688 . 0 0 "[ . 1 .]" 1
1258 1 45 THR H 1 45 THR MG 3.200 . 4.500 3.622 3.547 3.687 . 0 0 "[ . 1 .]" 1
1259 1 45 THR MG 1 46 ASN H 4.000 . 7.000 3.177 2.395 3.505 . 0 0 "[ . 1 .]" 1
1260 1 45 THR MG 1 47 GLU H 3.200 . 4.500 3.695 2.601 4.033 . 0 0 "[ . 1 .]" 1
1261 1 45 THR MG 1 66 TYR QD 3.200 . 5.000 4.868 4.265 5.021 0.021 4 0 "[ . 1 .]" 1
1262 1 45 THR MG 1 46 ASN HA 4.000 . 7.000 4.832 4.372 5.059 . 0 0 "[ . 1 .]" 1
1263 1 46 ASN HA 1 47 GLU QB 4.000 . 7.000 4.665 4.528 4.763 . 0 0 "[ . 1 .]" 1
1264 1 46 ASN HA 1 49 LEU MD1 4.000 . 7.000 5.176 4.430 5.829 . 0 0 "[ . 1 .]" 1
1265 1 45 THR MG 1 47 GLU HA 3.200 . 4.500 4.211 3.884 4.461 . 0 0 "[ . 1 .]" 1
1266 1 47 GLU HA 1 66 TYR QD 4.000 . 7.000 5.249 4.928 5.345 . 0 0 "[ . 1 .]" 1
1267 1 45 THR MG 1 47 GLU QB 2.600 . 4.000 3.941 3.669 4.024 0.024 5 0 "[ . 1 .]" 1
1268 1 45 THR MG 1 47 GLU HB3 3.200 . 4.500 4.503 4.436 4.543 0.043 9 0 "[ . 1 .]" 1
1269 1 47 GLU HB3 1 66 TYR QD 2.600 . 3.500 3.530 3.511 3.561 0.061 9 0 "[ . 1 .]" 1
1270 1 45 THR MG 1 47 GLU QG 4.000 . 7.500 2.100 1.964 2.250 . 0 0 "[ . 1 .]" 1
1271 1 47 GLU HB3 1 47 GLU QG 2.600 . 3.500 2.168 2.133 2.204 . 0 0 "[ . 1 .]" 1
1272 1 47 GLU HB2 1 47 GLU QG 2.600 . 3.500 2.503 2.475 2.524 . 0 0 "[ . 1 .]" 1
1273 1 47 GLU H 1 47 GLU QG 4.000 . 7.000 2.316 2.063 2.846 . 0 0 "[ . 1 .]" 1
1274 1 47 GLU QG 1 48 CYS H 4.000 . 7.000 4.196 4.047 4.401 . 0 0 "[ . 1 .]" 1
1275 1 47 GLU QG 1 66 TYR QD 2.600 . 4.000 3.649 3.550 4.016 0.016 9 0 "[ . 1 .]" 1
1276 1 49 LEU HA 1 49 LEU MD1 3.200 . 4.500 3.840 3.463 3.913 . 0 0 "[ . 1 .]" 1
1277 1 49 LEU HA 1 49 LEU MD2 2.600 . 3.500 2.172 1.966 3.347 . 0 0 "[ . 1 .]" 1
1278 1 49 LEU HB3 1 49 LEU MD1 2.600 . 3.500 2.424 2.227 3.062 . 0 0 "[ . 1 .]" 1
1279 1 49 LEU HB3 1 49 LEU MD2 3.200 . 4.500 2.315 2.047 2.457 . 0 0 "[ . 1 .]" 1
1280 1 49 LEU HB2 1 49 LEU MD2 2.600 . 3.500 3.159 2.760 3.196 . 0 0 "[ . 1 .]" 1
1281 1 46 ASN HD21 1 49 LEU MD1 4.000 . 7.000 3.247 2.834 4.110 . 0 0 "[ . 1 .]" 1
1282 1 46 ASN HD22 1 49 LEU MD1 4.000 . 7.000 2.091 1.858 2.730 . 0 0 "[ . 1 .]" 1
1283 1 48 CYS H 1 49 LEU MD1 4.000 . 7.000 5.653 4.208 6.032 . 0 0 "[ . 1 .]" 1
1284 1 49 LEU MD1 1 49 LEU MD2 2.600 . 4.000 2.012 1.942 2.074 . 0 0 "[ . 1 .]" 1
1285 1 49 LEU H 1 49 LEU MD1 3.200 . 4.500 3.473 1.965 3.685 . 0 0 "[ . 1 .]" 1
1286 1 49 LEU MD1 1 50 ASP H 4.000 . 7.000 4.942 4.166 5.103 . 0 0 "[ . 1 .]" 1
1287 1 46 ASN HD21 1 49 LEU MD2 4.000 . 7.000 5.121 4.777 6.082 . 0 0 "[ . 1 .]" 1
1288 1 46 ASN HD22 1 49 LEU MD2 4.000 . 7.000 3.939 3.618 4.675 . 0 0 "[ . 1 .]" 1
1289 1 48 CYS H 1 49 LEU MD2 4.000 . 7.000 5.839 5.346 6.582 . 0 0 "[ . 1 .]" 1
1290 1 49 LEU H 1 49 LEU MD2 3.200 . 4.500 3.325 2.860 4.088 . 0 0 "[ . 1 .]" 1
1291 1 49 LEU MD2 1 50 ASP H 4.000 . 7.000 4.707 4.485 5.266 . 0 0 "[ . 1 .]" 1
1292 1 57 HIS HB3 1 58 VAL MG2 4.000 . 7.000 2.722 2.443 2.948 . 0 0 "[ . 1 .]" 1
1293 1 57 HIS HB2 1 58 VAL MG2 4.000 . 7.000 2.679 2.570 2.785 . 0 0 "[ . 1 .]" 1
1294 1 58 VAL HA 1 58 VAL MG1 2.600 . 3.500 2.032 2.001 2.147 . 0 0 "[ . 1 .]" 1
1295 1 58 VAL HA 1 58 VAL MG2 2.600 . 3.500 3.113 2.904 3.139 . 0 0 "[ . 1 .]" 1
1296 1 52 ASN HD21 1 58 VAL QG 4.000 . 7.500 5.996 5.912 6.091 . 0 0 "[ . 1 .]" 1
1297 1 52 ASN HD22 1 58 VAL QG 4.000 . 7.500 6.543 6.488 6.564 . 0 0 "[ . 1 .]" 1
1298 1 57 HIS HD2 1 58 VAL MG1 4.000 . 7.000 6.455 6.337 7.012 0.012 13 0 "[ . 1 .]" 1
1299 1 57 HIS H 1 58 VAL MG1 4.000 . 7.000 5.400 5.336 5.702 . 0 0 "[ . 1 .]" 1
1300 1 58 VAL H 1 58 VAL MG1 4.000 . 7.000 3.602 3.533 3.919 . 0 0 "[ . 1 .]" 1
1301 1 58 VAL MG1 1 59 CYS H 2.600 . 3.500 3.520 3.342 3.538 0.038 3 0 "[ . 1 .]" 1
1302 1 57 HIS HD2 1 58 VAL MG2 4.000 . 7.000 5.590 5.348 5.673 . 0 0 "[ . 1 .]" 1
1303 1 57 HIS H 1 58 VAL MG2 4.000 . 7.000 4.222 4.120 4.316 . 0 0 "[ . 1 .]" 1
1304 1 58 VAL H 1 58 VAL MG2 2.600 . 3.500 2.125 1.949 2.277 . 0 0 "[ . 1 .]" 1
1305 1 58 VAL MG2 1 59 CYS H 3.200 . 4.500 4.367 4.337 4.469 . 0 0 "[ . 1 .]" 1
1306 1 59 CYS HA 1 69 LEU MD1 4.000 . 7.000 4.012 3.617 5.288 . 0 0 "[ . 1 .]" 1
1307 1 60 ASN HA 1 69 LEU MD1 4.000 . 7.000 3.647 2.957 5.743 . 0 0 "[ . 1 .]" 1
1308 1 60 ASN HB2 1 69 LEU MD1 2.600 . 3.500 2.618 1.921 3.557 0.057 13 0 "[ . 1 .]" 1
1309 1 60 ASN HB2 1 69 LEU MD2 3.200 . 4.500 2.665 1.895 4.362 . 0 0 "[ . 1 .]" 1
1310 1 60 ASN HB3 1 69 LEU MD1 3.200 . 4.500 2.922 1.811 4.246 . 0 0 "[ . 1 .]" 1
1311 1 60 ASN HB3 1 69 LEU MD2 4.000 . 7.000 3.064 2.175 3.643 . 0 0 "[ . 1 .]" 1
1312 1 61 ASP HA 1 62 LEU MD1 4.000 . 7.000 5.385 4.894 5.579 . 0 0 "[ . 1 .]" 1
1313 1 61 ASP HA 1 66 TYR QD 3.200 . 4.500 4.159 3.840 4.415 . 0 0 "[ . 1 .]" 1
1314 1 62 LEU HA 1 62 LEU MD1 3.200 . 4.500 3.810 3.751 3.999 . 0 0 "[ . 1 .]" 1
1315 1 62 LEU HA 1 62 LEU MD2 2.600 . 3.500 2.085 1.914 2.540 . 0 0 "[ . 1 .]" 1
1316 1 62 LEU HB3 1 62 LEU MD1 2.600 . 3.500 2.267 2.186 2.460 . 0 0 "[ . 1 .]" 1
1317 1 62 LEU HB2 1 62 LEU MD1 2.600 . 3.500 2.415 2.284 2.492 . 0 0 "[ . 1 .]" 1
1318 1 60 ASN HD21 1 62 LEU MD1 4.000 . 7.000 4.601 3.699 5.375 . 0 0 "[ . 1 .]" 1
1319 1 60 ASN HD22 1 62 LEU MD1 4.000 . 7.000 5.017 3.605 5.876 . 0 0 "[ . 1 .]" 1
1320 1 62 LEU H 1 62 LEU MD1 4.000 . 7.000 3.953 3.557 4.088 . 0 0 "[ . 1 .]" 1
1321 1 62 LEU MD1 1 63 LYS H 4.000 . 7.000 4.279 3.736 4.645 . 0 0 "[ . 1 .]" 1
1322 1 62 LEU MD1 1 66 TYR H 4.000 . 7.000 5.819 4.721 6.259 . 0 0 "[ . 1 .]" 1
1323 1 62 LEU MD1 1 67 GLU H 4.000 . 7.000 4.619 3.795 5.024 . 0 0 "[ . 1 .]" 1
1324 1 60 ASN HD21 1 62 LEU MD2 3.200 . 4.500 3.708 2.714 4.500 0.000 13 0 "[ . 1 .]" 1
1325 1 60 ASN HD22 1 62 LEU MD2 3.200 . 4.500 4.071 3.307 4.508 0.008 5 0 "[ . 1 .]" 1
1326 1 60 ASN H 1 62 LEU MD2 4.000 . 7.000 5.745 4.824 6.522 . 0 0 "[ . 1 .]" 1
1327 1 61 ASP H 1 62 LEU MD2 4.000 . 7.000 4.323 3.594 4.893 . 0 0 "[ . 1 .]" 1
1328 1 62 LEU H 1 62 LEU MD2 4.000 . 7.000 3.277 2.673 3.668 . 0 0 "[ . 1 .]" 1
1329 1 62 LEU MD2 1 63 LYS H 4.000 . 7.000 3.433 2.961 4.001 . 0 0 "[ . 1 .]" 1
1330 1 62 LEU MD2 1 66 TYR H 4.000 . 7.000 6.502 5.828 7.019 0.019 13 0 "[ . 1 .]" 1
1331 1 62 LEU MD2 1 67 GLU H 4.000 . 7.000 4.739 3.849 5.429 . 0 0 "[ . 1 .]" 1
1332 1 63 LYS HA 1 63 LYS QD 4.000 . 7.000 3.486 2.155 4.232 . 0 0 "[ . 1 .]" 1
1333 1 63 LYS HA 1 63 LYS QG 3.200 . 4.500 2.546 2.105 3.409 . 0 0 "[ . 1 .]" 1
1334 1 25 VAL MG1 1 63 LYS HB3 4.000 . 7.000 3.685 3.133 4.239 . 0 0 "[ . 1 .]" 1
1335 1 25 VAL MG1 1 63 LYS HB2 3.200 . 4.500 3.189 1.947 4.016 . 0 0 "[ . 1 .]" 1
1336 1 25 VAL MG1 1 63 LYS QD 4.000 . 7.500 4.140 2.913 5.418 . 0 0 "[ . 1 .]" 1
1337 1 63 LYS H 1 63 LYS QD 4.000 . 7.000 3.086 1.979 4.357 . 0 0 "[ . 1 .]" 1
1338 1 25 VAL MG1 1 63 LYS QE 4.000 . 7.500 4.273 1.957 5.471 . 0 0 "[ . 1 .]" 1
1339 1 25 VAL MG2 1 63 LYS QE 4.000 . 7.500 6.402 3.823 7.510 0.010 1 0 "[ . 1 .]" 1
1340 1 63 LYS HB3 1 63 LYS QE 4.000 . 7.000 3.560 2.733 4.269 . 0 0 "[ . 1 .]" 1
1341 1 63 LYS H 1 63 LYS QE 4.000 . 7.000 3.427 1.960 5.183 . 0 0 "[ . 1 .]" 1
1342 1 63 LYS H 1 63 LYS QG 4.000 . 7.000 2.759 1.957 3.550 . 0 0 "[ . 1 .]" 1
1343 1 25 VAL MG1 1 64 ILE HA 4.000 . 7.000 4.010 3.506 4.345 . 0 0 "[ . 1 .]" 1
1344 1 64 ILE HA 1 64 ILE MD 4.000 . 7.000 3.016 2.752 3.449 . 0 0 "[ . 1 .]" 1
1345 1 64 ILE HA 1 64 ILE MG 2.600 . 3.500 3.196 3.189 3.203 . 0 0 "[ . 1 .]" 1
1346 1 64 ILE HB 1 64 ILE MD 3.200 . 4.500 2.123 1.977 2.226 . 0 0 "[ . 1 .]" 1
1347 1 12 PHE QE 1 64 ILE MD 2.600 . 4.000 2.134 1.823 2.915 . 0 0 "[ . 1 .]" 1
1348 1 12 PHE HZ 1 64 ILE MD 3.200 . 4.500 1.901 1.826 1.947 . 0 0 "[ . 1 .]" 1
1349 1 25 VAL MG2 1 64 ILE MD 2.600 . 4.000 2.495 2.032 2.722 . 0 0 "[ . 1 .]" 1
1350 1 25 VAL H 1 64 ILE MD 4.000 . 7.000 5.943 5.592 6.183 . 0 0 "[ . 1 .]" 1
1351 1 26 CYS H 1 64 ILE MD 4.000 . 7.000 4.198 3.436 4.671 . 0 0 "[ . 1 .]" 1
1352 1 64 ILE H 1 64 ILE MD 3.200 . 4.500 4.533 4.516 4.575 0.075 12 0 "[ . 1 .]" 1
1353 1 64 ILE MD 1 65 GLY H 4.000 . 7.000 5.337 5.205 5.555 . 0 0 "[ . 1 .]" 1
1354 1 25 VAL MG1 1 64 ILE QG 3.200 . 5.000 3.531 3.317 3.771 . 0 0 "[ . 1 .]" 1
1355 1 64 ILE QG 1 64 ILE MG 2.600 . 4.000 1.987 1.896 2.168 . 0 0 "[ . 1 .]" 1
1356 1 64 ILE H 1 64 ILE QG 3.200 . 4.500 4.094 4.055 4.123 . 0 0 "[ . 1 .]" 1
1357 1 64 ILE QG 1 65 GLY H 4.000 . 7.000 4.280 4.261 4.348 . 0 0 "[ . 1 .]" 1
1358 1 12 PHE QE 1 64 ILE MG 4.000 . 7.500 3.116 2.274 3.556 . 0 0 "[ . 1 .]" 1
1359 1 12 PHE HZ 1 64 ILE MG 4.000 . 7.000 4.487 2.934 5.222 . 0 0 "[ . 1 .]" 1
1360 1 25 VAL MG1 1 64 ILE MG 4.000 . 7.500 2.252 1.894 2.589 . 0 0 "[ . 1 .]" 1
1361 1 64 ILE H 1 64 ILE MG 3.200 . 4.500 2.149 2.014 2.277 . 0 0 "[ . 1 .]" 1
1362 1 64 ILE MG 1 65 GLY H 4.000 . 7.000 3.487 3.424 3.602 . 0 0 "[ . 1 .]" 1
1363 1 65 GLY HA3 1 66 TYR QD 4.000 . 7.000 5.301 4.549 5.523 . 0 0 "[ . 1 .]" 1
1364 1 65 GLY HA2 1 66 TYR QD 3.200 . 4.500 4.164 3.142 4.311 . 0 0 "[ . 1 .]" 1
1365 1 62 LEU MD1 1 66 TYR HA 4.000 . 7.000 4.425 3.517 4.893 . 0 0 "[ . 1 .]" 1
1366 1 62 LEU MD2 1 66 TYR HA 4.000 . 7.000 4.437 3.572 5.116 . 0 0 "[ . 1 .]" 1
1367 1 66 TYR HA 1 66 TYR QD 4.000 . 7.000 3.682 3.530 3.730 . 0 0 "[ . 1 .]" 1
1368 1 66 TYR HB2 1 66 TYR QD 2.600 . 3.500 2.569 2.307 2.730 . 0 0 "[ . 1 .]" 1
1369 1 47 GLU QB 1 66 TYR HB3 4.000 . 7.000 3.357 3.036 4.174 . 0 0 "[ . 1 .]" 1
1370 1 66 TYR HB3 1 66 TYR QD 2.600 . 3.500 2.320 2.281 2.538 . 0 0 "[ . 1 .]" 1
1371 1 62 LEU H 1 66 TYR QD 4.000 . 7.000 4.917 4.556 5.197 . 0 0 "[ . 1 .]" 1
1372 1 66 TYR H 1 66 TYR QD 3.200 . 4.500 2.742 1.923 2.972 . 0 0 "[ . 1 .]" 1
1373 1 66 TYR QD 1 67 GLU H 3.200 . 4.500 3.648 3.376 4.305 . 0 0 "[ . 1 .]" 1
1374 1 66 TYR QD 1 68 CYS H 4.000 . 7.000 4.891 4.472 6.193 . 0 0 "[ . 1 .]" 1
1375 1 62 LEU MD1 1 67 GLU HA 4.000 . 7.000 5.942 5.320 6.377 . 0 0 "[ . 1 .]" 1
1376 1 62 LEU MD1 1 67 GLU HB2 4.000 . 7.000 5.100 4.791 5.485 . 0 0 "[ . 1 .]" 1
1377 1 62 LEU MD1 1 67 GLU HG3 4.000 . 7.000 3.185 2.912 3.548 . 0 0 "[ . 1 .]" 1
1378 1 67 GLU HG3 1 69 LEU MD1 4.000 . 7.000 5.383 5.059 5.817 . 0 0 "[ . 1 .]" 1
1379 1 67 GLU HG3 1 69 LEU MD2 4.000 . 7.000 3.688 3.433 3.942 . 0 0 "[ . 1 .]" 1
1380 1 67 GLU HG2 1 69 LEU MD1 4.000 . 7.000 5.064 4.574 5.539 . 0 0 "[ . 1 .]" 1
1381 1 67 GLU HG2 1 69 LEU MD2 2.600 . 3.500 3.530 3.505 3.543 0.043 11 0 "[ . 1 .]" 1
1382 1 66 TYR QD 1 68 CYS HA 4.000 . 7.000 5.175 4.545 6.848 . 0 0 "[ . 1 .]" 1
1383 1 68 CYS HA 1 69 LEU MD2 4.000 . 7.000 3.511 2.887 3.969 . 0 0 "[ . 1 .]" 1
1384 1 68 CYS HA 1 76 LEU MD1 4.000 . 7.000 3.976 3.725 4.277 . 0 0 "[ . 1 .]" 1
1385 1 68 CYS HB3 1 76 LEU MD1 3.200 . 4.500 2.166 1.945 2.579 . 0 0 "[ . 1 .]" 1
1386 1 68 CYS HB3 1 76 LEU MD2 4.000 . 7.000 3.189 2.878 4.335 . 0 0 "[ . 1 .]" 1
1387 1 68 CYS HB2 1 76 LEU MD1 4.000 . 7.000 2.090 1.793 2.361 0.007 15 0 "[ . 1 .]" 1
1388 1 68 CYS HB2 1 76 LEU MD2 4.000 . 7.000 2.108 1.872 3.199 . 0 0 "[ . 1 .]" 1
1389 1 69 LEU HA 1 69 LEU MD1 3.200 . 4.500 3.641 2.226 3.905 . 0 0 "[ . 1 .]" 1
1390 1 69 LEU HA 1 69 LEU MD2 2.600 . 3.500 2.071 1.936 2.565 . 0 0 "[ . 1 .]" 1
1391 1 69 LEU HA 1 76 LEU MD1 4.000 . 7.000 4.336 4.153 4.547 . 0 0 "[ . 1 .]" 1
1392 1 69 LEU HA 1 76 LEU MD2 4.000 . 7.000 5.100 4.840 5.884 . 0 0 "[ . 1 .]" 1
1393 1 69 LEU HB3 1 69 LEU MD1 2.600 . 3.500 2.197 2.133 2.237 . 0 0 "[ . 1 .]" 1
1394 1 69 LEU HB3 1 69 LEU MD2 2.600 . 3.500 2.589 2.429 3.193 . 0 0 "[ . 1 .]" 1
1395 1 69 LEU HB3 1 76 LEU MD1 4.000 . 7.000 6.083 5.912 6.238 . 0 0 "[ . 1 .]" 1
1396 1 69 LEU HB2 1 69 LEU MD1 2.600 . 3.500 2.531 2.377 3.179 . 0 0 "[ . 1 .]" 1
1397 1 69 LEU HB2 1 69 LEU MD2 2.600 . 3.500 3.085 2.396 3.193 . 0 0 "[ . 1 .]" 1
1398 1 68 CYS H 1 69 LEU MD1 4.000 . 7.000 6.017 5.265 6.280 . 0 0 "[ . 1 .]" 1
1399 1 69 LEU H 1 69 LEU MD1 4.000 . 7.000 4.067 3.966 4.248 . 0 0 "[ . 1 .]" 1
1400 1 69 LEU MD1 1 70 CYS H 3.200 . 4.500 4.218 3.056 4.573 0.073 5 0 "[ . 1 .]" 1
1401 1 68 CYS H 1 69 LEU MD2 4.000 . 7.000 3.786 3.423 4.045 . 0 0 "[ . 1 .]" 1
1402 1 69 LEU H 1 69 LEU MD2 4.000 . 7.000 3.101 2.501 3.419 . 0 0 "[ . 1 .]" 1
1403 1 69 LEU MD2 1 70 CYS H 3.200 . 4.500 3.911 3.695 4.379 . 0 0 "[ . 1 .]" 1
1404 1 69 LEU MD2 1 76 LEU MD1 4.000 . 7.500 4.994 4.651 5.286 . 0 0 "[ . 1 .]" 1
1405 1 71 PRO HB3 1 74 PHE QD 4.000 . 7.000 4.152 3.549 5.160 . 0 0 "[ . 1 .]" 1
1406 1 71 PRO HB3 1 74 PHE QE 4.000 . 7.000 4.267 3.329 5.303 . 0 0 "[ . 1 .]" 1
1407 1 71 PRO HB2 1 74 PHE QD 4.000 . 7.000 2.559 1.893 3.679 . 0 0 "[ . 1 .]" 1
1408 1 71 PRO HB2 1 74 PHE QE 4.000 . 7.000 3.020 2.034 4.017 . 0 0 "[ . 1 .]" 1
1409 1 71 PRO HG3 1 74 PHE QD 3.200 . 4.500 4.251 3.959 4.514 0.014 12 0 "[ . 1 .]" 1
1410 1 71 PRO HG3 1 74 PHE QE 4.000 . 7.000 4.313 3.641 5.326 . 0 0 "[ . 1 .]" 1
1411 1 71 PRO HG2 1 74 PHE QD 3.200 . 4.500 2.984 2.597 3.644 . 0 0 "[ . 1 .]" 1
1412 1 71 PRO HG2 1 74 PHE QE 4.000 . 7.000 3.240 2.517 3.850 . 0 0 "[ . 1 .]" 1
1413 1 72 ASP H 1 72 ASP QB 2.600 . 3.500 2.280 2.089 2.611 . 0 0 "[ . 1 .]" 1
1414 1 72 ASP QB 1 73 GLY H 3.200 . 4.500 2.947 2.456 3.508 . 0 0 "[ . 1 .]" 1
1415 1 72 ASP QB 1 74 PHE H 4.000 . 7.000 4.606 4.373 5.038 . 0 0 "[ . 1 .]" 1
1416 1 74 PHE HA 1 74 PHE QD 4.000 . 7.000 2.571 1.921 2.896 . 0 0 "[ . 1 .]" 1
1417 1 74 PHE HA 1 74 PHE QE 4.000 . 7.000 4.420 4.200 4.542 . 0 0 "[ . 1 .]" 1
1418 1 74 PHE HB2 1 74 PHE QD 3.200 . 4.500 2.471 2.276 2.762 . 0 0 "[ . 1 .]" 1
1419 1 70 CYS H 1 74 PHE QD 4.000 . 7.000 6.664 5.903 7.023 0.023 1 0 "[ . 1 .]" 1
1420 1 72 ASP H 1 74 PHE QD 4.000 . 7.000 4.477 3.659 5.170 . 0 0 "[ . 1 .]" 1
1421 1 73 GLY H 1 74 PHE QD 4.000 . 7.000 4.866 4.342 6.088 . 0 0 "[ . 1 .]" 1
1422 1 74 PHE H 1 74 PHE QD 4.000 . 7.000 3.141 2.625 3.839 . 0 0 "[ . 1 .]" 1
1423 1 74 PHE QD 1 75 GLN H 4.000 . 7.000 3.631 2.666 4.312 . 0 0 "[ . 1 .]" 1
1424 1 74 PHE QD 1 83 GLU H 4.000 . 7.000 4.412 2.592 5.635 . 0 0 "[ . 1 .]" 1
1425 1 74 PHE H 1 74 PHE QE 4.000 . 7.000 5.143 4.833 5.509 . 0 0 "[ . 1 .]" 1
1426 1 75 GLN HB3 1 75 GLN QG 2.600 . 3.500 2.290 2.130 2.505 . 0 0 "[ . 1 .]" 1
1427 1 75 GLN HB2 1 75 GLN QG 2.600 . 3.500 2.340 2.129 2.504 . 0 0 "[ . 1 .]" 1
1428 1 75 GLN H 1 75 GLN QG 3.200 . 4.500 3.590 2.611 4.187 . 0 0 "[ . 1 .]" 1
1429 1 75 GLN QG 1 76 LEU H 4.000 . 7.000 3.568 1.904 4.629 . 0 0 "[ . 1 .]" 1
1430 1 76 LEU HA 1 76 LEU MD1 2.600 . 3.500 2.796 2.471 3.507 0.007 15 0 "[ . 1 .]" 1
1431 1 76 LEU HA 1 76 LEU MD2 4.000 . 7.000 3.905 3.774 3.977 . 0 0 "[ . 1 .]" 1
1432 1 76 LEU HA 1 77 VAL QG 4.000 . 7.500 3.510 3.351 3.733 . 0 0 "[ . 1 .]" 1
1433 1 76 LEU HB3 1 76 LEU MD1 3.200 . 4.500 3.031 2.713 3.120 . 0 0 "[ . 1 .]" 1
1434 1 76 LEU HB3 1 76 LEU MD2 2.600 . 3.500 2.100 1.958 2.175 . 0 0 "[ . 1 .]" 1
1435 1 76 LEU HB2 1 76 LEU MD2 2.600 . 3.500 2.771 2.659 3.056 . 0 0 "[ . 1 .]" 1
1436 1 56 SER H 1 76 LEU MD1 4.000 . 7.000 4.521 4.203 4.951 . 0 0 "[ . 1 .]" 1
1437 1 68 CYS H 1 76 LEU MD1 4.000 . 7.000 4.456 3.986 4.794 . 0 0 "[ . 1 .]" 1
1438 1 69 LEU H 1 76 LEU MD1 4.000 . 7.000 3.929 3.756 4.216 . 0 0 "[ . 1 .]" 1
1439 1 70 CYS H 1 76 LEU MD1 4.000 . 7.000 5.114 4.843 5.413 . 0 0 "[ . 1 .]" 1
1440 1 76 LEU H 1 76 LEU MD1 4.000 . 7.000 4.309 4.119 4.486 . 0 0 "[ . 1 .]" 1
1441 1 76 LEU MD1 1 77 VAL H 4.000 . 7.000 3.816 3.694 4.205 . 0 0 "[ . 1 .]" 1
1442 1 76 LEU MD1 1 78 ALA H 4.000 . 7.000 6.137 5.831 6.352 . 0 0 "[ . 1 .]" 1
1443 1 76 LEU MD1 1 79 GLN H 4.000 . 7.000 4.952 4.300 5.708 . 0 0 "[ . 1 .]" 1
1444 1 76 LEU MD1 1 80 ARG H 4.000 . 7.000 3.346 3.056 3.528 . 0 0 "[ . 1 .]" 1
1445 1 76 LEU MD1 1 81 ARG H 4.000 . 7.000 3.330 2.433 3.630 . 0 0 "[ . 1 .]" 1
1446 1 76 LEU MD1 1 82 CYS H 4.000 . 7.000 3.705 2.942 4.629 . 0 0 "[ . 1 .]" 1
1447 1 76 LEU MD1 1 83 GLU H 4.000 . 7.000 4.588 3.885 5.301 . 0 0 "[ . 1 .]" 1
1448 1 68 CYS H 1 76 LEU MD2 4.000 . 7.000 3.757 3.446 4.749 . 0 0 "[ . 1 .]" 1
1449 1 76 LEU MD1 1 76 LEU MD2 2.600 . 4.000 2.019 1.950 2.089 . 0 0 "[ . 1 .]" 1
1450 1 76 LEU H 1 76 LEU MD2 3.200 . 4.500 4.106 3.607 4.237 . 0 0 "[ . 1 .]" 1
1451 1 76 LEU MD2 1 77 VAL H 4.000 . 7.000 4.532 3.981 4.798 . 0 0 "[ . 1 .]" 1
1452 1 76 LEU MD2 1 78 ALA H 4.000 . 7.000 4.969 4.079 5.452 . 0 0 "[ . 1 .]" 1
1453 1 76 LEU MD2 1 79 GLN H 4.000 . 7.000 3.263 2.236 4.682 . 0 0 "[ . 1 .]" 1
1454 1 76 LEU MD2 1 80 ARG H 4.000 . 7.000 2.974 2.587 3.553 . 0 0 "[ . 1 .]" 1
1455 1 76 LEU MD2 1 81 ARG H 4.000 . 7.000 3.959 3.582 4.424 . 0 0 "[ . 1 .]" 1
1456 1 76 LEU MD2 1 82 CYS H 4.000 . 7.000 6.083 5.468 6.339 . 0 0 "[ . 1 .]" 1
1457 1 76 LEU MD2 1 83 GLU H 4.000 . 7.000 5.997 5.475 6.527 . 0 0 "[ . 1 .]" 1
1458 1 77 VAL HA 1 77 VAL QG 2.600 . 4.000 2.195 2.058 2.382 . 0 0 "[ . 1 .]" 1
1459 1 76 LEU MD1 1 77 VAL HB 4.000 . 7.000 5.982 5.412 6.764 . 0 0 "[ . 1 .]" 1
1460 1 75 GLN HE21 1 77 VAL QG 4.000 . 7.500 5.597 4.118 7.051 . 0 0 "[ . 1 .]" 1
1461 1 75 GLN H 1 77 VAL QG 4.000 . 7.500 4.809 4.279 5.895 . 0 0 "[ . 1 .]" 1
1462 1 76 LEU MD1 1 77 VAL QG 4.000 . 8.000 4.674 4.294 5.103 . 0 0 "[ . 1 .]" 1
1463 1 76 LEU H 1 77 VAL QG 4.000 . 7.500 4.590 4.194 5.224 . 0 0 "[ . 1 .]" 1
1464 1 77 VAL H 1 77 VAL QG 3.200 . 5.000 2.063 1.871 2.375 . 0 0 "[ . 1 .]" 1
1465 1 77 VAL QG 1 78 ALA H 2.600 . 4.000 2.480 1.967 3.372 . 0 0 "[ . 1 .]" 1
1466 1 77 VAL QG 1 79 GLN H 4.000 . 7.500 4.333 3.942 5.675 . 0 0 "[ . 1 .]" 1
1467 1 77 VAL QG 1 80 ARG H 4.000 . 7.500 4.693 4.307 5.237 . 0 0 "[ . 1 .]" 1
1468 1 77 VAL QG 1 81 ARG H 4.000 . 7.500 4.095 3.503 4.668 . 0 0 "[ . 1 .]" 1
1469 1 77 VAL QG 1 82 CYS H 4.000 . 7.500 4.396 3.381 5.523 . 0 0 "[ . 1 .]" 1
1470 1 78 ALA HA 1 79 GLN QG 4.000 . 7.000 3.925 3.074 4.818 . 0 0 "[ . 1 .]" 1
1471 1 77 VAL H 1 78 ALA MB 4.000 . 7.000 4.680 4.598 4.941 . 0 0 "[ . 1 .]" 1
1472 1 78 ALA H 1 78 ALA MB 3.200 . 4.500 2.942 2.872 2.976 . 0 0 "[ . 1 .]" 1
1473 1 78 ALA MB 1 79 GLN H 4.000 . 7.000 3.346 2.051 3.540 . 0 0 "[ . 1 .]" 1
1474 1 78 ALA MB 1 80 ARG H 4.000 . 7.000 2.927 2.741 3.052 . 0 0 "[ . 1 .]" 1
1475 1 78 ALA MB 1 81 ARG H 4.000 . 7.000 2.668 2.342 3.795 . 0 0 "[ . 1 .]" 1
1476 1 76 LEU MD1 1 79 GLN HA 4.000 . 7.000 4.350 3.438 4.601 . 0 0 "[ . 1 .]" 1
1477 1 76 LEU MD2 1 79 GLN HA 3.200 . 4.500 2.099 1.796 2.510 0.004 15 0 "[ . 1 .]" 1
1478 1 78 ALA MB 1 79 GLN HA 4.000 . 7.000 4.821 4.100 4.937 . 0 0 "[ . 1 .]" 1
1479 1 79 GLN HA 1 79 GLN QG 2.600 . 3.500 2.441 2.116 2.954 . 0 0 "[ . 1 .]" 1
1480 1 78 ALA H 1 79 GLN QG 4.000 . 7.000 4.585 3.937 6.223 . 0 0 "[ . 1 .]" 1
1481 1 79 GLN H 1 79 GLN QG 3.200 . 4.500 2.945 2.594 3.564 . 0 0 "[ . 1 .]" 1
1482 1 79 GLN QG 1 80 ARG H 4.000 . 7.000 4.529 4.256 4.826 . 0 0 "[ . 1 .]" 1
1483 1 79 GLN QG 1 81 ARG H 4.000 . 7.000 5.954 5.615 6.299 . 0 0 "[ . 1 .]" 1
1484 1 76 LEU MD1 1 80 ARG HA 4.000 . 7.000 2.271 1.962 3.307 . 0 0 "[ . 1 .]" 1
1485 1 77 VAL QG 1 81 ARG HA 4.000 . 7.500 4.659 3.889 5.326 . 0 0 "[ . 1 .]" 1
1486 1 81 ARG HA 1 81 ARG QD 4.000 . 7.000 2.752 2.269 2.958 . 0 0 "[ . 1 .]" 1
1487 1 56 SER H 1 81 ARG QB 4.000 . 7.000 7.038 6.960 7.104 0.104 5 0 "[ . 1 .]" 1
1488 1 77 VAL H 1 81 ARG QB 4.000 . 7.000 2.875 2.023 3.279 . 0 0 "[ . 1 .]" 1
1489 1 80 ARG H 1 81 ARG QB 4.000 . 7.000 3.684 3.350 3.770 . 0 0 "[ . 1 .]" 1
1490 1 81 ARG H 1 81 ARG QB 3.200 . 4.500 2.234 2.114 2.662 . 0 0 "[ . 1 .]" 1
1491 1 81 ARG QB 1 82 CYS H 4.000 . 7.000 3.135 2.164 3.839 . 0 0 "[ . 1 .]" 1
1492 1 56 SER H 1 81 ARG QD 4.000 . 7.000 6.584 5.994 7.002 0.002 6 0 "[ . 1 .]" 1
1493 1 81 ARG QB 1 81 ARG QD 2.600 . 4.000 2.193 1.961 2.613 . 0 0 "[ . 1 .]" 1
1494 1 81 ARG H 1 81 ARG QD 4.000 . 7.000 3.901 2.271 4.781 . 0 0 "[ . 1 .]" 1
1495 1 81 ARG QD 1 82 CYS H 4.000 . 7.000 3.614 1.930 4.632 . 0 0 "[ . 1 .]" 1
1496 1 56 SER H 1 81 ARG QG 4.000 . 7.000 6.689 6.032 7.012 0.012 6 0 "[ . 1 .]" 1
1497 1 80 ARG H 1 81 ARG QG 4.000 . 7.000 5.395 4.811 5.606 . 0 0 "[ . 1 .]" 1
1498 1 81 ARG H 1 81 ARG QG 4.000 . 7.000 3.890 3.464 4.227 . 0 0 "[ . 1 .]" 1
1499 1 81 ARG QG 1 82 CYS H 4.000 . 7.000 2.774 1.958 3.458 . 0 0 "[ . 1 .]" 1
1500 1 76 LEU MD1 1 82 CYS HA 4.000 . 7.000 2.938 2.082 3.892 . 0 0 "[ . 1 .]" 1
1501 1 77 VAL QG 1 82 CYS HA 4.000 . 7.500 3.981 3.265 4.714 . 0 0 "[ . 1 .]" 1
1502 1 74 PHE QE 1 82 CYS HB3 4.000 . 7.000 5.114 3.245 5.764 . 0 0 "[ . 1 .]" 1
1503 1 74 PHE QE 1 82 CYS HB2 4.000 . 7.000 6.277 4.040 7.015 0.015 14 0 "[ . 1 .]" 1
1504 1 74 PHE QD 1 83 GLU HA 3.200 . 4.500 3.802 2.157 4.518 0.018 10 0 "[ . 1 .]" 1
1505 1 74 PHE QE 1 83 GLU HA 4.000 . 7.000 4.998 2.964 5.770 . 0 0 "[ . 1 .]" 1
1506 1 77 VAL QG 1 83 GLU HB3 3.200 . 5.000 2.785 1.826 5.047 0.047 9 0 "[ . 1 .]" 1
1507 1 83 GLU HB3 1 83 GLU QG 2.600 . 3.500 2.291 2.130 2.503 . 0 0 "[ . 1 .]" 1
1508 1 77 VAL QG 1 83 GLU HB2 2.600 . 4.000 2.677 1.795 3.873 0.005 14 0 "[ . 1 .]" 1
1509 1 83 GLU HB2 1 83 GLU QG 2.600 . 3.500 2.332 2.149 2.523 . 0 0 "[ . 1 .]" 1
1510 1 83 GLU H 1 83 GLU QG 3.200 . 4.500 4.070 2.453 4.404 . 0 0 "[ . 1 .]" 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 18
_Distance_constraint_stats_list.Viol_count 43
_Distance_constraint_stats_list.Viol_total 28.015
_Distance_constraint_stats_list.Viol_max 0.086
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0434
_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 6 CYS 0.001 0.001 13 0 "[ . 1 .]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 19 CYS 0.001 0.001 13 0 "[ . 1 .]"
1 26 CYS 0.032 0.024 14 0 "[ . 1 .]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 43 CYS 0.032 0.024 14 0 "[ . 1 .]"
1 48 CYS 1.805 0.086 10 0 "[ . 1 .]"
1 55 CYS 0.008 0.005 13 0 "[ . 1 .]"
1 59 CYS 1.805 0.086 10 0 "[ . 1 .]"
1 68 CYS 0.008 0.005 13 0 "[ . 1 .]"
1 70 CYS 0.022 0.009 15 0 "[ . 1 .]"
1 82 CYS 0.022 0.009 15 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS SG 1 19 CYS SG 2.020 . 2.070 2.030 2.028 2.031 . 0 0 "[ . 1 .]" 2
2 1 6 CYS SG 1 19 CYS CB 2.990 2.940 3.040 3.034 3.028 3.038 . 0 0 "[ . 1 .]" 2
3 1 6 CYS CB 1 19 CYS SG 2.990 2.940 3.040 3.035 3.031 3.041 0.001 13 0 "[ . 1 .]" 2
4 1 14 CYS SG 1 32 CYS SG 2.020 . 2.070 2.030 2.029 2.031 . 0 0 "[ . 1 .]" 2
5 1 14 CYS SG 1 32 CYS CB 2.990 2.940 3.040 3.035 3.031 3.039 . 0 0 "[ . 1 .]" 2
6 1 14 CYS CB 1 32 CYS SG 2.990 2.940 3.040 3.035 3.029 3.037 . 0 0 "[ . 1 .]" 2
7 1 26 CYS SG 1 43 CYS SG 2.020 . 2.070 2.030 2.028 2.031 . 0 0 "[ . 1 .]" 2
8 1 26 CYS SG 1 43 CYS CB 2.990 2.940 3.040 3.035 3.026 3.064 0.024 14 0 "[ . 1 .]" 2
9 1 26 CYS CB 1 43 CYS SG 2.990 2.940 3.040 3.038 3.034 3.045 0.005 8 0 "[ . 1 .]" 2
10 1 48 CYS SG 1 59 CYS SG 2.020 . 2.070 2.035 2.034 2.037 . 0 0 "[ . 1 .]" 2
11 1 48 CYS SG 1 59 CYS CB 2.990 2.940 3.040 3.120 3.113 3.126 0.086 10 0 "[ . 1 .]" 2
12 1 48 CYS CB 1 59 CYS SG 2.990 2.940 3.040 3.080 3.071 3.088 0.048 10 0 "[ . 1 .]" 2
13 1 55 CYS SG 1 68 CYS SG 2.020 . 2.070 2.029 2.028 2.031 . 0 0 "[ . 1 .]" 2
14 1 55 CYS SG 1 68 CYS CB 2.990 2.940 3.040 3.037 3.032 3.045 0.005 13 0 "[ . 1 .]" 2
15 1 55 CYS CB 1 68 CYS SG 2.990 2.940 3.040 3.034 3.029 3.043 0.003 5 0 "[ . 1 .]" 2
16 1 70 CYS SG 1 82 CYS SG 2.020 . 2.070 2.030 2.027 2.032 . 0 0 "[ . 1 .]" 2
17 1 70 CYS SG 1 82 CYS CB 2.990 2.940 3.040 3.033 3.019 3.049 0.009 15 0 "[ . 1 .]" 2
18 1 70 CYS CB 1 82 CYS SG 2.990 2.940 3.040 3.036 3.033 3.046 0.006 5 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 13.227
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0304
_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 PHE 0.035 0.024 2 0 "[ . 1 .]"
1 14 CYS 0.298 0.134 10 0 "[ . 1 .]"
1 18 GLU 0.298 0.134 10 0 "[ . 1 .]"
1 20 ILE 0.035 0.024 2 0 "[ . 1 .]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 60 ASN 0.004 0.004 9 0 "[ . 1 .]"
1 62 LEU 0.544 0.057 1 0 "[ . 1 .]"
1 65 GLY 0.544 0.057 1 0 "[ . 1 .]"
1 67 GLU 0.004 0.004 9 0 "[ . 1 .]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 PHE H 1 20 ILE O 1.800 . 2.300 2.036 1.761 2.324 0.024 2 0 "[ . 1 .]" 3
2 1 12 PHE N 1 20 ILE O 2.800 2.400 3.300 2.626 2.554 2.808 . 0 0 "[ . 1 .]" 3
3 1 14 CYS H 1 18 GLU O 1.800 . 2.300 2.206 1.799 2.434 0.134 10 0 "[ . 1 .]" 3
4 1 14 CYS N 1 18 GLU O 2.800 2.400 3.300 3.091 2.759 3.305 0.005 10 0 "[ . 1 .]" 3
5 1 12 PHE O 1 20 ILE H 1.800 . 2.300 1.754 1.613 1.967 . 0 0 "[ . 1 .]" 3
6 1 12 PHE O 1 20 ILE N 2.800 2.400 3.300 2.678 2.468 2.881 . 0 0 "[ . 1 .]" 3
7 1 60 ASN H 1 67 GLU O 1.800 . 2.300 2.021 1.836 2.304 0.004 9 0 "[ . 1 .]" 3
8 1 60 ASN N 1 67 GLU O 2.800 2.400 3.300 2.707 2.543 2.987 . 0 0 "[ . 1 .]" 3
9 1 62 LEU H 1 65 GLY O 1.800 . 2.300 2.336 2.319 2.357 0.057 1 0 "[ . 1 .]" 3
10 1 62 LEU N 1 65 GLY O 2.800 2.400 3.300 3.087 3.050 3.114 . 0 0 "[ . 1 .]" 3
11 1 60 ASN O 1 67 GLU H 1.800 . 2.300 1.782 1.619 2.047 . 0 0 "[ . 1 .]" 3
12 1 60 ASN O 1 67 GLU N 2.800 2.400 3.300 2.747 2.596 2.971 . 0 0 "[ . 1 .]" 3
13 1 58 VAL O 1 69 LEU H 1.800 . 2.300 1.838 1.751 2.111 . 0 0 "[ . 1 .]" 3
14 1 58 VAL O 1 69 LEU N 2.800 2.400 3.300 2.598 2.511 2.878 . 0 0 "[ . 1 .]" 3
stop_
save_
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