NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397285 |
1ssu   |
6160 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ssu
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 678
_Distance_constraint_stats_list.Viol_count 812
_Distance_constraint_stats_list.Viol_total 1408.978
_Distance_constraint_stats_list.Viol_max 0.859
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0868
_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 2 GLN 0.213 0.061 3 0 "[ . 1 . 2]"
1 3 GLU 0.247 0.110 19 0 "[ . 1 . 2]"
1 4 SER 0.555 0.067 12 0 "[ . 1 . 2]"
1 5 CYS 2.692 0.275 16 0 "[ . 1 . 2]"
1 6 LYS 3.188 0.271 1 0 "[ . 1 . 2]"
1 7 GLY 0.578 0.092 10 0 "[ . 1 . 2]"
1 8 ARG 2.956 0.275 16 0 "[ . 1 . 2]"
1 9 CYS 4.751 0.275 13 0 "[ . 1 . 2]"
1 10 THR 0.356 0.062 13 0 "[ . 1 . 2]"
1 11 GLU 3.636 0.448 8 0 "[ . 1 . 2]"
1 12 GLY 3.202 0.135 20 0 "[ . 1 . 2]"
1 13 PHE 3.961 0.245 10 0 "[ . 1 . 2]"
1 14 ASN 3.515 0.367 20 0 "[ . 1 . 2]"
1 15 VAL 6.294 0.253 9 0 "[ . 1 . 2]"
1 16 ASP 0.629 0.035 5 0 "[ . 1 . 2]"
1 17 LYS 3.697 0.367 20 0 "[ . 1 . 2]"
1 18 LYS 1.745 0.098 11 0 "[ . 1 . 2]"
1 19 CYS 2.772 0.201 11 0 "[ . 1 . 2]"
1 20 GLN 11.342 0.816 14 8 "[*-* . 1 +* * **]"
1 21 CYS 3.867 0.448 8 0 "[ . 1 . 2]"
1 22 ASP 0.520 0.075 15 0 "[ . 1 . 2]"
1 23 GLU 1.700 0.105 6 0 "[ . 1 . 2]"
1 24 LEU 7.549 0.522 17 1 "[ . 1 . + 2]"
1 25 CYS 1.569 0.172 9 0 "[ . 1 . 2]"
1 26 SER 0.724 0.073 20 0 "[ . 1 . 2]"
1 27 TYR 10.518 0.305 7 0 "[ . 1 . 2]"
1 28 TYR 10.100 0.859 17 2 "[ . *1 . + 2]"
1 29 GLN 0.302 0.063 7 0 "[ . 1 . 2]"
1 30 SER 2.580 0.859 17 2 "[ . -1 . + 2]"
1 31 CYS 1.791 0.114 9 0 "[ . 1 . 2]"
1 32 CYS 9.762 0.816 14 8 "[*-* . 1 +* * **]"
1 33 THR 0.374 0.090 1 0 "[ . 1 . 2]"
1 34 ASP 0.071 0.027 15 0 "[ . 1 . 2]"
1 35 TYR 5.871 0.186 17 0 "[ . 1 . 2]"
1 36 THR 2.485 0.563 9 1 "[ . +1 . 2]"
1 37 ALA 0.386 0.081 9 0 "[ . 1 . 2]"
1 38 GLU 0.192 0.043 12 0 "[ . 1 . 2]"
1 39 CYS 3.806 0.275 13 0 "[ . 1 . 2]"
1 40 LYS 2.570 0.563 9 1 "[ . +1 . 2]"
1 41 PRO 1.865 0.245 7 0 "[ . 1 . 2]"
1 42 GLN 0.466 0.245 7 0 "[ . 1 . 2]"
1 43 VAL 0.637 0.221 15 0 "[ . 1 . 2]"
1 44 THR 0.785 0.221 15 0 "[ . 1 . 2]"
1 45 ARG 0.415 0.094 6 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 1.230 0.274 5 0 "[ . 1 . 2]"
1 48 VAL 1.140 0.274 5 0 "[ . 1 . 2]"
1 49 PHE 0.056 0.056 10 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.026 0.026 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN HA 1 3 GLU H . . 2.700 2.368 2.197 2.611 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN HB2 1 3 GLU H . . 6.500 3.597 2.100 4.595 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HB3 1 2 GLN HG2 . . 3.000 2.574 2.262 3.061 0.061 3 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU HB2 . . 4.000 3.091 2.343 3.945 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU H 1 3 GLU HB3 . . 4.000 3.267 2.753 3.907 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU H 1 3 GLU HG2 . . 5.000 4.121 1.971 5.110 0.110 19 0 "[ . 1 . 2]" 1
7 1 3 GLU HA 1 3 GLU HG2 . . 4.000 3.248 2.353 3.888 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU HA 1 4 SER H . . 2.500 2.335 2.064 2.539 0.039 8 0 "[ . 1 . 2]" 1
9 1 3 GLU HB3 1 4 SER H . . 6.500 3.474 2.266 4.551 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER H 1 4 SER HB2 . . 4.000 3.518 2.453 4.019 0.019 19 0 "[ . 1 . 2]" 1
11 1 4 SER H 1 5 CYS H . . 6.500 4.458 4.318 4.687 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER H 1 6 LYS H . . 6.500 4.586 3.925 5.749 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER HA 1 5 CYS H . . 2.700 2.451 2.211 2.616 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER HA 1 6 LYS H . . 6.500 4.340 3.876 4.761 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER HA 1 32 CYS HB2 . . 5.000 4.491 2.569 5.063 0.063 17 0 "[ . 1 . 2]" 1
16 1 4 SER HA 1 32 CYS HB3 . . 5.000 4.504 2.176 5.067 0.067 12 0 "[ . 1 . 2]" 1
17 1 4 SER HA 1 34 ASP H . . 6.500 5.505 3.702 6.527 0.027 15 0 "[ . 1 . 2]" 1
18 1 4 SER HB2 1 5 CYS H . . 6.500 2.912 2.108 4.008 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER HB2 1 6 LYS H . . 6.500 3.824 3.036 5.106 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER HB3 1 5 CYS H . . 5.000 3.595 2.636 3.985 . 0 0 "[ . 1 . 2]" 1
21 1 5 CYS H 1 6 LYS H . . 3.500 2.912 2.218 3.268 . 0 0 "[ . 1 . 2]" 1
22 1 5 CYS H 1 32 CYS HB2 . . 6.500 4.731 3.824 5.635 . 0 0 "[ . 1 . 2]" 1
23 1 5 CYS H 1 32 CYS HB3 . . 6.500 4.801 3.770 5.450 . 0 0 "[ . 1 . 2]" 1
24 1 5 CYS H 1 34 ASP H . . 6.500 5.955 5.009 6.523 0.023 9 0 "[ . 1 . 2]" 1
25 1 5 CYS H 1 35 TYR HA . . 6.500 6.312 4.939 6.642 0.142 6 0 "[ . 1 . 2]" 1
26 1 5 CYS H 1 38 GLU HB2 . . 6.500 4.471 3.396 4.964 . 0 0 "[ . 1 . 2]" 1
27 1 5 CYS HA 1 8 ARG H . . 6.500 3.899 3.541 4.435 . 0 0 "[ . 1 . 2]" 1
28 1 5 CYS HA 1 8 ARG HB3 . . 6.500 4.099 2.666 4.805 . 0 0 "[ . 1 . 2]" 1
29 1 5 CYS HA 1 8 ARG HD3 . . 6.500 4.431 2.682 6.775 0.275 16 0 "[ . 1 . 2]" 1
30 1 5 CYS HA 1 8 ARG HG3 . . 6.500 4.285 3.505 5.759 . 0 0 "[ . 1 . 2]" 1
31 1 5 CYS HB2 1 6 LYS H . . 6.500 4.335 4.185 4.518 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS HB2 1 32 CYS HB2 . . 6.500 4.261 2.999 5.800 . 0 0 "[ . 1 . 2]" 1
33 1 5 CYS HB2 1 32 CYS HB3 . . 6.500 4.181 2.770 6.037 . 0 0 "[ . 1 . 2]" 1
34 1 5 CYS HB2 1 35 TYR H . . 6.500 6.526 6.356 6.625 0.125 20 0 "[ . 1 . 2]" 1
35 1 5 CYS HB2 1 35 TYR HA . . 5.000 4.964 4.727 5.086 0.086 3 0 "[ . 1 . 2]" 1
36 1 5 CYS HB2 1 35 TYR QD . . 6.500 5.805 5.277 6.307 . 0 0 "[ . 1 . 2]" 1
37 1 5 CYS HB2 1 38 GLU H . . 6.500 5.904 5.001 6.543 0.043 12 0 "[ . 1 . 2]" 1
38 1 5 CYS HB2 1 38 GLU HB3 . . 6.500 3.540 2.101 5.096 . 0 0 "[ . 1 . 2]" 1
39 1 5 CYS HB3 1 6 LYS H . . 6.500 3.514 2.970 4.042 . 0 0 "[ . 1 . 2]" 1
40 1 5 CYS HB3 1 8 ARG HB2 . . 6.500 5.117 4.499 6.093 . 0 0 "[ . 1 . 2]" 1
41 1 5 CYS HB3 1 9 CYS HA . . 6.500 5.329 5.017 6.429 . 0 0 "[ . 1 . 2]" 1
42 1 5 CYS HB3 1 38 GLU HB2 . . 5.000 4.423 3.551 5.027 0.027 15 0 "[ . 1 . 2]" 1
43 1 5 CYS HB3 1 38 GLU HB3 . . 6.500 3.252 2.278 4.381 . 0 0 "[ . 1 . 2]" 1
44 1 5 CYS HB3 1 39 CYS HB2 . . 6.500 5.245 4.165 6.311 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 6 LYS HB2 . . 4.000 2.408 2.184 2.697 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS H 1 6 LYS HB3 . . 4.000 3.429 2.571 3.642 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS H 1 6 LYS HD2 . . 6.500 4.656 2.966 5.891 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS H 1 6 LYS HE3 . . 6.500 4.621 2.263 5.962 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS H 1 7 GLY H . . 6.500 4.304 4.012 4.584 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS HA 1 6 LYS HB3 . . 3.000 2.627 2.397 3.046 0.046 8 0 "[ . 1 . 2]" 1
51 1 6 LYS HA 1 6 LYS HD3 . . 5.000 3.883 2.165 4.665 . 0 0 "[ . 1 . 2]" 1
52 1 6 LYS HA 1 6 LYS HE3 . . 6.500 4.611 2.422 5.992 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS HA 1 7 GLY H . . 2.500 2.086 2.028 2.217 . 0 0 "[ . 1 . 2]" 1
54 1 6 LYS HB2 1 6 LYS HE3 . . 5.000 3.536 2.177 4.398 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS HB2 1 7 GLY H . . 6.500 4.462 4.292 4.592 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS HB3 1 7 GLY H . . 6.500 3.869 3.409 4.461 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS HD2 1 7 GLY H . . 6.500 5.819 4.163 6.524 0.024 20 0 "[ . 1 . 2]" 1
58 1 6 LYS HD3 1 6 LYS HG2 . . 3.000 2.707 2.310 3.060 0.060 8 0 "[ . 1 . 2]" 1
59 1 6 LYS HD3 1 6 LYS HG3 . . 2.500 2.485 2.323 2.591 0.091 5 0 "[ . 1 . 2]" 1
60 1 6 LYS HD3 1 7 GLY H . . 6.500 5.683 2.638 6.592 0.092 10 0 "[ . 1 . 2]" 1
61 1 6 LYS HE3 1 6 LYS HG2 . . 4.000 3.387 2.399 4.271 0.271 1 0 "[ . 1 . 2]" 1
62 1 6 LYS HG2 1 7 GLY H . . 6.500 4.675 4.045 5.530 . 0 0 "[ . 1 . 2]" 1
63 1 6 LYS HG3 1 7 GLY H . . 6.500 4.658 2.917 5.891 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLY H 1 8 ARG H . . 3.500 2.366 1.935 2.730 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLY H 1 9 CYS H . . 6.500 3.813 3.322 4.547 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLY HA2 1 8 ARG H . . 6.500 3.249 2.945 3.445 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLY HA2 1 9 CYS H . . 6.500 4.950 4.618 5.160 . 0 0 "[ . 1 . 2]" 1
68 1 8 ARG H 1 8 ARG HB2 . . 4.000 2.650 2.514 2.801 . 0 0 "[ . 1 . 2]" 1
69 1 8 ARG H 1 8 ARG HD2 . . 6.500 5.263 4.423 5.573 . 0 0 "[ . 1 . 2]" 1
70 1 8 ARG H 1 8 ARG HD3 . . 6.500 5.043 4.295 5.867 . 0 0 "[ . 1 . 2]" 1
71 1 8 ARG H 1 8 ARG HE . . 6.500 5.149 3.264 6.224 . 0 0 "[ . 1 . 2]" 1
72 1 8 ARG H 1 8 ARG HG2 . . 5.000 3.998 3.669 4.941 . 0 0 "[ . 1 . 2]" 1
73 1 8 ARG H 1 9 CYS H . . 3.000 2.126 2.013 2.247 . 0 0 "[ . 1 . 2]" 1
74 1 8 ARG H 1 10 THR H . . 6.500 6.332 4.888 6.562 0.062 13 0 "[ . 1 . 2]" 1
75 1 8 ARG HA 1 8 ARG HB3 . . 3.000 2.492 2.411 2.985 . 0 0 "[ . 1 . 2]" 1
76 1 8 ARG HA 1 8 ARG HE . . 6.500 4.203 2.615 5.571 . 0 0 "[ . 1 . 2]" 1
77 1 8 ARG HA 1 11 GLU HB2 . . 6.500 4.862 4.137 6.548 0.048 17 0 "[ . 1 . 2]" 1
78 1 8 ARG HA 1 11 GLU HG2 . . 6.500 4.399 3.978 5.189 . 0 0 "[ . 1 . 2]" 1
79 1 8 ARG HB2 1 8 ARG HD2 . . 4.000 3.447 2.408 3.806 . 0 0 "[ . 1 . 2]" 1
80 1 8 ARG HB2 1 8 ARG HE . . 5.000 3.165 2.282 4.153 . 0 0 "[ . 1 . 2]" 1
81 1 8 ARG HB2 1 8 ARG HG2 . . 3.000 3.014 2.400 3.060 0.060 13 0 "[ . 1 . 2]" 1
82 1 8 ARG HB2 1 9 CYS H . . 6.500 2.987 2.719 3.680 . 0 0 "[ . 1 . 2]" 1
83 1 8 ARG HB2 1 21 CYS QB . . 6.500 3.522 2.977 4.592 . 0 0 "[ . 1 . 2]" 1
84 1 8 ARG HB3 1 8 ARG HE . . 4.000 2.703 1.974 4.132 0.132 16 0 "[ . 1 . 2]" 1
85 1 8 ARG HB3 1 8 ARG HG2 . . 3.000 2.525 2.299 2.639 . 0 0 "[ . 1 . 2]" 1
86 1 8 ARG HB3 1 8 ARG HH11 . . 6.500 4.848 2.467 5.742 . 0 0 "[ . 1 . 2]" 1
87 1 8 ARG HB3 1 9 CYS H . . 6.500 3.780 2.867 3.974 . 0 0 "[ . 1 . 2]" 1
88 1 8 ARG HD2 1 9 CYS H . . 6.500 6.261 5.498 6.589 0.089 10 0 "[ . 1 . 2]" 1
89 1 8 ARG HD3 1 9 CYS H . . 6.500 5.939 5.219 6.637 0.137 11 0 "[ . 1 . 2]" 1
90 1 8 ARG HE 1 9 CYS H . . 6.500 5.665 4.901 6.531 0.031 18 0 "[ . 1 . 2]" 1
91 1 8 ARG HG2 1 9 CYS H . . 6.500 5.131 4.979 5.390 . 0 0 "[ . 1 . 2]" 1
92 1 9 CYS H 1 9 CYS HB3 . . 4.000 3.444 2.781 3.586 . 0 0 "[ . 1 . 2]" 1
93 1 9 CYS H 1 10 THR H . . 6.500 4.429 3.484 4.613 . 0 0 "[ . 1 . 2]" 1
94 1 9 CYS H 1 21 CYS QB . . 6.500 3.891 3.464 4.393 . 0 0 "[ . 1 . 2]" 1
95 1 9 CYS H 1 39 CYS HA . . 6.500 4.886 4.627 5.703 . 0 0 "[ . 1 . 2]" 1
96 1 9 CYS H 1 39 CYS HB2 . . 6.500 6.652 6.481 6.775 0.275 13 0 "[ . 1 . 2]" 1
97 1 9 CYS H 1 39 CYS HB3 . . 6.500 4.985 4.746 5.166 . 0 0 "[ . 1 . 2]" 1
98 1 9 CYS HA 1 21 CYS QB . . 5.000 2.528 1.969 3.259 . 0 0 "[ . 1 . 2]" 1
99 1 9 CYS HA 1 35 TYR QD . . 6.500 5.991 5.370 6.434 . 0 0 "[ . 1 . 2]" 1
100 1 9 CYS HA 1 39 CYS HB2 . . 6.500 5.055 4.295 5.720 . 0 0 "[ . 1 . 2]" 1
101 1 9 CYS HA 1 39 CYS HB3 . . 6.500 3.456 2.635 4.192 . 0 0 "[ . 1 . 2]" 1
102 1 9 CYS HB2 1 10 THR H . . 6.500 3.910 2.655 4.442 . 0 0 "[ . 1 . 2]" 1
103 1 9 CYS HB2 1 39 CYS HA . . 6.500 4.027 2.701 4.974 . 0 0 "[ . 1 . 2]" 1
104 1 9 CYS HB2 1 39 CYS HB2 . . 6.500 6.139 4.602 6.572 0.072 7 0 "[ . 1 . 2]" 1
105 1 9 CYS HB2 1 39 CYS HB3 . . 6.500 4.777 3.191 5.555 . 0 0 "[ . 1 . 2]" 1
106 1 9 CYS HB3 1 10 THR H . . 6.500 3.324 2.794 4.494 . 0 0 "[ . 1 . 2]" 1
107 1 9 CYS HB3 1 35 TYR QE . . 6.500 5.905 4.774 6.557 0.057 20 0 "[ . 1 . 2]" 1
108 1 9 CYS HB3 1 39 CYS HA . . 6.500 3.018 2.050 4.815 . 0 0 "[ . 1 . 2]" 1
109 1 9 CYS HB3 1 39 CYS HB2 . . 6.500 4.704 3.917 6.071 . 0 0 "[ . 1 . 2]" 1
110 1 9 CYS HB3 1 39 CYS HB3 . . 6.500 3.446 2.295 4.644 . 0 0 "[ . 1 . 2]" 1
111 1 10 THR H 1 11 GLU H . . 3.500 2.608 1.897 2.847 . 0 0 "[ . 1 . 2]" 1
112 1 10 THR H 1 22 ASP HB2 . . 6.500 4.746 3.977 5.613 . 0 0 "[ . 1 . 2]" 1
113 1 10 THR H 1 23 GLU HG3 . . 6.500 5.779 5.086 6.315 . 0 0 "[ . 1 . 2]" 1
114 1 10 THR HA 1 10 THR MG . . 2.500 2.274 2.233 2.370 . 0 0 "[ . 1 . 2]" 1
115 1 10 THR HA 1 23 GLU H . . 6.500 3.758 3.211 4.054 . 0 0 "[ . 1 . 2]" 1
116 1 10 THR HB 1 10 THR MG . . 2.500 2.163 2.125 2.174 . 0 0 "[ . 1 . 2]" 1
117 1 10 THR HB 1 11 GLU H . . 6.500 4.288 4.151 4.484 . 0 0 "[ . 1 . 2]" 1
118 1 10 THR MG 1 11 GLU H . . 6.500 4.380 4.281 4.479 . 0 0 "[ . 1 . 2]" 1
119 1 10 THR MG 1 23 GLU HG2 . . 6.500 3.043 2.598 3.513 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLU H 1 11 GLU HB2 . . 4.000 3.543 2.385 3.637 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLU H 1 11 GLU HG3 . . 5.000 3.144 2.860 3.552 . 0 0 "[ . 1 . 2]" 1
122 1 11 GLU H 1 12 GLY H . . 3.500 2.827 2.672 2.956 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLU HA 1 11 GLU HB2 . . 3.000 2.483 2.407 3.036 0.036 17 0 "[ . 1 . 2]" 1
124 1 11 GLU HB2 1 12 GLY H . . 4.000 4.005 2.989 4.135 0.135 20 0 "[ . 1 . 2]" 1
125 1 11 GLU HG3 1 12 GLY H . . 6.500 3.020 2.686 5.195 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLU HG3 1 21 CYS QB . . 4.000 3.980 2.286 4.448 0.448 8 0 "[ . 1 . 2]" 1
127 1 12 GLY H 1 22 ASP HA . . 6.500 3.810 3.396 4.149 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLY H 1 22 ASP HB3 . . 6.500 3.051 2.056 4.109 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLY H 1 23 GLU HG3 . . 5.000 5.061 5.020 5.105 0.105 6 0 "[ . 1 . 2]" 1
130 1 12 GLY HA2 1 13 PHE H . . 3.000 2.258 2.063 2.486 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLY HA2 1 22 ASP HB2 . . 6.500 3.398 2.558 5.034 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLY HA2 1 22 ASP HB3 . . 6.500 3.833 3.252 4.517 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLY HA2 1 23 GLU H . . 6.500 4.522 4.068 4.930 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLY HA3 1 13 PHE H . . 3.000 2.912 2.668 3.115 0.115 4 0 "[ . 1 . 2]" 1
135 1 12 GLY HA3 1 22 ASP HB2 . . 6.500 4.672 4.113 6.181 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLY HA3 1 22 ASP HB3 . . 6.500 4.946 4.372 5.745 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLY HA3 1 23 GLU H . . 6.500 6.224 5.743 6.552 0.052 9 0 "[ . 1 . 2]" 1
138 1 13 PHE H 1 13 PHE HB2 . . 4.000 2.695 2.227 3.158 . 0 0 "[ . 1 . 2]" 1
139 1 13 PHE H 1 13 PHE QD . . 5.000 4.080 3.848 4.206 . 0 0 "[ . 1 . 2]" 1
140 1 13 PHE H 1 22 ASP HB2 . . 6.500 3.956 3.248 4.960 . 0 0 "[ . 1 . 2]" 1
141 1 13 PHE H 1 22 ASP HB3 . . 6.500 4.093 3.231 4.650 . 0 0 "[ . 1 . 2]" 1
142 1 13 PHE H 1 24 LEU QD . . 6.500 3.933 2.810 4.356 . 0 0 "[ . 1 . 2]" 1
143 1 13 PHE HA 1 13 PHE QD . . 4.000 2.769 2.207 3.310 . 0 0 "[ . 1 . 2]" 1
144 1 13 PHE HA 1 14 ASN H . . 2.700 2.109 2.051 2.190 . 0 0 "[ . 1 . 2]" 1
145 1 13 PHE HA 1 20 GLN QE . . 6.500 5.020 4.619 6.005 . 0 0 "[ . 1 . 2]" 1
146 1 13 PHE HA 1 21 CYS H . . 6.500 5.675 5.234 6.116 . 0 0 "[ . 1 . 2]" 1
147 1 13 PHE HA 1 22 ASP HB2 . . 6.500 3.849 2.772 4.970 . 0 0 "[ . 1 . 2]" 1
148 1 13 PHE HA 1 22 ASP HB3 . . 6.500 3.473 2.493 4.401 . 0 0 "[ . 1 . 2]" 1
149 1 13 PHE HA 1 23 GLU H . . 6.500 5.838 5.225 6.518 0.018 7 0 "[ . 1 . 2]" 1
150 1 13 PHE HB2 1 13 PHE QD . . 3.000 2.520 2.377 2.754 . 0 0 "[ . 1 . 2]" 1
151 1 13 PHE HB2 1 14 ASN H . . 6.500 3.962 3.493 4.233 . 0 0 "[ . 1 . 2]" 1
152 1 13 PHE HB2 1 15 VAL H . . 6.500 6.052 5.779 6.499 . 0 0 "[ . 1 . 2]" 1
153 1 13 PHE HB2 1 15 VAL MG2 . . 6.500 6.534 5.745 6.606 0.106 18 0 "[ . 1 . 2]" 1
154 1 13 PHE HB2 1 24 LEU QD . . 6.500 2.739 2.372 3.487 . 0 0 "[ . 1 . 2]" 1
155 1 13 PHE HB3 1 13 PHE QD . . 3.000 2.366 2.289 2.530 . 0 0 "[ . 1 . 2]" 1
156 1 13 PHE HB3 1 14 ASN H . . 6.500 4.213 3.857 4.372 . 0 0 "[ . 1 . 2]" 1
157 1 13 PHE HB3 1 24 LEU QD . . 6.500 2.548 2.287 3.077 . 0 0 "[ . 1 . 2]" 1
158 1 13 PHE QD 1 14 ASN H . . 6.500 3.039 2.486 3.418 . 0 0 "[ . 1 . 2]" 1
159 1 13 PHE QD 1 15 VAL H . . 6.500 3.925 2.837 4.267 . 0 0 "[ . 1 . 2]" 1
160 1 13 PHE QD 1 15 VAL HA . . 5.000 4.319 3.625 4.801 . 0 0 "[ . 1 . 2]" 1
161 1 13 PHE QD 1 15 VAL HB . . 5.000 4.190 3.846 5.067 0.067 7 0 "[ . 1 . 2]" 1
162 1 13 PHE QD 1 15 VAL MG1 . . 5.000 4.981 4.114 5.094 0.094 10 0 "[ . 1 . 2]" 1
163 1 13 PHE QD 1 15 VAL MG2 . . 5.000 4.298 2.518 4.590 . 0 0 "[ . 1 . 2]" 1
164 1 13 PHE QD 1 16 ASP H . . 6.500 6.252 5.607 6.412 . 0 0 "[ . 1 . 2]" 1
165 1 13 PHE QD 1 20 GLN HA . . 6.500 4.433 3.776 4.776 . 0 0 "[ . 1 . 2]" 1
166 1 13 PHE QD 1 20 GLN HB2 . . 6.500 4.761 4.081 5.219 . 0 0 "[ . 1 . 2]" 1
167 1 13 PHE QD 1 20 GLN QE . . 6.500 4.653 4.114 5.093 . 0 0 "[ . 1 . 2]" 1
168 1 13 PHE QD 1 20 GLN HG3 . . 5.000 3.580 2.540 5.245 0.245 10 0 "[ . 1 . 2]" 1
169 1 13 PHE QD 1 21 CYS H . . 6.500 6.350 5.365 6.585 0.085 17 0 "[ . 1 . 2]" 1
170 1 13 PHE QD 1 22 ASP H . . 6.500 5.569 3.938 6.440 . 0 0 "[ . 1 . 2]" 1
171 1 13 PHE QD 1 22 ASP HB2 . . 6.500 5.244 3.726 6.207 . 0 0 "[ . 1 . 2]" 1
172 1 13 PHE QD 1 24 LEU HB2 . . 6.500 3.178 2.639 4.156 . 0 0 "[ . 1 . 2]" 1
173 1 13 PHE QD 1 24 LEU HB3 . . 6.500 4.236 3.898 5.020 . 0 0 "[ . 1 . 2]" 1
174 1 13 PHE QD 1 24 LEU QD . . 6.500 3.019 2.513 3.891 . 0 0 "[ . 1 . 2]" 1
175 1 13 PHE QD 1 25 CYS H . . 6.500 4.608 3.334 5.989 . 0 0 "[ . 1 . 2]" 1
176 1 13 PHE QD 1 25 CYS HA . . 6.500 4.098 2.797 5.076 . 0 0 "[ . 1 . 2]" 1
177 1 13 PHE QD 1 27 TYR QD . . 6.500 5.730 5.155 6.030 . 0 0 "[ . 1 . 2]" 1
178 1 13 PHE QD 1 27 TYR HE2 . . 6.500 6.235 4.628 6.608 0.108 18 0 "[ . 1 . 2]" 1
179 1 13 PHE QD 1 28 TYR HD2 . . 6.500 4.156 3.548 4.813 . 0 0 "[ . 1 . 2]" 1
180 1 13 PHE QD 1 28 TYR HE2 . . 6.500 4.051 3.411 4.604 . 0 0 "[ . 1 . 2]" 1
181 1 13 PHE QE 1 14 ASN H . . 6.500 4.279 4.110 4.452 . 0 0 "[ . 1 . 2]" 1
182 1 13 PHE QE 1 15 VAL H . . 6.500 3.365 3.115 3.767 . 0 0 "[ . 1 . 2]" 1
183 1 13 PHE QE 1 15 VAL HA . . 5.000 3.368 2.287 3.833 . 0 0 "[ . 1 . 2]" 1
184 1 13 PHE QE 1 15 VAL HB . . 5.000 2.458 2.204 4.147 . 0 0 "[ . 1 . 2]" 1
185 1 13 PHE QE 1 15 VAL MG1 . . 5.000 3.548 2.208 3.799 . 0 0 "[ . 1 . 2]" 1
186 1 13 PHE QE 1 15 VAL MG2 . . 5.000 2.677 2.071 3.019 . 0 0 "[ . 1 . 2]" 1
187 1 13 PHE QE 1 16 ASP H . . 6.500 5.675 5.434 5.809 . 0 0 "[ . 1 . 2]" 1
188 1 13 PHE QE 1 20 GLN HB2 . . 6.500 5.071 3.083 5.710 . 0 0 "[ . 1 . 2]" 1
189 1 13 PHE QE 1 20 GLN QE . . 6.500 4.617 3.581 5.030 . 0 0 "[ . 1 . 2]" 1
190 1 13 PHE QE 1 20 GLN HG3 . . 6.500 3.355 2.312 5.231 . 0 0 "[ . 1 . 2]" 1
191 1 13 PHE QE 1 24 LEU HB3 . . 6.500 4.740 3.890 5.567 . 0 0 "[ . 1 . 2]" 1
192 1 13 PHE QE 1 24 LEU QD . . 6.500 4.029 3.513 5.212 . 0 0 "[ . 1 . 2]" 1
193 1 13 PHE QE 1 25 CYS HA . . 6.500 4.143 2.075 5.261 . 0 0 "[ . 1 . 2]" 1
194 1 13 PHE QE 1 25 CYS QB . . 6.500 5.037 3.013 5.878 . 0 0 "[ . 1 . 2]" 1
195 1 13 PHE QE 1 27 TYR QD . . 6.500 5.078 4.735 5.401 . 0 0 "[ . 1 . 2]" 1
196 1 13 PHE QE 1 27 TYR HE2 . . 6.500 5.109 3.520 5.936 . 0 0 "[ . 1 . 2]" 1
197 1 13 PHE QE 1 28 TYR HE2 . . 6.500 3.233 2.958 3.935 . 0 0 "[ . 1 . 2]" 1
198 1 13 PHE QE 1 30 SER HB3 . . 6.500 5.861 4.162 6.541 0.041 1 0 "[ . 1 . 2]" 1
199 1 14 ASN H 1 14 ASN HD22 . . 6.500 6.349 5.781 6.471 . 0 0 "[ . 1 . 2]" 1
200 1 14 ASN H 1 15 VAL H . . 6.500 3.522 3.246 3.893 . 0 0 "[ . 1 . 2]" 1
201 1 14 ASN H 1 20 GLN HA . . 6.500 4.179 3.609 4.665 . 0 0 "[ . 1 . 2]" 1
202 1 14 ASN H 1 20 GLN QE . . 6.500 3.475 3.089 4.762 . 0 0 "[ . 1 . 2]" 1
203 1 14 ASN H 1 20 GLN HG2 . . 6.500 5.173 3.540 5.732 . 0 0 "[ . 1 . 2]" 1
204 1 14 ASN HA 1 15 VAL H . . 2.500 2.218 2.134 2.357 . 0 0 "[ . 1 . 2]" 1
205 1 14 ASN HA 1 17 LYS HE3 . . 6.500 5.449 4.205 6.527 0.027 3 0 "[ . 1 . 2]" 1
206 1 14 ASN HA 1 20 GLN QE . . 6.500 4.778 4.551 5.872 . 0 0 "[ . 1 . 2]" 1
207 1 14 ASN HB2 1 15 VAL H . . 6.500 4.529 4.403 4.683 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASN HB2 1 17 LYS H . . 6.500 5.216 4.541 5.421 . 0 0 "[ . 1 . 2]" 1
209 1 14 ASN HB2 1 17 LYS HB3 . . 6.500 6.517 5.114 6.867 0.367 20 0 "[ . 1 . 2]" 1
210 1 14 ASN HB2 1 17 LYS QG . . 6.500 3.958 3.616 4.252 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASN HB3 1 15 VAL H . . 6.500 4.488 4.257 4.545 . 0 0 "[ . 1 . 2]" 1
212 1 14 ASN HB3 1 16 ASP H . . 6.500 4.302 3.579 4.516 . 0 0 "[ . 1 . 2]" 1
213 1 14 ASN HB3 1 17 LYS H . . 6.500 3.782 3.304 3.944 . 0 0 "[ . 1 . 2]" 1
214 1 14 ASN HB3 1 17 LYS HB3 . . 6.500 4.832 3.649 5.097 . 0 0 "[ . 1 . 2]" 1
215 1 14 ASN HB3 1 17 LYS HE2 . . 6.500 3.658 2.259 5.052 . 0 0 "[ . 1 . 2]" 1
216 1 14 ASN HB3 1 17 LYS QG . . 6.500 2.439 2.185 2.763 . 0 0 "[ . 1 . 2]" 1
217 1 14 ASN HD21 1 16 ASP H . . 6.500 5.140 3.642 5.784 . 0 0 "[ . 1 . 2]" 1
218 1 14 ASN HD21 1 16 ASP HB2 . . 6.500 5.750 4.324 6.519 0.019 17 0 "[ . 1 . 2]" 1
219 1 14 ASN HD21 1 17 LYS HD2 . . 6.500 4.885 4.208 6.006 . 0 0 "[ . 1 . 2]" 1
220 1 14 ASN HD21 1 17 LYS HE2 . . 6.500 3.921 2.637 4.856 . 0 0 "[ . 1 . 2]" 1
221 1 14 ASN HD21 1 17 LYS HE3 . . 6.500 3.386 2.497 5.652 . 0 0 "[ . 1 . 2]" 1
222 1 14 ASN HD21 1 17 LYS QG . . 6.500 3.394 2.944 4.371 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASN HD22 1 15 VAL H . . 6.500 5.869 5.421 6.251 . 0 0 "[ . 1 . 2]" 1
224 1 14 ASN HD22 1 16 ASP H . . 6.500 4.498 3.848 5.382 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASN HD22 1 16 ASP HB3 . . 6.500 3.627 2.483 5.933 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASN HD22 1 17 LYS HE2 . . 6.500 4.756 2.506 6.336 . 0 0 "[ . 1 . 2]" 1
227 1 14 ASN HD22 1 17 LYS HE3 . . 6.500 4.421 3.000 6.210 . 0 0 "[ . 1 . 2]" 1
228 1 14 ASN HD22 1 17 LYS QG . . 6.500 3.814 3.310 4.833 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL H 1 15 VAL HB . . 3.000 2.269 2.137 2.971 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL H 1 16 ASP H . . 3.500 2.966 2.731 3.083 . 0 0 "[ . 1 . 2]" 1
231 1 15 VAL H 1 17 LYS H . . 6.500 4.560 4.446 4.666 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL HA 1 15 VAL HB . . 3.000 2.532 2.428 3.000 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL HA 1 15 VAL MG2 . . 3.000 2.231 2.155 2.760 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL HA 1 17 LYS H . . 6.500 3.692 3.528 4.268 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL HA 1 20 GLN QE . . 6.500 2.413 2.255 2.799 . 0 0 "[ . 1 . 2]" 1
236 1 15 VAL HB 1 16 ASP H . . 6.500 4.188 3.187 4.336 . 0 0 "[ . 1 . 2]" 1
237 1 15 VAL MG1 1 15 VAL MG2 . . 2.500 2.118 2.037 2.140 . 0 0 "[ . 1 . 2]" 1
238 1 15 VAL MG1 1 16 ASP H . . 5.000 3.102 2.852 4.203 . 0 0 "[ . 1 . 2]" 1
239 1 15 VAL MG1 1 17 LYS H . . 6.500 4.895 4.711 5.204 . 0 0 "[ . 1 . 2]" 1
240 1 15 VAL MG1 1 27 TYR HE2 . . 6.500 6.688 6.646 6.753 0.253 9 0 "[ . 1 . 2]" 1
241 1 15 VAL MG2 1 16 ASP H . . 6.500 4.303 3.820 4.400 . 0 0 "[ . 1 . 2]" 1
242 1 15 VAL MG2 1 17 LYS H . . 6.500 5.035 4.879 5.480 . 0 0 "[ . 1 . 2]" 1
243 1 15 VAL MG2 1 27 TYR QD . . 6.500 6.140 5.317 6.528 0.028 7 0 "[ . 1 . 2]" 1
244 1 15 VAL MG2 1 27 TYR HE2 . . 6.500 6.208 5.241 6.709 0.209 4 0 "[ . 1 . 2]" 1
245 1 15 VAL MG2 1 30 SER HB2 . . 6.500 3.729 3.021 6.554 0.054 7 0 "[ . 1 . 2]" 1
246 1 16 ASP H 1 16 ASP HB3 . . 4.000 2.591 2.378 3.592 . 0 0 "[ . 1 . 2]" 1
247 1 16 ASP H 1 17 LYS H . . 3.000 2.607 2.502 2.701 . 0 0 "[ . 1 . 2]" 1
248 1 16 ASP H 1 20 GLN QE . . 6.500 3.859 3.711 4.370 . 0 0 "[ . 1 . 2]" 1
249 1 16 ASP HA 1 16 ASP HB2 . . 3.000 2.546 2.428 3.031 0.031 2 0 "[ . 1 . 2]" 1
250 1 16 ASP HA 1 16 ASP HB3 . . 3.000 2.955 2.458 3.035 0.035 5 0 "[ . 1 . 2]" 1
251 1 16 ASP HB2 1 17 LYS H . . 6.500 4.086 3.296 4.335 . 0 0 "[ . 1 . 2]" 1
252 1 16 ASP HB2 1 17 LYS QG . . 6.500 4.940 3.979 5.836 . 0 0 "[ . 1 . 2]" 1
253 1 16 ASP HB3 1 17 LYS H . . 6.500 3.252 2.925 4.415 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS H 1 17 LYS HD2 . . 6.500 4.426 3.716 5.366 . 0 0 "[ . 1 . 2]" 1
255 1 17 LYS H 1 17 LYS HD3 . . 6.500 4.542 3.323 5.332 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS H 1 19 CYS H . . 6.500 5.348 4.762 6.019 . 0 0 "[ . 1 . 2]" 1
257 1 17 LYS H 1 20 GLN QE . . 6.500 2.486 2.209 3.796 . 0 0 "[ . 1 . 2]" 1
258 1 17 LYS HA 1 18 LYS H . . 2.700 2.280 2.192 2.524 . 0 0 "[ . 1 . 2]" 1
259 1 17 LYS HA 1 19 CYS H . . 6.500 4.270 4.067 4.779 . 0 0 "[ . 1 . 2]" 1
260 1 17 LYS HB2 1 19 CYS H . . 5.000 3.500 3.240 4.216 . 0 0 "[ . 1 . 2]" 1
261 1 17 LYS HB2 1 20 GLN QE . . 6.500 2.430 1.956 5.693 . 0 0 "[ . 1 . 2]" 1
262 1 17 LYS HD3 1 19 CYS H . . 6.500 5.352 4.480 6.701 0.201 11 0 "[ . 1 . 2]" 1
263 1 17 LYS QG 1 19 CYS H . . 6.500 4.729 3.247 5.159 . 0 0 "[ . 1 . 2]" 1
264 1 18 LYS H 1 18 LYS HB2 . . 4.000 2.314 2.191 2.537 . 0 0 "[ . 1 . 2]" 1
265 1 18 LYS H 1 18 LYS HD2 . . 6.500 3.279 2.420 4.665 . 0 0 "[ . 1 . 2]" 1
266 1 18 LYS H 1 19 CYS H . . 3.500 2.771 2.495 2.963 . 0 0 "[ . 1 . 2]" 1
267 1 18 LYS HA 1 18 LYS HB3 . . 3.000 2.792 2.639 3.041 0.041 8 0 "[ . 1 . 2]" 1
268 1 18 LYS HA 1 18 LYS HD2 . . 5.000 2.483 2.091 2.786 . 0 0 "[ . 1 . 2]" 1
269 1 18 LYS HA 1 18 LYS HE3 . . 5.000 4.503 4.030 4.986 . 0 0 "[ . 1 . 2]" 1
270 1 18 LYS HA 1 20 GLN QE . . 6.500 4.554 3.924 4.910 . 0 0 "[ . 1 . 2]" 1
271 1 18 LYS HB2 1 18 LYS HD2 . . 3.000 3.074 3.048 3.098 0.098 11 0 "[ . 1 . 2]" 1
272 1 18 LYS HB3 1 19 CYS H . . 6.500 3.507 2.932 4.021 . 0 0 "[ . 1 . 2]" 1
273 1 18 LYS HD2 1 20 GLN QE . . 6.500 5.871 5.108 6.276 . 0 0 "[ . 1 . 2]" 1
274 1 18 LYS HG2 1 19 CYS H . . 6.500 5.399 4.987 5.776 . 0 0 "[ . 1 . 2]" 1
275 1 19 CYS H 1 20 GLN QE . . 6.500 3.909 3.414 5.599 . 0 0 "[ . 1 . 2]" 1
276 1 19 CYS HA 1 20 GLN H . . 2.700 2.178 2.091 2.345 . 0 0 "[ . 1 . 2]" 1
277 1 19 CYS HA 1 31 CYS H . . 6.500 6.203 5.584 6.589 0.089 18 0 "[ . 1 . 2]" 1
278 1 19 CYS HA 1 31 CYS HB3 . . 6.500 6.497 5.877 6.614 0.114 9 0 "[ . 1 . 2]" 1
279 1 19 CYS HA 1 32 CYS H . . 6.500 4.413 3.514 4.949 . 0 0 "[ . 1 . 2]" 1
280 1 19 CYS HB2 1 20 GLN H . . 5.000 3.212 2.423 4.420 . 0 0 "[ . 1 . 2]" 1
281 1 19 CYS HB2 1 32 CYS H . . 5.000 3.780 3.296 4.865 . 0 0 "[ . 1 . 2]" 1
282 1 19 CYS HB2 1 32 CYS HA . . 6.500 2.974 2.234 3.635 . 0 0 "[ . 1 . 2]" 1
283 1 19 CYS HB2 1 32 CYS HB2 . . 6.500 4.438 2.764 5.475 . 0 0 "[ . 1 . 2]" 1
284 1 19 CYS HB2 1 33 THR H . . 6.500 4.859 4.199 5.781 . 0 0 "[ . 1 . 2]" 1
285 1 19 CYS HB3 1 20 GLN H . . 5.000 4.104 3.849 4.468 . 0 0 "[ . 1 . 2]" 1
286 1 19 CYS HB3 1 32 CYS H . . 5.000 5.042 4.872 5.195 0.195 10 0 "[ . 1 . 2]" 1
287 1 19 CYS HB3 1 32 CYS HA . . 6.500 3.863 3.016 4.865 . 0 0 "[ . 1 . 2]" 1
288 1 19 CYS HB3 1 33 THR H . . 6.500 5.422 4.072 6.590 0.090 1 0 "[ . 1 . 2]" 1
289 1 20 GLN H 1 20 GLN HG2 . . 5.000 3.219 2.553 4.440 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLN H 1 20 GLN HG3 . . 5.000 4.082 2.634 4.404 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLN H 1 21 CYS H . . 6.500 3.466 3.193 3.712 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLN H 1 25 CYS QB . . 6.500 3.998 3.776 4.258 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLN H 1 30 SER HB3 . . 6.500 5.250 3.579 6.515 0.015 12 0 "[ . 1 . 2]" 1
294 1 20 GLN H 1 31 CYS H . . 6.500 4.869 4.511 5.223 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLN H 1 31 CYS HA . . 6.500 2.834 2.310 3.110 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLN H 1 31 CYS HB3 . . 6.500 5.195 4.876 5.491 . 0 0 "[ . 1 . 2]" 1
297 1 20 GLN H 1 32 CYS H . . 6.500 3.479 2.929 3.972 . 0 0 "[ . 1 . 2]" 1
298 1 20 GLN HA 1 21 CYS H . . 2.700 2.343 2.218 2.524 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLN HA 1 22 ASP H . . 6.500 3.870 3.509 4.020 . 0 0 "[ . 1 . 2]" 1
300 1 20 GLN HA 1 32 CYS H . . 6.500 5.463 4.982 5.971 . 0 0 "[ . 1 . 2]" 1
301 1 20 GLN HB2 1 20 GLN HG3 . . 3.000 2.676 2.441 3.071 0.071 4 0 "[ . 1 . 2]" 1
302 1 20 GLN HB2 1 21 CYS H . . 6.500 4.482 4.427 4.543 . 0 0 "[ . 1 . 2]" 1
303 1 20 GLN HB2 1 22 ASP H . . 6.500 4.421 4.244 4.699 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLN HB2 1 25 CYS H . . 6.500 4.856 4.433 5.343 . 0 0 "[ . 1 . 2]" 1
305 1 20 GLN HB2 1 25 CYS HA . . 6.500 3.405 2.779 4.144 . 0 0 "[ . 1 . 2]" 1
306 1 20 GLN HB2 1 25 CYS QB . . 5.000 2.164 2.017 2.568 . 0 0 "[ . 1 . 2]" 1
307 1 20 GLN HB2 1 30 SER HB2 . . 6.500 3.597 3.168 4.529 . 0 0 "[ . 1 . 2]" 1
308 1 20 GLN HB2 1 31 CYS HA . . 6.500 2.480 2.157 2.775 . 0 0 "[ . 1 . 2]" 1
309 1 20 GLN HB2 1 35 TYR HB2 . . 6.500 6.613 6.533 6.686 0.186 17 0 "[ . 1 . 2]" 1
310 1 20 GLN HB2 1 35 TYR QD . . 6.500 5.963 5.540 6.254 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLN QE 1 21 CYS H . . 6.500 5.005 4.585 6.327 . 0 0 "[ . 1 . 2]" 1
312 1 20 GLN QE 1 30 SER HB2 . . 5.000 4.185 2.864 4.602 . 0 0 "[ . 1 . 2]" 1
313 1 20 GLN HG2 1 21 CYS H . . 6.500 5.292 4.427 5.934 . 0 0 "[ . 1 . 2]" 1
314 1 20 GLN HG2 1 25 CYS HA . . 6.500 4.611 3.471 5.616 . 0 0 "[ . 1 . 2]" 1
315 1 20 GLN HG2 1 30 SER HB3 . . 6.500 3.641 2.401 4.796 . 0 0 "[ . 1 . 2]" 1
316 1 20 GLN HG3 1 21 CYS H . . 6.500 5.554 4.638 5.988 . 0 0 "[ . 1 . 2]" 1
317 1 20 GLN HG3 1 22 ASP H . . 6.500 5.984 5.441 6.402 . 0 0 "[ . 1 . 2]" 1
318 1 20 GLN HG3 1 25 CYS QB . . 6.500 3.916 3.588 4.344 . 0 0 "[ . 1 . 2]" 1
319 1 20 GLN HG3 1 30 SER HG . . 6.500 3.930 2.191 6.813 0.313 11 0 "[ . 1 . 2]" 1
320 1 20 GLN HG3 1 32 CYS H . . 6.500 6.874 5.826 7.316 0.816 14 8 "[*-* . 1 +* * **]" 1
321 1 21 CYS H 1 22 ASP H . . 3.500 3.463 3.332 3.575 0.075 15 0 "[ . 1 . 2]" 1
322 1 21 CYS H 1 25 CYS QB . . 6.500 4.863 4.681 5.038 . 0 0 "[ . 1 . 2]" 1
323 1 21 CYS H 1 35 TYR QD . . 6.500 5.663 5.317 5.878 . 0 0 "[ . 1 . 2]" 1
324 1 21 CYS HA 1 35 TYR HA . . 6.500 5.246 4.915 5.511 . 0 0 "[ . 1 . 2]" 1
325 1 21 CYS HA 1 35 TYR QD . . 3.000 3.037 2.923 3.111 0.111 15 0 "[ . 1 . 2]" 1
326 1 21 CYS QB 1 35 TYR HA . . 6.500 6.174 5.855 6.293 . 0 0 "[ . 1 . 2]" 1
327 1 21 CYS QB 1 35 TYR QD . . 6.500 4.780 4.539 4.923 . 0 0 "[ . 1 . 2]" 1
328 1 22 ASP H 1 23 GLU H . . 6.500 4.420 4.384 4.444 . 0 0 "[ . 1 . 2]" 1
329 1 22 ASP H 1 25 CYS H . . 6.500 4.027 3.903 4.128 . 0 0 "[ . 1 . 2]" 1
330 1 22 ASP H 1 25 CYS QB . . 6.500 2.940 2.682 3.272 . 0 0 "[ . 1 . 2]" 1
331 1 22 ASP H 1 35 TYR QD . . 6.500 4.030 3.813 4.377 . 0 0 "[ . 1 . 2]" 1
332 1 22 ASP HA 1 22 ASP HB3 . . 3.000 2.718 2.412 3.054 0.054 4 0 "[ . 1 . 2]" 1
333 1 22 ASP HA 1 23 GLU H . . 2.700 2.470 2.361 2.550 . 0 0 "[ . 1 . 2]" 1
334 1 22 ASP HA 1 24 LEU H . . 6.500 4.607 4.425 4.760 . 0 0 "[ . 1 . 2]" 1
335 1 22 ASP HA 1 35 TYR QE . . 6.500 3.936 3.372 4.631 . 0 0 "[ . 1 . 2]" 1
336 1 22 ASP HB2 1 24 LEU H . . 6.500 4.124 3.200 5.070 . 0 0 "[ . 1 . 2]" 1
337 1 22 ASP HB2 1 25 CYS H . . 6.500 5.347 4.075 6.038 . 0 0 "[ . 1 . 2]" 1
338 1 22 ASP HB3 1 23 GLU H . . 4.000 3.473 2.145 3.702 . 0 0 "[ . 1 . 2]" 1
339 1 22 ASP HB3 1 24 LEU H . . 6.500 4.180 3.367 4.924 . 0 0 "[ . 1 . 2]" 1
340 1 22 ASP HB3 1 24 LEU QD . . 6.500 5.586 4.933 6.307 . 0 0 "[ . 1 . 2]" 1
341 1 23 GLU H 1 23 GLU HB2 . . 3.000 2.608 2.535 2.711 . 0 0 "[ . 1 . 2]" 1
342 1 23 GLU H 1 23 GLU HG2 . . 3.000 2.918 2.696 3.032 0.032 13 0 "[ . 1 . 2]" 1
343 1 23 GLU H 1 23 GLU HG3 . . 3.000 1.905 1.813 2.014 . 0 0 "[ . 1 . 2]" 1
344 1 23 GLU H 1 24 LEU H . . 3.500 3.036 2.912 3.223 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLU H 1 24 LEU QD . . 6.500 4.791 4.615 4.989 . 0 0 "[ . 1 . 2]" 1
346 1 23 GLU H 1 25 CYS H . . 6.500 4.663 4.542 4.975 . 0 0 "[ . 1 . 2]" 1
347 1 23 GLU H 1 35 TYR QE . . 6.500 5.006 4.445 5.586 . 0 0 "[ . 1 . 2]" 1
348 1 23 GLU HA 1 25 CYS H . . 6.500 4.202 4.015 4.463 . 0 0 "[ . 1 . 2]" 1
349 1 23 GLU HA 1 26 SER H . . 6.500 5.550 4.851 5.976 . 0 0 "[ . 1 . 2]" 1
350 1 23 GLU HA 1 35 TYR QE . . 6.500 4.258 3.856 4.766 . 0 0 "[ . 1 . 2]" 1
351 1 23 GLU HB2 1 24 LEU H . . 6.500 3.153 2.732 3.499 . 0 0 "[ . 1 . 2]" 1
352 1 23 GLU HB2 1 24 LEU QD . . 6.500 3.354 3.147 3.646 . 0 0 "[ . 1 . 2]" 1
353 1 23 GLU HB2 1 25 CYS H . . 6.500 5.273 5.030 5.568 . 0 0 "[ . 1 . 2]" 1
354 1 23 GLU HB3 1 24 LEU H . . 6.500 4.112 3.852 4.336 . 0 0 "[ . 1 . 2]" 1
355 1 23 GLU HB3 1 25 CYS H . . 6.500 5.653 5.416 5.910 . 0 0 "[ . 1 . 2]" 1
356 1 23 GLU HG2 1 24 LEU H . . 6.500 5.142 4.938 5.271 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU H 1 24 LEU HG . . 5.000 2.712 2.389 2.995 . 0 0 "[ . 1 . 2]" 1
358 1 24 LEU H 1 25 CYS H . . 3.500 2.461 2.092 2.787 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU H 1 26 SER H . . 6.500 4.991 4.637 5.344 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU H 1 27 TYR QD . . 6.500 6.458 6.018 6.541 0.041 15 0 "[ . 1 . 2]" 1
361 1 24 LEU H 1 28 TYR HD2 . . 6.500 5.923 5.040 7.022 0.522 17 1 "[ . 1 . + 2]" 1
362 1 24 LEU H 1 28 TYR HE2 . . 6.500 6.269 4.751 6.585 0.085 2 0 "[ . 1 . 2]" 1
363 1 24 LEU HA 1 24 LEU HB3 . . 2.500 2.468 2.430 2.502 0.002 15 0 "[ . 1 . 2]" 1
364 1 24 LEU HA 1 24 LEU QD . . 3.000 2.136 2.104 2.188 . 0 0 "[ . 1 . 2]" 1
365 1 24 LEU HA 1 27 TYR H . . 6.500 3.922 3.627 4.060 . 0 0 "[ . 1 . 2]" 1
366 1 24 LEU HA 1 27 TYR HB2 . . 6.500 4.799 4.456 5.043 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU HA 1 27 TYR QD . . 5.000 4.482 4.388 4.561 . 0 0 "[ . 1 . 2]" 1
368 1 24 LEU HA 1 27 TYR HE2 . . 6.500 6.741 6.700 6.805 0.305 7 0 "[ . 1 . 2]" 1
369 1 24 LEU HA 1 28 TYR HD2 . . 6.500 5.020 4.210 6.128 . 0 0 "[ . 1 . 2]" 1
370 1 24 LEU HA 1 28 TYR HE2 . . 6.500 5.408 4.625 5.699 . 0 0 "[ . 1 . 2]" 1
371 1 24 LEU HB2 1 25 CYS H . . 6.500 3.610 3.421 3.773 . 0 0 "[ . 1 . 2]" 1
372 1 24 LEU HB2 1 27 TYR HB3 . . 6.500 5.144 4.705 5.365 . 0 0 "[ . 1 . 2]" 1
373 1 24 LEU HB2 1 27 TYR QD . . 6.500 4.636 3.903 4.856 . 0 0 "[ . 1 . 2]" 1
374 1 24 LEU HB2 1 27 TYR HE2 . . 6.500 6.242 5.415 6.472 . 0 0 "[ . 1 . 2]" 1
375 1 24 LEU HB2 1 28 TYR HD2 . . 6.500 4.113 3.059 4.736 . 0 0 "[ . 1 . 2]" 1
376 1 24 LEU HB2 1 28 TYR HE2 . . 5.000 3.902 2.374 4.294 . 0 0 "[ . 1 . 2]" 1
377 1 24 LEU HB3 1 25 CYS H . . 6.500 4.310 4.198 4.393 . 0 0 "[ . 1 . 2]" 1
378 1 24 LEU HB3 1 27 TYR H . . 6.500 4.684 4.235 4.936 . 0 0 "[ . 1 . 2]" 1
379 1 24 LEU HB3 1 27 TYR HB3 . . 5.000 3.669 3.198 3.901 . 0 0 "[ . 1 . 2]" 1
380 1 24 LEU HB3 1 27 TYR QD . . 6.500 3.096 2.574 3.337 . 0 0 "[ . 1 . 2]" 1
381 1 24 LEU HB3 1 27 TYR HE2 . . 6.500 4.864 4.456 5.025 . 0 0 "[ . 1 . 2]" 1
382 1 24 LEU HB3 1 28 TYR HD2 . . 5.000 3.496 2.544 4.145 . 0 0 "[ . 1 . 2]" 1
383 1 24 LEU HB3 1 28 TYR HE2 . . 5.000 3.145 2.518 3.447 . 0 0 "[ . 1 . 2]" 1
384 1 24 LEU MD1 1 24 LEU MD2 . . 3.000 2.062 2.055 2.073 . 0 0 "[ . 1 . 2]" 1
385 1 24 LEU QD 1 25 CYS H . . 6.500 4.465 4.415 4.531 . 0 0 "[ . 1 . 2]" 1
386 1 24 LEU QD 1 26 SER H . . 6.500 5.288 5.115 5.440 . 0 0 "[ . 1 . 2]" 1
387 1 24 LEU QD 1 27 TYR H . . 6.500 4.850 4.729 4.939 . 0 0 "[ . 1 . 2]" 1
388 1 24 LEU QD 1 27 TYR HA . . 6.500 6.134 5.953 6.232 . 0 0 "[ . 1 . 2]" 1
389 1 24 LEU QD 1 27 TYR HB2 . . 6.500 4.581 4.377 4.779 . 0 0 "[ . 1 . 2]" 1
390 1 24 LEU QD 1 27 TYR QD . . 5.000 3.536 3.272 3.816 . 0 0 "[ . 1 . 2]" 1
391 1 24 LEU QD 1 27 TYR HE2 . . 6.500 4.320 3.867 4.672 . 0 0 "[ . 1 . 2]" 1
392 1 24 LEU QD 1 28 TYR H . . 6.500 5.760 5.039 6.022 . 0 0 "[ . 1 . 2]" 1
393 1 24 LEU QD 1 28 TYR HD2 . . 6.500 4.387 3.708 4.650 . 0 0 "[ . 1 . 2]" 1
394 1 24 LEU QD 1 28 TYR HE2 . . 4.000 3.363 2.490 3.766 . 0 0 "[ . 1 . 2]" 1
395 1 24 LEU HG 1 25 CYS H . . 6.500 4.847 4.770 4.951 . 0 0 "[ . 1 . 2]" 1
396 1 24 LEU HG 1 27 TYR QD . . 6.500 5.956 5.471 6.224 . 0 0 "[ . 1 . 2]" 1
397 1 24 LEU HG 1 28 TYR HD2 . . 6.500 6.321 5.289 6.801 0.301 17 0 "[ . 1 . 2]" 1
398 1 24 LEU HG 1 28 TYR HE2 . . 6.500 5.723 4.559 6.207 . 0 0 "[ . 1 . 2]" 1
399 1 25 CYS H 1 26 SER H . . 3.500 2.971 2.858 3.104 . 0 0 "[ . 1 . 2]" 1
400 1 25 CYS H 1 27 TYR H . . 6.500 4.577 4.391 4.756 . 0 0 "[ . 1 . 2]" 1
401 1 25 CYS H 1 28 TYR HD2 . . 6.500 5.162 4.423 6.672 0.172 9 0 "[ . 1 . 2]" 1
402 1 25 CYS H 1 28 TYR HE2 . . 6.500 6.380 4.988 6.627 0.127 6 0 "[ . 1 . 2]" 1
403 1 25 CYS HA 1 27 TYR H . . 6.500 4.074 3.605 4.495 . 0 0 "[ . 1 . 2]" 1
404 1 25 CYS HA 1 28 TYR H . . 6.500 3.443 3.048 3.694 . 0 0 "[ . 1 . 2]" 1
405 1 25 CYS HA 1 28 TYR HB2 . . 6.500 3.209 2.328 5.696 . 0 0 "[ . 1 . 2]" 1
406 1 25 CYS HA 1 28 TYR HB3 . . 6.500 4.722 3.936 5.804 . 0 0 "[ . 1 . 2]" 1
407 1 25 CYS HA 1 28 TYR HD2 . . 6.500 3.438 2.962 4.974 . 0 0 "[ . 1 . 2]" 1
408 1 25 CYS HA 1 28 TYR HE2 . . 6.500 5.332 4.079 5.761 . 0 0 "[ . 1 . 2]" 1
409 1 25 CYS HA 1 30 SER H . . 6.500 3.853 3.288 4.563 . 0 0 "[ . 1 . 2]" 1
410 1 25 CYS HA 1 30 SER HB2 . . 6.500 4.868 3.877 6.083 . 0 0 "[ . 1 . 2]" 1
411 1 25 CYS HA 1 31 CYS H . . 6.500 4.689 4.364 5.266 . 0 0 "[ . 1 . 2]" 1
412 1 25 CYS QB 1 26 SER H . . 6.500 3.599 3.499 3.799 . 0 0 "[ . 1 . 2]" 1
413 1 25 CYS QB 1 28 TYR HD2 . . 6.500 5.077 4.626 6.365 . 0 0 "[ . 1 . 2]" 1
414 1 25 CYS QB 1 30 SER H . . 6.500 3.564 3.074 4.367 . 0 0 "[ . 1 . 2]" 1
415 1 25 CYS QB 1 30 SER HB2 . . 6.500 4.462 4.012 5.167 . 0 0 "[ . 1 . 2]" 1
416 1 25 CYS QB 1 30 SER HG . . 6.500 5.112 3.518 6.264 . 0 0 "[ . 1 . 2]" 1
417 1 25 CYS QB 1 31 CYS H . . 6.500 3.050 2.769 3.389 . 0 0 "[ . 1 . 2]" 1
418 1 25 CYS QB 1 31 CYS HA . . 5.000 2.373 2.069 2.878 . 0 0 "[ . 1 . 2]" 1
419 1 25 CYS QB 1 32 CYS H . . 6.500 4.237 3.762 4.575 . 0 0 "[ . 1 . 2]" 1
420 1 25 CYS QB 1 35 TYR QD . . 6.500 4.438 3.900 4.775 . 0 0 "[ . 1 . 2]" 1
421 1 25 CYS QB 1 35 TYR QE . . 6.500 4.119 3.178 4.743 . 0 0 "[ . 1 . 2]" 1
422 1 26 SER H 1 26 SER HB3 . . 4.000 2.727 2.489 3.598 . 0 0 "[ . 1 . 2]" 1
423 1 26 SER H 1 27 TYR H . . 3.500 2.706 2.598 2.855 . 0 0 "[ . 1 . 2]" 1
424 1 26 SER H 1 27 TYR QD . . 6.500 5.973 5.764 6.200 . 0 0 "[ . 1 . 2]" 1
425 1 26 SER H 1 28 TYR H . . 6.500 4.193 4.001 4.486 . 0 0 "[ . 1 . 2]" 1
426 1 26 SER H 1 29 GLN H . . 6.500 4.836 4.633 5.117 . 0 0 "[ . 1 . 2]" 1
427 1 26 SER H 1 30 SER H . . 6.500 5.621 5.042 6.521 0.021 11 0 "[ . 1 . 2]" 1
428 1 26 SER H 1 31 CYS H . . 6.500 5.798 5.196 6.502 0.002 6 0 "[ . 1 . 2]" 1
429 1 26 SER H 1 35 TYR QD . . 6.500 6.002 5.136 6.421 . 0 0 "[ . 1 . 2]" 1
430 1 26 SER HA 1 28 TYR H . . 6.500 4.036 3.684 4.853 . 0 0 "[ . 1 . 2]" 1
431 1 26 SER HA 1 29 GLN H . . 6.500 3.261 2.889 3.926 . 0 0 "[ . 1 . 2]" 1
432 1 26 SER HA 1 30 SER H . . 6.500 4.642 3.689 5.820 . 0 0 "[ . 1 . 2]" 1
433 1 26 SER HA 1 31 CYS H . . 6.500 4.848 4.051 5.947 . 0 0 "[ . 1 . 2]" 1
434 1 26 SER HB2 1 27 TYR H . . 6.500 3.904 2.915 4.263 . 0 0 "[ . 1 . 2]" 1
435 1 26 SER HB2 1 29 GLN H . . 6.500 5.421 4.698 6.203 . 0 0 "[ . 1 . 2]" 1
436 1 26 SER HB2 1 31 CYS HB2 . . 6.500 6.489 6.029 6.573 0.073 20 0 "[ . 1 . 2]" 1
437 1 26 SER HB3 1 27 TYR H . . 6.500 3.690 2.642 4.292 . 0 0 "[ . 1 . 2]" 1
438 1 26 SER HB3 1 29 GLN H . . 6.500 5.531 5.126 6.175 . 0 0 "[ . 1 . 2]" 1
439 1 26 SER HB3 1 35 TYR QE . . 6.500 5.117 3.100 6.420 . 0 0 "[ . 1 . 2]" 1
440 1 27 TYR H 1 27 TYR HB2 . . 4.000 2.912 2.644 3.233 . 0 0 "[ . 1 . 2]" 1
441 1 27 TYR H 1 27 TYR HB3 . . 4.000 2.150 2.083 2.268 . 0 0 "[ . 1 . 2]" 1
442 1 27 TYR H 1 27 TYR QD . . 5.000 3.939 3.796 4.052 . 0 0 "[ . 1 . 2]" 1
443 1 27 TYR H 1 28 TYR H . . 3.000 2.548 2.180 2.792 . 0 0 "[ . 1 . 2]" 1
444 1 27 TYR H 1 28 TYR HD2 . . 6.500 4.279 3.692 5.015 . 0 0 "[ . 1 . 2]" 1
445 1 27 TYR H 1 28 TYR HE2 . . 6.500 5.855 5.067 6.128 . 0 0 "[ . 1 . 2]" 1
446 1 27 TYR H 1 29 GLN H . . 6.500 3.915 3.603 4.231 . 0 0 "[ . 1 . 2]" 1
447 1 27 TYR HA 1 27 TYR HB2 . . 3.000 2.306 2.236 2.346 . 0 0 "[ . 1 . 2]" 1
448 1 27 TYR HA 1 27 TYR HB3 . . 3.000 2.992 2.945 3.008 0.008 3 0 "[ . 1 . 2]" 1
449 1 27 TYR HA 1 27 TYR QD . . 4.000 2.804 2.602 2.990 . 0 0 "[ . 1 . 2]" 1
450 1 27 TYR HA 1 28 TYR HD2 . . 6.500 5.582 5.292 6.059 . 0 0 "[ . 1 . 2]" 1
451 1 27 TYR HA 1 29 GLN H . . 6.500 4.259 3.990 4.591 . 0 0 "[ . 1 . 2]" 1
452 1 27 TYR HB2 1 27 TYR QD . . 3.000 2.625 2.555 2.727 . 0 0 "[ . 1 . 2]" 1
453 1 27 TYR HB2 1 28 TYR H . . 5.000 4.350 4.116 4.531 . 0 0 "[ . 1 . 2]" 1
454 1 27 TYR HB2 1 28 TYR HD2 . . 6.500 5.317 5.065 5.665 . 0 0 "[ . 1 . 2]" 1
455 1 27 TYR HB2 1 29 GLN H . . 6.500 5.896 5.690 6.140 . 0 0 "[ . 1 . 2]" 1
456 1 27 TYR HB3 1 27 TYR QD . . 3.000 2.270 2.231 2.310 . 0 0 "[ . 1 . 2]" 1
457 1 27 TYR HB3 1 28 TYR H . . 5.000 3.266 2.842 3.624 . 0 0 "[ . 1 . 2]" 1
458 1 27 TYR QD 1 28 TYR H . . 6.500 3.919 2.918 4.421 . 0 0 "[ . 1 . 2]" 1
459 1 27 TYR QD 1 28 TYR HA . . 6.500 4.689 3.835 4.977 . 0 0 "[ . 1 . 2]" 1
460 1 27 TYR QD 1 28 TYR HB2 . . 6.500 4.852 4.145 5.337 . 0 0 "[ . 1 . 2]" 1
461 1 27 TYR QD 1 28 TYR HD2 . . 5.000 2.828 2.289 3.296 . 0 0 "[ . 1 . 2]" 1
462 1 27 TYR QD 1 28 TYR HE2 . . 5.000 2.632 2.386 3.127 . 0 0 "[ . 1 . 2]" 1
463 1 27 TYR QD 1 29 GLN H . . 6.500 5.719 5.252 6.039 . 0 0 "[ . 1 . 2]" 1
464 1 27 TYR HE2 1 28 TYR H . . 6.500 5.953 4.824 6.656 0.156 10 0 "[ . 1 . 2]" 1
465 1 27 TYR HE2 1 28 TYR HA . . 6.500 5.845 4.239 6.710 0.210 10 0 "[ . 1 . 2]" 1
466 1 27 TYR HE2 1 28 TYR HD2 . . 6.500 4.228 2.440 4.896 . 0 0 "[ . 1 . 2]" 1
467 1 27 TYR HE2 1 28 TYR HE2 . . 4.000 2.976 2.632 3.626 . 0 0 "[ . 1 . 2]" 1
468 1 28 TYR H 1 28 TYR HD2 . . 5.000 3.034 2.537 3.452 . 0 0 "[ . 1 . 2]" 1
469 1 28 TYR H 1 29 GLN H . . 3.500 2.312 2.048 2.830 . 0 0 "[ . 1 . 2]" 1
470 1 28 TYR H 1 30 SER H . . 6.500 3.895 3.589 4.299 . 0 0 "[ . 1 . 2]" 1
471 1 28 TYR HA 1 28 TYR HD2 . . 4.000 4.158 4.019 4.308 0.308 9 0 "[ . 1 . 2]" 1
472 1 28 TYR HA 1 29 GLN H . . 6.500 3.369 3.115 3.484 . 0 0 "[ . 1 . 2]" 1
473 1 28 TYR HA 1 30 SER H . . 6.500 4.635 4.127 5.192 . 0 0 "[ . 1 . 2]" 1
474 1 28 TYR HB2 1 30 SER HB2 . . 6.500 4.029 2.732 4.917 . 0 0 "[ . 1 . 2]" 1
475 1 28 TYR HB3 1 29 GLN H . . 6.500 4.141 3.798 4.615 . 0 0 "[ . 1 . 2]" 1
476 1 28 TYR HB3 1 30 SER H . . 6.500 3.770 2.664 5.864 . 0 0 "[ . 1 . 2]" 1
477 1 28 TYR HB3 1 30 SER HB3 . . 6.500 4.085 2.719 7.359 0.859 17 2 "[ . -1 . + 2]" 1
478 1 28 TYR HD2 1 29 GLN H . . 6.500 5.107 4.723 5.592 . 0 0 "[ . 1 . 2]" 1
479 1 28 TYR HD2 1 30 SER H . . 6.500 5.469 5.103 6.439 . 0 0 "[ . 1 . 2]" 1
480 1 28 TYR HD2 1 30 SER HG . . 6.500 5.341 3.966 6.863 0.363 11 0 "[ . 1 . 2]" 1
481 1 29 GLN H 1 29 GLN HB3 . . 4.000 4.001 3.905 4.063 0.063 7 0 "[ . 1 . 2]" 1
482 1 29 GLN H 1 29 GLN HE21 . . 6.500 3.106 2.578 4.286 . 0 0 "[ . 1 . 2]" 1
483 1 29 GLN H 1 30 SER H . . 3.500 2.830 2.673 3.186 . 0 0 "[ . 1 . 2]" 1
484 1 29 GLN H 1 31 CYS H . . 6.500 4.598 4.088 5.116 . 0 0 "[ . 1 . 2]" 1
485 1 29 GLN HA 1 29 GLN HB3 . . 2.500 2.401 2.319 2.493 . 0 0 "[ . 1 . 2]" 1
486 1 29 GLN HA 1 30 SER H . . 5.000 2.865 2.667 3.263 . 0 0 "[ . 1 . 2]" 1
487 1 29 GLN HA 1 31 CYS H . . 5.000 3.559 3.234 3.744 . 0 0 "[ . 1 . 2]" 1
488 1 29 GLN HB3 1 30 SER H . . 5.000 4.506 4.448 4.557 . 0 0 "[ . 1 . 2]" 1
489 1 29 GLN HB3 1 31 CYS H . . 6.500 5.182 4.744 5.484 . 0 0 "[ . 1 . 2]" 1
490 1 30 SER H 1 31 CYS H . . 3.000 2.544 2.394 3.007 0.007 16 0 "[ . 1 . 2]" 1
491 1 30 SER HB2 1 31 CYS H . . 6.500 4.173 3.567 4.453 . 0 0 "[ . 1 . 2]" 1
492 1 30 SER HB3 1 31 CYS H . . 6.500 4.490 4.338 4.656 . 0 0 "[ . 1 . 2]" 1
493 1 30 SER HG 1 31 CYS H . . 6.500 4.999 4.469 5.729 . 0 0 "[ . 1 . 2]" 1
494 1 31 CYS H 1 31 CYS HB2 . . 4.000 2.411 2.003 2.692 . 0 0 "[ . 1 . 2]" 1
495 1 31 CYS H 1 35 TYR QD . . 6.500 5.999 5.467 6.552 0.052 16 0 "[ . 1 . 2]" 1
496 1 31 CYS HA 1 32 CYS H . . 2.700 2.390 2.250 2.565 . 0 0 "[ . 1 . 2]" 1
497 1 31 CYS HB2 1 35 TYR H . . 6.500 5.025 4.202 6.422 . 0 0 "[ . 1 . 2]" 1
498 1 31 CYS HB3 1 35 TYR H . . 6.500 4.330 3.962 4.840 . 0 0 "[ . 1 . 2]" 1
499 1 31 CYS HB3 1 35 TYR HA . . 6.500 4.790 4.284 6.027 . 0 0 "[ . 1 . 2]" 1
500 1 31 CYS HB3 1 35 TYR HB3 . . 5.000 3.176 2.762 4.043 . 0 0 "[ . 1 . 2]" 1
501 1 31 CYS HB3 1 35 TYR QD . . 5.000 3.381 2.591 4.628 . 0 0 "[ . 1 . 2]" 1
502 1 31 CYS HB3 1 35 TYR QE . . 6.500 4.789 3.883 6.000 . 0 0 "[ . 1 . 2]" 1
503 1 31 CYS HB3 1 36 THR H . . 6.500 5.678 5.268 6.284 . 0 0 "[ . 1 . 2]" 1
504 1 32 CYS H 1 34 ASP H . . 6.500 5.297 5.144 5.476 . 0 0 "[ . 1 . 2]" 1
505 1 32 CYS H 1 35 TYR H . . 6.500 4.538 4.102 4.751 . 0 0 "[ . 1 . 2]" 1
506 1 32 CYS H 1 35 TYR HA . . 6.500 4.559 3.986 4.951 . 0 0 "[ . 1 . 2]" 1
507 1 32 CYS H 1 35 TYR QD . . 6.500 3.270 2.347 3.936 . 0 0 "[ . 1 . 2]" 1
508 1 32 CYS HA 1 33 THR H . . 2.700 2.292 2.206 2.406 . 0 0 "[ . 1 . 2]" 1
509 1 32 CYS HB2 1 33 THR H . . 6.500 2.936 2.553 3.602 . 0 0 "[ . 1 . 2]" 1
510 1 32 CYS HB2 1 34 ASP H . . 5.000 2.817 2.456 3.817 . 0 0 "[ . 1 . 2]" 1
511 1 32 CYS HB2 1 35 TYR H . . 6.500 3.514 2.207 4.769 . 0 0 "[ . 1 . 2]" 1
512 1 32 CYS HB3 1 33 THR H . . 6.500 3.445 2.594 4.157 . 0 0 "[ . 1 . 2]" 1
513 1 32 CYS HB3 1 34 ASP H . . 5.000 4.237 2.714 4.716 . 0 0 "[ . 1 . 2]" 1
514 1 32 CYS HB3 1 35 TYR H . . 6.500 4.852 3.529 5.445 . 0 0 "[ . 1 . 2]" 1
515 1 32 CYS HB3 1 35 TYR HB2 . . 6.500 4.566 3.878 5.006 . 0 0 "[ . 1 . 2]" 1
516 1 33 THR H 1 34 ASP H . . 3.500 2.956 2.791 3.089 . 0 0 "[ . 1 . 2]" 1
517 1 33 THR H 1 35 TYR H . . 6.500 4.499 4.284 4.814 . 0 0 "[ . 1 . 2]" 1
518 1 33 THR HA 1 33 THR MG . . 3.000 2.311 2.228 2.366 . 0 0 "[ . 1 . 2]" 1
519 1 33 THR HA 1 35 TYR H . . 6.500 4.342 4.087 4.692 . 0 0 "[ . 1 . 2]" 1
520 1 33 THR HB 1 33 THR MG . . 2.500 2.152 2.142 2.164 . 0 0 "[ . 1 . 2]" 1
521 1 33 THR HB 1 34 ASP H . . 6.500 3.584 2.950 4.145 . 0 0 "[ . 1 . 2]" 1
522 1 33 THR MG 1 34 ASP H . . 6.500 4.150 3.925 4.361 . 0 0 "[ . 1 . 2]" 1
523 1 34 ASP H 1 35 TYR H . . 3.500 2.440 2.248 2.616 . 0 0 "[ . 1 . 2]" 1
524 1 34 ASP H 1 36 THR H . . 6.500 5.485 5.301 5.644 . 0 0 "[ . 1 . 2]" 1
525 1 34 ASP H 1 37 ALA H . . 6.500 5.671 5.576 5.824 . 0 0 "[ . 1 . 2]" 1
526 1 34 ASP HA 1 36 THR H . . 6.500 4.116 3.871 4.644 . 0 0 "[ . 1 . 2]" 1
527 1 34 ASP HA 1 37 ALA H . . 6.500 4.255 3.933 4.484 . 0 0 "[ . 1 . 2]" 1
528 1 34 ASP HA 1 37 ALA MB . . 6.500 4.334 3.764 4.811 . 0 0 "[ . 1 . 2]" 1
529 1 34 ASP HA 1 38 GLU HG3 . . 6.500 5.399 4.753 5.854 . 0 0 "[ . 1 . 2]" 1
530 1 34 ASP HB2 1 35 TYR H . . 6.500 4.363 3.906 4.620 . 0 0 "[ . 1 . 2]" 1
531 1 34 ASP HB2 1 37 ALA H . . 6.500 5.227 4.708 5.670 . 0 0 "[ . 1 . 2]" 1
532 1 34 ASP HB2 1 38 GLU HB3 . . 6.500 4.936 3.762 6.318 . 0 0 "[ . 1 . 2]" 1
533 1 34 ASP HB2 1 38 GLU HG3 . . 6.500 3.418 2.507 4.264 . 0 0 "[ . 1 . 2]" 1
534 1 34 ASP HB3 1 35 TYR H . . 6.500 4.360 4.090 4.543 . 0 0 "[ . 1 . 2]" 1
535 1 34 ASP HB3 1 37 ALA H . . 6.500 4.201 3.671 4.709 . 0 0 "[ . 1 . 2]" 1
536 1 35 TYR H 1 35 TYR HB2 . . 4.000 2.472 2.331 2.560 . 0 0 "[ . 1 . 2]" 1
537 1 35 TYR H 1 35 TYR HB3 . . 4.000 2.574 2.433 2.741 . 0 0 "[ . 1 . 2]" 1
538 1 35 TYR H 1 35 TYR QD . . 5.000 4.229 4.101 4.269 . 0 0 "[ . 1 . 2]" 1
539 1 35 TYR H 1 36 THR H . . 3.500 3.375 3.247 3.540 0.040 16 0 "[ . 1 . 2]" 1
540 1 35 TYR H 1 37 ALA H . . 6.500 4.547 4.408 4.625 . 0 0 "[ . 1 . 2]" 1
541 1 35 TYR H 1 38 GLU H . . 6.500 4.713 4.554 4.871 . 0 0 "[ . 1 . 2]" 1
542 1 35 TYR HA 1 35 TYR QD . . 4.000 3.027 2.863 3.164 . 0 0 "[ . 1 . 2]" 1
543 1 35 TYR HA 1 37 ALA H . . 6.500 4.054 3.981 4.150 . 0 0 "[ . 1 . 2]" 1
544 1 35 TYR HA 1 37 ALA MB . . 6.500 5.594 5.411 5.747 . 0 0 "[ . 1 . 2]" 1
545 1 35 TYR HA 1 38 GLU H . . 6.500 3.619 3.422 3.793 . 0 0 "[ . 1 . 2]" 1
546 1 35 TYR HA 1 38 GLU HB2 . . 6.500 3.803 3.130 4.276 . 0 0 "[ . 1 . 2]" 1
547 1 35 TYR HA 1 38 GLU HB3 . . 6.500 4.977 3.967 5.620 . 0 0 "[ . 1 . 2]" 1
548 1 35 TYR HA 1 39 CYS H . . 6.500 2.569 2.113 2.895 . 0 0 "[ . 1 . 2]" 1
549 1 35 TYR HA 1 39 CYS HB2 . . 6.500 2.455 2.010 2.909 . 0 0 "[ . 1 . 2]" 1
550 1 35 TYR HA 1 39 CYS HB3 . . 6.500 3.878 3.522 4.213 . 0 0 "[ . 1 . 2]" 1
551 1 35 TYR HB2 1 35 TYR QD . . 3.000 2.464 2.387 2.520 . 0 0 "[ . 1 . 2]" 1
552 1 35 TYR HB2 1 36 THR H . . 4.000 3.969 3.833 4.022 0.022 19 0 "[ . 1 . 2]" 1
553 1 35 TYR HB2 1 37 ALA H . . 6.500 5.714 5.607 5.779 . 0 0 "[ . 1 . 2]" 1
554 1 35 TYR HB2 1 40 LYS H . . 6.500 5.708 5.357 6.188 . 0 0 "[ . 1 . 2]" 1
555 1 35 TYR HB3 1 35 TYR QD . . 3.000 2.401 2.349 2.483 . 0 0 "[ . 1 . 2]" 1
556 1 35 TYR HB3 1 36 THR H . . 6.500 2.567 2.364 2.647 . 0 0 "[ . 1 . 2]" 1
557 1 35 TYR HB3 1 37 ALA H . . 6.500 4.966 4.794 5.038 . 0 0 "[ . 1 . 2]" 1
558 1 35 TYR QD 1 36 THR H . . 6.500 2.877 2.708 3.104 . 0 0 "[ . 1 . 2]" 1
559 1 35 TYR QD 1 36 THR HA . . 4.000 3.114 2.894 3.385 . 0 0 "[ . 1 . 2]" 1
560 1 35 TYR QD 1 36 THR HB . . 6.500 4.688 4.515 4.854 . 0 0 "[ . 1 . 2]" 1
561 1 35 TYR QD 1 36 THR MG . . 5.000 2.929 2.169 3.677 . 0 0 "[ . 1 . 2]" 1
562 1 35 TYR QD 1 37 ALA H . . 6.500 5.088 4.996 5.180 . 0 0 "[ . 1 . 2]" 1
563 1 35 TYR QD 1 38 GLU HB2 . . 6.500 6.216 5.700 6.515 0.015 8 0 "[ . 1 . 2]" 1
564 1 35 TYR QD 1 39 CYS H . . 6.500 4.516 4.220 4.769 . 0 0 "[ . 1 . 2]" 1
565 1 35 TYR QD 1 39 CYS HA . . 6.500 5.080 4.806 5.324 . 0 0 "[ . 1 . 2]" 1
566 1 35 TYR QD 1 39 CYS HB3 . . 6.500 3.328 3.079 3.538 . 0 0 "[ . 1 . 2]" 1
567 1 35 TYR QD 1 40 LYS H . . 6.500 4.528 4.147 4.957 . 0 0 "[ . 1 . 2]" 1
568 1 35 TYR QD 1 40 LYS HB2 . . 6.500 4.652 4.089 5.364 . 0 0 "[ . 1 . 2]" 1
569 1 35 TYR QD 1 41 PRO HD3 . . 6.500 4.353 3.629 4.854 . 0 0 "[ . 1 . 2]" 1
570 1 35 TYR QD 1 41 PRO HG3 . . 6.500 5.762 4.518 6.519 0.019 19 0 "[ . 1 . 2]" 1
571 1 35 TYR QE 1 39 CYS H . . 6.500 5.711 5.392 5.965 . 0 0 "[ . 1 . 2]" 1
572 1 35 TYR QE 1 39 CYS HA . . 6.500 5.729 5.460 6.064 . 0 0 "[ . 1 . 2]" 1
573 1 35 TYR QE 1 39 CYS HB2 . . 5.000 3.556 3.262 3.859 . 0 0 "[ . 1 . 2]" 1
574 1 35 TYR QE 1 40 LYS H . . 6.500 4.989 4.440 5.391 . 0 0 "[ . 1 . 2]" 1
575 1 35 TYR QE 1 40 LYS HD3 . . 6.500 5.269 3.074 6.517 0.017 8 0 "[ . 1 . 2]" 1
576 1 35 TYR QE 1 40 LYS HG2 . . 6.500 5.537 4.824 6.149 . 0 0 "[ . 1 . 2]" 1
577 1 35 TYR QE 1 40 LYS HG3 . . 6.500 4.469 3.218 6.514 0.014 9 0 "[ . 1 . 2]" 1
578 1 35 TYR QE 1 41 PRO HD3 . . 6.500 2.929 2.574 3.527 . 0 0 "[ . 1 . 2]" 1
579 1 35 TYR QE 1 41 PRO HG2 . . 6.500 4.183 3.342 4.954 . 0 0 "[ . 1 . 2]" 1
580 1 36 THR H 1 36 THR HB . . 4.000 3.243 2.909 3.617 . 0 0 "[ . 1 . 2]" 1
581 1 36 THR H 1 37 ALA H . . 3.000 2.886 2.802 2.943 . 0 0 "[ . 1 . 2]" 1
582 1 36 THR H 1 38 GLU H . . 6.500 4.324 4.125 4.461 . 0 0 "[ . 1 . 2]" 1
583 1 36 THR HA 1 36 THR MG . . 3.000 2.197 2.150 2.242 . 0 0 "[ . 1 . 2]" 1
584 1 36 THR HA 1 38 GLU H . . 6.500 4.719 4.296 5.062 . 0 0 "[ . 1 . 2]" 1
585 1 36 THR HA 1 39 CYS H . . 6.500 4.671 4.517 5.154 . 0 0 "[ . 1 . 2]" 1
586 1 36 THR HA 1 40 LYS HB2 . . 6.500 2.578 2.164 4.222 . 0 0 "[ . 1 . 2]" 1
587 1 36 THR HA 1 40 LYS HB3 . . 5.000 3.916 2.425 4.537 . 0 0 "[ . 1 . 2]" 1
588 1 36 THR HA 1 40 LYS HG2 . . 6.500 4.589 3.653 5.050 . 0 0 "[ . 1 . 2]" 1
589 1 36 THR HA 1 40 LYS HG3 . . 6.500 3.950 3.199 5.172 . 0 0 "[ . 1 . 2]" 1
590 1 36 THR HB 1 37 ALA H . . 4.000 3.738 3.411 4.081 0.081 9 0 "[ . 1 . 2]" 1
591 1 36 THR MG 1 37 ALA H . . 6.500 4.352 4.310 4.420 . 0 0 "[ . 1 . 2]" 1
592 1 36 THR MG 1 38 GLU H . . 6.500 5.770 5.516 5.959 . 0 0 "[ . 1 . 2]" 1
593 1 36 THR MG 1 40 LYS H . . 6.500 5.256 5.043 5.658 . 0 0 "[ . 1 . 2]" 1
594 1 36 THR MG 1 40 LYS HA . . 6.500 4.840 4.561 5.161 . 0 0 "[ . 1 . 2]" 1
595 1 36 THR MG 1 40 LYS HB2 . . 6.500 3.853 3.560 5.171 . 0 0 "[ . 1 . 2]" 1
596 1 36 THR MG 1 40 LYS HB3 . . 5.000 4.875 3.933 5.081 0.081 18 0 "[ . 1 . 2]" 1
597 1 36 THR MG 1 40 LYS HD2 . . 6.500 4.064 2.413 5.828 . 0 0 "[ . 1 . 2]" 1
598 1 36 THR MG 1 40 LYS HE3 . . 6.500 4.622 2.616 7.063 0.563 9 1 "[ . +1 . 2]" 1
599 1 36 THR MG 1 40 LYS HG3 . . 6.500 4.229 3.241 6.464 . 0 0 "[ . 1 . 2]" 1
600 1 36 THR MG 1 41 PRO HD2 . . 6.500 5.772 5.396 6.465 . 0 0 "[ . 1 . 2]" 1
601 1 36 THR MG 1 41 PRO HD3 . . 6.500 6.503 6.248 6.555 0.055 9 0 "[ . 1 . 2]" 1
602 1 36 THR MG 1 43 VAL MG2 . . 6.500 5.947 3.680 6.526 0.026 16 0 "[ . 1 . 2]" 1
603 1 37 ALA H 1 37 ALA MB . . 3.000 2.448 2.342 2.509 . 0 0 "[ . 1 . 2]" 1
604 1 37 ALA H 1 38 GLU H . . 3.500 2.028 1.960 2.140 . 0 0 "[ . 1 . 2]" 1
605 1 37 ALA H 1 39 CYS H . . 6.500 3.611 3.388 4.169 . 0 0 "[ . 1 . 2]" 1
606 1 37 ALA H 1 40 LYS H . . 6.500 4.272 4.118 4.485 . 0 0 "[ . 1 . 2]" 1
607 1 37 ALA HA 1 37 ALA MB . . 2.500 2.141 2.134 2.146 . 0 0 "[ . 1 . 2]" 1
608 1 37 ALA HA 1 39 CYS H . . 6.500 4.992 4.683 5.836 . 0 0 "[ . 1 . 2]" 1
609 1 37 ALA HA 1 40 LYS H . . 6.500 4.909 4.487 5.435 . 0 0 "[ . 1 . 2]" 1
610 1 37 ALA HA 1 40 LYS HD3 . . 6.500 5.381 3.888 6.548 0.048 14 0 "[ . 1 . 2]" 1
611 1 37 ALA MB 1 38 GLU H . . 4.000 2.896 2.674 3.179 . 0 0 "[ . 1 . 2]" 1
612 1 37 ALA MB 1 39 CYS H . . 6.500 4.826 4.632 5.229 . 0 0 "[ . 1 . 2]" 1
613 1 37 ALA MB 1 40 LYS H . . 6.500 5.459 5.292 5.743 . 0 0 "[ . 1 . 2]" 1
614 1 38 GLU H 1 38 GLU HG3 . . 5.000 3.915 2.847 4.306 . 0 0 "[ . 1 . 2]" 1
615 1 38 GLU H 1 39 CYS H . . 3.500 2.367 2.172 2.632 . 0 0 "[ . 1 . 2]" 1
616 1 38 GLU H 1 40 LYS H . . 6.500 3.741 3.514 4.183 . 0 0 "[ . 1 . 2]" 1
617 1 38 GLU HA 1 38 GLU HB3 . . 3.000 2.566 2.422 2.798 . 0 0 "[ . 1 . 2]" 1
618 1 38 GLU HA 1 38 GLU HG3 . . 4.000 3.647 3.198 3.795 . 0 0 "[ . 1 . 2]" 1
619 1 38 GLU HA 1 40 LYS H . . 6.500 4.728 4.243 5.054 . 0 0 "[ . 1 . 2]" 1
620 1 38 GLU HB2 1 39 CYS H . . 5.000 3.073 2.507 3.328 . 0 0 "[ . 1 . 2]" 1
621 1 38 GLU HB2 1 40 LYS H . . 6.500 5.103 4.774 5.291 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLU HB3 1 39 CYS H . . 5.000 3.734 2.767 4.114 . 0 0 "[ . 1 . 2]" 1
623 1 39 CYS H 1 39 CYS HB3 . . 4.000 3.798 3.606 3.883 . 0 0 "[ . 1 . 2]" 1
624 1 39 CYS H 1 40 LYS H . . 3.000 2.121 1.918 2.646 . 0 0 "[ . 1 . 2]" 1
625 1 39 CYS H 1 41 PRO HD3 . . 6.500 5.638 5.111 5.930 . 0 0 "[ . 1 . 2]" 1
626 1 39 CYS HA 1 41 PRO HD2 . . 6.500 6.433 6.097 6.592 0.092 12 0 "[ . 1 . 2]" 1
627 1 39 CYS HA 1 41 PRO HD3 . . 6.500 5.017 4.552 5.309 . 0 0 "[ . 1 . 2]" 1
628 1 39 CYS HB2 1 40 LYS H . . 6.500 3.301 2.913 3.644 . 0 0 "[ . 1 . 2]" 1
629 1 39 CYS HB3 1 40 LYS H . . 5.000 4.307 4.050 4.490 . 0 0 "[ . 1 . 2]" 1
630 1 40 LYS H 1 40 LYS HD2 . . 6.500 5.310 4.493 5.936 . 0 0 "[ . 1 . 2]" 1
631 1 40 LYS H 1 40 LYS HE3 . . 6.500 5.649 4.353 6.802 0.302 16 0 "[ . 1 . 2]" 1
632 1 40 LYS H 1 41 PRO HG3 . . 6.500 6.376 5.693 6.643 0.143 4 0 "[ . 1 . 2]" 1
633 1 40 LYS HA 1 40 LYS HB2 . . 3.000 2.435 2.347 2.505 . 0 0 "[ . 1 . 2]" 1
634 1 40 LYS HA 1 41 PRO HD2 . . 3.500 2.219 2.082 2.499 . 0 0 "[ . 1 . 2]" 1
635 1 40 LYS HA 1 41 PRO HD3 . . 3.500 2.343 2.111 2.582 . 0 0 "[ . 1 . 2]" 1
636 1 40 LYS HA 1 42 GLN H . . 6.500 6.147 3.986 6.507 0.007 19 0 "[ . 1 . 2]" 1
637 1 40 LYS HB2 1 41 PRO HD2 . . 6.500 4.316 3.216 4.860 . 0 0 "[ . 1 . 2]" 1
638 1 40 LYS HB2 1 41 PRO HD3 . . 6.500 4.696 4.175 4.882 . 0 0 "[ . 1 . 2]" 1
639 1 40 LYS HB3 1 41 PRO HD2 . . 6.500 4.693 3.860 5.062 . 0 0 "[ . 1 . 2]" 1
640 1 40 LYS HB3 1 41 PRO HD3 . . 6.500 4.958 4.430 5.122 . 0 0 "[ . 1 . 2]" 1
641 1 40 LYS HB3 1 43 VAL MG2 . . 6.500 5.320 2.948 6.496 . 0 0 "[ . 1 . 2]" 1
642 1 40 LYS HG2 1 41 PRO HD2 . . 6.500 4.093 3.207 5.669 . 0 0 "[ . 1 . 2]" 1
643 1 40 LYS HG2 1 41 PRO HD3 . . 6.500 5.022 4.266 6.019 . 0 0 "[ . 1 . 2]" 1
644 1 41 PRO HA 1 42 GLN H . . 2.700 2.480 2.192 2.945 0.245 7 0 "[ . 1 . 2]" 1
645 1 41 PRO HB2 1 42 GLN H . . 6.500 3.156 2.079 4.487 . 0 0 "[ . 1 . 2]" 1
646 1 41 PRO HD3 1 42 GLN H . . 6.500 5.475 4.473 5.763 . 0 0 "[ . 1 . 2]" 1
647 1 41 PRO HG3 1 42 GLN H . . 6.500 4.860 4.508 5.505 . 0 0 "[ . 1 . 2]" 1
648 1 42 GLN H 1 43 VAL H . . 6.500 4.208 2.334 4.702 . 0 0 "[ . 1 . 2]" 1
649 1 42 GLN HA 1 43 VAL H . . 2.700 2.292 2.100 2.737 0.037 18 0 "[ . 1 . 2]" 1
650 1 42 GLN HA 1 44 THR H . . 6.500 5.286 2.964 6.505 0.005 11 0 "[ . 1 . 2]" 1
651 1 42 GLN HB2 1 43 VAL H . . 6.500 4.249 3.178 4.636 . 0 0 "[ . 1 . 2]" 1
652 1 42 GLN HE22 1 51 MET HA . . 6.500 4.931 2.752 6.526 0.026 3 0 "[ . 1 . 2]" 1
653 1 42 GLN HG3 1 43 VAL H . . 6.500 4.314 2.703 5.542 . 0 0 "[ . 1 . 2]" 1
654 1 43 VAL H 1 44 THR H . . 6.500 3.760 2.073 4.671 . 0 0 "[ . 1 . 2]" 1
655 1 43 VAL HA 1 44 THR H . . 2.700 2.434 2.128 2.921 0.221 15 0 "[ . 1 . 2]" 1
656 1 43 VAL HB 1 44 THR MG . . 6.500 5.612 4.501 6.591 0.091 16 0 "[ . 1 . 2]" 1
657 1 44 THR H 1 45 ARG H . . 6.500 4.047 2.372 4.664 . 0 0 "[ . 1 . 2]" 1
658 1 44 THR HA 1 45 ARG H . . 2.700 2.421 2.110 2.794 0.094 6 0 "[ . 1 . 2]" 1
659 1 44 THR MG 1 45 ARG H . . 6.500 3.533 2.137 4.360 . 0 0 "[ . 1 . 2]" 1
660 1 45 ARG HB2 1 47 ASP H . . 6.500 4.359 2.736 5.786 . 0 0 "[ . 1 . 2]" 1
661 1 45 ARG HB3 1 47 ASP H . . 6.500 3.435 2.059 6.383 . 0 0 "[ . 1 . 2]" 1
662 1 45 ARG HB3 1 48 VAL H . . 6.500 5.119 2.598 6.456 . 0 0 "[ . 1 . 2]" 1
663 1 45 ARG HE 1 47 ASP HB3 . . 6.500 5.275 2.037 6.560 0.060 10 0 "[ . 1 . 2]" 1
664 1 46 GLY H 1 47 ASP H . . 6.500 2.621 1.930 3.529 . 0 0 "[ . 1 . 2]" 1
665 1 46 GLY HA2 1 47 ASP H . . 6.500 3.338 2.838 3.606 . 0 0 "[ . 1 . 2]" 1
666 1 46 GLY HA3 1 47 ASP H . . 4.500 3.171 2.326 3.546 . 0 0 "[ . 1 . 2]" 1
667 1 47 ASP H 1 48 VAL H . . 6.500 2.892 1.930 4.405 . 0 0 "[ . 1 . 2]" 1
668 1 47 ASP HA 1 48 VAL H . . 3.000 2.863 2.157 3.274 0.274 5 0 "[ . 1 . 2]" 1
669 1 47 ASP HB2 1 48 VAL H . . 6.500 4.329 3.861 4.621 . 0 0 "[ . 1 . 2]" 1
670 1 48 VAL H 1 49 PHE H . . 6.500 4.289 3.169 4.657 . 0 0 "[ . 1 . 2]" 1
671 1 48 VAL HA 1 49 PHE H . . 2.700 2.327 2.108 2.756 0.056 10 0 "[ . 1 . 2]" 1
672 1 48 VAL HB 1 49 PHE H . . 6.500 3.520 2.066 4.526 . 0 0 "[ . 1 . 2]" 1
673 1 48 VAL MG2 1 49 PHE H . . 6.500 3.177 2.041 4.234 . 0 0 "[ . 1 . 2]" 1
674 1 49 PHE H 1 50 THR H . . 6.500 2.865 1.831 4.680 . 0 0 "[ . 1 . 2]" 1
675 1 49 PHE HA 1 50 THR H . . 4.500 3.159 2.170 3.596 . 0 0 "[ . 1 . 2]" 1
676 1 49 PHE HB2 1 50 THR H . . 6.500 3.791 2.199 4.519 . 0 0 "[ . 1 . 2]" 1
677 1 49 PHE HD1 1 50 THR H . . 6.500 4.935 2.946 6.044 . 0 0 "[ . 1 . 2]" 1
678 1 50 THR HA 1 51 MET H . . 6.500 2.764 2.124 3.465 . 0 0 "[ . 1 . 2]" 1
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