NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602960 |
2naw   |
25949 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2naw
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 489
_Distance_constraint_stats_list.Viol_count 807
_Distance_constraint_stats_list.Viol_total 799.238
_Distance_constraint_stats_list.Viol_max 0.289
_Distance_constraint_stats_list.Viol_rms 0.0199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0495
_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 4 GLY 0.180 0.058 10 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PHE 0.180 0.058 10 0 "[ . 1 . 2]"
1 7 THR 0.432 0.092 13 0 "[ . 1 . 2]"
1 8 SER 0.289 0.090 12 0 "[ . 1 . 2]"
1 9 ASP 1.586 0.099 13 0 "[ . 1 . 2]"
1 10 LEU 1.445 0.094 9 0 "[ . 1 . 2]"
1 11 SER 0.341 0.094 9 0 "[ . 1 . 2]"
1 12 LYS 3.579 0.173 2 0 "[ . 1 . 2]"
1 13 GLN 3.006 0.174 19 0 "[ . 1 . 2]"
1 14 MET 0.181 0.121 19 0 "[ . 1 . 2]"
1 15 GLU 0.465 0.100 3 0 "[ . 1 . 2]"
1 16 GLU 0.763 0.101 6 0 "[ . 1 . 2]"
1 17 GLU 6.890 0.289 18 0 "[ . 1 . 2]"
1 18 ALA 5.839 0.289 18 0 "[ . 1 . 2]"
1 19 VAL 1.663 0.122 13 0 "[ . 1 . 2]"
1 20 ARG 2.214 0.131 7 0 "[ . 1 . 2]"
1 21 CYS 2.351 0.137 11 0 "[ . 1 . 2]"
1 22 PHE 2.993 0.122 13 0 "[ . 1 . 2]"
1 23 ILE 1.226 0.105 5 0 "[ . 1 . 2]"
1 24 GLU 2.880 0.112 15 0 "[ . 1 . 2]"
1 25 CYS 2.165 0.094 19 0 "[ . 1 . 2]"
1 26 LEU 0.714 0.111 7 0 "[ . 1 . 2]"
1 27 LYS 0.713 0.093 9 0 "[ . 1 . 2]"
1 28 GLY 2.181 0.177 1 0 "[ . 1 . 2]"
1 29 ILE 6.097 0.270 14 0 "[ . 1 . 2]"
1 30 GLY 6.942 0.270 14 0 "[ . 1 . 2]"
1 31 HIS 1.644 0.142 2 0 "[ . 1 . 2]"
1 32 LYS 1.628 0.121 18 0 "[ . 1 . 2]"
1 33 TYR 2.708 0.099 18 0 "[ . 1 . 2]"
1 34 PRO 1.520 0.094 5 0 "[ . 1 . 2]"
1 35 PHE 4.398 0.125 10 0 "[ . 1 . 2]"
1 36 CYS 1.598 0.075 3 0 "[ . 1 . 2]"
1 37 HIS 0.449 0.137 11 0 "[ . 1 . 2]"
1 38 CYS 1.342 0.263 6 0 "[ . 1 . 2]"
1 39 ARG 0.825 0.263 6 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 4 GLY H 1 5 THR H 5.370 . 5.370 3.292 1.953 4.418 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLY QA 1 5 THR H 3.370 . 3.370 2.469 2.105 2.902 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLY QA 1 6 PHE H 4.960 . 4.960 4.834 4.699 5.018 0.058 10 0 "[ . 1 . 2]" 1
4 1 5 THR H 1 5 THR HB 4.090 . 4.090 2.814 2.441 3.674 . 0 0 "[ . 1 . 2]" 1
5 1 5 THR H 1 5 THR MG 4.500 . 4.500 3.458 2.099 3.916 . 0 0 "[ . 1 . 2]" 1
6 1 5 THR H 1 6 PHE H 4.350 . 4.350 4.196 3.959 4.274 . 0 0 "[ . 1 . 2]" 1
7 1 5 THR HA 1 6 PHE H 3.250 . 3.250 2.142 2.092 2.219 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR HB 1 6 PHE H 4.640 . 4.640 4.176 3.643 4.364 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR MG 1 6 PHE H 5.000 . 5.000 3.365 2.853 4.222 . 0 0 "[ . 1 . 2]" 1
10 1 6 PHE H 1 6 PHE HB2 3.840 . 3.840 2.682 2.460 3.750 . 0 0 "[ . 1 . 2]" 1
11 1 6 PHE H 1 6 PHE QB 3.320 . 3.320 2.477 2.240 3.092 . 0 0 "[ . 1 . 2]" 1
12 1 6 PHE H 1 6 PHE HB3 3.840 . 3.840 3.262 2.455 3.755 . 0 0 "[ . 1 . 2]" 1
13 1 6 PHE H 1 6 PHE QD 5.260 . 5.260 3.295 2.506 4.290 . 0 0 "[ . 1 . 2]" 1
14 1 6 PHE H 1 7 THR H 4.630 . 4.630 4.296 3.994 4.525 . 0 0 "[ . 1 . 2]" 1
15 1 6 PHE HA 1 6 PHE QD 4.090 . 4.090 2.828 2.582 3.747 . 0 0 "[ . 1 . 2]" 1
16 1 6 PHE HA 1 7 THR H 3.130 . 3.130 2.151 2.001 2.280 . 0 0 "[ . 1 . 2]" 1
17 1 6 PHE QB 1 7 THR H 3.990 . 3.990 3.476 2.801 3.853 . 0 0 "[ . 1 . 2]" 1
18 1 6 PHE HB2 1 7 THR H 4.780 . 4.780 4.232 3.601 4.457 . 0 0 "[ . 1 . 2]" 1
19 1 6 PHE HB3 1 7 THR H 4.780 . 4.780 3.745 2.861 4.302 . 0 0 "[ . 1 . 2]" 1
20 1 6 PHE QD 1 7 THR H 5.500 . 5.500 4.071 3.450 4.697 . 0 0 "[ . 1 . 2]" 1
21 1 7 THR H 1 7 THR HB 3.860 . 3.860 2.879 2.425 3.722 . 0 0 "[ . 1 . 2]" 1
22 1 7 THR H 1 7 THR MG 3.990 . 3.990 3.245 1.901 3.899 . 0 0 "[ . 1 . 2]" 1
23 1 7 THR H 1 8 SER H 4.440 . 4.440 4.239 3.957 4.458 0.018 16 0 "[ . 1 . 2]" 1
24 1 7 THR H 1 10 LEU QB 5.500 . 5.500 4.496 2.558 5.592 0.092 13 0 "[ . 1 . 2]" 1
25 1 7 THR H 1 10 LEU QD 5.440 . 5.440 4.448 1.968 5.467 0.027 5 0 "[ . 1 . 2]" 1
26 1 7 THR HA 1 7 THR MG 3.700 . 3.700 2.597 2.203 3.245 . 0 0 "[ . 1 . 2]" 1
27 1 7 THR HA 1 8 SER H 3.090 . 3.090 2.170 2.072 2.326 . 0 0 "[ . 1 . 2]" 1
28 1 7 THR HA 1 10 LEU QB 4.680 . 4.680 3.940 2.368 4.735 0.055 20 0 "[ . 1 . 2]" 1
29 1 7 THR HB 1 8 SER H 4.720 . 4.720 4.083 2.926 4.438 . 0 0 "[ . 1 . 2]" 1
30 1 7 THR MG 1 8 SER H 4.340 . 4.340 3.303 2.400 4.072 . 0 0 "[ . 1 . 2]" 1
31 1 7 THR MG 1 9 ASP H 5.500 . 5.500 4.828 3.285 5.536 0.036 17 0 "[ . 1 . 2]" 1
32 1 7 THR MG 1 10 LEU H 5.500 . 5.500 3.638 2.526 5.514 0.014 17 0 "[ . 1 . 2]" 1
33 1 8 SER H 1 8 SER HB2 3.910 . 3.910 2.750 2.411 3.835 . 0 0 "[ . 1 . 2]" 1
34 1 8 SER H 1 8 SER QB 3.400 . 3.400 2.550 2.258 3.223 . 0 0 "[ . 1 . 2]" 1
35 1 8 SER H 1 8 SER HB3 3.910 . 3.910 3.371 2.504 3.848 . 0 0 "[ . 1 . 2]" 1
36 1 8 SER H 1 9 ASP H 4.520 . 4.520 4.250 3.510 4.545 0.025 15 0 "[ . 1 . 2]" 1
37 1 8 SER HA 1 10 LEU H 5.040 . 5.040 3.670 3.158 4.176 . 0 0 "[ . 1 . 2]" 1
38 1 8 SER QB 1 9 ASP H 3.820 . 3.820 3.200 1.903 3.910 0.090 12 0 "[ . 1 . 2]" 1
39 1 8 SER QB 1 9 ASP QB 4.540 . 4.540 3.679 3.216 4.340 . 0 0 "[ . 1 . 2]" 1
40 1 8 SER QB 1 10 LEU QB 5.340 . 5.340 4.795 2.941 5.416 0.076 7 0 "[ . 1 . 2]" 1
41 1 9 ASP H 1 9 ASP QB 3.260 . 3.260 3.084 2.393 3.359 0.099 13 0 "[ . 1 . 2]" 1
42 1 9 ASP H 1 10 LEU H 3.420 . 3.420 2.715 2.445 3.156 . 0 0 "[ . 1 . 2]" 1
43 1 9 ASP H 1 10 LEU HA 5.500 . 5.500 5.257 5.094 5.508 0.008 10 0 "[ . 1 . 2]" 1
44 1 9 ASP H 1 10 LEU QB 4.500 . 4.500 4.351 4.142 4.583 0.083 8 0 "[ . 1 . 2]" 1
45 1 9 ASP HA 1 10 LEU H 3.570 . 3.570 3.113 2.857 3.424 . 0 0 "[ . 1 . 2]" 1
46 1 9 ASP HA 1 10 LEU QB 5.280 . 5.280 4.817 4.480 5.019 . 0 0 "[ . 1 . 2]" 1
47 1 9 ASP HA 1 12 LYS H 4.820 . 4.820 2.765 2.429 3.485 . 0 0 "[ . 1 . 2]" 1
48 1 9 ASP HA 1 12 LYS QB 3.990 . 3.990 3.232 2.099 3.918 . 0 0 "[ . 1 . 2]" 1
49 1 9 ASP HA 1 12 LYS QD 5.340 . 5.340 4.643 3.030 5.415 0.075 14 0 "[ . 1 . 2]" 1
50 1 9 ASP QB 1 12 LYS H 4.690 . 4.690 4.436 3.978 4.746 0.056 13 0 "[ . 1 . 2]" 1
51 1 9 ASP HB2 1 10 LEU H 4.400 . 4.400 4.058 2.506 4.454 0.054 15 0 "[ . 1 . 2]" 1
52 1 9 ASP HB2 1 12 LYS H 5.500 . 5.500 5.172 4.961 5.352 . 0 0 "[ . 1 . 2]" 1
53 1 9 ASP HB3 1 10 LEU H 4.400 . 4.400 3.842 2.912 4.409 0.009 18 0 "[ . 1 . 2]" 1
54 1 9 ASP HB3 1 12 LYS H 5.500 . 5.500 4.874 4.188 5.405 . 0 0 "[ . 1 . 2]" 1
55 1 10 LEU H 1 10 LEU QB 3.040 . 3.040 2.191 2.079 2.289 . 0 0 "[ . 1 . 2]" 1
56 1 10 LEU H 1 10 LEU QD 4.770 . 4.770 3.723 3.671 3.796 . 0 0 "[ . 1 . 2]" 1
57 1 10 LEU H 1 12 LYS QB 5.030 . 5.030 4.945 4.719 5.086 0.056 11 0 "[ . 1 . 2]" 1
58 1 10 LEU HA 1 10 LEU MD1 4.140 . 4.140 3.545 2.369 3.883 . 0 0 "[ . 1 . 2]" 1
59 1 10 LEU HA 1 10 LEU QD 3.240 . 3.240 2.736 2.029 3.121 . 0 0 "[ . 1 . 2]" 1
60 1 10 LEU HA 1 10 LEU MD2 4.140 . 4.140 2.929 2.053 3.965 . 0 0 "[ . 1 . 2]" 1
61 1 10 LEU QB 1 10 LEU MD1 3.100 . 3.100 2.144 2.054 2.352 . 0 0 "[ . 1 . 2]" 1
62 1 10 LEU QB 1 10 LEU QD 2.550 . 2.550 1.966 1.902 2.100 . 0 0 "[ . 1 . 2]" 1
63 1 10 LEU QB 1 10 LEU MD2 3.100 . 3.100 2.297 2.102 2.404 . 0 0 "[ . 1 . 2]" 1
64 1 10 LEU QB 1 11 SER H 3.470 . 3.470 2.428 2.255 2.589 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU QB 1 11 SER QB 4.260 . 4.260 3.818 3.452 4.264 0.004 14 0 "[ . 1 . 2]" 1
66 1 10 LEU QD 1 11 SER H 4.370 . 4.370 3.230 2.999 3.641 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU QD 1 11 SER HA 3.650 . 3.650 3.245 2.843 3.744 0.094 9 0 "[ . 1 . 2]" 1
68 1 10 LEU QD 1 11 SER QB 3.570 . 3.570 3.254 2.534 3.654 0.084 14 0 "[ . 1 . 2]" 1
69 1 10 LEU MD1 1 11 SER H 5.380 . 5.380 4.188 3.299 4.607 . 0 0 "[ . 1 . 2]" 1
70 1 10 LEU MD2 1 11 SER H 5.380 . 5.380 3.607 3.044 4.603 . 0 0 "[ . 1 . 2]" 1
71 1 11 SER H 1 11 SER HB2 3.690 . 3.690 2.981 2.467 3.678 . 0 0 "[ . 1 . 2]" 1
72 1 11 SER H 1 11 SER HB3 3.690 . 3.690 2.937 2.400 3.710 0.020 1 0 "[ . 1 . 2]" 1
73 1 11 SER H 1 12 LYS H 4.180 . 4.180 2.017 1.802 2.326 . 0 0 "[ . 1 . 2]" 1
74 1 11 SER H 1 12 LYS QB 5.280 . 5.280 4.440 4.160 4.774 . 0 0 "[ . 1 . 2]" 1
75 1 11 SER QB 1 12 LYS H 4.010 . 4.010 3.273 2.988 3.702 . 0 0 "[ . 1 . 2]" 1
76 1 12 LYS H 1 12 LYS QB 3.010 . 3.010 2.828 2.689 2.977 . 0 0 "[ . 1 . 2]" 1
77 1 12 LYS H 1 12 LYS QD 4.850 . 4.850 4.756 4.021 4.940 0.090 2 0 "[ . 1 . 2]" 1
78 1 12 LYS H 1 12 LYS HG2 4.980 . 4.980 4.453 3.159 5.022 0.042 8 0 "[ . 1 . 2]" 1
79 1 12 LYS H 1 12 LYS HG3 4.980 . 4.980 4.334 4.119 4.750 . 0 0 "[ . 1 . 2]" 1
80 1 12 LYS HA 1 12 LYS QD 4.230 . 4.230 3.884 2.104 4.270 0.040 19 0 "[ . 1 . 2]" 1
81 1 12 LYS HA 1 12 LYS HG2 3.870 . 3.870 3.192 2.698 3.799 . 0 0 "[ . 1 . 2]" 1
82 1 12 LYS HA 1 12 LYS HG3 3.870 . 3.870 2.847 2.341 3.869 . 0 0 "[ . 1 . 2]" 1
83 1 12 LYS QB 1 13 GLN H 3.790 . 3.790 3.751 3.551 3.923 0.133 19 0 "[ . 1 . 2]" 1
84 1 12 LYS QD 1 13 GLN H 5.500 . 5.500 5.498 3.909 5.673 0.173 2 0 "[ . 1 . 2]" 1
85 1 12 LYS HG2 1 13 GLN H 5.370 . 5.370 4.625 4.182 5.498 0.128 8 0 "[ . 1 . 2]" 1
86 1 12 LYS HG3 1 13 GLN H 5.370 . 5.370 4.773 4.008 5.266 . 0 0 "[ . 1 . 2]" 1
87 1 13 GLN H 1 13 GLN QB 2.840 . 2.840 2.554 2.162 2.926 0.086 5 0 "[ . 1 . 2]" 1
88 1 13 GLN H 1 13 GLN HG2 4.490 . 4.490 3.551 2.041 4.495 0.005 7 0 "[ . 1 . 2]" 1
89 1 13 GLN H 1 13 GLN QG 3.720 . 3.720 2.898 2.011 3.894 0.174 19 0 "[ . 1 . 2]" 1
90 1 13 GLN H 1 13 GLN HG3 4.490 . 4.490 3.419 2.132 4.556 0.066 19 0 "[ . 1 . 2]" 1
91 1 13 GLN HA 1 13 GLN HG2 3.870 . 3.870 2.959 2.456 3.835 . 0 0 "[ . 1 . 2]" 1
92 1 13 GLN HA 1 13 GLN HG3 3.870 . 3.870 3.267 2.435 3.812 . 0 0 "[ . 1 . 2]" 1
93 1 13 GLN QB 1 14 MET H 3.080 . 3.080 2.545 1.713 3.138 0.058 10 0 "[ . 1 . 2]" 1
94 1 13 GLN HG2 1 14 MET H 5.500 . 5.500 4.374 3.754 4.983 . 0 0 "[ . 1 . 2]" 1
95 1 13 GLN HG3 1 14 MET H 5.500 . 5.500 4.541 3.329 5.502 0.002 10 0 "[ . 1 . 2]" 1
96 1 14 MET H 1 14 MET QB 2.970 . 2.970 2.509 2.211 3.091 0.121 19 0 "[ . 1 . 2]" 1
97 1 14 MET H 1 14 MET HG2 5.140 . 5.140 4.071 2.213 5.058 . 0 0 "[ . 1 . 2]" 1
98 1 14 MET H 1 14 MET HG3 5.140 . 5.140 4.072 2.731 5.011 . 0 0 "[ . 1 . 2]" 1
99 1 14 MET HA 1 14 MET HG2 4.060 . 4.060 3.234 2.431 3.794 . 0 0 "[ . 1 . 2]" 1
100 1 14 MET HA 1 14 MET QG 3.530 . 3.530 2.664 2.334 3.384 . 0 0 "[ . 1 . 2]" 1
101 1 14 MET HA 1 14 MET HG3 4.060 . 4.060 3.034 2.467 3.807 . 0 0 "[ . 1 . 2]" 1
102 1 14 MET QG 1 15 GLU H 5.340 . 5.340 3.759 1.974 4.741 . 0 0 "[ . 1 . 2]" 1
103 1 15 GLU H 1 15 GLU QB 3.180 . 3.180 2.575 2.102 3.267 0.087 12 0 "[ . 1 . 2]" 1
104 1 15 GLU H 1 15 GLU QG 4.540 . 4.540 3.128 1.926 4.293 . 0 0 "[ . 1 . 2]" 1
105 1 15 GLU HA 1 15 GLU HG2 4.160 . 4.160 3.224 2.484 3.790 . 0 0 "[ . 1 . 2]" 1
106 1 15 GLU HA 1 15 GLU QG 3.350 . 3.350 2.764 2.400 3.450 0.100 3 0 "[ . 1 . 2]" 1
107 1 15 GLU HA 1 15 GLU HG3 4.160 . 4.160 3.236 2.479 4.218 0.058 7 0 "[ . 1 . 2]" 1
108 1 15 GLU HA 1 19 VAL QG 5.440 . 5.440 3.885 1.846 5.492 0.052 2 0 "[ . 1 . 2]" 1
109 1 15 GLU QG 1 16 GLU H 5.250 . 5.250 4.038 2.525 4.830 . 0 0 "[ . 1 . 2]" 1
110 1 16 GLU H 1 16 GLU QB 3.500 . 3.500 2.612 2.236 3.107 . 0 0 "[ . 1 . 2]" 1
111 1 16 GLU H 1 16 GLU HG2 4.640 . 4.640 3.469 1.961 4.741 0.101 6 0 "[ . 1 . 2]" 1
112 1 16 GLU H 1 16 GLU HG3 4.640 . 4.640 3.926 2.916 4.703 0.063 12 0 "[ . 1 . 2]" 1
113 1 16 GLU H 1 17 GLU H 5.500 . 5.500 3.271 1.921 4.572 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLU H 1 19 VAL QG 5.310 . 5.310 3.574 2.555 5.321 0.011 16 0 "[ . 1 . 2]" 1
115 1 16 GLU HA 1 16 GLU HG2 3.950 . 3.950 3.507 3.016 3.868 . 0 0 "[ . 1 . 2]" 1
116 1 16 GLU HA 1 16 GLU HG3 3.950 . 3.950 3.159 2.407 3.812 . 0 0 "[ . 1 . 2]" 1
117 1 16 GLU QB 1 17 GLU H 3.570 . 3.570 3.084 1.954 3.660 0.090 12 0 "[ . 1 . 2]" 1
118 1 16 GLU QG 1 17 GLU H 4.610 . 4.610 2.557 1.683 3.650 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLU QG 1 18 ALA H 5.330 . 5.330 5.126 4.709 5.376 0.046 8 0 "[ . 1 . 2]" 1
120 1 17 GLU H 1 17 GLU QB 2.860 . 2.860 2.542 2.125 2.970 0.110 16 0 "[ . 1 . 2]" 1
121 1 17 GLU H 1 17 GLU QG 3.520 . 3.520 2.438 1.843 3.610 0.090 10 0 "[ . 1 . 2]" 1
122 1 17 GLU H 1 18 ALA H 3.880 . 3.880 4.090 3.925 4.169 0.289 18 0 "[ . 1 . 2]" 1
123 1 17 GLU HA 1 17 GLU QG 3.680 . 3.680 3.017 2.390 3.521 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLU HA 1 19 VAL H 3.770 . 3.770 3.103 2.715 3.471 . 0 0 "[ . 1 . 2]" 1
125 1 17 GLU HA 1 20 ARG H 4.180 . 4.180 3.485 3.059 3.829 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLU HA 1 20 ARG HB2 3.830 . 3.830 3.422 3.266 3.948 0.118 20 0 "[ . 1 . 2]" 1
127 1 17 GLU HA 1 20 ARG HB3 4.900 . 4.900 4.970 4.873 5.031 0.131 7 0 "[ . 1 . 2]" 1
128 1 17 GLU HA 1 20 ARG HG2 5.100 . 5.100 3.973 1.953 5.058 . 0 0 "[ . 1 . 2]" 1
129 1 17 GLU HA 1 21 CYS H 5.450 . 5.450 4.787 3.987 5.347 . 0 0 "[ . 1 . 2]" 1
130 1 17 GLU HA 1 35 PHE QD 4.650 . 4.650 3.452 2.470 4.675 0.025 20 0 "[ . 1 . 2]" 1
131 1 17 GLU HA 1 35 PHE QE 4.290 . 4.290 2.957 2.088 4.074 . 0 0 "[ . 1 . 2]" 1
132 1 17 GLU QB 1 18 ALA H 3.220 . 3.220 2.351 1.694 3.157 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLU QB 1 19 VAL H 5.130 . 5.130 4.332 3.931 4.602 . 0 0 "[ . 1 . 2]" 1
134 1 17 GLU QB 1 35 PHE QD 3.740 . 3.740 2.824 1.993 3.654 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLU HB2 1 35 PHE QE 4.840 . 4.840 4.428 3.188 4.918 0.078 19 0 "[ . 1 . 2]" 1
136 1 17 GLU HB3 1 35 PHE QE 4.840 . 4.840 4.002 3.002 4.951 0.111 10 0 "[ . 1 . 2]" 1
137 1 17 GLU QG 1 18 ALA H 4.340 . 4.340 3.622 2.702 4.074 . 0 0 "[ . 1 . 2]" 1
138 1 18 ALA H 1 18 ALA MB 2.950 . 2.950 2.906 2.730 2.993 0.043 15 0 "[ . 1 . 2]" 1
139 1 18 ALA H 1 19 VAL H 3.220 . 3.220 2.848 2.603 3.159 . 0 0 "[ . 1 . 2]" 1
140 1 18 ALA HA 1 19 VAL HA 5.410 . 5.410 4.445 4.292 4.568 . 0 0 "[ . 1 . 2]" 1
141 1 18 ALA HA 1 19 VAL QG 5.440 . 5.440 4.541 4.260 4.770 . 0 0 "[ . 1 . 2]" 1
142 1 18 ALA HA 1 21 CYS QB 3.940 . 3.940 2.738 2.015 3.993 0.053 14 0 "[ . 1 . 2]" 1
143 1 18 ALA HA 1 35 PHE QD 4.930 . 4.930 3.529 2.134 5.055 0.125 10 0 "[ . 1 . 2]" 1
144 1 18 ALA MB 1 19 VAL H 3.440 . 3.440 3.357 3.297 3.441 0.001 15 0 "[ . 1 . 2]" 1
145 1 18 ALA MB 1 19 VAL HA 4.380 . 4.380 4.202 4.134 4.330 . 0 0 "[ . 1 . 2]" 1
146 1 18 ALA MB 1 21 CYS H 4.910 . 4.910 4.622 4.192 4.924 0.014 20 0 "[ . 1 . 2]" 1
147 1 18 ALA MB 1 21 CYS QB 5.080 . 5.080 4.066 3.183 4.994 . 0 0 "[ . 1 . 2]" 1
148 1 18 ALA MB 1 22 PHE H 5.500 . 5.500 4.902 4.111 5.491 . 0 0 "[ . 1 . 2]" 1
149 1 18 ALA MB 1 22 PHE QD 4.780 . 4.780 4.039 3.359 4.297 . 0 0 "[ . 1 . 2]" 1
150 1 18 ALA MB 1 22 PHE QE 5.500 . 5.500 5.445 4.694 5.584 0.084 6 0 "[ . 1 . 2]" 1
151 1 18 ALA MB 1 35 PHE QD 5.500 . 5.500 4.122 3.262 5.109 . 0 0 "[ . 1 . 2]" 1
152 1 18 ALA MB 1 35 PHE QE 5.500 . 5.500 5.097 4.353 5.570 0.070 5 0 "[ . 1 . 2]" 1
153 1 19 VAL H 1 19 VAL HB 3.700 . 3.700 2.853 2.480 3.762 0.062 1 0 "[ . 1 . 2]" 1
154 1 19 VAL H 1 19 VAL MG1 3.770 . 3.770 3.029 1.994 3.819 0.049 16 0 "[ . 1 . 2]" 1
155 1 19 VAL H 1 19 VAL QG 2.950 . 2.950 2.239 1.925 2.638 . 0 0 "[ . 1 . 2]" 1
156 1 19 VAL H 1 19 VAL MG2 3.770 . 3.770 2.882 1.963 3.856 0.086 15 0 "[ . 1 . 2]" 1
157 1 19 VAL H 1 20 ARG HB2 5.070 . 5.070 3.775 3.575 4.068 . 0 0 "[ . 1 . 2]" 1
158 1 19 VAL H 1 20 ARG HB3 5.480 . 5.480 5.274 5.119 5.421 . 0 0 "[ . 1 . 2]" 1
159 1 19 VAL H 1 20 ARG HG2 5.500 . 5.500 4.011 2.886 4.633 . 0 0 "[ . 1 . 2]" 1
160 1 19 VAL H 1 20 ARG HG3 5.500 . 5.500 5.228 4.542 5.547 0.047 18 0 "[ . 1 . 2]" 1
161 1 19 VAL H 1 21 CYS H 5.000 . 5.000 3.328 2.940 3.919 . 0 0 "[ . 1 . 2]" 1
162 1 19 VAL H 1 22 PHE QB 5.260 . 5.260 4.180 4.036 4.466 . 0 0 "[ . 1 . 2]" 1
163 1 19 VAL HA 1 19 VAL MG1 3.280 . 3.280 2.679 2.277 3.246 . 0 0 "[ . 1 . 2]" 1
164 1 19 VAL HA 1 19 VAL QG 2.800 . 2.800 2.221 2.093 2.343 . 0 0 "[ . 1 . 2]" 1
165 1 19 VAL HA 1 19 VAL MG2 3.280 . 3.280 2.521 2.273 3.230 . 0 0 "[ . 1 . 2]" 1
166 1 19 VAL HA 1 21 CYS H 5.400 . 5.400 3.728 3.294 4.073 . 0 0 "[ . 1 . 2]" 1
167 1 19 VAL HA 1 22 PHE H 3.880 . 3.880 2.998 2.409 3.374 . 0 0 "[ . 1 . 2]" 1
168 1 19 VAL HA 1 22 PHE HA 5.500 . 5.500 4.464 4.085 4.968 . 0 0 "[ . 1 . 2]" 1
169 1 19 VAL HA 1 22 PHE QB 3.190 . 3.190 2.010 1.784 2.400 . 0 0 "[ . 1 . 2]" 1
170 1 19 VAL HA 1 22 PHE QD 4.510 . 4.510 3.689 3.216 4.186 . 0 0 "[ . 1 . 2]" 1
171 1 19 VAL HA 1 23 ILE H 5.500 . 5.500 4.210 3.584 5.081 . 0 0 "[ . 1 . 2]" 1
172 1 19 VAL HB 1 20 ARG H 4.140 . 4.140 3.154 2.192 4.144 0.004 11 0 "[ . 1 . 2]" 1
173 1 19 VAL QG 1 20 ARG H 3.620 . 3.620 2.680 2.072 3.349 . 0 0 "[ . 1 . 2]" 1
174 1 19 VAL QG 1 20 ARG HA 4.040 . 4.040 3.462 3.058 3.859 . 0 0 "[ . 1 . 2]" 1
175 1 19 VAL QG 1 20 ARG HB3 5.440 . 5.440 4.939 4.458 5.480 0.040 20 0 "[ . 1 . 2]" 1
176 1 19 VAL QG 1 20 ARG HG2 4.180 . 4.180 3.283 2.441 4.116 . 0 0 "[ . 1 . 2]" 1
177 1 19 VAL QG 1 21 CYS H 4.830 . 4.830 4.129 3.800 4.562 . 0 0 "[ . 1 . 2]" 1
178 1 19 VAL QG 1 22 PHE H 5.440 . 5.440 4.016 3.799 4.381 . 0 0 "[ . 1 . 2]" 1
179 1 19 VAL QG 1 22 PHE QD 4.640 . 4.640 3.937 3.496 4.343 . 0 0 "[ . 1 . 2]" 1
180 1 19 VAL QG 1 22 PHE QE 5.360 . 5.360 5.032 4.618 5.402 0.042 5 0 "[ . 1 . 2]" 1
181 1 19 VAL MG1 1 20 ARG H 4.160 . 4.160 3.078 2.086 3.964 . 0 0 "[ . 1 . 2]" 1
182 1 19 VAL MG1 1 21 CYS H 5.500 . 5.500 4.580 4.118 5.213 . 0 0 "[ . 1 . 2]" 1
183 1 19 VAL MG1 1 22 PHE QD 5.500 . 5.500 4.792 3.777 5.622 0.122 13 0 "[ . 1 . 2]" 1
184 1 19 VAL MG2 1 20 ARG H 4.160 . 4.160 3.459 2.126 3.945 . 0 0 "[ . 1 . 2]" 1
185 1 19 VAL MG2 1 21 CYS H 5.500 . 5.500 4.765 4.014 5.323 . 0 0 "[ . 1 . 2]" 1
186 1 19 VAL MG2 1 22 PHE QD 5.500 . 5.500 4.531 3.535 5.605 0.105 1 0 "[ . 1 . 2]" 1
187 1 20 ARG H 1 20 ARG HB2 3.350 . 3.350 2.276 2.052 2.523 . 0 0 "[ . 1 . 2]" 1
188 1 20 ARG H 1 20 ARG HB3 3.560 . 3.560 3.523 3.433 3.569 0.009 4 0 "[ . 1 . 2]" 1
189 1 20 ARG H 1 20 ARG HG2 3.690 . 3.690 2.468 1.939 2.907 . 0 0 "[ . 1 . 2]" 1
190 1 20 ARG H 1 20 ARG HG3 4.090 . 4.090 3.703 3.412 3.893 . 0 0 "[ . 1 . 2]" 1
191 1 20 ARG H 1 21 CYS H 3.410 . 3.410 2.611 2.268 2.840 . 0 0 "[ . 1 . 2]" 1
192 1 20 ARG H 1 22 PHE QB 5.500 . 5.500 4.472 4.064 4.799 . 0 0 "[ . 1 . 2]" 1
193 1 20 ARG HA 1 20 ARG HG2 3.820 . 3.820 2.936 2.630 3.211 . 0 0 "[ . 1 . 2]" 1
194 1 20 ARG HA 1 20 ARG HG3 3.910 . 3.910 3.729 3.636 3.857 . 0 0 "[ . 1 . 2]" 1
195 1 20 ARG HA 1 21 CYS H 3.570 . 3.570 3.396 3.239 3.522 . 0 0 "[ . 1 . 2]" 1
196 1 20 ARG HB2 1 21 CYS H 3.800 . 3.800 3.036 2.673 3.438 . 0 0 "[ . 1 . 2]" 1
197 1 20 ARG HB3 1 21 CYS H 3.880 . 3.880 3.804 3.550 3.959 0.079 18 0 "[ . 1 . 2]" 1
198 1 20 ARG HB3 1 33 TYR QD 4.000 . 4.000 3.663 3.324 4.008 0.008 11 0 "[ . 1 . 2]" 1
199 1 20 ARG HB3 1 33 TYR QE 3.980 . 3.980 3.365 2.839 3.738 . 0 0 "[ . 1 . 2]" 1
200 1 20 ARG HB3 1 35 PHE QE 5.500 . 5.500 3.159 2.505 3.553 . 0 0 "[ . 1 . 2]" 1
201 1 20 ARG HG2 1 21 CYS H 5.110 . 5.110 4.598 4.058 4.882 . 0 0 "[ . 1 . 2]" 1
202 1 20 ARG HG3 1 33 TYR QD 5.500 . 5.500 4.770 4.126 5.224 . 0 0 "[ . 1 . 2]" 1
203 1 20 ARG HG3 1 33 TYR QE 4.810 . 4.810 4.660 4.180 4.862 0.052 16 0 "[ . 1 . 2]" 1
204 1 20 ARG HG3 1 35 PHE QE 5.010 . 5.010 3.639 2.634 4.453 . 0 0 "[ . 1 . 2]" 1
205 1 21 CYS H 1 21 CYS QB 2.870 . 2.870 2.373 2.220 2.620 . 0 0 "[ . 1 . 2]" 1
206 1 21 CYS H 1 22 PHE H 3.740 . 3.740 2.081 1.939 2.290 . 0 0 "[ . 1 . 2]" 1
207 1 21 CYS H 1 22 PHE QB 4.740 . 4.740 3.673 3.545 3.900 . 0 0 "[ . 1 . 2]" 1
208 1 21 CYS H 1 22 PHE QD 5.500 . 5.500 5.517 5.375 5.562 0.062 10 0 "[ . 1 . 2]" 1
209 1 21 CYS H 1 24 GLU HG2 4.640 . 4.640 4.641 4.303 4.752 0.112 15 0 "[ . 1 . 2]" 1
210 1 21 CYS H 1 35 PHE QE 5.420 . 5.420 3.511 2.837 4.297 . 0 0 "[ . 1 . 2]" 1
211 1 21 CYS HA 1 24 GLU H 4.320 . 4.320 3.774 3.131 4.288 . 0 0 "[ . 1 . 2]" 1
212 1 21 CYS HA 1 24 GLU QB 3.760 . 3.760 2.653 2.237 3.083 . 0 0 "[ . 1 . 2]" 1
213 1 21 CYS HA 1 24 GLU HG2 3.540 . 3.540 3.090 2.262 3.582 0.042 9 0 "[ . 1 . 2]" 1
214 1 21 CYS HA 1 24 GLU HG3 3.890 . 3.890 3.052 2.111 3.879 . 0 0 "[ . 1 . 2]" 1
215 1 21 CYS HA 1 25 CYS H 4.430 . 4.430 3.923 3.738 4.107 . 0 0 "[ . 1 . 2]" 1
216 1 21 CYS HA 1 36 CYS QB 4.910 . 4.910 3.759 3.132 4.668 . 0 0 "[ . 1 . 2]" 1
217 1 21 CYS QB 1 22 PHE H 3.740 . 3.740 3.176 2.644 3.798 0.058 11 0 "[ . 1 . 2]" 1
218 1 21 CYS QB 1 33 TYR H 5.200 . 5.200 4.804 3.828 5.253 0.053 8 0 "[ . 1 . 2]" 1
219 1 21 CYS QB 1 36 CYS HA 3.760 . 3.760 2.731 2.154 3.790 0.030 11 0 "[ . 1 . 2]" 1
220 1 21 CYS QB 1 36 CYS HB2 3.670 . 3.670 2.086 1.849 2.270 . 0 0 "[ . 1 . 2]" 1
221 1 21 CYS QB 1 36 CYS HB3 3.670 . 3.670 3.597 3.390 3.703 0.033 6 0 "[ . 1 . 2]" 1
222 1 21 CYS QB 1 37 HIS H 4.830 . 4.830 4.080 3.179 4.967 0.137 11 0 "[ . 1 . 2]" 1
223 1 21 CYS QB 1 38 CYS H 5.500 . 5.500 4.701 4.077 5.558 0.058 8 0 "[ . 1 . 2]" 1
224 1 22 PHE H 1 22 PHE QB 2.760 . 2.760 2.176 2.030 2.311 . 0 0 "[ . 1 . 2]" 1
225 1 22 PHE H 1 22 PHE QD 4.260 . 4.260 4.086 3.904 4.184 . 0 0 "[ . 1 . 2]" 1
226 1 22 PHE H 1 23 ILE H 3.680 . 3.680 2.827 2.641 3.142 . 0 0 "[ . 1 . 2]" 1
227 1 22 PHE HA 1 22 PHE QD 3.520 . 3.520 2.922 2.686 3.110 . 0 0 "[ . 1 . 2]" 1
228 1 22 PHE HA 1 22 PHE QE 4.790 . 4.790 4.601 4.452 4.704 . 0 0 "[ . 1 . 2]" 1
229 1 22 PHE HA 1 25 CYS H 4.490 . 4.490 3.747 3.576 3.989 . 0 0 "[ . 1 . 2]" 1
230 1 22 PHE HA 1 25 CYS HB2 4.420 . 4.420 3.977 3.408 4.434 0.014 10 0 "[ . 1 . 2]" 1
231 1 22 PHE HA 1 25 CYS HB3 3.740 . 3.740 3.169 2.749 3.562 . 0 0 "[ . 1 . 2]" 1
232 1 22 PHE HA 1 26 LEU H 5.150 . 5.150 4.473 4.083 4.871 . 0 0 "[ . 1 . 2]" 1
233 1 22 PHE QB 1 23 ILE H 3.300 . 3.300 2.106 1.906 2.432 . 0 0 "[ . 1 . 2]" 1
234 1 22 PHE QB 1 23 ILE HA 4.580 . 4.580 3.984 3.810 4.154 . 0 0 "[ . 1 . 2]" 1
235 1 22 PHE QB 1 26 LEU H 5.500 . 5.500 5.458 5.217 5.611 0.111 7 0 "[ . 1 . 2]" 1
236 1 22 PHE QD 1 23 ILE H 4.950 . 4.950 3.145 2.929 3.404 . 0 0 "[ . 1 . 2]" 1
237 1 22 PHE QD 1 23 ILE HA 4.240 . 4.240 3.039 2.695 3.287 . 0 0 "[ . 1 . 2]" 1
238 1 22 PHE QD 1 23 ILE HB 4.850 . 4.850 4.704 4.481 4.877 0.027 17 0 "[ . 1 . 2]" 1
239 1 22 PHE QD 1 23 ILE MD 3.790 . 3.790 2.178 1.957 2.943 . 0 0 "[ . 1 . 2]" 1
240 1 22 PHE QD 1 23 ILE QG 3.580 . 3.580 2.799 2.448 3.483 . 0 0 "[ . 1 . 2]" 1
241 1 22 PHE QD 1 23 ILE MG 4.390 . 4.390 4.368 4.317 4.421 0.031 1 0 "[ . 1 . 2]" 1
242 1 22 PHE QD 1 25 CYS HB3 5.500 . 5.500 5.147 4.883 5.518 0.018 8 0 "[ . 1 . 2]" 1
243 1 22 PHE QD 1 26 LEU QD 3.960 . 3.960 3.210 2.481 3.967 0.007 1 0 "[ . 1 . 2]" 1
244 1 22 PHE QE 1 23 ILE HA 5.490 . 5.490 4.620 4.305 4.819 . 0 0 "[ . 1 . 2]" 1
245 1 22 PHE QE 1 23 ILE MD 5.450 . 5.450 3.591 2.920 4.709 . 0 0 "[ . 1 . 2]" 1
246 1 22 PHE QE 1 23 ILE QG 5.310 . 5.310 4.513 3.815 5.098 . 0 0 "[ . 1 . 2]" 1
247 1 22 PHE QE 1 23 ILE MG 5.500 . 5.500 5.489 5.290 5.555 0.055 9 0 "[ . 1 . 2]" 1
248 1 22 PHE QE 1 26 LEU QD 3.600 . 3.600 2.998 2.210 3.634 0.034 13 0 "[ . 1 . 2]" 1
249 1 23 ILE H 1 23 ILE HB 3.120 . 3.120 2.580 2.466 2.671 . 0 0 "[ . 1 . 2]" 1
250 1 23 ILE H 1 23 ILE MD 3.570 . 3.570 2.599 1.642 3.407 . 0 0 "[ . 1 . 2]" 1
251 1 23 ILE H 1 23 ILE QG 3.430 . 3.430 2.466 1.912 3.227 . 0 0 "[ . 1 . 2]" 1
252 1 23 ILE H 1 23 ILE MG 3.990 . 3.990 3.783 3.727 3.830 . 0 0 "[ . 1 . 2]" 1
253 1 23 ILE H 1 24 GLU H 3.870 . 3.870 2.467 2.228 2.647 . 0 0 "[ . 1 . 2]" 1
254 1 23 ILE H 1 24 GLU HG2 5.500 . 5.500 3.657 3.303 3.993 . 0 0 "[ . 1 . 2]" 1
255 1 23 ILE H 1 25 CYS H 5.000 . 5.000 4.117 3.970 4.275 . 0 0 "[ . 1 . 2]" 1
256 1 23 ILE HA 1 23 ILE MD 3.650 . 3.650 2.546 2.048 3.396 . 0 0 "[ . 1 . 2]" 1
257 1 23 ILE HA 1 23 ILE QG 3.870 . 3.870 2.763 2.384 3.027 . 0 0 "[ . 1 . 2]" 1
258 1 23 ILE HA 1 23 ILE MG 3.510 . 3.510 2.409 2.351 2.494 . 0 0 "[ . 1 . 2]" 1
259 1 23 ILE HA 1 25 CYS H 5.050 . 5.050 4.337 3.987 4.625 . 0 0 "[ . 1 . 2]" 1
260 1 23 ILE HA 1 26 LEU H 4.080 . 4.080 3.309 2.843 3.613 . 0 0 "[ . 1 . 2]" 1
261 1 23 ILE HA 1 26 LEU QB 3.230 . 3.230 2.570 2.055 3.031 . 0 0 "[ . 1 . 2]" 1
262 1 23 ILE HA 1 26 LEU QD 3.670 . 3.670 2.614 1.966 3.251 . 0 0 "[ . 1 . 2]" 1
263 1 23 ILE HB 1 23 ILE MD 3.400 . 3.400 2.904 2.330 3.260 . 0 0 "[ . 1 . 2]" 1
264 1 23 ILE HB 1 24 GLU H 3.300 . 3.300 2.867 2.639 3.133 . 0 0 "[ . 1 . 2]" 1
265 1 23 ILE HB 1 25 CYS H 5.500 . 5.500 5.187 5.026 5.362 . 0 0 "[ . 1 . 2]" 1
266 1 23 ILE MD 1 23 ILE MG 3.350 . 3.350 2.474 1.947 3.223 . 0 0 "[ . 1 . 2]" 1
267 1 23 ILE MD 1 26 LEU H 5.500 . 5.500 5.173 4.689 5.544 0.044 5 0 "[ . 1 . 2]" 1
268 1 23 ILE QG 1 23 ILE MG 2.630 . 2.630 2.202 2.024 2.320 . 0 0 "[ . 1 . 2]" 1
269 1 23 ILE QG 1 24 GLU H 4.330 . 4.330 4.167 3.899 4.435 0.105 5 0 "[ . 1 . 2]" 1
270 1 23 ILE MG 1 24 GLU H 4.860 . 4.860 3.691 3.493 3.850 . 0 0 "[ . 1 . 2]" 1
271 1 24 GLU H 1 24 GLU QB 3.910 . 3.910 2.583 2.480 2.789 . 0 0 "[ . 1 . 2]" 1
272 1 24 GLU H 1 24 GLU HG2 2.980 . 2.980 1.959 1.829 2.130 . 0 0 "[ . 1 . 2]" 1
273 1 24 GLU H 1 24 GLU HG3 3.720 . 3.720 3.506 3.398 3.699 . 0 0 "[ . 1 . 2]" 1
274 1 24 GLU H 1 25 CYS H 3.340 . 3.340 2.512 2.171 2.809 . 0 0 "[ . 1 . 2]" 1
275 1 24 GLU H 1 25 CYS HB3 4.920 . 4.920 4.745 4.302 4.923 0.003 2 0 "[ . 1 . 2]" 1
276 1 24 GLU H 1 26 LEU H 4.920 . 4.920 3.803 3.446 3.998 . 0 0 "[ . 1 . 2]" 1
277 1 24 GLU HA 1 24 GLU HG2 3.660 . 3.660 3.241 3.094 3.467 . 0 0 "[ . 1 . 2]" 1
278 1 24 GLU HA 1 24 GLU HG3 3.860 . 3.860 3.811 3.749 3.910 0.050 10 0 "[ . 1 . 2]" 1
279 1 24 GLU HA 1 26 LEU H 5.110 . 5.110 4.186 3.956 4.435 . 0 0 "[ . 1 . 2]" 1
280 1 24 GLU QB 1 24 GLU HG2 2.750 . 2.750 2.289 2.212 2.347 . 0 0 "[ . 1 . 2]" 1
281 1 24 GLU QB 1 25 CYS H 3.410 . 3.410 2.430 2.124 2.649 . 0 0 "[ . 1 . 2]" 1
282 1 24 GLU QB 1 33 TYR QD 4.780 . 4.780 4.107 3.762 4.527 . 0 0 "[ . 1 . 2]" 1
283 1 24 GLU QB 1 33 TYR QE 4.850 . 4.850 2.915 2.577 3.245 . 0 0 "[ . 1 . 2]" 1
284 1 24 GLU HG2 1 25 CYS H 3.750 . 3.750 3.793 3.396 3.844 0.094 19 0 "[ . 1 . 2]" 1
285 1 24 GLU HG2 1 33 TYR QD 5.500 . 5.500 5.300 5.026 5.534 0.034 11 0 "[ . 1 . 2]" 1
286 1 24 GLU HG2 1 33 TYR QE 4.790 . 4.790 3.792 3.033 4.262 . 0 0 "[ . 1 . 2]" 1
287 1 24 GLU HG3 1 25 CYS H 4.800 . 4.800 4.640 4.214 4.808 0.008 2 0 "[ . 1 . 2]" 1
288 1 24 GLU HG3 1 29 ILE MD 4.490 . 4.490 3.896 3.114 4.412 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLU HG3 1 33 TYR QD 4.920 . 4.920 4.146 3.693 4.810 . 0 0 "[ . 1 . 2]" 1
290 1 24 GLU HG3 1 33 TYR QE 4.440 . 4.440 2.305 1.854 2.789 . 0 0 "[ . 1 . 2]" 1
291 1 25 CYS H 1 25 CYS HB2 3.440 . 3.440 2.546 2.391 2.684 . 0 0 "[ . 1 . 2]" 1
292 1 25 CYS H 1 25 CYS HB3 3.100 . 3.100 2.557 2.340 2.686 . 0 0 "[ . 1 . 2]" 1
293 1 25 CYS H 1 26 LEU H 3.460 . 3.460 2.558 2.453 2.670 . 0 0 "[ . 1 . 2]" 1
294 1 25 CYS H 1 26 LEU HA 5.500 . 5.500 5.177 5.095 5.266 . 0 0 "[ . 1 . 2]" 1
295 1 25 CYS H 1 26 LEU QB 4.570 . 4.570 4.407 4.094 4.614 0.044 9 0 "[ . 1 . 2]" 1
296 1 25 CYS H 1 27 LYS H 5.260 . 5.260 3.959 3.818 4.306 . 0 0 "[ . 1 . 2]" 1
297 1 25 CYS H 1 29 ILE MD 4.710 . 4.710 3.814 2.995 4.406 . 0 0 "[ . 1 . 2]" 1
298 1 25 CYS HA 1 26 LEU HA 5.150 . 5.150 4.760 4.612 4.874 . 0 0 "[ . 1 . 2]" 1
299 1 25 CYS HA 1 27 LYS H 4.230 . 4.230 3.742 3.175 4.096 . 0 0 "[ . 1 . 2]" 1
300 1 25 CYS HB2 1 26 LEU H 4.240 . 4.240 3.994 3.825 4.195 . 0 0 "[ . 1 . 2]" 1
301 1 25 CYS HB2 1 27 LYS H 5.500 . 5.500 5.481 5.278 5.568 0.068 9 0 "[ . 1 . 2]" 1
302 1 25 CYS HB2 1 38 CYS QB 3.450 . 3.450 2.414 2.115 2.820 . 0 0 "[ . 1 . 2]" 1
303 1 25 CYS HB3 1 26 LEU H 3.640 . 3.640 2.885 2.599 3.320 . 0 0 "[ . 1 . 2]" 1
304 1 25 CYS HB3 1 26 LEU HA 4.960 . 4.960 4.397 4.176 4.586 . 0 0 "[ . 1 . 2]" 1
305 1 25 CYS HB3 1 27 LYS H 5.120 . 5.120 4.947 4.795 5.091 . 0 0 "[ . 1 . 2]" 1
306 1 25 CYS HB3 1 38 CYS HA 5.500 . 5.500 5.315 4.003 5.592 0.092 7 0 "[ . 1 . 2]" 1
307 1 25 CYS HB3 1 38 CYS QB 4.080 . 4.080 3.406 2.801 4.103 0.023 4 0 "[ . 1 . 2]" 1
308 1 26 LEU H 1 26 LEU QB 2.760 . 2.760 2.283 2.148 2.475 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU H 1 26 LEU QD 4.110 . 4.110 3.067 2.211 3.730 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU H 1 27 LYS H 3.540 . 3.540 2.580 2.411 2.796 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU HA 1 26 LEU QD 3.100 . 3.100 2.117 1.910 2.957 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU QB 1 26 LEU QD 2.630 . 2.630 1.982 1.919 2.083 . 0 0 "[ . 1 . 2]" 1
313 1 26 LEU QB 1 27 LYS H 3.820 . 3.820 2.945 2.554 3.286 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU QB 1 27 LYS HA 4.660 . 4.660 4.207 3.940 4.682 0.022 14 0 "[ . 1 . 2]" 1
315 1 26 LEU QD 1 27 LYS H 4.500 . 4.500 4.086 3.484 4.350 . 0 0 "[ . 1 . 2]" 1
316 1 27 LYS H 1 27 LYS QB 3.650 . 3.650 2.521 2.303 3.386 . 0 0 "[ . 1 . 2]" 1
317 1 27 LYS H 1 27 LYS QD 4.460 . 4.460 3.763 2.780 4.372 . 0 0 "[ . 1 . 2]" 1
318 1 27 LYS H 1 27 LYS QG 3.410 . 3.410 2.472 2.177 3.000 . 0 0 "[ . 1 . 2]" 1
319 1 27 LYS HA 1 27 LYS QD 4.910 . 4.910 3.597 2.093 4.313 . 0 0 "[ . 1 . 2]" 1
320 1 27 LYS HA 1 27 LYS QG 3.400 . 3.400 2.728 2.421 3.420 0.020 14 0 "[ . 1 . 2]" 1
321 1 27 LYS QB 1 28 GLY H 3.860 . 3.860 2.378 2.052 3.856 . 0 0 "[ . 1 . 2]" 1
322 1 27 LYS QB 1 29 ILE H 5.140 . 5.140 4.626 3.370 5.233 0.093 9 0 "[ . 1 . 2]" 1
323 1 27 LYS HB2 1 28 GLY H 4.430 . 4.430 2.509 2.069 4.222 . 0 0 "[ . 1 . 2]" 1
324 1 27 LYS HB3 1 28 GLY H 4.430 . 4.430 3.411 2.155 4.457 0.027 14 0 "[ . 1 . 2]" 1
325 1 27 LYS QD 1 28 GLY H 4.940 . 4.940 4.445 3.460 4.972 0.032 9 0 "[ . 1 . 2]" 1
326 1 28 GLY H 1 29 ILE MG 4.890 . 4.890 3.317 2.800 4.910 0.020 14 0 "[ . 1 . 2]" 1
327 1 28 GLY QA 1 29 ILE H 3.070 . 3.070 2.330 2.067 2.998 . 0 0 "[ . 1 . 2]" 1
328 1 28 GLY QA 1 30 GLY H 4.810 . 4.810 4.788 4.632 4.889 0.079 10 0 "[ . 1 . 2]" 1
329 1 28 GLY HA2 1 30 GLY H 5.500 . 5.500 5.210 4.955 5.398 . 0 0 "[ . 1 . 2]" 1
330 1 28 GLY HA3 1 30 GLY H 5.500 . 5.500 5.590 5.511 5.677 0.177 1 0 "[ . 1 . 2]" 1
331 1 29 ILE H 1 29 ILE HB 3.880 . 3.880 3.838 3.794 3.905 0.025 11 0 "[ . 1 . 2]" 1
332 1 29 ILE H 1 29 ILE MD 3.690 . 3.690 3.298 2.940 3.594 . 0 0 "[ . 1 . 2]" 1
333 1 29 ILE H 1 29 ILE QG 3.700 . 3.700 2.427 2.300 2.584 . 0 0 "[ . 1 . 2]" 1
334 1 29 ILE H 1 29 ILE MG 3.220 . 3.220 3.167 2.910 3.283 0.063 15 0 "[ . 1 . 2]" 1
335 1 29 ILE H 1 30 GLY H 3.550 . 3.550 3.746 3.696 3.820 0.270 14 0 "[ . 1 . 2]" 1
336 1 29 ILE H 1 30 GLY QA 5.340 . 5.340 4.238 4.074 4.522 . 0 0 "[ . 1 . 2]" 1
337 1 29 ILE HA 1 29 ILE MD 3.900 . 3.900 3.679 3.624 3.753 . 0 0 "[ . 1 . 2]" 1
338 1 29 ILE HA 1 30 GLY H 3.520 . 3.520 1.832 1.710 1.910 . 0 0 "[ . 1 . 2]" 1
339 1 29 ILE HA 1 30 GLY QA 4.870 . 4.870 3.767 3.723 3.815 . 0 0 "[ . 1 . 2]" 1
340 1 29 ILE HB 1 29 ILE MD 2.810 . 2.810 2.318 2.253 2.359 . 0 0 "[ . 1 . 2]" 1
341 1 29 ILE HB 1 30 GLY H 4.330 . 4.330 3.189 2.943 3.453 . 0 0 "[ . 1 . 2]" 1
342 1 29 ILE HB 1 33 TYR QE 5.500 . 5.500 5.136 4.253 5.587 0.087 20 0 "[ . 1 . 2]" 1
343 1 29 ILE MD 1 29 ILE MG 3.170 . 3.170 3.155 3.077 3.196 0.026 8 0 "[ . 1 . 2]" 1
344 1 29 ILE MD 1 30 GLY H 3.760 . 3.760 3.792 3.671 3.890 0.130 20 0 "[ . 1 . 2]" 1
345 1 29 ILE MD 1 30 GLY QA 4.220 . 4.220 3.529 3.211 3.759 . 0 0 "[ . 1 . 2]" 1
346 1 29 ILE MD 1 31 HIS H 4.610 . 4.610 3.541 2.319 4.709 0.099 17 0 "[ . 1 . 2]" 1
347 1 29 ILE MD 1 33 TYR QD 4.200 . 4.200 2.970 2.426 3.792 . 0 0 "[ . 1 . 2]" 1
348 1 29 ILE MD 1 33 TYR QE 3.880 . 3.880 3.098 2.204 3.886 0.006 5 0 "[ . 1 . 2]" 1
349 1 29 ILE QG 1 29 ILE MG 2.800 . 2.800 2.053 2.027 2.094 . 0 0 "[ . 1 . 2]" 1
350 1 29 ILE QG 1 30 GLY H 4.740 . 4.740 4.461 4.338 4.556 . 0 0 "[ . 1 . 2]" 1
351 1 29 ILE MG 1 30 GLY H 4.970 . 4.970 3.757 3.583 4.008 . 0 0 "[ . 1 . 2]" 1
352 1 29 ILE MG 1 33 TYR QE 5.500 . 5.500 4.620 3.400 5.489 . 0 0 "[ . 1 . 2]" 1
353 1 30 GLY QA 1 31 HIS QB 4.870 . 4.870 3.770 3.551 4.264 . 0 0 "[ . 1 . 2]" 1
354 1 30 GLY QA 1 32 LYS H 5.340 . 5.340 4.619 3.450 5.121 . 0 0 "[ . 1 . 2]" 1
355 1 31 HIS H 1 31 HIS QB 3.060 . 3.060 2.852 2.313 3.202 0.142 2 0 "[ . 1 . 2]" 1
356 1 31 HIS H 1 31 HIS HD2 5.250 . 5.250 4.393 2.401 5.109 . 0 0 "[ . 1 . 2]" 1
357 1 31 HIS H 1 32 LYS H 4.170 . 4.170 3.606 2.711 4.190 0.020 16 0 "[ . 1 . 2]" 1
358 1 31 HIS H 1 32 LYS QB 5.120 . 5.120 4.923 4.472 5.161 0.041 7 0 "[ . 1 . 2]" 1
359 1 31 HIS HA 1 31 HIS HD2 5.150 . 5.150 3.181 2.272 4.607 . 0 0 "[ . 1 . 2]" 1
360 1 31 HIS HA 1 32 LYS H 3.290 . 3.290 2.451 2.160 3.411 0.121 18 0 "[ . 1 . 2]" 1
361 1 31 HIS HA 1 33 TYR H 4.920 . 4.920 3.413 2.920 4.196 . 0 0 "[ . 1 . 2]" 1
362 1 31 HIS QB 1 31 HIS HD2 3.740 . 3.740 2.861 2.589 3.261 . 0 0 "[ . 1 . 2]" 1
363 1 31 HIS QB 1 32 LYS H 4.030 . 4.030 3.615 1.963 4.050 0.020 20 0 "[ . 1 . 2]" 1
364 1 31 HIS QB 1 32 LYS HA 4.790 . 4.790 4.437 3.906 4.795 0.005 7 0 "[ . 1 . 2]" 1
365 1 31 HIS QB 1 33 TYR H 5.500 . 5.500 4.562 3.688 5.106 . 0 0 "[ . 1 . 2]" 1
366 1 32 LYS H 1 32 LYS HG2 4.910 . 4.910 4.009 2.445 5.004 0.094 16 0 "[ . 1 . 2]" 1
367 1 32 LYS H 1 32 LYS QG 4.240 . 4.240 3.629 2.418 4.338 0.098 16 0 "[ . 1 . 2]" 1
368 1 32 LYS H 1 32 LYS HG3 4.910 . 4.910 4.369 3.032 4.756 . 0 0 "[ . 1 . 2]" 1
369 1 32 LYS HA 1 32 LYS QG 3.640 . 3.640 2.661 2.351 3.015 . 0 0 "[ . 1 . 2]" 1
370 1 32 LYS HA 1 33 TYR H 3.530 . 3.530 3.381 3.038 3.525 . 0 0 "[ . 1 . 2]" 1
371 1 32 LYS HA 1 33 TYR QD 4.830 . 4.830 4.654 4.360 4.863 0.033 5 0 "[ . 1 . 2]" 1
372 1 32 LYS HA 1 33 TYR QE 5.500 . 5.500 5.520 5.371 5.599 0.099 18 0 "[ . 1 . 2]" 1
373 1 32 LYS QB 1 33 TYR QD 3.640 . 3.640 2.415 2.096 2.787 . 0 0 "[ . 1 . 2]" 1
374 1 32 LYS QB 1 33 TYR QE 3.810 . 3.810 2.768 2.525 3.003 . 0 0 "[ . 1 . 2]" 1
375 1 32 LYS HB2 1 33 TYR QD 4.200 . 4.200 3.454 2.123 4.217 0.017 17 0 "[ . 1 . 2]" 1
376 1 32 LYS HB2 1 33 TYR QE 4.330 . 4.330 3.694 2.607 4.280 . 0 0 "[ . 1 . 2]" 1
377 1 32 LYS HB3 1 33 TYR QD 4.200 . 4.200 2.853 2.136 3.995 . 0 0 "[ . 1 . 2]" 1
378 1 32 LYS HB3 1 33 TYR QE 4.330 . 4.330 3.092 2.626 3.997 . 0 0 "[ . 1 . 2]" 1
379 1 32 LYS QG 1 33 TYR QD 4.470 . 4.470 3.841 3.044 4.540 0.070 4 0 "[ . 1 . 2]" 1
380 1 32 LYS QG 1 33 TYR QE 4.530 . 4.530 3.644 2.756 4.434 . 0 0 "[ . 1 . 2]" 1
381 1 32 LYS HG2 1 33 TYR QD 5.160 . 5.160 4.224 3.444 5.200 0.040 7 0 "[ . 1 . 2]" 1
382 1 32 LYS HG3 1 33 TYR QD 5.160 . 5.160 4.674 3.268 5.189 0.029 12 0 "[ . 1 . 2]" 1
383 1 33 TYR H 1 33 TYR HB2 4.020 . 4.020 2.724 2.447 3.003 . 0 0 "[ . 1 . 2]" 1
384 1 33 TYR H 1 33 TYR QB 3.190 . 3.190 2.665 2.410 2.915 . 0 0 "[ . 1 . 2]" 1
385 1 33 TYR H 1 33 TYR HB3 4.020 . 4.020 3.789 3.613 3.938 . 0 0 "[ . 1 . 2]" 1
386 1 33 TYR H 1 33 TYR QD 3.840 . 3.840 2.634 1.932 3.197 . 0 0 "[ . 1 . 2]" 1
387 1 33 TYR H 1 33 TYR QE 5.500 . 5.500 4.682 4.044 5.160 . 0 0 "[ . 1 . 2]" 1
388 1 33 TYR H 1 34 PRO QD 4.410 . 4.410 4.315 4.194 4.401 . 0 0 "[ . 1 . 2]" 1
389 1 33 TYR H 1 36 CYS HB2 5.500 . 5.500 3.266 2.592 4.157 . 0 0 "[ . 1 . 2]" 1
390 1 33 TYR H 1 36 CYS QB 4.690 . 4.690 2.287 1.771 3.006 . 0 0 "[ . 1 . 2]" 1
391 1 33 TYR H 1 36 CYS HB3 5.500 . 5.500 2.345 1.803 3.084 . 0 0 "[ . 1 . 2]" 1
392 1 33 TYR HA 1 33 TYR QD 3.190 . 3.190 3.154 3.065 3.228 0.038 20 0 "[ . 1 . 2]" 1
393 1 33 TYR HA 1 33 TYR QE 4.830 . 4.830 4.811 4.659 4.891 0.061 7 0 "[ . 1 . 2]" 1
394 1 33 TYR HA 1 34 PRO QD 2.830 . 2.830 2.041 1.917 2.146 . 0 0 "[ . 1 . 2]" 1
395 1 33 TYR HA 1 34 PRO HG2 4.950 . 4.950 4.337 4.217 4.586 . 0 0 "[ . 1 . 2]" 1
396 1 33 TYR HA 1 34 PRO HG3 4.950 . 4.950 4.495 4.194 4.658 . 0 0 "[ . 1 . 2]" 1
397 1 33 TYR HA 1 35 PHE H 5.500 . 5.500 4.219 3.876 4.465 . 0 0 "[ . 1 . 2]" 1
398 1 33 TYR HA 1 35 PHE QD 5.430 . 5.430 5.332 4.731 5.486 0.056 16 0 "[ . 1 . 2]" 1
399 1 33 TYR HA 1 35 PHE QE 5.370 . 5.370 4.820 4.123 5.097 . 0 0 "[ . 1 . 2]" 1
400 1 33 TYR QB 1 35 PHE H 4.550 . 4.550 2.859 2.634 3.166 . 0 0 "[ . 1 . 2]" 1
401 1 33 TYR QB 1 35 PHE QE 3.740 . 3.740 3.010 2.708 3.141 . 0 0 "[ . 1 . 2]" 1
402 1 33 TYR QB 1 36 CYS H 4.030 . 4.030 2.937 2.657 3.234 . 0 0 "[ . 1 . 2]" 1
403 1 33 TYR QB 1 36 CYS QB 3.290 . 3.290 1.820 1.749 1.910 . 0 0 "[ . 1 . 2]" 1
404 1 33 TYR HB2 1 34 PRO QD 3.680 . 3.680 3.626 3.459 3.733 0.053 10 0 "[ . 1 . 2]" 1
405 1 33 TYR HB2 1 35 PHE H 5.230 . 5.230 3.477 2.963 4.035 . 0 0 "[ . 1 . 2]" 1
406 1 33 TYR HB2 1 35 PHE QD 4.190 . 4.190 4.054 3.729 4.247 0.057 19 0 "[ . 1 . 2]" 1
407 1 33 TYR HB2 1 35 PHE QE 4.290 . 4.290 3.839 3.532 4.070 . 0 0 "[ . 1 . 2]" 1
408 1 33 TYR HB2 1 36 CYS H 4.650 . 4.650 3.050 2.806 3.352 . 0 0 "[ . 1 . 2]" 1
409 1 33 TYR HB2 1 36 CYS HB2 4.290 . 4.290 1.892 1.783 2.125 . 0 0 "[ . 1 . 2]" 1
410 1 33 TYR HB2 1 36 CYS HB3 4.290 . 4.290 2.568 1.984 2.910 . 0 0 "[ . 1 . 2]" 1
411 1 33 TYR HB3 1 34 PRO QD 3.680 . 3.680 2.306 2.105 2.427 . 0 0 "[ . 1 . 2]" 1
412 1 33 TYR HB3 1 35 PHE H 5.230 . 5.230 3.057 2.823 3.404 . 0 0 "[ . 1 . 2]" 1
413 1 33 TYR HB3 1 35 PHE QD 4.190 . 4.190 3.754 3.333 3.943 . 0 0 "[ . 1 . 2]" 1
414 1 33 TYR HB3 1 35 PHE QE 4.290 . 4.290 3.153 2.751 3.279 . 0 0 "[ . 1 . 2]" 1
415 1 33 TYR HB3 1 36 CYS H 4.650 . 4.650 3.873 3.187 4.249 . 0 0 "[ . 1 . 2]" 1
416 1 33 TYR HB3 1 36 CYS HB2 4.290 . 4.290 3.495 3.059 3.686 . 0 0 "[ . 1 . 2]" 1
417 1 33 TYR HB3 1 36 CYS HB3 4.290 . 4.290 4.140 3.661 4.365 0.075 3 0 "[ . 1 . 2]" 1
418 1 33 TYR QD 1 34 PRO QD 3.980 . 3.980 3.236 2.999 3.473 . 0 0 "[ . 1 . 2]" 1
419 1 33 TYR QD 1 34 PRO QG 5.230 . 5.230 4.648 4.319 5.249 0.019 2 0 "[ . 1 . 2]" 1
420 1 33 TYR QD 1 36 CYS H 5.500 . 5.500 4.860 4.462 5.219 . 0 0 "[ . 1 . 2]" 1
421 1 33 TYR QD 1 36 CYS HB2 4.850 . 4.850 2.848 2.013 3.533 . 0 0 "[ . 1 . 2]" 1
422 1 33 TYR QD 1 36 CYS HB3 4.850 . 4.850 3.278 2.104 3.953 . 0 0 "[ . 1 . 2]" 1
423 1 33 TYR QE 1 34 PRO QD 5.500 . 5.500 5.203 4.893 5.439 . 0 0 "[ . 1 . 2]" 1
424 1 33 TYR QE 1 36 CYS QB 4.870 . 4.870 4.536 3.957 4.924 0.054 12 0 "[ . 1 . 2]" 1
425 1 34 PRO HA 1 35 PHE HA 5.130 . 5.130 4.664 4.595 4.717 . 0 0 "[ . 1 . 2]" 1
426 1 34 PRO HA 1 36 CYS H 4.840 . 4.840 3.951 3.792 4.169 . 0 0 "[ . 1 . 2]" 1
427 1 34 PRO HB2 1 35 PHE QD 4.590 . 4.590 3.124 2.339 3.596 . 0 0 "[ . 1 . 2]" 1
428 1 34 PRO HB2 1 35 PHE QE 5.060 . 5.060 4.741 4.150 5.077 0.017 10 0 "[ . 1 . 2]" 1
429 1 34 PRO HB3 1 35 PHE H 4.500 . 4.500 4.029 3.695 4.263 . 0 0 "[ . 1 . 2]" 1
430 1 34 PRO HB3 1 35 PHE QD 5.290 . 5.290 4.512 4.040 4.852 . 0 0 "[ . 1 . 2]" 1
431 1 34 PRO HB3 1 35 PHE QE 5.500 . 5.500 5.564 5.521 5.594 0.094 5 0 "[ . 1 . 2]" 1
432 1 34 PRO QD 1 35 PHE H 4.090 . 4.090 3.051 2.612 3.266 . 0 0 "[ . 1 . 2]" 1
433 1 34 PRO QD 1 35 PHE QD 4.090 . 4.090 3.594 2.409 4.009 . 0 0 "[ . 1 . 2]" 1
434 1 34 PRO QD 1 35 PHE QE 4.660 . 4.660 3.141 2.283 3.505 . 0 0 "[ . 1 . 2]" 1
435 1 34 PRO QD 1 36 CYS H 5.500 . 5.500 4.466 4.178 4.630 . 0 0 "[ . 1 . 2]" 1
436 1 34 PRO QG 1 35 PHE H 3.850 . 3.850 2.622 2.265 3.654 . 0 0 "[ . 1 . 2]" 1
437 1 34 PRO QG 1 35 PHE QD 3.620 . 3.620 2.163 1.933 3.114 . 0 0 "[ . 1 . 2]" 1
438 1 34 PRO QG 1 35 PHE QE 3.920 . 3.920 2.736 2.596 3.628 . 0 0 "[ . 1 . 2]" 1
439 1 34 PRO HG2 1 35 PHE H 4.440 . 4.440 2.666 2.281 3.901 . 0 0 "[ . 1 . 2]" 1
440 1 34 PRO HG2 1 35 PHE QD 4.410 . 4.410 2.178 1.940 3.182 . 0 0 "[ . 1 . 2]" 1
441 1 34 PRO HG3 1 35 PHE H 4.440 . 4.440 4.077 3.838 4.406 . 0 0 "[ . 1 . 2]" 1
442 1 34 PRO HG3 1 35 PHE QD 4.410 . 4.410 3.787 3.629 4.470 0.060 4 0 "[ . 1 . 2]" 1
443 1 35 PHE H 1 35 PHE HB2 3.790 . 3.790 3.593 3.522 3.705 . 0 0 "[ . 1 . 2]" 1
444 1 35 PHE H 1 35 PHE HB3 3.790 . 3.790 2.966 2.797 3.157 . 0 0 "[ . 1 . 2]" 1
445 1 35 PHE H 1 35 PHE QD 4.080 . 4.080 2.448 1.983 2.750 . 0 0 "[ . 1 . 2]" 1
446 1 35 PHE H 1 36 CYS H 3.410 . 3.410 2.502 2.084 2.761 . 0 0 "[ . 1 . 2]" 1
447 1 35 PHE H 1 36 CYS QB 5.070 . 5.070 3.930 3.636 4.131 . 0 0 "[ . 1 . 2]" 1
448 1 35 PHE HA 1 35 PHE QD 3.740 . 3.740 3.685 3.667 3.703 . 0 0 "[ . 1 . 2]" 1
449 1 35 PHE HA 1 35 PHE QE 5.500 . 5.500 5.557 5.532 5.594 0.094 4 0 "[ . 1 . 2]" 1
450 1 35 PHE HA 1 37 HIS H 5.500 . 5.500 5.210 4.704 5.531 0.031 11 0 "[ . 1 . 2]" 1
451 1 35 PHE QB 1 36 CYS H 3.930 . 3.930 3.914 3.755 3.952 0.022 19 0 "[ . 1 . 2]" 1
452 1 35 PHE HB2 1 36 CYS H 4.500 . 4.500 4.294 4.067 4.363 . 0 0 "[ . 1 . 2]" 1
453 1 35 PHE HB3 1 36 CYS H 4.500 . 4.500 4.513 4.409 4.535 0.035 9 0 "[ . 1 . 2]" 1
454 1 35 PHE QD 1 36 CYS HA 5.090 . 5.090 3.573 2.903 4.006 . 0 0 "[ . 1 . 2]" 1
455 1 35 PHE QD 1 36 CYS HB2 5.500 . 5.500 3.976 3.116 4.675 . 0 0 "[ . 1 . 2]" 1
456 1 35 PHE QD 1 36 CYS HB3 5.500 . 5.500 5.152 4.565 5.522 0.022 2 0 "[ . 1 . 2]" 1
457 1 35 PHE QE 1 36 CYS HA 5.030 . 5.030 4.930 4.350 5.065 0.035 8 0 "[ . 1 . 2]" 1
458 1 35 PHE QE 1 36 CYS QB 5.340 . 5.340 4.133 3.373 4.644 . 0 0 "[ . 1 . 2]" 1
459 1 36 CYS H 1 36 CYS HB2 3.500 . 3.500 2.883 2.757 3.135 . 0 0 "[ . 1 . 2]" 1
460 1 36 CYS H 1 36 CYS QB 3.010 . 3.010 2.358 2.239 2.586 . 0 0 "[ . 1 . 2]" 1
461 1 36 CYS H 1 36 CYS HB3 3.500 . 3.500 2.505 2.342 2.755 . 0 0 "[ . 1 . 2]" 1
462 1 36 CYS H 1 37 HIS H 4.490 . 4.490 4.201 3.848 4.361 . 0 0 "[ . 1 . 2]" 1
463 1 36 CYS H 1 37 HIS HA 5.500 . 5.500 4.992 4.767 5.252 . 0 0 "[ . 1 . 2]" 1
464 1 36 CYS HA 1 37 HIS H 2.960 . 2.960 2.061 1.986 2.138 . 0 0 "[ . 1 . 2]" 1
465 1 36 CYS HA 1 37 HIS QB 4.580 . 4.580 4.381 4.227 4.587 0.007 5 0 "[ . 1 . 2]" 1
466 1 36 CYS HA 1 37 HIS HD2 5.500 . 5.500 4.439 3.141 5.569 0.069 8 0 "[ . 1 . 2]" 1
467 1 36 CYS HA 1 38 CYS H 4.340 . 4.340 3.652 3.041 4.405 0.065 5 0 "[ . 1 . 2]" 1
468 1 36 CYS QB 1 38 CYS H 4.560 . 4.560 4.041 3.568 4.429 . 0 0 "[ . 1 . 2]" 1
469 1 36 CYS QB 1 38 CYS QB 5.180 . 5.180 4.479 3.794 5.201 0.021 8 0 "[ . 1 . 2]" 1
470 1 36 CYS HB2 1 37 HIS H 4.480 . 4.480 4.254 4.049 4.385 . 0 0 "[ . 1 . 2]" 1
471 1 36 CYS HB2 1 38 CYS H 5.300 . 5.300 4.788 4.340 5.347 0.047 8 0 "[ . 1 . 2]" 1
472 1 36 CYS HB3 1 37 HIS H 4.480 . 4.480 4.344 4.131 4.483 0.003 3 0 "[ . 1 . 2]" 1
473 1 36 CYS HB3 1 38 CYS H 5.300 . 5.300 4.379 3.753 5.012 . 0 0 "[ . 1 . 2]" 1
474 1 37 HIS H 1 37 HIS QB 3.440 . 3.440 2.615 2.333 3.107 . 0 0 "[ . 1 . 2]" 1
475 1 37 HIS H 1 37 HIS HD2 5.270 . 5.270 3.413 2.088 4.593 . 0 0 "[ . 1 . 2]" 1
476 1 37 HIS HA 1 38 CYS H 3.480 . 3.480 2.927 2.183 3.373 . 0 0 "[ . 1 . 2]" 1
477 1 37 HIS QB 1 38 CYS H 4.190 . 4.190 3.708 3.051 3.997 . 0 0 "[ . 1 . 2]" 1
478 1 38 CYS H 1 38 CYS HB2 3.700 . 3.700 2.654 2.480 2.996 . 0 0 "[ . 1 . 2]" 1
479 1 38 CYS H 1 38 CYS QB 3.010 . 3.010 2.322 2.242 2.540 . 0 0 "[ . 1 . 2]" 1
480 1 38 CYS H 1 38 CYS HB3 3.700 . 3.700 2.576 2.476 2.765 . 0 0 "[ . 1 . 2]" 1
481 1 38 CYS HA 1 39 ARG H 3.100 . 3.100 2.399 2.041 3.363 0.263 6 0 "[ . 1 . 2]" 1
482 1 38 CYS QB 1 39 ARG H 3.850 . 3.850 3.456 1.928 3.898 0.048 11 0 "[ . 1 . 2]" 1
483 1 38 CYS HB2 1 39 ARG H 4.390 . 4.390 4.095 3.426 4.422 0.032 11 0 "[ . 1 . 2]" 1
484 1 38 CYS HB3 1 39 ARG H 4.390 . 4.390 3.774 1.939 4.363 . 0 0 "[ . 1 . 2]" 1
485 1 39 ARG H 1 39 ARG QB 3.580 . 3.580 2.873 2.418 3.451 . 0 0 "[ . 1 . 2]" 1
486 1 39 ARG H 1 39 ARG HG2 4.670 . 4.670 3.443 2.188 4.573 . 0 0 "[ . 1 . 2]" 1
487 1 39 ARG H 1 39 ARG QG 4.020 . 4.020 2.859 2.154 4.071 0.051 5 0 "[ . 1 . 2]" 1
488 1 39 ARG H 1 39 ARG HG3 4.670 . 4.670 3.425 2.571 4.712 0.042 5 0 "[ . 1 . 2]" 1
489 1 39 ARG HA 1 39 ARG QG 3.600 . 3.600 2.849 2.391 3.540 . 0 0 "[ . 1 . 2]" 1
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