NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442078 |
2kbx   |
16063 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kbx
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 1062
_Distance_constraint_stats_list.Viol_count 4029
_Distance_constraint_stats_list.Viol_total 16133.950
_Distance_constraint_stats_list.Viol_max 0.985
_Distance_constraint_stats_list.Viol_rms 0.1131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0380
_Distance_constraint_stats_list.Viol_average_violations_only 0.2002
_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
2 4 ALA 0.014 0.014 6 0 "[ . 1 . 2]"
2 5 LEU 0.561 0.182 19 0 "[ . 1 . 2]"
2 6 ALA 0.584 0.182 19 0 "[ . 1 . 2]"
2 7 SER 1.284 0.136 6 0 "[ . 1 . 2]"
2 8 ALA 2.131 0.144 7 0 "[ . 1 . 2]"
2 9 THR 33.887 0.805 10 19 [*********+***-*****2]
2 10 CYS 25.878 0.644 18 3 "[ . * 1 . +-2]"
2 11 GLU 25.682 0.466 5 0 "[ . 1 . 2]"
2 12 ARG 13.371 0.319 8 0 "[ . 1 . 2]"
2 13 CYS 13.582 0.319 8 0 "[ . 1 . 2]"
2 14 LYS 20.699 0.252 20 0 "[ . 1 . 2]"
2 15 GLY 35.575 0.985 10 20 [*********+********-*]
2 16 GLY 59.784 0.985 10 20 [*********+**-*******]
2 17 PHE 94.388 0.897 5 20 [****+********-******]
2 18 ALA 40.971 0.787 15 20 [*************-+*****]
2 19 PRO 31.134 0.536 8 5 "[ . + 1** . - *]"
2 20 ALA 33.716 0.666 15 10 "[ . *******+ - *]"
2 21 GLU 47.965 0.949 10 20 [********-+**********]
2 22 LYS 32.747 0.617 13 8 "[ . **-**+ . * *]"
2 23 ILE 66.681 0.949 10 20 [*********+**********]
2 24 VAL 12.419 0.261 5 0 "[ . 1 . 2]"
2 25 ASN 16.316 0.339 14 0 "[ . 1 . 2]"
2 26 SER 27.808 0.453 15 0 "[ . 1 . 2]"
2 27 ASN 32.496 0.453 15 0 "[ . 1 . 2]"
2 28 GLY 6.441 0.322 12 0 "[ . 1 . 2]"
2 29 GLU 17.146 0.440 20 0 "[ . 1 . 2]"
2 30 LEU 16.599 0.285 20 0 "[ . 1 . 2]"
2 31 TYR 43.391 0.688 14 20 [****-********+******]
2 32 HIS 49.528 0.727 7 20 [******+*************]
2 33 GLU 6.255 0.216 14 0 "[ . 1 . 2]"
2 34 GLN 36.114 0.727 7 20 [******+******-******]
2 35 CYS 37.383 0.466 5 0 "[ . 1 . 2]"
2 36 PHE 44.790 0.688 14 20 [*************+***-**]
2 37 VAL 26.492 0.566 9 7 "[ . +* * * *-*2]"
2 38 CYS 50.164 0.904 4 20 [***+************-***]
2 39 ALA 12.286 0.473 7 0 "[ . 1 . 2]"
2 40 GLN 11.965 0.447 20 0 "[ . 1 . 2]"
2 41 CYS 10.637 0.372 12 0 "[ . 1 . 2]"
2 42 PHE 36.235 0.653 9 20 [********+*******-***]
2 43 GLN 18.639 0.853 14 20 [-************+******]
2 44 GLN 32.544 0.904 4 20 [***+************-***]
2 45 PHE 19.516 0.853 14 20 [-************+******]
2 46 PRO 9.390 0.323 5 0 "[ . 1 . 2]"
2 47 GLU 22.891 0.512 14 2 "[ . 1 - +. 2]"
2 48 GLY 18.551 0.512 14 2 "[ . 1 - +. 2]"
2 49 LEU 12.482 0.571 1 2 "[+ .- 1 . 2]"
2 50 PHE 18.357 0.571 1 2 "[+ .- 1 . 2]"
2 51 TYR 20.245 0.934 14 20 [************-+******]
2 52 GLU 24.673 0.838 20 20 [****-**************+]
2 53 PHE 30.976 0.934 14 9 "[ * .** *1** +. - *2]"
2 54 GLU 9.924 0.362 17 0 "[ . 1 . 2]"
2 55 GLY 8.187 0.850 5 4 "[ *- + 1 * . 2]"
2 56 ARG 29.160 0.850 5 4 "[ *- + 1 * . 2]"
2 57 LYS 15.489 0.601 5 1 "[ + 1 . 2]"
2 58 TYR 7.264 0.312 5 0 "[ . 1 . 2]"
2 59 CYS 10.017 0.484 16 0 "[ . 1 . 2]"
2 60 GLU 43.866 0.561 7 2 "[ -. + 1 . 2]"
2 61 HIS 21.948 0.384 8 0 "[ . 1 . 2]"
2 62 ASP 25.270 0.419 10 0 "[ . 1 . 2]"
2 63 PHE 16.051 0.561 7 2 "[ . + 1 . -2]"
2 64 GLN 26.867 0.509 4 1 "[ +. 1 . 2]"
2 65 MET 10.175 0.358 6 0 "[ . 1 . 2]"
2 66 LEU 7.662 0.470 17 0 "[ . 1 . 2]"
2 67 PHE 20.165 0.792 19 9 "[ * .** *1** *. - +2]"
2 68 ALA 6.571 0.467 13 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 2 4 ALA HA 2 6 ALA H 3.000 . 4.300 3.502 3.017 4.314 0.014 6 0 "[ . 1 . 2]" 1
2 2 5 LEU H 2 6 ALA H 3.000 . 3.300 2.768 1.795 3.327 0.027 15 0 "[ . 1 . 2]" 1
3 2 5 LEU HA 2 6 ALA H 3.000 . 3.300 3.126 2.525 3.482 0.182 19 0 "[ . 1 . 2]" 1
4 2 6 ALA HA 2 7 SER H 3.000 . 3.300 2.664 2.214 3.145 . 0 0 "[ . 1 . 2]" 1
5 2 6 ALA H 2 6 ALA MB 3.000 . 3.300 2.617 2.247 2.866 . 0 0 "[ . 1 . 2]" 1
6 2 6 ALA MB 2 7 SER HA 4.000 . 5.000 3.911 3.817 4.325 . 0 0 "[ . 1 . 2]" 1
7 2 6 ALA MB 2 7 SER H 4.000 . 5.000 2.280 1.791 3.707 0.009 5 0 "[ . 1 . 2]" 1
8 2 6 ALA MB 2 9 THR MG 3.000 . 4.300 3.897 3.212 4.282 . 0 0 "[ . 1 . 2]" 1
9 2 7 SER HA 2 8 ALA H 3.000 . 3.300 2.918 2.228 3.380 0.080 15 0 "[ . 1 . 2]" 1
10 2 7 SER HA 2 9 THR MG 4.000 . 6.500 4.696 4.443 4.997 . 0 0 "[ . 1 . 2]" 1
11 2 7 SER H 2 7 SER QB 3.000 . 3.300 2.902 2.321 3.305 0.005 14 0 "[ . 1 . 2]" 1
12 2 7 SER QB 2 8 ALA H 3.000 . 4.300 2.482 1.771 3.574 0.029 7 0 "[ . 1 . 2]" 1
13 2 7 SER QB 2 18 ALA MB 4.000 . 5.000 4.412 2.610 4.993 . 0 0 "[ . 1 . 2]" 1
14 2 7 SER QB 2 23 ILE MD 4.000 . 6.800 5.905 5.338 6.536 . 0 0 "[ . 1 . 2]" 1
15 2 7 SER H 2 8 ALA H 3.000 . 4.300 3.915 3.481 4.306 0.006 6 0 "[ . 1 . 2]" 1
16 2 7 SER H 2 16 GLY HA3 3.000 . 4.300 3.980 3.367 4.337 0.037 5 0 "[ . 1 . 2]" 1
17 2 7 SER H 2 17 PHE HA 4.000 . 5.000 4.992 4.848 5.136 0.136 6 0 "[ . 1 . 2]" 1
18 2 8 ALA H 2 8 ALA HA 3.000 . 3.300 2.608 2.343 2.809 . 0 0 "[ . 1 . 2]" 1
19 2 8 ALA HA 2 9 THR MG 4.000 . 6.000 3.980 3.763 4.169 . 0 0 "[ . 1 . 2]" 1
20 2 8 ALA HA 2 9 THR H 3.000 . 3.300 2.228 2.169 2.288 . 0 0 "[ . 1 . 2]" 1
21 2 8 ALA HA 2 30 LEU MD2 4.000 . 6.000 4.950 4.627 5.268 . 0 0 "[ . 1 . 2]" 1
22 2 8 ALA H 2 8 ALA MB 3.000 . 3.300 2.503 2.224 2.918 . 0 0 "[ . 1 . 2]" 1
23 2 8 ALA MB 2 9 THR HA 4.000 . 5.000 4.145 4.035 4.200 . 0 0 "[ . 1 . 2]" 1
24 2 8 ALA MB 2 9 THR H 3.000 . 3.300 2.915 2.657 3.229 . 0 0 "[ . 1 . 2]" 1
25 2 8 ALA MB 2 17 PHE QD 3.000 . 4.000 2.469 2.269 2.713 . 0 0 "[ . 1 . 2]" 1
26 2 8 ALA MB 2 17 PHE HE1 3.000 . 3.300 2.240 2.076 2.429 . 0 0 "[ . 1 . 2]" 1
27 2 8 ALA MB 2 23 ILE HG13 4.000 . 6.000 4.638 4.403 4.902 . 0 0 "[ . 1 . 2]" 1
28 2 8 ALA MB 2 23 ILE MD 3.000 . 4.000 2.579 2.392 2.720 . 0 0 "[ . 1 . 2]" 1
29 2 8 ALA MB 2 30 LEU MD1 4.000 . 6.000 4.164 3.879 4.500 . 0 0 "[ . 1 . 2]" 1
30 2 8 ALA MB 2 30 LEU MD2 4.000 . 5.000 3.627 3.174 4.106 . 0 0 "[ . 1 . 2]" 1
31 2 8 ALA H 2 9 THR H 3.000 . 4.500 4.398 3.954 4.644 0.144 7 0 "[ . 1 . 2]" 1
32 2 9 THR HA 2 9 THR MG 3.000 . 3.300 2.290 2.250 2.342 . 0 0 "[ . 1 . 2]" 1
33 2 9 THR H 2 9 THR HA 3.000 . 3.300 2.988 2.977 3.002 . 0 0 "[ . 1 . 2]" 1
34 2 9 THR HA 2 10 CYS HB2 4.000 . 6.000 4.840 4.599 5.888 . 0 0 "[ . 1 . 2]" 1
35 2 9 THR HA 2 16 GLY HA3 4.000 . 5.000 3.580 3.465 3.725 . 0 0 "[ . 1 . 2]" 1
36 2 9 THR HA 2 16 GLY H 3.000 . 3.300 4.030 3.726 4.105 0.805 10 19 [*********+***-*****2] 1
37 2 9 THR HA 2 17 PHE HE1 4.000 . 5.000 3.074 2.903 3.235 . 0 0 "[ . 1 . 2]" 1
38 2 9 THR HA 2 23 ILE MD 4.000 . 6.000 5.255 4.974 5.488 . 0 0 "[ . 1 . 2]" 1
39 2 9 THR H 2 9 THR HB 3.000 . 4.300 3.669 3.613 3.820 . 0 0 "[ . 1 . 2]" 1
40 2 9 THR HB 2 10 CYS H 3.000 . 3.300 2.723 2.684 2.814 . 0 0 "[ . 1 . 2]" 1
41 2 9 THR HB 2 14 LYS HA 4.000 . 5.000 2.563 2.333 2.704 . 0 0 "[ . 1 . 2]" 1
42 2 9 THR HB 2 14 LYS HD2 4.000 . 5.000 4.244 3.762 4.425 . 0 0 "[ . 1 . 2]" 1
43 2 9 THR HB 2 15 GLY H 3.000 . 4.300 4.086 3.610 4.226 . 0 0 "[ . 1 . 2]" 1
44 2 9 THR HB 2 16 GLY H 4.000 . 5.000 5.038 4.629 5.108 0.108 17 0 "[ . 1 . 2]" 1
45 2 9 THR H 2 9 THR MG 4.000 . 5.000 3.186 3.068 3.262 . 0 0 "[ . 1 . 2]" 1
46 2 9 THR MG 2 10 CYS H 3.000 . 4.300 3.503 3.419 3.682 . 0 0 "[ . 1 . 2]" 1
47 2 9 THR MG 2 14 LYS HA 4.000 . 5.000 3.917 3.728 4.047 . 0 0 "[ . 1 . 2]" 1
48 2 9 THR MG 2 14 LYS HD3 4.000 . 6.000 6.029 5.866 6.155 0.155 17 0 "[ . 1 . 2]" 1
49 2 9 THR MG 2 14 LYS HD2 4.000 . 5.500 5.251 4.797 5.405 . 0 0 "[ . 1 . 2]" 1
50 2 9 THR MG 2 14 LYS H 4.000 . 6.000 5.511 5.381 5.642 . 0 0 "[ . 1 . 2]" 1
51 2 9 THR MG 2 15 GLY H 3.000 . 4.300 4.461 4.353 4.518 0.218 11 0 "[ . 1 . 2]" 1
52 2 9 THR MG 2 16 GLY HA3 4.000 . 5.000 2.672 2.543 2.911 . 0 0 "[ . 1 . 2]" 1
53 2 9 THR MG 2 16 GLY HA2 3.000 . 3.300 2.182 2.133 2.343 . 0 0 "[ . 1 . 2]" 1
54 2 9 THR MG 2 16 GLY H 3.000 . 4.300 3.507 2.834 3.854 . 0 0 "[ . 1 . 2]" 1
55 2 9 THR MG 2 17 PHE H 4.000 . 5.000 3.815 3.731 3.899 . 0 0 "[ . 1 . 2]" 1
56 2 9 THR MG 2 32 HIS HE1 4.000 . 6.200 5.243 4.839 5.714 . 0 0 "[ . 1 . 2]" 1
57 2 9 THR H 2 11 GLU HA 4.000 . 6.000 6.100 5.918 6.186 0.186 2 0 "[ . 1 . 2]" 1
58 2 9 THR H 2 17 PHE H 4.000 . 5.000 4.790 4.718 4.870 . 0 0 "[ . 1 . 2]" 1
59 2 9 THR H 2 17 PHE QD 3.000 . 4.300 4.527 4.386 4.638 0.338 4 0 "[ . 1 . 2]" 1
60 2 9 THR H 2 17 PHE HE1 4.000 . 5.000 2.897 2.525 3.053 . 0 0 "[ . 1 . 2]" 1
61 2 9 THR H 2 17 PHE HZ 3.000 . 4.300 4.441 4.025 4.529 0.229 20 0 "[ . 1 . 2]" 1
62 2 9 THR H 2 23 ILE MD 4.000 . 5.500 4.855 4.090 5.123 . 0 0 "[ . 1 . 2]" 1
63 2 9 THR H 2 30 LEU HB2 3.000 . 4.300 4.443 4.314 4.585 0.285 20 0 "[ . 1 . 2]" 1
64 2 9 THR H 2 30 LEU MD2 4.000 . 6.000 4.581 4.401 4.741 . 0 0 "[ . 1 . 2]" 1
65 2 10 CYS HA 2 10 CYS HB3 3.000 . 3.300 2.864 2.240 2.992 . 0 0 "[ . 1 . 2]" 1
66 2 10 CYS H 2 10 CYS HA 3.000 . 3.300 2.800 2.767 2.837 . 0 0 "[ . 1 . 2]" 1
67 2 10 CYS HA 2 11 GLU HB2 4.000 . 5.500 4.642 4.410 4.732 . 0 0 "[ . 1 . 2]" 1
68 2 10 CYS HA 2 11 GLU H 3.000 . 3.300 2.083 2.047 2.108 . 0 0 "[ . 1 . 2]" 1
69 2 10 CYS HA 2 12 ARG H 3.000 . 3.300 3.476 3.437 3.519 0.219 20 0 "[ . 1 . 2]" 1
70 2 10 CYS HA 2 13 CYS H 3.000 . 4.300 4.361 4.209 4.420 0.120 17 0 "[ . 1 . 2]" 1
71 2 10 CYS HA 2 14 LYS H 3.000 . 4.300 4.280 4.209 4.444 0.144 19 0 "[ . 1 . 2]" 1
72 2 10 CYS HA 2 15 GLY H 3.000 . 4.300 4.582 4.158 4.944 0.644 18 3 "[ . * 1 . +-2]" 1
73 2 10 CYS HA 2 30 LEU HB2 4.000 . 5.000 3.686 3.484 3.976 . 0 0 "[ . 1 . 2]" 1
74 2 10 CYS HA 2 31 TYR HA 4.000 . 5.000 3.129 2.884 3.305 . 0 0 "[ . 1 . 2]" 1
75 2 10 CYS HB3 2 13 CYS H 2.500 . 2.800 2.385 1.985 3.117 0.317 19 0 "[ . 1 . 2]" 1
76 2 10 CYS HB3 2 14 LYS H 3.000 . 4.000 2.090 1.732 4.027 0.068 10 0 "[ . 1 . 2]" 1
77 2 10 CYS HB3 2 15 GLY H 3.000 . 4.000 2.373 1.852 4.054 0.054 8 0 "[ . 1 . 2]" 1
78 2 10 CYS HB2 2 11 GLU H 3.000 . 4.300 3.787 2.806 4.005 . 0 0 "[ . 1 . 2]" 1
79 2 10 CYS HB2 2 12 ARG H 3.000 . 4.000 3.499 1.725 3.888 0.075 19 0 "[ . 1 . 2]" 1
80 2 10 CYS HB2 2 13 CYS H 3.000 . 4.000 3.066 1.713 3.375 0.087 8 0 "[ . 1 . 2]" 1
81 2 10 CYS HB2 2 14 LYS H 3.000 . 3.300 3.356 2.562 3.501 0.201 17 0 "[ . 1 . 2]" 1
82 2 10 CYS HB2 2 15 GLY H 3.000 . 4.300 2.894 2.581 3.909 . 0 0 "[ . 1 . 2]" 1
83 2 10 CYS HB2 2 32 HIS H 4.000 . 5.000 3.512 3.141 3.740 . 0 0 "[ . 1 . 2]" 1
84 2 10 CYS H 2 11 GLU H 3.000 . 4.300 4.513 4.481 4.533 0.233 10 0 "[ . 1 . 2]" 1
85 2 10 CYS H 2 12 ARG H 4.000 . 5.000 4.838 4.673 4.979 . 0 0 "[ . 1 . 2]" 1
86 2 10 CYS H 2 13 CYS HB3 4.000 . 6.000 5.799 5.502 6.210 0.210 8 0 "[ . 1 . 2]" 1
87 2 10 CYS H 2 14 LYS HA 3.000 . 3.300 3.423 3.255 3.469 0.169 5 0 "[ . 1 . 2]" 1
88 2 10 CYS H 2 14 LYS HB2 4.000 . 6.000 5.627 5.397 5.861 . 0 0 "[ . 1 . 2]" 1
89 2 10 CYS H 2 14 LYS HD2 4.000 . 5.500 5.496 5.241 5.565 0.065 13 0 "[ . 1 . 2]" 1
90 2 10 CYS H 2 15 GLY H 3.000 . 3.300 2.770 2.252 2.894 . 0 0 "[ . 1 . 2]" 1
91 2 10 CYS H 2 17 PHE QD 4.000 . 5.500 4.646 4.497 4.736 . 0 0 "[ . 1 . 2]" 1
92 2 10 CYS H 2 17 PHE HE2 3.000 . 4.500 4.591 4.546 4.623 0.123 3 0 "[ . 1 . 2]" 1
93 2 10 CYS H 2 17 PHE HZ 3.000 . 4.000 3.893 3.766 3.963 . 0 0 "[ . 1 . 2]" 1
94 2 10 CYS H 2 17 PHE H 3.000 . 4.500 4.137 4.036 4.240 . 0 0 "[ . 1 . 2]" 1
95 2 10 CYS H 2 23 ILE MD 4.000 . 7.000 5.895 5.589 6.147 . 0 0 "[ . 1 . 2]" 1
96 2 10 CYS H 2 32 HIS HE1 4.000 . 5.000 3.070 2.607 3.416 . 0 0 "[ . 1 . 2]" 1
97 2 10 CYS H 2 32 HIS H 4.000 . 6.500 5.645 5.156 5.904 . 0 0 "[ . 1 . 2]" 1
98 2 11 GLU HA 2 11 GLU HG3 4.000 . 5.000 3.269 2.436 3.451 . 0 0 "[ . 1 . 2]" 1
99 2 11 GLU HA 2 11 GLU HG2 4.000 . 5.000 3.708 3.610 3.747 . 0 0 "[ . 1 . 2]" 1
100 2 11 GLU H 2 11 GLU HA 3.000 . 3.300 2.959 2.930 2.994 . 0 0 "[ . 1 . 2]" 1
101 2 11 GLU HA 2 12 ARG H 3.000 . 3.300 3.320 3.233 3.380 0.080 3 0 "[ . 1 . 2]" 1
102 2 11 GLU HA 2 14 LYS HE3 4.000 . 6.000 5.589 5.311 6.055 0.055 17 0 "[ . 1 . 2]" 1
103 2 11 GLU H 2 11 GLU HB3 3.000 . 3.300 2.518 2.389 2.924 . 0 0 "[ . 1 . 2]" 1
104 2 11 GLU HB3 2 12 ARG H 3.000 . 4.300 3.489 3.302 3.757 . 0 0 "[ . 1 . 2]" 1
105 2 11 GLU HB3 2 30 LEU H 4.000 . 5.500 3.940 3.481 4.282 . 0 0 "[ . 1 . 2]" 1
106 2 11 GLU HB3 2 31 TYR HD2 4.000 . 5.000 3.234 2.968 3.716 . 0 0 "[ . 1 . 2]" 1
107 2 11 GLU HB2 2 11 GLU HG3 3.000 . 4.000 3.026 2.989 3.036 . 0 0 "[ . 1 . 2]" 1
108 2 11 GLU HB2 2 11 GLU HG2 3.000 . 4.000 2.430 2.358 2.742 . 0 0 "[ . 1 . 2]" 1
109 2 11 GLU H 2 11 GLU HB2 3.000 . 4.000 2.862 2.620 2.951 . 0 0 "[ . 1 . 2]" 1
110 2 11 GLU HB2 2 12 ARG H 4.000 . 5.000 4.380 4.301 4.507 . 0 0 "[ . 1 . 2]" 1
111 2 11 GLU H 2 11 GLU HG3 4.000 . 5.000 4.451 4.372 4.621 . 0 0 "[ . 1 . 2]" 1
112 2 11 GLU HG3 2 12 ARG H 4.000 . 5.000 4.324 4.094 4.699 . 0 0 "[ . 1 . 2]" 1
113 2 11 GLU HG3 2 13 CYS H 4.000 . 6.800 6.269 6.054 6.599 . 0 0 "[ . 1 . 2]" 1
114 2 11 GLU H 2 11 GLU HG2 4.000 . 5.000 4.803 4.737 4.899 . 0 0 "[ . 1 . 2]" 1
115 2 11 GLU HG2 2 30 LEU H 4.000 . 6.000 4.495 3.879 4.807 . 0 0 "[ . 1 . 2]" 1
116 2 11 GLU H 2 12 ARG H 3.000 . 3.300 2.491 2.348 2.637 . 0 0 "[ . 1 . 2]" 1
117 2 11 GLU H 2 12 ARG QG 4.000 . 5.500 5.141 3.878 5.742 0.242 7 0 "[ . 1 . 2]" 1
118 2 11 GLU H 2 13 CYS H 3.000 . 4.300 4.253 4.140 4.389 0.089 8 0 "[ . 1 . 2]" 1
119 2 11 GLU H 2 14 LYS H 4.000 . 5.000 4.461 4.353 4.597 . 0 0 "[ . 1 . 2]" 1
120 2 11 GLU H 2 15 GLY H 4.000 . 6.000 5.801 5.333 6.125 0.125 18 0 "[ . 1 . 2]" 1
121 2 11 GLU H 2 17 PHE QD 4.000 . 6.600 6.309 6.201 6.369 . 0 0 "[ . 1 . 2]" 1
122 2 11 GLU H 2 17 PHE HE2 3.000 . 4.300 4.428 4.349 4.491 0.191 18 0 "[ . 1 . 2]" 1
123 2 11 GLU H 2 17 PHE HZ 3.000 . 3.300 3.557 3.358 3.658 0.358 5 0 "[ . 1 . 2]" 1
124 2 11 GLU H 2 30 LEU MD2 4.000 . 6.800 4.949 4.604 5.221 . 0 0 "[ . 1 . 2]" 1
125 2 11 GLU H 2 30 LEU H 4.000 . 5.500 4.156 3.805 4.604 . 0 0 "[ . 1 . 2]" 1
126 2 11 GLU H 2 31 TYR HA 3.000 . 3.300 2.357 2.250 2.509 . 0 0 "[ . 1 . 2]" 1
127 2 11 GLU H 2 31 TYR H 3.000 . 4.300 4.309 4.250 4.426 0.126 15 0 "[ . 1 . 2]" 1
128 2 11 GLU H 2 32 HIS HE1 4.000 . 6.000 6.105 5.930 6.200 0.200 13 0 "[ . 1 . 2]" 1
129 2 11 GLU H 2 32 HIS H 4.000 . 5.000 3.928 3.807 4.092 . 0 0 "[ . 1 . 2]" 1
130 2 11 GLU H 2 35 CYS H 4.000 . 6.500 6.848 6.708 6.966 0.466 5 0 "[ . 1 . 2]" 1
131 2 12 ARG HA 2 13 CYS H 3.000 . 3.300 3.565 3.544 3.619 0.319 8 0 "[ . 1 . 2]" 1
132 2 12 ARG HA 2 12 ARG HB3 3.000 . 4.000 2.780 2.423 2.968 . 0 0 "[ . 1 . 2]" 1
133 2 12 ARG HB3 2 13 CYS H 3.000 . 4.300 3.003 2.591 3.625 . 0 0 "[ . 1 . 2]" 1
134 2 12 ARG HB3 2 37 VAL MG2 4.000 . 6.200 4.841 4.371 5.320 . 0 0 "[ . 1 . 2]" 1
135 2 12 ARG HB2 2 13 CYS H 3.000 . 4.300 3.131 2.488 4.235 . 0 0 "[ . 1 . 2]" 1
136 2 12 ARG H 2 12 ARG QD 4.000 . 5.300 4.535 3.296 5.118 . 0 0 "[ . 1 . 2]" 1
137 2 12 ARG H 2 12 ARG QG 3.000 . 4.000 3.645 2.774 4.121 0.121 4 0 "[ . 1 . 2]" 1
138 2 12 ARG H 2 13 CYS HA 4.000 . 5.000 4.813 4.709 4.911 . 0 0 "[ . 1 . 2]" 1
139 2 12 ARG H 2 13 CYS HB3 4.000 . 6.000 5.206 4.480 5.984 . 0 0 "[ . 1 . 2]" 1
140 2 12 ARG H 2 13 CYS H 3.000 . 3.300 2.164 1.993 2.301 . 0 0 "[ . 1 . 2]" 1
141 2 12 ARG H 2 14 LYS H 3.000 . 3.300 2.754 2.612 3.004 . 0 0 "[ . 1 . 2]" 1
142 2 12 ARG H 2 15 GLY H 4.000 . 5.000 4.828 4.654 5.082 0.082 19 0 "[ . 1 . 2]" 1
143 2 12 ARG H 2 31 TYR H 4.000 . 6.800 6.367 6.126 6.678 . 0 0 "[ . 1 . 2]" 1
144 2 12 ARG H 2 31 TYR HB3 4.000 . 6.000 5.130 4.921 5.450 . 0 0 "[ . 1 . 2]" 1
145 2 12 ARG H 2 31 TYR HD2 4.000 . 5.500 4.161 3.850 4.551 . 0 0 "[ . 1 . 2]" 1
146 2 12 ARG H 2 32 HIS HE1 4.000 . 6.000 6.033 5.964 6.106 0.106 11 0 "[ . 1 . 2]" 1
147 2 12 ARG H 2 32 HIS H 4.000 . 5.000 4.328 4.216 4.543 . 0 0 "[ . 1 . 2]" 1
148 2 12 ARG H 2 35 CYS HB3 3.000 . 4.000 3.943 3.767 4.073 0.073 5 0 "[ . 1 . 2]" 1
149 2 12 ARG H 2 35 CYS H 4.000 . 6.500 6.565 6.413 6.689 0.189 20 0 "[ . 1 . 2]" 1
150 2 13 CYS H 2 13 CYS HA 3.000 . 3.300 2.947 2.899 3.003 . 0 0 "[ . 1 . 2]" 1
151 2 13 CYS HA 2 14 LYS H 3.000 . 3.300 3.352 3.304 3.424 0.124 5 0 "[ . 1 . 2]" 1
152 2 13 CYS HA 2 15 GLY H 4.000 . 5.000 4.149 3.896 4.442 . 0 0 "[ . 1 . 2]" 1
153 2 13 CYS H 2 13 CYS HB3 3.000 . 4.000 3.158 2.444 3.708 . 0 0 "[ . 1 . 2]" 1
154 2 13 CYS HB3 2 14 LYS H 3.000 . 4.300 4.080 3.946 4.438 0.138 8 0 "[ . 1 . 2]" 1
155 2 13 CYS HB3 2 15 GLY H 4.000 . 5.000 3.578 2.917 4.193 . 0 0 "[ . 1 . 2]" 1
156 2 13 CYS H 2 13 CYS HB2 3.000 . 4.300 3.120 2.541 3.753 . 0 0 "[ . 1 . 2]" 1
157 2 13 CYS HB2 2 14 LYS H 4.000 . 5.000 3.769 3.135 4.564 . 0 0 "[ . 1 . 2]" 1
158 2 13 CYS HB2 2 15 GLY H 4.000 . 5.500 3.090 2.277 4.260 . 0 0 "[ . 1 . 2]" 1
159 2 13 CYS H 2 14 LYS HA 4.000 . 5.000 4.563 4.322 4.762 . 0 0 "[ . 1 . 2]" 1
160 2 13 CYS H 2 14 LYS HG3 4.000 . 6.000 6.079 6.029 6.124 0.124 4 0 "[ . 1 . 2]" 1
161 2 13 CYS H 2 14 LYS HG2 4.000 . 5.000 4.509 4.433 4.589 . 0 0 "[ . 1 . 2]" 1
162 2 13 CYS H 2 15 GLY H 3.000 . 4.300 3.753 3.606 3.836 . 0 0 "[ . 1 . 2]" 1
163 2 13 CYS H 2 32 HIS HE1 4.000 . 5.000 5.113 4.958 5.264 0.264 15 0 "[ . 1 . 2]" 1
164 2 13 CYS H 2 32 HIS H 4.000 . 5.500 4.352 4.138 4.599 . 0 0 "[ . 1 . 2]" 1
165 2 13 CYS H 2 35 CYS HB3 4.000 . 5.000 4.166 3.922 4.497 . 0 0 "[ . 1 . 2]" 1
166 2 13 CYS H 2 35 CYS H 4.000 . 6.500 5.994 5.773 6.270 . 0 0 "[ . 1 . 2]" 1
167 2 14 LYS HA 2 14 LYS HB3 3.000 . 4.000 2.359 2.339 2.481 . 0 0 "[ . 1 . 2]" 1
168 2 14 LYS HA 2 14 LYS HB2 3.000 . 4.000 3.018 3.012 3.030 . 0 0 "[ . 1 . 2]" 1
169 2 14 LYS HA 2 14 LYS HD3 4.000 . 5.000 2.602 2.498 3.644 . 0 0 "[ . 1 . 2]" 1
170 2 14 LYS HA 2 14 LYS HD2 4.000 . 5.000 2.253 2.118 2.341 . 0 0 "[ . 1 . 2]" 1
171 2 14 LYS HA 2 14 LYS HE3 4.000 . 5.000 4.549 3.379 4.674 . 0 0 "[ . 1 . 2]" 1
172 2 14 LYS HA 2 14 LYS HE2 4.000 . 6.000 4.724 4.207 4.800 . 0 0 "[ . 1 . 2]" 1
173 2 14 LYS H 2 14 LYS HA 3.000 . 3.300 2.318 2.302 2.345 . 0 0 "[ . 1 . 2]" 1
174 2 14 LYS HA 2 15 GLY H 3.000 . 3.300 3.161 2.708 3.248 . 0 0 "[ . 1 . 2]" 1
175 2 14 LYS HB3 2 14 LYS HD3 3.000 . 4.000 3.500 3.429 3.663 . 0 0 "[ . 1 . 2]" 1
176 2 14 LYS HB3 2 14 LYS HD2 3.000 . 4.000 2.564 2.468 2.818 . 0 0 "[ . 1 . 2]" 1
177 2 14 LYS HB3 2 14 LYS HE3 4.000 . 5.000 3.906 2.319 4.018 . 0 0 "[ . 1 . 2]" 1
178 2 14 LYS HB3 2 14 LYS HE2 4.000 . 5.000 4.551 2.532 4.687 . 0 0 "[ . 1 . 2]" 1
179 2 14 LYS H 2 14 LYS HB3 3.000 . 4.000 4.008 3.969 4.070 0.070 17 0 "[ . 1 . 2]" 1
180 2 14 LYS HB3 2 15 GLY H 3.000 . 4.300 4.508 4.414 4.552 0.252 20 0 "[ . 1 . 2]" 1
181 2 14 LYS HB2 2 14 LYS HD3 4.000 . 5.000 3.825 3.782 4.261 . 0 0 "[ . 1 . 2]" 1
182 2 14 LYS HB2 2 14 LYS HD2 4.000 . 5.000 3.650 3.632 3.757 . 0 0 "[ . 1 . 2]" 1
183 2 14 LYS HB2 2 14 LYS HE3 4.000 . 5.500 4.697 3.934 4.789 . 0 0 "[ . 1 . 2]" 1
184 2 14 LYS H 2 14 LYS HB2 3.000 . 4.300 3.737 3.536 3.781 . 0 0 "[ . 1 . 2]" 1
185 2 14 LYS HB2 2 15 GLY H 3.000 . 4.300 3.833 3.754 4.089 . 0 0 "[ . 1 . 2]" 1
186 2 14 LYS HE3 2 14 LYS HG3 3.000 . 3.300 2.417 2.339 3.385 0.085 17 0 "[ . 1 . 2]" 1
187 2 14 LYS H 2 14 LYS HG3 4.000 . 5.000 4.294 4.213 4.395 . 0 0 "[ . 1 . 2]" 1
188 2 14 LYS HG3 2 15 GLY H 4.000 . 6.000 5.697 5.584 5.820 . 0 0 "[ . 1 . 2]" 1
189 2 14 LYS H 2 14 LYS HG2 4.000 . 5.000 3.024 2.659 3.196 . 0 0 "[ . 1 . 2]" 1
190 2 14 LYS HG2 2 15 GLY H 4.000 . 5.000 4.580 4.404 4.760 . 0 0 "[ . 1 . 2]" 1
191 2 14 LYS H 2 14 LYS HD3 4.000 . 5.000 2.232 2.027 4.461 . 0 0 "[ . 1 . 2]" 1
192 2 14 LYS HD2 2 14 LYS HG2 3.000 . 3.300 2.987 2.503 3.017 . 0 0 "[ . 1 . 2]" 1
193 2 14 LYS HD2 2 14 LYS HE3 3.000 . 3.300 2.472 2.308 2.500 . 0 0 "[ . 1 . 2]" 1
194 2 14 LYS H 2 14 LYS HD2 4.000 . 5.000 3.350 3.234 3.581 . 0 0 "[ . 1 . 2]" 1
195 2 14 LYS HD2 2 15 GLY H 4.000 . 5.000 5.176 4.912 5.235 0.235 1 0 "[ . 1 . 2]" 1
196 2 14 LYS H 2 14 LYS HE3 4.000 . 5.500 5.076 4.969 5.361 . 0 0 "[ . 1 . 2]" 1
197 2 14 LYS HE2 2 14 LYS HG3 4.000 . 5.000 2.785 2.293 2.861 . 0 0 "[ . 1 . 2]" 1
198 2 14 LYS HE2 2 14 LYS HG2 3.000 . 3.300 2.801 2.726 3.543 0.243 17 0 "[ . 1 . 2]" 1
199 2 14 LYS HD3 2 14 LYS HE2 3.000 . 3.300 2.472 2.443 2.681 . 0 0 "[ . 1 . 2]" 1
200 2 14 LYS H 2 14 LYS HE2 4.000 . 6.000 4.411 4.260 5.666 . 0 0 "[ . 1 . 2]" 1
201 2 14 LYS H 2 15 GLY HA3 4.000 . 5.000 4.855 4.557 5.036 0.036 19 0 "[ . 1 . 2]" 1
202 2 14 LYS H 2 15 GLY H 3.000 . 3.300 2.687 2.399 2.854 . 0 0 "[ . 1 . 2]" 1
203 2 14 LYS H 2 32 HIS HE1 4.000 . 5.000 5.078 5.002 5.169 0.169 7 0 "[ . 1 . 2]" 1
204 2 15 GLY H 2 15 GLY HA3 3.000 . 3.300 2.192 2.160 2.279 . 0 0 "[ . 1 . 2]" 1
205 2 15 GLY HA3 2 16 GLY H 3.000 . 3.300 2.479 2.405 2.789 . 0 0 "[ . 1 . 2]" 1
206 2 15 GLY H 2 15 GLY HA2 3.000 . 3.300 2.755 2.715 2.866 . 0 0 "[ . 1 . 2]" 1
207 2 15 GLY HA2 2 16 GLY H 3.000 . 3.300 2.315 1.841 2.404 . 0 0 "[ . 1 . 2]" 1
208 2 15 GLY H 2 16 GLY H 3.000 . 3.300 4.214 4.117 4.285 0.985 10 20 [*********+*********-] 1
209 2 15 GLY H 2 32 HIS HE1 3.000 . 3.300 3.033 2.846 3.241 . 0 0 "[ . 1 . 2]" 1
210 2 16 GLY H 2 16 GLY HA3 3.000 . 3.300 2.450 2.252 2.495 . 0 0 "[ . 1 . 2]" 1
211 2 16 GLY HA3 2 17 PHE H 3.000 . 4.000 3.342 3.305 3.384 . 0 0 "[ . 1 . 2]" 1
212 2 16 GLY H 2 16 GLY HA2 3.000 . 3.300 2.884 2.777 2.903 . 0 0 "[ . 1 . 2]" 1
213 2 16 GLY HA2 2 17 PHE H 3.000 . 3.300 2.145 2.088 2.202 . 0 0 "[ . 1 . 2]" 1
214 2 16 GLY H 2 17 PHE HB3 4.000 . 5.000 5.316 5.209 5.636 0.636 20 1 "[ . 1 . +]" 1
215 2 16 GLY H 2 17 PHE H 3.000 . 3.300 3.923 3.878 4.060 0.760 20 20 [************-******+] 1
216 2 16 GLY H 2 32 HIS HE1 3.000 . 3.300 3.647 3.505 3.955 0.655 20 1 "[ . 1 . +]" 1
217 2 17 PHE HA 2 17 PHE QD 4.000 . 5.000 3.503 3.481 3.514 . 0 0 "[ . 1 . 2]" 1
218 2 17 PHE HA 2 18 ALA MB 4.000 . 5.000 3.820 3.728 3.937 . 0 0 "[ . 1 . 2]" 1
219 2 17 PHE HA 2 18 ALA H 4.000 . 5.000 2.135 1.909 2.241 . 0 0 "[ . 1 . 2]" 1
220 2 17 PHE H 2 17 PHE HB3 3.000 . 3.300 3.339 3.256 3.405 0.105 5 0 "[ . 1 . 2]" 1
221 2 17 PHE HB3 2 18 ALA MB 4.000 . 6.000 5.066 4.833 5.670 . 0 0 "[ . 1 . 2]" 1
222 2 17 PHE HB3 2 18 ALA H 4.000 . 5.000 3.255 3.070 3.817 . 0 0 "[ . 1 . 2]" 1
223 2 17 PHE HB3 2 21 GLU H 4.000 . 5.000 5.181 4.751 5.360 0.360 19 0 "[ . 1 . 2]" 1
224 2 17 PHE HB3 2 23 ILE MG 4.000 . 6.500 4.801 4.373 5.067 . 0 0 "[ . 1 . 2]" 1
225 2 17 PHE HB3 2 23 ILE MD 4.000 . 6.000 4.937 4.453 5.175 . 0 0 "[ . 1 . 2]" 1
226 2 17 PHE H 2 17 PHE HB2 3.000 . 3.300 3.597 3.580 3.620 0.320 20 0 "[ . 1 . 2]" 1
227 2 17 PHE HB2 2 18 ALA MB 4.000 . 6.000 4.268 4.019 5.015 . 0 0 "[ . 1 . 2]" 1
228 2 17 PHE HB2 2 18 ALA H 3.000 . 3.300 2.380 2.147 3.201 . 0 0 "[ . 1 . 2]" 1
229 2 17 PHE HB2 2 23 ILE HB 4.000 . 5.000 2.907 2.351 3.113 . 0 0 "[ . 1 . 2]" 1
230 2 17 PHE HB2 2 23 ILE MG 4.000 . 5.000 3.712 3.241 3.883 . 0 0 "[ . 1 . 2]" 1
231 2 17 PHE HB2 2 23 ILE MD 4.000 . 5.000 3.993 3.307 4.276 . 0 0 "[ . 1 . 2]" 1
232 2 17 PHE H 2 17 PHE QD 3.000 . 4.000 1.750 1.683 1.822 0.117 9 0 "[ . 1 . 2]" 1
233 2 17 PHE QD 2 21 GLU H 4.000 . 6.000 5.434 5.223 5.503 . 0 0 "[ . 1 . 2]" 1
234 2 17 PHE QD 2 23 ILE H 3.000 . 3.300 4.096 3.905 4.197 0.897 5 20 [****+****-**********] 1
235 2 17 PHE QD 2 24 VAL H 4.000 . 5.500 4.526 4.278 4.869 . 0 0 "[ . 1 . 2]" 1
236 2 17 PHE QD 2 18 ALA H 3.000 . 3.300 3.931 3.858 4.087 0.787 15 20 [****-*********+*****] 1
237 2 17 PHE QD 2 23 ILE MG 4.000 . 6.000 3.937 3.850 4.045 . 0 0 "[ . 1 . 2]" 1
238 2 17 PHE QD 2 23 ILE MD 4.000 . 5.000 3.125 2.943 3.337 . 0 0 "[ . 1 . 2]" 1
239 2 17 PHE HE2 2 23 ILE H 4.000 . 5.000 5.245 5.183 5.348 0.348 15 0 "[ . 1 . 2]" 1
240 2 17 PHE HE2 2 24 VAL H 4.000 . 5.000 3.247 3.086 3.588 . 0 0 "[ . 1 . 2]" 1
241 2 17 PHE HE2 2 31 TYR HA 4.000 . 5.000 3.765 3.503 4.022 . 0 0 "[ . 1 . 2]" 1
242 2 17 PHE HE2 2 32 HIS H 3.000 . 4.300 3.313 3.136 3.508 . 0 0 "[ . 1 . 2]" 1
243 2 17 PHE HE1 2 18 ALA H 4.000 . 6.000 6.449 6.384 6.569 0.569 15 4 "[ . ** -+ 2]" 1
244 2 17 PHE HE1 2 23 ILE MD 4.000 . 5.000 2.659 2.336 2.910 . 0 0 "[ . 1 . 2]" 1
245 2 17 PHE H 2 18 ALA H 3.000 . 4.300 4.256 4.101 4.317 0.017 14 0 "[ . 1 . 2]" 1
246 2 17 PHE H 2 23 ILE MD 4.000 . 5.500 4.578 4.365 4.751 . 0 0 "[ . 1 . 2]" 1
247 2 17 PHE HZ 2 31 TYR H 3.000 . 4.000 4.156 4.068 4.237 0.237 7 0 "[ . 1 . 2]" 1
248 2 17 PHE HZ 2 32 HIS H 4.000 . 5.500 4.829 4.662 5.031 . 0 0 "[ . 1 . 2]" 1
249 2 18 ALA H 2 18 ALA HA 3.000 . 3.300 2.912 2.891 2.969 . 0 0 "[ . 1 . 2]" 1
250 2 18 ALA HA 2 19 PRO QD 4.000 . 4.300 1.914 1.883 1.962 . 0 0 "[ . 1 . 2]" 1
251 2 18 ALA HA 2 19 PRO QG 4.000 . 5.500 3.871 3.852 3.903 . 0 0 "[ . 1 . 2]" 1
252 2 18 ALA H 2 18 ALA MB 3.000 . 3.300 2.344 2.258 2.463 . 0 0 "[ . 1 . 2]" 1
253 2 18 ALA MB 2 19 PRO HA 4.000 . 5.000 4.224 4.038 4.313 . 0 0 "[ . 1 . 2]" 1
254 2 18 ALA MB 2 19 PRO HB3 4.000 . 5.500 5.179 4.978 5.333 . 0 0 "[ . 1 . 2]" 1
255 2 18 ALA MB 2 19 PRO HB2 4.000 . 6.000 5.783 5.739 5.839 . 0 0 "[ . 1 . 2]" 1
256 2 18 ALA MB 2 19 PRO QG 4.000 . 5.000 4.564 4.500 4.702 . 0 0 "[ . 1 . 2]" 1
257 2 18 ALA MB 2 19 PRO QD 3.000 . 3.300 3.066 2.979 3.201 . 0 0 "[ . 1 . 2]" 1
258 2 18 ALA MB 2 21 GLU H 4.000 . 6.500 4.260 3.925 5.546 . 0 0 "[ . 1 . 2]" 1
259 2 18 ALA H 2 19 PRO HA 4.000 . 5.000 3.623 3.316 3.728 . 0 0 "[ . 1 . 2]" 1
260 2 18 ALA H 2 19 PRO HB3 4.000 . 5.000 4.703 4.045 5.025 0.025 18 0 "[ . 1 . 2]" 1
261 2 18 ALA H 2 19 PRO QD 3.000 . 3.300 3.628 3.428 3.696 0.396 5 0 "[ . 1 . 2]" 1
262 2 18 ALA H 2 20 ALA H 3.000 . 4.300 4.532 4.322 4.966 0.666 15 4 "[ . *- *+ 2]" 1
263 2 18 ALA H 2 21 GLU HB3 4.000 . 6.500 4.461 4.090 5.117 . 0 0 "[ . 1 . 2]" 1
264 2 18 ALA H 2 21 GLU H 3.000 . 4.000 4.226 4.050 4.636 0.636 10 3 "[ . *+ - 2]" 1
265 2 18 ALA H 2 22 LYS H 4.000 . 5.000 4.406 4.024 5.445 0.445 9 0 "[ . 1 . 2]" 1
266 2 18 ALA H 2 23 ILE MG 4.000 . 5.000 5.117 4.891 5.315 0.315 9 0 "[ . 1 . 2]" 1
267 2 19 PRO HA 2 19 PRO HB3 3.000 . 3.300 2.201 2.177 2.215 . 0 0 "[ . 1 . 2]" 1
268 2 19 PRO HA 2 20 ALA H 3.000 . 3.300 2.372 1.733 2.581 0.067 9 0 "[ . 1 . 2]" 1
269 2 19 PRO HA 2 21 GLU H 4.000 . 5.500 2.379 1.830 2.609 . 0 0 "[ . 1 . 2]" 1
270 2 19 PRO HB3 2 20 ALA HA 4.000 . 6.000 5.461 4.520 5.753 . 0 0 "[ . 1 . 2]" 1
271 2 19 PRO HB3 2 20 ALA H 4.000 . 5.000 3.872 2.315 4.267 . 0 0 "[ . 1 . 2]" 1
272 2 19 PRO HB3 2 22 LYS HE2 4.000 . 7.000 7.238 6.669 7.479 0.479 18 0 "[ . 1 . 2]" 1
273 2 19 PRO HB2 2 20 ALA MB 3.000 . 4.300 4.362 3.669 4.554 0.254 8 0 "[ . 1 . 2]" 1
274 2 19 PRO HB2 2 20 ALA HA 4.000 . 5.000 4.297 3.093 4.665 . 0 0 "[ . 1 . 2]" 1
275 2 19 PRO HB2 2 20 ALA H 4.000 . 5.000 3.518 1.770 4.004 0.030 10 0 "[ . 1 . 2]" 1
276 2 19 PRO HB2 2 21 GLU H 4.000 . 5.500 4.293 2.838 4.753 . 0 0 "[ . 1 . 2]" 1
277 2 19 PRO QG 2 20 ALA H 3.000 . 3.300 3.717 3.450 3.836 0.536 8 5 "[ . + 1** . - *]" 1
278 2 19 PRO QD 2 20 ALA H 3.000 . 4.000 3.778 3.664 4.130 0.130 14 0 "[ . 1 . 2]" 1
279 2 19 PRO QD 2 21 GLU H 3.000 . 4.300 4.639 4.560 4.764 0.464 14 0 "[ . 1 . 2]" 1
280 2 20 ALA H 2 20 ALA HA 3.000 . 3.300 2.869 2.495 2.962 . 0 0 "[ . 1 . 2]" 1
281 2 20 ALA HA 2 21 GLU H 4.000 . 5.000 3.193 3.160 3.253 . 0 0 "[ . 1 . 2]" 1
282 2 20 ALA H 2 20 ALA MB 3.000 . 3.300 2.676 2.490 3.179 . 0 0 "[ . 1 . 2]" 1
283 2 20 ALA MB 2 21 GLU HB3 4.000 . 7.000 5.769 5.705 5.880 . 0 0 "[ . 1 . 2]" 1
284 2 20 ALA MB 2 21 GLU HG3 4.000 . 6.000 4.638 3.880 5.561 . 0 0 "[ . 1 . 2]" 1
285 2 20 ALA MB 2 21 GLU HG2 4.000 . 6.000 4.457 3.767 5.315 . 0 0 "[ . 1 . 2]" 1
286 2 20 ALA MB 2 21 GLU H 3.000 . 4.300 3.468 3.408 3.528 . 0 0 "[ . 1 . 2]" 1
287 2 20 ALA MB 2 23 ILE MG 4.000 . 5.000 4.342 3.743 4.712 . 0 0 "[ . 1 . 2]" 1
288 2 20 ALA H 2 21 GLU H 3.000 . 3.300 1.570 1.231 1.677 0.569 10 2 "[ . -+ . 2]" 1
289 2 20 ALA H 2 22 LYS H 3.000 . 4.000 4.408 4.078 4.617 0.617 13 8 "[ . **-**+ . * *]" 1
290 2 20 ALA H 2 23 ILE H 4.000 . 5.000 5.080 4.200 5.328 0.328 11 0 "[ . 1 . 2]" 1
291 2 21 GLU HA 2 21 GLU HB3 3.000 . 3.300 2.537 2.467 2.592 . 0 0 "[ . 1 . 2]" 1
292 2 21 GLU HA 2 21 GLU HB2 3.000 . 3.300 3.030 3.013 3.047 . 0 0 "[ . 1 . 2]" 1
293 2 21 GLU HA 2 21 GLU HG3 3.000 . 4.000 3.248 2.556 3.713 . 0 0 "[ . 1 . 2]" 1
294 2 21 GLU HA 2 21 GLU HG2 4.000 . 5.000 2.695 2.316 3.671 . 0 0 "[ . 1 . 2]" 1
295 2 21 GLU H 2 21 GLU HA 3.000 . 3.300 3.021 2.978 3.043 . 0 0 "[ . 1 . 2]" 1
296 2 21 GLU HA 2 22 LYS H 3.000 . 3.300 3.430 3.276 3.495 0.195 17 0 "[ . 1 . 2]" 1
297 2 21 GLU H 2 21 GLU HB3 3.000 . 4.000 3.621 3.576 3.664 . 0 0 "[ . 1 . 2]" 1
298 2 21 GLU HB3 2 21 GLU HG3 3.000 . 3.300 2.790 2.367 3.038 . 0 0 "[ . 1 . 2]" 1
299 2 21 GLU HB3 2 22 LYS HE2 4.000 . 5.000 3.526 2.257 5.485 0.485 13 0 "[ . 1 . 2]" 1
300 2 21 GLU HB3 2 22 LYS H 4.000 . 5.000 2.284 1.959 2.540 . 0 0 "[ . 1 . 2]" 1
301 2 21 GLU HB3 2 23 ILE H 4.000 . 5.500 5.425 5.270 5.530 0.030 2 0 "[ . 1 . 2]" 1
302 2 21 GLU H 2 21 GLU HB2 3.000 . 4.000 2.345 2.288 2.415 . 0 0 "[ . 1 . 2]" 1
303 2 21 GLU HB2 2 22 LYS H 4.000 . 5.000 1.781 1.734 1.848 0.066 2 0 "[ . 1 . 2]" 1
304 2 21 GLU HB2 2 23 ILE H 3.000 . 4.300 4.609 4.484 4.734 0.434 16 0 "[ . 1 . 2]" 1
305 2 21 GLU H 2 21 GLU HG3 4.000 . 5.000 3.350 2.438 4.185 . 0 0 "[ . 1 . 2]" 1
306 2 21 GLU HG3 2 22 LYS H 4.000 . 5.000 4.109 3.970 4.459 . 0 0 "[ . 1 . 2]" 1
307 2 21 GLU HB2 2 21 GLU HG2 3.000 . 3.300 2.803 2.423 3.047 . 0 0 "[ . 1 . 2]" 1
308 2 21 GLU H 2 21 GLU HG2 3.000 . 4.300 3.503 2.699 4.178 . 0 0 "[ . 1 . 2]" 1
309 2 21 GLU HG2 2 22 LYS H 4.000 . 5.000 4.243 4.077 4.437 . 0 0 "[ . 1 . 2]" 1
310 2 21 GLU H 2 22 LYS QB 4.000 . 6.000 5.333 5.025 5.616 . 0 0 "[ . 1 . 2]" 1
311 2 21 GLU H 2 22 LYS H 3.000 . 3.300 2.939 2.754 3.463 0.163 9 0 "[ . 1 . 2]" 1
312 2 21 GLU H 2 23 ILE MG 4.000 . 5.000 3.001 2.437 3.423 . 0 0 "[ . 1 . 2]" 1
313 2 21 GLU H 2 23 ILE H 3.000 . 3.300 4.040 3.964 4.249 0.949 10 20 [******-**+**********] 1
314 2 22 LYS H 2 22 LYS HA 3.000 . 3.300 2.887 2.761 3.002 . 0 0 "[ . 1 . 2]" 1
315 2 22 LYS HA 2 23 ILE H 3.000 . 4.300 1.942 1.867 2.038 . 0 0 "[ . 1 . 2]" 1
316 2 22 LYS H 2 22 LYS QB 3.000 . 4.000 3.073 2.402 3.384 . 0 0 "[ . 1 . 2]" 1
317 2 22 LYS QB 2 23 ILE H 3.000 . 4.300 3.600 3.468 3.796 . 0 0 "[ . 1 . 2]" 1
318 2 22 LYS H 2 22 LYS HD2 3.000 . 4.500 3.792 2.765 4.161 . 0 0 "[ . 1 . 2]" 1
319 2 22 LYS HD2 2 23 ILE H 4.000 . 5.000 5.076 4.913 5.293 0.293 15 0 "[ . 1 . 2]" 1
320 2 22 LYS H 2 22 LYS HE3 3.000 . 4.500 3.098 1.773 4.959 0.459 18 0 "[ . 1 . 2]" 1
321 2 22 LYS HE3 2 23 ILE H 3.000 . 4.500 4.336 4.035 4.999 0.499 9 0 "[ . 1 . 2]" 1
322 2 22 LYS H 2 22 LYS QG 3.000 . 4.000 3.097 2.367 4.211 0.211 13 0 "[ . 1 . 2]" 1
323 2 22 LYS QG 2 23 ILE H 3.000 . 4.300 4.147 3.582 4.457 0.157 15 0 "[ . 1 . 2]" 1
324 2 22 LYS H 2 23 ILE MG 4.000 . 5.000 3.722 3.355 4.132 . 0 0 "[ . 1 . 2]" 1
325 2 22 LYS H 2 23 ILE H 3.000 . 4.300 3.278 3.153 3.634 . 0 0 "[ . 1 . 2]" 1
326 2 22 LYS H 2 24 VAL MG2 4.000 . 6.500 6.108 5.954 6.356 . 0 0 "[ . 1 . 2]" 1
327 2 22 LYS H 2 32 HIS HA 4.000 . 6.000 6.073 5.728 6.239 0.239 15 0 "[ . 1 . 2]" 1
328 2 23 ILE HA 2 23 ILE HB 3.000 . 4.000 2.460 2.431 2.496 . 0 0 "[ . 1 . 2]" 1
329 2 23 ILE HA 2 23 ILE HG13 4.000 . 5.000 2.446 2.343 2.539 . 0 0 "[ . 1 . 2]" 1
330 2 23 ILE HA 2 23 ILE MD 4.000 . 5.000 3.733 3.591 3.811 . 0 0 "[ . 1 . 2]" 1
331 2 23 ILE HA 2 24 VAL MG2 4.000 . 5.000 3.450 3.340 3.687 . 0 0 "[ . 1 . 2]" 1
332 2 23 ILE HA 2 24 VAL H 4.000 . 5.000 2.322 2.194 2.364 . 0 0 "[ . 1 . 2]" 1
333 2 23 ILE HB 2 23 ILE MD 3.000 . 4.000 2.268 2.210 2.359 . 0 0 "[ . 1 . 2]" 1
334 2 23 ILE H 2 23 ILE HB 3.000 . 3.300 3.162 3.055 3.262 . 0 0 "[ . 1 . 2]" 1
335 2 23 ILE HB 2 24 VAL H 4.000 . 5.000 4.148 4.088 4.208 . 0 0 "[ . 1 . 2]" 1
336 2 23 ILE H 2 23 ILE MD 4.000 . 5.000 4.551 4.437 4.703 . 0 0 "[ . 1 . 2]" 1
337 2 23 ILE MD 2 24 VAL HA 4.000 . 6.500 5.024 4.814 5.204 . 0 0 "[ . 1 . 2]" 1
338 2 23 ILE MD 2 24 VAL H 3.000 . 4.300 4.098 3.991 4.192 . 0 0 "[ . 1 . 2]" 1
339 2 23 ILE MD 2 25 ASN HA 4.000 . 6.000 4.882 4.530 5.123 . 0 0 "[ . 1 . 2]" 1
340 2 23 ILE MD 2 25 ASN HD21 4.000 . 6.000 5.799 5.273 6.033 0.033 5 0 "[ . 1 . 2]" 1
341 2 23 ILE MD 2 25 ASN HD22 4.000 . 6.500 6.425 6.035 6.531 0.031 5 0 "[ . 1 . 2]" 1
342 2 23 ILE MD 2 30 LEU HA 4.000 . 5.000 3.893 3.765 4.162 . 0 0 "[ . 1 . 2]" 1
343 2 23 ILE MD 2 30 LEU HB3 3.000 . 3.300 2.229 2.142 2.407 . 0 0 "[ . 1 . 2]" 1
344 2 23 ILE MD 2 30 LEU HB2 4.000 . 5.000 3.220 2.904 3.415 . 0 0 "[ . 1 . 2]" 1
345 2 23 ILE MD 2 30 LEU HG 4.000 . 5.000 2.099 2.009 2.187 . 0 0 "[ . 1 . 2]" 1
346 2 23 ILE MD 2 30 LEU MD1 3.000 . 3.300 2.202 2.030 2.610 . 0 0 "[ . 1 . 2]" 1
347 2 23 ILE MD 2 30 LEU MD2 4.000 . 5.000 3.531 3.400 3.670 . 0 0 "[ . 1 . 2]" 1
348 2 23 ILE MD 2 30 LEU H 4.000 . 6.000 4.906 4.724 5.121 . 0 0 "[ . 1 . 2]" 1
349 2 23 ILE MD 2 31 TYR H 4.000 . 6.000 4.540 4.379 4.791 . 0 0 "[ . 1 . 2]" 1
350 2 23 ILE H 2 23 ILE HG13 3.000 . 4.300 4.522 4.442 4.552 0.252 5 0 "[ . 1 . 2]" 1
351 2 23 ILE HG13 2 24 VAL H 4.000 . 5.000 2.545 2.459 2.639 . 0 0 "[ . 1 . 2]" 1
352 2 23 ILE HA 2 23 ILE HG12 4.000 . 5.000 3.271 3.157 3.510 . 0 0 "[ . 1 . 2]" 1
353 2 23 ILE H 2 23 ILE HG12 3.000 . 4.300 4.265 4.178 4.394 0.094 9 0 "[ . 1 . 2]" 1
354 2 23 ILE HG12 2 30 LEU MD1 4.000 . 5.500 2.557 2.301 2.643 . 0 0 "[ . 1 . 2]" 1
355 2 23 ILE HG12 2 30 LEU MD2 4.000 . 6.800 5.078 4.858 5.217 . 0 0 "[ . 1 . 2]" 1
356 2 23 ILE HG13 2 23 ILE MG 3.000 . 4.300 3.147 3.120 3.178 . 0 0 "[ . 1 . 2]" 1
357 2 23 ILE HG12 2 23 ILE MG 3.000 . 4.300 2.270 2.169 2.349 . 0 0 "[ . 1 . 2]" 1
358 2 23 ILE H 2 23 ILE MG 3.000 . 4.300 2.045 1.826 2.232 . 0 0 "[ . 1 . 2]" 1
359 2 23 ILE MG 2 24 VAL MG1 4.000 . 6.800 5.100 4.945 5.312 . 0 0 "[ . 1 . 2]" 1
360 2 23 ILE MG 2 24 VAL H 4.000 . 5.000 3.870 3.759 4.087 . 0 0 "[ . 1 . 2]" 1
361 2 23 ILE MG 2 25 ASN H 3.000 . 4.500 4.644 4.542 4.839 0.339 14 0 "[ . 1 . 2]" 1
362 2 23 ILE MG 2 30 LEU MD1 4.000 . 5.000 3.896 3.732 4.009 . 0 0 "[ . 1 . 2]" 1
363 2 23 ILE H 2 24 VAL MG2 4.000 . 5.500 3.771 3.550 3.943 . 0 0 "[ . 1 . 2]" 1
364 2 23 ILE H 2 24 VAL H 4.000 . 5.000 4.350 4.279 4.425 . 0 0 "[ . 1 . 2]" 1
365 2 23 ILE H 2 31 TYR H 4.000 . 6.500 6.766 6.702 6.919 0.419 15 0 "[ . 1 . 2]" 1
366 2 23 ILE H 2 32 HIS HA 4.000 . 5.000 4.810 4.632 5.023 0.023 13 0 "[ . 1 . 2]" 1
367 2 23 ILE H 2 33 GLU H 4.000 . 6.000 5.189 4.933 5.494 . 0 0 "[ . 1 . 2]" 1
368 2 24 VAL HA 2 24 VAL MG2 3.000 . 3.300 2.410 2.331 2.501 . 0 0 "[ . 1 . 2]" 1
369 2 24 VAL H 2 24 VAL HA 3.000 . 3.300 2.985 2.967 2.993 . 0 0 "[ . 1 . 2]" 1
370 2 24 VAL HA 2 25 ASN H 3.000 . 3.300 2.096 2.073 2.156 . 0 0 "[ . 1 . 2]" 1
371 2 24 VAL HA 2 25 ASN HB3 4.000 . 5.000 4.657 4.583 4.729 . 0 0 "[ . 1 . 2]" 1
372 2 24 VAL HA 2 31 TYR HB2 4.000 . 6.000 5.446 5.032 6.111 0.111 7 0 "[ . 1 . 2]" 1
373 2 24 VAL H 2 24 VAL HB 3.000 . 3.300 2.795 2.673 2.866 . 0 0 "[ . 1 . 2]" 1
374 2 24 VAL HB 2 25 ASN H 3.000 . 4.300 4.082 3.966 4.159 . 0 0 "[ . 1 . 2]" 1
375 2 24 VAL HB 2 30 LEU HA 4.000 . 5.000 5.097 5.027 5.207 0.207 7 0 "[ . 1 . 2]" 1
376 2 24 VAL HB 2 31 TYR HB3 4.000 . 5.000 4.199 3.758 5.021 0.021 7 0 "[ . 1 . 2]" 1
377 2 24 VAL HB 2 31 TYR H 3.000 . 4.300 3.345 3.217 3.710 . 0 0 "[ . 1 . 2]" 1
378 2 24 VAL HB 2 32 HIS H 4.000 . 6.000 5.140 4.913 5.629 . 0 0 "[ . 1 . 2]" 1
379 2 24 VAL HB 2 33 GLU H 3.000 . 4.300 4.405 4.321 4.516 0.216 14 0 "[ . 1 . 2]" 1
380 2 24 VAL H 2 24 VAL MG1 4.000 . 5.000 3.928 3.864 3.963 . 0 0 "[ . 1 . 2]" 1
381 2 24 VAL MG1 2 25 ASN HA 4.000 . 5.500 4.123 3.915 4.349 . 0 0 "[ . 1 . 2]" 1
382 2 24 VAL MG1 2 25 ASN H 3.000 . 4.300 2.679 2.415 2.816 . 0 0 "[ . 1 . 2]" 1
383 2 24 VAL MG1 2 26 SER HB3 4.000 . 5.200 4.713 4.215 5.219 0.019 14 0 "[ . 1 . 2]" 1
384 2 24 VAL MG1 2 26 SER HB2 4.000 . 5.000 3.296 3.011 3.709 . 0 0 "[ . 1 . 2]" 1
385 2 24 VAL MG1 2 31 TYR HD1 4.000 . 5.500 4.605 4.235 5.332 . 0 0 "[ . 1 . 2]" 1
386 2 24 VAL MG1 2 31 TYR H 4.000 . 5.500 4.269 4.044 4.559 . 0 0 "[ . 1 . 2]" 1
387 2 24 VAL MG1 2 33 GLU QB 4.000 . 5.500 4.072 3.880 4.294 . 0 0 "[ . 1 . 2]" 1
388 2 24 VAL MG1 2 36 PHE HD1 4.000 . 5.500 4.172 3.833 4.743 . 0 0 "[ . 1 . 2]" 1
389 2 24 VAL MG1 2 36 PHE HE1 4.000 . 5.000 2.721 2.476 3.238 . 0 0 "[ . 1 . 2]" 1
390 2 24 VAL H 2 24 VAL MG2 3.000 . 3.300 2.722 2.537 2.922 . 0 0 "[ . 1 . 2]" 1
391 2 24 VAL MG2 2 25 ASN H 4.000 . 5.000 4.068 3.942 4.171 . 0 0 "[ . 1 . 2]" 1
392 2 24 VAL MG2 2 31 TYR H 4.000 . 5.000 4.350 4.149 4.647 . 0 0 "[ . 1 . 2]" 1
393 2 24 VAL MG2 2 33 GLU HA 3.000 . 3.300 2.733 2.283 3.271 . 0 0 "[ . 1 . 2]" 1
394 2 24 VAL MG2 2 33 GLU HG3 4.000 . 5.000 4.470 3.850 4.832 . 0 0 "[ . 1 . 2]" 1
395 2 24 VAL MG2 2 33 GLU HG2 3.000 . 4.300 3.444 2.816 3.822 . 0 0 "[ . 1 . 2]" 1
396 2 24 VAL MG2 2 33 GLU H 4.000 . 5.000 2.567 2.343 2.835 . 0 0 "[ . 1 . 2]" 1
397 2 24 VAL MG2 2 33 GLU QB 4.000 . 5.000 2.392 2.292 2.518 . 0 0 "[ . 1 . 2]" 1
398 2 24 VAL MG2 2 34 GLN H 4.000 . 5.000 4.374 3.989 4.789 . 0 0 "[ . 1 . 2]" 1
399 2 24 VAL MG2 2 36 PHE H 4.000 . 6.500 5.118 4.661 5.831 . 0 0 "[ . 1 . 2]" 1
400 2 24 VAL MG2 2 36 PHE HE1 4.000 . 5.000 3.593 3.491 3.731 . 0 0 "[ . 1 . 2]" 1
401 2 24 VAL MG2 2 36 PHE HD1 4.000 . 5.000 3.957 3.660 4.442 . 0 0 "[ . 1 . 2]" 1
402 2 24 VAL H 2 25 ASN H 3.000 . 4.000 4.217 4.190 4.261 0.261 5 0 "[ . 1 . 2]" 1
403 2 24 VAL H 2 30 LEU HA 3.000 . 4.000 3.956 3.878 4.039 0.039 14 0 "[ . 1 . 2]" 1
404 2 24 VAL H 2 30 LEU MD1 3.000 . 4.000 4.040 3.685 4.171 0.171 20 0 "[ . 1 . 2]" 1
405 2 24 VAL H 2 31 TYR HB3 4.000 . 6.000 5.069 4.866 5.344 . 0 0 "[ . 1 . 2]" 1
406 2 24 VAL H 2 31 TYR HB2 3.000 . 4.300 4.060 3.831 4.382 0.082 15 0 "[ . 1 . 2]" 1
407 2 24 VAL H 2 31 TYR H 3.000 . 4.300 2.475 2.365 2.646 . 0 0 "[ . 1 . 2]" 1
408 2 24 VAL H 2 33 GLU H 3.000 . 4.500 4.599 4.482 4.707 0.207 15 0 "[ . 1 . 2]" 1
409 2 25 ASN H 2 25 ASN HA 3.000 . 3.300 2.968 2.949 2.991 . 0 0 "[ . 1 . 2]" 1
410 2 25 ASN HA 2 26 SER H 3.000 . 4.000 2.202 2.177 2.215 . 0 0 "[ . 1 . 2]" 1
411 2 25 ASN HA 2 28 GLY H 4.000 . 5.000 4.421 4.214 4.882 . 0 0 "[ . 1 . 2]" 1
412 2 25 ASN HA 2 29 GLU H 4.000 . 5.000 4.311 4.086 4.524 . 0 0 "[ . 1 . 2]" 1
413 2 25 ASN HA 2 30 LEU HA 4.000 . 5.000 2.364 2.293 2.509 . 0 0 "[ . 1 . 2]" 1
414 2 25 ASN HA 2 30 LEU MD1 4.000 . 5.000 2.365 2.160 2.555 . 0 0 "[ . 1 . 2]" 1
415 2 25 ASN HA 2 30 LEU MD2 4.000 . 5.000 4.063 3.811 4.260 . 0 0 "[ . 1 . 2]" 1
416 2 25 ASN HA 2 31 TYR HD1 4.000 . 5.000 3.346 2.957 3.956 . 0 0 "[ . 1 . 2]" 1
417 2 25 ASN HA 2 25 ASN HB3 3.000 . 3.300 3.026 3.019 3.030 . 0 0 "[ . 1 . 2]" 1
418 2 25 ASN HB3 2 25 ASN HD21 3.000 . 3.300 3.392 3.333 3.449 0.149 14 0 "[ . 1 . 2]" 1
419 2 25 ASN HB3 2 25 ASN HD22 3.000 . 4.300 4.008 3.980 4.035 . 0 0 "[ . 1 . 2]" 1
420 2 25 ASN H 2 25 ASN HB3 3.000 . 4.300 2.612 2.554 2.694 . 0 0 "[ . 1 . 2]" 1
421 2 25 ASN HB3 2 26 SER HB3 4.000 . 6.500 6.497 6.443 6.558 0.058 15 0 "[ . 1 . 2]" 1
422 2 25 ASN HB3 2 30 LEU MD2 4.000 . 6.500 5.634 5.205 5.834 . 0 0 "[ . 1 . 2]" 1
423 2 25 ASN HB3 2 30 LEU MD1 4.000 . 5.000 3.613 3.360 3.732 . 0 0 "[ . 1 . 2]" 1
424 2 25 ASN HA 2 25 ASN HB2 3.000 . 4.000 2.528 2.496 2.554 . 0 0 "[ . 1 . 2]" 1
425 2 25 ASN HB2 2 25 ASN HD21 3.000 . 3.300 3.232 3.135 3.309 0.009 15 0 "[ . 1 . 2]" 1
426 2 25 ASN HB2 2 25 ASN HD22 3.000 . 4.300 3.931 3.888 3.969 . 0 0 "[ . 1 . 2]" 1
427 2 25 ASN H 2 25 ASN HB2 3.000 . 3.300 2.748 2.664 2.863 . 0 0 "[ . 1 . 2]" 1
428 2 25 ASN HB2 2 26 SER H 3.000 . 4.300 4.352 4.256 4.417 0.117 15 0 "[ . 1 . 2]" 1
429 2 25 ASN HB2 2 30 LEU HG 4.000 . 5.000 4.965 4.597 5.076 0.076 20 0 "[ . 1 . 2]" 1
430 2 25 ASN HB2 2 30 LEU MD1 3.000 . 3.300 2.309 2.052 2.400 . 0 0 "[ . 1 . 2]" 1
431 2 25 ASN H 2 25 ASN HD21 4.000 . 5.000 4.411 4.401 4.431 . 0 0 "[ . 1 . 2]" 1
432 2 25 ASN HD21 2 26 SER HA 4.000 . 5.000 4.054 3.865 4.239 . 0 0 "[ . 1 . 2]" 1
433 2 25 ASN HD21 2 26 SER H 3.000 . 3.300 1.760 1.743 1.799 0.057 9 0 "[ . 1 . 2]" 1
434 2 25 ASN HD21 2 28 GLY HA3 4.000 . 5.000 4.801 4.668 4.980 . 0 0 "[ . 1 . 2]" 1
435 2 25 ASN HD21 2 28 GLY H 3.000 . 3.300 2.737 2.492 3.314 0.014 14 0 "[ . 1 . 2]" 1
436 2 25 ASN HD21 2 29 GLU HA 4.000 . 6.000 4.286 4.030 4.463 . 0 0 "[ . 1 . 2]" 1
437 2 25 ASN HD21 2 29 GLU H 4.000 . 5.000 2.818 2.481 3.124 . 0 0 "[ . 1 . 2]" 1
438 2 25 ASN HD21 2 30 LEU MD1 4.000 . 5.000 2.642 2.225 2.858 . 0 0 "[ . 1 . 2]" 1
439 2 25 ASN HD21 2 30 LEU MD2 4.000 . 5.000 3.733 3.398 3.974 . 0 0 "[ . 1 . 2]" 1
440 2 25 ASN H 2 25 ASN HD22 4.000 . 6.000 5.718 5.705 5.735 . 0 0 "[ . 1 . 2]" 1
441 2 25 ASN HD22 2 26 SER HA 4.000 . 6.000 4.804 4.681 4.949 . 0 0 "[ . 1 . 2]" 1
442 2 25 ASN HD22 2 26 SER H 3.000 . 4.000 3.136 2.957 3.294 . 0 0 "[ . 1 . 2]" 1
443 2 25 ASN HD22 2 28 GLY HA3 3.000 . 4.300 3.323 3.155 3.638 . 0 0 "[ . 1 . 2]" 1
444 2 25 ASN HD22 2 28 GLY HA2 3.000 . 3.300 1.978 1.816 2.248 . 0 0 "[ . 1 . 2]" 1
445 2 25 ASN HD22 2 28 GLY H 3.000 . 4.000 2.182 1.884 2.757 . 0 0 "[ . 1 . 2]" 1
446 2 25 ASN HD22 2 29 GLU H 3.000 . 4.300 2.593 1.950 3.036 . 0 0 "[ . 1 . 2]" 1
447 2 25 ASN HD22 2 30 LEU MD1 4.000 . 5.000 3.171 2.916 3.304 . 0 0 "[ . 1 . 2]" 1
448 2 25 ASN H 2 26 SER HB2 4.000 . 5.000 5.060 4.918 5.152 0.152 14 0 "[ . 1 . 2]" 1
449 2 25 ASN H 2 26 SER H 3.000 . 4.300 4.461 4.404 4.513 0.213 14 0 "[ . 1 . 2]" 1
450 2 25 ASN H 2 30 LEU MD1 4.000 . 5.000 3.738 3.467 4.023 . 0 0 "[ . 1 . 2]" 1
451 2 25 ASN H 2 31 TYR HD1 4.000 . 6.000 5.381 5.024 6.006 0.006 10 0 "[ . 1 . 2]" 1
452 2 26 SER HA 2 26 SER HB2 3.000 . 4.300 2.586 2.526 2.630 . 0 0 "[ . 1 . 2]" 1
453 2 26 SER HA 2 27 ASN HA 4.000 . 5.000 4.291 4.268 4.310 . 0 0 "[ . 1 . 2]" 1
454 2 26 SER HA 2 27 ASN H 3.000 . 3.300 2.100 2.065 2.124 . 0 0 "[ . 1 . 2]" 1
455 2 26 SER HA 2 28 GLY H 4.000 . 5.000 4.068 3.924 4.404 . 0 0 "[ . 1 . 2]" 1
456 2 26 SER HA 2 29 GLU H 4.000 . 6.500 5.077 4.937 5.264 . 0 0 "[ . 1 . 2]" 1
457 2 26 SER H 2 26 SER HB3 3.000 . 4.000 2.875 2.808 2.995 . 0 0 "[ . 1 . 2]" 1
458 2 26 SER H 2 26 SER HB2 3.000 . 3.300 3.067 2.967 3.159 . 0 0 "[ . 1 . 2]" 1
459 2 26 SER HB2 2 27 ASN HB3 4.000 . 5.500 5.412 5.244 5.758 0.258 5 0 "[ . 1 . 2]" 1
460 2 26 SER HB2 2 27 ASN H 4.000 . 5.000 4.476 4.427 4.510 . 0 0 "[ . 1 . 2]" 1
461 2 26 SER HB2 2 31 TYR HD1 4.000 . 6.000 3.973 3.233 4.920 . 0 0 "[ . 1 . 2]" 1
462 2 26 SER H 2 27 ASN HB3 3.000 . 4.500 4.728 4.273 4.844 0.344 4 0 "[ . 1 . 2]" 1
463 2 26 SER H 2 27 ASN HA 4.000 . 5.000 5.391 5.350 5.453 0.453 15 0 "[ . 1 . 2]" 1
464 2 26 SER H 2 27 ASN H 3.000 . 3.300 3.681 3.671 3.692 0.392 9 0 "[ . 1 . 2]" 1
465 2 26 SER H 2 28 GLY H 3.000 . 3.300 2.961 2.808 3.227 . 0 0 "[ . 1 . 2]" 1
466 2 26 SER H 2 29 GLU H 3.000 . 4.300 3.077 2.885 3.434 . 0 0 "[ . 1 . 2]" 1
467 2 26 SER H 2 30 LEU MD1 3.000 . 4.300 3.859 3.498 4.055 . 0 0 "[ . 1 . 2]" 1
468 2 26 SER H 2 31 TYR HD1 3.000 . 4.300 3.080 2.697 3.482 . 0 0 "[ . 1 . 2]" 1
469 2 27 ASN HA 2 27 ASN HB3 3.000 . 3.300 2.801 2.660 2.996 . 0 0 "[ . 1 . 2]" 1
470 2 27 ASN HA 2 27 ASN HB2 3.000 . 3.300 2.347 2.295 2.457 . 0 0 "[ . 1 . 2]" 1
471 2 27 ASN HA 2 27 ASN HD21 4.000 . 5.000 4.091 2.018 4.598 . 0 0 "[ . 1 . 2]" 1
472 2 27 ASN H 2 27 ASN HA 3.000 . 3.300 2.321 2.275 2.395 . 0 0 "[ . 1 . 2]" 1
473 2 27 ASN HA 2 28 GLY HA3 4.000 . 5.000 4.639 4.584 4.749 . 0 0 "[ . 1 . 2]" 1
474 2 27 ASN HA 2 28 GLY HA2 4.000 . 5.000 4.832 4.699 4.916 . 0 0 "[ . 1 . 2]" 1
475 2 27 ASN HA 2 28 GLY H 4.000 . 5.000 3.489 3.463 3.533 . 0 0 "[ . 1 . 2]" 1
476 2 27 ASN HB3 2 27 ASN HD21 3.000 . 3.300 2.384 2.237 3.338 0.038 6 0 "[ . 1 . 2]" 1
477 2 27 ASN HB3 2 27 ASN HD22 3.000 . 4.300 3.563 3.504 3.975 . 0 0 "[ . 1 . 2]" 1
478 2 27 ASN H 2 27 ASN HB3 3.000 . 3.300 3.435 3.303 3.656 0.356 15 0 "[ . 1 . 2]" 1
479 2 27 ASN HB3 2 28 GLY HA3 4.000 . 5.500 5.148 4.374 5.632 0.132 7 0 "[ . 1 . 2]" 1
480 2 27 ASN HB3 2 28 GLY H 4.000 . 5.000 3.321 2.491 3.795 . 0 0 "[ . 1 . 2]" 1
481 2 27 ASN HB3 2 29 GLU HB2 4.000 . 5.000 4.627 3.696 5.034 0.034 12 0 "[ . 1 . 2]" 1
482 2 27 ASN HB3 2 29 GLU H 3.000 . 4.300 3.956 2.955 4.374 0.074 13 0 "[ . 1 . 2]" 1
483 2 27 ASN HB2 2 27 ASN HD21 3.000 . 3.300 3.374 3.294 3.524 0.224 9 0 "[ . 1 . 2]" 1
484 2 27 ASN HB2 2 27 ASN HD22 3.000 . 4.300 4.003 3.963 4.080 . 0 0 "[ . 1 . 2]" 1
485 2 27 ASN H 2 27 ASN HB2 3.000 . 4.000 3.803 3.322 4.080 0.080 13 0 "[ . 1 . 2]" 1
486 2 27 ASN HB2 2 28 GLY H 4.000 . 5.000 4.094 3.779 4.270 . 0 0 "[ . 1 . 2]" 1
487 2 27 ASN HB2 2 29 GLU H 4.000 . 5.200 4.914 4.603 5.175 . 0 0 "[ . 1 . 2]" 1
488 2 27 ASN HD22 2 28 GLY H 4.000 . 5.000 4.239 3.175 5.049 0.049 6 0 "[ . 1 . 2]" 1
489 2 27 ASN H 2 27 ASN HD21 4.000 . 5.000 4.818 4.100 5.065 0.065 14 0 "[ . 1 . 2]" 1
490 2 27 ASN H 2 28 GLY H 3.000 . 3.300 3.048 2.784 3.370 0.070 16 0 "[ . 1 . 2]" 1
491 2 27 ASN H 2 29 GLU H 3.000 . 4.300 4.493 4.378 4.611 0.311 14 0 "[ . 1 . 2]" 1
492 2 28 GLY H 2 28 GLY HA3 3.000 . 3.300 2.946 2.857 2.983 . 0 0 "[ . 1 . 2]" 1
493 2 28 GLY HA3 2 29 GLU H 4.000 . 5.000 3.287 3.239 3.384 . 0 0 "[ . 1 . 2]" 1
494 2 28 GLY H 2 28 GLY HA2 3.000 . 3.300 2.698 2.631 2.830 . 0 0 "[ . 1 . 2]" 1
495 2 28 GLY HA2 2 29 GLU H 4.000 . 5.000 3.306 3.248 3.335 . 0 0 "[ . 1 . 2]" 1
496 2 28 GLY H 2 29 GLU HB3 4.000 . 5.500 5.107 4.892 5.265 . 0 0 "[ . 1 . 2]" 1
497 2 28 GLY H 2 29 GLU HB2 4.000 . 5.000 3.810 3.485 4.047 . 0 0 "[ . 1 . 2]" 1
498 2 28 GLY H 2 29 GLU HG2 4.000 . 5.500 5.453 5.019 5.677 0.177 3 0 "[ . 1 . 2]" 1
499 2 28 GLY H 2 29 GLU H 3.000 . 3.300 1.631 1.478 1.738 0.322 12 0 "[ . 1 . 2]" 1
500 2 28 GLY H 2 30 LEU MD1 4.000 . 6.000 4.744 4.486 5.042 . 0 0 "[ . 1 . 2]" 1
501 2 28 GLY H 2 31 TYR HD1 4.000 . 5.500 5.392 5.108 5.521 0.021 7 0 "[ . 1 . 2]" 1
502 2 29 GLU HA 2 29 GLU HG2 4.000 . 5.000 2.498 2.235 3.610 . 0 0 "[ . 1 . 2]" 1
503 2 29 GLU HA 2 29 GLU HG3 4.000 . 5.000 3.165 2.475 3.598 . 0 0 "[ . 1 . 2]" 1
504 2 29 GLU HA 2 30 LEU MD1 4.000 . 6.000 3.809 3.585 4.085 . 0 0 "[ . 1 . 2]" 1
505 2 29 GLU HA 2 30 LEU MD2 4.000 . 5.000 2.269 2.208 2.378 . 0 0 "[ . 1 . 2]" 1
506 2 29 GLU HA 2 30 LEU H 3.000 . 3.300 2.428 2.250 2.492 . 0 0 "[ . 1 . 2]" 1
507 2 29 GLU HB3 2 29 GLU HG3 3.000 . 4.000 2.764 2.402 3.026 . 0 0 "[ . 1 . 2]" 1
508 2 29 GLU HB3 2 29 GLU HG2 3.000 . 4.000 2.752 2.514 3.032 . 0 0 "[ . 1 . 2]" 1
509 2 29 GLU H 2 29 GLU HB3 3.000 . 4.000 3.530 3.455 3.646 . 0 0 "[ . 1 . 2]" 1
510 2 29 GLU HB3 2 30 LEU H 4.000 . 5.000 2.960 2.865 3.071 . 0 0 "[ . 1 . 2]" 1
511 2 29 GLU HB3 2 31 TYR HD1 4.000 . 6.000 4.042 3.917 4.148 . 0 0 "[ . 1 . 2]" 1
512 2 29 GLU H 2 29 GLU HB2 3.000 . 3.300 2.367 2.238 2.505 . 0 0 "[ . 1 . 2]" 1
513 2 29 GLU HB2 2 30 LEU H 4.000 . 5.000 4.199 4.146 4.273 . 0 0 "[ . 1 . 2]" 1
514 2 29 GLU HB2 2 31 TYR HD1 4.000 . 5.000 4.503 4.314 4.591 . 0 0 "[ . 1 . 2]" 1
515 2 29 GLU H 2 29 GLU HG3 4.000 . 5.000 3.981 3.357 4.556 . 0 0 "[ . 1 . 2]" 1
516 2 29 GLU HG3 2 30 LEU H 4.000 . 6.000 4.767 3.723 5.055 . 0 0 "[ . 1 . 2]" 1
517 2 29 GLU H 2 29 GLU HG2 3.000 . 4.300 4.003 3.560 4.341 0.041 12 0 "[ . 1 . 2]" 1
518 2 29 GLU HG2 2 30 LEU H 4.000 . 5.000 4.190 3.617 4.954 . 0 0 "[ . 1 . 2]" 1
519 2 29 GLU H 2 30 LEU MD1 4.000 . 5.000 4.303 4.048 4.516 . 0 0 "[ . 1 . 2]" 1
520 2 29 GLU H 2 30 LEU H 3.000 . 4.500 4.514 4.351 4.561 0.061 20 0 "[ . 1 . 2]" 1
521 2 29 GLU H 2 31 TYR HD1 4.000 . 5.000 4.584 4.448 4.766 . 0 0 "[ . 1 . 2]" 1
522 2 29 GLU H 2 31 TYR H 4.000 . 6.000 6.353 6.290 6.440 0.440 20 0 "[ . 1 . 2]" 1
523 2 30 LEU HA 2 30 LEU HB3 3.000 . 3.300 2.433 2.401 2.483 . 0 0 "[ . 1 . 2]" 1
524 2 30 LEU HA 2 30 LEU MD1 4.000 . 5.000 2.074 2.057 2.089 . 0 0 "[ . 1 . 2]" 1
525 2 30 LEU HA 2 30 LEU MD2 4.000 . 5.000 3.107 2.989 3.199 . 0 0 "[ . 1 . 2]" 1
526 2 30 LEU H 2 30 LEU HA 3.000 . 3.300 2.927 2.900 2.944 . 0 0 "[ . 1 . 2]" 1
527 2 30 LEU HA 2 31 TYR H 4.000 . 5.000 2.173 2.080 2.218 . 0 0 "[ . 1 . 2]" 1
528 2 30 LEU HB3 2 30 LEU MD1 3.000 . 3.300 2.367 2.324 2.425 . 0 0 "[ . 1 . 2]" 1
529 2 30 LEU HB3 2 30 LEU MD2 3.000 . 4.000 3.214 3.206 3.221 . 0 0 "[ . 1 . 2]" 1
530 2 30 LEU H 2 30 LEU HB3 3.000 . 4.300 3.546 3.514 3.633 . 0 0 "[ . 1 . 2]" 1
531 2 30 LEU HB2 2 30 LEU MD1 3.000 . 4.300 3.219 3.210 3.227 . 0 0 "[ . 1 . 2]" 1
532 2 30 LEU HB2 2 30 LEU MD2 3.000 . 3.300 2.262 2.241 2.290 . 0 0 "[ . 1 . 2]" 1
533 2 30 LEU H 2 30 LEU HB2 3.000 . 3.300 2.404 2.306 2.536 . 0 0 "[ . 1 . 2]" 1
534 2 30 LEU HB2 2 31 TYR HA 4.000 . 5.500 4.760 4.648 4.875 . 0 0 "[ . 1 . 2]" 1
535 2 30 LEU HA 2 30 LEU HG 4.000 . 5.000 3.718 3.702 3.736 . 0 0 "[ . 1 . 2]" 1
536 2 30 LEU H 2 30 LEU HG 3.000 . 4.300 3.820 3.670 3.943 . 0 0 "[ . 1 . 2]" 1
537 2 30 LEU H 2 30 LEU MD1 3.000 . 4.000 3.304 3.020 3.463 . 0 0 "[ . 1 . 2]" 1
538 2 30 LEU MD1 2 31 TYR HE1 4.000 . 5.500 4.958 4.771 5.343 . 0 0 "[ . 1 . 2]" 1
539 2 30 LEU MD1 2 31 TYR HD1 4.000 . 5.000 4.245 4.115 4.434 . 0 0 "[ . 1 . 2]" 1
540 2 30 LEU MD1 2 31 TYR H 4.000 . 5.000 3.530 3.399 3.638 . 0 0 "[ . 1 . 2]" 1
541 2 30 LEU H 2 30 LEU MD2 3.000 . 3.300 1.766 1.672 1.838 0.128 5 0 "[ . 1 . 2]" 1
542 2 30 LEU MD2 2 31 TYR HD1 4.000 . 6.500 4.851 4.710 5.036 . 0 0 "[ . 1 . 2]" 1
543 2 30 LEU MD2 2 31 TYR HE1 4.000 . 5.500 4.783 4.680 5.007 . 0 0 "[ . 1 . 2]" 1
544 2 30 LEU MD2 2 31 TYR H 4.000 . 6.000 4.794 4.704 4.849 . 0 0 "[ . 1 . 2]" 1
545 2 30 LEU H 2 31 TYR HD1 3.000 . 4.000 4.176 4.125 4.274 0.274 20 0 "[ . 1 . 2]" 1
546 2 30 LEU H 2 31 TYR HE1 3.000 . 4.000 4.084 4.036 4.174 0.174 10 0 "[ . 1 . 2]" 1
547 2 30 LEU H 2 31 TYR H 3.000 . 4.300 4.460 4.433 4.485 0.185 1 0 "[ . 1 . 2]" 1
548 2 31 TYR HA 2 31 TYR HB3 3.000 . 4.000 2.484 2.445 2.521 . 0 0 "[ . 1 . 2]" 1
549 2 31 TYR HA 2 31 TYR HB2 3.000 . 4.000 2.991 2.975 3.010 . 0 0 "[ . 1 . 2]" 1
550 2 31 TYR HA 2 31 TYR HD1 4.000 . 5.000 3.783 3.679 3.868 . 0 0 "[ . 1 . 2]" 1
551 2 31 TYR H 2 31 TYR HA 3.000 . 3.300 2.983 2.961 2.992 . 0 0 "[ . 1 . 2]" 1
552 2 31 TYR HA 2 32 HIS H 4.000 . 5.000 2.218 2.166 2.336 . 0 0 "[ . 1 . 2]" 1
553 2 31 TYR HA 2 35 CYS HB2 4.000 . 5.000 2.927 2.785 3.055 . 0 0 "[ . 1 . 2]" 1
554 2 31 TYR H 2 31 TYR HB3 3.000 . 4.000 3.797 3.745 3.894 . 0 0 "[ . 1 . 2]" 1
555 2 31 TYR HB3 2 32 HIS H 3.000 . 3.300 3.218 2.994 3.389 0.089 8 0 "[ . 1 . 2]" 1
556 2 31 TYR H 2 31 TYR HB2 3.000 . 3.300 2.628 2.543 2.792 . 0 0 "[ . 1 . 2]" 1
557 2 31 TYR HB2 2 32 HIS H 3.000 . 4.300 4.063 3.952 4.167 . 0 0 "[ . 1 . 2]" 1
558 2 31 TYR HB2 2 33 GLU HA 4.000 . 5.000 5.021 4.888 5.127 0.127 5 0 "[ . 1 . 2]" 1
559 2 31 TYR H 2 31 TYR HD1 3.000 . 3.300 2.491 2.407 2.785 . 0 0 "[ . 1 . 2]" 1
560 2 31 TYR HD2 2 32 HIS H 3.000 . 4.300 4.561 4.422 4.650 0.350 14 0 "[ . 1 . 2]" 1
561 2 31 TYR H 2 31 TYR HE1 4.000 . 5.000 4.773 4.668 5.029 0.029 5 0 "[ . 1 . 2]" 1
562 2 31 TYR H 2 32 HIS H 3.000 . 4.300 4.296 4.256 4.336 0.036 13 0 "[ . 1 . 2]" 1
563 2 31 TYR H 2 36 PHE H 4.000 . 6.500 7.116 7.034 7.188 0.688 14 20 [****-********+******] 1
564 2 32 HIS HA 2 33 GLU QB 4.000 . 5.000 4.774 4.672 4.945 . 0 0 "[ . 1 . 2]" 1
565 2 32 HIS H 2 32 HIS HA 3.000 . 3.300 2.896 2.874 2.917 . 0 0 "[ . 1 . 2]" 1
566 2 32 HIS HA 2 33 GLU H 3.000 . 3.300 2.405 2.379 2.428 . 0 0 "[ . 1 . 2]" 1
567 2 32 HIS HA 2 34 GLN H 3.000 . 4.300 3.213 3.147 3.267 . 0 0 "[ . 1 . 2]" 1
568 2 32 HIS H 2 32 HIS QB 3.000 . 3.300 2.364 2.282 2.430 . 0 0 "[ . 1 . 2]" 1
569 2 32 HIS QB 2 34 GLN H 3.000 . 4.000 1.742 1.706 1.824 0.094 2 0 "[ . 1 . 2]" 1
570 2 32 HIS QB 2 35 CYS H 3.000 . 4.300 2.447 2.274 2.545 . 0 0 "[ . 1 . 2]" 1
571 2 32 HIS H 2 34 GLN H 3.000 . 3.300 3.944 3.875 4.027 0.727 7 20 [******+******-******] 1
572 2 32 HIS H 2 35 CYS HA 3.000 . 4.300 4.511 4.354 4.598 0.298 1 0 "[ . 1 . 2]" 1
573 2 32 HIS H 2 35 CYS HB3 3.000 . 3.300 3.142 2.969 3.262 . 0 0 "[ . 1 . 2]" 1
574 2 32 HIS H 2 35 CYS HB2 3.000 . 4.000 1.982 1.748 2.176 0.052 7 0 "[ . 1 . 2]" 1
575 2 32 HIS H 2 35 CYS H 3.000 . 3.300 3.271 3.188 3.345 0.045 19 0 "[ . 1 . 2]" 1
576 2 32 HIS H 2 36 PHE HD1 4.000 . 5.000 4.670 4.345 4.772 . 0 0 "[ . 1 . 2]" 1
577 2 32 HIS H 2 36 PHE H 3.000 . 4.300 4.772 4.727 4.846 0.546 7 1 "[ . + 1 . 2]" 1
578 2 33 GLU HA 2 33 GLU HG3 4.000 . 5.000 3.706 3.657 3.799 . 0 0 "[ . 1 . 2]" 1
579 2 33 GLU HA 2 33 GLU HG2 3.000 . 4.000 3.716 3.620 3.767 . 0 0 "[ . 1 . 2]" 1
580 2 33 GLU H 2 33 GLU HA 3.000 . 4.300 2.890 2.878 2.897 . 0 0 "[ . 1 . 2]" 1
581 2 33 GLU HA 2 34 GLN H 4.000 . 5.000 3.271 3.250 3.296 . 0 0 "[ . 1 . 2]" 1
582 2 33 GLU H 2 33 GLU QB 3.000 . 4.300 2.694 2.582 2.904 . 0 0 "[ . 1 . 2]" 1
583 2 33 GLU QB 2 34 GLN H 3.000 . 4.300 3.812 3.786 3.873 . 0 0 "[ . 1 . 2]" 1
584 2 33 GLU H 2 33 GLU HG3 3.000 . 4.300 2.828 2.122 3.404 . 0 0 "[ . 1 . 2]" 1
585 2 33 GLU HG3 2 34 GLN QG 4.000 . 5.000 4.597 2.496 5.122 0.122 8 0 "[ . 1 . 2]" 1
586 2 33 GLU HG3 2 34 GLN H 4.000 . 5.000 3.017 2.876 3.456 . 0 0 "[ . 1 . 2]" 1
587 2 33 GLU H 2 33 GLU HG2 3.000 . 3.300 1.890 1.807 1.978 . 0 0 "[ . 1 . 2]" 1
588 2 33 GLU HG2 2 34 GLN QG 4.000 . 6.500 5.655 2.838 6.318 . 0 0 "[ . 1 . 2]" 1
589 2 33 GLU HG2 2 34 GLN H 4.000 . 5.000 3.464 3.016 4.064 . 0 0 "[ . 1 . 2]" 1
590 2 33 GLU H 2 34 GLN H 3.000 . 3.300 2.496 2.444 2.567 . 0 0 "[ . 1 . 2]" 1
591 2 33 GLU H 2 35 CYS H 3.000 . 4.300 3.977 3.944 4.013 . 0 0 "[ . 1 . 2]" 1
592 2 33 GLU H 2 35 CYS HB2 4.000 . 5.000 4.929 4.875 4.986 . 0 0 "[ . 1 . 2]" 1
593 2 33 GLU H 2 36 PHE HD1 4.000 . 5.000 4.751 4.516 4.933 . 0 0 "[ . 1 . 2]" 1
594 2 34 GLN HA 2 34 GLN HB3 3.000 . 3.300 2.876 2.404 3.041 . 0 0 "[ . 1 . 2]" 1
595 2 34 GLN HA 2 34 GLN HB2 3.000 . 3.300 2.743 2.500 3.040 . 0 0 "[ . 1 . 2]" 1
596 2 34 GLN HA 2 34 GLN HE21 3.000 . 4.000 2.580 1.888 3.569 . 0 0 "[ . 1 . 2]" 1
597 2 34 GLN HA 2 34 GLN HE22 4.000 . 5.000 3.540 3.116 4.923 . 0 0 "[ . 1 . 2]" 1
598 2 34 GLN HA 2 34 GLN QG 3.000 . 4.300 2.543 2.283 2.974 . 0 0 "[ . 1 . 2]" 1
599 2 34 GLN H 2 34 GLN HA 3.000 . 3.300 2.964 2.952 2.978 . 0 0 "[ . 1 . 2]" 1
600 2 34 GLN HA 2 35 CYS H 3.000 . 4.300 3.344 3.288 3.391 . 0 0 "[ . 1 . 2]" 1
601 2 34 GLN HA 2 36 PHE H 4.000 . 5.000 3.552 3.498 3.648 . 0 0 "[ . 1 . 2]" 1
602 2 34 GLN HA 2 37 VAL MG1 4.000 . 5.000 3.200 2.774 3.606 . 0 0 "[ . 1 . 2]" 1
603 2 34 GLN HB3 2 34 GLN HE21 4.000 . 5.000 3.350 1.773 4.378 0.027 11 0 "[ . 1 . 2]" 1
604 2 34 GLN HB3 2 34 GLN HE22 4.000 . 5.000 4.563 3.261 5.080 0.080 20 0 "[ . 1 . 2]" 1
605 2 34 GLN H 2 34 GLN HB3 4.000 . 5.000 3.038 2.568 3.739 . 0 0 "[ . 1 . 2]" 1
606 2 34 GLN HB3 2 35 CYS H 3.000 . 4.300 3.499 3.074 4.243 . 0 0 "[ . 1 . 2]" 1
607 2 34 GLN H 2 34 GLN HB2 3.000 . 4.300 2.557 2.437 2.825 . 0 0 "[ . 1 . 2]" 1
608 2 34 GLN HB2 2 35 CYS H 3.000 . 4.300 3.757 3.123 4.135 . 0 0 "[ . 1 . 2]" 1
609 2 34 GLN HE21 2 34 GLN QG 3.000 . 3.300 2.774 2.210 2.978 . 0 0 "[ . 1 . 2]" 1
610 2 34 GLN H 2 34 GLN QG 4.000 . 5.000 3.804 2.276 4.158 . 0 0 "[ . 1 . 2]" 1
611 2 34 GLN QG 2 35 CYS H 4.000 . 5.000 4.402 3.972 4.762 . 0 0 "[ . 1 . 2]" 1
612 2 34 GLN QG 2 37 VAL MG1 4.000 . 6.000 3.898 3.318 5.490 . 0 0 "[ . 1 . 2]" 1
613 2 34 GLN H 2 34 GLN HE21 3.000 . 4.000 3.325 2.346 3.813 . 0 0 "[ . 1 . 2]" 1
614 2 34 GLN H 2 34 GLN HE22 4.000 . 5.000 4.763 3.246 5.114 0.114 13 0 "[ . 1 . 2]" 1
615 2 34 GLN H 2 35 CYS HB2 3.000 . 3.300 3.664 3.610 3.701 0.401 9 0 "[ . 1 . 2]" 1
616 2 34 GLN H 2 35 CYS HB3 4.000 . 5.000 5.248 5.208 5.275 0.275 5 0 "[ . 1 . 2]" 1
617 2 34 GLN H 2 35 CYS H 4.000 . 5.500 2.038 1.988 2.069 . 0 0 "[ . 1 . 2]" 1
618 2 34 GLN H 2 36 PHE H 3.000 . 3.300 3.270 3.206 3.421 0.121 7 0 "[ . 1 . 2]" 1
619 2 34 GLN H 2 36 PHE HD1 3.000 . 4.000 4.379 4.217 4.490 0.490 12 0 "[ . 1 . 2]" 1
620 2 34 GLN H 2 36 PHE HB2 3.000 . 4.500 4.434 4.317 4.519 0.019 5 0 "[ . 1 . 2]" 1
621 2 34 GLN H 2 37 VAL MG1 4.000 . 6.000 4.801 4.509 5.043 . 0 0 "[ . 1 . 2]" 1
622 2 35 CYS H 2 35 CYS HA 3.000 . 3.300 2.932 2.921 2.946 . 0 0 "[ . 1 . 2]" 1
623 2 35 CYS HA 2 37 VAL MG1 4.000 . 5.000 2.755 2.333 3.188 . 0 0 "[ . 1 . 2]" 1
624 2 35 CYS H 2 35 CYS HB3 3.000 . 3.300 3.394 3.356 3.428 0.128 14 0 "[ . 1 . 2]" 1
625 2 35 CYS H 2 36 PHE H 3.000 . 3.300 1.852 1.766 2.150 0.034 19 0 "[ . 1 . 2]" 1
626 2 35 CYS H 2 36 PHE HB2 3.000 . 4.300 3.876 3.791 4.028 . 0 0 "[ . 1 . 2]" 1
627 2 35 CYS H 2 36 PHE HD1 4.000 . 5.000 3.234 3.139 3.286 . 0 0 "[ . 1 . 2]" 1
628 2 35 CYS H 2 36 PHE HE1 4.000 . 5.000 5.267 5.091 5.362 0.362 1 0 "[ . 1 . 2]" 1
629 2 35 CYS H 2 37 VAL MG1 4.000 . 6.000 3.736 3.581 4.000 . 0 0 "[ . 1 . 2]" 1
630 2 35 CYS H 2 37 VAL H 4.000 . 5.000 5.231 4.860 5.390 0.390 1 0 "[ . 1 . 2]" 1
631 2 36 PHE HA 2 37 VAL MG2 4.000 . 5.000 4.220 3.976 4.487 . 0 0 "[ . 1 . 2]" 1
632 2 36 PHE HA 2 37 VAL H 3.000 . 3.300 2.219 2.102 2.528 . 0 0 "[ . 1 . 2]" 1
633 2 36 PHE HA 2 38 CYS H 4.000 . 6.000 6.011 5.826 6.119 0.119 20 0 "[ . 1 . 2]" 1
634 2 36 PHE HB3 2 37 VAL H 3.000 . 4.000 4.047 3.959 4.226 0.226 7 0 "[ . 1 . 2]" 1
635 2 36 PHE HD1 2 37 VAL H 3.000 . 4.300 4.691 4.542 4.866 0.566 9 2 "[ . +1 . - 2]" 1
636 2 36 PHE H 2 37 VAL H 3.000 . 4.300 3.773 3.292 3.905 . 0 0 "[ . 1 . 2]" 1
637 2 37 VAL HA 2 37 VAL HB 3.000 . 3.300 2.363 2.321 2.405 . 0 0 "[ . 1 . 2]" 1
638 2 37 VAL H 2 37 VAL HA 3.000 . 4.300 2.986 2.955 3.008 . 0 0 "[ . 1 . 2]" 1
639 2 37 VAL HA 2 38 CYS H 4.000 . 5.000 2.187 2.131 2.240 . 0 0 "[ . 1 . 2]" 1
640 2 37 VAL HA 2 44 GLN HB2 4.000 . 6.000 5.047 4.270 5.615 . 0 0 "[ . 1 . 2]" 1
641 2 37 VAL H 2 37 VAL HB 3.000 . 4.300 3.941 3.847 4.024 . 0 0 "[ . 1 . 2]" 1
642 2 37 VAL HB 2 38 CYS H 3.000 . 3.300 3.109 2.892 3.314 0.014 1 0 "[ . 1 . 2]" 1
643 2 37 VAL HB 2 42 PHE H 3.000 . 4.300 4.737 4.658 4.834 0.534 15 5 "[ . * * + - *2]" 1
644 2 37 VAL HB 2 42 PHE HA 4.000 . 5.500 2.140 2.058 2.260 . 0 0 "[ . 1 . 2]" 1
645 2 37 VAL HB 2 44 GLN QG 4.000 . 5.000 4.802 4.078 5.315 0.315 10 0 "[ . 1 . 2]" 1
646 2 37 VAL HB 2 44 GLN H 4.000 . 5.300 4.163 3.552 4.682 . 0 0 "[ . 1 . 2]" 1
647 2 37 VAL MG1 2 37 VAL MG2 2.500 . 3.300 2.073 2.037 2.089 . 0 0 "[ . 1 . 2]" 1
648 2 37 VAL H 2 37 VAL MG1 3.000 . 3.300 2.674 2.508 2.819 . 0 0 "[ . 1 . 2]" 1
649 2 37 VAL MG1 2 38 CYS H 3.000 . 4.300 4.112 4.049 4.173 . 0 0 "[ . 1 . 2]" 1
650 2 37 VAL MG1 2 42 PHE HA 4.000 . 5.000 3.834 3.774 3.926 . 0 0 "[ . 1 . 2]" 1
651 2 37 VAL MG1 2 42 PHE H 4.000 . 6.500 6.012 5.935 6.104 . 0 0 "[ . 1 . 2]" 1
652 2 37 VAL MG1 2 43 GLN H 4.000 . 6.000 4.792 4.679 4.910 . 0 0 "[ . 1 . 2]" 1
653 2 37 VAL MG1 2 44 GLN HA 4.000 . 5.000 2.420 2.112 2.832 . 0 0 "[ . 1 . 2]" 1
654 2 37 VAL MG1 2 44 GLN HB3 4.000 . 5.500 3.734 2.469 4.634 . 0 0 "[ . 1 . 2]" 1
655 2 37 VAL MG1 2 44 GLN HB2 4.000 . 6.000 4.105 2.999 5.094 . 0 0 "[ . 1 . 2]" 1
656 2 37 VAL MG1 2 44 GLN QG 3.000 . 4.300 3.096 2.259 4.211 . 0 0 "[ . 1 . 2]" 1
657 2 37 VAL MG1 2 44 GLN HE21 4.000 . 4.300 3.941 1.794 4.327 0.027 16 0 "[ . 1 . 2]" 1
658 2 37 VAL MG1 2 44 GLN HE22 4.000 . 5.500 4.884 1.863 5.798 0.298 10 0 "[ . 1 . 2]" 1
659 2 37 VAL MG1 2 44 GLN H 4.000 . 5.000 3.620 3.237 4.001 . 0 0 "[ . 1 . 2]" 1
660 2 37 VAL H 2 37 VAL MG2 3.000 . 4.300 2.349 2.176 2.677 . 0 0 "[ . 1 . 2]" 1
661 2 37 VAL MG2 2 38 CYS H 4.000 . 5.000 3.615 3.431 3.816 . 0 0 "[ . 1 . 2]" 1
662 2 37 VAL MG2 2 41 CYS H 4.000 . 6.000 6.039 5.889 6.139 0.139 5 0 "[ . 1 . 2]" 1
663 2 37 VAL MG2 2 42 PHE HA 4.000 . 5.000 2.466 2.200 2.824 . 0 0 "[ . 1 . 2]" 1
664 2 37 VAL MG2 2 42 PHE HD2 4.000 . 5.500 4.252 4.116 4.372 . 0 0 "[ . 1 . 2]" 1
665 2 37 VAL MG2 2 43 GLN H 4.000 . 5.500 4.543 4.211 4.953 . 0 0 "[ . 1 . 2]" 1
666 2 37 VAL H 2 38 CYS H 3.000 . 4.800 4.382 4.279 4.445 . 0 0 "[ . 1 . 2]" 1
667 2 38 CYS HB2 2 42 PHE HA 4.000 . 5.000 3.196 3.002 3.551 . 0 0 "[ . 1 . 2]" 1
668 2 38 CYS H 2 38 CYS HA 3.000 . 3.300 2.912 2.889 2.945 . 0 0 "[ . 1 . 2]" 1
669 2 38 CYS HA 2 42 PHE H 3.000 . 4.300 4.428 4.330 4.494 0.194 16 0 "[ . 1 . 2]" 1
670 2 38 CYS H 2 38 CYS HB3 3.000 . 4.300 3.318 3.143 3.439 . 0 0 "[ . 1 . 2]" 1
671 2 38 CYS HB3 2 41 CYS QB 3.000 . 4.300 2.161 1.961 2.750 . 0 0 "[ . 1 . 2]" 1
672 2 38 CYS HB3 2 41 CYS H 3.000 . 4.000 1.712 1.657 1.949 0.143 17 0 "[ . 1 . 2]" 1
673 2 38 CYS HB3 2 42 PHE H 3.000 . 3.300 2.936 2.609 3.324 0.024 14 0 "[ . 1 . 2]" 1
674 2 38 CYS HB3 2 43 GLN H 3.000 . 4.000 4.052 3.709 4.253 0.253 14 0 "[ . 1 . 2]" 1
675 2 38 CYS HB3 2 59 CYS H 4.000 . 5.500 3.832 3.406 4.195 . 0 0 "[ . 1 . 2]" 1
676 2 38 CYS H 2 38 CYS HB2 3.000 . 3.300 1.937 1.839 2.070 . 0 0 "[ . 1 . 2]" 1
677 2 38 CYS HB2 2 41 CYS H 3.000 . 4.300 3.032 2.701 3.250 . 0 0 "[ . 1 . 2]" 1
678 2 38 CYS HB2 2 42 PHE H 3.000 . 3.300 3.173 2.800 3.520 0.220 1 0 "[ . 1 . 2]" 1
679 2 38 CYS HB2 2 43 GLN H 3.000 . 3.300 2.942 2.754 3.299 . 0 0 "[ . 1 . 2]" 1
680 2 38 CYS HB2 2 59 CYS H 4.000 . 5.500 4.307 3.964 4.518 . 0 0 "[ . 1 . 2]" 1
681 2 38 CYS H 2 39 ALA H 3.000 . 4.500 4.648 4.614 4.686 0.186 13 0 "[ . 1 . 2]" 1
682 2 38 CYS H 2 40 GLN H 4.000 . 5.000 5.321 5.234 5.447 0.447 20 0 "[ . 1 . 2]" 1
683 2 38 CYS H 2 41 CYS H 3.000 . 4.300 4.598 4.545 4.672 0.372 12 0 "[ . 1 . 2]" 1
684 2 38 CYS H 2 42 PHE H 3.000 . 3.300 3.785 3.712 3.894 0.594 19 7 "[ . * ** * * - +2]" 1
685 2 38 CYS H 2 43 GLN H 3.000 . 4.300 2.874 2.717 3.014 . 0 0 "[ . 1 . 2]" 1
686 2 38 CYS H 2 44 GLN H 3.000 . 4.300 5.149 5.106 5.204 0.904 4 20 [***+**************-*] 1
687 2 38 CYS H 2 59 CYS H 4.000 . 6.500 5.597 5.140 6.050 . 0 0 "[ . 1 . 2]" 1
688 2 39 ALA H 2 39 ALA HA 3.000 . 3.300 2.863 2.832 2.892 . 0 0 "[ . 1 . 2]" 1
689 2 39 ALA HA 2 56 ARG HA 4.000 . 5.500 5.789 5.655 5.973 0.473 7 0 "[ . 1 . 2]" 1
690 2 39 ALA H 2 39 ALA MB 3.000 . 3.300 2.189 2.054 2.260 . 0 0 "[ . 1 . 2]" 1
691 2 39 ALA MB 2 40 GLN HG3 4.000 . 5.500 4.187 3.067 5.728 0.228 19 0 "[ . 1 . 2]" 1
692 2 39 ALA MB 2 40 GLN H 4.000 . 5.000 2.723 2.483 2.932 . 0 0 "[ . 1 . 2]" 1
693 2 39 ALA MB 2 42 PHE HD2 4.000 . 6.500 3.982 3.565 4.496 . 0 0 "[ . 1 . 2]" 1
694 2 39 ALA MB 2 56 ARG HA 3.000 . 3.300 3.331 3.126 3.630 0.330 6 0 "[ . 1 . 2]" 1
695 2 39 ALA MB 2 56 ARG H 4.000 . 6.000 5.480 5.248 5.806 . 0 0 "[ . 1 . 2]" 1
696 2 39 ALA MB 2 57 LYS HA 4.000 . 5.000 4.608 3.967 5.046 0.046 19 0 "[ . 1 . 2]" 1
697 2 39 ALA MB 2 57 LYS HE2 4.000 . 5.500 4.394 2.716 5.612 0.112 18 0 "[ . 1 . 2]" 1
698 2 39 ALA MB 2 57 LYS H 4.000 . 5.000 2.419 1.782 2.974 0.018 5 0 "[ . 1 . 2]" 1
699 2 39 ALA MB 2 58 TYR QE 4.000 . 5.000 3.145 2.274 3.714 . 0 0 "[ . 1 . 2]" 1
700 2 39 ALA H 2 40 GLN H 3.000 . 3.300 2.680 2.640 2.727 . 0 0 "[ . 1 . 2]" 1
701 2 39 ALA H 2 57 LYS H 3.000 . 4.000 3.392 3.027 3.962 . 0 0 "[ . 1 . 2]" 1
702 2 39 ALA H 2 57 LYS HA 4.000 . 5.000 4.702 3.953 5.048 0.048 9 0 "[ . 1 . 2]" 1
703 2 39 ALA H 2 58 TYR HA 3.000 . 3.300 3.262 2.704 3.552 0.252 2 0 "[ . 1 . 2]" 1
704 2 39 ALA H 2 58 TYR QD 3.000 . 4.300 4.043 3.295 4.453 0.153 5 0 "[ . 1 . 2]" 1
705 2 40 GLN H 2 40 GLN HA 3.000 . 3.300 2.992 2.961 3.004 . 0 0 "[ . 1 . 2]" 1
706 2 40 GLN HA 2 41 CYS H 3.000 . 3.300 3.337 3.308 3.377 0.077 6 0 "[ . 1 . 2]" 1
707 2 40 GLN HB3 2 41 CYS H 3.000 . 4.300 3.284 2.443 3.749 . 0 0 "[ . 1 . 2]" 1
708 2 40 GLN HB3 2 42 PHE H 4.000 . 6.000 5.063 4.575 5.397 . 0 0 "[ . 1 . 2]" 1
709 2 40 GLN H 2 40 GLN HB2 3.000 . 4.000 2.734 2.268 3.836 . 0 0 "[ . 1 . 2]" 1
710 2 40 GLN HB2 2 41 CYS H 3.000 . 4.500 2.850 2.333 3.918 . 0 0 "[ . 1 . 2]" 1
711 2 40 GLN H 2 40 GLN HE21 3.000 . 4.300 4.061 1.804 4.457 0.157 9 0 "[ . 1 . 2]" 1
712 2 40 GLN H 2 40 GLN HG3 3.000 . 4.000 3.411 2.151 4.379 0.379 7 0 "[ . 1 . 2]" 1
713 2 40 GLN HG3 2 41 CYS H 4.000 . 5.000 3.906 1.796 4.879 0.004 6 0 "[ . 1 . 2]" 1
714 2 40 GLN H 2 40 GLN HG2 3.000 . 4.000 3.718 2.605 4.248 0.248 11 0 "[ . 1 . 2]" 1
715 2 40 GLN HG2 2 41 CYS H 4.000 . 5.000 4.222 3.163 4.861 . 0 0 "[ . 1 . 2]" 1
716 2 40 GLN H 2 41 CYS HA 4.000 . 5.000 4.689 4.631 4.756 . 0 0 "[ . 1 . 2]" 1
717 2 40 GLN H 2 41 CYS H 3.000 . 4.300 1.861 1.820 1.914 . 0 0 "[ . 1 . 2]" 1
718 2 40 GLN H 2 42 PHE H 3.000 . 3.300 3.195 3.129 3.273 . 0 0 "[ . 1 . 2]" 1
719 2 40 GLN H 2 43 GLN H 4.000 . 5.500 5.601 5.543 5.666 0.166 15 0 "[ . 1 . 2]" 1
720 2 40 GLN H 2 58 TYR QD 3.000 . 4.300 3.315 2.638 4.029 . 0 0 "[ . 1 . 2]" 1
721 2 40 GLN H 2 58 TYR QE 4.000 . 5.000 3.711 2.551 4.826 . 0 0 "[ . 1 . 2]" 1
722 2 41 CYS H 2 41 CYS HA 3.000 . 3.300 2.908 2.900 2.917 . 0 0 "[ . 1 . 2]" 1
723 2 41 CYS QB 2 42 PHE H 4.000 . 5.000 3.721 3.601 3.916 . 0 0 "[ . 1 . 2]" 1
724 2 41 CYS QB 2 43 GLN H 4.000 . 5.000 3.459 3.323 4.042 . 0 0 "[ . 1 . 2]" 1
725 2 41 CYS H 2 42 PHE HD1 4.000 . 6.000 5.156 4.718 6.145 0.145 5 0 "[ . 1 . 2]" 1
726 2 41 CYS H 2 43 GLN H 3.000 . 4.300 4.335 4.282 4.388 0.088 15 0 "[ . 1 . 2]" 1
727 2 42 PHE HA 2 42 PHE HD2 4.000 . 5.000 4.423 4.222 4.579 . 0 0 "[ . 1 . 2]" 1
728 2 42 PHE HA 2 43 GLN H 4.000 . 5.000 2.479 2.399 2.578 . 0 0 "[ . 1 . 2]" 1
729 2 42 PHE H 2 42 PHE QB 3.000 . 4.000 2.896 2.833 2.937 . 0 0 "[ . 1 . 2]" 1
730 2 42 PHE QB 2 43 GLN H 3.000 . 4.300 3.617 3.530 3.695 . 0 0 "[ . 1 . 2]" 1
731 2 42 PHE QB 2 44 GLN H 4.000 . 5.000 5.600 5.498 5.653 0.653 9 19 "[********+** ****-***]" 1
732 2 42 PHE HD1 2 43 GLN H 4.000 . 5.000 3.042 2.677 3.599 . 0 0 "[ . 1 . 2]" 1
733 2 42 PHE H 2 42 PHE HE2 4.000 . 5.000 4.838 4.546 5.054 0.054 19 0 "[ . 1 . 2]" 1
734 2 42 PHE H 2 43 GLN H 3.000 . 3.300 2.783 2.707 2.874 . 0 0 "[ . 1 . 2]" 1
735 2 42 PHE H 2 58 TYR HA 4.000 . 6.000 6.045 5.729 6.225 0.225 5 0 "[ . 1 . 2]" 1
736 2 43 GLN HA 2 43 GLN HG2 4.000 . 5.000 3.290 2.324 4.278 . 0 0 "[ . 1 . 2]" 1
737 2 43 GLN HA 2 43 GLN HG3 4.000 . 5.000 3.433 2.349 3.800 . 0 0 "[ . 1 . 2]" 1
738 2 43 GLN H 2 43 GLN HA 3.000 . 3.300 3.015 2.992 3.040 . 0 0 "[ . 1 . 2]" 1
739 2 43 GLN HA 2 44 GLN H 3.000 . 3.300 2.189 2.132 2.284 . 0 0 "[ . 1 . 2]" 1
740 2 43 GLN H 2 43 GLN QB 3.000 . 3.300 2.703 2.423 3.241 . 0 0 "[ . 1 . 2]" 1
741 2 43 GLN HE22 2 44 GLN H 4.000 . 6.000 4.721 2.124 6.021 0.021 18 0 "[ . 1 . 2]" 1
742 2 43 GLN H 2 43 GLN HG3 4.000 . 5.000 3.767 2.241 4.915 . 0 0 "[ . 1 . 2]" 1
743 2 43 GLN HG2 2 44 GLN H 4.000 . 5.500 4.142 2.546 5.183 . 0 0 "[ . 1 . 2]" 1
744 2 43 GLN H 2 45 PHE H 4.000 . 5.000 5.704 5.528 5.853 0.853 14 20 [-************+******] 1
745 2 44 GLN HA 2 44 GLN HB3 3.000 . 4.000 2.541 2.314 3.017 . 0 0 "[ . 1 . 2]" 1
746 2 44 GLN HA 2 44 GLN HB2 3.000 . 4.000 2.803 2.389 3.033 . 0 0 "[ . 1 . 2]" 1
747 2 44 GLN H 2 44 GLN HA 3.000 . 3.300 2.746 2.725 2.780 . 0 0 "[ . 1 . 2]" 1
748 2 44 GLN HA 2 45 PHE H 4.000 . 5.000 2.139 2.082 2.209 . 0 0 "[ . 1 . 2]" 1
749 2 44 GLN HB3 2 44 GLN HE21 3.000 . 4.000 3.145 1.872 4.077 0.077 9 0 "[ . 1 . 2]" 1
750 2 44 GLN HB3 2 44 GLN HE22 4.000 . 5.000 4.262 3.274 5.045 0.045 4 0 "[ . 1 . 2]" 1
751 2 44 GLN H 2 44 GLN HB3 3.000 . 4.300 3.199 2.314 3.653 . 0 0 "[ . 1 . 2]" 1
752 2 44 GLN HB2 2 44 GLN QG 2.500 . 2.700 2.384 2.190 2.523 . 0 0 "[ . 1 . 2]" 1
753 2 44 GLN HB2 2 44 GLN HE21 3.000 . 4.300 2.933 1.745 4.270 0.055 10 0 "[ . 1 . 2]" 1
754 2 44 GLN H 2 44 GLN HB2 3.000 . 4.300 2.870 2.293 3.618 . 0 0 "[ . 1 . 2]" 1
755 2 44 GLN HE21 2 44 GLN QG 3.000 . 3.300 2.603 2.225 2.962 . 0 0 "[ . 1 . 2]" 1
756 2 44 GLN H 2 44 GLN QG 4.000 . 5.000 2.488 1.762 3.912 0.038 11 0 "[ . 1 . 2]" 1
757 2 45 PHE HA 2 45 PHE HD2 4.000 . 5.000 4.181 2.970 4.736 . 0 0 "[ . 1 . 2]" 1
758 2 45 PHE HA 2 45 PHE HE1 4.000 . 6.000 5.134 4.561 6.073 0.073 18 0 "[ . 1 . 2]" 1
759 2 45 PHE H 2 45 PHE HA 3.000 . 3.300 2.843 2.796 2.879 . 0 0 "[ . 1 . 2]" 1
760 2 45 PHE H 2 45 PHE HB3 3.000 . 4.300 2.882 2.424 3.680 . 0 0 "[ . 1 . 2]" 1
761 2 45 PHE H 2 45 PHE HB2 3.000 . 4.300 2.907 2.563 3.619 . 0 0 "[ . 1 . 2]" 1
762 2 45 PHE H 2 46 PRO HD3 3.000 . 4.300 4.563 4.445 4.623 0.323 5 0 "[ . 1 . 2]" 1
763 2 46 PRO HA 2 46 PRO HB3 3.000 . 3.300 2.284 2.265 2.297 . 0 0 "[ . 1 . 2]" 1
764 2 46 PRO HA 2 47 GLU HA 4.000 . 5.000 4.369 4.289 4.416 . 0 0 "[ . 1 . 2]" 1
765 2 46 PRO HA 2 47 GLU HG3 4.000 . 6.500 4.651 3.905 6.209 . 0 0 "[ . 1 . 2]" 1
766 2 46 PRO HA 2 47 GLU HG2 4.000 . 6.500 5.186 4.594 6.600 0.100 1 0 "[ . 1 . 2]" 1
767 2 46 PRO HA 2 47 GLU H 3.000 . 4.300 2.096 2.045 2.136 . 0 0 "[ . 1 . 2]" 1
768 2 46 PRO HB3 2 47 GLU H 4.000 . 5.000 3.751 3.573 3.856 . 0 0 "[ . 1 . 2]" 1
769 2 46 PRO HB2 2 47 GLU H 4.000 . 4.300 3.480 3.416 3.507 . 0 0 "[ . 1 . 2]" 1
770 2 46 PRO HG2 2 47 GLU H 4.000 . 5.000 5.202 5.070 5.278 0.278 15 0 "[ . 1 . 2]" 1
771 2 47 GLU HA 2 47 GLU HB3 3.000 . 3.300 2.511 2.382 3.020 . 0 0 "[ . 1 . 2]" 1
772 2 47 GLU HA 2 47 GLU HB2 3.000 . 3.300 2.792 2.234 3.037 . 0 0 "[ . 1 . 2]" 1
773 2 47 GLU HA 2 47 GLU HG3 3.000 . 4.000 3.248 2.321 3.665 . 0 0 "[ . 1 . 2]" 1
774 2 47 GLU HA 2 47 GLU HG2 3.000 . 4.000 3.102 2.324 4.215 0.215 11 0 "[ . 1 . 2]" 1
775 2 47 GLU H 2 47 GLU HA 3.000 . 3.300 2.300 2.252 2.324 . 0 0 "[ . 1 . 2]" 1
776 2 47 GLU HA 2 48 GLY H 4.000 . 5.000 3.056 2.981 3.115 . 0 0 "[ . 1 . 2]" 1
777 2 47 GLU H 2 47 GLU HB3 3.000 . 4.300 3.807 3.102 4.154 . 0 0 "[ . 1 . 2]" 1
778 2 47 GLU HB3 2 48 GLY H 3.000 . 4.300 4.233 3.633 4.390 0.090 6 0 "[ . 1 . 2]" 1
779 2 47 GLU H 2 47 GLU HB2 3.000 . 4.000 3.727 3.172 4.041 0.041 13 0 "[ . 1 . 2]" 1
780 2 47 GLU HB2 2 48 GLY H 3.000 . 4.000 3.871 3.515 4.459 0.459 11 0 "[ . 1 . 2]" 1
781 2 47 GLU HB3 2 47 GLU HG3 2.500 . 3.000 2.923 2.387 3.027 0.027 4 0 "[ . 1 . 2]" 1
782 2 47 GLU HB2 2 47 GLU HG3 3.000 . 3.300 2.591 2.384 3.022 . 0 0 "[ . 1 . 2]" 1
783 2 47 GLU H 2 47 GLU HG3 3.000 . 4.300 3.541 3.047 4.313 0.013 1 0 "[ . 1 . 2]" 1
784 2 47 GLU HG3 2 48 GLY H 4.000 . 5.000 4.206 3.334 5.087 0.087 1 0 "[ . 1 . 2]" 1
785 2 47 GLU H 2 47 GLU HG2 4.000 . 5.000 3.813 3.079 5.043 0.043 11 0 "[ . 1 . 2]" 1
786 2 47 GLU HG2 2 48 GLY H 4.000 . 5.000 4.770 4.147 5.463 0.463 5 0 "[ . 1 . 2]" 1
787 2 47 GLU H 2 48 GLY HA3 3.000 . 4.300 4.750 4.677 4.812 0.512 14 2 "[ . 1 - +. 2]" 1
788 2 47 GLU H 2 48 GLY HA2 3.000 . 4.300 4.536 4.436 4.602 0.302 6 0 "[ . 1 . 2]" 1
789 2 47 GLU H 2 48 GLY H 3.000 . 4.500 2.373 2.318 2.425 . 0 0 "[ . 1 . 2]" 1
790 2 48 GLY H 2 48 GLY HA3 3.000 . 3.300 2.782 2.760 2.799 . 0 0 "[ . 1 . 2]" 1
791 2 48 GLY HA3 2 49 LEU H 4.000 . 5.000 3.450 3.394 3.508 . 0 0 "[ . 1 . 2]" 1
792 2 48 GLY H 2 48 GLY HA2 3.000 . 3.300 2.273 2.239 2.292 . 0 0 "[ . 1 . 2]" 1
793 2 48 GLY HA2 2 49 LEU H 4.000 . 5.000 3.320 3.245 3.391 . 0 0 "[ . 1 . 2]" 1
794 2 48 GLY H 2 49 LEU HB3 4.000 . 6.500 5.850 5.225 6.623 0.123 1 0 "[ . 1 . 2]" 1
795 2 48 GLY H 2 49 LEU HB2 4.000 . 6.500 5.697 5.095 6.699 0.199 4 0 "[ . 1 . 2]" 1
796 2 48 GLY H 2 49 LEU MD2 4.000 . 7.000 5.929 3.378 7.037 0.037 5 0 "[ . 1 . 2]" 1
797 2 48 GLY H 2 49 LEU H 3.000 . 4.500 3.009 2.874 3.214 . 0 0 "[ . 1 . 2]" 1
798 2 49 LEU HA 2 49 LEU HB3 3.000 . 3.300 2.822 2.367 3.026 . 0 0 "[ . 1 . 2]" 1
799 2 49 LEU HA 2 49 LEU HB2 3.000 . 3.300 2.635 2.310 3.031 . 0 0 "[ . 1 . 2]" 1
800 2 49 LEU HA 2 49 LEU HG 4.000 . 5.000 2.824 2.368 3.709 . 0 0 "[ . 1 . 2]" 1
801 2 49 LEU HA 2 49 LEU MD1 4.000 . 5.000 3.036 2.225 4.109 . 0 0 "[ . 1 . 2]" 1
802 2 49 LEU HA 2 49 LEU MD2 4.000 . 5.000 3.364 2.168 3.988 . 0 0 "[ . 1 . 2]" 1
803 2 49 LEU H 2 49 LEU HA 3.000 . 4.300 2.986 2.951 3.015 . 0 0 "[ . 1 . 2]" 1
804 2 49 LEU HA 2 50 PHE QD 4.000 . 5.000 5.330 5.156 5.571 0.571 1 2 "[+ .- 1 . 2]" 1
805 2 49 LEU HA 2 50 PHE H 3.000 . 3.300 1.994 1.929 2.065 . 0 0 "[ . 1 . 2]" 1
806 2 49 LEU HB3 2 49 LEU MD1 3.000 . 4.000 2.827 2.327 3.198 . 0 0 "[ . 1 . 2]" 1
807 2 49 LEU HB3 2 49 LEU MD2 3.000 . 4.000 2.337 2.164 3.221 . 0 0 "[ . 1 . 2]" 1
808 2 49 LEU H 2 49 LEU HB3 3.000 . 4.300 2.931 2.546 3.637 . 0 0 "[ . 1 . 2]" 1
809 2 49 LEU HB3 2 50 PHE H 3.000 . 4.000 3.989 3.394 4.268 0.268 2 0 "[ . 1 . 2]" 1
810 2 49 LEU HB2 2 49 LEU MD1 3.000 . 4.000 2.324 2.193 3.207 . 0 0 "[ . 1 . 2]" 1
811 2 49 LEU HB2 2 49 LEU MD2 3.000 . 4.000 2.785 2.242 3.213 . 0 0 "[ . 1 . 2]" 1
812 2 49 LEU H 2 49 LEU HB2 3.000 . 4.300 2.822 2.340 3.765 . 0 0 "[ . 1 . 2]" 1
813 2 49 LEU HB2 2 50 PHE H 3.000 . 4.300 4.105 3.197 4.432 0.132 7 0 "[ . 1 . 2]" 1
814 2 49 LEU H 2 49 LEU MD1 4.000 . 6.000 3.806 2.201 4.427 . 0 0 "[ . 1 . 2]" 1
815 2 49 LEU MD1 2 50 PHE H 3.000 . 4.800 3.993 2.001 4.975 0.175 4 0 "[ . 1 . 2]" 1
816 2 49 LEU MD2 2 50 PHE H 4.000 . 5.000 4.014 2.047 5.211 0.211 8 0 "[ . 1 . 2]" 1
817 2 49 LEU HB3 2 49 LEU HG 3.000 . 3.300 2.762 2.403 3.039 . 0 0 "[ . 1 . 2]" 1
818 2 49 LEU HB2 2 49 LEU HG 3.000 . 3.300 2.781 2.435 3.035 . 0 0 "[ . 1 . 2]" 1
819 2 49 LEU H 2 49 LEU HG 4.000 . 5.500 4.063 1.881 4.806 . 0 0 "[ . 1 . 2]" 1
820 2 49 LEU HG 2 50 PHE H 3.000 . 4.500 3.628 2.690 4.643 0.143 15 0 "[ . 1 . 2]" 1
821 2 49 LEU H 2 50 PHE H 3.000 . 4.300 4.380 4.337 4.442 0.142 12 0 "[ . 1 . 2]" 1
822 2 50 PHE H 2 50 PHE HA 3.000 . 3.300 2.970 2.951 2.986 . 0 0 "[ . 1 . 2]" 1
823 2 50 PHE HE1 2 53 PHE H 4.000 . 6.000 5.897 5.265 6.388 0.388 19 0 "[ . 1 . 2]" 1
824 2 50 PHE H 2 51 TYR QD 4.000 . 6.000 5.200 4.266 5.926 . 0 0 "[ . 1 . 2]" 1
825 2 50 PHE HZ 2 58 TYR H 4.000 . 5.000 3.118 1.939 5.110 0.110 9 0 "[ . 1 . 2]" 1
826 2 50 PHE HZ 2 59 CYS H 4.000 . 5.500 5.696 5.338 5.984 0.484 16 0 "[ . 1 . 2]" 1
827 2 51 TYR HA 2 51 TYR HE2 4.000 . 6.500 5.510 4.809 5.834 . 0 0 "[ . 1 . 2]" 1
828 2 51 TYR HA 2 52 GLU HG3 4.000 . 6.500 5.576 4.509 6.449 . 0 0 "[ . 1 . 2]" 1
829 2 51 TYR HA 2 52 GLU H 3.000 . 4.300 2.119 1.990 2.202 . 0 0 "[ . 1 . 2]" 1
830 2 51 TYR HA 2 53 PHE QD 4.000 . 5.500 5.039 4.452 6.434 0.934 14 2 "[ . -1 +. 2]" 1
831 2 51 TYR H 2 51 TYR HB3 3.000 . 4.300 3.628 3.019 3.851 . 0 0 "[ . 1 . 2]" 1
832 2 51 TYR H 2 51 TYR HB2 3.000 . 4.300 2.797 2.534 3.990 . 0 0 "[ . 1 . 2]" 1
833 2 51 TYR HB2 2 52 GLU H 4.000 . 5.000 4.286 3.580 4.496 . 0 0 "[ . 1 . 2]" 1
834 2 51 TYR QD 2 52 GLU H 4.000 . 6.000 3.377 2.279 4.299 . 0 0 "[ . 1 . 2]" 1
835 2 51 TYR H 2 51 TYR QD 4.000 . 5.000 3.721 2.502 4.340 . 0 0 "[ . 1 . 2]" 1
836 2 51 TYR H 2 51 TYR HE2 4.000 . 6.500 6.273 5.265 7.322 0.822 11 3 "[ . * 1+ - . 2]" 1
837 2 51 TYR H 2 52 GLU H 3.000 . 3.300 4.060 3.960 4.138 0.838 20 20 [***********-*******+] 1
838 2 51 TYR H 2 58 TYR QD 4.000 . 6.000 5.943 5.730 6.215 0.215 11 0 "[ . 1 . 2]" 1
839 2 51 TYR H 2 59 CYS H 4.000 . 6.500 4.857 4.460 5.600 . 0 0 "[ . 1 . 2]" 1
840 2 52 GLU HA 2 52 GLU HG3 4.000 . 5.000 3.799 2.432 4.277 . 0 0 "[ . 1 . 2]" 1
841 2 52 GLU HA 2 52 GLU HG2 4.000 . 5.000 3.722 3.558 4.265 . 0 0 "[ . 1 . 2]" 1
842 2 52 GLU HA 2 53 PHE H 4.000 . 5.000 2.251 2.109 2.437 . 0 0 "[ . 1 . 2]" 1
843 2 52 GLU H 2 52 GLU HB3 3.000 . 4.000 2.673 2.188 3.044 . 0 0 "[ . 1 . 2]" 1
844 2 52 GLU HB3 2 53 PHE H 3.000 . 4.300 4.236 3.953 4.397 0.097 20 0 "[ . 1 . 2]" 1
845 2 52 GLU H 2 52 GLU HB2 4.000 . 5.000 3.600 2.692 3.757 . 0 0 "[ . 1 . 2]" 1
846 2 52 GLU HB2 2 53 PHE H 3.000 . 4.300 3.275 2.960 4.245 . 0 0 "[ . 1 . 2]" 1
847 2 52 GLU HB2 2 57 LYS HA 4.000 . 5.000 3.293 2.310 4.036 . 0 0 "[ . 1 . 2]" 1
848 2 52 GLU HB2 2 58 TYR H 4.000 . 5.000 4.785 3.766 5.239 0.239 9 0 "[ . 1 . 2]" 1
849 2 52 GLU H 2 52 GLU HG3 3.000 . 4.000 3.559 2.516 4.410 0.410 20 0 "[ . 1 . 2]" 1
850 2 52 GLU HG3 2 53 PHE HA 4.000 . 6.000 4.352 3.438 5.379 . 0 0 "[ . 1 . 2]" 1
851 2 52 GLU HG3 2 53 PHE H 4.000 . 5.000 4.319 2.470 5.200 0.200 5 0 "[ . 1 . 2]" 1
852 2 52 GLU H 2 52 GLU HG2 3.000 . 4.300 3.031 1.800 4.567 0.267 18 0 "[ . 1 . 2]" 1
853 2 52 GLU HG2 2 53 PHE HA 4.000 . 5.000 4.360 3.430 5.206 0.206 7 0 "[ . 1 . 2]" 1
854 2 52 GLU HG2 2 53 PHE H 4.000 . 5.000 4.391 3.704 5.023 0.023 7 0 "[ . 1 . 2]" 1
855 2 52 GLU H 2 53 PHE H 4.000 . 5.000 4.607 4.462 4.698 . 0 0 "[ . 1 . 2]" 1
856 2 52 GLU H 2 53 PHE QD 4.000 . 5.500 4.341 3.772 5.618 0.118 14 0 "[ . 1 . 2]" 1
857 2 52 GLU H 2 57 LYS HB2 4.000 . 6.000 6.251 6.040 6.601 0.601 5 1 "[ + 1 . 2]" 1
858 2 53 PHE HA 2 53 PHE HB3 3.000 . 3.300 2.688 2.522 3.003 . 0 0 "[ . 1 . 2]" 1
859 2 53 PHE HA 2 53 PHE HB2 3.000 . 3.300 2.954 2.651 3.006 . 0 0 "[ . 1 . 2]" 1
860 2 53 PHE HA 2 54 GLU HA 4.000 . 5.000 4.288 4.228 4.421 . 0 0 "[ . 1 . 2]" 1
861 2 53 PHE HA 2 54 GLU H 3.000 . 3.300 2.076 2.043 2.149 . 0 0 "[ . 1 . 2]" 1
862 2 53 PHE HA 2 55 GLY H 3.000 . 4.800 4.172 3.677 4.917 0.117 14 0 "[ . 1 . 2]" 1
863 2 53 PHE H 2 53 PHE HB3 3.000 . 4.300 3.711 2.946 3.985 . 0 0 "[ . 1 . 2]" 1
864 2 53 PHE HB3 2 56 ARG HD3 4.000 . 5.000 4.311 2.907 4.920 . 0 0 "[ . 1 . 2]" 1
865 2 53 PHE HB3 2 56 ARG HD2 4.000 . 6.000 5.340 4.318 6.027 0.027 3 0 "[ . 1 . 2]" 1
866 2 53 PHE HB2 2 56 ARG HD3 3.000 . 4.300 4.597 4.489 4.751 0.451 3 0 "[ . 1 . 2]" 1
867 2 53 PHE HB2 2 56 ARG HD2 4.000 . 6.000 5.841 5.127 6.109 0.109 18 0 "[ . 1 . 2]" 1
868 2 53 PHE H 2 53 PHE QD 4.000 . 5.000 3.623 3.262 4.286 . 0 0 "[ . 1 . 2]" 1
869 2 53 PHE QE 2 54 GLU H 4.000 . 5.500 5.237 4.549 5.421 . 0 0 "[ . 1 . 2]" 1
870 2 53 PHE H 2 54 GLU HA 4.000 . 5.500 5.783 5.620 5.862 0.362 17 0 "[ . 1 . 2]" 1
871 2 53 PHE H 2 54 GLU H 3.000 . 4.300 4.230 4.024 4.298 . 0 0 "[ . 1 . 2]" 1
872 2 53 PHE H 2 55 GLY H 4.000 . 5.000 4.475 3.724 4.986 . 0 0 "[ . 1 . 2]" 1
873 2 53 PHE H 2 56 ARG H 3.000 . 4.300 3.778 3.256 4.091 . 0 0 "[ . 1 . 2]" 1
874 2 53 PHE H 2 56 ARG HB2 4.000 . 5.000 4.368 3.892 5.244 0.244 2 0 "[ . 1 . 2]" 1
875 2 53 PHE H 2 57 LYS H 4.000 . 5.000 4.935 4.553 5.122 0.122 16 0 "[ . 1 . 2]" 1
876 2 53 PHE H 2 57 LYS HA 3.000 . 3.300 2.905 2.328 3.405 0.105 5 0 "[ . 1 . 2]" 1
877 2 53 PHE H 2 58 TYR QD 4.000 . 5.000 3.524 2.761 4.267 . 0 0 "[ . 1 . 2]" 1
878 2 53 PHE H 2 58 TYR QE 4.000 . 5.500 4.338 3.552 5.500 . 0 0 "[ . 1 . 2]" 1
879 2 53 PHE H 2 63 PHE QD 4.000 . 5.000 4.847 3.809 5.511 0.511 19 1 "[ . 1 . +2]" 1
880 2 53 PHE H 2 67 PHE QD 4.000 . 6.000 6.445 5.796 6.792 0.792 19 9 "[ * .** *1** *. - +2]" 1
881 2 53 PHE H 2 67 PHE QE 4.000 . 6.000 5.713 4.865 6.261 0.261 14 0 "[ . 1 . 2]" 1
882 2 54 GLU HA 2 54 GLU HB3 3.000 . 3.300 2.715 2.425 2.997 . 0 0 "[ . 1 . 2]" 1
883 2 54 GLU H 2 54 GLU HA 3.000 . 3.300 2.283 2.263 2.325 . 0 0 "[ . 1 . 2]" 1
884 2 54 GLU H 2 54 GLU HB3 3.000 . 4.000 3.858 3.640 4.018 0.018 3 0 "[ . 1 . 2]" 1
885 2 54 GLU HB3 2 55 GLY H 3.000 . 4.500 4.343 4.214 4.460 . 0 0 "[ . 1 . 2]" 1
886 2 54 GLU HB2 2 55 GLY H 3.000 . 4.800 4.477 4.203 4.717 . 0 0 "[ . 1 . 2]" 1
887 2 54 GLU H 2 54 GLU HG2 3.000 . 4.800 3.431 2.323 4.755 . 0 0 "[ . 1 . 2]" 1
888 2 54 GLU HG2 2 55 GLY H 3.000 . 4.800 4.822 4.560 4.979 0.179 2 0 "[ . 1 . 2]" 1
889 2 54 GLU H 2 55 GLY H 3.000 . 4.300 3.200 2.959 3.429 . 0 0 "[ . 1 . 2]" 1
890 2 54 GLU H 2 56 ARG H 3.000 . 4.300 4.438 4.344 4.556 0.256 5 0 "[ . 1 . 2]" 1
891 2 55 GLY H 2 55 GLY HA3 3.000 . 3.300 2.939 2.918 2.954 . 0 0 "[ . 1 . 2]" 1
892 2 55 GLY HA3 2 56 ARG H 3.000 . 3.300 3.135 3.046 3.330 0.030 3 0 "[ . 1 . 2]" 1
893 2 55 GLY H 2 55 GLY HA2 3.000 . 3.300 2.377 2.341 2.392 . 0 0 "[ . 1 . 2]" 1
894 2 55 GLY HA2 2 56 ARG H 3.000 . 3.300 3.375 3.269 3.499 0.199 5 0 "[ . 1 . 2]" 1
895 2 55 GLY H 2 56 ARG HB2 4.000 . 5.500 5.751 5.522 6.350 0.850 5 4 "[ *- + 1 * . 2]" 1
896 2 55 GLY H 2 56 ARG H 3.000 . 3.300 2.741 2.485 2.903 . 0 0 "[ . 1 . 2]" 1
897 2 56 ARG HA 2 56 ARG HG3 4.000 . 5.000 3.180 2.825 4.272 . 0 0 "[ . 1 . 2]" 1
898 2 56 ARG HA 2 56 ARG HG2 4.000 . 5.000 3.658 3.494 3.815 . 0 0 "[ . 1 . 2]" 1
899 2 56 ARG HA 2 56 ARG HD3 4.000 . 5.500 4.549 4.312 5.237 . 0 0 "[ . 1 . 2]" 1
900 2 56 ARG HA 2 57 LYS HD2 4.000 . 6.000 3.745 2.398 5.615 . 0 0 "[ . 1 . 2]" 1
901 2 56 ARG HB3 2 56 ARG HD3 4.000 . 5.000 3.535 3.413 3.700 . 0 0 "[ . 1 . 2]" 1
902 2 56 ARG H 2 56 ARG HB3 3.000 . 4.300 3.661 2.747 3.841 . 0 0 "[ . 1 . 2]" 1
903 2 56 ARG HB3 2 57 LYS H 3.000 . 4.300 3.183 2.893 3.945 . 0 0 "[ . 1 . 2]" 1
904 2 56 ARG H 2 56 ARG HB2 3.000 . 4.000 3.086 2.825 3.695 . 0 0 "[ . 1 . 2]" 1
905 2 56 ARG HB2 2 57 LYS H 3.000 . 4.300 3.300 2.676 3.575 . 0 0 "[ . 1 . 2]" 1
906 2 56 ARG H 2 56 ARG HG3 3.000 . 4.300 2.780 2.078 3.728 . 0 0 "[ . 1 . 2]" 1
907 2 56 ARG H 2 56 ARG HG2 3.000 . 4.300 3.602 2.345 3.992 . 0 0 "[ . 1 . 2]" 1
908 2 56 ARG HG2 2 57 LYS H 4.000 . 5.000 4.938 3.953 5.216 0.216 1 0 "[ . 1 . 2]" 1
909 2 56 ARG H 2 57 LYS HA 4.000 . 5.000 4.804 4.615 5.045 0.045 5 0 "[ . 1 . 2]" 1
910 2 56 ARG H 2 57 LYS H 3.000 . 4.300 4.472 4.423 4.519 0.219 19 0 "[ . 1 . 2]" 1
911 2 57 LYS HA 2 57 LYS HE3 4.000 . 5.000 4.873 4.121 5.375 0.375 14 0 "[ . 1 . 2]" 1
912 2 57 LYS HA 2 57 LYS HE2 4.000 . 5.500 5.367 3.750 5.927 0.427 14 0 "[ . 1 . 2]" 1
913 2 57 LYS HA 2 58 TYR H 3.000 . 3.300 2.226 2.083 2.356 . 0 0 "[ . 1 . 2]" 1
914 2 57 LYS H 2 57 LYS HB3 3.000 . 4.300 3.542 3.134 3.832 . 0 0 "[ . 1 . 2]" 1
915 2 57 LYS H 2 57 LYS HB2 3.000 . 4.300 3.314 2.624 3.691 . 0 0 "[ . 1 . 2]" 1
916 2 57 LYS HB2 2 58 TYR H 3.000 . 4.300 3.702 3.433 4.186 . 0 0 "[ . 1 . 2]" 1
917 2 57 LYS H 2 57 LYS HG2 3.000 . 4.300 3.103 1.705 4.327 0.095 8 0 "[ . 1 . 2]" 1
918 2 57 LYS HD3 2 57 LYS HE3 3.000 . 3.300 2.822 2.306 3.031 . 0 0 "[ . 1 . 2]" 1
919 2 57 LYS H 2 57 LYS HD3 4.000 . 5.500 2.931 1.774 4.496 0.026 7 0 "[ . 1 . 2]" 1
920 2 57 LYS HD2 2 57 LYS HE3 3.000 . 3.300 2.705 2.330 3.032 . 0 0 "[ . 1 . 2]" 1
921 2 57 LYS H 2 57 LYS HD2 4.000 . 5.500 2.734 1.758 4.209 0.042 4 0 "[ . 1 . 2]" 1
922 2 57 LYS H 2 57 LYS HE2 4.000 . 5.000 4.124 3.386 5.020 0.020 8 0 "[ . 1 . 2]" 1
923 2 57 LYS H 2 58 TYR HA 4.000 . 5.000 5.077 4.985 5.312 0.312 5 0 "[ . 1 . 2]" 1
924 2 58 TYR HA 2 58 TYR HB2 3.000 . 3.300 3.016 2.994 3.037 . 0 0 "[ . 1 . 2]" 1
925 2 58 TYR H 2 58 TYR HA 3.000 . 3.300 2.993 2.969 3.022 . 0 0 "[ . 1 . 2]" 1
926 2 58 TYR HA 2 59 CYS H 4.000 . 5.000 2.380 2.281 2.476 . 0 0 "[ . 1 . 2]" 1
927 2 58 TYR H 2 58 TYR HB3 3.000 . 4.300 3.798 3.704 3.926 . 0 0 "[ . 1 . 2]" 1
928 2 58 TYR H 2 58 TYR HB2 3.000 . 3.300 2.689 2.490 2.899 . 0 0 "[ . 1 . 2]" 1
929 2 58 TYR H 2 58 TYR QD 3.000 . 3.300 3.024 2.569 3.339 0.039 5 0 "[ . 1 . 2]" 1
930 2 58 TYR QD 2 59 CYS H 4.000 . 5.000 3.938 3.648 4.410 . 0 0 "[ . 1 . 2]" 1
931 2 58 TYR QD 2 62 ASP H 4.000 . 5.500 5.102 4.642 5.516 0.016 18 0 "[ . 1 . 2]" 1
932 2 58 TYR H 2 58 TYR QE 4.000 . 5.000 4.894 4.555 5.062 0.062 5 0 "[ . 1 . 2]" 1
933 2 58 TYR HB3 2 63 PHE H 3.000 . 3.500 2.841 2.556 3.188 . 0 0 "[ . 1 . 2]" 1
934 2 58 TYR QD 2 63 PHE H 4.000 . 5.000 4.488 4.319 4.706 . 0 0 "[ . 1 . 2]" 1
935 2 58 TYR QE 2 63 PHE H 4.000 . 7.000 6.227 5.997 6.439 . 0 0 "[ . 1 . 2]" 1
936 2 59 CYS HA 2 60 GLU H 3.000 . 3.300 2.544 2.354 2.664 . 0 0 "[ . 1 . 2]" 1
937 2 59 CYS HA 2 60 GLU HB2 4.000 . 6.000 5.909 5.831 5.992 . 0 0 "[ . 1 . 2]" 1
938 2 59 CYS HA 2 61 HIS H 4.000 . 5.000 4.217 4.021 4.363 . 0 0 "[ . 1 . 2]" 1
939 2 59 CYS H 2 59 CYS HB3 3.000 . 4.300 3.193 2.859 3.699 . 0 0 "[ . 1 . 2]" 1
940 2 59 CYS HB3 2 60 GLU H 3.000 . 4.000 3.388 2.432 3.846 . 0 0 "[ . 1 . 2]" 1
941 2 59 CYS HB3 2 61 HIS H 3.000 . 4.300 3.961 2.773 4.497 0.197 14 0 "[ . 1 . 2]" 1
942 2 59 CYS H 2 59 CYS HB2 3.000 . 3.500 3.374 2.592 3.676 0.176 10 0 "[ . 1 . 2]" 1
943 2 59 CYS HB2 2 60 GLU H 3.000 . 3.300 2.769 2.397 3.503 0.203 2 0 "[ . 1 . 2]" 1
944 2 59 CYS HB2 2 61 HIS H 3.000 . 4.300 2.806 2.593 3.020 . 0 0 "[ . 1 . 2]" 1
945 2 59 CYS H 2 61 HIS HB3 3.000 . 4.800 4.847 4.649 4.924 0.124 3 0 "[ . 1 . 2]" 1
946 2 59 CYS H 2 61 HIS HB2 4.000 . 6.500 6.532 6.356 6.603 0.103 3 0 "[ . 1 . 2]" 1
947 2 59 CYS H 2 61 HIS H 4.000 . 5.000 4.870 4.677 5.052 0.052 3 0 "[ . 1 . 2]" 1
948 2 59 CYS H 2 62 ASP H 4.000 . 5.000 3.582 3.393 3.956 . 0 0 "[ . 1 . 2]" 1
949 2 60 GLU HA 2 60 GLU HG3 4.000 . 5.000 3.647 3.607 3.691 . 0 0 "[ . 1 . 2]" 1
950 2 60 GLU H 2 60 GLU HA 3.000 . 4.300 2.772 2.738 2.804 . 0 0 "[ . 1 . 2]" 1
951 2 60 GLU HA 2 61 HIS H 3.000 . 3.300 3.397 3.369 3.424 0.124 19 0 "[ . 1 . 2]" 1
952 2 60 GLU HA 2 62 ASP H 3.000 . 4.300 4.512 4.355 4.589 0.289 3 0 "[ . 1 . 2]" 1
953 2 60 GLU H 2 60 GLU HB3 3.000 . 4.000 2.470 2.382 2.559 . 0 0 "[ . 1 . 2]" 1
954 2 60 GLU HB3 2 61 HIS H 3.000 . 4.300 3.743 3.592 3.906 . 0 0 "[ . 1 . 2]" 1
955 2 60 GLU H 2 60 GLU HB2 3.000 . 4.300 3.587 3.529 3.624 . 0 0 "[ . 1 . 2]" 1
956 2 60 GLU HB2 2 61 HIS H 3.000 . 4.300 3.744 3.650 3.877 . 0 0 "[ . 1 . 2]" 1
957 2 60 GLU HB2 2 62 ASP H 4.000 . 5.500 5.838 5.741 5.919 0.419 10 0 "[ . 1 . 2]" 1
958 2 60 GLU H 2 60 GLU HG3 3.000 . 3.300 3.498 3.380 3.626 0.326 8 0 "[ . 1 . 2]" 1
959 2 60 GLU HG3 2 61 HIS H 3.000 . 3.300 2.301 2.209 2.480 . 0 0 "[ . 1 . 2]" 1
960 2 60 GLU HG3 2 63 PHE H 4.000 . 5.050 5.284 5.076 5.611 0.561 7 1 "[ . + 1 . 2]" 1
961 2 60 GLU HG3 2 64 GLN H 3.000 . 4.300 4.646 4.482 4.809 0.509 4 1 "[ +. 1 . 2]" 1
962 2 60 GLU H 2 60 GLU HG2 3.000 . 3.300 2.270 2.139 2.478 . 0 0 "[ . 1 . 2]" 1
963 2 60 GLU H 2 61 HIS HA 3.000 . 4.800 5.130 5.090 5.184 0.384 8 0 "[ . 1 . 2]" 1
964 2 60 GLU H 2 61 HIS HB3 3.000 . 4.300 4.425 4.292 4.507 0.207 17 0 "[ . 1 . 2]" 1
965 2 60 GLU H 2 61 HIS H 3.000 . 4.000 2.541 2.460 2.591 . 0 0 "[ . 1 . 2]" 1
966 2 60 GLU H 2 62 ASP H 3.000 . 4.300 4.530 4.368 4.658 0.358 6 0 "[ . 1 . 2]" 1
967 2 60 GLU H 2 64 GLN H 4.000 . 6.000 5.560 5.295 5.953 . 0 0 "[ . 1 . 2]" 1
968 2 60 GLU HA 2 63 PHE H 3.000 . 3.300 3.348 3.226 3.518 0.218 7 0 "[ . 1 . 2]" 1
969 2 60 GLU HA 2 64 GLN H 3.000 . 4.000 3.492 3.067 3.833 . 0 0 "[ . 1 . 2]" 1
970 2 61 HIS H 2 61 HIS HA 3.000 . 3.300 2.755 2.732 2.780 . 0 0 "[ . 1 . 2]" 1
971 2 61 HIS HA 2 64 GLN HB3 4.000 . 5.500 4.397 3.601 5.572 0.072 13 0 "[ . 1 . 2]" 1
972 2 61 HIS HA 2 64 GLN HB2 4.000 . 5.000 3.554 2.171 5.224 0.224 8 0 "[ . 1 . 2]" 1
973 2 61 HIS HA 2 62 ASP H 3.000 . 4.300 3.546 3.498 3.577 . 0 0 "[ . 1 . 2]" 1
974 2 61 HIS HA 2 64 GLN H 3.000 . 4.300 3.627 3.427 3.862 . 0 0 "[ . 1 . 2]" 1
975 2 61 HIS HA 2 65 MET HG3 4.000 . 6.300 5.873 4.361 6.528 0.228 11 0 "[ . 1 . 2]" 1
976 2 61 HIS H 2 61 HIS HB3 3.000 . 3.300 2.249 2.163 2.367 . 0 0 "[ . 1 . 2]" 1
977 2 61 HIS HB3 2 62 ASP H 3.000 . 4.300 2.475 2.230 2.741 . 0 0 "[ . 1 . 2]" 1
978 2 61 HIS HB3 2 63 PHE H 4.000 . 5.500 4.634 4.438 4.880 . 0 0 "[ . 1 . 2]" 1
979 2 61 HIS H 2 61 HIS HB2 3.000 . 4.000 2.706 2.578 2.859 . 0 0 "[ . 1 . 2]" 1
980 2 61 HIS HB2 2 62 ASP H 3.000 . 4.300 3.866 3.683 4.028 . 0 0 "[ . 1 . 2]" 1
981 2 61 HIS H 2 61 HIS HD2 4.000 . 5.000 5.042 4.952 5.125 0.125 5 0 "[ . 1 . 2]" 1
982 2 61 HIS HE1 2 62 ASP H 4.000 . 5.500 5.520 5.492 5.548 0.048 3 0 "[ . 1 . 2]" 1
983 2 61 HIS H 2 62 ASP H 3.000 . 3.300 2.930 2.851 2.992 . 0 0 "[ . 1 . 2]" 1
984 2 61 HIS H 2 63 PHE H 3.000 . 4.300 3.952 3.849 4.247 . 0 0 "[ . 1 . 2]" 1
985 2 61 HIS H 2 64 GLN QG 4.000 . 5.000 4.422 3.820 5.021 0.021 10 0 "[ . 1 . 2]" 1
986 2 61 HIS HA 2 65 MET H 3.000 . 4.300 4.535 4.358 4.658 0.358 6 0 "[ . 1 . 2]" 1
987 2 62 ASP H 2 62 ASP HA 3.000 . 3.300 2.912 2.873 2.947 . 0 0 "[ . 1 . 2]" 1
988 2 62 ASP H 2 62 ASP HB2 3.000 . 4.300 3.390 3.154 3.497 . 0 0 "[ . 1 . 2]" 1
989 2 62 ASP HB2 2 64 GLN H 4.000 . 5.000 5.171 4.733 5.415 0.415 19 0 "[ . 1 . 2]" 1
990 2 62 ASP H 2 62 ASP HB3 3.000 . 3.300 3.422 3.264 3.530 0.230 6 0 "[ . 1 . 2]" 1
991 2 62 ASP HB3 2 63 PHE H 3.000 . 4.300 4.232 3.752 4.335 0.035 16 0 "[ . 1 . 2]" 1
992 2 62 ASP H 2 63 PHE QD 4.000 . 6.000 5.556 5.159 5.987 . 0 0 "[ . 1 . 2]" 1
993 2 62 ASP H 2 63 PHE H 3.000 . 3.300 2.444 2.297 2.605 . 0 0 "[ . 1 . 2]" 1
994 2 62 ASP H 2 64 GLN H 3.000 . 4.300 3.893 3.565 4.184 . 0 0 "[ . 1 . 2]" 1
995 2 62 ASP H 2 66 LEU MD2 4.000 . 7.000 6.467 5.471 6.968 . 0 0 "[ . 1 . 2]" 1
996 2 62 ASP HA 2 63 PHE H 3.000 . 3.300 3.438 3.348 3.491 0.191 16 0 "[ . 1 . 2]" 1
997 2 62 ASP HA 2 66 LEU H 4.000 . 5.000 4.371 4.055 4.883 . 0 0 "[ . 1 . 2]" 1
998 2 63 PHE HA 2 63 PHE HZ 4.000 . 6.500 6.272 5.334 6.645 0.145 9 0 "[ . 1 . 2]" 1
999 2 63 PHE HA 2 64 GLN H 3.000 . 3.300 3.484 3.416 3.569 0.269 1 0 "[ . 1 . 2]" 1
1000 2 63 PHE HA 2 65 MET H 3.000 . 4.300 3.901 3.214 4.464 0.164 5 0 "[ . 1 . 2]" 1
1001 2 63 PHE H 2 63 PHE HB3 3.000 . 4.000 2.469 2.033 3.499 . 0 0 "[ . 1 . 2]" 1
1002 2 63 PHE HB3 2 64 GLN H 3.000 . 4.300 2.906 1.932 3.414 . 0 0 "[ . 1 . 2]" 1
1003 2 63 PHE H 2 63 PHE HB2 3.000 . 4.300 2.849 2.176 3.218 . 0 0 "[ . 1 . 2]" 1
1004 2 63 PHE H 2 63 PHE QD 4.000 . 5.000 3.775 3.518 4.076 . 0 0 "[ . 1 . 2]" 1
1005 2 63 PHE QD 2 64 GLN H 4.000 . 5.000 3.274 2.179 4.721 . 0 0 "[ . 1 . 2]" 1
1006 2 63 PHE QD 2 65 MET H 4.000 . 6.000 5.040 4.367 5.756 . 0 0 "[ . 1 . 2]" 1
1007 2 63 PHE QD 2 66 LEU MD1 4.000 . 7.000 4.014 2.259 5.337 . 0 0 "[ . 1 . 2]" 1
1008 2 63 PHE H 2 64 GLN H 3.000 . 3.300 2.412 2.151 2.721 . 0 0 "[ . 1 . 2]" 1
1009 2 63 PHE H 2 65 MET H 3.000 . 4.000 3.781 3.420 4.204 0.204 7 0 "[ . 1 . 2]" 1
1010 2 63 PHE H 2 63 PHE HA 3.000 . 4.300 2.870 2.809 2.922 . 0 0 "[ . 1 . 2]" 1
1011 2 63 PHE HA 2 66 LEU H 3.000 . 4.300 3.454 2.850 3.765 . 0 0 "[ . 1 . 2]" 1
1012 2 63 PHE HA 2 67 PHE H 4.000 . 5.000 4.025 3.426 4.451 . 0 0 "[ . 1 . 2]" 1
1013 2 64 GLN HA 2 65 MET H 3.000 . 3.300 3.404 3.297 3.552 0.252 5 0 "[ . 1 . 2]" 1
1014 2 64 GLN HA 2 66 LEU H 4.000 . 5.000 4.377 4.162 4.700 . 0 0 "[ . 1 . 2]" 1
1015 2 64 GLN HA 2 67 PHE H 3.000 . 3.500 2.935 2.554 3.584 0.084 3 0 "[ . 1 . 2]" 1
1016 2 64 GLN HA 2 68 ALA MB 4.000 . 5.500 3.416 2.244 5.727 0.227 4 0 "[ . 1 . 2]" 1
1017 2 64 GLN HA 2 68 ALA H 3.000 . 4.300 3.168 2.783 3.902 . 0 0 "[ . 1 . 2]" 1
1018 2 64 GLN HB3 2 65 MET H 3.000 . 4.300 3.949 3.513 4.404 0.104 19 0 "[ . 1 . 2]" 1
1019 2 64 GLN HB3 2 68 ALA HA 4.000 . 6.000 5.027 3.363 6.224 0.224 15 0 "[ . 1 . 2]" 1
1020 2 64 GLN HB3 2 67 PHE HA 4.000 . 6.500 6.693 6.519 6.927 0.427 7 0 "[ . 1 . 2]" 1
1021 2 64 GLN H 2 64 GLN HB2 3.000 . 4.300 2.925 2.314 3.769 . 0 0 "[ . 1 . 2]" 1
1022 2 64 GLN HB2 2 65 MET H 3.000 . 4.300 3.352 2.469 4.432 0.132 15 0 "[ . 1 . 2]" 1
1023 2 64 GLN HB2 2 67 PHE H 4.000 . 6.000 5.125 4.604 5.659 . 0 0 "[ . 1 . 2]" 1
1024 2 64 GLN HB2 2 68 ALA HA 4.000 . 6.000 5.589 3.322 6.467 0.467 13 0 "[ . 1 . 2]" 1
1025 2 64 GLN H 2 64 GLN QG 3.000 . 3.300 2.522 1.765 3.231 0.035 8 0 "[ . 1 . 2]" 1
1026 2 64 GLN H 2 64 GLN HE22 4.000 . 5.000 4.808 3.296 5.327 0.327 7 0 "[ . 1 . 2]" 1
1027 2 64 GLN H 2 65 MET H 3.000 . 3.300 2.556 2.428 2.750 . 0 0 "[ . 1 . 2]" 1
1028 2 64 GLN H 2 65 MET QB 4.000 . 5.500 4.540 4.238 5.335 . 0 0 "[ . 1 . 2]" 1
1029 2 64 GLN H 2 66 LEU H 4.000 . 5.000 4.429 4.041 4.824 . 0 0 "[ . 1 . 2]" 1
1030 2 64 GLN H 2 67 PHE H 4.000 . 5.000 4.470 4.164 4.916 . 0 0 "[ . 1 . 2]" 1
1031 2 65 MET H 2 65 MET HA 3.000 . 3.300 2.898 2.771 3.010 . 0 0 "[ . 1 . 2]" 1
1032 2 65 MET HA 2 66 LEU H 3.000 . 4.300 3.565 3.521 3.655 . 0 0 "[ . 1 . 2]" 1
1033 2 65 MET HA 2 68 ALA H 3.000 . 4.300 3.479 2.871 3.670 . 0 0 "[ . 1 . 2]" 1
1034 2 65 MET H 2 65 MET QB 3.000 . 3.300 2.354 2.090 2.904 . 0 0 "[ . 1 . 2]" 1
1035 2 65 MET QB 2 67 PHE H 4.000 . 5.000 4.364 4.175 5.061 0.061 5 0 "[ . 1 . 2]" 1
1036 2 65 MET H 2 65 MET ME 4.000 . 5.500 4.453 3.908 5.093 . 0 0 "[ . 1 . 2]" 1
1037 2 65 MET H 2 65 MET HG3 3.000 . 4.300 3.553 2.126 4.328 0.028 17 0 "[ . 1 . 2]" 1
1038 2 65 MET HG3 2 66 LEU H 4.000 . 5.000 4.648 2.397 5.120 0.120 4 0 "[ . 1 . 2]" 1
1039 2 65 MET H 2 66 LEU H 3.000 . 3.300 2.665 2.347 3.240 . 0 0 "[ . 1 . 2]" 1
1040 2 65 MET H 2 67 PHE H 3.000 . 4.500 3.618 3.179 4.199 . 0 0 "[ . 1 . 2]" 1
1041 2 66 LEU HA 2 66 LEU MD1 4.000 . 5.000 3.936 3.798 4.154 . 0 0 "[ . 1 . 2]" 1
1042 2 66 LEU H 2 66 LEU HA 3.000 . 3.300 2.922 2.905 2.947 . 0 0 "[ . 1 . 2]" 1
1043 2 66 LEU HA 2 67 PHE HB2 4.000 . 6.000 5.599 5.493 5.766 . 0 0 "[ . 1 . 2]" 1
1044 2 66 LEU HA 2 67 PHE QD 4.000 . 5.500 5.425 4.785 5.766 0.266 7 0 "[ . 1 . 2]" 1
1045 2 66 LEU H 2 66 LEU HG 3.000 . 3.300 1.734 1.665 1.839 0.135 20 0 "[ . 1 . 2]" 1
1046 2 66 LEU HG 2 67 PHE H 3.000 . 3.300 3.489 2.877 3.770 0.470 17 0 "[ . 1 . 2]" 1
1047 2 66 LEU HG 2 68 ALA H 4.000 . 5.500 5.313 4.583 5.669 0.169 8 0 "[ . 1 . 2]" 1
1048 2 66 LEU H 2 66 LEU MD1 4.000 . 5.500 3.502 3.440 3.583 . 0 0 "[ . 1 . 2]" 1
1049 2 66 LEU MD1 2 67 PHE H 4.000 . 6.000 4.515 4.100 4.842 . 0 0 "[ . 1 . 2]" 1
1050 2 66 LEU H 2 66 LEU MD2 3.000 . 3.300 2.327 2.012 2.553 . 0 0 "[ . 1 . 2]" 1
1051 2 66 LEU MD2 2 67 PHE H 4.000 . 6.000 4.166 4.102 4.211 . 0 0 "[ . 1 . 2]" 1
1052 2 66 LEU H 2 67 PHE H 3.000 . 3.300 2.459 2.357 2.544 . 0 0 "[ . 1 . 2]" 1
1053 2 66 LEU H 2 68 ALA H 3.000 . 4.000 3.845 3.691 4.037 0.037 8 0 "[ . 1 . 2]" 1
1054 2 67 PHE H 2 67 PHE HA 3.000 . 3.300 2.938 2.799 3.010 . 0 0 "[ . 1 . 2]" 1
1055 2 67 PHE HA 2 68 ALA H 3.000 . 3.300 3.345 3.170 3.593 0.293 4 0 "[ . 1 . 2]" 1
1056 2 67 PHE H 2 67 PHE HB3 3.000 . 4.300 3.546 3.331 3.690 . 0 0 "[ . 1 . 2]" 1
1057 2 67 PHE HB3 2 68 ALA MB 4.000 . 6.500 4.297 3.430 5.283 . 0 0 "[ . 1 . 2]" 1
1058 2 67 PHE H 2 67 PHE HB2 3.000 . 4.300 2.393 2.101 2.539 . 0 0 "[ . 1 . 2]" 1
1059 2 67 PHE H 2 67 PHE QD 4.000 . 5.000 3.383 2.181 3.775 . 0 0 "[ . 1 . 2]" 1
1060 2 67 PHE H 2 68 ALA H 3.000 . 4.000 2.269 1.794 2.949 0.006 17 0 "[ . 1 . 2]" 1
1061 2 68 ALA H 2 68 ALA HA 3.000 . 3.300 2.820 2.283 2.999 . 0 0 "[ . 1 . 2]" 1
1062 2 68 ALA H 2 68 ALA MB 3.000 . 3.300 2.600 2.125 2.874 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 429
_Distance_constraint_stats_list.Viol_total 1915.735
_Distance_constraint_stats_list.Viol_max 1.289
_Distance_constraint_stats_list.Viol_rms 0.2148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1041
_Distance_constraint_stats_list.Viol_average_violations_only 0.2233
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 8 ALA 0.352 0.276 5 0 "[ . 1 . 2]"
2 10 CYS 3.525 0.222 7 0 "[ . 1 . 2]"
2 14 LYS 3.525 0.222 7 0 "[ . 1 . 2]"
2 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 PHE 0.352 0.276 5 0 "[ . 1 . 2]"
2 24 VAL 0.000 0.000 8 0 "[ . 1 . 2]"
2 26 SER 0.299 0.109 5 0 "[ . 1 . 2]"
2 29 GLU 0.299 0.109 5 0 "[ . 1 . 2]"
2 31 TYR 0.000 0.000 8 0 "[ . 1 . 2]"
2 36 PHE 5.819 0.273 14 0 "[ . 1 . 2]"
2 38 CYS 41.943 1.289 15 20 [********-*****+*****]
2 43 GLN 41.943 1.289 15 20 [********-*****+*****]
2 45 PHE 5.819 0.273 14 0 "[ . 1 . 2]"
2 51 TYR 3.467 0.401 19 0 "[ . 1 . 2]"
2 53 PHE 0.194 0.077 7 0 "[ . 1 . 2]"
2 56 ARG 0.194 0.077 7 0 "[ . 1 . 2]"
2 58 TYR 3.467 0.401 19 0 "[ . 1 . 2]"
2 60 GLU 1.384 0.141 6 0 "[ . 1 . 2]"
2 61 HIS 6.148 0.287 6 0 "[ . 1 . 2]"
2 62 ASP 5.245 0.368 5 0 "[ . 1 . 2]"
2 63 PHE 6.577 0.666 3 2 "[ + . 1 - . 2]"
2 64 GLN 17.830 0.674 3 3 "[- + . 1 * . 2]"
2 65 MET 12.841 0.474 3 0 "[ . 1 . 2]"
2 66 LEU 8.984 0.666 3 2 "[ + . 1 - . 2]"
2 67 PHE 10.436 0.674 3 3 "[- + . 1 * . 2]"
2 68 ALA 10.932 0.474 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 2 10 CYS N 2 15 GLY O 2.800 2.400 3.300 2.535 2.425 2.776 . 0 0 "[ . 1 . 2]" 2
2 2 10 CYS H 2 15 GLY O 1.800 . 2.300 1.734 1.598 2.025 . 0 0 "[ . 1 . 2]" 2
3 2 10 CYS O 2 14 LYS N 2.800 2.400 3.300 3.125 3.071 3.180 . 0 0 "[ . 1 . 2]" 2
4 2 10 CYS O 2 14 LYS H 1.800 . 2.300 2.476 2.437 2.522 0.222 7 0 "[ . 1 . 2]" 2
5 2 8 ALA O 2 17 PHE N 2.800 2.400 3.300 2.947 2.803 3.275 . 0 0 "[ . 1 . 2]" 2
6 2 8 ALA O 2 17 PHE H 1.800 . 2.300 2.239 2.099 2.576 0.276 5 0 "[ . 1 . 2]" 2
7 2 24 VAL N 2 31 TYR O 2.800 2.400 3.300 2.688 2.463 2.973 . 0 0 "[ . 1 . 2]" 2
8 2 24 VAL H 2 31 TYR O 1.800 . 2.300 2.024 1.850 2.268 . 0 0 "[ . 1 . 2]" 2
9 2 24 VAL O 2 31 TYR N 2.800 2.400 3.300 2.542 2.400 2.811 0.000 8 0 "[ . 1 . 2]" 2
10 2 24 VAL O 2 31 TYR H 1.800 . 2.300 1.625 1.513 1.868 . 0 0 "[ . 1 . 2]" 2
11 2 26 SER N 2 29 GLU O 2.800 2.400 3.300 3.158 2.966 3.321 0.021 5 0 "[ . 1 . 2]" 2
12 2 26 SER H 2 29 GLU O 1.800 . 2.300 2.241 2.044 2.409 0.109 5 0 "[ . 1 . 2]" 2
13 2 38 CYS N 2 43 GLN O 2.800 2.400 3.300 3.391 3.311 3.497 0.197 15 0 "[ . 1 . 2]" 2
14 2 38 CYS H 2 43 GLN O 1.800 . 2.300 2.426 2.351 2.533 0.233 15 0 "[ . 1 . 2]" 2
15 2 36 PHE O 2 45 PHE N 2.800 2.400 3.300 3.398 3.277 3.467 0.167 14 0 "[ . 1 . 2]" 2
16 2 36 PHE O 2 45 PHE H 1.800 . 2.300 2.492 2.348 2.573 0.273 14 0 "[ . 1 . 2]" 2
17 2 38 CYS O 2 43 GLN N 2.800 2.400 3.300 3.984 3.920 4.042 0.742 7 20 [******+*-***********] 2
18 2 38 CYS O 2 43 GLN H 1.800 . 2.300 3.497 3.380 3.589 1.289 15 20 [********-*****+*****] 2
19 2 51 TYR N 2 58 TYR O 2.800 2.400 3.300 3.115 2.717 3.607 0.307 19 0 "[ . 1 . 2]" 2
20 2 51 TYR H 2 58 TYR O 1.800 . 2.300 2.250 1.881 2.701 0.401 19 0 "[ . 1 . 2]" 2
21 2 51 TYR O 2 58 TYR N 2.800 2.400 3.300 3.204 2.731 3.417 0.117 16 0 "[ . 1 . 2]" 2
22 2 51 TYR O 2 58 TYR H 1.800 . 2.300 2.319 1.811 2.491 0.191 20 0 "[ . 1 . 2]" 2
23 2 53 PHE N 2 56 ARG O 2.800 2.400 3.300 2.967 2.725 3.129 . 0 0 "[ . 1 . 2]" 2
24 2 53 PHE H 2 56 ARG O 1.800 . 2.300 2.106 1.850 2.276 . 0 0 "[ . 1 . 2]" 2
25 2 53 PHE O 2 56 ARG N 2.800 2.400 3.300 3.059 2.812 3.287 . 0 0 "[ . 1 . 2]" 2
26 2 53 PHE O 2 56 ARG H 1.800 . 2.300 2.161 1.883 2.377 0.077 7 0 "[ . 1 . 2]" 2
27 2 60 GLU O 2 64 GLN H 1.800 . 2.300 1.554 1.409 1.813 0.091 14 0 "[ . 1 . 2]" 2
28 2 60 GLU O 2 64 GLN N 2.800 2.400 3.300 2.464 2.259 2.781 0.141 6 0 "[ . 1 . 2]" 2
29 2 61 HIS O 2 64 GLN H 1.800 . 2.600 2.760 2.629 2.882 0.282 9 0 "[ . 1 . 2]" 2
30 2 61 HIS O 2 64 GLN N 2.800 2.400 3.300 3.268 3.045 3.552 0.252 7 0 "[ . 1 . 2]" 2
31 2 62 ASP O 2 65 MET H 1.800 . 2.300 2.332 1.928 2.668 0.368 5 0 "[ . 1 . 2]" 2
32 2 62 ASP O 2 65 MET N 2.800 2.400 3.300 2.986 2.783 3.184 . 0 0 "[ . 1 . 2]" 2
33 2 61 HIS O 2 65 MET H 1.800 . 2.300 2.387 2.239 2.587 0.287 6 0 "[ . 1 . 2]" 2
34 2 61 HIS O 2 65 MET N 2.800 2.400 3.300 3.052 2.733 3.477 0.177 7 0 "[ . 1 . 2]" 2
35 2 62 ASP O 2 66 LEU H 1.800 . 2.300 2.335 2.003 2.526 0.226 6 0 "[ . 1 . 2]" 2
36 2 62 ASP O 2 66 LEU N 2.800 2.400 3.300 3.289 2.961 3.449 0.149 6 0 "[ . 1 . 2]" 2
37 2 63 PHE O 2 66 LEU H 1.800 . 2.300 2.592 2.324 2.966 0.666 3 2 "[ + . 1 - . 2]" 2
38 2 63 PHE O 2 66 LEU N 2.800 2.400 3.300 3.051 2.650 3.409 0.109 3 0 "[ . 1 . 2]" 2
39 2 64 GLN O 2 67 PHE H 1.800 . 2.300 2.741 2.629 2.974 0.674 3 3 "[- + . 1 * . 2]" 2
40 2 64 GLN O 2 67 PHE N 2.800 2.400 3.300 3.228 2.855 3.461 0.161 19 0 "[ . 1 . 2]" 2
41 2 63 PHE O 2 67 PHE H 1.800 . 2.300 1.798 1.404 2.108 0.096 7 0 "[ . 1 . 2]" 2
42 2 63 PHE O 2 67 PHE N 2.800 2.400 3.300 2.579 2.258 3.074 0.142 6 0 "[ . 1 . 2]" 2
43 2 64 GLN O 2 68 ALA H 1.800 . 2.300 1.697 1.399 1.892 0.101 13 0 "[ . 1 . 2]" 2
44 2 64 GLN O 2 68 ALA N 2.800 2.400 3.300 2.291 2.207 2.411 0.193 13 0 "[ . 1 . 2]" 2
45 2 65 MET O 2 68 ALA H 1.800 . 2.300 2.603 2.489 2.774 0.474 3 0 "[ . 1 . 2]" 2
46 2 65 MET O 2 68 ALA N 2.800 2.400 3.300 3.415 3.227 3.647 0.347 3 0 "[ . 1 . 2]" 2
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