NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535364 |
2lo7   |
17987 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lo7
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 384
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLY H 1 23 LEU HG 5.500 . 6.000 4.845 3.960 5.574 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLY HA2 1 26 CYS H 5.500 . 6.000 4.829 2.876 5.594 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLY HA3 1 23 LEU MD2 5.810 . 6.310 4.569 3.816 4.949 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLY HA3 1 23 LEU HG 4.470 . 4.970 3.130 2.414 3.567 . 0 0 "[ . 1 . 2]" 1
5 1 4 CYS H 1 4 CYS HB2 3.410 . 3.910 2.610 2.059 3.195 . 0 0 "[ . 1 . 2]" 1
6 1 4 CYS H 1 4 CYS HB3 3.700 . 4.200 3.148 2.552 3.733 . 0 0 "[ . 1 . 2]" 1
7 1 4 CYS H 1 5 MET H 3.100 . 3.600 2.869 2.466 3.222 . 0 0 "[ . 1 . 2]" 1
8 1 4 CYS H 1 23 LEU MD1 6.610 . 7.110 3.318 2.852 3.985 . 0 0 "[ . 1 . 2]" 1
9 1 4 CYS H 1 23 LEU HG 5.500 . 6.000 4.103 3.022 5.107 . 0 0 "[ . 1 . 2]" 1
10 1 4 CYS H 1 26 CYS H 5.500 . 6.000 4.594 3.489 5.546 . 0 0 "[ . 1 . 2]" 1
11 1 4 CYS H 1 26 CYS QB 5.990 . 6.490 5.067 4.194 5.405 . 0 0 "[ . 1 . 2]" 1
12 1 4 CYS HB2 1 5 MET H 3.510 . 4.010 3.119 2.581 3.533 . 0 0 "[ . 1 . 2]" 1
13 1 4 CYS HB2 1 26 CYS H 4.320 . 4.820 3.490 2.863 3.946 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS HB2 1 26 CYS QB 3.940 . 4.440 3.008 2.277 3.614 . 0 0 "[ . 1 . 2]" 1
15 1 4 CYS HB2 1 27 LYS H 5.500 . 6.000 5.348 4.800 5.601 . 0 0 "[ . 1 . 2]" 1
16 1 4 CYS HB3 1 5 MET H 3.400 . 3.900 2.149 1.890 2.566 . 0 0 "[ . 1 . 2]" 1
17 1 4 CYS HB3 1 8 TYR QD 4.300 . 4.800 3.289 2.662 3.869 . 0 0 "[ . 1 . 2]" 1
18 1 4 CYS HB3 1 8 TYR HD2 6.030 . 6.530 3.342 2.663 4.070 . 0 0 "[ . 1 . 2]" 1
19 1 4 CYS HB3 1 26 CYS H 5.500 . 6.000 4.999 4.057 5.636 . 0 0 "[ . 1 . 2]" 1
20 1 5 MET H 1 5 MET HB2 3.240 . 3.740 2.975 2.754 3.247 . 0 0 "[ . 1 . 2]" 1
21 1 5 MET H 1 5 MET HB3 4.010 . 4.510 3.919 3.825 4.015 . 0 0 "[ . 1 . 2]" 1
22 1 5 MET H 1 5 MET HG2 4.400 . 4.900 4.319 3.199 4.517 . 0 0 "[ . 1 . 2]" 1
23 1 5 MET H 1 5 MET HG3 4.400 . 4.900 3.724 3.401 4.440 . 0 0 "[ . 1 . 2]" 1
24 1 5 MET H 1 6 LYS H 4.570 . 5.070 4.170 3.956 4.306 . 0 0 "[ . 1 . 2]" 1
25 1 5 MET H 1 7 GLU H 5.500 . 6.000 5.488 5.054 5.574 . 0 0 "[ . 1 . 2]" 1
26 1 5 MET H 1 8 TYR H 5.400 . 5.900 4.575 4.201 5.147 . 0 0 "[ . 1 . 2]" 1
27 1 5 MET H 1 8 TYR HB2 5.160 . 5.660 4.681 4.156 5.259 . 0 0 "[ . 1 . 2]" 1
28 1 5 MET H 1 8 TYR QD 5.420 . 5.920 3.579 3.131 4.055 . 0 0 "[ . 1 . 2]" 1
29 1 5 MET H 1 23 LEU HA 5.500 . 6.000 5.002 4.394 5.433 . 0 0 "[ . 1 . 2]" 1
30 1 5 MET H 1 23 LEU MD1 6.610 . 7.110 3.939 3.347 4.729 . 0 0 "[ . 1 . 2]" 1
31 1 5 MET HA 1 6 LYS H 2.970 . 3.470 2.233 2.121 2.354 . 0 0 "[ . 1 . 2]" 1
32 1 5 MET HA 1 7 GLU H 4.500 . 5.000 4.266 4.049 4.506 . 0 0 "[ . 1 . 2]" 1
33 1 5 MET HA 1 23 LEU MD1 5.960 . 6.460 4.625 3.817 5.040 . 0 0 "[ . 1 . 2]" 1
34 1 5 MET HB2 1 6 LYS H 4.610 . 5.110 4.148 3.872 4.418 . 0 0 "[ . 1 . 2]" 1
35 1 5 MET HB2 1 9 CYS H 4.910 . 5.410 4.118 3.882 4.544 . 0 0 "[ . 1 . 2]" 1
36 1 5 MET HB3 1 6 LYS H 3.600 . 4.100 3.085 2.787 3.618 . 0 0 "[ . 1 . 2]" 1
37 1 5 MET HB3 1 7 GLU H 3.810 . 4.310 3.101 2.642 3.618 . 0 0 "[ . 1 . 2]" 1
38 1 5 MET QG 1 6 LYS H 5.300 . 5.800 4.000 3.171 4.618 . 0 0 "[ . 1 . 2]" 1
39 1 5 MET HG2 1 6 LYS H 5.500 . 6.000 4.201 3.228 5.112 . 0 0 "[ . 1 . 2]" 1
40 1 5 MET HG3 1 6 LYS H 5.500 . 6.000 5.076 4.649 5.264 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS H 1 6 LYS HB2 3.710 . 4.210 2.465 2.108 3.635 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS H 1 6 LYS QB 3.540 . 4.040 2.304 2.046 2.529 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 6 LYS HB3 3.710 . 4.210 3.064 2.428 3.642 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS H 1 6 LYS QD 5.670 . 6.170 4.366 3.830 4.844 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 6 LYS QG 4.610 . 5.110 3.100 2.095 4.010 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS H 1 8 TYR H 5.500 . 6.000 4.356 4.202 4.532 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS H 1 9 CYS H 5.480 . 5.980 4.916 4.702 5.257 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS H 1 23 LEU MD1 5.180 . 5.680 4.006 3.264 4.323 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS H 1 23 LEU MD2 6.610 . 7.110 5.295 4.510 5.560 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS HA 1 6 LYS QE 5.470 . 5.970 4.483 3.748 4.888 . 0 0 "[ . 1 . 2]" 1
51 1 6 LYS HA 1 8 TYR HB3 5.500 . 6.000 5.296 5.018 5.523 . 0 0 "[ . 1 . 2]" 1
52 1 6 LYS HA 1 9 CYS H 4.480 . 4.980 3.672 3.210 3.942 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS HA 1 9 CYS QB 5.610 . 6.110 2.809 2.101 3.775 . 0 0 "[ . 1 . 2]" 1
54 1 6 LYS HA 1 10 ALA H 4.890 . 5.390 4.064 3.697 4.786 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS HA 1 10 ALA MB 6.610 . 7.110 4.507 4.083 5.190 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS HA 1 23 LEU MD1 4.020 . 4.520 2.392 2.159 3.085 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS HB2 1 7 GLU H 4.070 . 4.570 3.290 2.401 4.070 . 0 0 "[ . 1 . 2]" 1
58 1 6 LYS HB3 1 7 GLU H 4.070 . 4.570 3.157 2.519 4.130 . 0 0 "[ . 1 . 2]" 1
59 1 6 LYS QG 1 7 GLU H 5.370 . 5.870 3.929 2.562 4.477 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLU H 1 7 GLU QB 3.520 . 4.020 2.411 2.175 2.690 . 0 0 "[ . 1 . 2]" 1
61 1 7 GLU H 1 7 GLU QG 4.360 . 4.860 3.074 2.270 3.635 . 0 0 "[ . 1 . 2]" 1
62 1 7 GLU H 1 8 TYR H 3.760 . 4.260 2.750 2.482 2.967 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLU H 1 8 TYR HB3 5.500 . 6.000 4.785 4.504 5.174 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU H 1 9 CYS H 5.260 . 5.760 4.313 4.122 4.549 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLU HA 1 8 TYR HA 5.010 . 5.510 4.870 4.766 4.940 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLU HA 1 10 ALA H 3.660 . 4.160 3.572 3.295 3.772 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLU QB 1 8 TYR H 3.880 . 4.380 2.565 2.187 2.882 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLU QB 1 8 TYR QD 6.730 . 7.230 5.380 5.260 5.490 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU QG 1 8 TYR H 5.100 . 5.600 4.427 4.074 4.583 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR H 1 8 TYR HB2 3.490 . 3.990 2.518 2.385 2.847 . 0 0 "[ . 1 . 2]" 1
71 1 8 TYR H 1 8 TYR HB3 3.080 . 3.580 2.409 2.307 2.609 . 0 0 "[ . 1 . 2]" 1
72 1 8 TYR H 1 9 CYS H 3.370 . 3.870 2.747 2.526 2.997 . 0 0 "[ . 1 . 2]" 1
73 1 8 TYR H 1 9 CYS QB 5.990 . 6.490 4.580 4.294 4.802 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR H 1 10 ALA H 5.450 . 5.950 4.209 3.937 4.441 . 0 0 "[ . 1 . 2]" 1
75 1 8 TYR HA 1 8 TYR QD 3.720 . 4.220 2.654 2.203 3.029 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR HB2 1 9 CYS H 3.800 . 4.300 3.821 3.759 3.858 . 0 0 "[ . 1 . 2]" 1
77 1 8 TYR HB3 1 9 CYS H 3.280 . 3.780 2.443 2.307 2.559 . 0 0 "[ . 1 . 2]" 1
78 1 8 TYR QD 1 9 CYS H 4.650 . 5.150 3.358 2.951 3.955 . 0 0 "[ . 1 . 2]" 1
79 1 8 TYR QD 1 9 CYS HA 5.300 . 5.800 3.720 3.076 4.596 . 0 0 "[ . 1 . 2]" 1
80 1 8 TYR QD 1 9 CYS QB 6.530 . 7.030 4.364 3.446 5.205 . 0 0 "[ . 1 . 2]" 1
81 1 8 TYR QD 1 12 GLN QB 6.630 . 7.130 4.664 4.105 5.275 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR QD 1 12 GLN QG 5.770 . 6.270 3.505 3.014 4.033 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR QD 1 26 CYS HA 5.720 . 6.220 4.511 3.985 5.085 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR HD2 1 9 CYS HA 6.170 . 6.670 3.824 3.079 4.770 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR HD2 1 12 GLN QB 6.730 . 7.230 4.610 4.088 5.379 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR HD2 1 12 GLN HG2 5.350 . 5.850 4.024 3.355 5.372 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR HD2 1 12 GLN HG3 5.350 . 5.850 3.693 2.872 5.025 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR HD2 1 26 CYS HA 6.040 . 6.540 4.497 3.727 5.086 . 0 0 "[ . 1 . 2]" 1
89 1 8 TYR HD2 1 26 CYS QB 6.730 . 7.230 5.179 4.031 5.947 . 0 0 "[ . 1 . 2]" 1
90 1 9 CYS H 1 9 CYS HB2 3.650 . 4.150 2.332 2.124 2.718 . 0 0 "[ . 1 . 2]" 1
91 1 9 CYS H 1 9 CYS QB 3.480 . 3.980 2.281 2.104 2.439 . 0 0 "[ . 1 . 2]" 1
92 1 9 CYS H 1 9 CYS HB3 3.650 . 4.150 3.479 2.388 3.582 . 0 0 "[ . 1 . 2]" 1
93 1 9 CYS H 1 10 ALA H 3.530 . 4.030 2.852 2.626 2.959 . 0 0 "[ . 1 . 2]" 1
94 1 9 CYS H 1 10 ALA MB 6.470 . 6.970 4.484 4.258 4.655 . 0 0 "[ . 1 . 2]" 1
95 1 9 CYS H 1 11 GLY H 5.500 . 6.000 4.181 3.833 4.414 . 0 0 "[ . 1 . 2]" 1
96 1 9 CYS H 1 12 GLN H 5.500 . 6.000 4.945 4.744 5.317 . 0 0 "[ . 1 . 2]" 1
97 1 9 CYS H 1 23 LEU MD1 6.350 . 6.850 4.276 3.764 5.125 . 0 0 "[ . 1 . 2]" 1
98 1 9 CYS HA 1 12 GLN H 3.750 . 4.250 3.426 2.994 3.778 . 0 0 "[ . 1 . 2]" 1
99 1 9 CYS QB 1 10 ALA H 3.820 . 4.320 2.809 2.468 3.261 . 0 0 "[ . 1 . 2]" 1
100 1 9 CYS QB 1 22 CYS QB 3.550 . 4.050 2.358 2.151 2.839 . 0 0 "[ . 1 . 2]" 1
101 1 9 CYS QB 1 23 LEU MD1 5.180 . 5.680 2.609 2.134 3.676 . 0 0 "[ . 1 . 2]" 1
102 1 9 CYS HB2 1 10 ALA H 4.230 . 4.730 3.004 2.654 3.918 . 0 0 "[ . 1 . 2]" 1
103 1 9 CYS HB2 1 23 LEU MD1 5.280 . 5.780 2.827 2.324 3.935 . 0 0 "[ . 1 . 2]" 1
104 1 9 CYS HB3 1 10 ALA H 4.230 . 4.730 3.598 2.494 3.834 . 0 0 "[ . 1 . 2]" 1
105 1 9 CYS HB3 1 23 LEU MD1 5.280 . 5.780 3.098 2.485 4.421 . 0 0 "[ . 1 . 2]" 1
106 1 10 ALA H 1 11 GLY H 3.290 . 3.790 2.694 2.430 2.891 . 0 0 "[ . 1 . 2]" 1
107 1 10 ALA H 1 12 GLN H 4.970 . 5.470 4.290 4.000 4.571 . 0 0 "[ . 1 . 2]" 1
108 1 10 ALA HA 1 19 GLN HE21 3.940 . 4.440 2.395 2.138 2.723 . 0 0 "[ . 1 . 2]" 1
109 1 10 ALA HA 1 19 GLN HE22 4.610 . 5.110 3.253 2.922 3.603 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA HA 1 19 GLN QG 5.030 . 5.530 2.730 2.215 3.769 . 0 0 "[ . 1 . 2]" 1
111 1 10 ALA MB 1 11 GLY H 4.280 . 4.780 2.898 2.680 3.128 . 0 0 "[ . 1 . 2]" 1
112 1 10 ALA MB 1 11 GLY QA 7.200 . 7.700 3.829 3.695 3.967 . 0 0 "[ . 1 . 2]" 1
113 1 10 ALA MB 1 19 GLN HE21 5.520 . 6.020 3.521 2.915 3.996 . 0 0 "[ . 1 . 2]" 1
114 1 10 ALA MB 1 19 GLN HE22 5.800 . 6.300 3.355 2.849 4.185 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLY H 1 12 GLN H 3.170 . 3.670 2.595 2.258 2.862 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLY H 1 13 CYS H 4.550 . 5.050 4.138 3.682 4.609 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLN H 1 12 GLN QB 3.730 . 4.230 2.484 2.246 3.173 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLN H 1 12 GLN HG2 4.110 . 4.610 2.672 2.215 3.759 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLN H 1 12 GLN QG 3.850 . 4.350 2.503 2.197 3.010 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLN H 1 12 GLN HG3 4.110 . 4.610 3.574 2.435 4.161 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLN H 1 13 CYS H 3.170 . 3.670 2.472 2.075 2.825 . 0 0 "[ . 1 . 2]" 1
122 1 12 GLN HA 1 12 GLN QG 3.490 . 3.990 2.930 2.418 3.331 . 0 0 "[ . 1 . 2]" 1
123 1 12 GLN QB 1 13 CYS H 4.400 . 4.900 2.871 2.344 3.978 . 0 0 "[ . 1 . 2]" 1
124 1 12 GLN QG 1 13 CYS H 4.750 . 5.250 4.111 2.986 4.356 . 0 0 "[ . 1 . 2]" 1
125 1 13 CYS H 1 13 CYS HB2 3.500 . 4.000 2.757 2.536 2.991 . 0 0 "[ . 1 . 2]" 1
126 1 13 CYS H 1 13 CYS HB3 4.020 . 4.520 3.319 2.696 3.856 . 0 0 "[ . 1 . 2]" 1
127 1 13 CYS H 1 14 ARG H 4.970 . 5.470 4.488 4.376 4.645 . 0 0 "[ . 1 . 2]" 1
128 1 13 CYS H 1 14 ARG QG 5.920 . 6.420 4.515 3.785 5.280 . 0 0 "[ . 1 . 2]" 1
129 1 13 CYS H 1 19 GLN QG 5.990 . 6.490 3.969 3.618 4.509 . 0 0 "[ . 1 . 2]" 1
130 1 13 CYS HA 1 14 ARG H 2.980 . 3.480 2.298 2.178 2.439 . 0 0 "[ . 1 . 2]" 1
131 1 13 CYS HA 1 14 ARG QB 5.780 . 6.280 4.327 4.092 4.489 . 0 0 "[ . 1 . 2]" 1
132 1 13 CYS HB2 1 14 ARG H 4.400 . 4.900 4.058 3.427 4.388 . 0 0 "[ . 1 . 2]" 1
133 1 13 CYS HB3 1 14 ARG H 3.680 . 4.180 3.273 2.363 3.719 . 0 0 "[ . 1 . 2]" 1
134 1 13 CYS HB3 1 18 SER HB2 4.250 . 4.750 3.953 2.928 4.378 . 0 0 "[ . 1 . 2]" 1
135 1 13 CYS HB3 1 18 SER HB3 4.250 . 4.750 3.708 2.488 4.353 . 0 0 "[ . 1 . 2]" 1
136 1 13 CYS HB3 1 19 GLN H 5.200 . 5.700 4.285 3.547 5.244 . 0 0 "[ . 1 . 2]" 1
137 1 13 CYS HB3 1 19 GLN QG 5.510 . 6.010 3.258 2.610 4.496 . 0 0 "[ . 1 . 2]" 1
138 1 14 ARG H 1 14 ARG QB 3.590 . 4.090 2.823 2.512 3.302 . 0 0 "[ . 1 . 2]" 1
139 1 14 ARG H 1 14 ARG HG2 4.530 . 5.030 3.406 2.493 4.652 . 0 0 "[ . 1 . 2]" 1
140 1 14 ARG H 1 14 ARG QG 4.440 . 4.940 2.958 2.408 3.807 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG H 1 14 ARG HG3 4.530 . 5.030 3.626 2.941 4.437 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 15 GLY H 4.710 . 5.210 4.465 4.401 4.523 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 18 SER QB 4.700 . 5.200 3.040 2.242 3.938 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG HA 1 14 ARG HG2 4.250 . 4.750 3.215 2.364 3.818 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG HA 1 14 ARG HG3 4.250 . 4.750 3.525 2.373 3.929 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG HA 1 15 GLY H 2.780 . 3.280 2.274 2.070 2.659 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG HA 1 19 GLN H 4.390 . 4.890 4.268 3.994 4.574 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG HA 1 19 GLN HE21 4.200 . 4.700 2.297 2.146 2.600 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG HA 1 19 GLN HE22 4.880 . 5.380 3.105 2.550 3.635 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG QB 1 15 GLY H 4.020 . 4.520 2.380 1.891 2.868 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG QB 1 19 GLN H 6.170 . 6.670 5.657 5.320 5.745 . 0 0 "[ . 1 . 2]" 1
152 1 15 GLY H 1 16 LYS H 4.290 . 4.790 3.966 2.947 4.282 . 0 0 "[ . 1 . 2]" 1
153 1 15 GLY H 1 19 GLN HE21 4.370 . 4.870 4.013 3.383 4.735 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLY H 1 19 GLN HE22 4.710 . 5.210 3.882 3.284 4.405 . 0 0 "[ . 1 . 2]" 1
155 1 15 GLY H 1 19 GLN QG 5.760 . 6.260 3.906 3.489 4.951 . 0 0 "[ . 1 . 2]" 1
156 1 15 GLY QA 1 16 LYS H 3.180 . 3.680 2.223 2.112 2.872 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLY QA 1 17 VAL H 4.600 . 5.100 3.560 3.286 3.715 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLY QA 1 18 SER QB 5.340 . 5.840 3.485 2.898 3.920 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLY HA2 1 16 LYS H 3.300 . 3.800 2.295 2.143 3.176 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLY HA3 1 16 LYS H 3.300 . 3.800 3.042 2.837 3.277 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS H 1 16 LYS HB2 3.560 . 4.060 2.405 2.050 3.075 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS H 1 16 LYS QB 3.380 . 3.880 2.245 2.028 2.932 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS H 1 16 LYS HB3 3.560 . 4.060 2.813 2.366 3.699 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS H 1 16 LYS HG2 5.380 . 5.880 4.294 2.325 4.918 . 0 0 "[ . 1 . 2]" 1
165 1 16 LYS H 1 16 LYS HG3 5.380 . 5.880 4.156 2.304 4.540 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS H 1 17 VAL CB 5.390 . 5.890 5.391 5.187 5.593 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS H 1 17 VAL H 3.480 . 3.980 2.832 2.591 3.249 . 0 0 "[ . 1 . 2]" 1
168 1 16 LYS H 1 17 VAL HB 5.160 . 5.660 5.152 5.048 5.204 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS H 1 19 GLN HB2 5.210 . 5.710 5.037 3.454 5.255 . 0 0 "[ . 1 . 2]" 1
170 1 16 LYS HA 1 19 GLN HB2 3.750 . 4.250 2.808 2.306 3.232 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS HA 1 19 GLN QG 5.990 . 6.490 4.306 3.933 4.821 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS HA 1 20 ASP H 4.710 . 5.210 4.074 3.798 4.402 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS QB 1 17 VAL H 3.860 . 4.360 2.750 2.475 3.113 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS QB 1 18 SER H 5.990 . 6.490 4.877 4.641 5.152 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS HB2 1 17 VAL H 4.010 . 4.510 3.759 2.695 4.047 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS HB3 1 17 VAL H 4.010 . 4.510 2.950 2.505 3.779 . 0 0 "[ . 1 . 2]" 1
177 1 17 VAL CB 1 17 VAL H 3.200 . 3.700 2.599 2.487 2.676 . 0 0 "[ . 1 . 2]" 1
178 1 17 VAL CB 1 18 SER H 3.950 . 4.450 3.257 3.131 3.424 . 0 0 "[ . 1 . 2]" 1
179 1 17 VAL CB 1 20 ASP H 5.440 . 5.940 4.875 4.667 4.996 . 0 0 "[ . 1 . 2]" 1
180 1 17 VAL CB 1 21 TYR H 4.940 . 5.440 5.054 4.963 5.116 . 0 0 "[ . 1 . 2]" 1
181 1 17 VAL H 1 17 VAL HB 3.120 . 3.620 2.537 2.353 2.675 . 0 0 "[ . 1 . 2]" 1
182 1 17 VAL H 1 18 SER H 3.320 . 3.820 2.545 2.334 2.767 . 0 0 "[ . 1 . 2]" 1
183 1 17 VAL H 1 18 SER QB 5.520 . 6.020 4.574 4.206 4.834 . 0 0 "[ . 1 . 2]" 1
184 1 17 VAL H 1 19 GLN H 4.190 . 4.690 4.190 4.006 4.311 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL HA 1 20 ASP H 4.270 . 4.770 3.132 2.815 3.293 . 0 0 "[ . 1 . 2]" 1
186 1 17 VAL HA 1 20 ASP QB 5.050 . 5.550 2.151 1.995 2.328 . 0 0 "[ . 1 . 2]" 1
187 1 17 VAL HA 1 21 TYR H 5.500 . 6.000 3.824 3.676 4.011 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL HB 1 18 SER H 4.190 . 4.690 3.170 2.650 4.098 . 0 0 "[ . 1 . 2]" 1
189 1 17 VAL MG1 1 18 SER H 5.490 . 5.990 3.310 2.265 3.936 . 0 0 "[ . 1 . 2]" 1
190 1 17 VAL MG1 1 19 GLN H 6.610 . 7.110 5.193 4.500 5.542 . 0 0 "[ . 1 . 2]" 1
191 1 17 VAL MG2 1 18 SER H 5.490 . 5.990 3.902 3.756 4.071 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL MG2 1 19 GLN H 6.610 . 7.110 5.559 5.482 5.603 . 0 0 "[ . 1 . 2]" 1
193 1 18 SER H 1 18 SER HB2 3.300 . 3.800 2.637 2.401 2.893 . 0 0 "[ . 1 . 2]" 1
194 1 18 SER H 1 18 SER HB3 3.300 . 3.800 3.178 2.600 3.486 . 0 0 "[ . 1 . 2]" 1
195 1 18 SER H 1 19 GLN H 3.040 . 3.540 2.756 2.526 2.898 . 0 0 "[ . 1 . 2]" 1
196 1 18 SER H 1 20 ASP H 4.450 . 4.950 3.975 3.785 4.129 . 0 0 "[ . 1 . 2]" 1
197 1 18 SER H 1 29 ILE MD 6.610 . 7.110 4.184 3.708 4.633 . 0 0 "[ . 1 . 2]" 1
198 1 18 SER H 1 29 ILE MG 6.110 . 6.610 3.694 3.216 4.017 . 0 0 "[ . 1 . 2]" 1
199 1 18 SER HA 1 20 ASP H 5.500 . 6.000 4.449 3.904 4.674 . 0 0 "[ . 1 . 2]" 1
200 1 18 SER HA 1 21 TYR H 4.010 . 4.510 3.453 3.275 3.674 . 0 0 "[ . 1 . 2]" 1
201 1 18 SER HA 1 21 TYR QB 4.490 . 4.990 2.803 2.621 3.036 . 0 0 "[ . 1 . 2]" 1
202 1 18 SER HA 1 21 TYR QD 5.630 . 6.130 4.714 4.431 4.939 . 0 0 "[ . 1 . 2]" 1
203 1 18 SER HA 1 22 CYS H 4.680 . 5.180 4.382 3.982 4.692 . 0 0 "[ . 1 . 2]" 1
204 1 18 SER HA 1 29 ILE H 3.920 . 4.420 3.258 2.275 3.741 . 0 0 "[ . 1 . 2]" 1
205 1 18 SER HA 1 29 ILE HB 5.260 . 5.760 2.271 2.108 2.492 . 0 0 "[ . 1 . 2]" 1
206 1 18 SER HA 1 29 ILE MD 4.800 . 5.300 2.955 2.421 3.575 . 0 0 "[ . 1 . 2]" 1
207 1 18 SER HA 1 29 ILE QG 4.640 . 5.140 4.108 3.821 4.266 . 0 0 "[ . 1 . 2]" 1
208 1 18 SER HA 1 29 ILE MG 4.530 . 5.030 2.273 2.127 2.463 . 0 0 "[ . 1 . 2]" 1
209 1 18 SER QB 1 19 GLN H 3.490 . 3.990 2.338 2.171 2.604 . 0 0 "[ . 1 . 2]" 1
210 1 18 SER QB 1 29 ILE H 4.970 . 5.470 3.331 2.951 4.038 . 0 0 "[ . 1 . 2]" 1
211 1 18 SER QB 1 29 ILE HB 5.990 . 6.490 3.688 3.384 4.028 . 0 0 "[ . 1 . 2]" 1
212 1 18 SER QB 1 29 ILE MD 6.770 . 7.270 4.142 3.667 4.573 . 0 0 "[ . 1 . 2]" 1
213 1 18 SER QB 1 29 ILE MG 5.350 . 5.850 2.223 2.078 2.392 . 0 0 "[ . 1 . 2]" 1
214 1 18 SER HB2 1 19 GLN H 3.860 . 4.360 2.813 2.189 3.863 . 0 0 "[ . 1 . 2]" 1
215 1 18 SER HB2 1 29 ILE H 5.090 . 5.590 4.444 3.323 5.109 . 0 0 "[ . 1 . 2]" 1
216 1 18 SER HB3 1 19 GLN H 3.860 . 4.360 3.267 2.333 3.834 . 0 0 "[ . 1 . 2]" 1
217 1 18 SER HB3 1 29 ILE H 5.090 . 5.590 3.638 2.987 4.818 . 0 0 "[ . 1 . 2]" 1
218 1 19 GLN H 1 19 GLN HB2 3.230 . 3.730 2.358 2.263 2.429 . 0 0 "[ . 1 . 2]" 1
219 1 19 GLN H 1 19 GLN HB3 3.700 . 4.200 3.576 3.534 3.611 . 0 0 "[ . 1 . 2]" 1
220 1 19 GLN H 1 19 GLN HE21 5.500 . 6.000 4.804 4.706 4.996 . 0 0 "[ . 1 . 2]" 1
221 1 19 GLN H 1 19 GLN HG2 3.950 . 4.450 3.614 3.446 3.771 . 0 0 "[ . 1 . 2]" 1
222 1 19 GLN H 1 19 GLN QG 3.820 . 4.320 2.282 2.153 2.419 . 0 0 "[ . 1 . 2]" 1
223 1 19 GLN H 1 19 GLN HG3 3.950 . 4.450 2.307 2.174 2.451 . 0 0 "[ . 1 . 2]" 1
224 1 19 GLN H 1 20 ASP H 3.420 . 3.920 2.912 2.794 2.990 . 0 0 "[ . 1 . 2]" 1
225 1 19 GLN H 1 22 CYS H 5.070 . 5.570 4.885 4.698 5.101 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLN HA 1 19 GLN HG2 3.600 . 4.100 2.450 2.346 2.674 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLN HA 1 19 GLN HG3 3.600 . 4.100 2.780 2.642 2.921 . 0 0 "[ . 1 . 2]" 1
228 1 19 GLN HA 1 21 TYR H 4.860 . 5.360 4.541 4.368 4.796 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLN HB2 1 20 ASP H 3.590 . 4.090 2.876 2.661 3.413 . 0 0 "[ . 1 . 2]" 1
230 1 19 GLN HB3 1 20 ASP H 3.850 . 4.350 3.673 3.551 3.992 . 0 0 "[ . 1 . 2]" 1
231 1 19 GLN QG 1 20 ASP H 5.240 . 5.740 4.337 4.213 4.483 . 0 0 "[ . 1 . 2]" 1
232 1 19 GLN HG2 1 20 ASP H 5.480 . 5.980 5.192 5.095 5.285 . 0 0 "[ . 1 . 2]" 1
233 1 19 GLN HG3 1 20 ASP H 5.480 . 5.980 4.649 4.492 4.845 . 0 0 "[ . 1 . 2]" 1
234 1 20 ASP H 1 20 ASP HB2 3.700 . 4.200 2.571 2.396 2.986 . 0 0 "[ . 1 . 2]" 1
235 1 20 ASP H 1 20 ASP QB 3.420 . 3.920 2.216 2.158 2.273 . 0 0 "[ . 1 . 2]" 1
236 1 20 ASP H 1 20 ASP HB3 3.700 . 4.200 2.442 2.291 2.614 . 0 0 "[ . 1 . 2]" 1
237 1 20 ASP H 1 21 TYR H 3.460 . 3.960 2.791 2.408 2.873 . 0 0 "[ . 1 . 2]" 1
238 1 20 ASP H 1 21 TYR HB2 5.130 . 5.630 4.990 4.461 5.188 . 0 0 "[ . 1 . 2]" 1
239 1 20 ASP H 1 21 TYR HB3 5.130 . 5.630 5.085 4.665 5.198 . 0 0 "[ . 1 . 2]" 1
240 1 20 ASP H 1 23 LEU H 5.320 . 5.820 4.723 4.636 4.884 . 0 0 "[ . 1 . 2]" 1
241 1 20 ASP H 1 23 LEU MD1 6.610 . 7.110 4.990 4.612 5.501 . 0 0 "[ . 1 . 2]" 1
242 1 20 ASP H 1 23 LEU MD2 6.610 . 7.110 4.746 4.487 5.228 . 0 0 "[ . 1 . 2]" 1
243 1 20 ASP HA 1 23 LEU H 3.620 . 4.120 3.214 3.053 3.456 . 0 0 "[ . 1 . 2]" 1
244 1 20 ASP HA 1 23 LEU HB3 4.380 . 4.880 3.620 3.415 3.923 . 0 0 "[ . 1 . 2]" 1
245 1 20 ASP HA 1 23 LEU MD2 4.170 . 4.670 2.851 2.512 3.236 . 0 0 "[ . 1 . 2]" 1
246 1 20 ASP QB 1 21 TYR H 3.740 . 4.240 2.678 2.519 2.814 . 0 0 "[ . 1 . 2]" 1
247 1 20 ASP QB 1 23 LEU MD2 6.160 . 6.660 4.142 3.767 4.592 . 0 0 "[ . 1 . 2]" 1
248 1 20 ASP HB2 1 23 LEU H 5.500 . 6.000 5.512 5.402 5.636 . 0 0 "[ . 1 . 2]" 1
249 1 20 ASP HB3 1 23 LEU H 5.500 . 6.000 5.463 5.352 5.557 . 0 0 "[ . 1 . 2]" 1
250 1 21 TYR H 1 21 TYR HB2 3.290 . 3.790 2.337 2.175 2.504 . 0 0 "[ . 1 . 2]" 1
251 1 21 TYR H 1 21 TYR QB 3.180 . 3.680 2.192 2.103 2.270 . 0 0 "[ . 1 . 2]" 1
252 1 21 TYR H 1 21 TYR HB3 3.290 . 3.790 2.686 2.474 2.847 . 0 0 "[ . 1 . 2]" 1
253 1 21 TYR H 1 21 TYR QD 4.910 . 5.410 4.134 3.969 4.272 . 0 0 "[ . 1 . 2]" 1
254 1 21 TYR H 1 22 CYS H 3.300 . 3.800 2.809 2.643 2.896 . 0 0 "[ . 1 . 2]" 1
255 1 21 TYR H 1 29 ILE MD 6.610 . 7.110 3.878 3.668 4.061 . 0 0 "[ . 1 . 2]" 1
256 1 21 TYR H 1 29 ILE MG 6.610 . 7.110 4.957 4.693 5.215 . 0 0 "[ . 1 . 2]" 1
257 1 21 TYR HA 1 21 TYR QD 4.000 . 4.500 2.973 2.778 3.139 . 0 0 "[ . 1 . 2]" 1
258 1 21 TYR HA 1 25 HIS HD2 3.950 . 4.450 2.870 2.314 3.239 . 0 0 "[ . 1 . 2]" 1
259 1 21 TYR QB 1 22 CYS H 3.650 . 4.150 2.651 2.467 2.742 . 0 0 "[ . 1 . 2]" 1
260 1 21 TYR QB 1 25 HIS HD2 5.990 . 6.490 4.065 3.831 4.350 . 0 0 "[ . 1 . 2]" 1
261 1 21 TYR QB 1 29 ILE HA 4.460 . 4.960 3.261 2.871 3.796 . 0 0 "[ . 1 . 2]" 1
262 1 21 TYR QB 1 29 ILE HB 4.100 . 4.600 2.225 2.138 2.360 . 0 0 "[ . 1 . 2]" 1
263 1 21 TYR QB 1 29 ILE MD 4.770 . 5.270 2.335 2.215 2.642 . 0 0 "[ . 1 . 2]" 1
264 1 21 TYR QB 1 29 ILE QG 5.030 . 5.530 3.064 2.640 3.353 . 0 0 "[ . 1 . 2]" 1
265 1 21 TYR QB 1 29 ILE MG 5.160 . 5.660 3.557 3.437 3.779 . 0 0 "[ . 1 . 2]" 1
266 1 21 TYR HB2 1 22 CYS H 3.980 . 4.480 3.850 3.687 3.996 . 0 0 "[ . 1 . 2]" 1
267 1 21 TYR HB2 1 29 ILE H 5.000 . 5.500 4.752 4.116 5.042 . 0 0 "[ . 1 . 2]" 1
268 1 21 TYR HB2 1 29 ILE MD 5.240 . 5.740 2.381 2.257 2.757 . 0 0 "[ . 1 . 2]" 1
269 1 21 TYR HB3 1 22 CYS H 3.980 . 4.480 2.701 2.505 2.792 . 0 0 "[ . 1 . 2]" 1
270 1 21 TYR HB3 1 29 ILE H 5.000 . 5.500 3.555 3.122 3.786 . 0 0 "[ . 1 . 2]" 1
271 1 21 TYR HB3 1 29 ILE MD 5.240 . 5.740 3.415 3.140 3.679 . 0 0 "[ . 1 . 2]" 1
272 1 21 TYR QD 1 22 CYS HA 4.570 . 5.070 3.571 3.298 4.006 . 0 0 "[ . 1 . 2]" 1
273 1 21 TYR QD 1 25 HIS QB 4.800 . 5.300 2.964 2.609 3.556 . 0 0 "[ . 1 . 2]" 1
274 1 21 TYR QD 1 25 HIS HD2 4.530 . 5.030 3.242 2.973 3.520 . 0 0 "[ . 1 . 2]" 1
275 1 21 TYR QD 1 27 LYS QB 6.270 . 6.770 4.277 2.868 5.012 . 0 0 "[ . 1 . 2]" 1
276 1 21 TYR QD 1 27 LYS QD 6.790 . 7.290 4.546 3.905 5.470 . 0 0 "[ . 1 . 2]" 1
277 1 21 TYR QD 1 28 CYS HA 4.860 . 5.360 3.746 3.082 4.331 . 0 0 "[ . 1 . 2]" 1
278 1 21 TYR QD 1 29 ILE HA 4.230 . 4.730 2.918 2.568 3.356 . 0 0 "[ . 1 . 2]" 1
279 1 21 TYR QD 1 29 ILE HB 4.530 . 5.030 3.465 3.088 3.620 . 0 0 "[ . 1 . 2]" 1
280 1 21 TYR QD 1 29 ILE MD 5.350 . 5.850 2.899 2.311 3.785 . 0 0 "[ . 1 . 2]" 1
281 1 21 TYR QD 1 29 ILE QG 5.350 . 5.850 2.940 2.670 3.441 . 0 0 "[ . 1 . 2]" 1
282 1 21 TYR QD 1 29 ILE MG 6.040 . 6.540 4.498 4.295 4.569 . 0 0 "[ . 1 . 2]" 1
283 1 21 TYR HD2 1 25 HIS HB2 4.590 . 5.090 3.126 2.785 3.628 . 0 0 "[ . 1 . 2]" 1
284 1 21 TYR HD2 1 25 HIS QB 4.490 . 4.990 2.955 2.549 3.524 . 0 0 "[ . 1 . 2]" 1
285 1 21 TYR HD2 1 25 HIS HB3 4.590 . 5.090 3.757 2.955 4.785 . 0 0 "[ . 1 . 2]" 1
286 1 21 TYR HD2 1 27 LYS QB 5.690 . 6.190 4.109 2.725 4.931 . 0 0 "[ . 1 . 2]" 1
287 1 21 TYR HD2 1 27 LYS QD 5.250 . 5.750 3.608 2.238 5.348 . 0 0 "[ . 1 . 2]" 1
288 1 21 TYR HD2 1 27 LYS QG 6.250 . 6.750 3.300 2.137 5.647 . 0 0 "[ . 1 . 2]" 1
289 1 21 TYR HD2 1 29 ILE HA 4.970 . 5.470 3.153 2.573 3.771 . 0 0 "[ . 1 . 2]" 1
290 1 21 TYR HD2 1 29 ILE MD 7.310 . 7.810 3.296 2.313 4.503 . 0 0 "[ . 1 . 2]" 1
291 1 21 TYR HD2 1 29 ILE QG 6.640 . 7.140 3.136 2.677 3.803 . 0 0 "[ . 1 . 2]" 1
292 1 21 TYR HD2 1 29 ILE MG 7.400 . 7.900 4.789 4.579 5.094 . 0 0 "[ . 1 . 2]" 1
293 1 21 TYR HD2 1 30 PRO QD 5.560 . 6.060 3.047 2.536 3.863 . 0 0 "[ . 1 . 2]" 1
294 1 22 CYS H 1 22 CYS HB2 3.700 . 4.200 2.634 2.434 3.612 . 0 0 "[ . 1 . 2]" 1
295 1 22 CYS H 1 22 CYS QB 3.240 . 3.740 2.234 2.132 2.497 . 0 0 "[ . 1 . 2]" 1
296 1 22 CYS H 1 22 CYS HB3 3.700 . 4.200 2.434 2.242 2.545 . 0 0 "[ . 1 . 2]" 1
297 1 22 CYS H 1 23 LEU H 3.460 . 3.960 2.617 2.536 2.701 . 0 0 "[ . 1 . 2]" 1
298 1 22 CYS H 1 23 LEU HB2 4.260 . 4.760 4.336 4.282 4.389 . 0 0 "[ . 1 . 2]" 1
299 1 22 CYS H 1 23 LEU MD2 6.610 . 7.110 5.542 5.506 5.621 . 0 0 "[ . 1 . 2]" 1
300 1 22 CYS H 1 24 LYS H 5.500 . 6.000 4.009 3.850 4.190 . 0 0 "[ . 1 . 2]" 1
301 1 22 CYS H 1 28 CYS HA 5.070 . 5.570 4.233 3.726 4.480 . 0 0 "[ . 1 . 2]" 1
302 1 22 CYS H 1 29 ILE MD 6.610 . 7.110 5.493 5.303 5.574 . 0 0 "[ . 1 . 2]" 1
303 1 22 CYS H 1 29 ILE MG 6.610 . 7.110 5.552 5.521 5.587 . 0 0 "[ . 1 . 2]" 1
304 1 22 CYS HA 1 23 LEU MD1 6.410 . 6.910 4.843 4.623 5.029 . 0 0 "[ . 1 . 2]" 1
305 1 22 CYS HA 1 25 HIS H 3.670 . 4.170 3.091 2.861 3.249 . 0 0 "[ . 1 . 2]" 1
306 1 22 CYS HA 1 25 HIS QB 5.250 . 5.750 3.432 3.007 3.756 . 0 0 "[ . 1 . 2]" 1
307 1 22 CYS HA 1 26 CYS H 3.010 . 3.510 3.012 2.795 3.092 . 0 0 "[ . 1 . 2]" 1
308 1 22 CYS HA 1 27 LYS H 2.960 . 3.460 2.368 2.088 2.669 . 0 0 "[ . 1 . 2]" 1
309 1 22 CYS QB 1 23 LEU H 4.040 . 4.540 2.892 2.742 3.628 . 0 0 "[ . 1 . 2]" 1
310 1 22 CYS QB 1 27 LYS H 4.590 . 5.090 3.859 3.486 4.121 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU H 1 23 LEU HB2 3.040 . 3.540 2.022 1.964 2.075 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU H 1 23 LEU HB3 3.580 . 4.080 3.343 3.227 3.419 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU H 1 23 LEU MD1 4.960 . 5.460 2.721 2.597 3.027 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU H 1 23 LEU MD2 5.040 . 5.540 3.763 3.675 3.864 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU H 1 23 LEU HG 4.650 . 5.150 4.235 4.145 4.388 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU H 1 24 LYS H 3.080 . 3.580 2.714 2.522 2.825 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU H 1 24 LYS HB2 5.100 . 5.600 4.863 4.518 5.124 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU HA 1 23 LEU MD1 3.830 . 4.330 2.230 2.135 2.362 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU HA 1 25 HIS H 4.730 . 5.230 4.407 4.113 4.731 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU HA 1 26 CYS H 5.330 . 5.830 4.245 4.007 4.524 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU HB2 1 25 HIS H 5.440 . 5.940 5.413 5.313 5.467 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU HB3 1 24 LYS H 3.900 . 4.400 3.623 3.062 3.935 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU HB3 1 25 HIS H 5.500 . 6.000 5.572 5.419 5.663 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU MD1 1 24 LYS H 6.610 . 7.110 4.569 4.461 4.663 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU MD2 1 24 LYS H 6.350 . 6.850 5.103 4.674 5.335 . 0 0 "[ . 1 . 2]" 1
326 1 24 LYS H 1 24 LYS HB2 3.470 . 3.970 2.443 2.308 2.692 . 0 0 "[ . 1 . 2]" 1
327 1 24 LYS H 1 24 LYS HB3 4.120 . 4.620 3.662 3.595 3.833 . 0 0 "[ . 1 . 2]" 1
328 1 24 LYS H 1 24 LYS QD 5.290 . 5.790 3.955 3.334 4.723 . 0 0 "[ . 1 . 2]" 1
329 1 24 LYS H 1 24 LYS QE 6.170 . 6.670 5.008 3.683 5.532 . 0 0 "[ . 1 . 2]" 1
330 1 24 LYS H 1 24 LYS HG2 4.160 . 4.660 3.619 2.301 4.194 . 0 0 "[ . 1 . 2]" 1
331 1 24 LYS H 1 24 LYS QG 3.940 . 4.440 2.705 2.277 3.034 . 0 0 "[ . 1 . 2]" 1
332 1 24 LYS H 1 24 LYS HG3 4.160 . 4.660 3.073 2.387 4.124 . 0 0 "[ . 1 . 2]" 1
333 1 24 LYS H 1 25 HIS H 3.170 . 3.670 2.256 1.905 2.830 . 0 0 "[ . 1 . 2]" 1
334 1 24 LYS H 1 26 CYS H 4.640 . 5.140 3.996 3.499 4.436 . 0 0 "[ . 1 . 2]" 1
335 1 24 LYS HA 1 24 LYS QD 4.520 . 5.020 3.570 2.156 4.066 . 0 0 "[ . 1 . 2]" 1
336 1 24 LYS HA 1 24 LYS HG2 4.060 . 4.560 2.680 2.368 3.316 . 0 0 "[ . 1 . 2]" 1
337 1 24 LYS HA 1 24 LYS HG3 4.060 . 4.560 3.162 2.619 3.825 . 0 0 "[ . 1 . 2]" 1
338 1 24 LYS HA 1 26 CYS H 5.500 . 6.000 4.938 4.623 5.111 . 0 0 "[ . 1 . 2]" 1
339 1 24 LYS HB2 1 25 HIS H 3.700 . 4.200 2.965 2.455 3.287 . 0 0 "[ . 1 . 2]" 1
340 1 24 LYS HB2 1 25 HIS HD2 3.830 . 4.330 2.351 2.185 2.920 . 0 0 "[ . 1 . 2]" 1
341 1 24 LYS HB2 1 26 CYS H 5.500 . 6.000 5.299 4.999 5.510 . 0 0 "[ . 1 . 2]" 1
342 1 24 LYS HB3 1 24 LYS QE 4.640 . 5.140 3.907 3.229 4.079 . 0 0 "[ . 1 . 2]" 1
343 1 24 LYS HB3 1 25 HIS HA 5.500 . 6.000 4.602 4.157 4.817 . 0 0 "[ . 1 . 2]" 1
344 1 24 LYS HB3 1 25 HIS HD2 5.430 . 5.930 3.275 2.837 4.066 . 0 0 "[ . 1 . 2]" 1
345 1 24 LYS QG 1 25 HIS H 4.800 . 5.300 4.259 4.078 4.357 . 0 0 "[ . 1 . 2]" 1
346 1 24 LYS QG 1 25 HIS HD2 4.780 . 5.280 4.271 3.940 4.377 . 0 0 "[ . 1 . 2]" 1
347 1 25 HIS H 1 25 HIS HB2 3.820 . 4.320 2.588 2.419 2.711 . 0 0 "[ . 1 . 2]" 1
348 1 25 HIS H 1 25 HIS QB 3.590 . 4.090 2.545 2.387 2.657 . 0 0 "[ . 1 . 2]" 1
349 1 25 HIS H 1 25 HIS HB3 3.820 . 4.320 3.758 3.649 3.833 . 0 0 "[ . 1 . 2]" 1
350 1 25 HIS H 1 25 HIS HD2 4.120 . 4.620 3.382 3.043 3.650 . 0 0 "[ . 1 . 2]" 1
351 1 25 HIS H 1 26 CYS H 3.180 . 3.680 2.362 2.153 2.572 . 0 0 "[ . 1 . 2]" 1
352 1 25 HIS H 1 27 LYS H 4.390 . 4.890 3.754 3.414 3.878 . 0 0 "[ . 1 . 2]" 1
353 1 25 HIS QB 1 26 CYS H 4.490 . 4.990 3.527 3.368 3.652 . 0 0 "[ . 1 . 2]" 1
354 1 25 HIS QB 1 27 LYS H 4.190 . 4.690 2.889 2.597 3.289 . 0 0 "[ . 1 . 2]" 1
355 1 25 HIS HB2 1 26 CYS H 4.620 . 5.120 3.731 3.525 3.884 . 0 0 "[ . 1 . 2]" 1
356 1 25 HIS HB3 1 26 CYS H 4.620 . 5.120 4.347 4.213 4.443 . 0 0 "[ . 1 . 2]" 1
357 1 26 CYS H 1 27 LYS H 3.550 . 4.050 2.910 2.740 3.101 . 0 0 "[ . 1 . 2]" 1
358 1 26 CYS HA 1 27 LYS H 3.500 . 4.000 3.036 2.708 3.303 . 0 0 "[ . 1 . 2]" 1
359 1 27 LYS H 1 27 LYS QD 4.850 . 5.350 4.275 3.688 4.428 . 0 0 "[ . 1 . 2]" 1
360 1 27 LYS H 1 27 LYS QE 6.170 . 6.670 4.727 3.657 5.556 . 0 0 "[ . 1 . 2]" 1
361 1 27 LYS H 1 27 LYS QG 4.440 . 4.940 2.553 2.221 3.188 . 0 0 "[ . 1 . 2]" 1
362 1 27 LYS H 1 28 CYS H 4.500 . 5.000 4.439 4.371 4.534 . 0 0 "[ . 1 . 2]" 1
363 1 27 LYS HA 1 28 CYS H 2.950 . 3.450 2.349 2.193 2.472 . 0 0 "[ . 1 . 2]" 1
364 1 27 LYS HB2 1 28 CYS H 3.740 . 4.240 2.893 2.348 3.841 . 0 0 "[ . 1 . 2]" 1
365 1 27 LYS HB3 1 28 CYS H 3.740 . 4.240 3.461 2.397 3.910 . 0 0 "[ . 1 . 2]" 1
366 1 27 LYS QD 1 28 CYS H 5.720 . 6.220 4.691 4.291 5.134 . 0 0 "[ . 1 . 2]" 1
367 1 28 CYS H 1 28 CYS HB2 3.280 . 3.780 2.537 2.363 2.632 . 0 0 "[ . 1 . 2]" 1
368 1 28 CYS H 1 28 CYS HB3 3.690 . 4.190 3.103 2.536 3.688 . 0 0 "[ . 1 . 2]" 1
369 1 28 CYS H 1 29 ILE H 4.800 . 5.300 4.639 4.569 4.712 . 0 0 "[ . 1 . 2]" 1
370 1 28 CYS HA 1 29 ILE H 3.210 . 3.710 2.356 2.250 2.489 . 0 0 "[ . 1 . 2]" 1
371 1 28 CYS HB2 1 29 ILE H 4.380 . 4.880 3.816 3.412 3.982 . 0 0 "[ . 1 . 2]" 1
372 1 28 CYS HB3 1 29 ILE H 3.340 . 3.840 3.078 2.433 3.478 . 0 0 "[ . 1 . 2]" 1
373 1 29 ILE H 1 29 ILE HB 3.510 . 4.010 2.473 2.269 2.576 . 0 0 "[ . 1 . 2]" 1
374 1 29 ILE H 1 29 ILE MD 5.400 . 5.900 4.356 4.201 4.437 . 0 0 "[ . 1 . 2]" 1
375 1 29 ILE H 1 29 ILE QG 4.780 . 5.280 3.991 3.942 4.025 . 0 0 "[ . 1 . 2]" 1
376 1 29 ILE H 1 29 ILE MG 4.320 . 4.820 2.071 1.893 2.273 . 0 0 "[ . 1 . 2]" 1
377 1 29 ILE HB 1 30 PRO QD 5.530 . 6.030 3.865 3.695 4.007 . 0 0 "[ . 1 . 2]" 1
378 1 29 ILE MD 1 29 ILE MG 3.500 . 4.000 2.125 2.103 2.165 . 0 0 "[ . 1 . 2]" 1
379 1 29 ILE MD 1 30 PRO QD 6.620 . 7.120 3.688 3.340 3.931 . 0 0 "[ . 1 . 2]" 1
380 1 29 ILE QG 1 30 PRO QD 6.430 . 6.930 2.150 1.922 2.410 . 0 0 "[ . 1 . 2]" 1
381 1 29 ILE MG 1 30 PRO QD 6.080 . 6.580 3.919 3.581 4.105 . 0 0 "[ . 1 . 2]" 1
382 1 30 PRO HA 1 31 ARG H 3.030 . 3.530 2.314 2.063 3.445 . 0 0 "[ . 1 . 2]" 1
383 1 30 PRO QB 1 31 ARG H 4.950 . 5.450 3.211 2.538 3.947 . 0 0 "[ . 1 . 2]" 1
384 1 31 ARG H 1 31 ARG QG 4.130 . 4.630 2.929 2.236 3.934 . 0 0 "[ . 1 . 2]" 1
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