NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372034 |
1d1h   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d1h
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 482
_Distance_constraint_stats_list.Viol_count 854
_Distance_constraint_stats_list.Viol_total 1422.986
_Distance_constraint_stats_list.Viol_max 0.334
_Distance_constraint_stats_list.Viol_rms 0.0309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0793
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.029 0.015 12 0 "[ . 1 . 2 ]"
1 2 CYS 8.033 0.293 21 0 "[ . 1 . 2 ]"
1 3 ARG 2.757 0.106 4 0 "[ . 1 . 2 ]"
1 4 TYR 12.381 0.334 3 0 "[ . 1 . 2 ]"
1 5 LEU 5.065 0.176 6 0 "[ . 1 . 2 ]"
1 6 PHE 0.633 0.053 10 0 "[ . 1 . 2 ]"
1 7 GLY 0.496 0.054 17 0 "[ . 1 . 2 ]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 CYS 0.584 0.043 17 0 "[ . 1 . 2 ]"
1 10 LYS 1.995 0.121 21 0 "[ . 1 . 2 ]"
1 11 THR 4.721 0.179 15 0 "[ . 1 . 2 ]"
1 12 THR 2.160 0.179 15 0 "[ . 1 . 2 ]"
1 13 SER 3.529 0.178 5 0 "[ . 1 . 2 ]"
1 14 ASP 0.520 0.043 17 0 "[ . 1 . 2 ]"
1 15 CYS 9.429 0.293 21 0 "[ . 1 . 2 ]"
1 16 CYS 8.268 0.328 18 0 "[ . 1 . 2 ]"
1 17 LYS 16.937 0.334 3 0 "[ . 1 . 2 ]"
1 18 HIS 8.692 0.209 12 0 "[ . 1 . 2 ]"
1 19 LEU 10.272 0.139 8 0 "[ . 1 . 2 ]"
1 20 GLY 1.162 0.066 21 0 "[ . 1 . 2 ]"
1 21 CYS 3.197 0.156 9 0 "[ . 1 . 2 ]"
1 22 LYS 0.301 0.094 16 0 "[ . 1 . 2 ]"
1 23 PHE 1.816 0.186 13 0 "[ . 1 . 2 ]"
1 24 ARG 0.104 0.083 15 0 "[ . 1 . 2 ]"
1 25 ASP 0.014 0.014 9 0 "[ . 1 . 2 ]"
1 26 LYS 0.210 0.034 17 0 "[ . 1 . 2 ]"
1 27 TYR 2.687 0.102 1 0 "[ . 1 . 2 ]"
1 28 CYS 2.377 0.102 1 0 "[ . 1 . 2 ]"
1 29 ALA 1.151 0.066 21 0 "[ . 1 . 2 ]"
1 30 TRP 1.193 0.307 19 0 "[ . 1 . 2 ]"
1 31 ASP 3.998 0.307 19 0 "[ . 1 . 2 ]"
1 32 PHE 2.371 0.216 19 0 "[ . 1 . 2 ]"
1 33 THR 0.795 0.198 11 0 "[ . 1 . 2 ]"
1 34 PHE 0.720 0.198 11 0 "[ . 1 . 2 ]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 CYS H 2.000 . 2.700 2.428 2.146 2.715 0.015 12 0 "[ . 1 . 2 ]" 1
2 1 1 GLU QB 1 2 CYS H 4.000 . 6.000 3.082 1.904 4.021 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 GLU QG 1 2 CYS H 4.000 . 6.000 3.700 2.249 4.861 . 0 0 "[ . 1 . 2 ]" 1
4 1 2 CYS H 1 2 CYS HA 2.000 . 2.700 2.582 2.274 2.772 0.072 11 0 "[ . 1 . 2 ]" 1
5 1 2 CYS H 1 2 CYS QB 3.000 . 4.300 2.803 2.035 3.118 . 0 0 "[ . 1 . 2 ]" 1
6 1 2 CYS HA 1 2 CYS QB 2.000 . 3.700 2.156 2.140 2.167 . 0 0 "[ . 1 . 2 ]" 1
7 1 2 CYS HA 1 3 ARG H 2.000 . 2.700 2.086 2.043 2.114 . 0 0 "[ . 1 . 2 ]" 1
8 1 2 CYS HA 1 3 ARG QB 4.000 . 6.000 4.027 3.842 4.121 . 0 0 "[ . 1 . 2 ]" 1
9 1 2 CYS HA 1 3 ARG QG 5.000 . 7.000 5.144 4.746 5.498 . 0 0 "[ . 1 . 2 ]" 1
10 1 2 CYS HA 1 15 CYS HA 2.000 . 2.700 2.956 2.884 2.993 0.293 21 0 "[ . 1 . 2 ]" 1
11 1 2 CYS HA 1 16 CYS H 4.000 . 5.000 3.364 3.096 4.000 . 0 0 "[ . 1 . 2 ]" 1
12 1 2 CYS QB 1 3 ARG H 3.000 . 4.300 3.742 3.274 3.853 . 0 0 "[ . 1 . 2 ]" 1
13 1 2 CYS QB 1 15 CYS HA 4.000 . 6.000 4.373 3.788 4.581 . 0 0 "[ . 1 . 2 ]" 1
14 1 2 CYS QB 1 16 CYS H 3.000 . 4.300 3.620 3.320 3.715 . 0 0 "[ . 1 . 2 ]" 1
15 1 2 CYS QB 1 16 CYS HA 2.000 . 3.700 1.698 1.617 1.743 0.183 8 0 "[ . 1 . 2 ]" 1
16 1 2 CYS QB 1 16 CYS HB2 5.000 . 7.000 4.157 4.026 4.198 . 0 0 "[ . 1 . 2 ]" 1
17 1 2 CYS QB 1 16 CYS HB3 4.000 . 6.000 3.324 3.211 3.447 . 0 0 "[ . 1 . 2 ]" 1
18 1 2 CYS QB 1 17 LYS H 4.000 . 6.000 4.290 4.213 4.380 . 0 0 "[ . 1 . 2 ]" 1
19 1 2 CYS SG 1 16 CYS SG 2.020 . 2.120 2.036 2.033 2.038 . 0 0 "[ . 1 . 2 ]" 1
20 1 3 ARG H 1 3 ARG QB 3.000 . 4.300 2.116 2.049 2.407 . 0 0 "[ . 1 . 2 ]" 1
21 1 3 ARG H 1 3 ARG QD 2.000 . 3.700 3.208 3.077 3.531 . 0 0 "[ . 1 . 2 ]" 1
22 1 3 ARG H 1 3 ARG QG 4.000 . 6.000 3.482 3.028 4.114 . 0 0 "[ . 1 . 2 ]" 1
23 1 3 ARG H 1 4 TYR H 5.000 . 6.000 4.146 3.973 4.265 . 0 0 "[ . 1 . 2 ]" 1
24 1 3 ARG H 1 15 CYS HA 2.000 . 2.700 1.759 1.709 1.784 0.091 21 0 "[ . 1 . 2 ]" 1
25 1 3 ARG H 1 16 CYS H 3.000 . 3.300 2.976 2.178 3.400 0.100 8 0 "[ . 1 . 2 ]" 1
26 1 3 ARG HA 1 3 ARG QD 4.000 . 6.000 1.717 1.694 1.731 0.106 4 0 "[ . 1 . 2 ]" 1
27 1 3 ARG HA 1 3 ARG QG 3.000 . 4.300 2.947 2.825 2.992 . 0 0 "[ . 1 . 2 ]" 1
28 1 3 ARG HA 1 4 TYR H 2.000 . 2.700 2.089 2.059 2.121 . 0 0 "[ . 1 . 2 ]" 1
29 1 3 ARG HA 1 4 TYR QD 4.000 . 7.000 5.463 5.094 5.867 . 0 0 "[ . 1 . 2 ]" 1
30 1 3 ARG HA 1 16 CYS H 5.000 . 6.000 4.491 4.352 4.770 . 0 0 "[ . 1 . 2 ]" 1
31 1 3 ARG QB 1 4 TYR H 4.000 . 6.000 3.703 3.611 3.765 . 0 0 "[ . 1 . 2 ]" 1
32 1 3 ARG QB 1 7 GLY QA 3.000 . 5.300 2.115 1.860 2.525 . 0 0 "[ . 1 . 2 ]" 1
33 1 3 ARG QB 1 8 GLY H 5.000 . 7.000 4.170 3.909 4.451 . 0 0 "[ . 1 . 2 ]" 1
34 1 3 ARG QB 1 15 CYS HA 2.000 . 2.700 2.277 2.096 2.474 . 0 0 "[ . 1 . 2 ]" 1
35 1 3 ARG QB 1 16 CYS H 4.000 . 6.000 3.803 3.656 4.017 . 0 0 "[ . 1 . 2 ]" 1
36 1 3 ARG QB 1 28 CYS HB2 4.000 . 6.000 3.405 2.942 3.671 . 0 0 "[ . 1 . 2 ]" 1
37 1 3 ARG QD 1 4 TYR H 3.000 . 3.300 3.208 2.953 3.304 0.004 3 0 "[ . 1 . 2 ]" 1
38 1 3 ARG QD 1 8 GLY H 4.000 . 6.000 4.051 3.311 4.786 . 0 0 "[ . 1 . 2 ]" 1
39 1 3 ARG QG 1 4 TYR H 4.000 . 6.000 4.532 4.168 4.704 . 0 0 "[ . 1 . 2 ]" 1
40 1 3 ARG QG 1 7 GLY H 4.000 . 6.000 4.334 3.986 4.833 . 0 0 "[ . 1 . 2 ]" 1
41 1 3 ARG QG 1 7 GLY QA 2.000 . 4.700 2.290 1.817 2.826 . 0 0 "[ . 1 . 2 ]" 1
42 1 3 ARG QG 1 15 CYS HA 4.000 . 6.000 4.117 3.703 4.430 . 0 0 "[ . 1 . 2 ]" 1
43 1 4 TYR H 1 4 TYR HA 2.000 . 2.700 2.792 2.765 2.840 0.140 18 0 "[ . 1 . 2 ]" 1
44 1 4 TYR H 1 4 TYR QB 2.000 . 3.700 2.103 2.036 2.221 . 0 0 "[ . 1 . 2 ]" 1
45 1 4 TYR H 1 4 TYR QD 5.000 . 8.000 3.790 3.446 4.177 . 0 0 "[ . 1 . 2 ]" 1
46 1 4 TYR H 1 5 LEU H 5.000 3.300 6.000 4.462 4.354 4.643 . 0 0 "[ . 1 . 2 ]" 1
47 1 4 TYR H 1 7 GLY H 4.000 . 5.000 5.013 4.779 5.054 0.054 17 0 "[ . 1 . 2 ]" 1
48 1 4 TYR H 1 7 GLY QA 4.000 . 6.000 3.721 3.573 3.855 . 0 0 "[ . 1 . 2 ]" 1
49 1 4 TYR H 1 19 LEU QD 5.000 . 8.400 3.744 3.666 3.840 . 0 0 "[ . 1 . 2 ]" 1
50 1 4 TYR HA 1 4 TYR QD 3.000 . 5.300 2.498 1.827 3.435 . 0 0 "[ . 1 . 2 ]" 1
51 1 4 TYR HA 1 5 LEU H 2.000 . 2.700 2.773 2.533 2.876 0.176 6 0 "[ . 1 . 2 ]" 1
52 1 4 TYR HA 1 16 CYS H 4.000 . 5.000 3.562 3.336 3.847 . 0 0 "[ . 1 . 2 ]" 1
53 1 4 TYR HA 1 16 CYS HB2 4.000 . 5.000 3.009 2.925 3.092 . 0 0 "[ . 1 . 2 ]" 1
54 1 4 TYR HA 1 17 LYS H 4.000 . 5.000 5.294 5.256 5.334 0.334 3 0 "[ . 1 . 2 ]" 1
55 1 4 TYR HA 1 19 LEU QD 2.000 . 5.100 1.722 1.679 1.822 0.121 12 0 "[ . 1 . 2 ]" 1
56 1 4 TYR QB 1 4 TYR QD 2.000 . 5.700 2.163 2.132 2.292 . 0 0 "[ . 1 . 2 ]" 1
57 1 4 TYR QB 1 5 LEU H 2.000 . 3.700 2.374 1.858 3.229 . 0 0 "[ . 1 . 2 ]" 1
58 1 4 TYR QB 1 5 LEU QB 5.000 . 8.000 3.801 3.326 4.426 . 0 0 "[ . 1 . 2 ]" 1
59 1 4 TYR QB 1 19 LEU QD 4.000 . 8.400 3.128 2.866 3.287 . 0 0 "[ . 1 . 2 ]" 1
60 1 4 TYR QD 1 5 LEU H 3.000 . 5.300 2.405 1.856 2.795 . 0 0 "[ . 1 . 2 ]" 1
61 1 4 TYR QD 1 5 LEU QB 4.000 . 8.000 3.115 2.408 3.663 . 0 0 "[ . 1 . 2 ]" 1
62 1 4 TYR QD 1 5 LEU QD 2.000 . 7.100 4.150 3.121 4.696 . 0 0 "[ . 1 . 2 ]" 1
63 1 4 TYR QD 1 16 CYS HB2 4.000 . 7.000 3.589 2.750 5.174 . 0 0 "[ . 1 . 2 ]" 1
64 1 4 TYR QD 1 16 CYS HB3 4.000 . 7.000 3.874 3.155 5.531 . 0 0 "[ . 1 . 2 ]" 1
65 1 4 TYR QE 1 5 LEU QB 5.000 . 9.000 3.706 2.307 4.874 . 0 0 "[ . 1 . 2 ]" 1
66 1 4 TYR QE 1 5 LEU QD 4.000 . 9.400 4.170 2.772 5.122 . 0 0 "[ . 1 . 2 ]" 1
67 1 4 TYR QE 1 16 CYS HB2 5.000 . 8.000 4.778 3.904 7.071 . 0 0 "[ . 1 . 2 ]" 1
68 1 4 TYR QE 1 19 LEU QD 5.000 . 10.400 3.458 2.920 4.226 . 0 0 "[ . 1 . 2 ]" 1
69 1 5 LEU H 1 5 LEU QB 3.000 . 4.300 2.126 2.039 2.259 . 0 0 "[ . 1 . 2 ]" 1
70 1 5 LEU H 1 5 LEU QD 4.000 . 7.400 3.474 2.893 3.699 . 0 0 "[ . 1 . 2 ]" 1
71 1 5 LEU H 1 5 LEU HG 4.000 . 5.000 4.147 3.040 4.629 . 0 0 "[ . 1 . 2 ]" 1
72 1 5 LEU H 1 6 PHE H 5.000 . 6.000 4.520 4.391 4.609 . 0 0 "[ . 1 . 2 ]" 1
73 1 5 LEU H 1 19 LEU QD 4.000 . 7.400 2.065 1.730 2.308 0.070 18 0 "[ . 1 . 2 ]" 1
74 1 5 LEU HA 1 5 LEU QD 3.000 . 5.700 2.338 1.842 2.912 . 0 0 "[ . 1 . 2 ]" 1
75 1 5 LEU HA 1 5 LEU HG 4.000 . 5.000 2.685 2.099 3.648 . 0 0 "[ . 1 . 2 ]" 1
76 1 5 LEU HA 1 6 PHE H 2.000 . 2.700 2.142 2.124 2.187 . 0 0 "[ . 1 . 2 ]" 1
77 1 5 LEU HA 1 6 PHE HA 4.000 . 5.000 4.363 4.332 4.400 . 0 0 "[ . 1 . 2 ]" 1
78 1 5 LEU HA 1 6 PHE QD 5.000 . 8.000 4.932 4.084 5.790 . 0 0 "[ . 1 . 2 ]" 1
79 1 5 LEU HA 1 7 GLY H 4.000 . 5.000 3.557 3.266 3.922 . 0 0 "[ . 1 . 2 ]" 1
80 1 5 LEU HA 1 19 LEU QD 3.000 . 5.700 1.689 1.661 1.739 0.139 8 0 "[ . 1 . 2 ]" 1
81 1 5 LEU HA 1 27 TYR QD 5.000 . 8.000 5.353 4.461 6.501 . 0 0 "[ . 1 . 2 ]" 1
82 1 5 LEU HA 1 28 CYS HB3 4.000 . 5.000 4.460 4.193 4.757 . 0 0 "[ . 1 . 2 ]" 1
83 1 5 LEU HA 1 29 ALA HA 4.000 . 5.000 3.855 3.276 4.151 . 0 0 "[ . 1 . 2 ]" 1
84 1 5 LEU QB 1 6 PHE H 4.000 . 6.000 3.630 3.391 3.844 . 0 0 "[ . 1 . 2 ]" 1
85 1 5 LEU QB 1 6 PHE QD 4.000 . 8.000 3.987 2.081 5.560 . 0 0 "[ . 1 . 2 ]" 1
86 1 5 LEU QB 1 19 LEU QD 4.000 . 8.400 2.690 2.230 2.973 . 0 0 "[ . 1 . 2 ]" 1
87 1 5 LEU QB 1 30 TRP HE1 5.000 . 7.000 4.501 3.937 5.079 . 0 0 "[ . 1 . 2 ]" 1
88 1 5 LEU QB 1 30 TRP HZ2 5.000 . 7.000 3.385 2.740 4.181 . 0 0 "[ . 1 . 2 ]" 1
89 1 5 LEU QD 1 6 PHE H 3.000 . 5.700 2.784 1.887 3.810 . 0 0 "[ . 1 . 2 ]" 1
90 1 5 LEU QD 1 6 PHE HA 5.000 . 8.400 3.983 3.137 5.014 . 0 0 "[ . 1 . 2 ]" 1
91 1 5 LEU QD 1 6 PHE QB 4.000 . 8.400 3.326 2.304 4.016 . 0 0 "[ . 1 . 2 ]" 1
92 1 5 LEU QD 1 6 PHE QD 4.000 . 9.400 3.133 2.117 4.641 . 0 0 "[ . 1 . 2 ]" 1
93 1 5 LEU QD 1 7 GLY H 5.000 . 8.400 4.609 3.907 5.329 . 0 0 "[ . 1 . 2 ]" 1
94 1 5 LEU QD 1 19 LEU QD 3.000 . 8.100 2.091 1.679 2.710 0.121 8 0 "[ . 1 . 2 ]" 1
95 1 5 LEU QD 1 27 TYR QD 4.000 . 9.400 4.508 3.311 5.456 . 0 0 "[ . 1 . 2 ]" 1
96 1 5 LEU QD 1 27 TYR QE 5.000 . 10.400 4.725 3.682 5.712 . 0 0 "[ . 1 . 2 ]" 1
97 1 5 LEU QD 1 29 ALA H 5.000 . 8.400 4.706 4.176 5.424 . 0 0 "[ . 1 . 2 ]" 1
98 1 5 LEU QD 1 29 ALA HA 2.000 . 5.100 2.522 1.994 3.436 . 0 0 "[ . 1 . 2 ]" 1
99 1 5 LEU QD 1 29 ALA MB 3.000 . 6.500 3.472 2.996 3.886 . 0 0 "[ . 1 . 2 ]" 1
100 1 5 LEU QD 1 30 TRP H 3.000 . 5.700 2.599 2.232 3.360 . 0 0 "[ . 1 . 2 ]" 1
101 1 5 LEU QD 1 30 TRP HA 5.000 . 8.400 3.977 3.376 4.757 . 0 0 "[ . 1 . 2 ]" 1
102 1 5 LEU QD 1 30 TRP QB 4.000 . 8.400 3.821 3.437 4.592 . 0 0 "[ . 1 . 2 ]" 1
103 1 5 LEU QD 1 30 TRP HD1 3.000 . 5.700 3.159 2.701 4.061 . 0 0 "[ . 1 . 2 ]" 1
104 1 5 LEU QD 1 30 TRP HE1 3.000 . 5.700 2.212 1.738 2.846 0.062 2 0 "[ . 1 . 2 ]" 1
105 1 5 LEU QD 1 30 TRP HE3 5.000 . 8.400 4.039 3.463 4.859 . 0 0 "[ . 1 . 2 ]" 1
106 1 5 LEU QD 1 30 TRP HH2 3.000 . 5.700 3.710 3.179 4.238 . 0 0 "[ . 1 . 2 ]" 1
107 1 5 LEU QD 1 30 TRP HZ2 3.000 . 5.700 2.539 1.981 3.025 . 0 0 "[ . 1 . 2 ]" 1
108 1 5 LEU QD 1 30 TRP HZ3 5.000 . 8.400 4.291 3.571 5.023 . 0 0 "[ . 1 . 2 ]" 1
109 1 5 LEU HG 1 6 PHE H 4.000 . 5.000 3.603 2.487 4.576 . 0 0 "[ . 1 . 2 ]" 1
110 1 5 LEU HG 1 6 PHE QD 4.000 . 7.000 4.536 2.932 6.078 . 0 0 "[ . 1 . 2 ]" 1
111 1 5 LEU HG 1 30 TRP H 4.000 . 5.000 4.237 3.498 5.035 0.035 21 0 "[ . 1 . 2 ]" 1
112 1 6 PHE H 1 6 PHE HA 2.000 . 2.700 2.284 2.269 2.309 . 0 0 "[ . 1 . 2 ]" 1
113 1 6 PHE H 1 6 PHE QD 5.000 . 8.000 3.673 2.302 4.309 . 0 0 "[ . 1 . 2 ]" 1
114 1 6 PHE H 1 7 GLY H 3.000 . 3.300 2.492 2.317 2.610 . 0 0 "[ . 1 . 2 ]" 1
115 1 6 PHE H 1 19 LEU QD 4.000 . 7.400 2.907 2.687 3.153 . 0 0 "[ . 1 . 2 ]" 1
116 1 6 PHE H 1 27 TYR HB2 4.000 . 5.000 3.313 3.065 3.443 . 0 0 "[ . 1 . 2 ]" 1
117 1 6 PHE H 1 27 TYR HB3 4.000 . 5.000 4.942 4.692 5.053 0.053 10 0 "[ . 1 . 2 ]" 1
118 1 6 PHE H 1 27 TYR QD 3.000 . 5.300 3.700 2.704 4.788 . 0 0 "[ . 1 . 2 ]" 1
119 1 6 PHE H 1 27 TYR QE 5.000 . 8.000 5.221 4.450 6.189 . 0 0 "[ . 1 . 2 ]" 1
120 1 6 PHE H 1 28 CYS HB2 4.000 . 5.000 3.277 2.996 3.543 . 0 0 "[ . 1 . 2 ]" 1
121 1 6 PHE H 1 28 CYS HB3 5.000 . 6.000 4.722 4.466 4.863 . 0 0 "[ . 1 . 2 ]" 1
122 1 6 PHE H 1 28 CYS O 2.000 . 2.200 2.153 1.958 2.239 0.039 9 0 "[ . 1 . 2 ]" 1
123 1 6 PHE H 1 29 ALA HA 4.000 . 5.000 4.021 3.735 4.198 . 0 0 "[ . 1 . 2 ]" 1
124 1 6 PHE HA 1 6 PHE QD 3.000 . 5.300 2.483 1.915 2.959 . 0 0 "[ . 1 . 2 ]" 1
125 1 6 PHE HA 1 7 GLY H 4.000 . 5.000 3.000 2.827 3.195 . 0 0 "[ . 1 . 2 ]" 1
126 1 6 PHE HA 1 27 TYR HB2 3.000 . 3.300 2.142 1.874 2.310 . 0 0 "[ . 1 . 2 ]" 1
127 1 6 PHE HA 1 27 TYR HB3 3.000 . 3.300 3.211 2.951 3.340 0.040 1 0 "[ . 1 . 2 ]" 1
128 1 6 PHE HA 1 27 TYR QD 2.000 . 4.700 3.128 2.183 4.084 . 0 0 "[ . 1 . 2 ]" 1
129 1 6 PHE HA 1 27 TYR QE 4.000 . 7.000 4.710 4.087 5.653 . 0 0 "[ . 1 . 2 ]" 1
130 1 6 PHE HA 1 28 CYS H 4.000 . 5.000 3.153 2.900 3.405 . 0 0 "[ . 1 . 2 ]" 1
131 1 6 PHE HA 1 29 ALA HA 5.000 . 6.000 5.634 5.294 5.971 . 0 0 "[ . 1 . 2 ]" 1
132 1 6 PHE QB 1 7 GLY H 4.000 . 6.000 3.733 3.521 3.877 . 0 0 "[ . 1 . 2 ]" 1
133 1 6 PHE QB 1 27 TYR QD 4.000 . 8.000 4.578 3.558 5.314 . 0 0 "[ . 1 . 2 ]" 1
134 1 6 PHE QD 1 27 TYR HB2 5.000 . 8.000 3.836 2.794 4.591 . 0 0 "[ . 1 . 2 ]" 1
135 1 6 PHE QD 1 27 TYR QD 4.000 . 9.000 3.477 1.914 4.397 . 0 0 "[ . 1 . 2 ]" 1
136 1 6 PHE QE 1 27 TYR QE 4.000 . 9.000 3.926 2.353 5.541 . 0 0 "[ . 1 . 2 ]" 1
137 1 6 PHE N 1 28 CYS O 2.700 2.700 3.200 3.115 2.862 3.215 0.015 8 0 "[ . 1 . 2 ]" 1
138 1 7 GLY H 1 8 GLY H 5.000 3.300 6.000 4.462 4.217 4.612 . 0 0 "[ . 1 . 2 ]" 1
139 1 7 GLY H 1 27 TYR QD 5.000 . 8.000 4.665 4.080 5.439 . 0 0 "[ . 1 . 2 ]" 1
140 1 7 GLY H 1 28 CYS H 5.000 . 6.000 2.458 2.051 2.821 . 0 0 "[ . 1 . 2 ]" 1
141 1 7 GLY H 1 28 CYS HB2 3.000 . 3.300 2.701 2.289 2.992 . 0 0 "[ . 1 . 2 ]" 1
142 1 7 GLY H 1 28 CYS HB3 4.000 . 5.000 4.423 4.045 4.717 . 0 0 "[ . 1 . 2 ]" 1
143 1 7 GLY QA 1 8 GLY H 2.000 . 3.700 2.132 2.115 2.174 . 0 0 "[ . 1 . 2 ]" 1
144 1 8 GLY H 1 9 CYS H 5.000 . 6.000 4.501 4.415 4.608 . 0 0 "[ . 1 . 2 ]" 1
145 1 8 GLY H 1 27 TYR HA 5.000 . 6.000 4.302 3.901 4.759 . 0 0 "[ . 1 . 2 ]" 1
146 1 8 GLY QA 1 9 CYS H 2.000 . 3.700 2.126 2.113 2.157 . 0 0 "[ . 1 . 2 ]" 1
147 1 8 GLY QA 1 9 CYS QB 4.000 . 7.000 4.224 4.102 4.329 . 0 0 "[ . 1 . 2 ]" 1
148 1 8 GLY QA 1 27 TYR HA 4.000 . 6.000 2.505 2.087 2.926 . 0 0 "[ . 1 . 2 ]" 1
149 1 8 GLY QA 1 27 TYR HB2 4.000 . 6.000 4.346 3.940 4.726 . 0 0 "[ . 1 . 2 ]" 1
150 1 8 GLY QA 1 27 TYR HB3 4.000 . 6.000 3.782 3.338 4.108 . 0 0 "[ . 1 . 2 ]" 1
151 1 8 GLY QA 1 28 CYS H 4.000 . 6.000 4.556 4.169 4.951 . 0 0 "[ . 1 . 2 ]" 1
152 1 9 CYS H 1 26 LYS QB 5.000 . 7.000 4.663 3.484 5.375 . 0 0 "[ . 1 . 2 ]" 1
153 1 9 CYS H 1 26 LYS O 2.000 . 2.200 2.057 1.695 2.234 0.034 17 0 "[ . 1 . 2 ]" 1
154 1 9 CYS H 1 27 TYR HA 3.000 . 3.300 2.802 2.671 2.951 . 0 0 "[ . 1 . 2 ]" 1
155 1 9 CYS H 1 27 TYR HB3 4.000 . 5.000 4.968 4.785 5.041 0.041 1 0 "[ . 1 . 2 ]" 1
156 1 9 CYS H 1 28 CYS H 5.000 . 6.000 4.893 4.729 5.163 . 0 0 "[ . 1 . 2 ]" 1
157 1 9 CYS HA 1 9 CYS QB 2.000 . 3.700 2.179 2.171 2.184 . 0 0 "[ . 1 . 2 ]" 1
158 1 9 CYS HA 1 10 LYS H 2.000 . 2.700 2.193 2.159 2.237 . 0 0 "[ . 1 . 2 ]" 1
159 1 9 CYS HA 1 10 LYS QB 4.000 . 6.000 4.212 3.965 4.703 . 0 0 "[ . 1 . 2 ]" 1
160 1 9 CYS HA 1 11 THR H 4.000 . 5.000 3.675 3.558 3.816 . 0 0 "[ . 1 . 2 ]" 1
161 1 9 CYS HA 1 14 ASP H 5.000 . 6.000 5.451 5.309 5.624 . 0 0 "[ . 1 . 2 ]" 1
162 1 9 CYS HA 1 14 ASP HB2 3.000 . 3.300 3.284 3.135 3.343 0.043 17 0 "[ . 1 . 2 ]" 1
163 1 9 CYS HA 1 14 ASP HB3 3.000 . 3.300 2.591 2.351 2.987 . 0 0 "[ . 1 . 2 ]" 1
164 1 9 CYS QB 1 10 LYS H 2.000 . 3.700 2.940 2.761 3.079 . 0 0 "[ . 1 . 2 ]" 1
165 1 9 CYS QB 1 11 THR H 2.000 . 3.700 2.621 2.485 2.775 . 0 0 "[ . 1 . 2 ]" 1
166 1 9 CYS QB 1 14 ASP H 4.000 . 6.000 3.535 3.354 3.705 . 0 0 "[ . 1 . 2 ]" 1
167 1 9 CYS QB 1 15 CYS H 4.000 . 6.000 4.000 3.752 4.255 . 0 0 "[ . 1 . 2 ]" 1
168 1 9 CYS QB 1 15 CYS HA 5.000 . 7.000 3.729 3.579 3.882 . 0 0 "[ . 1 . 2 ]" 1
169 1 9 CYS QB 1 21 CYS H 4.000 . 6.000 4.715 4.472 4.872 . 0 0 "[ . 1 . 2 ]" 1
170 1 9 CYS QB 1 21 CYS HB2 3.000 . 4.300 2.797 2.590 2.948 . 0 0 "[ . 1 . 2 ]" 1
171 1 9 CYS QB 1 21 CYS HB3 4.000 . 6.000 3.892 3.701 4.108 . 0 0 "[ . 1 . 2 ]" 1
172 1 9 CYS QB 1 27 TYR HA 5.000 . 7.000 4.411 4.213 4.652 . 0 0 "[ . 1 . 2 ]" 1
173 1 9 CYS QB 1 28 CYS H 4.000 . 6.000 4.820 4.513 5.124 . 0 0 "[ . 1 . 2 ]" 1
174 1 9 CYS QB 1 28 CYS HB3 4.000 . 6.000 4.511 4.417 4.664 . 0 0 "[ . 1 . 2 ]" 1
175 1 9 CYS N 1 26 LYS O 2.700 2.700 3.200 3.000 2.667 3.209 0.033 12 0 "[ . 1 . 2 ]" 1
176 1 9 CYS SG 1 21 CYS SG 2.020 . 2.120 2.031 2.030 2.033 . 0 0 "[ . 1 . 2 ]" 1
177 1 10 LYS H 1 10 LYS QB 3.000 . 4.300 2.298 2.105 2.789 . 0 0 "[ . 1 . 2 ]" 1
178 1 10 LYS H 1 11 THR H 2.000 . 2.700 2.217 2.016 2.315 . 0 0 "[ . 1 . 2 ]" 1
179 1 10 LYS H 1 11 THR MG 5.000 . 6.800 3.833 3.362 5.231 . 0 0 "[ . 1 . 2 ]" 1
180 1 10 LYS H 1 14 ASP HB2 4.000 . 5.000 2.738 2.539 2.996 . 0 0 "[ . 1 . 2 ]" 1
181 1 10 LYS H 1 14 ASP HB3 4.000 . 5.000 2.707 2.439 3.056 . 0 0 "[ . 1 . 2 ]" 1
182 1 10 LYS HA 1 10 LYS QB 2.000 . 3.700 2.448 2.222 2.539 . 0 0 "[ . 1 . 2 ]" 1
183 1 10 LYS HA 1 10 LYS QD 3.000 . 4.300 3.097 1.827 3.901 . 0 0 "[ . 1 . 2 ]" 1
184 1 10 LYS HA 1 10 LYS QG 3.000 . 4.300 2.387 2.024 3.046 . 0 0 "[ . 1 . 2 ]" 1
185 1 10 LYS HA 1 11 THR H 3.000 . 3.300 3.395 3.372 3.421 0.121 21 0 "[ . 1 . 2 ]" 1
186 1 10 LYS QB 1 11 THR H 2.000 . 3.700 2.992 2.856 3.099 . 0 0 "[ . 1 . 2 ]" 1
187 1 10 LYS QB 1 11 THR MG 3.000 . 5.100 2.550 2.046 3.746 . 0 0 "[ . 1 . 2 ]" 1
188 1 11 THR H 1 11 THR HB 4.000 . 5.000 3.804 3.445 3.945 . 0 0 "[ . 1 . 2 ]" 1
189 1 11 THR H 1 11 THR MG 4.000 . 5.800 2.640 2.171 3.816 . 0 0 "[ . 1 . 2 ]" 1
190 1 11 THR H 1 14 ASP H 4.000 . 5.000 3.660 3.386 4.222 . 0 0 "[ . 1 . 2 ]" 1
191 1 11 THR H 1 14 ASP HB2 3.000 . 3.300 1.994 1.878 2.142 . 0 0 "[ . 1 . 2 ]" 1
192 1 11 THR H 1 14 ASP HB3 3.000 . 3.300 3.290 3.174 3.343 0.043 17 0 "[ . 1 . 2 ]" 1
193 1 11 THR HA 1 11 THR MG 3.000 . 4.100 2.844 2.016 3.045 . 0 0 "[ . 1 . 2 ]" 1
194 1 11 THR HA 1 12 THR H 2.000 . 2.700 2.559 2.377 2.657 . 0 0 "[ . 1 . 2 ]" 1
195 1 11 THR HA 1 12 THR HA 5.000 . 6.000 4.301 4.282 4.316 . 0 0 "[ . 1 . 2 ]" 1
196 1 11 THR HA 1 13 SER H 4.000 . 5.000 4.310 4.106 4.386 . 0 0 "[ . 1 . 2 ]" 1
197 1 11 THR HA 1 21 CYS HB2 4.000 . 5.000 4.280 4.041 4.469 . 0 0 "[ . 1 . 2 ]" 1
198 1 11 THR HA 1 21 CYS HB3 3.000 . 3.300 3.280 3.124 3.346 0.046 21 0 "[ . 1 . 2 ]" 1
199 1 11 THR HB 1 12 THR H 2.000 . 2.700 2.802 2.689 2.879 0.179 15 0 "[ . 1 . 2 ]" 1
200 1 11 THR HB 1 13 SER H 4.000 . 5.000 3.551 2.200 3.951 . 0 0 "[ . 1 . 2 ]" 1
201 1 11 THR MG 1 12 THR H 4.000 . 5.800 3.550 2.656 3.772 . 0 0 "[ . 1 . 2 ]" 1
202 1 11 THR MG 1 13 SER H 3.000 . 4.100 3.437 3.374 3.490 . 0 0 "[ . 1 . 2 ]" 1
203 1 11 THR MG 1 13 SER QB 4.000 . 6.800 3.683 3.230 4.608 . 0 0 "[ . 1 . 2 ]" 1
204 1 11 THR MG 1 14 ASP H 4.000 . 5.800 3.846 3.058 4.698 . 0 0 "[ . 1 . 2 ]" 1
205 1 12 THR H 1 12 THR HB 2.000 . 2.700 2.296 2.239 2.384 . 0 0 "[ . 1 . 2 ]" 1
206 1 12 THR H 1 13 SER H 3.000 . 3.300 2.492 2.404 2.599 . 0 0 "[ . 1 . 2 ]" 1
207 1 12 THR H 1 14 ASP H 5.000 . 6.000 4.054 3.846 4.619 . 0 0 "[ . 1 . 2 ]" 1
208 1 12 THR H 1 21 CYS H 5.000 . 6.000 4.624 4.490 4.685 . 0 0 "[ . 1 . 2 ]" 1
209 1 12 THR H 1 21 CYS HB2 4.000 . 5.000 4.006 3.752 4.234 . 0 0 "[ . 1 . 2 ]" 1
210 1 12 THR H 1 21 CYS HB3 4.000 . 5.000 3.044 2.893 3.177 . 0 0 "[ . 1 . 2 ]" 1
211 1 12 THR HA 1 13 SER H 4.000 . 5.000 3.475 3.450 3.496 . 0 0 "[ . 1 . 2 ]" 1
212 1 12 THR HA 1 14 ASP H 4.000 . 5.000 3.498 3.410 3.688 . 0 0 "[ . 1 . 2 ]" 1
213 1 12 THR HA 1 15 CYS H 4.000 . 5.000 4.376 4.149 4.631 . 0 0 "[ . 1 . 2 ]" 1
214 1 12 THR HA 1 15 CYS HB2 4.000 . 5.000 4.434 4.060 4.719 . 0 0 "[ . 1 . 2 ]" 1
215 1 12 THR HA 1 20 GLY QA 5.000 . 7.000 3.564 3.457 3.645 . 0 0 "[ . 1 . 2 ]" 1
216 1 12 THR HA 1 21 CYS H 2.000 . 2.700 1.865 1.790 1.925 0.010 16 0 "[ . 1 . 2 ]" 1
217 1 12 THR HA 1 21 CYS HB2 2.000 . 2.700 1.992 1.852 2.171 . 0 0 "[ . 1 . 2 ]" 1
218 1 12 THR HA 1 21 CYS HB3 3.000 . 3.300 2.019 1.884 2.178 . 0 0 "[ . 1 . 2 ]" 1
219 1 12 THR HB 1 21 CYS H 4.000 . 5.000 4.362 4.163 4.520 . 0 0 "[ . 1 . 2 ]" 1
220 1 12 THR MG 1 13 SER H 3.000 . 4.100 3.382 3.315 3.456 . 0 0 "[ . 1 . 2 ]" 1
221 1 12 THR MG 1 13 SER QB 4.000 . 6.800 3.966 3.775 4.435 . 0 0 "[ . 1 . 2 ]" 1
222 1 12 THR MG 1 14 ASP H 5.000 . 6.800 4.316 4.126 4.503 . 0 0 "[ . 1 . 2 ]" 1
223 1 12 THR MG 1 15 CYS H 4.000 . 5.800 4.561 4.443 4.667 . 0 0 "[ . 1 . 2 ]" 1
224 1 12 THR MG 1 20 GLY QA 3.000 . 5.100 2.581 2.370 2.754 . 0 0 "[ . 1 . 2 ]" 1
225 1 12 THR MG 1 21 CYS H 2.000 . 3.500 2.667 2.599 2.798 . 0 0 "[ . 1 . 2 ]" 1
226 1 12 THR MG 1 21 CYS HB2 5.000 . 6.800 4.108 4.002 4.239 . 0 0 "[ . 1 . 2 ]" 1
227 1 13 SER H 1 13 SER HA 2.000 . 2.700 2.865 2.847 2.878 0.178 5 0 "[ . 1 . 2 ]" 1
228 1 13 SER H 1 13 SER QB 2.000 . 3.700 2.369 2.086 2.817 . 0 0 "[ . 1 . 2 ]" 1
229 1 13 SER H 1 14 ASP H 3.000 . 3.300 2.674 2.473 3.145 . 0 0 "[ . 1 . 2 ]" 1
230 1 13 SER HA 1 14 ASP H 3.000 . 3.300 3.147 2.786 3.338 0.038 3 0 "[ . 1 . 2 ]" 1
231 1 13 SER QB 1 14 ASP H 4.000 . 6.000 3.673 3.214 4.063 . 0 0 "[ . 1 . 2 ]" 1
232 1 14 ASP H 1 14 ASP HB2 3.000 . 3.300 2.354 2.207 2.626 . 0 0 "[ . 1 . 2 ]" 1
233 1 14 ASP H 1 14 ASP HB3 4.000 . 5.000 3.580 3.485 3.739 . 0 0 "[ . 1 . 2 ]" 1
234 1 14 ASP H 1 15 CYS H 2.000 . 2.700 2.359 1.869 2.661 . 0 0 "[ . 1 . 2 ]" 1
235 1 14 ASP HA 1 14 ASP HB2 3.000 . 3.300 2.995 2.974 3.019 . 0 0 "[ . 1 . 2 ]" 1
236 1 14 ASP HA 1 14 ASP HB3 2.000 . 2.700 2.622 2.525 2.677 . 0 0 "[ . 1 . 2 ]" 1
237 1 14 ASP HA 1 15 CYS H 4.000 . 5.000 3.196 3.103 3.306 . 0 0 "[ . 1 . 2 ]" 1
238 1 15 CYS H 1 15 CYS HB2 2.000 . 2.700 2.737 2.680 2.773 0.073 17 0 "[ . 1 . 2 ]" 1
239 1 15 CYS H 1 15 CYS HB3 4.000 . 5.000 3.802 3.761 3.835 . 0 0 "[ . 1 . 2 ]" 1
240 1 15 CYS H 1 16 CYS H 5.000 . 6.000 4.441 4.369 4.475 . 0 0 "[ . 1 . 2 ]" 1
241 1 15 CYS HA 1 15 CYS HB3 3.000 . 3.300 2.407 2.385 2.427 . 0 0 "[ . 1 . 2 ]" 1
242 1 15 CYS HA 1 16 CYS H 2.000 . 2.700 2.434 2.366 2.572 . 0 0 "[ . 1 . 2 ]" 1
243 1 15 CYS HA 1 16 CYS HB2 5.000 . 6.000 4.988 4.939 5.058 . 0 0 "[ . 1 . 2 ]" 1
244 1 15 CYS HA 1 19 LEU HB3 5.000 . 6.000 5.039 4.885 5.159 . 0 0 "[ . 1 . 2 ]" 1
245 1 15 CYS HA 1 19 LEU QD 4.000 . 7.400 4.364 4.183 4.492 . 0 0 "[ . 1 . 2 ]" 1
246 1 15 CYS HA 1 28 CYS HB2 5.000 . 6.000 4.936 4.742 5.078 . 0 0 "[ . 1 . 2 ]" 1
247 1 15 CYS HA 1 28 CYS HB3 5.000 . 6.000 4.504 4.308 4.688 . 0 0 "[ . 1 . 2 ]" 1
248 1 15 CYS HB2 1 16 CYS H 4.000 . 5.000 3.251 3.000 3.373 . 0 0 "[ . 1 . 2 ]" 1
249 1 15 CYS HB2 1 19 LEU HB2 3.000 . 3.300 3.317 3.212 3.358 0.058 14 0 "[ . 1 . 2 ]" 1
250 1 15 CYS HB2 1 19 LEU HB3 3.000 . 3.300 3.331 3.288 3.378 0.078 12 0 "[ . 1 . 2 ]" 1
251 1 15 CYS HB2 1 19 LEU QD 4.000 . 7.400 4.084 3.994 4.181 . 0 0 "[ . 1 . 2 ]" 1
252 1 15 CYS HB2 1 21 CYS H 4.000 . 5.000 3.703 3.553 3.823 . 0 0 "[ . 1 . 2 ]" 1
253 1 15 CYS HB3 1 16 CYS H 3.000 . 3.300 2.243 2.024 2.370 . 0 0 "[ . 1 . 2 ]" 1
254 1 15 CYS HB3 1 16 CYS HB2 4.000 . 5.000 4.165 4.104 4.262 . 0 0 "[ . 1 . 2 ]" 1
255 1 15 CYS HB3 1 19 LEU HB2 2.000 . 2.700 2.641 2.542 2.719 0.019 7 0 "[ . 1 . 2 ]" 1
256 1 15 CYS HB3 1 19 LEU HB3 2.000 . 2.700 2.650 2.546 2.745 0.045 8 0 "[ . 1 . 2 ]" 1
257 1 15 CYS HB3 1 19 LEU QD 3.000 . 5.700 3.074 2.955 3.222 . 0 0 "[ . 1 . 2 ]" 1
258 1 15 CYS HB3 1 19 LEU HG 4.000 . 5.000 5.048 4.974 5.089 0.089 7 0 "[ . 1 . 2 ]" 1
259 1 15 CYS HB3 1 21 CYS H 4.000 . 5.000 4.934 4.743 5.026 0.026 11 0 "[ . 1 . 2 ]" 1
260 1 15 CYS HB3 1 28 CYS HA 4.000 . 5.000 4.503 4.259 4.711 . 0 0 "[ . 1 . 2 ]" 1
261 1 15 CYS HB3 1 28 CYS HB3 3.000 . 3.300 2.413 2.294 2.571 . 0 0 "[ . 1 . 2 ]" 1
262 1 15 CYS SG 1 28 CYS SG 2.020 . 2.120 2.029 2.025 2.031 . 0 0 "[ . 1 . 2 ]" 1
263 1 16 CYS H 1 16 CYS HA 3.000 . 3.300 2.775 2.739 2.842 . 0 0 "[ . 1 . 2 ]" 1
264 1 16 CYS H 1 16 CYS HB2 3.000 . 3.300 2.561 2.490 2.605 . 0 0 "[ . 1 . 2 ]" 1
265 1 16 CYS H 1 16 CYS HB3 4.000 . 5.000 3.548 3.536 3.578 . 0 0 "[ . 1 . 2 ]" 1
266 1 16 CYS H 1 17 LYS H 5.000 . 6.000 4.210 4.148 4.253 . 0 0 "[ . 1 . 2 ]" 1
267 1 16 CYS H 1 19 LEU HB2 3.000 . 3.300 2.912 2.683 3.064 . 0 0 "[ . 1 . 2 ]" 1
268 1 16 CYS H 1 19 LEU HB3 5.000 . 6.000 3.995 3.779 4.134 . 0 0 "[ . 1 . 2 ]" 1
269 1 16 CYS H 1 19 LEU QD 3.000 . 5.700 2.794 2.560 2.945 . 0 0 "[ . 1 . 2 ]" 1
270 1 16 CYS H 1 28 CYS HB3 4.000 . 5.000 4.341 4.221 4.503 . 0 0 "[ . 1 . 2 ]" 1
271 1 16 CYS HA 1 17 LYS H 2.000 . 2.700 2.976 2.950 3.028 0.328 18 0 "[ . 1 . 2 ]" 1
272 1 16 CYS HB2 1 17 LYS H 3.000 . 3.300 2.369 2.273 2.456 . 0 0 "[ . 1 . 2 ]" 1
273 1 16 CYS HB2 1 19 LEU QD 2.000 . 5.100 1.950 1.705 2.156 0.095 12 0 "[ . 1 . 2 ]" 1
274 1 16 CYS HB3 1 17 LYS H 2.000 . 2.700 1.807 1.777 1.853 0.023 14 0 "[ . 1 . 2 ]" 1
275 1 16 CYS HB3 1 17 LYS QB 5.000 . 7.000 3.694 3.467 4.263 . 0 0 "[ . 1 . 2 ]" 1
276 1 16 CYS HB3 1 19 LEU QD 3.000 . 5.700 3.342 3.001 3.532 . 0 0 "[ . 1 . 2 ]" 1
277 1 17 LYS H 1 17 LYS HA 3.000 . 3.300 2.904 2.900 2.908 . 0 0 "[ . 1 . 2 ]" 1
278 1 17 LYS H 1 17 LYS QB 2.000 . 3.700 2.301 2.128 2.801 . 0 0 "[ . 1 . 2 ]" 1
279 1 17 LYS H 1 17 LYS QG 4.000 . 6.000 3.111 2.120 4.017 . 0 0 "[ . 1 . 2 ]" 1
280 1 17 LYS H 1 18 HIS H . . 2.700 2.740 2.718 2.793 0.093 12 0 "[ . 1 . 2 ]" 1
281 1 17 LYS H 1 18 HIS HA 4.000 . 5.000 5.192 5.182 5.209 0.209 12 0 "[ . 1 . 2 ]" 1
282 1 17 LYS H 1 19 LEU QD 5.000 . 8.400 3.669 3.218 3.801 . 0 0 "[ . 1 . 2 ]" 1
283 1 17 LYS HA 1 19 LEU QD 5.000 . 8.400 5.369 5.103 5.512 . 0 0 "[ . 1 . 2 ]" 1
284 1 17 LYS QB 1 18 HIS H 3.000 . 4.300 2.005 1.851 2.180 . 0 0 "[ . 1 . 2 ]" 1
285 1 17 LYS QB 1 30 TRP HZ3 4.000 . 6.000 5.160 4.887 5.376 . 0 0 "[ . 1 . 2 ]" 1
286 1 17 LYS QG 1 18 HIS H 4.000 . 6.000 3.898 3.519 4.088 . 0 0 "[ . 1 . 2 ]" 1
287 1 18 HIS H 1 18 HIS HA 2.000 . 2.700 2.769 2.758 2.784 0.084 12 0 "[ . 1 . 2 ]" 1
288 1 18 HIS H 1 18 HIS HB2 2.000 . 2.700 2.392 2.235 2.610 . 0 0 "[ . 1 . 2 ]" 1
289 1 18 HIS H 1 18 HIS HD2 5.000 . 6.000 3.518 2.018 5.052 . 0 0 "[ . 1 . 2 ]" 1
290 1 18 HIS H 1 19 LEU H 2.000 . 2.700 2.717 2.671 2.737 0.037 9 0 "[ . 1 . 2 ]" 1
291 1 18 HIS HA 1 18 HIS HB3 2.000 . 2.700 2.533 2.412 2.632 . 0 0 "[ . 1 . 2 ]" 1
292 1 18 HIS HA 1 19 LEU H 3.000 . 3.300 3.333 3.317 3.352 0.052 19 0 "[ . 1 . 2 ]" 1
293 1 18 HIS HA 1 30 TRP HE3 5.000 . 6.000 3.995 3.864 4.205 . 0 0 "[ . 1 . 2 ]" 1
294 1 18 HIS HA 1 31 ASP QB 5.000 . 7.000 5.000 2.883 6.296 . 0 0 "[ . 1 . 2 ]" 1
295 1 18 HIS HB2 1 19 LEU H 3.000 . 3.300 3.361 3.307 3.394 0.094 15 0 "[ . 1 . 2 ]" 1
296 1 18 HIS HB2 1 30 TRP HE3 4.000 . 5.000 2.809 2.362 3.105 . 0 0 "[ . 1 . 2 ]" 1
297 1 18 HIS HB2 1 30 TRP HZ3 3.000 . 3.300 1.881 1.839 2.067 . 0 0 "[ . 1 . 2 ]" 1
298 1 18 HIS HB3 1 19 LEU H 5.000 . 6.000 4.076 3.915 4.259 . 0 0 "[ . 1 . 2 ]" 1
299 1 18 HIS HB3 1 30 TRP HE3 4.000 . 5.000 2.346 2.030 2.802 . 0 0 "[ . 1 . 2 ]" 1
300 1 18 HIS HB3 1 30 TRP HZ3 3.000 . 3.300 2.982 2.582 3.297 . 0 0 "[ . 1 . 2 ]" 1
301 1 19 LEU H 1 19 LEU HB2 3.000 . 3.300 2.338 2.291 2.376 . 0 0 "[ . 1 . 2 ]" 1
302 1 19 LEU H 1 19 LEU HB3 4.000 . 5.000 3.589 3.562 3.614 . 0 0 "[ . 1 . 2 ]" 1
303 1 19 LEU H 1 19 LEU HG 4.000 . 5.000 3.200 2.989 3.377 . 0 0 "[ . 1 . 2 ]" 1
304 1 19 LEU H 1 20 GLY H 4.000 . 5.000 4.546 4.505 4.568 . 0 0 "[ . 1 . 2 ]" 1
305 1 19 LEU HA 1 19 LEU HB3 3.000 . 3.300 2.559 2.511 2.588 . 0 0 "[ . 1 . 2 ]" 1
306 1 19 LEU HA 1 19 LEU QD 3.000 . 5.700 2.772 2.575 2.918 . 0 0 "[ . 1 . 2 ]" 1
307 1 19 LEU HA 1 19 LEU HG 3.000 . 3.300 2.353 2.259 2.444 . 0 0 "[ . 1 . 2 ]" 1
308 1 19 LEU HA 1 20 GLY H 2.000 . 2.700 2.278 2.132 2.412 . 0 0 "[ . 1 . 2 ]" 1
309 1 19 LEU HA 1 30 TRP H 5.000 . 6.000 4.015 3.860 4.192 . 0 0 "[ . 1 . 2 ]" 1
310 1 19 LEU HA 1 30 TRP HA 2.000 . 2.700 2.258 2.127 2.446 . 0 0 "[ . 1 . 2 ]" 1
311 1 19 LEU HA 1 30 TRP HE3 4.000 . 5.000 2.879 2.482 3.437 . 0 0 "[ . 1 . 2 ]" 1
312 1 19 LEU HA 1 31 ASP H 3.000 . 3.300 3.260 2.553 3.363 0.063 15 0 "[ . 1 . 2 ]" 1
313 1 19 LEU HA 1 31 ASP QB 4.000 . 6.000 4.452 3.742 5.320 . 0 0 "[ . 1 . 2 ]" 1
314 1 19 LEU HB2 1 19 LEU QD 3.000 . 5.700 2.005 1.885 2.109 . 0 0 "[ . 1 . 2 ]" 1
315 1 19 LEU HB2 1 19 LEU HG 3.000 . 3.300 2.803 2.726 2.858 . 0 0 "[ . 1 . 2 ]" 1
316 1 19 LEU HB2 1 20 GLY H 4.000 . 5.000 3.863 3.638 4.170 . 0 0 "[ . 1 . 2 ]" 1
317 1 19 LEU HB2 1 28 CYS HB2 4.000 . 5.000 4.173 3.990 4.396 . 0 0 "[ . 1 . 2 ]" 1
318 1 19 LEU HB2 1 28 CYS HB3 3.000 . 3.300 3.279 3.149 3.347 0.047 19 0 "[ . 1 . 2 ]" 1
319 1 19 LEU HB2 1 29 ALA H 5.000 . 6.000 5.447 4.963 5.679 . 0 0 "[ . 1 . 2 ]" 1
320 1 19 LEU HB3 1 19 LEU QD 3.000 . 5.700 1.997 1.881 2.078 . 0 0 "[ . 1 . 2 ]" 1
321 1 19 LEU HB3 1 20 GLY H 3.000 . 3.300 2.592 2.251 3.146 . 0 0 "[ . 1 . 2 ]" 1
322 1 19 LEU HB3 1 28 CYS HB2 3.000 . 3.300 3.086 2.881 3.326 0.026 20 0 "[ . 1 . 2 ]" 1
323 1 19 LEU HB3 1 28 CYS HB3 2.000 . 2.700 1.894 1.815 1.971 . 0 0 "[ . 1 . 2 ]" 1
324 1 19 LEU HB3 1 29 ALA H 4.000 . 5.000 3.712 3.231 3.952 . 0 0 "[ . 1 . 2 ]" 1
325 1 19 LEU HB3 1 29 ALA HA 4.000 . 5.000 4.647 4.405 4.930 . 0 0 "[ . 1 . 2 ]" 1
326 1 19 LEU HB3 1 30 TRP HA 5.000 . 6.000 4.531 4.345 4.667 . 0 0 "[ . 1 . 2 ]" 1
327 1 19 LEU QD 1 20 GLY H 4.000 . 7.400 3.115 2.657 3.725 . 0 0 "[ . 1 . 2 ]" 1
328 1 19 LEU QD 1 28 CYS HB2 3.000 . 5.700 1.992 1.808 2.369 . 0 0 "[ . 1 . 2 ]" 1
329 1 19 LEU QD 1 28 CYS HB3 3.000 . 5.700 2.289 1.937 2.512 . 0 0 "[ . 1 . 2 ]" 1
330 1 19 LEU QD 1 29 ALA H 4.000 . 7.400 3.041 2.639 3.641 . 0 0 "[ . 1 . 2 ]" 1
331 1 19 LEU QD 1 29 ALA HA 3.000 . 5.700 2.559 2.280 2.845 . 0 0 "[ . 1 . 2 ]" 1
332 1 19 LEU QD 1 29 ALA MB 4.000 . 8.200 3.707 3.438 4.052 . 0 0 "[ . 1 . 2 ]" 1
333 1 19 LEU QD 1 30 TRP H 4.000 . 7.400 3.117 2.856 3.415 . 0 0 "[ . 1 . 2 ]" 1
334 1 19 LEU QD 1 30 TRP HA 3.000 . 5.700 3.418 3.049 3.628 . 0 0 "[ . 1 . 2 ]" 1
335 1 19 LEU QD 1 30 TRP QB 4.000 . 8.400 4.455 4.234 4.578 . 0 0 "[ . 1 . 2 ]" 1
336 1 19 LEU QD 1 30 TRP HD1 4.000 . 7.400 5.241 5.058 5.386 . 0 0 "[ . 1 . 2 ]" 1
337 1 19 LEU QD 1 30 TRP HE1 5.000 . 8.400 4.967 4.763 5.168 . 0 0 "[ . 1 . 2 ]" 1
338 1 19 LEU QD 1 30 TRP HE3 3.000 . 5.700 3.333 3.179 3.635 . 0 0 "[ . 1 . 2 ]" 1
339 1 19 LEU QD 1 30 TRP HH2 4.000 . 7.400 3.229 2.856 3.735 . 0 0 "[ . 1 . 2 ]" 1
340 1 19 LEU QD 1 30 TRP HZ2 5.000 . 8.400 4.239 4.048 4.527 . 0 0 "[ . 1 . 2 ]" 1
341 1 19 LEU QD 1 30 TRP HZ3 4.000 . 7.400 2.425 1.836 3.302 . 0 0 "[ . 1 . 2 ]" 1
342 1 19 LEU QD 1 31 ASP H 4.000 . 7.400 4.882 4.581 5.090 . 0 0 "[ . 1 . 2 ]" 1
343 1 19 LEU HG 1 20 GLY H 4.000 . 5.000 4.161 3.949 4.405 . 0 0 "[ . 1 . 2 ]" 1
344 1 19 LEU HG 1 30 TRP HA 3.000 . 3.300 3.071 2.774 3.320 0.020 12 0 "[ . 1 . 2 ]" 1
345 1 19 LEU HG 1 30 TRP HE3 3.000 . 3.300 2.523 2.316 2.928 . 0 0 "[ . 1 . 2 ]" 1
346 1 19 LEU HG 1 30 TRP HZ3 3.000 . 3.300 2.690 2.346 3.109 . 0 0 "[ . 1 . 2 ]" 1
347 1 19 LEU HG 1 31 ASP H 5.000 . 6.000 4.819 4.540 5.102 . 0 0 "[ . 1 . 2 ]" 1
348 1 20 GLY H 1 21 CYS H 5.000 . 6.000 4.189 4.037 4.386 . 0 0 "[ . 1 . 2 ]" 1
349 1 20 GLY H 1 29 ALA H 3.000 . 3.300 2.707 2.161 3.118 . 0 0 "[ . 1 . 2 ]" 1
350 1 20 GLY H 1 29 ALA MB 4.000 . 5.800 4.020 3.862 4.231 . 0 0 "[ . 1 . 2 ]" 1
351 1 20 GLY H 1 29 ALA O 2.000 . 2.200 1.897 1.693 2.210 0.010 6 0 "[ . 1 . 2 ]" 1
352 1 20 GLY H 1 30 TRP HA 4.000 . 5.000 3.813 3.369 4.213 . 0 0 "[ . 1 . 2 ]" 1
353 1 20 GLY H 1 31 ASP H 4.000 . 5.000 4.445 3.341 5.011 0.011 15 0 "[ . 1 . 2 ]" 1
354 1 20 GLY H 1 31 ASP QB 4.000 . 6.000 4.413 2.465 5.400 . 0 0 "[ . 1 . 2 ]" 1
355 1 20 GLY H 1 32 PHE QB 5.000 . 7.000 5.843 4.283 6.331 . 0 0 "[ . 1 . 2 ]" 1
356 1 20 GLY QA 1 29 ALA H 5.000 . 7.000 4.056 3.824 4.247 . 0 0 "[ . 1 . 2 ]" 1
357 1 20 GLY QA 1 31 ASP QB 4.000 . 7.000 3.826 2.035 5.349 . 0 0 "[ . 1 . 2 ]" 1
358 1 20 GLY N 1 29 ALA O 2.700 2.700 3.200 2.733 2.634 2.972 0.066 21 0 "[ . 1 . 2 ]" 1
359 1 20 GLY O 1 29 ALA H 2.000 . 2.200 2.233 2.205 2.251 0.051 10 0 "[ . 1 . 2 ]" 1
360 1 20 GLY O 1 29 ALA N 2.700 2.700 3.200 3.193 3.164 3.215 0.015 16 0 "[ . 1 . 2 ]" 1
361 1 21 CYS H 1 21 CYS HA 2.000 . 2.700 2.834 2.809 2.856 0.156 9 0 "[ . 1 . 2 ]" 1
362 1 21 CYS H 1 21 CYS HB2 3.000 . 3.300 2.307 2.246 2.382 . 0 0 "[ . 1 . 2 ]" 1
363 1 21 CYS H 1 21 CYS HB3 3.000 . 3.300 2.813 2.743 2.878 . 0 0 "[ . 1 . 2 ]" 1
364 1 21 CYS HA 1 22 LYS H 2.000 . 2.700 2.175 2.125 2.321 . 0 0 "[ . 1 . 2 ]" 1
365 1 21 CYS HA 1 22 LYS QB 4.000 . 6.000 4.414 3.956 4.734 . 0 0 "[ . 1 . 2 ]" 1
366 1 21 CYS HA 1 28 CYS H 5.000 . 6.000 5.135 4.954 5.369 . 0 0 "[ . 1 . 2 ]" 1
367 1 21 CYS HA 1 28 CYS HA 2.000 . 2.700 2.555 2.366 2.708 0.008 9 0 "[ . 1 . 2 ]" 1
368 1 21 CYS HA 1 28 CYS HB3 4.000 . 5.000 4.200 3.893 4.530 . 0 0 "[ . 1 . 2 ]" 1
369 1 21 CYS HA 1 29 ALA H 4.000 . 5.000 3.500 3.205 3.876 . 0 0 "[ . 1 . 2 ]" 1
370 1 22 LYS H 1 22 LYS QB 3.000 . 4.300 2.613 2.119 3.239 . 0 0 "[ . 1 . 2 ]" 1
371 1 22 LYS H 1 22 LYS QD 3.000 . 4.300 3.542 2.840 3.972 . 0 0 "[ . 1 . 2 ]" 1
372 1 22 LYS H 1 22 LYS QG 4.000 . 6.000 2.662 1.871 4.153 . 0 0 "[ . 1 . 2 ]" 1
373 1 22 LYS H 1 27 TYR H 4.000 . 5.000 4.890 4.374 5.094 0.094 16 0 "[ . 1 . 2 ]" 1
374 1 22 LYS H 1 28 CYS HA 4.000 . 5.000 3.770 3.340 4.213 . 0 0 "[ . 1 . 2 ]" 1
375 1 22 LYS H 1 29 ALA H 4.000 . 5.000 4.152 3.568 4.983 . 0 0 "[ . 1 . 2 ]" 1
376 1 22 LYS HA 1 22 LYS QD 4.000 . 6.000 3.498 2.005 4.528 . 0 0 "[ . 1 . 2 ]" 1
377 1 22 LYS HA 1 23 PHE H 2.000 . 2.700 2.295 2.137 2.735 0.035 15 0 "[ . 1 . 2 ]" 1
378 1 22 LYS QB 1 23 PHE H 4.000 . 6.000 2.944 1.974 3.897 . 0 0 "[ . 1 . 2 ]" 1
379 1 22 LYS QB 1 25 ASP H 5.000 . 7.000 3.703 2.482 5.643 . 0 0 "[ . 1 . 2 ]" 1
380 1 22 LYS QB 1 26 LYS H 5.000 . 7.000 4.670 3.977 6.016 . 0 0 "[ . 1 . 2 ]" 1
381 1 22 LYS QB 1 27 TYR QD 5.000 . 9.000 5.208 3.708 6.468 . 0 0 "[ . 1 . 2 ]" 1
382 1 22 LYS QB 1 27 TYR QE 4.000 . 8.000 4.731 2.769 6.203 . 0 0 "[ . 1 . 2 ]" 1
383 1 22 LYS QG 1 23 PHE H 5.000 . 7.000 4.036 2.564 4.768 . 0 0 "[ . 1 . 2 ]" 1
384 1 22 LYS QG 1 27 TYR QD 5.000 . 9.000 5.280 2.998 7.166 . 0 0 "[ . 1 . 2 ]" 1
385 1 22 LYS QG 1 27 TYR QE 4.000 . 8.000 4.854 2.411 6.370 . 0 0 "[ . 1 . 2 ]" 1
386 1 23 PHE H 1 23 PHE HA 2.000 . 2.700 2.735 2.295 2.886 0.186 13 0 "[ . 1 . 2 ]" 1
387 1 23 PHE H 1 23 PHE QB 3.000 . 4.300 2.416 2.048 2.995 . 0 0 "[ . 1 . 2 ]" 1
388 1 23 PHE H 1 23 PHE QD 5.000 . 8.000 2.917 1.842 4.155 . 0 0 "[ . 1 . 2 ]" 1
389 1 23 PHE HA 1 23 PHE QD 4.000 . 7.000 2.970 1.781 3.713 0.019 5 0 "[ . 1 . 2 ]" 1
390 1 23 PHE HA 1 24 ARG H 2.000 . 2.700 2.384 2.127 2.783 0.083 15 0 "[ . 1 . 2 ]" 1
391 1 23 PHE QB 1 23 PHE QD 2.000 . 5.700 2.143 2.124 2.249 . 0 0 "[ . 1 . 2 ]" 1
392 1 23 PHE QB 1 24 ARG H 3.000 . 4.300 3.523 1.831 3.944 . 0 0 "[ . 1 . 2 ]" 1
393 1 23 PHE QD 1 24 ARG H 4.000 . 7.000 4.036 2.193 4.909 . 0 0 "[ . 1 . 2 ]" 1
394 1 23 PHE QD 1 24 ARG QB 4.000 . 8.000 4.520 1.906 6.394 . 0 0 "[ . 1 . 2 ]" 1
395 1 24 ARG H 1 24 ARG QB 3.000 . 4.300 2.957 2.140 3.442 . 0 0 "[ . 1 . 2 ]" 1
396 1 24 ARG H 1 24 ARG QG 4.000 . 6.000 3.547 2.499 4.339 . 0 0 "[ . 1 . 2 ]" 1
397 1 24 ARG H 1 25 ASP H 3.000 . 3.300 2.799 2.100 3.276 . 0 0 "[ . 1 . 2 ]" 1
398 1 24 ARG HA 1 24 ARG QB 2.000 . 3.700 2.425 2.148 2.537 . 0 0 "[ . 1 . 2 ]" 1
399 1 24 ARG HA 1 25 ASP H 4.000 . 5.000 3.273 2.569 3.572 . 0 0 "[ . 1 . 2 ]" 1
400 1 24 ARG HA 1 26 LYS H 4.000 . 5.000 4.402 3.341 4.998 . 0 0 "[ . 1 . 2 ]" 1
401 1 24 ARG QB 1 25 ASP H 3.000 . 4.300 2.959 1.862 4.008 . 0 0 "[ . 1 . 2 ]" 1
402 1 24 ARG QD 1 24 ARG QH 2.000 . 6.100 1.921 1.819 2.192 . 0 0 "[ . 1 . 2 ]" 1
403 1 25 ASP H 1 25 ASP HA 3.000 . 3.300 2.828 2.612 2.947 . 0 0 "[ . 1 . 2 ]" 1
404 1 25 ASP H 1 26 LYS H 3.000 . 3.300 2.710 1.985 3.314 0.014 9 0 "[ . 1 . 2 ]" 1
405 1 25 ASP HA 1 26 LYS H 4.000 . 5.000 3.411 2.420 3.570 . 0 0 "[ . 1 . 2 ]" 1
406 1 25 ASP QB 1 26 LYS H 5.000 . 7.000 2.850 1.827 3.886 . 0 0 "[ . 1 . 2 ]" 1
407 1 25 ASP QB 1 27 TYR QD 3.000 . 6.300 3.520 2.300 5.016 . 0 0 "[ . 1 . 2 ]" 1
408 1 25 ASP QB 1 27 TYR QE 3.000 . 6.300 3.280 1.992 4.949 . 0 0 "[ . 1 . 2 ]" 1
409 1 26 LYS H 1 26 LYS HA 3.000 . 3.300 2.432 2.269 2.840 . 0 0 "[ . 1 . 2 ]" 1
410 1 26 LYS H 1 26 LYS QB 3.000 . 4.300 3.101 2.133 3.517 . 0 0 "[ . 1 . 2 ]" 1
411 1 26 LYS H 1 26 LYS QG 4.000 . 6.000 3.824 2.796 4.467 . 0 0 "[ . 1 . 2 ]" 1
412 1 26 LYS H 1 27 TYR H 4.000 . 5.000 2.690 2.224 3.158 . 0 0 "[ . 1 . 2 ]" 1
413 1 27 TYR H 1 27 TYR HB3 4.000 . 5.000 3.066 2.722 3.198 . 0 0 "[ . 1 . 2 ]" 1
414 1 27 TYR HA 1 27 TYR HB2 3.000 . 3.300 2.506 2.433 2.552 . 0 0 "[ . 1 . 2 ]" 1
415 1 27 TYR HA 1 27 TYR HB3 3.000 . 3.300 2.394 2.356 2.452 . 0 0 "[ . 1 . 2 ]" 1
416 1 27 TYR HA 1 27 TYR QE 5.000 . 8.000 5.631 5.560 5.660 . 0 0 "[ . 1 . 2 ]" 1
417 1 27 TYR HA 1 28 CYS H 2.000 . 2.700 2.677 2.630 2.726 0.026 1 0 "[ . 1 . 2 ]" 1
418 1 27 TYR HA 1 28 CYS HB2 4.000 . 5.000 4.963 4.822 5.063 0.063 10 0 "[ . 1 . 2 ]" 1
419 1 27 TYR HB2 1 27 TYR QD 3.000 . 5.300 2.538 2.320 2.738 . 0 0 "[ . 1 . 2 ]" 1
420 1 27 TYR HB2 1 28 CYS H 3.000 . 3.300 1.842 1.812 1.898 . 0 0 "[ . 1 . 2 ]" 1
421 1 27 TYR HB3 1 28 CYS H 3.000 . 3.300 3.372 3.340 3.402 0.102 1 0 "[ . 1 . 2 ]" 1
422 1 27 TYR QD 1 28 CYS H 3.000 . 5.300 2.949 2.572 3.524 . 0 0 "[ . 1 . 2 ]" 1
423 1 27 TYR QD 1 29 ALA H 5.000 . 8.000 4.091 3.570 5.068 . 0 0 "[ . 1 . 2 ]" 1
424 1 27 TYR QD 1 29 ALA HA 4.000 . 7.000 4.262 3.676 5.588 . 0 0 "[ . 1 . 2 ]" 1
425 1 27 TYR QD 1 29 ALA MB 3.000 . 6.100 3.343 2.866 4.182 . 0 0 "[ . 1 . 2 ]" 1
426 1 27 TYR QE 1 28 CYS H 5.000 . 8.000 5.108 4.861 5.387 . 0 0 "[ . 1 . 2 ]" 1
427 1 27 TYR QE 1 29 ALA HA 4.000 . 7.000 4.442 3.643 5.772 . 0 0 "[ . 1 . 2 ]" 1
428 1 27 TYR QE 1 29 ALA MB 2.000 . 5.500 2.662 2.190 3.505 . 0 0 "[ . 1 . 2 ]" 1
429 1 28 CYS H 1 28 CYS HB2 2.000 . 2.700 2.646 2.556 2.720 0.020 7 0 "[ . 1 . 2 ]" 1
430 1 28 CYS H 1 28 CYS HB3 4.000 . 5.000 3.733 3.671 3.776 . 0 0 "[ . 1 . 2 ]" 1
431 1 28 CYS H 1 29 ALA H 5.000 . 6.000 4.427 4.313 4.511 . 0 0 "[ . 1 . 2 ]" 1
432 1 28 CYS HA 1 28 CYS HB2 3.000 . 3.300 3.021 3.012 3.026 . 0 0 "[ . 1 . 2 ]" 1
433 1 28 CYS HA 1 28 CYS HB3 3.000 . 3.300 2.413 2.381 2.462 . 0 0 "[ . 1 . 2 ]" 1
434 1 28 CYS HA 1 29 ALA H 2.000 . 2.700 2.168 2.125 2.280 . 0 0 "[ . 1 . 2 ]" 1
435 1 28 CYS HB2 1 29 ALA H 4.000 . 5.000 4.060 3.727 4.273 . 0 0 "[ . 1 . 2 ]" 1
436 1 28 CYS HB3 1 29 ALA H 4.000 . 5.000 3.219 2.800 3.454 . 0 0 "[ . 1 . 2 ]" 1
437 1 28 CYS HB3 1 29 ALA HA 4.000 . 5.000 4.679 4.548 4.852 . 0 0 "[ . 1 . 2 ]" 1
438 1 29 ALA H 1 29 ALA MB 3.000 . 4.100 2.500 2.431 2.578 . 0 0 "[ . 1 . 2 ]" 1
439 1 29 ALA H 1 30 TRP H 5.000 . 6.000 4.432 4.364 4.473 . 0 0 "[ . 1 . 2 ]" 1
440 1 29 ALA HA 1 30 TRP H 2.000 . 2.700 2.235 2.197 2.268 . 0 0 "[ . 1 . 2 ]" 1
441 1 29 ALA MB 1 30 TRP H 2.000 . 3.500 2.830 2.717 2.909 . 0 0 "[ . 1 . 2 ]" 1
442 1 29 ALA MB 1 31 ASP H 5.000 . 6.800 5.541 5.116 5.628 . 0 0 "[ . 1 . 2 ]" 1
443 1 30 TRP H 1 30 TRP QB 3.000 . 4.300 2.563 2.473 2.633 . 0 0 "[ . 1 . 2 ]" 1
444 1 30 TRP H 1 30 TRP HD1 5.000 . 6.000 3.514 3.133 3.683 . 0 0 "[ . 1 . 2 ]" 1
445 1 30 TRP H 1 31 ASP H 4.000 . 5.000 4.608 4.380 4.640 . 0 0 "[ . 1 . 2 ]" 1
446 1 30 TRP HA 1 30 TRP QB 2.000 . 3.700 2.381 2.335 2.419 . 0 0 "[ . 1 . 2 ]" 1
447 1 30 TRP HA 1 30 TRP HE3 2.000 . 2.700 1.932 1.825 2.280 . 0 0 "[ . 1 . 2 ]" 1
448 1 30 TRP QB 1 31 ASP H 4.000 . 6.000 2.691 2.471 3.249 . 0 0 "[ . 1 . 2 ]" 1
449 1 30 TRP QB 1 32 PHE H 5.000 . 7.000 4.311 3.139 5.680 . 0 0 "[ . 1 . 2 ]" 1
450 1 30 TRP HD1 1 31 ASP H 5.000 . 6.000 6.012 5.837 6.307 0.307 19 0 "[ . 1 . 2 ]" 1
451 1 30 TRP HE3 1 31 ASP H 3.000 . 3.300 3.165 2.895 3.358 0.058 19 0 "[ . 1 . 2 ]" 1
452 1 31 ASP H 1 31 ASP HA 2.000 . 2.700 2.633 2.301 2.837 0.137 20 0 "[ . 1 . 2 ]" 1
453 1 31 ASP H 1 31 ASP QB 3.000 . 4.300 2.821 2.064 3.495 . 0 0 "[ . 1 . 2 ]" 1
454 1 31 ASP H 1 32 PHE H 3.000 . 3.300 3.206 2.227 3.516 0.216 21 0 "[ . 1 . 2 ]" 1
455 1 31 ASP HA 1 32 PHE H 2.000 . 2.700 2.407 2.127 2.680 . 0 0 "[ . 1 . 2 ]" 1
456 1 31 ASP HA 1 33 THR H 5.000 . 6.000 5.468 3.971 6.056 0.056 8 0 "[ . 1 . 2 ]" 1
457 1 31 ASP QB 1 32 PHE H 3.000 . 4.300 3.905 3.699 4.015 . 0 0 "[ . 1 . 2 ]" 1
458 1 32 PHE H 1 32 PHE HA 2.000 . 2.700 2.717 2.294 2.916 0.216 19 0 "[ . 1 . 2 ]" 1
459 1 32 PHE H 1 32 PHE QB 2.000 . 3.700 2.578 2.052 3.232 . 0 0 "[ . 1 . 2 ]" 1
460 1 32 PHE H 1 32 PHE QD 4.000 . 7.000 4.044 1.991 4.591 . 0 0 "[ . 1 . 2 ]" 1
461 1 32 PHE H 1 33 THR MG 5.000 . 6.800 4.619 2.709 5.768 . 0 0 "[ . 1 . 2 ]" 1
462 1 32 PHE HA 1 32 PHE QB 2.000 . 3.700 2.379 2.179 2.533 . 0 0 "[ . 1 . 2 ]" 1
463 1 32 PHE HA 1 33 THR H 2.000 . 2.700 2.217 2.138 2.634 . 0 0 "[ . 1 . 2 ]" 1
464 1 32 PHE QB 1 32 PHE QD 2.000 . 5.700 2.152 2.123 2.235 . 0 0 "[ . 1 . 2 ]" 1
465 1 32 PHE QB 1 33 THR H 4.000 . 6.000 3.847 3.585 4.047 . 0 0 "[ . 1 . 2 ]" 1
466 1 32 PHE QD 1 33 THR H 4.000 . 7.000 3.553 2.023 4.732 . 0 0 "[ . 1 . 2 ]" 1
467 1 32 PHE QD 1 33 THR HA 5.000 . 8.000 4.665 3.933 5.542 . 0 0 "[ . 1 . 2 ]" 1
468 1 32 PHE QD 1 33 THR MG 4.000 . 7.800 4.280 2.441 5.977 . 0 0 "[ . 1 . 2 ]" 1
469 1 33 THR H 1 33 THR HA 3.000 . 3.300 2.718 2.273 2.944 . 0 0 "[ . 1 . 2 ]" 1
470 1 33 THR H 1 33 THR HB 4.000 . 5.000 3.615 2.593 4.039 . 0 0 "[ . 1 . 2 ]" 1
471 1 33 THR H 1 33 THR MG 4.000 . 5.800 2.939 1.841 3.939 . 0 0 "[ . 1 . 2 ]" 1
472 1 33 THR HA 1 33 THR MG 3.000 . 4.100 2.470 2.102 3.224 . 0 0 "[ . 1 . 2 ]" 1
473 1 33 THR HA 1 34 PHE H 3.000 . 3.300 2.713 2.145 3.498 0.198 11 0 "[ . 1 . 2 ]" 1
474 1 33 THR HA 1 34 PHE QD 5.000 . 8.000 4.954 3.270 6.566 . 0 0 "[ . 1 . 2 ]" 1
475 1 33 THR HB 1 34 PHE H 3.000 . 3.300 2.708 1.921 3.341 0.041 16 0 "[ . 1 . 2 ]" 1
476 1 33 THR MG 1 34 PHE H 5.000 . 6.800 3.585 1.896 4.179 . 0 0 "[ . 1 . 2 ]" 1
477 1 34 PHE H 1 34 PHE HA 3.000 . 3.300 2.631 2.273 2.946 . 0 0 "[ . 1 . 2 ]" 1
478 1 34 PHE H 1 34 PHE QB 3.000 . 4.300 2.899 2.181 3.408 . 0 0 "[ . 1 . 2 ]" 1
479 1 34 PHE H 1 34 PHE QD 4.000 . 7.000 3.525 1.963 4.372 . 0 0 "[ . 1 . 2 ]" 1
480 1 34 PHE HA 1 34 PHE QB 2.000 . 3.700 2.339 2.157 2.540 . 0 0 "[ . 1 . 2 ]" 1
481 1 34 PHE QB 1 34 PHE QD 2.000 . 5.700 2.166 2.122 2.325 . 0 0 "[ . 1 . 2 ]" 1
482 1 35 SER H 1 35 SER HA 3.000 . 3.300 2.667 2.273 2.948 . 0 0 "[ . 1 . 2 ]" 1
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