NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
368569 |
1aw6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1aw6
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 647
_Distance_constraint_stats_list.Viol_count 2496
_Distance_constraint_stats_list.Viol_total 5945.500
_Distance_constraint_stats_list.Viol_max 1.196
_Distance_constraint_stats_list.Viol_rms 0.0680
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0160
_Distance_constraint_stats_list.Viol_average_violations_only 0.0993
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.607 0.266 1 0 "[ . 1 . 2 ]"
1 7 ILE 4.593 0.276 16 0 "[ . 1 . 2 ]"
1 8 GLU 5.448 0.327 21 0 "[ . 1 . 2 ]"
1 9 GLN 10.334 0.462 20 0 "[ . 1 . 2 ]"
1 10 ALA 3.195 0.219 18 0 "[ . 1 . 2 ]"
1 11 CYS 9.819 0.510 3 1 "[ + . 1 . 2 ]"
1 12 ASP 10.615 0.511 13 1 "[ . 1 + . 2 ]"
1 13 ILE 18.018 0.685 4 1 "[ +. 1 . 2 ]"
1 14 CYS 11.469 0.585 4 1 "[ +. 1 . 2 ]"
1 15 ARG 11.532 0.436 24 0 "[ . 1 . 2 ]"
1 16 LEU 9.859 1.196 7 2 "[ -. + 1 . 2 ]"
1 17 LYS 11.015 1.196 7 1 "[ . + 1 . 2 ]"
1 18 LYS 9.377 0.371 22 0 "[ . 1 . 2 ]"
1 19 LEU 8.476 0.371 22 0 "[ . 1 . 2 ]"
1 20 LYS 0.915 0.175 8 0 "[ . 1 . 2 ]"
1 21 CYS 1.489 0.187 8 0 "[ . 1 . 2 ]"
1 22 SER 0.368 0.099 21 0 "[ . 1 . 2 ]"
1 23 LYS 3.763 0.261 18 0 "[ . 1 . 2 ]"
1 24 GLU 34.404 0.703 4 22 "[***+***-************ ** ]"
1 25 LYS 6.316 0.314 21 0 "[ . 1 . 2 ]"
1 26 PRO 20.900 0.845 20 24 [**************-****+****]
1 27 LYS 33.467 0.845 20 24 [**************-****+****]
1 28 CYS 39.108 0.682 16 16 "[*** ** * *** *.+*-** * ]"
1 29 ALA 6.343 0.172 12 0 "[ . 1 . 2 ]"
1 30 LYS 33.628 0.921 2 24 [*+***-******************]
1 31 CYS 22.459 0.452 11 0 "[ . 1 . 2 ]"
1 32 LEU 11.391 0.297 2 0 "[ . 1 . 2 ]"
1 33 LYS 5.616 0.193 17 0 "[ . 1 . 2 ]"
1 34 ASN 5.825 0.157 14 0 "[ . 1 . 2 ]"
1 35 ASN 11.366 0.594 14 2 "[ . 1 +. 2- ]"
1 36 TRP 39.770 0.921 2 24 [*+***-******************]
1 37 GLU 5.888 0.215 3 0 "[ . 1 . 2 ]"
1 38 CYS 12.656 0.277 14 0 "[ . 1 . 2 ]"
1 39 ARG 9.827 0.805 20 2 "[ . 1 - . + ]"
1 40 TYR 16.241 0.805 20 7 "[ * . 1 * **- *+ ]"
1 41 SER 6.039 0.701 15 4 "[ . 1 +*- *2 ]"
1 42 PRO 2.070 0.388 10 0 "[ . 1 . 2 ]"
1 43 LYS 1.878 0.388 10 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER H 1 7 ILE H 3.400 . 5.000 3.936 2.056 4.709 . 0 0 "[ . 1 . 2 ]" 1
2 1 6 SER QB 1 7 ILE H 3.400 . 5.000 2.994 1.534 4.094 0.266 1 0 "[ . 1 . 2 ]" 1
3 1 7 ILE CG1 1 7 ILE H 4.590 4.140 6.500 4.475 4.046 4.851 0.094 5 0 "[ . 1 . 2 ]" 1
4 1 7 ILE CG1 1 8 GLU HA 3.400 . 6.100 5.591 4.606 6.314 0.214 20 0 "[ . 1 . 2 ]" 1
5 1 7 ILE CG2 1 7 ILE H 4.000 3.600 5.800 4.048 3.575 4.812 0.025 1 0 "[ . 1 . 2 ]" 1
6 1 7 ILE H 1 7 ILE HA 4.090 2.700 3.100 2.855 2.623 3.059 0.077 6 0 "[ . 1 . 2 ]" 1
7 1 7 ILE H 1 8 GLU H 3.400 . 4.000 3.268 1.885 4.211 0.211 10 0 "[ . 1 . 2 ]" 1
8 1 7 ILE HB 1 8 GLU HA 3.400 . 5.700 5.546 4.279 5.976 0.276 16 0 "[ . 1 . 2 ]" 1
9 1 8 GLU H 1 8 GLU HA 3.400 2.700 3.500 2.962 2.677 3.077 0.023 9 0 "[ . 1 . 2 ]" 1
10 1 8 GLU H 1 9 GLN H 3.400 . 4.000 3.537 1.893 4.218 0.218 9 0 "[ . 1 . 2 ]" 1
11 1 8 GLU HA 1 9 GLN QG 3.400 . 6.000 5.296 3.509 5.747 . 0 0 "[ . 1 . 2 ]" 1
12 1 8 GLU QB 1 9 GLN H 3.400 . 5.000 3.316 1.473 4.052 0.327 21 0 "[ . 1 . 2 ]" 1
13 1 9 GLN H 1 9 GLN HA 3.400 2.200 2.900 2.929 2.756 3.005 0.105 22 0 "[ . 1 . 2 ]" 1
14 1 9 GLN HA 1 10 ALA H 2.260 2.040 2.710 2.331 2.034 2.808 0.098 18 0 "[ . 1 . 2 ]" 1
15 1 9 GLN HA 1 10 ALA MB 3.400 . 5.000 3.999 3.719 4.278 . 0 0 "[ . 1 . 2 ]" 1
16 1 9 GLN HA 1 40 TYR CG 3.400 . 7.000 6.509 4.393 7.254 0.254 9 0 "[ . 1 . 2 ]" 1
17 1 9 GLN QB 1 10 ALA H 3.400 . 4.000 2.871 1.694 3.984 0.106 23 0 "[ . 1 . 2 ]" 1
18 1 9 GLN QB 1 40 TYR CG 3.400 . 7.000 5.560 4.294 6.412 . 0 0 "[ . 1 . 2 ]" 1
19 1 9 GLN HE21 1 9 GLN QG 2.790 2.520 3.340 2.395 2.058 2.944 0.462 20 0 "[ . 1 . 2 ]" 1
20 1 9 GLN HE22 1 9 GLN QG 3.780 3.400 4.530 3.382 3.253 3.537 0.147 2 0 "[ . 1 . 2 ]" 1
21 1 9 GLN QG 1 10 ALA H 3.400 . 4.000 2.904 2.054 3.681 . 0 0 "[ . 1 . 2 ]" 1
22 1 9 GLN QG 1 40 TYR CG 3.400 . 5.100 4.232 3.329 4.551 . 0 0 "[ . 1 . 2 ]" 1
23 1 9 GLN QG 1 40 TYR CZ 3.400 . 6.000 4.831 3.737 5.270 . 0 0 "[ . 1 . 2 ]" 1
24 1 10 ALA H 1 10 ALA MB 3.800 2.100 3.800 2.980 2.281 3.239 . 0 0 "[ . 1 . 2 ]" 1
25 1 10 ALA H 1 11 CYS H 3.400 . 4.200 4.224 3.761 4.419 0.219 18 0 "[ . 1 . 2 ]" 1
26 1 10 ALA HA 1 11 CYS H 2.580 2.320 3.090 2.295 2.267 2.308 0.053 18 0 "[ . 1 . 2 ]" 1
27 1 10 ALA HA 1 11 CYS HB2 3.400 . 7.000 5.721 5.617 5.871 . 0 0 "[ . 1 . 2 ]" 1
28 1 10 ALA HA 1 11 CYS HB3 3.400 . 7.000 4.415 4.242 4.660 . 0 0 "[ . 1 . 2 ]" 1
29 1 10 ALA HA 1 14 CYS HB2 3.400 . 6.000 4.551 3.871 5.033 . 0 0 "[ . 1 . 2 ]" 1
30 1 10 ALA HA 1 14 CYS HB3 3.400 . 6.000 5.419 4.563 5.915 . 0 0 "[ . 1 . 2 ]" 1
31 1 10 ALA HA 1 21 CYS QB 3.400 . 5.000 3.371 2.667 4.069 . 0 0 "[ . 1 . 2 ]" 1
32 1 10 ALA HA 1 23 LYS QB 3.400 . 6.200 5.146 2.505 5.648 . 0 0 "[ . 1 . 2 ]" 1
33 1 10 ALA HA 1 23 LYS QE 3.400 . 6.000 3.548 2.536 4.076 . 0 0 "[ . 1 . 2 ]" 1
34 1 10 ALA HA 1 23 LYS QG 3.400 . 5.000 3.512 3.073 4.596 . 0 0 "[ . 1 . 2 ]" 1
35 1 10 ALA HA 1 40 TYR CG 3.400 . 7.000 5.387 4.602 6.559 . 0 0 "[ . 1 . 2 ]" 1
36 1 10 ALA HA 1 40 TYR CZ 3.400 . 6.000 5.186 4.266 6.067 0.067 3 0 "[ . 1 . 2 ]" 1
37 1 10 ALA MB 1 11 CYS H 2.470 2.230 3.960 2.966 2.582 3.525 . 0 0 "[ . 1 . 2 ]" 1
38 1 10 ALA MB 1 11 CYS HA 3.400 . 6.000 4.571 4.495 4.677 . 0 0 "[ . 1 . 2 ]" 1
39 1 10 ALA MB 1 14 CYS HB2 3.400 . 5.000 3.163 2.243 3.691 . 0 0 "[ . 1 . 2 ]" 1
40 1 10 ALA MB 1 14 CYS HB3 3.400 . 5.000 3.441 2.488 3.876 . 0 0 "[ . 1 . 2 ]" 1
41 1 10 ALA MB 1 23 LYS QE 3.400 . 5.100 3.209 2.320 3.578 . 0 0 "[ . 1 . 2 ]" 1
42 1 11 CYS H 1 11 CYS HA 2.600 2.340 3.120 2.976 2.881 2.997 . 0 0 "[ . 1 . 2 ]" 1
43 1 11 CYS H 1 11 CYS HB2 2.520 2.270 3.620 3.665 3.643 3.686 0.066 17 0 "[ . 1 . 2 ]" 1
44 1 11 CYS H 1 11 CYS HB3 2.390 2.150 2.860 2.591 2.397 2.721 . 0 0 "[ . 1 . 2 ]" 1
45 1 11 CYS H 1 12 ASP H 3.400 . 5.000 4.635 4.602 4.686 . 0 0 "[ . 1 . 2 ]" 1
46 1 11 CYS H 1 14 CYS H 3.400 . 5.000 4.218 3.781 4.711 . 0 0 "[ . 1 . 2 ]" 1
47 1 11 CYS H 1 14 CYS HB2 3.400 . 5.500 3.159 2.660 3.640 . 0 0 "[ . 1 . 2 ]" 1
48 1 11 CYS H 1 14 CYS HB3 3.400 . 5.500 4.596 4.116 4.993 . 0 0 "[ . 1 . 2 ]" 1
49 1 11 CYS H 1 21 CYS QB 3.400 . 6.000 3.652 3.306 3.932 . 0 0 "[ . 1 . 2 ]" 1
50 1 11 CYS H 1 21 CYS SG 2.800 . 2.800 2.815 2.744 2.844 0.044 17 0 "[ . 1 . 2 ]" 1
51 1 11 CYS H 1 40 TYR CZ 4.500 3.100 5.900 4.716 3.737 5.897 . 0 0 "[ . 1 . 2 ]" 1
52 1 11 CYS HA 1 12 ASP QB 3.400 . 7.000 4.242 4.105 4.373 . 0 0 "[ . 1 . 2 ]" 1
53 1 11 CYS HA 1 40 TYR CG 4.500 2.700 5.400 3.726 3.015 4.520 . 0 0 "[ . 1 . 2 ]" 1
54 1 11 CYS HA 1 40 TYR CZ 4.500 3.100 5.800 5.095 4.478 5.957 0.157 3 0 "[ . 1 . 2 ]" 1
55 1 11 CYS HA 1 40 TYR H 4.500 3.100 4.500 4.370 3.458 4.806 0.306 2 0 "[ . 1 . 2 ]" 1
56 1 11 CYS HA 1 40 TYR HA 3.400 . 5.000 2.492 1.950 3.009 . 0 0 "[ . 1 . 2 ]" 1
57 1 11 CYS HA 1 40 TYR QB 3.400 . 6.000 3.664 1.290 4.769 0.510 3 1 "[ + . 1 . 2 ]" 1
58 1 11 CYS HA 1 41 SER H 3.400 . 5.500 4.744 3.075 5.637 0.137 24 0 "[ . 1 . 2 ]" 1
59 1 11 CYS HB2 1 12 ASP H 2.540 2.290 3.040 2.292 2.275 2.448 0.015 7 0 "[ . 1 . 2 ]" 1
60 1 11 CYS HB2 1 12 ASP QB 3.400 . 7.000 3.982 3.817 4.121 . 0 0 "[ . 1 . 2 ]" 1
61 1 11 CYS HB2 1 13 ILE H 3.400 . 5.000 3.084 2.798 3.598 . 0 0 "[ . 1 . 2 ]" 1
62 1 11 CYS HB2 1 14 CYS H 3.400 . 6.000 4.233 3.978 4.529 . 0 0 "[ . 1 . 2 ]" 1
63 1 11 CYS HB2 1 39 ARG H 2.700 2.430 3.240 2.840 2.427 3.215 0.003 9 0 "[ . 1 . 2 ]" 1
64 1 11 CYS HB2 1 40 TYR CG 3.400 . 7.000 4.373 3.514 5.198 . 0 0 "[ . 1 . 2 ]" 1
65 1 11 CYS HB2 1 40 TYR HA 3.400 . 4.400 4.179 3.886 4.418 0.018 9 0 "[ . 1 . 2 ]" 1
66 1 11 CYS HB3 1 12 ASP H 2.710 2.440 3.650 3.693 3.652 3.762 0.112 17 0 "[ . 1 . 2 ]" 1
67 1 11 CYS HB3 1 12 ASP QB 3.400 . 7.000 5.432 5.330 5.519 . 0 0 "[ . 1 . 2 ]" 1
68 1 11 CYS HB3 1 13 ILE H 3.400 . 5.000 4.535 4.276 5.046 0.046 4 0 "[ . 1 . 2 ]" 1
69 1 11 CYS HB3 1 14 CYS H 3.400 . 6.000 4.826 4.698 4.921 . 0 0 "[ . 1 . 2 ]" 1
70 1 11 CYS HB3 1 40 TYR CG 3.400 . 7.000 3.459 2.436 4.450 . 0 0 "[ . 1 . 2 ]" 1
71 1 11 CYS HB3 1 40 TYR CZ 4.500 2.900 5.500 3.432 2.891 4.609 0.009 16 0 "[ . 1 . 2 ]" 1
72 1 11 CYS HB3 1 40 TYR HA 3.400 . 4.400 4.192 3.712 4.471 0.071 9 0 "[ . 1 . 2 ]" 1
73 1 11 CYS O 1 15 ARG N 2.800 2.700 3.500 3.452 3.311 3.546 0.046 15 0 "[ . 1 . 2 ]" 1
74 1 11 CYS SG 1 14 CYS H 2.800 . 2.800 2.735 2.724 2.747 . 0 0 "[ . 1 . 2 ]" 1
75 1 12 ASP H 1 12 ASP HA 4.500 2.600 3.300 2.917 2.874 2.951 . 0 0 "[ . 1 . 2 ]" 1
76 1 12 ASP H 1 12 ASP QB 2.430 2.190 3.910 2.232 2.102 2.327 0.088 11 0 "[ . 1 . 2 ]" 1
77 1 12 ASP H 1 13 ILE CD1 3.400 . 7.000 6.647 6.378 6.986 . 0 0 "[ . 1 . 2 ]" 1
78 1 12 ASP H 1 13 ILE CG2 3.400 . 7.000 6.664 6.499 6.875 . 0 0 "[ . 1 . 2 ]" 1
79 1 12 ASP H 1 13 ILE H 2.900 2.600 3.480 2.656 2.579 2.862 0.021 17 0 "[ . 1 . 2 ]" 1
80 1 12 ASP H 1 13 ILE HA 3.400 . 6.000 5.349 5.267 5.506 . 0 0 "[ . 1 . 2 ]" 1
81 1 12 ASP H 1 13 ILE QG 3.400 . 7.000 4.844 4.485 5.155 . 0 0 "[ . 1 . 2 ]" 1
82 1 12 ASP H 1 14 CYS H 3.400 . 5.000 4.267 4.095 4.445 . 0 0 "[ . 1 . 2 ]" 1
83 1 12 ASP H 1 16 LEU CG 3.400 . 8.000 7.996 7.173 8.173 0.173 17 0 "[ . 1 . 2 ]" 1
84 1 12 ASP H 1 39 ARG H 2.920 2.620 3.370 2.684 2.596 2.950 0.024 17 0 "[ . 1 . 2 ]" 1
85 1 12 ASP H 1 39 ARG HA 2.880 2.600 4.300 4.406 4.335 4.464 0.164 11 0 "[ . 1 . 2 ]" 1
86 1 12 ASP H 1 39 ARG QB 3.290 2.970 4.930 3.094 2.459 3.853 0.511 13 1 "[ . 1 + . 2 ]" 1
87 1 12 ASP H 1 39 ARG QG 4.230 3.810 6.070 4.766 3.452 5.517 0.358 20 0 "[ . 1 . 2 ]" 1
88 1 12 ASP H 1 40 TYR CG 3.400 . 7.500 5.441 4.758 6.079 . 0 0 "[ . 1 . 2 ]" 1
89 1 12 ASP H 1 40 TYR CZ 3.400 . 7.500 6.757 6.174 7.668 0.168 3 0 "[ . 1 . 2 ]" 1
90 1 12 ASP H 1 40 TYR HA 3.400 . 6.000 3.815 2.982 4.246 . 0 0 "[ . 1 . 2 ]" 1
91 1 12 ASP HA 1 13 ILE H 4.280 3.400 5.120 3.498 3.441 3.546 . 0 0 "[ . 1 . 2 ]" 1
92 1 12 ASP HA 1 14 CYS H 3.400 . 5.000 4.142 3.890 4.382 . 0 0 "[ . 1 . 2 ]" 1
93 1 12 ASP HA 1 15 ARG H 3.400 . 5.000 3.552 3.315 3.891 . 0 0 "[ . 1 . 2 ]" 1
94 1 12 ASP HA 1 15 ARG QB 3.400 . 6.000 2.950 2.119 4.236 . 0 0 "[ . 1 . 2 ]" 1
95 1 12 ASP HA 1 15 ARG QD 3.400 . 6.000 2.265 1.364 3.140 0.436 24 0 "[ . 1 . 2 ]" 1
96 1 12 ASP HA 1 16 LEU QD 3.400 . 7.000 3.966 3.313 5.007 . 0 0 "[ . 1 . 2 ]" 1
97 1 12 ASP QB 1 13 ILE CG2 3.400 . 7.200 6.084 5.474 6.425 . 0 0 "[ . 1 . 2 ]" 1
98 1 12 ASP QB 1 13 ILE H 2.570 2.320 4.070 2.686 2.228 2.989 0.092 4 0 "[ . 1 . 2 ]" 1
99 1 12 ASP QB 1 13 ILE HA 3.400 . 5.000 4.102 3.672 4.523 . 0 0 "[ . 1 . 2 ]" 1
100 1 12 ASP QB 1 13 ILE QG 3.400 . 7.000 3.753 2.792 4.248 . 0 0 "[ . 1 . 2 ]" 1
101 1 12 ASP QB 1 14 CYS H 3.400 . 6.000 4.740 4.473 5.008 . 0 0 "[ . 1 . 2 ]" 1
102 1 12 ASP QB 1 15 ARG H 3.400 . 8.000 5.182 4.949 5.557 . 0 0 "[ . 1 . 2 ]" 1
103 1 12 ASP QB 1 16 LEU CG 3.400 . 8.000 5.801 5.196 6.420 . 0 0 "[ . 1 . 2 ]" 1
104 1 12 ASP QB 1 16 LEU QB 3.400 . 8.000 5.540 4.655 6.044 . 0 0 "[ . 1 . 2 ]" 1
105 1 12 ASP QB 1 39 ARG H 2.800 2.520 4.360 2.736 2.277 3.127 0.243 24 0 "[ . 1 . 2 ]" 1
106 1 12 ASP QB 1 39 ARG HA 3.400 . 7.000 4.440 4.106 4.700 . 0 0 "[ . 1 . 2 ]" 1
107 1 12 ASP QB 1 40 TYR H 3.400 . 6.100 5.182 4.656 5.585 . 0 0 "[ . 1 . 2 ]" 1
108 1 12 ASP QB 1 40 TYR HA 3.400 . 7.000 4.905 3.938 5.460 . 0 0 "[ . 1 . 2 ]" 1
109 1 12 ASP N 1 39 ARG O 2.800 2.700 3.500 3.113 2.977 3.317 . 0 0 "[ . 1 . 2 ]" 1
110 1 12 ASP O 1 16 LEU N 2.800 2.700 3.500 3.304 3.202 3.512 0.012 3 0 "[ . 1 . 2 ]" 1
111 1 13 ILE CD1 1 13 ILE H 2.690 . 4.210 4.255 4.172 4.451 0.241 4 0 "[ . 1 . 2 ]" 1
112 1 13 ILE CD1 1 14 CYS H 3.120 2.800 5.340 5.510 5.418 5.925 0.585 4 1 "[ +. 1 . 2 ]" 1
113 1 13 ILE CD1 1 16 LEU HA 3.400 . 7.700 7.806 7.656 8.385 0.685 4 1 "[ +. 1 . 2 ]" 1
114 1 13 ILE CD1 1 17 LYS H 3.400 . 7.000 5.704 5.460 6.275 . 0 0 "[ . 1 . 2 ]" 1
115 1 13 ILE CD1 1 17 LYS HA 3.400 . 7.300 7.364 6.767 7.565 0.265 2 0 "[ . 1 . 2 ]" 1
116 1 13 ILE CD1 1 17 LYS QE 3.400 . 7.000 4.865 3.006 5.802 . 0 0 "[ . 1 . 2 ]" 1
117 1 13 ILE CD1 1 31 CYS HA 3.400 . 6.000 5.932 5.539 6.017 0.017 20 0 "[ . 1 . 2 ]" 1
118 1 13 ILE CD1 1 36 TRP HA 3.400 . 6.000 5.499 4.917 5.751 . 0 0 "[ . 1 . 2 ]" 1
119 1 13 ILE CD1 1 36 TRP HB2 3.400 . 5.000 4.963 4.326 5.063 0.063 15 0 "[ . 1 . 2 ]" 1
120 1 13 ILE CD1 1 36 TRP HB3 3.400 . 5.000 3.517 2.922 3.710 . 0 0 "[ . 1 . 2 ]" 1
121 1 13 ILE CD1 1 36 TRP HD1 3.400 . 6.000 5.439 4.904 5.666 . 0 0 "[ . 1 . 2 ]" 1
122 1 13 ILE CD1 1 36 TRP HE3 4.500 2.800 4.500 4.495 4.257 4.564 0.064 18 0 "[ . 1 . 2 ]" 1
123 1 13 ILE CD1 1 36 TRP HH2 3.400 . 7.000 6.362 6.184 6.541 . 0 0 "[ . 1 . 2 ]" 1
124 1 13 ILE CD1 1 36 TRP HZ2 3.400 . 6.200 6.183 5.994 6.316 0.116 18 0 "[ . 1 . 2 ]" 1
125 1 13 ILE CD1 1 36 TRP HZ3 3.400 . 6.300 5.637 5.404 5.789 . 0 0 "[ . 1 . 2 ]" 1
126 1 13 ILE CD1 1 37 GLU H 3.510 3.160 5.200 4.228 3.787 4.598 . 0 0 "[ . 1 . 2 ]" 1
127 1 13 ILE CD1 1 38 CYS HA 3.400 . 5.400 5.471 5.406 5.540 0.140 11 0 "[ . 1 . 2 ]" 1
128 1 13 ILE CG2 1 13 ILE H 4.500 2.900 4.500 4.100 4.036 4.145 . 0 0 "[ . 1 . 2 ]" 1
129 1 13 ILE CG2 1 14 CYS HA 3.400 . 5.000 4.210 3.944 4.658 . 0 0 "[ . 1 . 2 ]" 1
130 1 13 ILE CG2 1 15 ARG H 3.400 . 6.000 5.878 5.724 6.114 0.114 23 0 "[ . 1 . 2 ]" 1
131 1 13 ILE CG2 1 17 LYS H 3.400 . 6.000 5.027 4.418 5.241 . 0 0 "[ . 1 . 2 ]" 1
132 1 13 ILE CG2 1 17 LYS HA 3.400 . 7.000 6.787 5.824 7.098 0.098 21 0 "[ . 1 . 2 ]" 1
133 1 13 ILE CG2 1 17 LYS QB 3.400 . 8.000 4.011 3.109 4.432 . 0 0 "[ . 1 . 2 ]" 1
134 1 13 ILE CG2 1 17 LYS QE 3.400 . 6.000 4.693 3.377 5.400 . 0 0 "[ . 1 . 2 ]" 1
135 1 13 ILE CG2 1 17 LYS QG 3.400 . 5.000 3.786 3.018 4.597 . 0 0 "[ . 1 . 2 ]" 1
136 1 13 ILE CG2 1 30 LYS QG 3.400 . 8.000 3.554 2.977 4.651 . 0 0 "[ . 1 . 2 ]" 1
137 1 13 ILE CG2 1 31 CYS HA 3.400 . 6.000 4.797 4.643 5.400 . 0 0 "[ . 1 . 2 ]" 1
138 1 13 ILE CG2 1 36 TRP HA 3.400 . 7.000 6.957 6.776 7.109 0.109 23 0 "[ . 1 . 2 ]" 1
139 1 13 ILE CG2 1 36 TRP HB2 3.400 . 5.000 4.892 4.490 5.146 0.146 4 0 "[ . 1 . 2 ]" 1
140 1 13 ILE CG2 1 36 TRP HB3 3.400 . 5.000 4.415 4.245 4.603 . 0 0 "[ . 1 . 2 ]" 1
141 1 13 ILE CG2 1 36 TRP HD1 3.400 . 6.800 6.841 6.678 6.961 0.161 23 0 "[ . 1 . 2 ]" 1
142 1 13 ILE CG2 1 36 TRP HH2 3.400 . 6.000 4.967 4.793 5.254 . 0 0 "[ . 1 . 2 ]" 1
143 1 13 ILE CG2 1 36 TRP HZ2 3.400 . 6.000 6.038 5.894 6.108 0.108 22 0 "[ . 1 . 2 ]" 1
144 1 13 ILE CG2 1 36 TRP HZ3 4.500 3.300 5.200 3.369 3.281 4.087 0.019 17 0 "[ . 1 . 2 ]" 1
145 1 13 ILE CG2 1 38 CYS HA 3.400 . 6.000 5.431 5.103 5.893 . 0 0 "[ . 1 . 2 ]" 1
146 1 13 ILE CG2 1 39 ARG H 3.400 . 7.000 6.541 6.058 6.924 . 0 0 "[ . 1 . 2 ]" 1
147 1 13 ILE H 1 13 ILE HA 4.500 2.400 3.000 2.924 2.841 2.976 . 0 0 "[ . 1 . 2 ]" 1
148 1 13 ILE H 1 13 ILE HB 2.260 2.040 2.700 2.291 2.225 2.374 . 0 0 "[ . 1 . 2 ]" 1
149 1 13 ILE H 1 13 ILE QG 4.410 . 6.300 2.857 2.624 3.035 . 0 0 "[ . 1 . 2 ]" 1
150 1 13 ILE H 1 14 CYS H 2.700 2.430 3.240 2.656 2.495 2.868 . 0 0 "[ . 1 . 2 ]" 1
151 1 13 ILE H 1 15 ARG QD 3.400 . 6.000 5.024 4.273 5.401 . 0 0 "[ . 1 . 2 ]" 1
152 1 13 ILE HA 1 14 CYS H 2.700 2.430 3.440 3.446 3.376 3.474 0.034 8 0 "[ . 1 . 2 ]" 1
153 1 13 ILE HA 1 15 ARG H 3.400 . 5.000 4.443 3.909 4.808 . 0 0 "[ . 1 . 2 ]" 1
154 1 13 ILE HA 1 16 LEU CG 3.400 . 5.000 4.269 2.397 4.946 . 0 0 "[ . 1 . 2 ]" 1
155 1 13 ILE HA 1 16 LEU H 3.400 . 5.000 3.486 2.537 4.219 . 0 0 "[ . 1 . 2 ]" 1
156 1 13 ILE HA 1 16 LEU QB 3.400 . 4.000 3.247 3.172 3.858 . 0 0 "[ . 1 . 2 ]" 1
157 1 13 ILE HA 1 17 LYS H 3.400 . 6.000 3.818 3.136 4.053 . 0 0 "[ . 1 . 2 ]" 1
158 1 13 ILE HB 1 14 CYS H 2.580 2.330 3.080 3.044 2.934 3.158 0.078 4 0 "[ . 1 . 2 ]" 1
159 1 13 ILE QG 1 14 CYS H 4.500 2.700 5.000 4.542 4.409 4.597 . 0 0 "[ . 1 . 2 ]" 1
160 1 13 ILE QG 1 36 TRP HD1 3.400 . 7.000 4.785 4.559 6.046 . 0 0 "[ . 1 . 2 ]" 1
161 1 13 ILE QG 1 38 CYS HA 3.400 . 6.000 3.237 3.138 4.203 . 0 0 "[ . 1 . 2 ]" 1
162 1 13 ILE O 1 17 LYS N 2.800 2.700 3.500 3.241 3.126 3.295 . 0 0 "[ . 1 . 2 ]" 1
163 1 14 CYS H 1 14 CYS HA 4.500 2.500 3.100 3.009 3.001 3.020 . 0 0 "[ . 1 . 2 ]" 1
164 1 14 CYS H 1 14 CYS HB2 2.390 2.160 2.850 2.340 2.280 2.512 . 0 0 "[ . 1 . 2 ]" 1
165 1 14 CYS H 1 14 CYS HB3 3.020 2.720 3.620 3.631 3.581 3.679 0.059 8 0 "[ . 1 . 2 ]" 1
166 1 14 CYS H 1 15 ARG H 2.540 2.300 3.040 2.431 2.382 2.503 . 0 0 "[ . 1 . 2 ]" 1
167 1 14 CYS H 1 15 ARG HA 3.400 . 5.000 5.151 5.116 5.193 0.193 13 0 "[ . 1 . 2 ]" 1
168 1 14 CYS H 1 21 CYS QB 3.400 . 6.400 5.046 4.714 5.296 . 0 0 "[ . 1 . 2 ]" 1
169 1 14 CYS HA 1 15 ARG H 3.490 3.150 4.170 3.537 3.509 3.569 . 0 0 "[ . 1 . 2 ]" 1
170 1 14 CYS HA 1 17 LYS QB 3.400 . 4.100 3.090 2.773 3.287 . 0 0 "[ . 1 . 2 ]" 1
171 1 14 CYS HA 1 18 LYS H 3.400 . 5.000 3.699 3.629 3.869 . 0 0 "[ . 1 . 2 ]" 1
172 1 14 CYS HA 1 19 LEU H 3.080 2.780 3.700 2.842 2.759 3.234 0.021 17 0 "[ . 1 . 2 ]" 1
173 1 14 CYS HA 1 19 LEU HA 3.400 . 5.300 4.946 4.652 5.250 . 0 0 "[ . 1 . 2 ]" 1
174 1 14 CYS HA 1 19 LEU QB 3.400 . 4.000 2.522 1.874 3.535 . 0 0 "[ . 1 . 2 ]" 1
175 1 14 CYS HA 1 19 LEU HG 3.400 . 5.000 4.436 2.367 5.068 0.068 4 0 "[ . 1 . 2 ]" 1
176 1 14 CYS HA 1 20 LYS HA 3.400 . 6.200 6.168 5.485 6.308 0.108 8 0 "[ . 1 . 2 ]" 1
177 1 14 CYS HA 1 21 CYS QB 3.400 . 6.000 4.757 4.268 5.044 . 0 0 "[ . 1 . 2 ]" 1
178 1 14 CYS HB2 1 15 ARG HA 3.400 . 8.000 4.902 4.719 5.010 . 0 0 "[ . 1 . 2 ]" 1
179 1 14 CYS HB2 1 18 LYS H 3.400 . 6.000 6.048 5.979 6.184 0.184 19 0 "[ . 1 . 2 ]" 1
180 1 14 CYS HB2 1 19 LEU QB 3.400 . 8.000 4.606 3.906 5.656 . 0 0 "[ . 1 . 2 ]" 1
181 1 14 CYS HB2 1 21 CYS H 3.400 . 6.000 5.968 5.496 6.187 0.187 8 0 "[ . 1 . 2 ]" 1
182 1 14 CYS HB2 1 21 CYS HA 3.400 . 7.000 5.098 4.547 5.438 . 0 0 "[ . 1 . 2 ]" 1
183 1 14 CYS HB2 1 21 CYS QB 3.400 . 6.000 3.022 2.642 3.330 . 0 0 "[ . 1 . 2 ]" 1
184 1 14 CYS HB3 1 15 ARG HA 3.400 . 8.000 4.513 4.316 4.778 . 0 0 "[ . 1 . 2 ]" 1
185 1 14 CYS HB3 1 18 LYS H 3.400 . 6.000 5.218 5.138 5.403 . 0 0 "[ . 1 . 2 ]" 1
186 1 14 CYS HB3 1 19 LEU QB 3.400 . 8.000 3.744 2.651 4.825 . 0 0 "[ . 1 . 2 ]" 1
187 1 14 CYS HB3 1 21 CYS H 3.400 . 6.000 5.011 4.381 5.337 . 0 0 "[ . 1 . 2 ]" 1
188 1 14 CYS HB3 1 21 CYS HA 3.400 . 7.000 4.947 4.374 5.259 . 0 0 "[ . 1 . 2 ]" 1
189 1 14 CYS HB3 1 21 CYS QB 3.400 . 6.000 2.725 2.206 3.035 . 0 0 "[ . 1 . 2 ]" 1
190 1 14 CYS O 1 19 LEU N 2.800 2.700 3.500 3.257 2.913 3.320 . 0 0 "[ . 1 . 2 ]" 1
191 1 15 ARG H 1 15 ARG HA 2.780 2.500 3.330 2.844 2.831 2.904 . 0 0 "[ . 1 . 2 ]" 1
192 1 15 ARG H 1 15 ARG QB 4.500 2.400 4.200 2.394 2.051 3.076 0.349 22 0 "[ . 1 . 2 ]" 1
193 1 15 ARG H 1 16 LEU H 3.810 3.030 4.560 2.994 2.971 3.004 0.059 23 0 "[ . 1 . 2 ]" 1
194 1 15 ARG HA 1 16 LEU H 3.400 . 3.500 3.552 3.545 3.576 0.076 4 0 "[ . 1 . 2 ]" 1
195 1 15 ARG HA 1 18 LYS H 3.400 . 6.000 3.998 3.347 4.141 . 0 0 "[ . 1 . 2 ]" 1
196 1 15 ARG HA 1 18 LYS QG 3.400 . 6.000 4.368 3.811 4.824 . 0 0 "[ . 1 . 2 ]" 1
197 1 15 ARG HA 1 19 LEU H 3.400 . 5.000 4.831 4.643 4.920 . 0 0 "[ . 1 . 2 ]" 1
198 1 15 ARG QD 1 17 LYS H 3.400 . 8.000 6.075 4.944 6.945 . 0 0 "[ . 1 . 2 ]" 1
199 1 15 ARG QG 1 16 LEU H 3.400 . 5.000 3.071 1.631 4.356 0.169 24 0 "[ . 1 . 2 ]" 1
200 1 15 ARG O 1 18 LYS N 2.800 2.700 3.500 3.318 3.017 3.397 . 0 0 "[ . 1 . 2 ]" 1
201 1 16 LEU H 1 16 LEU HA 4.500 2.300 2.900 2.957 2.863 2.976 0.076 8 0 "[ . 1 . 2 ]" 1
202 1 16 LEU HA 1 17 LYS H 3.510 3.160 4.210 3.522 3.487 3.541 . 0 0 "[ . 1 . 2 ]" 1
203 1 16 LEU HA 1 18 LYS H 3.400 . 6.000 4.062 3.932 4.159 . 0 0 "[ . 1 . 2 ]" 1
204 1 16 LEU HA 1 18 LYS QG 3.400 . 7.000 4.604 3.919 5.449 . 0 0 "[ . 1 . 2 ]" 1
205 1 16 LEU QB 1 17 LYS H 2.630 2.370 4.150 2.587 2.309 3.427 0.061 13 0 "[ . 1 . 2 ]" 1
206 1 16 LEU QD 1 17 LYS H 3.490 3.150 5.170 3.590 1.954 4.071 1.196 7 1 "[ . + 1 . 2 ]" 1
207 1 16 LEU HG 1 17 LYS H 3.400 . 6.000 4.215 1.939 5.233 . 0 0 "[ . 1 . 2 ]" 1
208 1 16 LEU HG 1 18 LYS H 3.400 . 8.000 5.921 4.243 6.858 . 0 0 "[ . 1 . 2 ]" 1
209 1 17 LYS H 1 17 LYS HA 2.450 2.210 2.930 2.984 2.962 2.997 0.067 17 0 "[ . 1 . 2 ]" 1
210 1 17 LYS H 1 17 LYS QB 2.250 2.030 3.690 2.339 2.090 2.659 . 0 0 "[ . 1 . 2 ]" 1
211 1 17 LYS H 1 18 LYS H 2.500 2.250 3.000 2.377 2.361 2.472 . 0 0 "[ . 1 . 2 ]" 1
212 1 17 LYS H 1 19 LEU H 3.400 . 4.500 4.549 3.860 4.650 0.150 24 0 "[ . 1 . 2 ]" 1
213 1 17 LYS H 1 19 LEU HG 3.400 . 7.000 6.016 3.669 6.860 . 0 0 "[ . 1 . 2 ]" 1
214 1 17 LYS HA 1 18 LYS H 2.740 2.470 3.280 3.379 3.353 3.409 0.129 4 0 "[ . 1 . 2 ]" 1
215 1 17 LYS QB 1 18 LYS H 3.400 . 4.000 3.074 2.994 3.181 . 0 0 "[ . 1 . 2 ]" 1
216 1 17 LYS QD 1 36 TRP HE3 3.400 . 8.000 5.878 3.948 7.184 . 0 0 "[ . 1 . 2 ]" 1
217 1 17 LYS QD 1 36 TRP HH2 3.400 . 7.000 3.820 2.083 5.269 . 0 0 "[ . 1 . 2 ]" 1
218 1 17 LYS QD 1 36 TRP HZ2 3.400 . 8.000 4.391 3.075 5.666 . 0 0 "[ . 1 . 2 ]" 1
219 1 17 LYS QD 1 36 TRP HZ3 3.400 . 8.000 4.738 2.704 6.125 . 0 0 "[ . 1 . 2 ]" 1
220 1 17 LYS QE 1 36 TRP HH2 3.400 . 5.000 2.889 1.357 4.139 0.443 11 0 "[ . 1 . 2 ]" 1
221 1 17 LYS QE 1 36 TRP HZ2 3.400 . 6.000 2.974 2.167 3.757 . 0 0 "[ . 1 . 2 ]" 1
222 1 17 LYS QE 1 36 TRP HZ3 3.400 . 6.000 4.233 2.483 5.379 . 0 0 "[ . 1 . 2 ]" 1
223 1 18 LYS H 1 18 LYS HA 2.290 2.070 2.730 2.378 2.372 2.400 . 0 0 "[ . 1 . 2 ]" 1
224 1 18 LYS H 1 19 LEU H 2.440 2.200 2.920 2.952 2.547 3.011 0.091 11 0 "[ . 1 . 2 ]" 1
225 1 18 LYS HA 1 19 LEU H 2.390 2.150 2.850 2.252 2.149 2.868 0.018 17 0 "[ . 1 . 2 ]" 1
226 1 18 LYS HB3 1 19 LEU H 3.100 2.900 4.000 4.181 4.132 4.371 0.371 22 0 "[ . 1 . 2 ]" 1
227 1 18 LYS QG 1 19 LEU H 3.000 2.700 4.600 4.261 4.135 4.445 . 0 0 "[ . 1 . 2 ]" 1
228 1 19 LEU H 1 19 LEU HA 2.970 2.670 3.550 3.049 3.035 3.057 . 0 0 "[ . 1 . 2 ]" 1
229 1 19 LEU HA 1 20 LYS H 2.490 2.200 3.070 2.409 2.195 2.564 0.005 11 0 "[ . 1 . 2 ]" 1
230 1 20 LYS H 1 20 LYS HA 2.860 2.680 3.320 3.030 2.992 3.046 . 0 0 "[ . 1 . 2 ]" 1
231 1 20 LYS H 1 21 CYS H 3.400 . 5.000 4.647 4.385 4.700 . 0 0 "[ . 1 . 2 ]" 1
232 1 20 LYS HA 1 21 CYS QB 3.400 . 6.000 3.791 3.685 3.928 . 0 0 "[ . 1 . 2 ]" 1
233 1 20 LYS QB 1 21 CYS H 3.400 . 5.000 2.715 1.625 3.010 0.175 8 0 "[ . 1 . 2 ]" 1
234 1 20 LYS QG 1 21 CYS H 3.400 . 6.000 4.175 2.932 4.642 . 0 0 "[ . 1 . 2 ]" 1
235 1 21 CYS QB 1 22 SER H 3.400 . 5.000 4.082 4.047 4.104 . 0 0 "[ . 1 . 2 ]" 1
236 1 21 CYS QB 1 23 LYS H 3.400 . 6.000 3.988 3.514 4.176 . 0 0 "[ . 1 . 2 ]" 1
237 1 22 SER H 1 22 SER HB3 4.500 2.800 3.600 2.853 2.793 3.006 0.007 21 0 "[ . 1 . 2 ]" 1
238 1 22 SER H 1 28 CYS HB2 3.400 . 6.000 4.358 3.703 4.825 . 0 0 "[ . 1 . 2 ]" 1
239 1 22 SER H 1 28 CYS HB3 3.400 . 6.000 4.629 3.982 4.888 . 0 0 "[ . 1 . 2 ]" 1
240 1 22 SER HA 1 23 LYS QB 3.400 . 5.100 3.971 3.588 4.291 . 0 0 "[ . 1 . 2 ]" 1
241 1 22 SER HA 1 23 LYS QG 3.400 . 5.100 3.958 3.493 4.472 . 0 0 "[ . 1 . 2 ]" 1
242 1 22 SER HA 1 24 GLU HB2 3.400 . 8.000 7.917 7.597 8.065 0.065 6 0 "[ . 1 . 2 ]" 1
243 1 22 SER HA 1 24 GLU HB3 3.400 . 8.000 6.684 6.365 6.912 . 0 0 "[ . 1 . 2 ]" 1
244 1 22 SER HB2 1 24 GLU QG 3.400 . 6.000 3.364 2.629 4.437 . 0 0 "[ . 1 . 2 ]" 1
245 1 22 SER HB2 1 29 ALA MB 3.400 . 8.000 4.836 4.157 5.883 . 0 0 "[ . 1 . 2 ]" 1
246 1 22 SER HB3 1 23 LYS H 4.500 3.500 4.500 4.295 4.130 4.599 0.099 21 0 "[ . 1 . 2 ]" 1
247 1 22 SER HB3 1 24 GLU QG 3.400 . 6.000 4.439 3.823 5.616 . 0 0 "[ . 1 . 2 ]" 1
248 1 22 SER HB3 1 29 ALA MB 3.400 . 8.000 4.719 3.921 5.658 . 0 0 "[ . 1 . 2 ]" 1
249 1 23 LYS H 1 23 LYS QB 2.680 2.420 4.200 3.465 3.055 3.606 . 0 0 "[ . 1 . 2 ]" 1
250 1 23 LYS H 1 24 GLU H 2.830 2.550 3.400 2.765 2.545 3.320 0.005 13 0 "[ . 1 . 2 ]" 1
251 1 23 LYS H 1 28 CYS HB2 3.630 3.270 4.350 3.704 3.458 4.043 . 0 0 "[ . 1 . 2 ]" 1
252 1 23 LYS H 1 28 CYS HB3 3.150 2.850 3.770 2.828 2.813 2.844 0.037 24 0 "[ . 1 . 2 ]" 1
253 1 23 LYS H 1 40 TYR CG 3.400 . 8.500 7.966 7.223 8.546 0.046 13 0 "[ . 1 . 2 ]" 1
254 1 23 LYS H 1 40 TYR CZ 3.400 . 6.000 5.676 4.860 6.189 0.189 21 0 "[ . 1 . 2 ]" 1
255 1 23 LYS HA 1 24 GLU H 2.890 2.610 3.450 3.219 2.533 3.527 0.077 24 0 "[ . 1 . 2 ]" 1
256 1 23 LYS HA 1 28 CYS HB2 3.400 . 5.000 5.087 5.018 5.261 0.261 18 0 "[ . 1 . 2 ]" 1
257 1 23 LYS HA 1 28 CYS HB3 3.400 . 5.000 3.510 3.302 3.737 . 0 0 "[ . 1 . 2 ]" 1
258 1 23 LYS HA 1 40 TYR CG 3.400 . 7.000 5.900 5.219 6.517 . 0 0 "[ . 1 . 2 ]" 1
259 1 23 LYS QB 1 24 GLU H 3.400 . 5.000 3.480 2.720 4.033 . 0 0 "[ . 1 . 2 ]" 1
260 1 23 LYS QB 1 40 TYR CZ 3.400 . 8.000 4.690 3.826 5.265 . 0 0 "[ . 1 . 2 ]" 1
261 1 23 LYS QG 1 24 GLU H 3.400 . 6.000 4.501 3.649 4.967 . 0 0 "[ . 1 . 2 ]" 1
262 1 23 LYS QG 1 40 TYR CG 3.400 . 8.100 6.251 5.583 7.060 . 0 0 "[ . 1 . 2 ]" 1
263 1 23 LYS QG 1 40 TYR CZ 3.400 . 6.000 4.903 4.312 5.430 . 0 0 "[ . 1 . 2 ]" 1
264 1 24 GLU H 1 24 GLU HA 2.600 2.340 3.120 2.833 2.690 3.006 . 0 0 "[ . 1 . 2 ]" 1
265 1 24 GLU H 1 24 GLU HB2 4.500 2.800 4.000 3.735 3.625 3.938 . 0 0 "[ . 1 . 2 ]" 1
266 1 24 GLU H 1 24 GLU HB3 4.500 2.400 3.500 3.041 2.823 3.659 0.159 11 0 "[ . 1 . 2 ]" 1
267 1 24 GLU H 1 24 GLU QG 2.670 2.410 4.200 2.080 1.707 2.890 0.703 4 8 "[* +. *-*1 * * 2 * ]" 1
268 1 24 GLU H 1 25 LYS H 3.400 . 4.600 4.642 4.403 4.691 0.091 17 0 "[ . 1 . 2 ]" 1
269 1 24 GLU H 1 28 CYS HA 2.780 2.510 3.420 3.370 2.505 3.536 0.116 7 0 "[ . 1 . 2 ]" 1
270 1 24 GLU H 1 28 CYS HB2 5.390 4.660 6.490 4.577 4.517 4.603 0.143 18 0 "[ . 1 . 2 ]" 1
271 1 24 GLU H 1 28 CYS HB3 3.610 3.250 4.330 3.789 3.223 4.109 0.027 18 0 "[ . 1 . 2 ]" 1
272 1 24 GLU HA 1 25 LYS H 2.170 . 2.590 2.301 2.174 2.492 . 0 0 "[ . 1 . 2 ]" 1
273 1 24 GLU HA 1 25 LYS HB2 3.400 . 7.000 4.213 4.006 4.545 . 0 0 "[ . 1 . 2 ]" 1
274 1 24 GLU HA 1 25 LYS HB3 3.400 . 7.000 5.400 5.354 5.468 . 0 0 "[ . 1 . 2 ]" 1
275 1 24 GLU HA 1 25 LYS QG 3.400 . 7.000 3.286 2.837 3.932 . 0 0 "[ . 1 . 2 ]" 1
276 1 24 GLU HA 1 28 CYS HA 3.400 . 4.400 4.516 4.315 4.706 0.306 18 0 "[ . 1 . 2 ]" 1
277 1 24 GLU HB2 1 25 LYS H 2.350 2.140 2.900 2.377 2.138 2.571 0.002 20 0 "[ . 1 . 2 ]" 1
278 1 24 GLU HB2 1 28 CYS H 3.400 . 7.000 5.767 5.585 6.143 . 0 0 "[ . 1 . 2 ]" 1
279 1 24 GLU HB2 1 28 CYS HA 3.400 . 4.000 3.425 3.179 4.005 0.005 20 0 "[ . 1 . 2 ]" 1
280 1 24 GLU HB2 1 28 CYS HB2 3.400 . 7.000 5.808 5.498 6.476 . 0 0 "[ . 1 . 2 ]" 1
281 1 24 GLU HB2 1 28 CYS HB3 3.400 . 7.000 5.537 5.215 6.132 . 0 0 "[ . 1 . 2 ]" 1
282 1 24 GLU HB2 1 29 ALA H 3.400 . 5.200 4.723 4.293 5.272 0.072 11 0 "[ . 1 . 2 ]" 1
283 1 24 GLU HB3 1 25 LYS H 2.420 2.140 3.300 3.335 3.272 3.399 0.099 20 0 "[ . 1 . 2 ]" 1
284 1 24 GLU HB3 1 28 CYS H 3.400 . 7.000 6.798 6.648 6.895 . 0 0 "[ . 1 . 2 ]" 1
285 1 24 GLU HB3 1 28 CYS HA 3.400 . 4.000 4.125 4.095 4.205 0.205 18 0 "[ . 1 . 2 ]" 1
286 1 24 GLU HB3 1 28 CYS HB2 3.400 . 7.000 6.027 5.917 6.310 . 0 0 "[ . 1 . 2 ]" 1
287 1 24 GLU HB3 1 28 CYS HB3 3.400 . 7.000 5.799 5.551 5.976 . 0 0 "[ . 1 . 2 ]" 1
288 1 24 GLU HB3 1 29 ALA H 3.400 . 5.200 4.889 4.601 5.206 0.006 18 0 "[ . 1 . 2 ]" 1
289 1 24 GLU QG 1 25 LYS H 3.400 . 4.500 4.123 3.985 4.220 . 0 0 "[ . 1 . 2 ]" 1
290 1 24 GLU QG 1 28 CYS H 3.400 . 8.000 3.968 3.745 4.160 . 0 0 "[ . 1 . 2 ]" 1
291 1 24 GLU QG 1 28 CYS HA 3.400 . 5.000 1.263 1.118 1.572 0.682 16 16 "[*** ** * *** *.+*-** * ]" 1
292 1 25 LYS H 1 25 LYS HA 2.830 2.550 3.390 3.062 3.058 3.076 . 0 0 "[ . 1 . 2 ]" 1
293 1 25 LYS H 1 25 LYS HB2 2.350 2.120 2.820 2.827 2.717 2.885 0.065 21 0 "[ . 1 . 2 ]" 1
294 1 25 LYS H 1 25 LYS QG 2.450 2.210 3.930 3.244 2.869 3.542 . 0 0 "[ . 1 . 2 ]" 1
295 1 25 LYS H 1 26 PRO HA 3.400 . 5.100 5.006 4.970 5.039 . 0 0 "[ . 1 . 2 ]" 1
296 1 25 LYS H 1 27 LYS H 3.400 . 5.100 5.197 5.142 5.257 0.157 13 0 "[ . 1 . 2 ]" 1
297 1 25 LYS H 1 27 LYS QG 3.400 . 8.000 6.545 5.794 7.143 . 0 0 "[ . 1 . 2 ]" 1
298 1 25 LYS HA 1 26 PRO HD2 3.400 2.800 5.100 4.441 4.424 4.455 . 0 0 "[ . 1 . 2 ]" 1
299 1 25 LYS HA 1 26 PRO HD3 3.400 2.800 5.100 4.585 4.487 4.653 . 0 0 "[ . 1 . 2 ]" 1
300 1 25 LYS HA 1 27 LYS HA 3.400 . 6.000 4.028 3.740 4.387 . 0 0 "[ . 1 . 2 ]" 1
301 1 25 LYS HA 1 40 TYR CZ 3.400 . 5.500 4.267 3.671 4.495 . 0 0 "[ . 1 . 2 ]" 1
302 1 25 LYS HB2 1 26 PRO HA 3.400 . 4.000 3.850 3.648 4.024 0.024 20 0 "[ . 1 . 2 ]" 1
303 1 25 LYS HB2 1 27 LYS H 3.400 . 6.000 5.848 5.684 5.962 . 0 0 "[ . 1 . 2 ]" 1
304 1 25 LYS HB2 1 40 TYR CG 3.400 . 8.000 7.735 7.150 8.314 0.314 21 0 "[ . 1 . 2 ]" 1
305 1 25 LYS HB2 1 40 TYR CZ 3.400 . 8.000 6.175 5.586 6.778 . 0 0 "[ . 1 . 2 ]" 1
306 1 25 LYS HB3 1 26 PRO HA 3.400 . 4.000 2.332 2.095 2.643 . 0 0 "[ . 1 . 2 ]" 1
307 1 25 LYS HB3 1 27 LYS H 3.400 . 6.000 5.142 4.937 5.427 . 0 0 "[ . 1 . 2 ]" 1
308 1 25 LYS HB3 1 40 TYR CG 3.400 . 8.000 6.665 6.072 7.279 . 0 0 "[ . 1 . 2 ]" 1
309 1 25 LYS HB3 1 40 TYR CZ 3.400 . 8.000 5.531 4.623 6.237 . 0 0 "[ . 1 . 2 ]" 1
310 1 25 LYS QD 1 40 TYR CG 3.400 . 8.000 5.502 3.143 7.202 . 0 0 "[ . 1 . 2 ]" 1
311 1 25 LYS QD 1 40 TYR CZ 3.400 . 7.000 4.555 1.967 5.776 . 0 0 "[ . 1 . 2 ]" 1
312 1 25 LYS QE 1 40 TYR CG 3.400 . 8.000 5.628 3.011 7.117 . 0 0 "[ . 1 . 2 ]" 1
313 1 25 LYS QE 1 40 TYR CZ 3.400 . 8.000 4.938 2.888 6.452 . 0 0 "[ . 1 . 2 ]" 1
314 1 25 LYS QG 1 26 PRO HA 3.400 . 6.000 3.415 3.046 4.007 . 0 0 "[ . 1 . 2 ]" 1
315 1 25 LYS QG 1 27 LYS H 3.400 . 8.000 5.504 5.220 6.366 . 0 0 "[ . 1 . 2 ]" 1
316 1 25 LYS QG 1 27 LYS HA 3.400 . 9.000 5.467 4.972 6.845 . 0 0 "[ . 1 . 2 ]" 1
317 1 25 LYS QG 1 28 CYS HA 3.400 . 8.000 5.394 4.988 7.116 . 0 0 "[ . 1 . 2 ]" 1
318 1 25 LYS QG 1 40 TYR CG 3.400 . 6.500 4.675 4.178 5.597 . 0 0 "[ . 1 . 2 ]" 1
319 1 25 LYS QG 1 40 TYR CZ 3.400 . 5.500 3.273 2.554 4.825 . 0 0 "[ . 1 . 2 ]" 1
320 1 26 PRO HA 1 27 LYS HA 3.400 . 5.000 4.573 4.526 4.609 . 0 0 "[ . 1 . 2 ]" 1
321 1 26 PRO HA 1 40 TYR CZ 3.400 . 7.000 5.199 4.277 5.733 . 0 0 "[ . 1 . 2 ]" 1
322 1 26 PRO HB2 1 27 LYS HA 3.400 . 7.000 4.173 3.945 4.324 . 0 0 "[ . 1 . 2 ]" 1
323 1 26 PRO HB2 1 27 LYS QG 3.400 . 8.000 2.893 2.231 4.161 . 0 0 "[ . 1 . 2 ]" 1
324 1 26 PRO HB3 1 27 LYS HA 3.400 . 7.000 5.683 5.537 5.780 . 0 0 "[ . 1 . 2 ]" 1
325 1 26 PRO HB3 1 27 LYS QG 3.400 . 8.000 4.300 3.866 5.183 . 0 0 "[ . 1 . 2 ]" 1
326 1 26 PRO HD2 1 27 LYS QB 3.400 . 7.000 5.357 4.903 5.641 . 0 0 "[ . 1 . 2 ]" 1
327 1 26 PRO HD3 1 27 LYS H 5.150 4.040 7.450 3.974 3.965 3.980 0.075 3 0 "[ . 1 . 2 ]" 1
328 1 26 PRO HD3 1 27 LYS QB 3.400 . 7.300 6.408 6.099 6.564 . 0 0 "[ . 1 . 2 ]" 1
329 1 26 PRO QG 1 27 LYS H 2.750 2.480 4.300 1.679 1.635 1.707 0.845 20 24 [**************-****+****] 1
330 1 26 PRO QG 1 27 LYS QG 3.400 . 8.000 2.102 1.775 2.668 0.025 2 0 "[ . 1 . 2 ]" 1
331 1 26 PRO QG 1 40 TYR CG 3.400 . 9.300 8.147 7.363 8.582 . 0 0 "[ . 1 . 2 ]" 1
332 1 26 PRO QG 1 40 TYR CZ 3.400 . 8.200 7.271 6.600 7.608 . 0 0 "[ . 1 . 2 ]" 1
333 1 27 LYS H 1 27 LYS HA 2.520 2.270 3.120 3.058 3.044 3.073 . 0 0 "[ . 1 . 2 ]" 1
334 1 27 LYS H 1 27 LYS QB 2.630 2.370 4.150 2.966 2.599 3.164 . 0 0 "[ . 1 . 2 ]" 1
335 1 27 LYS H 1 28 CYS H 4.500 2.500 4.500 4.557 4.534 4.589 0.089 11 0 "[ . 1 . 2 ]" 1
336 1 27 LYS H 1 32 LEU HG 3.400 . 6.100 5.902 5.271 6.124 0.024 10 0 "[ . 1 . 2 ]" 1
337 1 27 LYS H 1 38 CYS HB2 3.400 . 7.000 5.133 4.969 5.241 . 0 0 "[ . 1 . 2 ]" 1
338 1 27 LYS H 1 38 CYS HB3 3.400 . 7.000 4.447 4.120 4.659 . 0 0 "[ . 1 . 2 ]" 1
339 1 27 LYS HA 1 28 CYS H 2.090 . 2.490 2.120 2.055 2.205 . 0 0 "[ . 1 . 2 ]" 1
340 1 27 LYS HA 1 28 CYS HA 3.400 . 5.000 4.390 4.338 4.435 . 0 0 "[ . 1 . 2 ]" 1
341 1 27 LYS HA 1 31 CYS H 3.400 . 5.000 5.074 4.967 5.142 0.142 24 0 "[ . 1 . 2 ]" 1
342 1 27 LYS HA 1 31 CYS HB2 3.400 . 7.000 3.429 3.270 3.536 . 0 0 "[ . 1 . 2 ]" 1
343 1 27 LYS HA 1 31 CYS HB3 3.400 . 7.000 4.744 4.601 4.897 . 0 0 "[ . 1 . 2 ]" 1
344 1 27 LYS HA 1 32 LEU H 3.400 . 5.200 5.104 4.889 5.261 0.061 13 0 "[ . 1 . 2 ]" 1
345 1 27 LYS HA 1 32 LEU HA 3.400 . 6.600 6.513 6.241 6.718 0.118 13 0 "[ . 1 . 2 ]" 1
346 1 27 LYS HA 1 38 CYS H 4.500 3.600 4.600 4.654 4.600 4.715 0.115 2 0 "[ . 1 . 2 ]" 1
347 1 27 LYS HA 1 38 CYS HA 3.400 . 6.000 4.654 4.571 4.714 . 0 0 "[ . 1 . 2 ]" 1
348 1 27 LYS HA 1 38 CYS HB3 3.400 . 5.000 2.337 2.183 2.472 . 0 0 "[ . 1 . 2 ]" 1
349 1 27 LYS HA 1 40 TYR CG 4.500 3.200 6.000 6.034 5.503 6.308 0.308 7 0 "[ . 1 . 2 ]" 1
350 1 27 LYS HA 1 40 TYR CZ 4.500 2.600 5.300 4.722 4.011 5.409 0.109 3 0 "[ . 1 . 2 ]" 1
351 1 27 LYS QB 1 28 CYS H 2.590 2.340 4.100 3.095 2.991 3.187 . 0 0 "[ . 1 . 2 ]" 1
352 1 27 LYS QB 1 28 CYS HA 3.400 . 6.000 4.612 4.517 4.690 . 0 0 "[ . 1 . 2 ]" 1
353 1 27 LYS QB 1 29 ALA CB 3.400 . 8.000 6.823 6.617 6.990 . 0 0 "[ . 1 . 2 ]" 1
354 1 27 LYS QB 1 31 CYS HB2 3.400 . 7.000 1.754 1.348 2.097 0.452 11 0 "[ . 1 . 2 ]" 1
355 1 27 LYS QB 1 31 CYS HB3 3.400 . 7.000 2.835 2.542 3.157 . 0 0 "[ . 1 . 2 ]" 1
356 1 27 LYS QB 1 32 LEU H 3.400 . 5.100 2.724 2.263 3.018 . 0 0 "[ . 1 . 2 ]" 1
357 1 27 LYS QB 1 32 LEU HA 3.400 . 6.000 3.560 3.214 3.907 . 0 0 "[ . 1 . 2 ]" 1
358 1 27 LYS QB 1 38 CYS H 3.130 2.800 4.600 3.442 2.994 3.933 . 0 0 "[ . 1 . 2 ]" 1
359 1 27 LYS QB 1 38 CYS HA 3.400 . 6.000 4.587 4.163 5.033 . 0 0 "[ . 1 . 2 ]" 1
360 1 27 LYS QB 1 38 CYS HB2 3.400 . 7.000 2.159 1.764 2.614 0.036 5 0 "[ . 1 . 2 ]" 1
361 1 27 LYS QB 1 38 CYS HB3 3.400 . 7.000 2.671 2.101 3.254 . 0 0 "[ . 1 . 2 ]" 1
362 1 27 LYS QB 1 40 TYR CZ 3.400 . 8.500 6.395 5.762 7.049 . 0 0 "[ . 1 . 2 ]" 1
363 1 27 LYS QD 1 38 CYS HA 3.400 . 8.000 5.864 3.779 6.869 . 0 0 "[ . 1 . 2 ]" 1
364 1 27 LYS QD 1 38 CYS HB2 3.400 . 8.000 3.906 2.275 4.810 . 0 0 "[ . 1 . 2 ]" 1
365 1 27 LYS QD 1 38 CYS HB3 3.400 . 8.000 3.819 1.632 4.936 0.168 1 0 "[ . 1 . 2 ]" 1
366 1 27 LYS QE 1 28 CYS H 3.400 . 7.100 5.976 4.511 6.478 . 0 0 "[ . 1 . 2 ]" 1
367 1 27 LYS QG 1 28 CYS H 3.930 3.540 5.710 4.541 4.298 4.755 . 0 0 "[ . 1 . 2 ]" 1
368 1 27 LYS QG 1 31 CYS HB2 3.400 . 8.000 3.790 3.060 4.195 . 0 0 "[ . 1 . 2 ]" 1
369 1 27 LYS QG 1 31 CYS HB3 3.400 . 8.000 4.339 3.300 5.066 . 0 0 "[ . 1 . 2 ]" 1
370 1 27 LYS QG 1 38 CYS HA 3.400 . 8.000 5.709 4.483 6.783 . 0 0 "[ . 1 . 2 ]" 1
371 1 27 LYS QG 1 38 CYS HB2 3.400 . 8.000 3.669 2.434 4.592 . 0 0 "[ . 1 . 2 ]" 1
372 1 27 LYS QG 1 38 CYS HB3 3.400 . 8.000 3.184 1.889 4.480 . 0 0 "[ . 1 . 2 ]" 1
373 1 27 LYS QG 1 40 TYR CZ 3.400 . 8.100 6.855 6.011 7.400 . 0 0 "[ . 1 . 2 ]" 1
374 1 28 CYS H 1 28 CYS HA 3.750 2.700 4.500 2.884 2.845 2.913 . 0 0 "[ . 1 . 2 ]" 1
375 1 28 CYS H 1 28 CYS HB2 2.910 2.620 3.600 3.690 3.673 3.717 0.117 11 0 "[ . 1 . 2 ]" 1
376 1 28 CYS H 1 28 CYS HB3 4.500 2.500 3.400 2.950 2.884 3.025 . 0 0 "[ . 1 . 2 ]" 1
377 1 28 CYS H 1 29 ALA H 3.400 . 5.000 4.622 4.599 4.656 . 0 0 "[ . 1 . 2 ]" 1
378 1 28 CYS H 1 31 CYS H 3.611 2.700 3.800 3.867 3.820 3.968 0.168 6 0 "[ . 1 . 2 ]" 1
379 1 28 CYS H 1 31 CYS HB2 4.500 3.500 4.500 3.467 3.451 3.479 0.049 6 0 "[ . 1 . 2 ]" 1
380 1 28 CYS H 1 31 CYS HB3 4.500 3.100 5.000 5.075 5.028 5.116 0.116 2 0 "[ . 1 . 2 ]" 1
381 1 28 CYS H 1 32 LEU H 4.500 2.900 4.700 4.656 4.543 4.739 0.039 20 0 "[ . 1 . 2 ]" 1
382 1 28 CYS H 1 38 CYS HB2 3.400 . 8.000 3.353 3.225 3.464 . 0 0 "[ . 1 . 2 ]" 1
383 1 28 CYS H 1 38 CYS HB3 3.400 . 8.000 3.966 3.828 4.123 . 0 0 "[ . 1 . 2 ]" 1
384 1 28 CYS H 1 38 CYS SG 2.800 . 2.800 2.813 2.755 2.835 0.035 3 0 "[ . 1 . 2 ]" 1
385 1 28 CYS H 1 40 TYR CG 3.400 . 8.000 6.321 5.732 6.851 . 0 0 "[ . 1 . 2 ]" 1
386 1 28 CYS H 1 40 TYR CZ 4.500 3.100 6.000 4.485 3.589 5.372 . 0 0 "[ . 1 . 2 ]" 1
387 1 28 CYS HA 1 29 ALA CB 3.400 . 6.000 4.964 4.902 5.011 . 0 0 "[ . 1 . 2 ]" 1
388 1 28 CYS HA 1 29 ALA H 2.650 2.400 3.170 2.539 2.467 2.585 . 0 0 "[ . 1 . 2 ]" 1
389 1 28 CYS HA 1 29 ALA HA 3.400 . 7.000 4.468 4.430 4.519 . 0 0 "[ . 1 . 2 ]" 1
390 1 28 CYS HA 1 40 TYR CZ 3.400 . 7.000 5.444 4.872 6.226 . 0 0 "[ . 1 . 2 ]" 1
391 1 28 CYS HB2 1 29 ALA H 3.180 . 4.800 1.962 1.897 2.074 . 0 0 "[ . 1 . 2 ]" 1
392 1 28 CYS HB2 1 30 LYS H 3.400 . 6.000 2.401 2.217 2.612 . 0 0 "[ . 1 . 2 ]" 1
393 1 28 CYS HB2 1 31 CYS H 3.400 . 6.000 3.962 3.737 4.096 . 0 0 "[ . 1 . 2 ]" 1
394 1 28 CYS HB2 1 38 CYS H 3.400 . 8.500 8.681 8.545 8.777 0.277 14 0 "[ . 1 . 2 ]" 1
395 1 28 CYS HB2 1 40 TYR CZ 3.400 . 8.000 6.630 5.813 7.576 . 0 0 "[ . 1 . 2 ]" 1
396 1 28 CYS HB3 1 29 ALA H 2.650 2.400 3.170 3.238 3.213 3.262 0.092 24 0 "[ . 1 . 2 ]" 1
397 1 28 CYS HB3 1 30 LYS H 3.400 . 6.000 4.119 3.953 4.307 . 0 0 "[ . 1 . 2 ]" 1
398 1 28 CYS HB3 1 31 CYS H 3.400 . 6.000 4.781 4.667 4.854 . 0 0 "[ . 1 . 2 ]" 1
399 1 28 CYS HB3 1 38 CYS H 3.400 . 8.500 8.337 8.193 8.454 . 0 0 "[ . 1 . 2 ]" 1
400 1 28 CYS HB3 1 40 TYR CZ 3.400 . 8.000 4.914 4.109 5.850 . 0 0 "[ . 1 . 2 ]" 1
401 1 28 CYS O 1 32 LEU N 2.800 2.700 3.500 3.461 3.364 3.499 . 0 0 "[ . 1 . 2 ]" 1
402 1 28 CYS SG 1 31 CYS H 2.800 . 2.800 2.735 2.725 2.748 . 0 0 "[ . 1 . 2 ]" 1
403 1 29 ALA CB 1 29 ALA H 2.460 2.220 2.940 2.555 2.551 2.561 . 0 0 "[ . 1 . 2 ]" 1
404 1 29 ALA CB 1 30 LYS H 2.370 2.140 2.830 2.905 2.867 2.939 0.109 13 0 "[ . 1 . 2 ]" 1
405 1 29 ALA H 1 29 ALA HA 2.530 2.280 3.030 2.945 2.910 2.968 . 0 0 "[ . 1 . 2 ]" 1
406 1 29 ALA H 1 30 LYS H 3.400 . 5.000 2.587 2.505 2.694 . 0 0 "[ . 1 . 2 ]" 1
407 1 29 ALA H 1 32 LEU CG 3.400 . 7.200 7.312 7.173 7.372 0.172 12 0 "[ . 1 . 2 ]" 1
408 1 29 ALA HA 1 30 LYS QB 3.400 . 6.000 5.134 5.065 5.306 . 0 0 "[ . 1 . 2 ]" 1
409 1 29 ALA HA 1 32 LEU CG 3.400 . 5.000 4.881 4.629 5.026 0.026 18 0 "[ . 1 . 2 ]" 1
410 1 29 ALA HA 1 32 LEU HB2 3.400 . 5.000 4.049 3.562 4.561 . 0 0 "[ . 1 . 2 ]" 1
411 1 29 ALA HA 1 32 LEU HB3 3.400 . 5.000 3.109 2.950 3.296 . 0 0 "[ . 1 . 2 ]" 1
412 1 29 ALA O 1 33 LYS N 2.800 2.700 3.500 3.084 2.973 3.139 . 0 0 "[ . 1 . 2 ]" 1
413 1 30 LYS H 1 30 LYS QB 2.330 2.100 3.800 2.127 2.020 2.574 0.080 13 0 "[ . 1 . 2 ]" 1
414 1 30 LYS H 1 31 CYS H 2.700 2.430 3.240 3.194 2.927 3.290 0.050 3 0 "[ . 1 . 2 ]" 1
415 1 30 LYS HA 1 33 LYS HB2 3.400 . 5.000 2.920 2.374 3.178 . 0 0 "[ . 1 . 2 ]" 1
416 1 30 LYS HA 1 33 LYS HB3 3.400 . 5.000 4.518 3.984 4.783 . 0 0 "[ . 1 . 2 ]" 1
417 1 30 LYS HA 1 33 LYS QG 3.400 . 5.000 3.416 2.590 4.101 . 0 0 "[ . 1 . 2 ]" 1
418 1 30 LYS QB 1 31 CYS H 2.360 2.130 3.920 2.031 1.739 3.295 0.391 21 0 "[ . 1 . 2 ]" 1
419 1 30 LYS QB 1 32 LEU H 3.400 . 6.000 4.266 4.103 4.940 . 0 0 "[ . 1 . 2 ]" 1
420 1 30 LYS QB 1 33 LYS H 3.400 . 5.200 4.770 4.688 4.837 . 0 0 "[ . 1 . 2 ]" 1
421 1 30 LYS QB 1 34 ASN HD21 3.400 . 7.500 5.282 4.066 6.860 . 0 0 "[ . 1 . 2 ]" 1
422 1 30 LYS QB 1 34 ASN HD22 3.400 . 7.500 6.189 5.296 6.777 . 0 0 "[ . 1 . 2 ]" 1
423 1 30 LYS QB 1 36 TRP HE3 3.400 . 6.000 3.339 2.494 4.890 . 0 0 "[ . 1 . 2 ]" 1
424 1 30 LYS QB 1 36 TRP HH2 3.400 . 6.000 5.239 4.331 5.491 . 0 0 "[ . 1 . 2 ]" 1
425 1 30 LYS QB 1 36 TRP HZ3 4.500 2.900 4.700 3.122 1.979 3.974 0.921 2 2 "[ + . - 1 . 2 ]" 1
426 1 30 LYS QD 1 34 ASN HD21 3.400 . 7.000 3.949 2.442 5.925 . 0 0 "[ . 1 . 2 ]" 1
427 1 30 LYS QD 1 34 ASN HD22 3.400 . 7.000 4.293 3.040 6.065 . 0 0 "[ . 1 . 2 ]" 1
428 1 30 LYS QD 1 36 TRP HH2 3.400 . 7.000 3.533 2.680 4.338 . 0 0 "[ . 1 . 2 ]" 1
429 1 30 LYS QD 1 36 TRP HZ2 3.400 . 7.000 5.612 4.718 6.348 . 0 0 "[ . 1 . 2 ]" 1
430 1 30 LYS QD 1 36 TRP HZ3 4.500 2.400 5.700 2.567 1.695 3.833 0.705 12 5 "[ . * 1 +- . ** ]" 1
431 1 30 LYS QE 1 36 TRP HH2 3.400 . 5.000 3.194 1.838 4.597 . 0 0 "[ . 1 . 2 ]" 1
432 1 30 LYS QE 1 36 TRP HZ2 3.400 . 8.000 5.342 4.068 6.683 . 0 0 "[ . 1 . 2 ]" 1
433 1 30 LYS QE 1 36 TRP HZ3 3.400 . 5.000 2.766 1.400 3.973 0.400 23 0 "[ . 1 . 2 ]" 1
434 1 30 LYS QG 1 31 CYS H 2.360 . 4.020 3.640 2.441 3.888 . 0 0 "[ . 1 . 2 ]" 1
435 1 30 LYS QG 1 34 ASN HD21 3.400 . 7.000 4.522 2.551 6.225 . 0 0 "[ . 1 . 2 ]" 1
436 1 30 LYS QG 1 34 ASN HD22 3.400 . 7.000 5.198 3.584 6.277 . 0 0 "[ . 1 . 2 ]" 1
437 1 30 LYS QG 1 36 TRP HE3 3.400 . 6.000 3.243 2.156 4.746 . 0 0 "[ . 1 . 2 ]" 1
438 1 30 LYS QG 1 36 TRP HH2 3.400 . 7.000 3.777 3.132 5.560 . 0 0 "[ . 1 . 2 ]" 1
439 1 30 LYS QG 1 36 TRP HZ3 4.500 2.400 5.300 1.797 1.520 3.779 0.880 3 21 "[* +**-* **** ***********]" 1
440 1 30 LYS O 1 34 ASN N 2.800 2.700 3.500 3.179 3.069 3.366 . 0 0 "[ . 1 . 2 ]" 1
441 1 31 CYS H 1 31 CYS HA 4.500 2.300 2.900 2.919 2.897 2.976 0.076 13 0 "[ . 1 . 2 ]" 1
442 1 31 CYS H 1 31 CYS HB2 2.350 2.120 2.810 2.652 2.562 2.719 . 0 0 "[ . 1 . 2 ]" 1
443 1 31 CYS H 1 31 CYS HB3 2.720 2.450 3.660 3.696 3.673 3.733 0.073 17 0 "[ . 1 . 2 ]" 1
444 1 31 CYS H 1 32 LEU H 2.380 2.150 3.850 2.644 2.406 2.753 . 0 0 "[ . 1 . 2 ]" 1
445 1 31 CYS H 1 36 TRP HB2 3.400 . 6.500 4.356 4.287 4.501 . 0 0 "[ . 1 . 2 ]" 1
446 1 31 CYS H 1 36 TRP HB3 3.400 . 6.500 5.550 5.446 5.736 . 0 0 "[ . 1 . 2 ]" 1
447 1 31 CYS H 1 38 CYS HB2 3.400 . 7.000 4.365 4.202 4.507 . 0 0 "[ . 1 . 2 ]" 1
448 1 31 CYS H 1 38 CYS HB3 3.400 . 7.000 5.972 5.834 6.126 . 0 0 "[ . 1 . 2 ]" 1
449 1 31 CYS HA 1 33 LYS H 3.400 . 4.000 3.935 3.818 4.012 0.012 11 0 "[ . 1 . 2 ]" 1
450 1 31 CYS HA 1 34 ASN HB2 3.400 2.700 4.000 3.100 2.702 3.354 . 0 0 "[ . 1 . 2 ]" 1
451 1 31 CYS HA 1 34 ASN HB3 4.400 3.200 5.000 4.434 4.368 4.539 . 0 0 "[ . 1 . 2 ]" 1
452 1 31 CYS HA 1 35 ASN HA 3.400 . 6.000 5.065 4.987 5.272 . 0 0 "[ . 1 . 2 ]" 1
453 1 31 CYS HA 1 36 TRP H 2.940 2.650 3.420 3.421 2.644 3.495 0.075 22 0 "[ . 1 . 2 ]" 1
454 1 31 CYS HA 1 36 TRP HA 3.400 . 5.000 4.808 4.684 4.886 . 0 0 "[ . 1 . 2 ]" 1
455 1 31 CYS HA 1 36 TRP HB2 3.400 . 5.000 1.898 1.887 1.956 . 0 0 "[ . 1 . 2 ]" 1
456 1 31 CYS HA 1 36 TRP HB3 3.400 . 5.000 3.415 3.359 3.598 . 0 0 "[ . 1 . 2 ]" 1
457 1 31 CYS HA 1 36 TRP HD1 3.400 . 7.000 5.052 4.982 5.154 . 0 0 "[ . 1 . 2 ]" 1
458 1 31 CYS HA 1 36 TRP HE3 3.400 . 3.500 1.920 1.890 2.296 . 0 0 "[ . 1 . 2 ]" 1
459 1 31 CYS HA 1 36 TRP HH2 3.400 . 8.000 5.568 5.399 6.013 . 0 0 "[ . 1 . 2 ]" 1
460 1 31 CYS HA 1 36 TRP HZ3 4.500 3.100 4.800 3.873 3.733 4.324 . 0 0 "[ . 1 . 2 ]" 1
461 1 31 CYS HA 1 37 GLU H 4.500 3.600 5.300 5.407 5.233 5.479 0.179 13 0 "[ . 1 . 2 ]" 1
462 1 31 CYS HA 1 37 GLU HA 3.400 . 7.000 6.726 6.167 6.911 . 0 0 "[ . 1 . 2 ]" 1
463 1 31 CYS HA 1 38 CYS HA 3.400 . 7.000 6.018 5.841 6.166 . 0 0 "[ . 1 . 2 ]" 1
464 1 31 CYS HA 1 38 CYS HB2 3.400 . 5.500 4.823 4.662 5.016 . 0 0 "[ . 1 . 2 ]" 1
465 1 31 CYS HA 1 38 CYS HB3 3.400 . 6.700 6.481 6.313 6.713 0.013 3 0 "[ . 1 . 2 ]" 1
466 1 31 CYS HB2 1 32 LEU HB2 3.400 . 8.000 4.444 4.295 4.768 . 0 0 "[ . 1 . 2 ]" 1
467 1 31 CYS HB2 1 32 LEU HB3 3.400 . 8.000 5.261 4.975 5.547 . 0 0 "[ . 1 . 2 ]" 1
468 1 31 CYS HB2 1 33 LYS H 3.400 . 6.000 4.955 4.910 5.197 . 0 0 "[ . 1 . 2 ]" 1
469 1 31 CYS HB2 1 34 ASN HB2 3.400 . 6.350 6.135 5.717 6.357 0.007 4 0 "[ . 1 . 2 ]" 1
470 1 31 CYS HB2 1 34 ASN HB3 3.400 . 7.350 7.433 7.360 7.488 0.138 4 0 "[ . 1 . 2 ]" 1
471 1 31 CYS HB2 1 36 TRP HB2 3.400 . 8.000 3.428 3.391 3.687 . 0 0 "[ . 1 . 2 ]" 1
472 1 31 CYS HB2 1 36 TRP HB3 3.400 . 8.000 4.548 4.456 4.950 . 0 0 "[ . 1 . 2 ]" 1
473 1 31 CYS HB2 1 38 CYS HB2 3.400 . 6.000 2.225 1.899 2.329 . 0 0 "[ . 1 . 2 ]" 1
474 1 31 CYS HB2 1 38 CYS HB3 3.400 . 6.000 3.723 3.484 3.905 . 0 0 "[ . 1 . 2 ]" 1
475 1 31 CYS HB2 1 39 ARG H 3.400 . 6.500 6.483 6.083 6.642 0.142 17 0 "[ . 1 . 2 ]" 1
476 1 31 CYS HB3 1 32 LEU H 3.370 3.040 4.030 3.850 3.795 4.109 0.079 2 0 "[ . 1 . 2 ]" 1
477 1 31 CYS HB3 1 32 LEU HB2 3.400 . 8.000 5.528 5.407 5.828 . 0 0 "[ . 1 . 2 ]" 1
478 1 31 CYS HB3 1 32 LEU HB3 3.400 . 8.000 6.274 6.036 6.527 . 0 0 "[ . 1 . 2 ]" 1
479 1 31 CYS HB3 1 33 LYS H 3.400 . 6.000 5.425 5.338 5.660 . 0 0 "[ . 1 . 2 ]" 1
480 1 31 CYS HB3 1 34 ASN HB2 3.400 . 6.000 5.383 4.845 5.627 . 0 0 "[ . 1 . 2 ]" 1
481 1 31 CYS HB3 1 34 ASN HB3 3.400 . 7.000 6.382 6.301 6.451 . 0 0 "[ . 1 . 2 ]" 1
482 1 31 CYS HB3 1 36 TRP HB2 3.400 . 8.000 1.912 1.894 2.260 . 0 0 "[ . 1 . 2 ]" 1
483 1 31 CYS HB3 1 36 TRP HB3 3.400 . 8.000 2.970 2.853 3.407 . 0 0 "[ . 1 . 2 ]" 1
484 1 31 CYS HB3 1 38 CYS HB2 3.400 . 6.000 2.719 2.507 2.874 . 0 0 "[ . 1 . 2 ]" 1
485 1 31 CYS HB3 1 38 CYS HB3 3.400 . 6.000 4.170 3.984 4.404 . 0 0 "[ . 1 . 2 ]" 1
486 1 31 CYS HB3 1 39 ARG H 3.400 . 6.500 6.129 5.748 6.271 . 0 0 "[ . 1 . 2 ]" 1
487 1 31 CYS O 1 36 TRP N 2.800 2.700 3.500 3.024 2.967 3.141 . 0 0 "[ . 1 . 2 ]" 1
488 1 32 LEU CG 1 33 LYS H 3.400 . 5.000 4.360 4.120 4.506 . 0 0 "[ . 1 . 2 ]" 1
489 1 32 LEU CG 1 33 LYS HA 3.400 . 7.000 4.804 4.487 5.114 . 0 0 "[ . 1 . 2 ]" 1
490 1 32 LEU CG 1 34 ASN H 3.400 . 7.000 5.944 5.764 6.092 . 0 0 "[ . 1 . 2 ]" 1
491 1 32 LEU CG 1 35 ASN H 3.400 . 6.500 5.742 5.632 5.919 . 0 0 "[ . 1 . 2 ]" 1
492 1 32 LEU H 1 32 LEU HB2 2.570 2.320 3.070 2.536 2.317 2.760 0.003 18 0 "[ . 1 . 2 ]" 1
493 1 32 LEU H 1 32 LEU HB3 4.500 2.100 2.900 2.630 2.398 2.896 . 0 0 "[ . 1 . 2 ]" 1
494 1 32 LEU H 1 32 LEU QD 2.930 2.640 5.510 3.823 3.713 3.889 . 0 0 "[ . 1 . 2 ]" 1
495 1 32 LEU H 1 33 LYS HA 3.400 . 6.000 5.284 5.224 5.324 . 0 0 "[ . 1 . 2 ]" 1
496 1 32 LEU H 1 33 LYS HB2 3.400 . 7.000 4.702 4.622 4.770 . 0 0 "[ . 1 . 2 ]" 1
497 1 32 LEU H 1 33 LYS HB3 3.400 . 7.000 6.164 6.085 6.230 . 0 0 "[ . 1 . 2 ]" 1
498 1 32 LEU H 1 34 ASN H 3.400 . 4.200 4.020 3.890 4.149 . 0 0 "[ . 1 . 2 ]" 1
499 1 32 LEU H 1 36 TRP HE3 3.400 . 6.000 5.059 5.009 5.161 . 0 0 "[ . 1 . 2 ]" 1
500 1 32 LEU H 1 36 TRP HZ3 3.400 . 6.300 6.323 6.164 6.499 0.199 6 0 "[ . 1 . 2 ]" 1
501 1 32 LEU H 1 38 CYS HB2 3.400 . 6.100 4.934 4.890 5.000 . 0 0 "[ . 1 . 2 ]" 1
502 1 32 LEU H 1 38 CYS HB3 3.400 . 6.100 6.179 6.122 6.269 0.169 3 0 "[ . 1 . 2 ]" 1
503 1 32 LEU HA 1 35 ASN H 2.900 2.600 3.480 3.486 3.401 3.565 0.085 18 0 "[ . 1 . 2 ]" 1
504 1 32 LEU HA 1 35 ASN HA 3.400 . 6.000 3.571 3.276 4.076 . 0 0 "[ . 1 . 2 ]" 1
505 1 32 LEU HA 1 35 ASN HB2 3.400 . 6.100 5.433 5.155 6.301 0.201 14 0 "[ . 1 . 2 ]" 1
506 1 32 LEU HA 1 35 ASN HB3 3.400 . 6.100 6.128 5.270 6.397 0.297 2 0 "[ . 1 . 2 ]" 1
507 1 32 LEU HB2 1 33 LYS H 3.400 . 4.000 3.874 3.630 4.051 0.051 3 0 "[ . 1 . 2 ]" 1
508 1 32 LEU HB2 1 35 ASN H 3.400 . 6.000 5.849 5.762 5.963 . 0 0 "[ . 1 . 2 ]" 1
509 1 32 LEU HB3 1 33 LYS H 3.400 . 4.000 2.805 2.690 2.880 . 0 0 "[ . 1 . 2 ]" 1
510 1 32 LEU HB3 1 35 ASN H 3.400 . 6.000 5.567 5.453 5.659 . 0 0 "[ . 1 . 2 ]" 1
511 1 32 LEU HG 1 33 LYS H 3.400 . 5.200 5.083 4.635 5.269 0.069 20 0 "[ . 1 . 2 ]" 1
512 1 32 LEU O 1 35 ASN N 2.800 2.700 3.500 3.534 3.513 3.553 0.053 18 0 "[ . 1 . 2 ]" 1
513 1 33 LYS CG 1 33 LYS H 4.500 3.200 4.900 3.214 3.186 3.314 0.014 4 0 "[ . 1 . 2 ]" 1
514 1 33 LYS H 1 33 LYS HA 2.830 2.550 3.400 2.998 2.986 3.015 . 0 0 "[ . 1 . 2 ]" 1
515 1 33 LYS H 1 33 LYS HB2 4.500 2.450 3.100 2.445 2.438 2.454 0.012 7 0 "[ . 1 . 2 ]" 1
516 1 33 LYS H 1 34 ASN H 2.450 2.210 3.130 2.374 2.368 2.392 . 0 0 "[ . 1 . 2 ]" 1
517 1 33 LYS H 1 34 ASN HA 3.400 . 6.000 5.219 5.203 5.233 . 0 0 "[ . 1 . 2 ]" 1
518 1 33 LYS H 1 34 ASN HB2 3.400 . 5.200 4.447 4.293 4.558 . 0 0 "[ . 1 . 2 ]" 1
519 1 33 LYS H 1 34 ASN HB3 3.400 . 6.100 5.928 5.846 6.007 . 0 0 "[ . 1 . 2 ]" 1
520 1 33 LYS H 1 34 ASN HD21 3.400 . 7.500 4.932 3.955 6.833 . 0 0 "[ . 1 . 2 ]" 1
521 1 33 LYS H 1 34 ASN HD22 3.400 . 7.500 6.171 5.732 6.521 . 0 0 "[ . 1 . 2 ]" 1
522 1 33 LYS H 1 35 ASN H 4.500 3.700 4.700 3.921 3.774 4.121 . 0 0 "[ . 1 . 2 ]" 1
523 1 33 LYS H 1 36 TRP HE3 3.400 . 5.300 5.420 5.334 5.493 0.193 17 0 "[ . 1 . 2 ]" 1
524 1 33 LYS HA 1 34 ASN H 2.520 2.270 3.340 3.430 3.406 3.445 0.105 13 0 "[ . 1 . 2 ]" 1
525 1 33 LYS HA 1 35 ASN H 3.400 . 5.000 4.017 3.799 4.252 . 0 0 "[ . 1 . 2 ]" 1
526 1 33 LYS HB2 1 34 ASN H 2.490 2.250 2.980 2.956 2.870 3.013 0.033 17 0 "[ . 1 . 2 ]" 1
527 1 33 LYS HB2 1 34 ASN HD21 3.400 . 8.000 3.527 2.477 5.456 . 0 0 "[ . 1 . 2 ]" 1
528 1 33 LYS HB2 1 34 ASN HD22 3.400 . 8.000 4.343 3.841 4.813 . 0 0 "[ . 1 . 2 ]" 1
529 1 33 LYS HB2 1 35 ASN H 3.400 . 6.000 5.035 4.883 5.215 . 0 0 "[ . 1 . 2 ]" 1
530 1 33 LYS HB3 1 34 ASN HD21 3.400 . 8.000 4.048 2.553 5.693 . 0 0 "[ . 1 . 2 ]" 1
531 1 33 LYS HB3 1 34 ASN HD22 3.400 . 8.000 4.384 3.558 4.951 . 0 0 "[ . 1 . 2 ]" 1
532 1 33 LYS HB3 1 35 ASN H 3.400 . 6.000 5.358 5.208 5.514 . 0 0 "[ . 1 . 2 ]" 1
533 1 33 LYS QG 1 34 ASN H 3.400 . 5.000 4.288 4.233 4.401 . 0 0 "[ . 1 . 2 ]" 1
534 1 33 LYS QG 1 34 ASN HD21 3.400 . 7.500 5.304 4.480 6.981 . 0 0 "[ . 1 . 2 ]" 1
535 1 33 LYS QG 1 34 ASN HD22 3.400 . 7.500 5.879 5.494 6.450 . 0 0 "[ . 1 . 2 ]" 1
536 1 33 LYS QG 1 35 ASN H 3.400 . 6.400 5.634 5.438 5.858 . 0 0 "[ . 1 . 2 ]" 1
537 1 34 ASN H 1 34 ASN HA 2.740 2.470 3.280 3.063 3.057 3.068 . 0 0 "[ . 1 . 2 ]" 1
538 1 34 ASN H 1 34 ASN HB2 2.430 2.190 2.910 2.447 2.382 2.555 . 0 0 "[ . 1 . 2 ]" 1
539 1 34 ASN H 1 34 ASN HB3 2.740 2.470 3.800 3.667 3.607 3.754 . 0 0 "[ . 1 . 2 ]" 1
540 1 34 ASN H 1 35 ASN H 2.460 2.220 2.940 2.344 2.218 2.538 0.002 2 0 "[ . 1 . 2 ]" 1
541 1 34 ASN H 1 35 ASN HA 3.400 . 4.900 4.372 4.245 4.589 . 0 0 "[ . 1 . 2 ]" 1
542 1 34 ASN H 1 36 TRP HZ2 3.400 . 7.000 6.277 6.013 6.549 . 0 0 "[ . 1 . 2 ]" 1
543 1 34 ASN HA 1 35 ASN H 3.250 2.930 3.890 3.137 2.971 3.294 . 0 0 "[ . 1 . 2 ]" 1
544 1 34 ASN HA 1 35 ASN HB2 3.400 . 7.000 4.945 4.038 5.556 . 0 0 "[ . 1 . 2 ]" 1
545 1 34 ASN HA 1 35 ASN HB3 3.400 . 7.000 4.306 3.881 5.680 . 0 0 "[ . 1 . 2 ]" 1
546 1 34 ASN HA 1 36 TRP HE1 3.400 . 5.200 5.164 5.084 5.213 0.013 12 0 "[ . 1 . 2 ]" 1
547 1 34 ASN HB2 1 34 ASN HD21 2.750 . 3.500 2.425 2.137 3.576 0.076 17 0 "[ . 1 . 2 ]" 1
548 1 34 ASN HB2 1 34 ASN HD22 4.410 3.500 5.400 3.593 3.497 4.069 0.003 22 0 "[ . 1 . 2 ]" 1
549 1 34 ASN HB2 1 35 ASN H 3.810 3.430 4.530 3.873 3.642 4.101 . 0 0 "[ . 1 . 2 ]" 1
550 1 34 ASN HB2 1 35 ASN HA 3.400 . 7.000 5.412 4.988 5.775 . 0 0 "[ . 1 . 2 ]" 1
551 1 34 ASN HB2 1 35 ASN HB2 3.400 . 8.000 6.431 5.836 7.175 . 0 0 "[ . 1 . 2 ]" 1
552 1 34 ASN HB2 1 36 TRP H 3.400 . 5.200 4.710 3.530 4.999 . 0 0 "[ . 1 . 2 ]" 1
553 1 34 ASN HB2 1 36 TRP HA 3.400 . 7.000 5.449 4.821 5.729 . 0 0 "[ . 1 . 2 ]" 1
554 1 34 ASN HB2 1 36 TRP HB2 3.400 . 7.000 3.969 3.351 4.263 . 0 0 "[ . 1 . 2 ]" 1
555 1 34 ASN HB2 1 36 TRP HB3 3.400 . 7.000 5.058 4.479 5.311 . 0 0 "[ . 1 . 2 ]" 1
556 1 34 ASN HB2 1 36 TRP HD1 3.400 . 7.000 4.506 4.004 4.730 . 0 0 "[ . 1 . 2 ]" 1
557 1 34 ASN HB2 1 36 TRP HE1 3.250 2.930 4.190 4.128 4.029 4.242 0.052 18 0 "[ . 1 . 2 ]" 1
558 1 34 ASN HB2 1 36 TRP HE3 3.400 . 5.000 3.453 3.131 3.636 . 0 0 "[ . 1 . 2 ]" 1
559 1 34 ASN HB2 1 36 TRP HZ2 3.400 . 5.000 3.876 3.626 4.200 . 0 0 "[ . 1 . 2 ]" 1
560 1 34 ASN HB2 1 36 TRP HZ3 3.400 . 5.000 3.864 3.615 4.174 . 0 0 "[ . 1 . 2 ]" 1
561 1 34 ASN HB3 1 34 ASN HD21 2.750 . 3.500 3.226 2.212 3.542 0.042 18 0 "[ . 1 . 2 ]" 1
562 1 34 ASN HB3 1 34 ASN HD22 2.950 2.500 4.000 3.929 3.570 4.067 0.067 18 0 "[ . 1 . 2 ]" 1
563 1 34 ASN HB3 1 35 ASN H 4.750 4.080 5.700 4.283 4.132 4.459 . 0 0 "[ . 1 . 2 ]" 1
564 1 34 ASN HB3 1 35 ASN HA 3.400 . 7.000 5.582 5.468 5.777 . 0 0 "[ . 1 . 2 ]" 1
565 1 34 ASN HB3 1 35 ASN HB2 3.400 . 8.000 6.080 5.211 6.728 . 0 0 "[ . 1 . 2 ]" 1
566 1 34 ASN HB3 1 35 ASN HB3 3.400 . 8.000 5.133 4.785 6.789 . 0 0 "[ . 1 . 2 ]" 1
567 1 34 ASN HB3 1 36 TRP H 3.400 . 5.200 5.160 3.928 5.357 0.157 14 0 "[ . 1 . 2 ]" 1
568 1 34 ASN HB3 1 36 TRP HA 3.400 . 7.000 5.160 4.939 5.359 . 0 0 "[ . 1 . 2 ]" 1
569 1 34 ASN HB3 1 36 TRP HB2 3.400 . 7.000 4.702 4.533 4.812 . 0 0 "[ . 1 . 2 ]" 1
570 1 34 ASN HB3 1 36 TRP HB3 3.400 . 7.000 5.415 5.181 5.552 . 0 0 "[ . 1 . 2 ]" 1
571 1 34 ASN HB3 1 36 TRP HD1 3.400 . 7.000 3.681 3.404 3.926 . 0 0 "[ . 1 . 2 ]" 1
572 1 34 ASN HB3 1 36 TRP HE1 2.720 2.450 3.240 2.756 2.599 2.914 . 0 0 "[ . 1 . 2 ]" 1
573 1 34 ASN HB3 1 36 TRP HE3 3.400 . 5.000 4.578 4.442 4.686 . 0 0 "[ . 1 . 2 ]" 1
574 1 34 ASN HB3 1 36 TRP HZ2 3.400 . 5.000 3.223 3.088 3.432 . 0 0 "[ . 1 . 2 ]" 1
575 1 34 ASN HB3 1 36 TRP HZ3 3.400 . 5.000 4.982 4.807 5.087 0.087 22 0 "[ . 1 . 2 ]" 1
576 1 34 ASN HD21 1 36 TRP HH2 3.400 . 7.000 3.414 2.575 5.315 . 0 0 "[ . 1 . 2 ]" 1
577 1 34 ASN HD21 1 36 TRP HZ2 3.400 . 7.000 3.958 2.229 5.560 . 0 0 "[ . 1 . 2 ]" 1
578 1 34 ASN HD21 1 36 TRP HZ3 3.400 . 7.000 3.789 3.043 5.949 . 0 0 "[ . 1 . 2 ]" 1
579 1 34 ASN HD22 1 36 TRP HH2 3.400 . 7.000 3.396 2.943 4.458 . 0 0 "[ . 1 . 2 ]" 1
580 1 34 ASN HD22 1 36 TRP HZ2 3.400 . 7.000 3.959 3.655 4.958 . 0 0 "[ . 1 . 2 ]" 1
581 1 34 ASN HD22 1 36 TRP HZ3 3.400 . 7.000 4.577 4.210 5.276 . 0 0 "[ . 1 . 2 ]" 1
582 1 35 ASN H 1 35 ASN HA 2.370 2.140 2.830 2.397 2.381 2.421 . 0 0 "[ . 1 . 2 ]" 1
583 1 35 ASN H 1 35 ASN HB2 2.750 2.480 3.400 3.248 2.871 3.994 0.594 14 2 "[ . 1 +. 2- ]" 1
584 1 35 ASN H 1 35 ASN HB3 3.080 2.780 3.780 3.381 2.829 3.977 0.197 15 0 "[ . 1 . 2 ]" 1
585 1 35 ASN H 1 36 TRP H 2.490 2.250 3.970 3.384 2.663 3.572 . 0 0 "[ . 1 . 2 ]" 1
586 1 35 ASN HA 1 36 TRP H 2.450 2.210 2.930 2.232 2.202 2.614 0.008 15 0 "[ . 1 . 2 ]" 1
587 1 35 ASN HA 1 36 TRP HA 3.400 . 5.000 4.447 4.413 4.494 . 0 0 "[ . 1 . 2 ]" 1
588 1 35 ASN HA 1 36 TRP HB2 3.400 . 7.000 4.635 4.543 5.017 . 0 0 "[ . 1 . 2 ]" 1
589 1 35 ASN HA 1 36 TRP HB3 3.400 . 7.000 5.837 5.796 6.042 . 0 0 "[ . 1 . 2 ]" 1
590 1 35 ASN HA 1 36 TRP HD1 4.500 3.200 5.250 5.182 5.102 5.263 0.013 2 0 "[ . 1 . 2 ]" 1
591 1 35 ASN HB2 1 35 ASN HD21 3.400 3.000 3.700 3.200 2.921 3.603 0.079 19 0 "[ . 1 . 2 ]" 1
592 1 35 ASN HB2 1 35 ASN HD22 3.400 3.000 3.900 3.924 3.760 4.036 0.136 18 0 "[ . 1 . 2 ]" 1
593 1 35 ASN HB2 1 36 TRP H 4.970 4.060 6.870 4.525 4.228 4.709 . 0 0 "[ . 1 . 2 ]" 1
594 1 35 ASN HB2 1 36 TRP HD1 3.400 . 6.000 5.991 4.789 6.243 0.243 2 0 "[ . 1 . 2 ]" 1
595 1 35 ASN HB3 1 35 ASN HD21 3.400 3.000 3.700 3.362 2.922 3.555 0.078 12 0 "[ . 1 . 2 ]" 1
596 1 35 ASN HB3 1 35 ASN HD22 3.400 3.000 3.900 3.948 3.819 4.027 0.127 2 0 "[ . 1 . 2 ]" 1
597 1 35 ASN HB3 1 36 TRP H 4.970 4.060 6.870 4.540 4.267 4.636 . 0 0 "[ . 1 . 2 ]" 1
598 1 35 ASN HB3 1 36 TRP HD1 3.400 . 6.000 5.015 4.628 6.136 0.136 14 0 "[ . 1 . 2 ]" 1
599 1 36 TRP H 1 36 TRP HA 2.770 2.500 3.310 3.059 3.041 3.065 . 0 0 "[ . 1 . 2 ]" 1
600 1 36 TRP H 1 36 TRP HB2 2.370 2.140 2.830 2.552 2.462 2.658 . 0 0 "[ . 1 . 2 ]" 1
601 1 36 TRP H 1 36 TRP HB3 2.780 2.500 3.730 3.749 3.691 3.809 0.079 4 0 "[ . 1 . 2 ]" 1
602 1 36 TRP H 1 37 GLU H 3.400 . 5.000 4.482 4.465 4.560 . 0 0 "[ . 1 . 2 ]" 1
603 1 36 TRP HA 1 36 TRP HE1 3.400 . 5.500 4.716 4.649 4.852 . 0 0 "[ . 1 . 2 ]" 1
604 1 36 TRP HA 1 36 TRP HE3 3.400 . 7.000 5.225 5.190 5.280 . 0 0 "[ . 1 . 2 ]" 1
605 1 36 TRP HA 1 37 GLU H 2.390 2.170 2.850 2.476 2.442 2.515 . 0 0 "[ . 1 . 2 ]" 1
606 1 36 TRP HA 1 37 GLU HA 3.400 . 5.000 4.378 4.305 4.457 . 0 0 "[ . 1 . 2 ]" 1
607 1 36 TRP HA 1 37 GLU HB2 3.400 . 5.000 4.153 3.937 4.647 . 0 0 "[ . 1 . 2 ]" 1
608 1 36 TRP HA 1 37 GLU HB3 3.400 . 5.000 4.788 4.377 5.029 0.029 12 0 "[ . 1 . 2 ]" 1
609 1 36 TRP HA 1 37 GLU QG 3.400 . 6.500 5.801 5.400 5.920 . 0 0 "[ . 1 . 2 ]" 1
610 1 36 TRP HA 1 38 CYS H 4.500 4.000 6.800 4.731 4.580 5.120 . 0 0 "[ . 1 . 2 ]" 1
611 1 36 TRP HB2 1 36 TRP HD1 4.500 2.900 3.800 3.832 3.812 3.863 0.063 2 0 "[ . 1 . 2 ]" 1
612 1 36 TRP HB2 1 36 TRP HE3 4.500 2.300 2.950 2.590 2.542 2.632 . 0 0 "[ . 1 . 2 ]" 1
613 1 36 TRP HB2 1 37 GLU H 3.120 2.820 3.740 3.549 3.389 3.578 . 0 0 "[ . 1 . 2 ]" 1
614 1 36 TRP HB3 1 36 TRP HE3 4.500 2.900 4.350 3.175 3.116 3.344 . 0 0 "[ . 1 . 2 ]" 1
615 1 36 TRP HB3 1 37 GLU H 2.450 2.200 2.930 2.193 2.191 2.196 0.009 17 0 "[ . 1 . 2 ]" 1
616 1 36 TRP HD1 1 37 GLU H 3.470 3.100 4.200 3.998 3.906 4.216 0.016 2 0 "[ . 1 . 2 ]" 1
617 1 36 TRP HD1 1 37 GLU HA 3.400 . 6.500 6.417 6.318 6.536 0.036 2 0 "[ . 1 . 2 ]" 1
618 1 36 TRP HE1 1 37 GLU H 3.400 . 6.500 6.249 6.140 6.545 0.045 2 0 "[ . 1 . 2 ]" 1
619 1 36 TRP HE3 1 37 GLU H 3.400 . 5.400 5.358 5.296 5.470 0.070 2 0 "[ . 1 . 2 ]" 1
620 1 37 GLU H 1 37 GLU HA 2.710 2.440 3.250 3.068 3.062 3.074 . 0 0 "[ . 1 . 2 ]" 1
621 1 37 GLU H 1 37 GLU HB2 4.500 2.200 3.450 2.793 2.579 3.267 . 0 0 "[ . 1 . 2 ]" 1
622 1 37 GLU H 1 37 GLU HB3 4.500 2.400 3.750 2.653 2.394 2.856 0.006 24 0 "[ . 1 . 2 ]" 1
623 1 37 GLU H 1 38 CYS H 3.400 . 4.000 3.407 3.244 3.811 . 0 0 "[ . 1 . 2 ]" 1
624 1 37 GLU HB2 1 38 CYS H 4.500 2.700 4.510 4.603 4.566 4.624 0.114 3 0 "[ . 1 . 2 ]" 1
625 1 37 GLU HB3 1 38 CYS H 3.670 3.300 5.400 4.417 4.333 4.589 . 0 0 "[ . 1 . 2 ]" 1
626 1 37 GLU QG 1 38 CYS H 4.710 4.240 6.650 4.434 4.025 4.969 0.215 3 0 "[ . 1 . 2 ]" 1
627 1 38 CYS H 1 38 CYS HB2 2.560 2.300 3.100 2.363 2.310 2.409 . 0 0 "[ . 1 . 2 ]" 1
628 1 38 CYS HA 1 39 ARG H 2.160 . 2.580 2.083 2.018 2.148 . 0 0 "[ . 1 . 2 ]" 1
629 1 38 CYS HA 1 39 ARG QB 3.400 . 7.000 4.140 3.996 4.295 . 0 0 "[ . 1 . 2 ]" 1
630 1 38 CYS HB2 1 39 ARG H 3.400 . 6.000 4.542 4.452 4.611 . 0 0 "[ . 1 . 2 ]" 1
631 1 38 CYS HB3 1 39 ARG H 3.400 . 6.000 4.465 4.392 4.497 . 0 0 "[ . 1 . 2 ]" 1
632 1 39 ARG H 1 39 ARG HA 3.430 2.700 4.110 3.038 3.024 3.060 . 0 0 "[ . 1 . 2 ]" 1
633 1 39 ARG H 1 39 ARG QB 2.620 2.360 4.140 2.320 2.225 2.495 0.135 20 0 "[ . 1 . 2 ]" 1
634 1 39 ARG H 1 39 ARG QG 2.970 2.670 4.550 3.946 3.413 4.229 . 0 0 "[ . 1 . 2 ]" 1
635 1 39 ARG H 1 40 TYR H 4.500 3.500 4.900 4.262 3.552 4.646 . 0 0 "[ . 1 . 2 ]" 1
636 1 39 ARG QB 1 40 TYR H 2.760 2.500 4.300 3.702 2.672 4.061 . 0 0 "[ . 1 . 2 ]" 1
637 1 39 ARG QG 1 40 TYR H 2.940 2.650 4.520 3.454 1.845 4.146 0.805 20 2 "[ . 1 - . + ]" 1
638 1 40 TYR CG 1 40 TYR H 2.540 2.300 5.050 3.467 2.703 4.314 . 0 0 "[ . 1 . 2 ]" 1
639 1 40 TYR CZ 1 41 SER H 3.400 . 7.500 7.089 5.807 7.637 0.137 12 0 "[ . 1 . 2 ]" 1
640 1 40 TYR H 1 40 TYR QB 2.460 2.220 4.940 2.709 2.327 3.255 . 0 0 "[ . 1 . 2 ]" 1
641 1 40 TYR H 1 41 SER H 3.400 . 5.000 3.092 1.891 4.616 . 0 0 "[ . 1 . 2 ]" 1
642 1 40 TYR QB 1 41 SER H 4.500 3.200 5.800 3.262 2.499 4.000 0.701 15 4 "[ . 1 +*- *2 ]" 1
643 1 41 SER H 1 41 SER QB 4.500 2.500 4.200 3.005 2.243 3.580 0.257 20 0 "[ . 1 . 2 ]" 1
644 1 41 SER HA 1 42 PRO QD 3.400 . 4.000 2.355 1.681 3.508 0.119 5 0 "[ . 1 . 2 ]" 1
645 1 41 SER HA 1 42 PRO QG 3.400 . 7.000 4.144 3.561 5.283 . 0 0 "[ . 1 . 2 ]" 1
646 1 42 PRO HA 1 43 LYS H 3.560 3.200 4.260 3.478 3.184 3.540 0.016 20 0 "[ . 1 . 2 ]" 1
647 1 42 PRO QB 1 43 LYS H 3.400 . 5.000 2.159 1.412 3.446 0.388 10 0 "[ . 1 . 2 ]" 1
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