NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551510 |
4a24   |
18004 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4a24
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 790
_Distance_constraint_stats_list.Viol_count 1219
_Distance_constraint_stats_list.Viol_total 1594.770
_Distance_constraint_stats_list.Viol_max 0.531
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0654
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.357 0.121 18 0 "[ . 1 . 2]"
1 3 MET 0.357 0.121 18 0 "[ . 1 . 2]"
1 4 GLU 0.455 0.121 12 0 "[ . 1 . 2]"
1 5 GLN 2.056 0.140 2 0 "[ . 1 . 2]"
1 6 SER 0.185 0.069 3 0 "[ . 1 . 2]"
1 7 CYS 3.529 0.155 12 0 "[ . 1 . 2]"
1 8 VAL 2.003 0.206 20 0 "[ . 1 . 2]"
1 9 ASN 3.026 0.206 20 0 "[ . 1 . 2]"
1 10 CYS 0.575 0.135 20 0 "[ . 1 . 2]"
1 11 GLY 2.233 0.101 20 0 "[ . 1 . 2]"
1 12 ARG 1.256 0.150 9 0 "[ . 1 . 2]"
1 13 GLU 3.795 0.471 1 0 "[ . 1 . 2]"
1 14 ALA 2.961 0.134 2 0 "[ . 1 . 2]"
1 15 MET 2.579 0.144 16 0 "[ . 1 . 2]"
1 16 SER 2.306 0.144 16 0 "[ . 1 . 2]"
1 17 GLU 0.473 0.076 11 0 "[ . 1 . 2]"
1 18 CYS 4.606 0.220 11 0 "[ . 1 . 2]"
1 19 THR 0.901 0.144 15 0 "[ . 1 . 2]"
1 20 GLY 1.713 0.144 15 0 "[ . 1 . 2]"
1 21 CYS 2.040 0.110 15 0 "[ . 1 . 2]"
1 22 HIS 0.627 0.172 13 0 "[ . 1 . 2]"
1 23 LYS 2.794 0.134 13 0 "[ . 1 . 2]"
1 24 VAL 2.129 0.110 15 0 "[ . 1 . 2]"
1 25 ASN 5.163 0.141 10 0 "[ . 1 . 2]"
1 26 TYR 3.247 0.141 10 0 "[ . 1 . 2]"
1 27 CYS 2.569 0.120 6 0 "[ . 1 . 2]"
1 28 SER 1.467 0.132 3 0 "[ . 1 . 2]"
1 29 THR 0.505 0.078 13 0 "[ . 1 . 2]"
1 30 PHE 2.183 0.132 3 0 "[ . 1 . 2]"
1 31 CYS 1.801 0.105 12 0 "[ . 1 . 2]"
1 32 GLN 6.344 0.220 11 0 "[ . 1 . 2]"
1 33 ARG 1.834 0.148 14 0 "[ . 1 . 2]"
1 34 LYS 1.984 0.135 12 0 "[ . 1 . 2]"
1 35 ASP 1.782 0.135 12 0 "[ . 1 . 2]"
1 36 TRP 3.600 0.123 15 0 "[ . 1 . 2]"
1 37 LYS 4.178 0.192 20 0 "[ . 1 . 2]"
1 38 ASP 14.131 0.531 13 1 "[ . 1 + . 2]"
1 39 HIS 21.580 0.531 13 1 "[ . 1 + . 2]"
1 40 GLN 7.514 0.192 20 0 "[ . 1 . 2]"
1 41 HIS 7.671 0.164 12 0 "[ . 1 . 2]"
1 42 ILE 17.847 0.230 13 0 "[ . 1 . 2]"
1 43 CYS 3.616 0.156 11 0 "[ . 1 . 2]"
1 44 GLY 0.745 0.099 8 0 "[ . 1 . 2]"
1 45 GLN 0.801 0.080 19 0 "[ . 1 . 2]"
1 46 SER 0.044 0.044 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA MB 1 3 MET HA 3.070 . 4.340 4.192 3.755 4.461 0.121 18 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 4 GLU H 3.785 . 5.770 3.950 2.524 5.152 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET QB 2.735 . 3.670 2.800 2.251 3.367 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 3 MET QG 3.350 . 4.900 3.094 2.130 4.402 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 3 MET QB 2.195 . 2.590 2.338 2.173 2.451 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET QB 1 4 GLU H 3.085 . 4.370 3.519 2.601 4.006 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU QB 2.670 . 3.540 2.543 2.233 2.818 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 5 GLN H 2.705 . 3.610 2.407 2.018 2.719 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU HA 1 4 GLU QG 2.700 . 3.600 2.868 2.383 3.518 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU QB 1 5 GLN HE21 3.445 . 5.090 3.803 2.396 5.211 0.121 12 0 "[ . 1 . 2]" 1
11 1 4 GLU QB 1 5 GLN QE 3.125 . 4.450 3.426 2.184 4.465 0.015 20 0 "[ . 1 . 2]" 1
12 1 4 GLU QB 1 5 GLN HE22 3.445 . 5.090 4.394 2.256 5.204 0.114 13 0 "[ . 1 . 2]" 1
13 1 5 GLN H 1 5 GLN HB2 2.830 . 3.860 3.808 3.624 3.919 0.059 12 0 "[ . 1 . 2]" 1
14 1 5 GLN H 1 5 GLN QB 2.570 . 3.340 3.121 2.671 3.191 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLN H 1 5 GLN HB3 2.830 . 3.860 3.319 2.751 3.438 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLN H 1 5 GLN QG 2.745 . 3.690 2.408 2.017 3.192 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLN H 1 6 SER QB 4.035 . 6.270 5.523 5.126 6.200 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLN HA 1 5 GLN QE 3.185 . 4.570 4.286 3.395 4.710 0.140 2 0 "[ . 1 . 2]" 1
19 1 5 GLN HA 1 5 GLN QG 2.715 . 3.630 3.388 3.307 3.509 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLN HA 1 6 SER H 2.280 . 2.760 2.325 2.245 2.474 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLN HA 1 14 ALA MB 3.070 . 4.340 4.131 3.902 4.330 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLN HA 1 25 ASN HD21 3.530 . 5.260 4.560 4.253 5.314 0.054 15 0 "[ . 1 . 2]" 1
23 1 5 GLN HA 1 25 ASN HD22 3.130 . 4.460 3.881 3.401 4.406 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLN QB 1 25 ASN HD21 3.360 . 4.920 3.098 2.797 3.756 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLN HB2 1 6 SER H 2.915 . 4.030 2.680 2.429 2.941 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLN HB2 1 14 ALA MB 2.980 . 4.160 2.936 2.553 3.247 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLN HB3 1 6 SER H 2.915 . 4.030 3.829 3.654 4.050 0.020 12 0 "[ . 1 . 2]" 1
28 1 5 GLN HB3 1 14 ALA MB 2.980 . 4.160 4.032 3.783 4.275 0.115 19 0 "[ . 1 . 2]" 1
29 1 5 GLN QG 1 6 SER H 3.050 . 4.300 3.886 3.697 4.060 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLN QG 1 14 ALA MB 2.680 . 3.560 1.836 1.733 2.325 0.067 12 0 "[ . 1 . 2]" 1
31 1 5 GLN QG 1 16 SER H 3.475 . 5.150 4.948 4.478 5.201 0.051 20 0 "[ . 1 . 2]" 1
32 1 6 SER H 1 6 SER QB 2.510 . 3.220 2.818 2.505 3.128 . 0 0 "[ . 1 . 2]" 1
33 1 6 SER H 1 7 CYS H 3.180 . 4.560 4.345 4.269 4.410 . 0 0 "[ . 1 . 2]" 1
34 1 6 SER H 1 14 ALA MB 3.135 . 4.470 3.388 3.149 3.706 . 0 0 "[ . 1 . 2]" 1
35 1 6 SER H 1 25 ASN HD21 3.495 . 5.190 2.818 2.459 3.514 . 0 0 "[ . 1 . 2]" 1
36 1 6 SER H 1 25 ASN HD22 3.470 . 5.140 2.485 2.201 2.890 . 0 0 "[ . 1 . 2]" 1
37 1 6 SER HA 1 7 CYS H 2.385 . 2.970 2.164 2.118 2.196 . 0 0 "[ . 1 . 2]" 1
38 1 6 SER HA 1 13 GLU H 3.310 . 4.820 4.297 4.050 4.691 . 0 0 "[ . 1 . 2]" 1
39 1 6 SER HA 1 14 ALA H 2.575 . 3.350 3.044 2.841 3.285 . 0 0 "[ . 1 . 2]" 1
40 1 6 SER HA 1 14 ALA MB 2.785 . 3.770 2.492 2.167 2.799 . 0 0 "[ . 1 . 2]" 1
41 1 6 SER HA 1 25 ASN HB2 3.715 . 5.630 5.375 4.984 5.699 0.069 3 0 "[ . 1 . 2]" 1
42 1 6 SER QB 1 7 CYS H 2.615 . 3.430 3.161 2.979 3.322 . 0 0 "[ . 1 . 2]" 1
43 1 6 SER HB2 1 14 ALA MB 3.730 . 5.660 4.428 4.198 4.683 . 0 0 "[ . 1 . 2]" 1
44 1 6 SER HB3 1 14 ALA MB 3.730 . 5.660 4.350 4.057 4.621 . 0 0 "[ . 1 . 2]" 1
45 1 7 CYS H 1 7 CYS HB2 2.585 . 3.370 2.495 2.398 2.573 . 0 0 "[ . 1 . 2]" 1
46 1 7 CYS H 1 7 CYS HB3 2.755 . 3.710 2.586 2.500 2.661 . 0 0 "[ . 1 . 2]" 1
47 1 7 CYS H 1 8 VAL H 3.365 . 4.930 4.486 4.464 4.511 . 0 0 "[ . 1 . 2]" 1
48 1 7 CYS H 1 10 CYS H 3.410 . 5.020 4.485 4.237 4.909 . 0 0 "[ . 1 . 2]" 1
49 1 7 CYS H 1 11 GLY H 3.400 . 5.000 3.099 2.626 3.696 . 0 0 "[ . 1 . 2]" 1
50 1 7 CYS H 1 12 ARG H 3.410 . 5.020 4.386 4.155 4.622 . 0 0 "[ . 1 . 2]" 1
51 1 7 CYS H 1 12 ARG HA 3.595 . 5.390 3.481 2.849 3.988 . 0 0 "[ . 1 . 2]" 1
52 1 7 CYS H 1 13 GLU H 3.635 . 5.470 3.882 3.765 3.985 . 0 0 "[ . 1 . 2]" 1
53 1 7 CYS H 1 13 GLU HA 3.675 . 5.550 5.653 5.592 5.705 0.155 12 0 "[ . 1 . 2]" 1
54 1 7 CYS H 1 14 ALA H 2.720 . 3.640 2.659 2.511 3.231 . 0 0 "[ . 1 . 2]" 1
55 1 7 CYS H 1 14 ALA HA 3.585 . 5.370 3.700 3.540 3.848 . 0 0 "[ . 1 . 2]" 1
56 1 7 CYS H 1 14 ALA MB 2.725 . 3.650 1.953 1.826 2.124 . 0 0 "[ . 1 . 2]" 1
57 1 7 CYS H 1 26 TYR HA 3.530 . 5.260 4.744 4.628 4.838 . 0 0 "[ . 1 . 2]" 1
58 1 7 CYS H 1 27 CYS H 3.840 . 5.880 5.597 5.390 5.755 . 0 0 "[ . 1 . 2]" 1
59 1 7 CYS HA 1 8 VAL H 2.305 . 2.810 2.120 2.093 2.141 . 0 0 "[ . 1 . 2]" 1
60 1 7 CYS HA 1 8 VAL QG 2.955 . 4.110 3.741 3.269 3.897 . 0 0 "[ . 1 . 2]" 1
61 1 7 CYS HA 1 9 ASN H 3.000 . 4.200 3.595 3.541 3.703 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS HA 1 10 CYS H 3.140 . 4.480 4.164 4.017 4.436 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS HA 1 11 GLY H 3.270 . 4.740 4.535 4.050 4.793 0.053 2 0 "[ . 1 . 2]" 1
64 1 7 CYS HA 1 14 ALA MB 2.690 . 3.580 2.614 2.433 2.828 . 0 0 "[ . 1 . 2]" 1
65 1 7 CYS HA 1 25 ASN H 3.490 . 5.180 4.728 4.555 4.913 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS HA 1 25 ASN HB2 3.195 . 4.590 3.866 3.671 4.124 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS HA 1 25 ASN HB3 4.000 . 6.200 5.493 5.337 5.679 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS HA 1 26 TYR H 3.370 . 4.940 4.140 4.071 4.250 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS HA 1 26 TYR HA 2.855 . 3.910 2.168 2.045 2.254 . 0 0 "[ . 1 . 2]" 1
70 1 7 CYS HA 1 27 CYS H 2.965 . 4.130 4.082 3.897 4.232 0.102 2 0 "[ . 1 . 2]" 1
71 1 7 CYS HA 1 28 SER H 3.965 . 6.130 5.885 5.634 6.174 0.044 2 0 "[ . 1 . 2]" 1
72 1 7 CYS HB2 1 8 VAL H 3.155 . 4.510 4.285 4.233 4.323 . 0 0 "[ . 1 . 2]" 1
73 1 7 CYS HB2 1 9 ASN H 3.685 . 5.570 4.337 4.185 4.527 . 0 0 "[ . 1 . 2]" 1
74 1 7 CYS HB2 1 11 GLY H 3.045 . 4.290 3.168 3.031 3.378 . 0 0 "[ . 1 . 2]" 1
75 1 7 CYS HB2 1 14 ALA H 3.395 . 4.990 3.424 2.958 4.110 . 0 0 "[ . 1 . 2]" 1
76 1 7 CYS HB2 1 14 ALA HA 3.015 . 4.230 2.658 2.502 2.861 . 0 0 "[ . 1 . 2]" 1
77 1 7 CYS HB2 1 14 ALA MB 2.700 . 3.600 2.630 2.395 2.858 . 0 0 "[ . 1 . 2]" 1
78 1 7 CYS HB2 1 15 MET H 3.720 . 5.640 4.572 4.354 4.775 . 0 0 "[ . 1 . 2]" 1
79 1 7 CYS HB2 1 26 TYR HA 3.360 . 4.920 3.299 3.180 3.459 . 0 0 "[ . 1 . 2]" 1
80 1 7 CYS HB2 1 27 CYS H 2.980 . 4.160 3.234 3.029 3.464 . 0 0 "[ . 1 . 2]" 1
81 1 7 CYS HB3 1 8 VAL H 3.225 . 4.650 4.182 4.147 4.224 . 0 0 "[ . 1 . 2]" 1
82 1 7 CYS HB3 1 9 ASN H 3.270 . 4.740 3.492 3.338 3.680 . 0 0 "[ . 1 . 2]" 1
83 1 7 CYS HB3 1 10 CYS H 2.690 . 3.580 2.275 2.091 2.543 . 0 0 "[ . 1 . 2]" 1
84 1 7 CYS HB3 1 11 GLY H 2.595 . 3.390 1.754 1.708 1.803 0.092 15 0 "[ . 1 . 2]" 1
85 1 7 CYS HB3 1 14 ALA MB 3.155 . 4.510 3.673 3.464 3.851 . 0 0 "[ . 1 . 2]" 1
86 1 7 CYS HB3 1 27 CYS H 3.260 . 4.720 4.411 4.279 4.583 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL H 1 8 VAL HB 2.740 . 3.680 2.502 2.370 3.251 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL H 1 8 VAL QG 2.425 . 3.050 2.135 1.725 2.265 0.075 11 0 "[ . 1 . 2]" 1
89 1 8 VAL H 1 9 ASN H 2.710 . 3.620 2.677 2.640 2.708 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL H 1 10 CYS H 3.340 . 4.880 4.180 4.018 4.409 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL H 1 24 VAL HB 3.450 . 5.100 4.648 4.264 5.003 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL H 1 24 VAL MG2 3.820 . 5.840 5.330 4.932 5.649 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL H 1 26 TYR HA 2.960 . 4.120 2.778 2.655 2.918 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL H 1 26 TYR QD 3.625 . 5.450 4.080 3.811 4.380 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL H 1 27 CYS H 3.660 . 5.520 5.190 5.093 5.354 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL HA 1 8 VAL QG 2.425 . 3.050 2.245 2.094 2.292 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL HA 1 10 CYS H 3.395 . 4.990 4.437 4.220 4.736 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL HB 1 9 ASN H 3.455 . 5.110 4.057 3.066 4.192 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL HB 1 24 VAL HB 3.510 . 5.220 3.309 2.541 5.245 0.025 11 0 "[ . 1 . 2]" 1
100 1 8 VAL HB 1 24 VAL MG2 3.745 . 5.690 4.470 3.806 5.428 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL QG 1 9 ASN H 2.790 . 3.780 2.659 2.553 3.116 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL QG 1 9 ASN HA 2.940 . 4.080 3.371 3.179 4.237 0.157 11 0 "[ . 1 . 2]" 1
103 1 8 VAL QG 1 9 ASN HB2 3.460 . 5.120 3.117 2.872 4.228 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL QG 1 9 ASN HB3 3.620 . 5.440 3.901 3.724 4.748 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL QG 1 10 CYS H 3.430 . 5.060 4.307 4.154 4.621 . 0 0 "[ . 1 . 2]" 1
106 1 8 VAL QG 1 24 VAL HA 3.460 . 5.120 4.448 3.750 4.730 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL QG 1 24 VAL HB 2.500 . 3.200 2.870 2.142 3.196 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL QG 1 24 VAL MG2 2.775 . 3.750 3.185 2.622 3.628 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL QG 1 25 ASN H 2.790 . 3.780 3.671 2.747 3.875 0.095 10 0 "[ . 1 . 2]" 1
110 1 8 VAL QG 1 26 TYR HA 3.375 . 4.950 3.326 3.098 3.512 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL QG 1 26 TYR QD 2.905 . 4.010 2.855 2.607 3.095 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL QG 1 26 TYR QE 2.855 . 3.910 2.614 2.419 2.807 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL QG 1 35 ASP HB2 3.570 . 5.340 3.511 3.135 4.136 . 0 0 "[ . 1 . 2]" 1
114 1 8 VAL QG 1 35 ASP HB3 3.630 . 5.460 3.936 3.563 4.438 . 0 0 "[ . 1 . 2]" 1
115 1 8 VAL MG1 1 9 ASN H 3.135 . 4.470 2.804 2.582 4.299 . 0 0 "[ . 1 . 2]" 1
116 1 8 VAL MG1 1 9 ASN HA 3.275 . 4.750 3.585 3.402 4.655 . 0 0 "[ . 1 . 2]" 1
117 1 8 VAL MG1 1 9 ASN HB2 3.965 . 6.130 3.250 2.903 5.298 . 0 0 "[ . 1 . 2]" 1
118 1 8 VAL MG1 1 9 ASN HB3 4.150 . 6.500 4.092 3.784 6.070 . 0 0 "[ . 1 . 2]" 1
119 1 8 VAL MG1 1 10 CYS H 3.930 . 6.060 4.583 4.349 5.547 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL MG1 1 25 ASN H 3.215 . 4.630 4.033 3.469 4.609 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL MG1 1 35 ASP HB2 4.130 . 6.460 3.660 3.171 5.522 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL MG2 1 9 ASN H 3.135 . 4.470 3.974 3.134 4.147 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL MG2 1 9 ASN HA 3.275 . 4.750 4.111 3.811 4.956 0.206 20 0 "[ . 1 . 2]" 1
124 1 8 VAL MG2 1 9 ASN HB2 3.965 . 6.130 4.715 4.323 4.914 . 0 0 "[ . 1 . 2]" 1
125 1 8 VAL MG2 1 9 ASN HB3 4.150 . 6.500 5.545 4.821 5.743 . 0 0 "[ . 1 . 2]" 1
126 1 8 VAL MG2 1 10 CYS H 3.930 . 6.060 5.368 4.849 5.569 . 0 0 "[ . 1 . 2]" 1
127 1 8 VAL MG2 1 25 ASN H 3.215 . 4.630 4.472 2.770 4.718 0.088 19 0 "[ . 1 . 2]" 1
128 1 8 VAL MG2 1 35 ASP HB2 4.130 . 6.460 5.131 4.273 5.616 . 0 0 "[ . 1 . 2]" 1
129 1 9 ASN H 1 9 ASN HB2 2.715 . 3.630 2.844 2.705 2.939 . 0 0 "[ . 1 . 2]" 1
130 1 9 ASN H 1 9 ASN HB3 2.785 . 3.770 2.504 2.459 2.548 . 0 0 "[ . 1 . 2]" 1
131 1 9 ASN H 1 10 CYS H 2.515 . 3.230 2.202 2.105 2.358 . 0 0 "[ . 1 . 2]" 1
132 1 9 ASN H 1 11 GLY H 3.215 . 4.630 4.650 3.959 4.731 0.101 20 0 "[ . 1 . 2]" 1
133 1 9 ASN H 1 26 TYR HA 3.415 . 5.030 3.812 3.596 4.115 . 0 0 "[ . 1 . 2]" 1
134 1 9 ASN H 1 26 TYR QD 3.240 . 4.680 3.725 3.345 4.273 . 0 0 "[ . 1 . 2]" 1
135 1 9 ASN H 1 27 CYS H 3.730 . 5.660 5.046 4.925 5.196 . 0 0 "[ . 1 . 2]" 1
136 1 9 ASN H 1 31 CYS HB3 3.400 . 5.000 3.886 3.590 4.115 . 0 0 "[ . 1 . 2]" 1
137 1 9 ASN HA 1 9 ASN HD21 3.065 . 4.330 4.106 3.920 4.382 0.052 11 0 "[ . 1 . 2]" 1
138 1 9 ASN HA 1 9 ASN HD22 3.340 . 4.880 4.510 4.387 4.658 . 0 0 "[ . 1 . 2]" 1
139 1 9 ASN HB2 1 10 CYS H 3.110 . 4.420 4.107 4.010 4.230 . 0 0 "[ . 1 . 2]" 1
140 1 9 ASN HB2 1 26 TYR QD 3.235 . 4.670 3.505 2.813 3.990 . 0 0 "[ . 1 . 2]" 1
141 1 9 ASN HB2 1 31 CYS HA 3.345 . 4.890 4.138 3.627 4.368 . 0 0 "[ . 1 . 2]" 1
142 1 9 ASN HB2 1 31 CYS HB3 2.890 . 3.980 2.698 2.194 2.986 . 0 0 "[ . 1 . 2]" 1
143 1 9 ASN HB3 1 10 CYS H 2.780 . 3.760 2.966 2.730 3.137 . 0 0 "[ . 1 . 2]" 1
144 1 9 ASN HB3 1 31 CYS HA 3.430 . 5.060 4.048 3.701 4.479 . 0 0 "[ . 1 . 2]" 1
145 1 9 ASN HB3 1 31 CYS HB2 3.105 . 4.410 3.627 3.269 4.055 . 0 0 "[ . 1 . 2]" 1
146 1 9 ASN HB3 1 31 CYS HB3 2.825 . 3.850 2.188 1.782 2.983 0.018 3 0 "[ . 1 . 2]" 1
147 1 9 ASN HD21 1 10 CYS H 3.445 . 5.090 3.944 3.483 4.655 . 0 0 "[ . 1 . 2]" 1
148 1 9 ASN HD21 1 10 CYS HA 3.220 . 4.640 4.100 3.703 4.775 0.135 20 0 "[ . 1 . 2]" 1
149 1 9 ASN HD21 1 10 CYS HB2 3.590 . 5.380 4.489 4.190 5.045 . 0 0 "[ . 1 . 2]" 1
150 1 9 ASN HD21 1 10 CYS QB 3.240 . 4.680 3.751 2.471 4.634 . 0 0 "[ . 1 . 2]" 1
151 1 9 ASN HD21 1 10 CYS HB3 3.590 . 5.380 4.164 2.488 5.398 0.018 10 0 "[ . 1 . 2]" 1
152 1 9 ASN HD21 1 26 TYR QD 3.940 . 6.080 5.408 4.586 5.765 . 0 0 "[ . 1 . 2]" 1
153 1 9 ASN HD21 1 31 CYS H 3.945 . 6.090 5.434 4.543 5.924 . 0 0 "[ . 1 . 2]" 1
154 1 9 ASN HD21 1 31 CYS HA 3.070 . 4.340 4.045 2.712 4.445 0.105 12 0 "[ . 1 . 2]" 1
155 1 9 ASN HD21 1 31 CYS HB2 3.420 . 5.040 4.557 3.648 5.038 . 0 0 "[ . 1 . 2]" 1
156 1 9 ASN HD21 1 31 CYS HB3 3.125 . 4.450 3.309 2.614 3.811 . 0 0 "[ . 1 . 2]" 1
157 1 9 ASN HD22 1 10 CYS H 3.760 . 5.720 5.318 4.935 5.731 0.011 11 0 "[ . 1 . 2]" 1
158 1 9 ASN HD22 1 10 CYS HA 3.590 . 5.380 4.856 4.588 5.204 . 0 0 "[ . 1 . 2]" 1
159 1 9 ASN HD22 1 31 CYS HA 3.280 . 4.760 4.353 3.421 4.797 0.037 11 0 "[ . 1 . 2]" 1
160 1 10 CYS H 1 10 CYS HB2 2.820 . 3.840 2.995 2.630 3.887 0.047 8 0 "[ . 1 . 2]" 1
161 1 10 CYS H 1 10 CYS HB3 2.820 . 3.840 3.667 3.054 3.853 0.013 9 0 "[ . 1 . 2]" 1
162 1 10 CYS H 1 11 GLY H 2.485 . 3.170 2.770 2.183 2.896 . 0 0 "[ . 1 . 2]" 1
163 1 11 GLY QA 1 12 ARG QB 3.520 . 5.240 4.096 3.832 4.270 . 0 0 "[ . 1 . 2]" 1
164 1 12 ARG H 1 12 ARG HB2 2.890 . 3.980 3.127 2.225 3.584 . 0 0 "[ . 1 . 2]" 1
165 1 12 ARG H 1 12 ARG HB3 2.890 . 3.980 2.774 2.203 3.583 . 0 0 "[ . 1 . 2]" 1
166 1 12 ARG H 1 12 ARG QD 3.195 . 4.590 3.672 2.172 4.390 . 0 0 "[ . 1 . 2]" 1
167 1 12 ARG H 1 12 ARG QG 3.430 . 5.060 2.457 1.752 4.029 0.048 6 0 "[ . 1 . 2]" 1
168 1 12 ARG H 1 13 GLU H 2.985 . 4.170 2.961 2.881 3.099 . 0 0 "[ . 1 . 2]" 1
169 1 12 ARG HA 1 12 ARG QD 3.070 . 4.340 3.999 2.133 4.485 0.145 5 0 "[ . 1 . 2]" 1
170 1 12 ARG HA 1 12 ARG QG 2.945 . 4.090 3.022 2.316 3.494 . 0 0 "[ . 1 . 2]" 1
171 1 12 ARG HA 1 13 GLU H 2.585 . 3.370 3.368 3.338 3.398 0.028 19 0 "[ . 1 . 2]" 1
172 1 12 ARG HA 1 13 GLU HA 3.345 . 4.890 4.798 4.740 4.862 . 0 0 "[ . 1 . 2]" 1
173 1 12 ARG HA 1 14 ALA H 3.230 . 4.660 3.147 2.979 3.387 . 0 0 "[ . 1 . 2]" 1
174 1 12 ARG QB 1 12 ARG QD 2.710 . 3.620 2.254 2.082 2.883 . 0 0 "[ . 1 . 2]" 1
175 1 12 ARG QB 1 13 GLU H 3.035 . 4.270 3.538 3.111 3.821 . 0 0 "[ . 1 . 2]" 1
176 1 12 ARG HB2 1 12 ARG QD 2.985 . 4.170 2.502 2.285 3.493 . 0 0 "[ . 1 . 2]" 1
177 1 12 ARG HB3 1 12 ARG QD 2.985 . 4.170 2.688 2.225 3.531 . 0 0 "[ . 1 . 2]" 1
178 1 12 ARG QD 1 13 GLU H 3.405 . 5.010 4.669 2.218 5.160 0.150 9 0 "[ . 1 . 2]" 1
179 1 12 ARG QG 1 13 GLU H 3.310 . 4.820 3.465 2.651 4.853 0.033 17 0 "[ . 1 . 2]" 1
180 1 13 GLU H 1 13 GLU HB2 2.375 . 2.950 2.329 2.076 2.469 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLU H 1 13 GLU QB 2.145 . 2.490 2.194 2.043 2.248 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLU H 1 13 GLU HB3 2.375 . 2.950 2.756 2.509 3.421 0.471 1 0 "[ . 1 . 2]" 1
183 1 13 GLU H 1 13 GLU QG 2.930 . 4.060 3.969 3.288 4.069 0.009 20 0 "[ . 1 . 2]" 1
184 1 13 GLU H 1 14 ALA H 2.965 . 4.130 2.753 2.622 3.057 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLU HA 1 13 GLU QG 2.640 . 3.480 2.595 2.151 2.902 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLU HA 1 14 ALA H 2.570 . 3.340 3.259 3.183 3.301 . 0 0 "[ . 1 . 2]" 1
187 1 13 GLU HA 1 14 ALA MB 3.295 . 4.790 4.766 4.686 4.845 0.055 10 0 "[ . 1 . 2]" 1
188 1 13 GLU QB 1 14 ALA H 2.725 . 3.650 3.393 3.249 3.684 0.034 10 0 "[ . 1 . 2]" 1
189 1 13 GLU QG 1 14 ALA H 3.245 . 4.690 4.463 4.251 4.802 0.112 1 0 "[ . 1 . 2]" 1
190 1 14 ALA H 1 14 ALA MB 2.515 . 3.230 2.225 2.205 2.262 . 0 0 "[ . 1 . 2]" 1
191 1 14 ALA H 1 27 CYS HB2 3.430 . 5.060 4.109 3.655 4.807 . 0 0 "[ . 1 . 2]" 1
192 1 14 ALA H 1 27 CYS QB 3.055 . 4.310 3.348 3.135 4.021 . 0 0 "[ . 1 . 2]" 1
193 1 14 ALA H 1 27 CYS HB3 3.430 . 5.060 3.560 3.367 4.313 . 0 0 "[ . 1 . 2]" 1
194 1 14 ALA HA 1 15 MET H 2.465 . 3.130 2.208 2.070 2.485 . 0 0 "[ . 1 . 2]" 1
195 1 14 ALA HA 1 15 MET QB 3.200 . 4.600 4.036 3.806 4.410 . 0 0 "[ . 1 . 2]" 1
196 1 14 ALA HA 1 16 SER H 2.795 . 3.790 3.619 3.419 3.840 0.050 10 0 "[ . 1 . 2]" 1
197 1 14 ALA HA 1 27 CYS H 3.510 . 5.220 3.806 3.537 3.966 . 0 0 "[ . 1 . 2]" 1
198 1 14 ALA HA 1 27 CYS HA 2.520 . 3.240 1.866 1.707 2.155 0.093 12 0 "[ . 1 . 2]" 1
199 1 14 ALA HA 1 27 CYS HB2 3.020 . 4.240 2.748 2.329 3.188 . 0 0 "[ . 1 . 2]" 1
200 1 14 ALA HA 1 27 CYS QB 2.730 . 3.660 2.147 1.792 2.348 0.008 17 0 "[ . 1 . 2]" 1
201 1 14 ALA HA 1 27 CYS HB3 3.020 . 4.240 2.252 1.862 2.520 . 0 0 "[ . 1 . 2]" 1
202 1 14 ALA MB 1 15 MET H 2.850 . 3.900 2.706 2.187 3.309 . 0 0 "[ . 1 . 2]" 1
203 1 14 ALA MB 1 15 MET HA 2.975 . 4.150 3.949 3.778 4.134 . 0 0 "[ . 1 . 2]" 1
204 1 14 ALA MB 1 16 SER H 2.890 . 3.980 3.665 3.473 3.807 . 0 0 "[ . 1 . 2]" 1
205 1 14 ALA MB 1 16 SER QB 3.675 . 5.550 5.437 5.193 5.585 0.035 2 0 "[ . 1 . 2]" 1
206 1 14 ALA MB 1 25 ASN HA 3.205 . 4.610 4.603 4.262 4.744 0.134 2 0 "[ . 1 . 2]" 1
207 1 14 ALA MB 1 25 ASN HB2 2.680 . 3.560 2.549 2.075 2.768 . 0 0 "[ . 1 . 2]" 1
208 1 14 ALA MB 1 25 ASN HB3 2.865 . 3.930 3.907 3.554 4.019 0.089 15 0 "[ . 1 . 2]" 1
209 1 14 ALA MB 1 25 ASN HD21 3.075 . 4.350 3.212 2.525 3.908 . 0 0 "[ . 1 . 2]" 1
210 1 14 ALA MB 1 25 ASN HD22 3.200 . 4.600 4.297 3.638 4.628 0.028 8 0 "[ . 1 . 2]" 1
211 1 14 ALA MB 1 26 TYR H 2.840 . 3.880 3.606 3.378 3.758 . 0 0 "[ . 1 . 2]" 1
212 1 14 ALA MB 1 26 TYR HA 3.185 . 4.570 3.670 3.507 3.813 . 0 0 "[ . 1 . 2]" 1
213 1 14 ALA MB 1 26 TYR HB3 3.630 . 5.460 5.222 5.116 5.349 . 0 0 "[ . 1 . 2]" 1
214 1 14 ALA MB 1 27 CYS H 3.105 . 4.410 4.377 4.261 4.495 0.085 19 0 "[ . 1 . 2]" 1
215 1 14 ALA MB 1 27 CYS HA 2.995 . 4.190 3.345 3.106 3.674 . 0 0 "[ . 1 . 2]" 1
216 1 14 ALA MB 1 27 CYS HB2 3.260 . 4.720 4.259 3.972 4.646 . 0 0 "[ . 1 . 2]" 1
217 1 14 ALA MB 1 27 CYS QB 2.915 . 4.030 3.278 2.988 3.494 . 0 0 "[ . 1 . 2]" 1
218 1 14 ALA MB 1 27 CYS HB3 3.260 . 4.720 3.408 3.090 3.640 . 0 0 "[ . 1 . 2]" 1
219 1 14 ALA MB 1 28 SER H 3.755 . 5.710 5.561 5.432 5.703 . 0 0 "[ . 1 . 2]" 1
220 1 15 MET H 1 15 MET HB2 2.880 . 3.960 3.350 2.638 4.012 0.052 13 0 "[ . 1 . 2]" 1
221 1 15 MET H 1 15 MET QB 2.635 . 3.470 2.822 2.486 3.287 . 0 0 "[ . 1 . 2]" 1
222 1 15 MET H 1 15 MET HB3 2.880 . 3.960 3.188 2.661 3.877 . 0 0 "[ . 1 . 2]" 1
223 1 15 MET H 1 15 MET QG 3.165 . 4.530 3.712 2.342 4.279 . 0 0 "[ . 1 . 2]" 1
224 1 15 MET H 1 16 SER H 2.350 . 2.900 1.715 1.656 1.905 0.144 16 0 "[ . 1 . 2]" 1
225 1 15 MET H 1 27 CYS H 3.360 . 4.920 4.375 4.215 4.618 . 0 0 "[ . 1 . 2]" 1
226 1 15 MET H 1 27 CYS HA 2.710 . 3.620 1.882 1.709 2.415 0.091 16 0 "[ . 1 . 2]" 1
227 1 15 MET H 1 27 CYS QB 3.240 . 4.680 3.499 2.960 3.904 . 0 0 "[ . 1 . 2]" 1
228 1 15 MET H 1 28 SER H 3.505 . 5.210 4.889 4.525 5.215 0.005 10 0 "[ . 1 . 2]" 1
229 1 15 MET HA 1 15 MET QG 2.700 . 3.600 2.756 2.415 3.351 . 0 0 "[ . 1 . 2]" 1
230 1 15 MET QB 1 16 SER H 2.765 . 3.730 3.125 2.928 3.786 0.056 20 0 "[ . 1 . 2]" 1
231 1 15 MET HB2 1 16 SER H 3.030 . 4.260 3.959 3.018 4.240 . 0 0 "[ . 1 . 2]" 1
232 1 15 MET HB3 1 16 SER H 3.030 . 4.260 3.451 3.050 4.294 0.034 20 0 "[ . 1 . 2]" 1
233 1 15 MET QG 1 16 SER H 3.470 . 5.140 3.814 2.578 4.342 . 0 0 "[ . 1 . 2]" 1
234 1 16 SER H 1 16 SER QB 2.510 . 3.220 2.643 2.557 2.739 . 0 0 "[ . 1 . 2]" 1
235 1 16 SER H 1 17 GLU H 3.355 . 4.910 4.437 4.392 4.468 . 0 0 "[ . 1 . 2]" 1
236 1 16 SER H 1 26 TYR H 3.120 . 4.440 3.710 3.435 4.326 . 0 0 "[ . 1 . 2]" 1
237 1 16 SER H 1 26 TYR HB2 3.705 . 5.610 4.174 4.019 4.501 . 0 0 "[ . 1 . 2]" 1
238 1 16 SER H 1 26 TYR HB3 3.680 . 5.560 5.055 4.866 5.302 . 0 0 "[ . 1 . 2]" 1
239 1 16 SER H 1 27 CYS HA 2.685 . 3.570 2.652 2.369 3.102 . 0 0 "[ . 1 . 2]" 1
240 1 16 SER H 1 27 CYS QB 3.765 . 5.730 4.447 4.171 4.807 . 0 0 "[ . 1 . 2]" 1
241 1 16 SER HA 1 16 SER QB 2.325 . 2.850 2.367 2.324 2.415 . 0 0 "[ . 1 . 2]" 1
242 1 16 SER HA 1 17 GLU H 2.235 . 2.670 2.290 2.161 2.378 . 0 0 "[ . 1 . 2]" 1
243 1 16 SER QB 1 17 GLU H 2.560 . 3.320 2.939 2.574 3.359 0.039 18 0 "[ . 1 . 2]" 1
244 1 16 SER QB 1 26 TYR H 3.295 . 4.790 4.333 4.060 4.730 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLU H 1 17 GLU QB 2.455 . 3.110 2.933 2.774 3.059 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLU H 1 17 GLU HG2 2.795 . 3.790 1.987 1.795 2.147 0.005 15 0 "[ . 1 . 2]" 1
247 1 17 GLU H 1 17 GLU QG 2.540 . 3.280 1.960 1.783 2.090 0.017 15 0 "[ . 1 . 2]" 1
248 1 17 GLU H 1 17 GLU HG3 2.795 . 3.790 3.072 2.642 3.375 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLU H 1 18 CYS H 3.225 . 4.650 4.490 4.455 4.539 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLU H 1 25 ASN HA 3.795 . 5.790 5.297 5.078 5.649 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLU HA 1 17 GLU QG 2.740 . 3.680 3.334 3.297 3.348 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLU HA 1 18 CYS H 2.345 . 2.890 2.370 2.277 2.414 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLU HA 1 18 CYS HB2 3.520 . 5.240 4.969 4.825 5.100 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLU HA 1 18 CYS HB3 3.360 . 4.920 4.533 4.414 4.647 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLU HA 1 25 ASN H 3.715 . 5.630 5.388 5.174 5.689 0.059 6 0 "[ . 1 . 2]" 1
256 1 17 GLU HA 1 25 ASN HA 2.795 . 3.790 2.511 2.298 2.775 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLU HA 1 25 ASN HB2 3.445 . 5.090 4.458 4.091 4.800 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLU HA 1 26 TYR H 2.735 . 3.670 2.732 2.552 2.947 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLU QB 1 18 CYS H 2.535 . 3.270 2.493 2.406 2.635 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU QB 1 19 THR H 3.785 . 5.770 5.339 5.180 5.468 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU QB 1 22 HIS HA 2.965 . 4.130 3.461 3.224 3.844 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLU QB 1 22 HIS HB3 3.575 . 5.350 4.302 3.728 5.335 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLU QB 1 22 HIS HE1 3.770 . 5.740 4.863 4.399 5.754 0.014 4 0 "[ . 1 . 2]" 1
264 1 17 GLU QB 1 25 ASN HA 2.935 . 4.070 3.425 3.172 3.581 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLU QB 1 26 TYR H 3.230 . 4.660 4.194 3.875 4.399 . 0 0 "[ . 1 . 2]" 1
266 1 17 GLU QG 1 18 CYS H 2.855 . 3.910 3.727 3.341 3.924 0.014 17 0 "[ . 1 . 2]" 1
267 1 17 GLU QG 1 19 THR H 3.650 . 5.500 4.528 4.107 4.877 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLU HG2 1 18 CYS H 3.290 . 4.780 4.715 4.440 4.856 0.076 11 0 "[ . 1 . 2]" 1
269 1 17 GLU HG3 1 18 CYS H 3.290 . 4.780 3.908 3.455 4.167 . 0 0 "[ . 1 . 2]" 1
270 1 18 CYS H 1 18 CYS HB2 2.600 . 3.400 3.012 2.900 3.099 . 0 0 "[ . 1 . 2]" 1
271 1 18 CYS H 1 18 CYS HB3 2.535 . 3.270 2.225 2.171 2.293 . 0 0 "[ . 1 . 2]" 1
272 1 18 CYS H 1 19 THR H 3.200 . 4.600 4.464 4.421 4.496 . 0 0 "[ . 1 . 2]" 1
273 1 18 CYS H 1 19 THR HA 3.680 . 5.560 5.420 5.340 5.522 . 0 0 "[ . 1 . 2]" 1
274 1 18 CYS H 1 20 GLY H 4.150 . 6.500 6.575 6.528 6.611 0.111 8 0 "[ . 1 . 2]" 1
275 1 18 CYS H 1 24 VAL H 3.600 . 5.400 4.624 4.296 5.062 . 0 0 "[ . 1 . 2]" 1
276 1 18 CYS H 1 24 VAL MG2 2.910 . 4.020 3.515 2.925 3.784 . 0 0 "[ . 1 . 2]" 1
277 1 18 CYS H 1 25 ASN HA 2.715 . 3.630 3.517 3.268 3.727 0.097 8 0 "[ . 1 . 2]" 1
278 1 18 CYS H 1 26 TYR QD 3.235 . 4.670 3.024 2.642 3.289 . 0 0 "[ . 1 . 2]" 1
279 1 18 CYS H 1 26 TYR QE 3.220 . 4.640 3.346 2.981 3.537 . 0 0 "[ . 1 . 2]" 1
280 1 18 CYS HA 1 19 THR H 2.350 . 2.900 2.098 2.081 2.108 . 0 0 "[ . 1 . 2]" 1
281 1 18 CYS HA 1 26 TYR QE 3.080 . 4.360 3.775 3.446 4.276 . 0 0 "[ . 1 . 2]" 1
282 1 18 CYS HA 1 32 GLN HB2 2.880 . 3.960 4.048 3.741 4.180 0.220 11 0 "[ . 1 . 2]" 1
283 1 18 CYS HA 1 32 GLN QE 2.875 . 3.950 3.413 3.089 3.707 . 0 0 "[ . 1 . 2]" 1
284 1 18 CYS HB2 1 19 THR H 3.135 . 4.470 4.089 4.005 4.175 . 0 0 "[ . 1 . 2]" 1
285 1 18 CYS HB2 1 19 THR HA 3.865 . 5.930 5.833 5.750 5.919 . 0 0 "[ . 1 . 2]" 1
286 1 18 CYS HB2 1 24 VAL MG2 2.975 . 4.150 3.343 2.975 3.712 . 0 0 "[ . 1 . 2]" 1
287 1 18 CYS HB2 1 26 TYR QE 2.955 . 4.110 1.936 1.756 2.617 0.044 12 0 "[ . 1 . 2]" 1
288 1 18 CYS HB2 1 36 TRP HE3 3.790 . 5.780 5.308 4.819 5.613 . 0 0 "[ . 1 . 2]" 1
289 1 18 CYS HB2 1 39 HIS HD2 3.035 . 4.270 4.105 3.650 4.286 0.016 18 0 "[ . 1 . 2]" 1
290 1 18 CYS HB3 1 19 THR H 3.190 . 4.580 4.457 4.402 4.499 . 0 0 "[ . 1 . 2]" 1
291 1 18 CYS HB3 1 21 CYS H 3.485 . 5.170 3.718 3.527 4.222 . 0 0 "[ . 1 . 2]" 1
292 1 18 CYS HB3 1 24 VAL H 3.475 . 5.150 4.083 3.758 4.594 . 0 0 "[ . 1 . 2]" 1
293 1 18 CYS HB3 1 24 VAL MG2 2.695 . 3.590 2.778 2.238 3.030 . 0 0 "[ . 1 . 2]" 1
294 1 18 CYS HB3 1 26 TYR QD 3.330 . 4.860 3.975 3.505 4.203 . 0 0 "[ . 1 . 2]" 1
295 1 18 CYS HB3 1 26 TYR QE 2.750 . 3.700 2.684 2.315 2.929 . 0 0 "[ . 1 . 2]" 1
296 1 19 THR H 1 19 THR HB 2.575 . 3.350 2.678 2.508 3.460 0.110 15 0 "[ . 1 . 2]" 1
297 1 19 THR H 1 19 THR MG 2.870 . 3.940 3.231 1.795 3.766 0.005 16 0 "[ . 1 . 2]" 1
298 1 19 THR H 1 20 GLY QA 3.775 . 5.750 4.849 4.790 4.887 . 0 0 "[ . 1 . 2]" 1
299 1 19 THR H 1 21 CYS H 3.400 . 5.000 4.784 4.724 4.870 . 0 0 "[ . 1 . 2]" 1
300 1 19 THR H 1 32 GLN QE 3.150 . 4.500 4.464 3.956 4.629 0.129 8 0 "[ . 1 . 2]" 1
301 1 19 THR HA 1 19 THR MG 2.500 . 3.200 2.543 2.189 3.220 0.020 2 0 "[ . 1 . 2]" 1
302 1 19 THR HA 1 21 CYS H 3.080 . 4.360 3.923 3.419 4.093 . 0 0 "[ . 1 . 2]" 1
303 1 19 THR HB 1 20 GLY H 3.020 . 4.240 4.102 3.389 4.196 . 0 0 "[ . 1 . 2]" 1
304 1 19 THR MG 1 20 GLY H 3.190 . 4.580 3.143 2.730 4.155 . 0 0 "[ . 1 . 2]" 1
305 1 19 THR MG 1 20 GLY QA 3.205 . 4.610 3.666 3.395 4.754 0.144 15 0 "[ . 1 . 2]" 1
306 1 20 GLY H 1 21 CYS H 2.495 . 3.190 2.993 2.446 3.191 0.001 14 0 "[ . 1 . 2]" 1
307 1 20 GLY H 1 21 CYS HA 3.340 . 4.880 4.243 4.108 4.391 . 0 0 "[ . 1 . 2]" 1
308 1 20 GLY H 1 21 CYS HB3 3.725 . 5.650 5.551 5.348 5.667 0.017 14 0 "[ . 1 . 2]" 1
309 1 20 GLY H 1 22 HIS HD2 3.435 . 5.070 4.601 3.933 5.084 0.014 1 0 "[ . 1 . 2]" 1
310 1 20 GLY QA 1 21 CYS HA 3.270 . 4.740 4.004 3.975 4.048 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLY QA 1 21 CYS HB3 3.030 . 4.260 4.063 3.988 4.183 . 0 0 "[ . 1 . 2]" 1
312 1 21 CYS H 1 21 CYS HB2 2.940 . 4.080 3.923 3.850 3.966 . 0 0 "[ . 1 . 2]" 1
313 1 21 CYS H 1 21 CYS HB3 2.695 . 3.590 3.153 3.079 3.275 . 0 0 "[ . 1 . 2]" 1
314 1 21 CYS H 1 24 VAL MG2 3.570 . 5.340 5.056 4.784 5.228 . 0 0 "[ . 1 . 2]" 1
315 1 21 CYS HA 1 22 HIS HD2 3.165 . 4.530 3.319 2.911 3.619 . 0 0 "[ . 1 . 2]" 1
316 1 21 CYS HA 1 23 LYS H 3.165 . 4.530 3.990 3.899 4.145 . 0 0 "[ . 1 . 2]" 1
317 1 21 CYS HA 1 24 VAL H 3.825 . 5.850 5.909 5.849 5.960 0.110 15 0 "[ . 1 . 2]" 1
318 1 21 CYS HA 1 43 CYS HA 3.985 . 6.170 5.915 5.568 6.161 . 0 0 "[ . 1 . 2]" 1
319 1 21 CYS HA 1 44 GLY H 3.625 . 5.450 5.138 4.570 5.549 0.099 8 0 "[ . 1 . 2]" 1
320 1 21 CYS HB2 1 23 LYS QB 3.015 . 4.230 3.526 2.417 3.887 . 0 0 "[ . 1 . 2]" 1
321 1 21 CYS HB2 1 23 LYS QD 3.040 . 4.280 3.519 2.673 3.910 . 0 0 "[ . 1 . 2]" 1
322 1 21 CYS HB2 1 23 LYS QG 3.420 . 5.040 2.760 2.190 4.377 . 0 0 "[ . 1 . 2]" 1
323 1 21 CYS HB2 1 44 GLY H 3.000 . 4.200 3.916 3.324 4.248 0.048 1 0 "[ . 1 . 2]" 1
324 1 21 CYS HB3 1 22 HIS H 3.010 . 4.220 4.112 3.861 4.188 . 0 0 "[ . 1 . 2]" 1
325 1 21 CYS HB3 1 23 LYS H 3.205 . 4.610 4.342 3.824 4.532 . 0 0 "[ . 1 . 2]" 1
326 1 21 CYS HB3 1 23 LYS QD 3.120 . 4.440 4.297 3.619 4.550 0.110 19 0 "[ . 1 . 2]" 1
327 1 21 CYS HB3 1 39 HIS HE1 3.560 . 5.320 5.052 4.477 5.279 . 0 0 "[ . 1 . 2]" 1
328 1 21 CYS HB3 1 43 CYS H 4.005 . 6.210 6.019 5.735 6.217 0.007 16 0 "[ . 1 . 2]" 1
329 1 21 CYS HB3 1 43 CYS HA 2.810 . 3.820 3.376 3.080 3.593 . 0 0 "[ . 1 . 2]" 1
330 1 21 CYS HB3 1 44 GLY H 2.885 . 3.970 2.901 2.419 3.227 . 0 0 "[ . 1 . 2]" 1
331 1 22 HIS H 1 22 HIS HB3 2.820 . 3.840 3.752 3.698 3.831 . 0 0 "[ . 1 . 2]" 1
332 1 22 HIS H 1 22 HIS HD2 2.355 . 2.910 2.881 2.639 3.082 0.172 13 0 "[ . 1 . 2]" 1
333 1 22 HIS H 1 23 LYS H 2.620 . 3.440 2.612 2.342 2.815 . 0 0 "[ . 1 . 2]" 1
334 1 22 HIS H 1 23 LYS QB 3.155 . 4.510 3.970 3.435 4.292 . 0 0 "[ . 1 . 2]" 1
335 1 22 HIS H 1 24 VAL MG2 3.865 . 5.930 5.565 5.364 5.722 . 0 0 "[ . 1 . 2]" 1
336 1 22 HIS HA 1 22 HIS HD2 3.050 . 4.300 4.104 3.688 4.288 . 0 0 "[ . 1 . 2]" 1
337 1 22 HIS HA 1 24 VAL H 3.055 . 4.310 3.526 3.222 3.892 . 0 0 "[ . 1 . 2]" 1
338 1 22 HIS HB2 1 22 HIS HD2 2.605 . 3.410 2.868 2.804 2.999 . 0 0 "[ . 1 . 2]" 1
339 1 22 HIS HB2 1 23 LYS H 3.750 . 5.700 4.120 3.986 4.225 . 0 0 "[ . 1 . 2]" 1
340 1 22 HIS HB3 1 22 HIS HE1 3.360 . 4.920 4.748 4.718 4.766 . 0 0 "[ . 1 . 2]" 1
341 1 22 HIS HB3 1 23 LYS H 3.755 . 5.710 4.477 4.448 4.515 . 0 0 "[ . 1 . 2]" 1
342 1 22 HIS HD2 1 23 LYS H 3.780 . 5.760 5.319 5.089 5.529 . 0 0 "[ . 1 . 2]" 1
343 1 23 LYS H 1 23 LYS QB 2.390 . 2.980 2.623 2.041 2.798 . 0 0 "[ . 1 . 2]" 1
344 1 23 LYS H 1 23 LYS QD 3.495 . 5.190 3.945 3.488 4.249 . 0 0 "[ . 1 . 2]" 1
345 1 23 LYS H 1 23 LYS QG 2.600 . 3.400 2.167 1.898 3.534 0.134 13 0 "[ . 1 . 2]" 1
346 1 23 LYS H 1 24 VAL H 2.295 . 2.790 2.317 2.172 2.419 . 0 0 "[ . 1 . 2]" 1
347 1 23 LYS H 1 24 VAL HA 3.435 . 5.070 5.000 4.888 5.069 . 0 0 "[ . 1 . 2]" 1
348 1 23 LYS H 1 24 VAL MG1 3.190 . 4.580 4.205 4.049 4.369 . 0 0 "[ . 1 . 2]" 1
349 1 23 LYS H 1 24 VAL MG2 2.965 . 4.130 3.592 3.390 3.754 . 0 0 "[ . 1 . 2]" 1
350 1 23 LYS H 1 39 HIS HE1 3.590 . 5.380 5.104 4.908 5.280 . 0 0 "[ . 1 . 2]" 1
351 1 23 LYS HA 1 23 LYS QB 2.395 . 2.990 2.178 2.168 2.193 . 0 0 "[ . 1 . 2]" 1
352 1 23 LYS HA 1 23 LYS QD 3.215 . 4.630 4.548 4.443 4.602 . 0 0 "[ . 1 . 2]" 1
353 1 23 LYS HA 1 23 LYS QE 3.275 . 4.750 4.225 4.001 4.759 0.009 20 0 "[ . 1 . 2]" 1
354 1 23 LYS HA 1 23 LYS HG2 2.865 . 3.930 3.765 3.568 3.861 . 0 0 "[ . 1 . 2]" 1
355 1 23 LYS HA 1 23 LYS QG 2.605 . 3.410 3.320 2.899 3.361 . 0 0 "[ . 1 . 2]" 1
356 1 23 LYS HA 1 23 LYS HG3 2.865 . 3.930 3.698 3.068 3.803 . 0 0 "[ . 1 . 2]" 1
357 1 23 LYS QB 1 23 LYS QD 2.395 . 2.990 2.363 2.283 2.414 . 0 0 "[ . 1 . 2]" 1
358 1 23 LYS QB 1 23 LYS QE 2.970 . 4.140 1.970 1.769 2.466 0.031 3 0 "[ . 1 . 2]" 1
359 1 23 LYS QB 1 24 VAL H 2.775 . 3.750 3.635 3.187 3.744 . 0 0 "[ . 1 . 2]" 1
360 1 23 LYS QB 1 24 VAL MG1 2.825 . 3.850 3.353 3.044 3.632 . 0 0 "[ . 1 . 2]" 1
361 1 23 LYS QB 1 24 VAL MG2 3.265 . 4.730 4.327 3.968 4.538 . 0 0 "[ . 1 . 2]" 1
362 1 23 LYS QB 1 39 HIS HE1 3.665 . 5.530 5.369 4.192 5.564 0.034 1 0 "[ . 1 . 2]" 1
363 1 23 LYS QD 1 24 VAL H 3.465 . 5.130 4.443 4.062 4.683 . 0 0 "[ . 1 . 2]" 1
364 1 23 LYS QD 1 39 HIS HE1 3.005 . 4.210 3.591 3.307 3.967 . 0 0 "[ . 1 . 2]" 1
365 1 23 LYS QD 1 42 ILE MD 2.915 . 4.030 2.261 2.130 2.388 . 0 0 "[ . 1 . 2]" 1
366 1 23 LYS QD 1 42 ILE HG12 3.190 . 4.580 4.651 4.587 4.712 0.132 8 0 "[ . 1 . 2]" 1
367 1 23 LYS QD 1 43 CYS HA 3.400 . 5.000 3.924 3.442 4.341 . 0 0 "[ . 1 . 2]" 1
368 1 23 LYS QE 1 23 LYS HG2 3.010 . 4.220 3.054 2.301 3.505 . 0 0 "[ . 1 . 2]" 1
369 1 23 LYS QE 1 23 LYS QG 2.725 . 3.650 2.623 2.260 2.879 . 0 0 "[ . 1 . 2]" 1
370 1 23 LYS QE 1 23 LYS HG3 3.010 . 4.220 3.097 2.395 3.542 . 0 0 "[ . 1 . 2]" 1
371 1 23 LYS QG 1 24 VAL H 2.710 . 3.620 2.540 2.261 3.081 . 0 0 "[ . 1 . 2]" 1
372 1 23 LYS QG 1 24 VAL MG1 2.810 . 3.820 1.826 1.715 2.290 0.085 4 0 "[ . 1 . 2]" 1
373 1 23 LYS QG 1 42 ILE MD 3.145 . 4.490 3.375 3.241 3.608 . 0 0 "[ . 1 . 2]" 1
374 1 24 VAL H 1 24 VAL MG1 2.755 . 3.710 2.951 2.836 3.067 . 0 0 "[ . 1 . 2]" 1
375 1 24 VAL H 1 24 VAL MG2 2.515 . 3.230 2.154 2.067 2.263 . 0 0 "[ . 1 . 2]" 1
376 1 24 VAL H 1 39 HIS HE1 3.225 . 4.650 4.342 4.107 4.582 . 0 0 "[ . 1 . 2]" 1
377 1 24 VAL HA 1 24 VAL MG1 2.550 . 3.300 2.350 2.279 2.412 . 0 0 "[ . 1 . 2]" 1
378 1 24 VAL HA 1 24 VAL MG2 2.810 . 3.820 3.208 3.198 3.216 . 0 0 "[ . 1 . 2]" 1
379 1 24 VAL HA 1 25 ASN H 2.295 . 2.790 2.358 2.335 2.390 . 0 0 "[ . 1 . 2]" 1
380 1 24 VAL HA 1 25 ASN HA 3.190 . 4.580 4.426 4.405 4.447 . 0 0 "[ . 1 . 2]" 1
381 1 24 VAL HA 1 25 ASN HB2 3.735 . 5.670 5.511 5.428 5.568 . 0 0 "[ . 1 . 2]" 1
382 1 24 VAL HA 1 25 ASN HB3 3.580 . 5.360 4.955 4.779 5.079 . 0 0 "[ . 1 . 2]" 1
383 1 24 VAL HA 1 25 ASN HD21 3.740 . 5.680 4.873 4.126 5.155 . 0 0 "[ . 1 . 2]" 1
384 1 24 VAL HA 1 25 ASN HD22 3.405 . 5.010 4.477 4.071 4.729 . 0 0 "[ . 1 . 2]" 1
385 1 24 VAL HB 1 25 ASN H 2.480 . 3.160 2.444 2.295 2.529 . 0 0 "[ . 1 . 2]" 1
386 1 24 VAL HB 1 25 ASN HD21 3.660 . 5.520 5.180 4.236 5.542 0.022 12 0 "[ . 1 . 2]" 1
387 1 24 VAL MG1 1 25 ASN H 2.900 . 4.000 3.644 3.496 3.749 . 0 0 "[ . 1 . 2]" 1
388 1 24 VAL MG1 1 39 HIS HE1 2.560 . 3.320 2.974 2.336 3.332 0.012 3 0 "[ . 1 . 2]" 1
389 1 24 VAL MG2 1 25 ASN H 2.715 . 3.630 3.475 3.358 3.586 . 0 0 "[ . 1 . 2]" 1
390 1 24 VAL MG2 1 25 ASN HA 3.275 . 4.750 3.726 3.584 3.924 . 0 0 "[ . 1 . 2]" 1
391 1 24 VAL MG2 1 25 ASN HB3 3.870 . 5.940 5.373 5.251 5.478 . 0 0 "[ . 1 . 2]" 1
392 1 24 VAL MG2 1 26 TYR H 3.740 . 5.680 4.998 4.832 5.132 . 0 0 "[ . 1 . 2]" 1
393 1 24 VAL MG2 1 26 TYR QD 3.675 . 5.110 3.600 3.310 3.816 . 0 0 "[ . 1 . 2]" 1
394 1 24 VAL MG2 1 26 TYR QE 2.830 . 3.860 2.372 1.839 2.621 . 0 0 "[ . 1 . 2]" 1
395 1 24 VAL MG2 1 39 HIS HD2 3.225 . 4.650 4.556 3.621 4.720 0.070 7 0 "[ . 1 . 2]" 1
396 1 24 VAL MG2 1 39 HIS HE1 2.570 . 3.340 2.037 1.876 2.595 . 0 0 "[ . 1 . 2]" 1
397 1 25 ASN H 1 25 ASN HB2 2.700 . 3.600 3.573 3.524 3.673 0.073 5 0 "[ . 1 . 2]" 1
398 1 25 ASN H 1 25 ASN HB3 2.935 . 4.070 3.643 3.549 3.691 . 0 0 "[ . 1 . 2]" 1
399 1 25 ASN H 1 25 ASN HD21 2.920 . 4.040 2.928 2.087 3.194 . 0 0 "[ . 1 . 2]" 1
400 1 25 ASN H 1 25 ASN HD22 3.070 . 4.340 3.316 2.912 3.485 . 0 0 "[ . 1 . 2]" 1
401 1 25 ASN H 1 26 TYR HA 3.845 . 5.890 4.887 4.850 4.920 . 0 0 "[ . 1 . 2]" 1
402 1 25 ASN HA 1 25 ASN HD21 3.000 . 4.200 4.106 3.693 4.191 . 0 0 "[ . 1 . 2]" 1
403 1 25 ASN HA 1 25 ASN HD22 3.520 . 5.240 5.041 4.881 5.094 . 0 0 "[ . 1 . 2]" 1
404 1 25 ASN HA 1 26 TYR H 2.380 . 2.960 2.215 2.163 2.283 . 0 0 "[ . 1 . 2]" 1
405 1 25 ASN HB2 1 25 ASN HD21 2.580 . 3.360 2.358 2.274 2.777 . 0 0 "[ . 1 . 2]" 1
406 1 25 ASN HB2 1 25 ASN HD22 2.770 . 3.740 3.528 3.488 3.714 . 0 0 "[ . 1 . 2]" 1
407 1 25 ASN HB2 1 26 TYR H 2.615 . 3.430 2.849 2.685 2.993 . 0 0 "[ . 1 . 2]" 1
408 1 25 ASN HB3 1 26 TYR H 2.690 . 3.580 3.373 3.191 3.601 0.021 5 0 "[ . 1 . 2]" 1
409 1 25 ASN HD21 1 26 TYR H 3.285 . 4.770 4.519 4.346 4.646 . 0 0 "[ . 1 . 2]" 1
410 1 25 ASN HD21 1 26 TYR HA 3.135 . 4.470 4.542 4.292 4.611 0.141 10 0 "[ . 1 . 2]" 1
411 1 25 ASN HD22 1 26 TYR H 4.020 . 6.240 5.961 5.857 6.055 . 0 0 "[ . 1 . 2]" 1
412 1 26 TYR H 1 26 TYR HB2 2.765 . 3.730 2.680 2.636 2.718 . 0 0 "[ . 1 . 2]" 1
413 1 26 TYR H 1 26 TYR HB3 2.910 . 4.020 3.797 3.776 3.815 . 0 0 "[ . 1 . 2]" 1
414 1 26 TYR H 1 26 TYR QD 3.240 . 4.680 2.874 2.548 2.991 . 0 0 "[ . 1 . 2]" 1
415 1 26 TYR H 1 27 CYS H 3.405 . 5.010 4.349 4.299 4.409 . 0 0 "[ . 1 . 2]" 1
416 1 26 TYR H 1 28 SER H 3.675 . 5.550 5.335 4.921 5.619 0.069 2 0 "[ . 1 . 2]" 1
417 1 26 TYR HA 1 26 TYR QD 2.890 . 3.980 3.026 2.930 3.217 . 0 0 "[ . 1 . 2]" 1
418 1 26 TYR HA 1 27 CYS H 2.475 . 3.150 2.712 2.645 2.751 . 0 0 "[ . 1 . 2]" 1
419 1 26 TYR HA 1 27 CYS QB 3.735 . 5.670 4.158 4.010 4.367 . 0 0 "[ . 1 . 2]" 1
420 1 26 TYR HA 1 28 SER H 3.180 . 4.560 4.353 4.162 4.588 0.028 7 0 "[ . 1 . 2]" 1
421 1 26 TYR HA 1 32 GLN H 4.110 . 6.420 5.969 5.871 6.102 . 0 0 "[ . 1 . 2]" 1
422 1 26 TYR HB2 1 26 TYR QE 3.260 . 4.720 4.415 4.403 4.451 . 0 0 "[ . 1 . 2]" 1
423 1 26 TYR HB2 1 27 CYS H 2.865 . 3.930 3.077 2.952 3.222 . 0 0 "[ . 1 . 2]" 1
424 1 26 TYR HB2 1 28 SER H 2.845 . 3.890 3.424 3.006 3.728 . 0 0 "[ . 1 . 2]" 1
425 1 26 TYR HB2 1 32 GLN H 3.310 . 4.820 4.313 4.101 4.613 . 0 0 "[ . 1 . 2]" 1
426 1 26 TYR HB2 1 32 GLN HB2 3.190 . 4.580 3.602 3.452 4.054 . 0 0 "[ . 1 . 2]" 1
427 1 26 TYR HB3 1 27 CYS H 2.610 . 3.420 1.980 1.873 2.074 . 0 0 "[ . 1 . 2]" 1
428 1 26 TYR HB3 1 28 SER H 2.515 . 3.230 2.656 2.376 2.892 . 0 0 "[ . 1 . 2]" 1
429 1 26 TYR HB3 1 32 GLN HB2 3.170 . 4.540 4.111 3.901 4.548 0.008 14 0 "[ . 1 . 2]" 1
430 1 26 TYR QD 1 27 CYS H 3.795 . 4.730 3.743 3.618 3.874 . 0 0 "[ . 1 . 2]" 1
431 1 26 TYR QD 1 31 CYS HB2 3.355 . 4.910 2.466 1.976 2.934 . 0 0 "[ . 1 . 2]" 1
432 1 26 TYR QD 1 31 CYS HB3 3.100 . 4.400 2.412 2.073 2.987 . 0 0 "[ . 1 . 2]" 1
433 1 26 TYR QD 1 32 GLN H 3.515 . 5.230 3.753 3.421 3.982 . 0 0 "[ . 1 . 2]" 1
434 1 26 TYR QD 1 32 GLN HA 2.880 . 3.960 3.241 2.979 3.407 . 0 0 "[ . 1 . 2]" 1
435 1 26 TYR QD 1 32 GLN HB2 3.315 . 4.830 3.382 3.117 3.702 . 0 0 "[ . 1 . 2]" 1
436 1 26 TYR QD 1 32 GLN HB3 3.235 . 4.670 4.608 3.987 4.758 0.088 10 0 "[ . 1 . 2]" 1
437 1 26 TYR QE 1 32 GLN HA 3.010 . 4.220 2.902 2.641 3.129 . 0 0 "[ . 1 . 2]" 1
438 1 26 TYR QE 1 32 GLN QG 3.590 . 5.380 4.713 4.546 4.939 . 0 0 "[ . 1 . 2]" 1
439 1 26 TYR QE 1 35 ASP H 3.350 . 4.900 3.771 3.420 4.121 . 0 0 "[ . 1 . 2]" 1
440 1 26 TYR QE 1 35 ASP HB2 2.910 . 4.020 2.241 2.055 2.449 . 0 0 "[ . 1 . 2]" 1
441 1 26 TYR QE 1 35 ASP HB3 2.990 . 4.180 2.110 1.847 2.478 . 0 0 "[ . 1 . 2]" 1
442 1 26 TYR QE 1 36 TRP HE3 3.635 . 5.470 5.464 5.165 5.593 0.123 15 0 "[ . 1 . 2]" 1
443 1 27 CYS H 1 27 CYS QB 2.535 . 3.270 2.863 2.811 2.923 . 0 0 "[ . 1 . 2]" 1
444 1 27 CYS H 1 28 SER H 2.585 . 3.370 1.838 1.744 1.963 0.056 13 0 "[ . 1 . 2]" 1
445 1 27 CYS H 1 31 CYS HB2 3.260 . 4.720 2.940 2.726 3.263 . 0 0 "[ . 1 . 2]" 1
446 1 27 CYS H 1 31 CYS HB3 3.330 . 4.860 4.060 3.762 4.322 . 0 0 "[ . 1 . 2]" 1
447 1 27 CYS H 1 32 GLN HA 3.965 . 6.130 6.145 5.971 6.250 0.120 6 0 "[ . 1 . 2]" 1
448 1 28 SER H 1 31 CYS H 3.095 . 4.390 3.673 3.466 3.934 . 0 0 "[ . 1 . 2]" 1
449 1 28 SER H 1 31 CYS HB2 3.190 . 4.580 3.035 2.730 3.496 . 0 0 "[ . 1 . 2]" 1
450 1 28 SER H 1 31 CYS HB3 3.255 . 4.710 4.584 4.257 4.743 0.033 20 0 "[ . 1 . 2]" 1
451 1 28 SER H 1 32 GLN HB2 3.795 . 5.790 5.500 5.208 5.883 0.093 6 0 "[ . 1 . 2]" 1
452 1 28 SER QB 1 30 PHE QD 3.165 . 4.530 4.150 3.327 4.662 0.132 3 0 "[ . 1 . 2]" 1
453 1 28 SER QB 1 31 CYS H 3.490 . 5.180 3.076 2.521 3.780 . 0 0 "[ . 1 . 2]" 1
454 1 28 SER QB 1 32 GLN H 3.445 . 5.090 4.793 4.433 5.154 0.064 11 0 "[ . 1 . 2]" 1
455 1 28 SER HB2 1 30 PHE H 3.135 . 4.470 3.299 2.352 4.250 . 0 0 "[ . 1 . 2]" 1
456 1 28 SER HB2 1 30 PHE QB 3.140 . 4.480 3.490 2.706 4.430 . 0 0 "[ . 1 . 2]" 1
457 1 28 SER HB3 1 30 PHE H 3.135 . 4.470 3.319 2.583 4.168 . 0 0 "[ . 1 . 2]" 1
458 1 28 SER HB3 1 30 PHE QB 3.140 . 4.480 3.417 2.773 4.341 . 0 0 "[ . 1 . 2]" 1
459 1 29 THR HA 1 29 THR MG 2.500 . 3.200 2.332 2.259 2.395 . 0 0 "[ . 1 . 2]" 1
460 1 29 THR HA 1 32 GLN H 2.595 . 3.390 3.286 3.148 3.408 0.018 2 0 "[ . 1 . 2]" 1
461 1 29 THR HA 1 32 GLN HA 3.485 . 5.170 5.066 4.844 5.243 0.073 9 0 "[ . 1 . 2]" 1
462 1 29 THR HA 1 32 GLN HB2 3.095 . 4.390 3.414 3.112 3.879 . 0 0 "[ . 1 . 2]" 1
463 1 29 THR HA 1 32 GLN HB3 2.525 . 3.250 2.286 1.994 2.538 . 0 0 "[ . 1 . 2]" 1
464 1 29 THR HA 1 32 GLN QG 3.060 . 4.320 3.450 2.872 3.847 . 0 0 "[ . 1 . 2]" 1
465 1 29 THR HA 1 33 ARG H 3.130 . 4.460 4.172 3.959 4.485 0.025 13 0 "[ . 1 . 2]" 1
466 1 29 THR HB 1 30 PHE H 3.005 . 4.210 2.956 2.859 3.025 . 0 0 "[ . 1 . 2]" 1
467 1 29 THR HB 1 30 PHE QB 3.140 . 4.480 4.382 4.256 4.493 0.013 16 0 "[ . 1 . 2]" 1
468 1 29 THR HB 1 32 GLN HB3 3.540 . 5.280 4.840 4.621 5.178 . 0 0 "[ . 1 . 2]" 1
469 1 29 THR MG 1 30 PHE H 3.305 . 4.810 3.881 3.802 4.031 . 0 0 "[ . 1 . 2]" 1
470 1 29 THR MG 1 30 PHE HA 3.260 . 4.720 3.962 3.834 4.221 . 0 0 "[ . 1 . 2]" 1
471 1 29 THR MG 1 30 PHE QB 3.730 . 5.660 4.847 4.744 5.025 . 0 0 "[ . 1 . 2]" 1
472 1 29 THR MG 1 31 CYS H 3.810 . 5.820 5.320 5.233 5.467 . 0 0 "[ . 1 . 2]" 1
473 1 29 THR MG 1 32 GLN QG 2.845 . 3.890 2.920 2.389 3.364 . 0 0 "[ . 1 . 2]" 1
474 1 29 THR MG 1 33 ARG H 2.860 . 3.920 3.751 3.504 3.998 0.078 13 0 "[ . 1 . 2]" 1
475 1 29 THR MG 1 33 ARG QD 2.915 . 4.030 3.430 2.234 4.063 0.033 20 0 "[ . 1 . 2]" 1
476 1 30 PHE H 1 30 PHE QB 2.490 . 3.180 2.223 2.153 2.262 . 0 0 "[ . 1 . 2]" 1
477 1 30 PHE H 1 30 PHE QD 3.310 . 4.820 4.147 4.070 4.186 . 0 0 "[ . 1 . 2]" 1
478 1 30 PHE H 1 31 CYS H 2.855 . 3.910 2.818 2.763 2.894 . 0 0 "[ . 1 . 2]" 1
479 1 30 PHE H 1 32 GLN H 3.435 . 5.070 3.996 3.901 4.106 . 0 0 "[ . 1 . 2]" 1
480 1 30 PHE HA 1 30 PHE QD 2.860 . 3.920 2.810 2.639 3.041 . 0 0 "[ . 1 . 2]" 1
481 1 30 PHE HA 1 32 GLN H 3.190 . 4.580 4.303 4.186 4.377 . 0 0 "[ . 1 . 2]" 1
482 1 30 PHE HA 1 33 ARG QB 2.755 . 3.710 3.080 2.781 3.423 . 0 0 "[ . 1 . 2]" 1
483 1 30 PHE QB 1 31 CYS H 2.465 . 3.130 2.508 2.414 2.611 . 0 0 "[ . 1 . 2]" 1
484 1 30 PHE QB 1 33 ARG H 3.575 . 5.350 5.081 4.910 5.188 . 0 0 "[ . 1 . 2]" 1
485 1 30 PHE QB 1 34 LYS H 3.750 . 5.700 5.265 5.089 5.461 . 0 0 "[ . 1 . 2]" 1
486 1 30 PHE QD 1 31 CYS H 2.910 . 4.020 3.045 2.882 3.218 . 0 0 "[ . 1 . 2]" 1
487 1 30 PHE QD 1 31 CYS HA 2.915 . 4.030 3.333 2.826 3.830 . 0 0 "[ . 1 . 2]" 1
488 1 30 PHE QD 1 34 LYS H 3.735 . 5.670 4.829 4.501 5.171 . 0 0 "[ . 1 . 2]" 1
489 1 30 PHE QD 1 34 LYS QB 2.915 . 4.030 3.812 3.430 4.069 0.039 19 0 "[ . 1 . 2]" 1
490 1 30 PHE QD 1 34 LYS QG 3.265 . 4.730 4.404 3.207 4.813 0.083 20 0 "[ . 1 . 2]" 1
491 1 30 PHE QE 1 31 CYS H 3.430 . 5.060 5.088 4.905 5.158 0.098 4 0 "[ . 1 . 2]" 1
492 1 30 PHE QE 1 31 CYS HA 3.085 . 4.370 4.201 4.035 4.376 0.006 1 0 "[ . 1 . 2]" 1
493 1 30 PHE QE 1 34 LYS QB 2.890 . 3.980 3.542 3.243 3.894 . 0 0 "[ . 1 . 2]" 1
494 1 30 PHE QE 1 34 LYS QD 3.700 . 5.600 4.463 2.189 5.246 . 0 0 "[ . 1 . 2]" 1
495 1 30 PHE QE 1 34 LYS QE 3.560 . 5.320 4.642 3.659 5.360 0.040 4 0 "[ . 1 . 2]" 1
496 1 30 PHE QE 1 34 LYS QG 2.705 . 3.610 3.409 2.793 3.684 0.074 3 0 "[ . 1 . 2]" 1
497 1 31 CYS H 1 31 CYS HB2 2.570 . 3.340 2.609 2.373 2.972 . 0 0 "[ . 1 . 2]" 1
498 1 31 CYS H 1 32 GLN H 2.580 . 3.360 2.594 2.534 2.648 . 0 0 "[ . 1 . 2]" 1
499 1 31 CYS H 1 32 GLN HB2 4.070 . 6.340 5.378 5.215 5.854 . 0 0 "[ . 1 . 2]" 1
500 1 31 CYS H 1 32 GLN HB3 3.170 . 4.540 4.477 4.312 4.587 0.047 9 0 "[ . 1 . 2]" 1
501 1 31 CYS H 1 33 ARG H 3.125 . 4.450 4.280 4.201 4.380 . 0 0 "[ . 1 . 2]" 1
502 1 31 CYS HA 1 33 ARG H 3.385 . 4.970 4.402 4.262 4.514 . 0 0 "[ . 1 . 2]" 1
503 1 31 CYS HA 1 34 LYS QB 3.035 . 4.270 2.515 1.936 3.789 . 0 0 "[ . 1 . 2]" 1
504 1 31 CYS HB2 1 32 GLN H 3.330 . 4.860 2.796 2.717 2.912 . 0 0 "[ . 1 . 2]" 1
505 1 31 CYS HB2 1 32 GLN HA 3.455 . 5.110 4.233 3.895 4.524 . 0 0 "[ . 1 . 2]" 1
506 1 31 CYS HB3 1 32 GLN H 3.290 . 4.780 3.858 3.657 4.062 . 0 0 "[ . 1 . 2]" 1
507 1 32 GLN H 1 32 GLN HB2 2.550 . 3.300 2.911 2.786 3.271 . 0 0 "[ . 1 . 2]" 1
508 1 32 GLN H 1 32 GLN HB3 2.300 . 2.800 2.195 2.016 2.280 . 0 0 "[ . 1 . 2]" 1
509 1 32 GLN H 1 33 ARG H 2.540 . 3.280 2.695 2.655 2.749 . 0 0 "[ . 1 . 2]" 1
510 1 32 GLN H 1 33 ARG QB 3.240 . 4.680 4.622 4.383 4.771 0.091 7 0 "[ . 1 . 2]" 1
511 1 32 GLN H 1 34 LYS H 3.360 . 4.920 3.937 3.844 4.183 . 0 0 "[ . 1 . 2]" 1
512 1 32 GLN H 1 35 ASP H 3.320 . 4.840 4.698 4.569 4.839 . 0 0 "[ . 1 . 2]" 1
513 1 32 GLN HA 1 32 GLN QE 2.905 . 4.010 2.976 1.959 3.919 . 0 0 "[ . 1 . 2]" 1
514 1 32 GLN HB2 1 32 GLN QE 3.190 . 4.580 3.273 1.869 4.020 . 0 0 "[ . 1 . 2]" 1
515 1 32 GLN HB2 1 33 ARG H 3.195 . 4.590 3.980 3.935 4.062 . 0 0 "[ . 1 . 2]" 1
516 1 32 GLN HB3 1 33 ARG H 2.425 . 3.050 2.692 2.571 3.140 0.090 14 0 "[ . 1 . 2]" 1
517 1 32 GLN QE 1 32 GLN QG 2.465 . 3.130 2.265 2.116 2.702 . 0 0 "[ . 1 . 2]" 1
518 1 32 GLN QE 1 33 ARG H 3.450 . 5.100 4.558 4.161 4.996 . 0 0 "[ . 1 . 2]" 1
519 1 32 GLN QE 1 33 ARG HA 2.925 . 4.050 4.004 3.695 4.198 0.148 14 0 "[ . 1 . 2]" 1
520 1 32 GLN QE 1 35 ASP HB3 3.380 . 4.960 4.278 3.660 5.006 0.046 9 0 "[ . 1 . 2]" 1
521 1 32 GLN QE 1 36 TRP HA 2.995 . 4.190 4.032 3.721 4.224 0.034 11 0 "[ . 1 . 2]" 1
522 1 32 GLN QE 1 36 TRP HB2 2.785 . 3.770 3.666 3.244 3.869 0.099 6 0 "[ . 1 . 2]" 1
523 1 32 GLN QE 1 36 TRP HE3 3.120 . 4.440 2.561 2.248 2.928 . 0 0 "[ . 1 . 2]" 1
524 1 32 GLN QG 1 33 ARG H 2.995 . 4.190 2.863 2.217 3.078 . 0 0 "[ . 1 . 2]" 1
525 1 33 ARG H 1 33 ARG QB 2.270 . 2.740 2.335 2.179 2.461 . 0 0 "[ . 1 . 2]" 1
526 1 33 ARG H 1 33 ARG QD 3.245 . 4.690 4.114 3.364 4.688 . 0 0 "[ . 1 . 2]" 1
527 1 33 ARG H 1 33 ARG HG2 3.370 . 4.940 3.764 2.315 4.550 . 0 0 "[ . 1 . 2]" 1
528 1 33 ARG H 1 33 ARG QG 3.045 . 4.290 3.036 2.191 3.999 . 0 0 "[ . 1 . 2]" 1
529 1 33 ARG H 1 33 ARG HG3 3.370 . 4.940 3.460 2.220 4.548 . 0 0 "[ . 1 . 2]" 1
530 1 33 ARG H 1 36 TRP H 3.935 . 6.070 4.799 4.712 4.921 . 0 0 "[ . 1 . 2]" 1
531 1 33 ARG H 1 36 TRP HB2 3.655 . 5.510 4.730 4.563 4.919 . 0 0 "[ . 1 . 2]" 1
532 1 33 ARG HA 1 33 ARG QD 2.950 . 4.100 3.761 1.823 4.196 0.096 5 0 "[ . 1 . 2]" 1
533 1 33 ARG HA 1 33 ARG HG2 2.870 . 3.940 2.839 2.295 3.337 . 0 0 "[ . 1 . 2]" 1
534 1 33 ARG HA 1 33 ARG QG 2.535 . 3.270 2.507 2.253 2.977 . 0 0 "[ . 1 . 2]" 1
535 1 33 ARG HA 1 33 ARG HG3 2.870 . 3.940 2.969 2.413 3.726 . 0 0 "[ . 1 . 2]" 1
536 1 33 ARG HA 1 36 TRP H 2.730 . 3.660 3.401 3.229 3.534 . 0 0 "[ . 1 . 2]" 1
537 1 33 ARG HA 1 36 TRP HA 3.300 . 4.800 4.601 4.414 4.738 . 0 0 "[ . 1 . 2]" 1
538 1 33 ARG HA 1 36 TRP HB2 2.990 . 4.180 2.260 2.088 2.398 . 0 0 "[ . 1 . 2]" 1
539 1 33 ARG HA 1 36 TRP HB3 2.865 . 3.930 3.200 2.955 3.501 . 0 0 "[ . 1 . 2]" 1
540 1 33 ARG QB 1 33 ARG QD 2.415 . 3.030 2.300 2.060 2.894 . 0 0 "[ . 1 . 2]" 1
541 1 33 ARG QB 1 34 LYS H 2.580 . 3.360 2.799 2.739 2.912 . 0 0 "[ . 1 . 2]" 1
542 1 33 ARG QB 1 36 TRP H 3.545 . 5.290 4.730 4.503 5.011 . 0 0 "[ . 1 . 2]" 1
543 1 33 ARG QD 1 34 LYS H 3.635 . 5.470 5.048 4.593 5.437 . 0 0 "[ . 1 . 2]" 1
544 1 33 ARG HG2 1 34 LYS H 3.620 . 5.440 4.584 3.722 5.220 . 0 0 "[ . 1 . 2]" 1
545 1 33 ARG HG3 1 34 LYS H 3.620 . 5.440 4.749 4.286 5.237 . 0 0 "[ . 1 . 2]" 1
546 1 34 LYS H 1 34 LYS HB2 2.750 . 3.700 2.731 2.352 3.661 . 0 0 "[ . 1 . 2]" 1
547 1 34 LYS H 1 34 LYS QB 2.500 . 3.200 2.297 2.182 2.631 . 0 0 "[ . 1 . 2]" 1
548 1 34 LYS H 1 34 LYS HB3 2.750 . 3.700 2.545 2.280 2.696 . 0 0 "[ . 1 . 2]" 1
549 1 34 LYS H 1 34 LYS QG 3.470 . 5.140 3.629 2.118 4.050 . 0 0 "[ . 1 . 2]" 1
550 1 34 LYS H 1 35 ASP H 2.545 . 3.290 2.595 2.562 2.650 . 0 0 "[ . 1 . 2]" 1
551 1 34 LYS H 1 35 ASP HB2 3.375 . 4.950 4.898 4.782 4.975 0.025 2 0 "[ . 1 . 2]" 1
552 1 34 LYS H 1 35 ASP HB3 3.685 . 5.570 4.859 4.718 4.987 . 0 0 "[ . 1 . 2]" 1
553 1 34 LYS H 1 36 TRP H 2.975 . 4.150 3.722 3.601 3.812 . 0 0 "[ . 1 . 2]" 1
554 1 34 LYS HA 1 36 TRP H 3.330 . 4.860 3.741 3.600 3.828 . 0 0 "[ . 1 . 2]" 1
555 1 34 LYS QB 1 34 LYS QE 3.260 . 4.720 3.245 1.772 3.827 0.028 1 0 "[ . 1 . 2]" 1
556 1 34 LYS QB 1 35 ASP H 2.585 . 3.370 2.696 2.422 3.489 0.119 1 0 "[ . 1 . 2]" 1
557 1 34 LYS QB 1 35 ASP HA 3.340 . 4.880 4.246 4.087 4.471 . 0 0 "[ . 1 . 2]" 1
558 1 34 LYS QB 1 36 TRP H 3.420 . 5.040 4.404 4.283 4.665 . 0 0 "[ . 1 . 2]" 1
559 1 34 LYS HB2 1 35 ASP H 2.860 . 3.920 3.806 3.691 3.977 0.057 10 0 "[ . 1 . 2]" 1
560 1 34 LYS HB2 1 36 TRP H 3.840 . 5.880 5.258 5.107 5.418 . 0 0 "[ . 1 . 2]" 1
561 1 34 LYS HB3 1 35 ASP H 2.860 . 3.920 2.828 2.451 3.998 0.078 9 0 "[ . 1 . 2]" 1
562 1 34 LYS HB3 1 36 TRP H 3.840 . 5.880 4.759 4.530 5.368 . 0 0 "[ . 1 . 2]" 1
563 1 34 LYS QD 1 35 ASP H 2.915 . 4.030 3.107 1.946 3.856 . 0 0 "[ . 1 . 2]" 1
564 1 34 LYS QD 1 35 ASP HB2 3.310 . 4.820 3.463 2.265 4.133 . 0 0 "[ . 1 . 2]" 1
565 1 34 LYS QD 1 35 ASP HB3 3.500 . 5.200 4.626 3.520 5.335 0.135 12 0 "[ . 1 . 2]" 1
566 1 34 LYS QD 1 36 TRP H 3.910 . 6.020 4.670 4.047 5.809 . 0 0 "[ . 1 . 2]" 1
567 1 34 LYS QE 1 34 LYS QG 2.410 . 3.020 2.276 2.124 2.728 . 0 0 "[ . 1 . 2]" 1
568 1 35 ASP H 1 35 ASP HB2 2.510 . 3.220 2.463 2.343 2.532 . 0 0 "[ . 1 . 2]" 1
569 1 35 ASP H 1 35 ASP HB3 2.540 . 3.280 2.551 2.432 2.669 . 0 0 "[ . 1 . 2]" 1
570 1 35 ASP H 1 36 TRP H 2.550 . 3.300 2.526 2.485 2.559 . 0 0 "[ . 1 . 2]" 1
571 1 35 ASP H 1 36 TRP HB2 3.370 . 4.940 4.536 4.481 4.594 . 0 0 "[ . 1 . 2]" 1
572 1 35 ASP H 1 36 TRP HB3 3.485 . 5.170 5.010 4.910 5.094 . 0 0 "[ . 1 . 2]" 1
573 1 35 ASP HB2 1 36 TRP H 2.975 . 4.150 4.163 4.072 4.231 0.081 16 0 "[ . 1 . 2]" 1
574 1 35 ASP HB3 1 36 TRP H 2.930 . 4.060 3.303 3.239 3.366 . 0 0 "[ . 1 . 2]" 1
575 1 35 ASP HB3 1 36 TRP HB2 3.545 . 5.290 4.834 4.782 4.908 . 0 0 "[ . 1 . 2]" 1
576 1 35 ASP HB3 1 36 TRP HB3 3.935 . 6.070 5.727 5.676 5.784 . 0 0 "[ . 1 . 2]" 1
577 1 36 TRP H 1 36 TRP HB2 2.405 . 3.010 2.452 2.408 2.510 . 0 0 "[ . 1 . 2]" 1
578 1 36 TRP H 1 36 TRP HB3 2.440 . 3.080 2.627 2.575 2.679 . 0 0 "[ . 1 . 2]" 1
579 1 36 TRP H 1 36 TRP HD1 3.580 . 5.360 5.134 5.067 5.184 . 0 0 "[ . 1 . 2]" 1
580 1 36 TRP H 1 37 LYS HB2 4.020 . 6.240 5.040 4.864 5.327 . 0 0 "[ . 1 . 2]" 1
581 1 36 TRP H 1 37 LYS QG 3.550 . 5.300 4.119 3.798 4.558 . 0 0 "[ . 1 . 2]" 1
582 1 36 TRP H 1 39 HIS H 3.455 . 5.110 4.523 4.433 4.694 . 0 0 "[ . 1 . 2]" 1
583 1 36 TRP HA 1 36 TRP HD1 3.170 . 4.540 4.472 4.416 4.497 . 0 0 "[ . 1 . 2]" 1
584 1 36 TRP HA 1 36 TRP HE3 2.620 . 3.440 2.392 2.237 2.500 . 0 0 "[ . 1 . 2]" 1
585 1 36 TRP HA 1 39 HIS H 3.050 . 4.300 3.147 3.051 3.346 . 0 0 "[ . 1 . 2]" 1
586 1 36 TRP HA 1 39 HIS HB2 3.165 . 4.530 3.161 3.012 3.546 . 0 0 "[ . 1 . 2]" 1
587 1 36 TRP HA 1 39 HIS HB3 3.165 . 4.530 1.871 1.762 2.061 0.038 6 0 "[ . 1 . 2]" 1
588 1 36 TRP HA 1 39 HIS HD2 3.040 . 4.280 3.677 3.487 3.817 . 0 0 "[ . 1 . 2]" 1
589 1 36 TRP HA 1 40 GLN H 2.960 . 4.120 3.071 2.978 3.208 . 0 0 "[ . 1 . 2]" 1
590 1 36 TRP HB2 1 36 TRP HD1 2.820 . 3.840 3.664 3.621 3.695 . 0 0 "[ . 1 . 2]" 1
591 1 36 TRP HB2 1 37 LYS H 2.945 . 4.090 4.064 3.988 4.131 0.041 17 0 "[ . 1 . 2]" 1
592 1 36 TRP HB3 1 36 TRP HD1 2.690 . 3.580 2.563 2.552 2.575 . 0 0 "[ . 1 . 2]" 1
593 1 36 TRP HB3 1 36 TRP HE1 3.435 . 5.070 4.763 4.754 4.774 . 0 0 "[ . 1 . 2]" 1
594 1 36 TRP HB3 1 37 LYS H 2.705 . 3.610 2.995 2.869 3.105 . 0 0 "[ . 1 . 2]" 1
595 1 36 TRP HB3 1 40 GLN HE21 3.190 . 4.580 4.078 3.831 4.191 . 0 0 "[ . 1 . 2]" 1
596 1 36 TRP HD1 1 37 LYS H 3.310 . 4.820 4.630 4.488 4.806 . 0 0 "[ . 1 . 2]" 1
597 1 36 TRP HD1 1 37 LYS QG 3.540 . 5.280 4.215 3.690 4.669 . 0 0 "[ . 1 . 2]" 1
598 1 36 TRP HD1 1 40 GLN HB2 3.355 . 4.910 4.871 4.553 4.954 0.044 10 0 "[ . 1 . 2]" 1
599 1 36 TRP HD1 1 40 GLN QB 3.050 . 4.300 3.504 3.277 3.581 . 0 0 "[ . 1 . 2]" 1
600 1 36 TRP HD1 1 40 GLN HB3 3.355 . 4.910 3.592 3.360 3.681 . 0 0 "[ . 1 . 2]" 1
601 1 36 TRP HD1 1 40 GLN HG2 3.715 . 5.630 4.988 4.827 5.169 . 0 0 "[ . 1 . 2]" 1
602 1 36 TRP HE1 1 37 LYS HA 3.965 . 6.130 5.769 5.368 6.045 . 0 0 "[ . 1 . 2]" 1
603 1 36 TRP HE1 1 40 GLN H 3.735 . 5.670 5.488 5.378 5.664 . 0 0 "[ . 1 . 2]" 1
604 1 36 TRP HE1 1 40 GLN HA 3.680 . 5.560 4.857 4.681 5.030 . 0 0 "[ . 1 . 2]" 1
605 1 36 TRP HE1 1 40 GLN HB2 3.310 . 4.820 3.473 3.205 3.572 . 0 0 "[ . 1 . 2]" 1
606 1 36 TRP HE1 1 40 GLN QB 3.015 . 4.230 2.873 2.747 3.013 . 0 0 "[ . 1 . 2]" 1
607 1 36 TRP HE1 1 40 GLN HB3 3.310 . 4.820 3.067 2.929 3.246 . 0 0 "[ . 1 . 2]" 1
608 1 36 TRP HE1 1 40 GLN HE21 3.455 . 5.110 4.148 3.737 4.446 . 0 0 "[ . 1 . 2]" 1
609 1 36 TRP HE1 1 40 GLN HE22 3.200 . 4.600 4.013 3.621 4.353 . 0 0 "[ . 1 . 2]" 1
610 1 36 TRP HE3 1 39 HIS HD2 2.565 . 3.330 2.303 2.082 2.474 . 0 0 "[ . 1 . 2]" 1
611 1 36 TRP HH2 1 40 GLN HA 2.940 . 4.080 3.610 3.418 3.787 . 0 0 "[ . 1 . 2]" 1
612 1 36 TRP HH2 1 40 GLN QB 3.175 . 4.550 4.157 4.085 4.325 . 0 0 "[ . 1 . 2]" 1
613 1 36 TRP HH2 1 43 CYS HB2 3.475 . 5.150 4.400 4.025 4.664 . 0 0 "[ . 1 . 2]" 1
614 1 36 TRP HH2 1 43 CYS HB3 3.355 . 4.910 3.448 2.957 3.759 . 0 0 "[ . 1 . 2]" 1
615 1 36 TRP HZ2 1 40 GLN HB2 3.145 . 4.490 3.344 3.313 3.381 . 0 0 "[ . 1 . 2]" 1
616 1 36 TRP HZ2 1 40 GLN HB3 3.145 . 4.490 3.666 3.477 3.839 . 0 0 "[ . 1 . 2]" 1
617 1 36 TRP HZ2 1 40 GLN HG2 4.035 . 6.270 6.002 5.877 6.127 . 0 0 "[ . 1 . 2]" 1
618 1 36 TRP HZ2 1 40 GLN HG3 3.720 . 5.640 5.724 5.687 5.753 0.113 10 0 "[ . 1 . 2]" 1
619 1 36 TRP HZ3 1 40 GLN HA 3.100 . 4.400 3.825 3.615 4.048 . 0 0 "[ . 1 . 2]" 1
620 1 36 TRP HZ3 1 43 CYS HB2 3.425 . 5.050 3.385 2.976 3.703 . 0 0 "[ . 1 . 2]" 1
621 1 36 TRP HZ3 1 43 CYS HB3 3.015 . 4.230 3.537 3.152 3.792 . 0 0 "[ . 1 . 2]" 1
622 1 37 LYS H 1 37 LYS HB2 2.280 . 2.760 2.520 2.349 2.719 . 0 0 "[ . 1 . 2]" 1
623 1 37 LYS H 1 37 LYS HB3 2.765 . 3.730 3.607 3.584 3.637 . 0 0 "[ . 1 . 2]" 1
624 1 37 LYS H 1 37 LYS QD 3.280 . 4.760 3.845 3.654 4.183 . 0 0 "[ . 1 . 2]" 1
625 1 37 LYS H 1 37 LYS QG 2.660 . 3.520 2.216 1.941 2.562 . 0 0 "[ . 1 . 2]" 1
626 1 37 LYS H 1 38 ASP H 2.595 . 3.390 2.693 2.530 2.880 . 0 0 "[ . 1 . 2]" 1
627 1 37 LYS H 1 38 ASP HB2 3.585 . 5.370 5.156 4.648 5.537 0.167 13 0 "[ . 1 . 2]" 1
628 1 37 LYS H 1 39 HIS H 3.115 . 4.430 3.694 3.579 3.893 . 0 0 "[ . 1 . 2]" 1
629 1 37 LYS H 1 40 GLN H 3.090 . 4.380 4.527 4.502 4.572 0.192 20 0 "[ . 1 . 2]" 1
630 1 37 LYS H 1 40 GLN HE21 3.430 . 5.060 3.875 3.766 4.025 . 0 0 "[ . 1 . 2]" 1
631 1 37 LYS H 1 40 GLN HE22 3.625 . 5.450 5.115 4.876 5.358 . 0 0 "[ . 1 . 2]" 1
632 1 37 LYS HA 1 37 LYS QD 3.190 . 4.580 3.979 2.007 4.301 . 0 0 "[ . 1 . 2]" 1
633 1 37 LYS HA 1 37 LYS QE 3.300 . 4.800 4.432 3.133 4.880 0.080 12 0 "[ . 1 . 2]" 1
634 1 37 LYS HA 1 37 LYS QG 2.630 . 3.460 2.482 2.340 2.735 . 0 0 "[ . 1 . 2]" 1
635 1 37 LYS HA 1 39 HIS H 3.405 . 5.010 4.514 4.436 4.682 . 0 0 "[ . 1 . 2]" 1
636 1 37 LYS HA 1 40 GLN H 3.110 . 4.420 4.063 3.853 4.223 . 0 0 "[ . 1 . 2]" 1
637 1 37 LYS HA 1 40 GLN HE21 2.635 . 3.470 1.792 1.747 1.917 0.053 2 0 "[ . 1 . 2]" 1
638 1 37 LYS HA 1 40 GLN HE22 2.710 . 3.620 2.778 2.675 2.867 . 0 0 "[ . 1 . 2]" 1
639 1 37 LYS HA 1 40 GLN HG2 2.800 . 3.800 3.206 2.805 3.490 . 0 0 "[ . 1 . 2]" 1
640 1 37 LYS HA 1 41 HIS HD2 3.955 . 6.110 5.546 5.407 5.752 . 0 0 "[ . 1 . 2]" 1
641 1 37 LYS HB2 1 37 LYS QE 3.415 . 5.030 3.407 1.959 4.213 . 0 0 "[ . 1 . 2]" 1
642 1 37 LYS HB2 1 38 ASP H 2.650 . 3.500 2.780 2.584 2.974 . 0 0 "[ . 1 . 2]" 1
643 1 37 LYS HB2 1 39 HIS H 3.545 . 5.290 4.758 4.593 4.940 . 0 0 "[ . 1 . 2]" 1
644 1 37 LYS HB2 1 40 GLN HE21 3.325 . 4.850 4.747 4.657 4.802 . 0 0 "[ . 1 . 2]" 1
645 1 37 LYS HB2 1 40 GLN HE22 3.750 . 5.700 5.656 5.439 5.724 0.024 16 0 "[ . 1 . 2]" 1
646 1 37 LYS HB3 1 38 ASP H 2.925 . 4.050 3.768 3.519 3.935 . 0 0 "[ . 1 . 2]" 1
647 1 37 LYS HB3 1 41 HIS HD2 4.150 . 6.500 6.143 5.951 6.492 . 0 0 "[ . 1 . 2]" 1
648 1 37 LYS QD 1 37 LYS QE 2.350 . 2.900 2.050 1.992 2.094 . 0 0 "[ . 1 . 2]" 1
649 1 37 LYS QE 1 37 LYS QG 2.900 . 4.000 2.366 2.124 2.835 . 0 0 "[ . 1 . 2]" 1
650 1 37 LYS QG 1 38 ASP H 3.120 . 4.440 4.126 3.864 4.354 . 0 0 "[ . 1 . 2]" 1
651 1 37 LYS QG 1 39 HIS H 3.715 . 5.630 5.417 5.196 5.658 0.028 19 0 "[ . 1 . 2]" 1
652 1 37 LYS QG 1 40 GLN HE22 3.035 . 4.270 3.745 3.136 4.271 0.001 19 0 "[ . 1 . 2]" 1
653 1 38 ASP H 1 38 ASP HB2 2.350 . 2.900 2.595 2.305 2.842 . 0 0 "[ . 1 . 2]" 1
654 1 38 ASP H 1 38 ASP HB3 2.795 . 3.790 2.813 2.486 3.683 . 0 0 "[ . 1 . 2]" 1
655 1 38 ASP H 1 39 HIS H 2.360 . 2.920 2.114 2.066 2.172 . 0 0 "[ . 1 . 2]" 1
656 1 38 ASP H 1 39 HIS HA 3.330 . 4.860 4.745 4.702 4.849 . 0 0 "[ . 1 . 2]" 1
657 1 38 ASP H 1 39 HIS HB2 3.245 . 4.690 4.181 4.110 4.316 . 0 0 "[ . 1 . 2]" 1
658 1 38 ASP H 1 39 HIS QB 2.930 . 4.060 3.835 3.778 3.894 . 0 0 "[ . 1 . 2]" 1
659 1 38 ASP H 1 39 HIS HB3 3.245 . 4.690 4.464 4.363 4.534 . 0 0 "[ . 1 . 2]" 1
660 1 38 ASP H 1 40 GLN H 2.940 . 4.080 3.935 3.868 3.996 . 0 0 "[ . 1 . 2]" 1
661 1 38 ASP H 1 40 GLN HG2 3.425 . 5.050 4.601 4.352 4.730 . 0 0 "[ . 1 . 2]" 1
662 1 38 ASP HA 1 40 GLN HG2 2.925 . 4.050 4.154 4.116 4.211 0.161 19 0 "[ . 1 . 2]" 1
663 1 38 ASP HA 1 41 HIS HD2 2.510 . 3.220 2.290 2.176 2.482 . 0 0 "[ . 1 . 2]" 1
664 1 38 ASP HB2 1 39 HIS H 2.560 . 3.320 3.571 2.703 3.851 0.531 13 1 "[ . 1 + . 2]" 1
665 1 38 ASP HB2 1 39 HIS HA 3.365 . 4.930 5.098 4.103 5.272 0.342 13 0 "[ . 1 . 2]" 1
666 1 38 ASP HB2 1 41 HIS HD2 3.345 . 4.890 4.755 4.453 5.054 0.164 12 0 "[ . 1 . 2]" 1
667 1 38 ASP HB3 1 39 HIS H 2.915 . 4.030 2.799 2.616 3.822 . 0 0 "[ . 1 . 2]" 1
668 1 38 ASP HB3 1 39 HIS HA 3.355 . 4.910 3.774 3.569 4.429 . 0 0 "[ . 1 . 2]" 1
669 1 39 HIS H 1 39 HIS HB2 2.565 . 3.330 2.378 2.331 2.451 . 0 0 "[ . 1 . 2]" 1
670 1 39 HIS H 1 39 HIS HB3 2.565 . 3.330 2.613 2.506 2.684 . 0 0 "[ . 1 . 2]" 1
671 1 39 HIS H 1 39 HIS HD2 3.615 . 5.430 5.240 5.132 5.307 . 0 0 "[ . 1 . 2]" 1
672 1 39 HIS H 1 40 GLN H 2.640 . 3.480 2.641 2.610 2.678 . 0 0 "[ . 1 . 2]" 1
673 1 39 HIS H 1 40 GLN HE21 4.020 . 6.240 4.874 4.670 5.019 . 0 0 "[ . 1 . 2]" 1
674 1 39 HIS H 1 40 GLN HG2 3.820 . 5.840 4.226 4.107 4.375 . 0 0 "[ . 1 . 2]" 1
675 1 39 HIS H 1 41 HIS H 4.115 . 6.430 4.486 4.399 4.572 . 0 0 "[ . 1 . 2]" 1
676 1 39 HIS H 1 41 HIS HD2 3.280 . 4.760 4.855 4.815 4.924 0.164 5 0 "[ . 1 . 2]" 1
677 1 39 HIS H 1 42 ILE H 3.325 . 4.850 5.003 4.968 5.053 0.203 4 0 "[ . 1 . 2]" 1
678 1 39 HIS H 1 42 ILE HG13 3.550 . 5.300 5.167 4.950 5.339 0.039 4 0 "[ . 1 . 2]" 1
679 1 39 HIS H 1 43 CYS H 4.040 . 6.280 5.691 5.640 5.759 . 0 0 "[ . 1 . 2]" 1
680 1 39 HIS HA 1 39 HIS HE1 3.300 . 4.800 4.786 4.708 4.832 0.032 3 0 "[ . 1 . 2]" 1
681 1 39 HIS HA 1 42 ILE H 2.950 . 4.100 3.247 3.186 3.306 . 0 0 "[ . 1 . 2]" 1
682 1 39 HIS HA 1 42 ILE HB 3.090 . 4.380 4.585 4.562 4.610 0.230 13 0 "[ . 1 . 2]" 1
683 1 39 HIS HA 1 42 ILE MD 3.000 . 4.200 3.703 3.426 3.959 . 0 0 "[ . 1 . 2]" 1
684 1 39 HIS HA 1 42 ILE HG12 3.140 . 4.480 2.434 2.273 2.653 . 0 0 "[ . 1 . 2]" 1
685 1 39 HIS HA 1 42 ILE HG13 2.665 . 3.530 2.459 2.247 2.659 . 0 0 "[ . 1 . 2]" 1
686 1 39 HIS HA 1 43 CYS H 3.330 . 4.860 3.463 3.368 3.626 . 0 0 "[ . 1 . 2]" 1
687 1 39 HIS QB 1 39 HIS HD2 2.645 . 3.490 2.616 2.588 2.641 . 0 0 "[ . 1 . 2]" 1
688 1 39 HIS QB 1 40 GLN H 2.615 . 3.430 2.800 2.753 2.842 . 0 0 "[ . 1 . 2]" 1
689 1 39 HIS HB2 1 40 GLN H 2.900 . 4.000 3.950 3.904 4.034 0.034 4 0 "[ . 1 . 2]" 1
690 1 39 HIS HB3 1 40 GLN H 2.900 . 4.000 2.864 2.813 2.905 . 0 0 "[ . 1 . 2]" 1
691 1 39 HIS HD2 1 43 CYS HB2 2.605 . 3.410 2.963 2.851 3.393 . 0 0 "[ . 1 . 2]" 1
692 1 39 HIS HE1 1 42 ILE MD 2.435 . 3.070 2.405 2.170 2.561 . 0 0 "[ . 1 . 2]" 1
693 1 39 HIS HE1 1 42 ILE HG12 3.180 . 4.560 4.152 3.871 4.528 . 0 0 "[ . 1 . 2]" 1
694 1 39 HIS HE1 1 43 CYS H 3.410 . 5.020 4.964 4.448 5.110 0.090 19 0 "[ . 1 . 2]" 1
695 1 39 HIS HE1 1 43 CYS HA 3.045 . 4.290 4.181 3.533 4.330 0.040 1 0 "[ . 1 . 2]" 1
696 1 40 GLN H 1 40 GLN QB 2.530 . 3.260 2.481 2.437 2.527 . 0 0 "[ . 1 . 2]" 1
697 1 40 GLN H 1 40 GLN HE21 3.070 . 4.340 3.411 3.257 3.511 . 0 0 "[ . 1 . 2]" 1
698 1 40 GLN H 1 40 GLN HE22 3.610 . 5.420 5.031 4.896 5.121 . 0 0 "[ . 1 . 2]" 1
699 1 40 GLN H 1 40 GLN HG2 2.575 . 3.350 2.224 2.113 2.368 . 0 0 "[ . 1 . 2]" 1
700 1 40 GLN H 1 40 GLN HG3 2.900 . 4.000 3.505 3.372 3.641 . 0 0 "[ . 1 . 2]" 1
701 1 40 GLN H 1 41 HIS H 2.870 . 3.940 2.800 2.732 2.838 . 0 0 "[ . 1 . 2]" 1
702 1 40 GLN H 1 42 ILE H 3.025 . 4.250 4.047 4.003 4.105 . 0 0 "[ . 1 . 2]" 1
703 1 40 GLN H 1 43 CYS H 3.430 . 5.060 4.637 4.596 4.687 . 0 0 "[ . 1 . 2]" 1
704 1 40 GLN HA 1 42 ILE H 3.320 . 4.840 4.130 4.000 4.285 . 0 0 "[ . 1 . 2]" 1
705 1 40 GLN HA 1 43 CYS H 2.880 . 3.960 3.663 3.479 3.826 . 0 0 "[ . 1 . 2]" 1
706 1 40 GLN HA 1 43 CYS HB3 2.965 . 4.130 2.944 2.815 3.043 . 0 0 "[ . 1 . 2]" 1
707 1 40 GLN QB 1 40 GLN HE21 2.940 . 4.080 2.687 2.578 2.731 . 0 0 "[ . 1 . 2]" 1
708 1 40 GLN QB 1 40 GLN HE22 3.050 . 4.300 3.557 3.496 3.580 . 0 0 "[ . 1 . 2]" 1
709 1 40 GLN HB2 1 40 GLN HE21 3.310 . 4.820 3.866 3.763 3.926 . 0 0 "[ . 1 . 2]" 1
710 1 40 GLN HB2 1 40 GLN HE22 3.405 . 5.010 4.404 4.316 4.489 . 0 0 "[ . 1 . 2]" 1
711 1 40 GLN HB3 1 40 GLN HE21 3.310 . 4.820 2.741 2.625 2.786 . 0 0 "[ . 1 . 2]" 1
712 1 40 GLN HB3 1 40 GLN HE22 3.405 . 5.010 3.755 3.695 3.787 . 0 0 "[ . 1 . 2]" 1
713 1 40 GLN HE21 1 40 GLN HG2 2.665 . 3.530 2.268 2.252 2.310 . 0 0 "[ . 1 . 2]" 1
714 1 40 GLN HG2 1 41 HIS H 2.910 . 4.020 2.548 2.419 2.714 . 0 0 "[ . 1 . 2]" 1
715 1 40 GLN HG2 1 41 HIS HD2 3.115 . 4.430 3.898 3.661 4.141 . 0 0 "[ . 1 . 2]" 1
716 1 40 GLN HG2 1 42 ILE H 3.445 . 5.090 4.833 4.721 4.979 . 0 0 "[ . 1 . 2]" 1
717 1 40 GLN HG3 1 41 HIS H 3.020 . 4.240 2.545 2.415 2.728 . 0 0 "[ . 1 . 2]" 1
718 1 40 GLN HG3 1 41 HIS HA 3.160 . 4.520 3.547 3.454 3.691 . 0 0 "[ . 1 . 2]" 1
719 1 40 GLN HG3 1 41 HIS HD2 3.565 . 5.330 4.314 3.995 4.604 . 0 0 "[ . 1 . 2]" 1
720 1 40 GLN HG3 1 42 ILE H 3.445 . 5.090 4.862 4.745 4.978 . 0 0 "[ . 1 . 2]" 1
721 1 41 HIS H 1 41 HIS HB2 2.995 . 4.190 3.673 3.658 3.696 . 0 0 "[ . 1 . 2]" 1
722 1 41 HIS H 1 41 HIS QB 2.700 . 3.600 2.520 2.482 2.564 . 0 0 "[ . 1 . 2]" 1
723 1 41 HIS H 1 41 HIS HB3 2.995 . 4.190 2.567 2.525 2.614 . 0 0 "[ . 1 . 2]" 1
724 1 41 HIS H 1 41 HIS HD2 3.090 . 4.380 2.846 2.621 2.993 . 0 0 "[ . 1 . 2]" 1
725 1 41 HIS H 1 42 ILE H 2.730 . 3.660 2.469 2.440 2.507 . 0 0 "[ . 1 . 2]" 1
726 1 41 HIS H 1 42 ILE HB 3.995 . 6.190 6.039 5.995 6.073 . 0 0 "[ . 1 . 2]" 1
727 1 41 HIS H 1 43 CYS H 3.390 . 4.980 4.173 4.094 4.240 . 0 0 "[ . 1 . 2]" 1
728 1 41 HIS HA 1 41 HIS HD2 3.450 . 5.100 4.714 4.617 4.769 . 0 0 "[ . 1 . 2]" 1
729 1 41 HIS HA 1 42 ILE MG 3.165 . 4.530 4.568 4.536 4.607 0.077 9 0 "[ . 1 . 2]" 1
730 1 41 HIS QB 1 41 HIS HD2 2.510 . 3.220 2.688 2.662 2.713 . 0 0 "[ . 1 . 2]" 1
731 1 41 HIS QB 1 42 ILE H 2.750 . 3.700 3.724 3.696 3.748 0.048 8 0 "[ . 1 . 2]" 1
732 1 41 HIS HB2 1 41 HIS HD2 2.860 . 3.920 3.846 3.819 3.874 . 0 0 "[ . 1 . 2]" 1
733 1 41 HIS HB2 1 42 ILE H 3.050 . 4.300 4.250 4.197 4.287 . 0 0 "[ . 1 . 2]" 1
734 1 41 HIS HB2 1 42 ILE MG 3.110 . 4.420 4.370 4.322 4.409 . 0 0 "[ . 1 . 2]" 1
735 1 41 HIS HB3 1 41 HIS HD2 2.860 . 3.920 2.744 2.717 2.771 . 0 0 "[ . 1 . 2]" 1
736 1 41 HIS HB3 1 42 ILE H 3.050 . 4.300 4.117 4.084 4.154 . 0 0 "[ . 1 . 2]" 1
737 1 41 HIS HB3 1 42 ILE MG 3.110 . 4.420 4.452 4.414 4.477 0.057 14 0 "[ . 1 . 2]" 1
738 1 41 HIS HD2 1 42 ILE HB 4.150 . 6.500 6.578 6.543 6.629 0.129 20 0 "[ . 1 . 2]" 1
739 1 41 HIS HD2 1 42 ILE MG 2.895 . 3.990 3.521 3.434 3.613 . 0 0 "[ . 1 . 2]" 1
740 1 41 HIS HE1 1 42 ILE H 3.390 . 4.980 4.941 4.855 5.010 0.030 19 0 "[ . 1 . 2]" 1
741 1 41 HIS HE1 1 42 ILE HG12 3.790 . 5.780 5.864 5.828 5.885 0.105 17 0 "[ . 1 . 2]" 1
742 1 41 HIS HE1 1 42 ILE MG 3.110 . 4.420 2.472 2.428 2.555 . 0 0 "[ . 1 . 2]" 1
743 1 42 ILE H 1 42 ILE HB 2.750 . 3.700 3.664 3.639 3.685 . 0 0 "[ . 1 . 2]" 1
744 1 42 ILE H 1 42 ILE MD 2.940 . 4.080 4.047 3.953 4.112 0.032 5 0 "[ . 1 . 2]" 1
745 1 42 ILE H 1 42 ILE HG12 2.870 . 3.940 3.639 3.524 3.794 . 0 0 "[ . 1 . 2]" 1
746 1 42 ILE H 1 42 ILE HG13 2.565 . 3.330 2.710 2.555 2.868 . 0 0 "[ . 1 . 2]" 1
747 1 42 ILE H 1 42 ILE MG 2.670 . 3.540 1.914 1.836 2.022 . 0 0 "[ . 1 . 2]" 1
748 1 42 ILE H 1 43 CYS H 2.310 . 2.820 2.340 2.287 2.385 . 0 0 "[ . 1 . 2]" 1
749 1 42 ILE H 1 43 CYS HA 3.375 . 4.950 4.985 4.927 5.028 0.078 2 0 "[ . 1 . 2]" 1
750 1 42 ILE H 1 43 CYS HB2 3.060 . 4.320 4.310 4.261 4.354 0.034 13 0 "[ . 1 . 2]" 1
751 1 42 ILE HA 1 42 ILE HB 2.395 . 2.990 2.295 2.271 2.323 . 0 0 "[ . 1 . 2]" 1
752 1 42 ILE HA 1 42 ILE MD 2.620 . 3.440 3.478 3.401 3.534 0.094 14 0 "[ . 1 . 2]" 1
753 1 42 ILE HA 1 42 ILE MG 2.500 . 3.200 2.599 2.534 2.666 . 0 0 "[ . 1 . 2]" 1
754 1 42 ILE HB 1 42 ILE MD 2.375 . 2.950 2.267 2.243 2.286 . 0 0 "[ . 1 . 2]" 1
755 1 42 ILE HB 1 43 CYS H 3.355 . 4.910 3.937 3.873 4.029 . 0 0 "[ . 1 . 2]" 1
756 1 42 ILE MD 1 43 CYS H 2.925 . 4.050 2.955 2.788 3.070 . 0 0 "[ . 1 . 2]" 1
757 1 42 ILE MD 1 43 CYS HA 3.245 . 4.690 2.505 2.326 2.615 . 0 0 "[ . 1 . 2]" 1
758 1 42 ILE MD 1 43 CYS HB2 3.495 . 5.190 3.568 3.359 3.722 . 0 0 "[ . 1 . 2]" 1
759 1 42 ILE MD 1 44 GLY H 3.665 . 5.530 3.777 3.595 3.912 . 0 0 "[ . 1 . 2]" 1
760 1 42 ILE MD 1 45 GLN H 3.460 . 5.120 4.051 3.656 5.136 0.016 19 0 "[ . 1 . 2]" 1
761 1 42 ILE HG12 1 43 CYS H 2.850 . 3.900 3.506 3.449 3.625 . 0 0 "[ . 1 . 2]" 1
762 1 42 ILE HG12 1 43 CYS HA 3.245 . 4.690 4.766 4.645 4.846 0.156 11 0 "[ . 1 . 2]" 1
763 1 42 ILE HG13 1 43 CYS H 2.895 . 3.990 1.782 1.730 1.909 0.070 2 0 "[ . 1 . 2]" 1
764 1 42 ILE HG13 1 43 CYS HA 3.245 . 4.690 3.345 3.224 3.473 . 0 0 "[ . 1 . 2]" 1
765 1 42 ILE HG13 1 43 CYS HB3 3.245 . 4.690 4.247 4.180 4.308 . 0 0 "[ . 1 . 2]" 1
766 1 42 ILE MG 1 43 CYS H 3.210 . 4.620 3.409 3.303 3.539 . 0 0 "[ . 1 . 2]" 1
767 1 42 ILE MG 1 43 CYS HA 3.570 . 5.340 5.238 5.138 5.298 . 0 0 "[ . 1 . 2]" 1
768 1 43 CYS H 1 43 CYS HB2 2.530 . 3.260 2.214 2.180 2.253 . 0 0 "[ . 1 . 2]" 1
769 1 43 CYS H 1 43 CYS HB3 2.495 . 3.190 2.746 2.677 2.791 . 0 0 "[ . 1 . 2]" 1
770 1 43 CYS H 1 44 GLY H 3.180 . 4.560 4.473 4.452 4.499 . 0 0 "[ . 1 . 2]" 1
771 1 43 CYS H 1 45 GLN H 4.150 . 6.500 5.278 4.849 6.224 . 0 0 "[ . 1 . 2]" 1
772 1 43 CYS HA 1 44 GLY H 2.405 . 3.010 2.101 2.053 2.149 . 0 0 "[ . 1 . 2]" 1
773 1 43 CYS HA 1 44 GLY QA 3.155 . 4.510 3.904 3.883 3.926 . 0 0 "[ . 1 . 2]" 1
774 1 43 CYS HA 1 45 GLN H 3.505 . 5.210 3.693 3.348 4.874 . 0 0 "[ . 1 . 2]" 1
775 1 43 CYS HB2 1 44 GLY H 3.150 . 4.500 4.357 4.324 4.421 . 0 0 "[ . 1 . 2]" 1
776 1 43 CYS HB3 1 44 GLY H 2.945 . 4.090 4.087 4.029 4.133 0.043 14 0 "[ . 1 . 2]" 1
777 1 43 CYS HB3 1 44 GLY HA2 3.510 . 5.220 4.988 4.759 5.247 0.027 13 0 "[ . 1 . 2]" 1
778 1 43 CYS HB3 1 44 GLY HA3 3.510 . 5.220 4.772 4.537 5.016 . 0 0 "[ . 1 . 2]" 1
779 1 44 GLY H 1 44 GLY QA 2.190 . 2.580 2.418 2.303 2.474 . 0 0 "[ . 1 . 2]" 1
780 1 44 GLY H 1 45 GLN H 2.710 . 3.620 2.385 1.921 3.373 . 0 0 "[ . 1 . 2]" 1
781 1 44 GLY H 1 45 GLN HA 3.480 . 5.160 4.604 4.121 5.032 . 0 0 "[ . 1 . 2]" 1
782 1 44 GLY H 1 45 GLN QE 4.035 . 6.270 5.445 3.064 6.348 0.078 9 0 "[ . 1 . 2]" 1
783 1 44 GLY QA 1 45 GLN QB 3.590 . 5.380 4.448 3.852 4.745 . 0 0 "[ . 1 . 2]" 1
784 1 44 GLY QA 1 45 GLN QG 3.250 . 4.700 3.900 3.133 4.685 . 0 0 "[ . 1 . 2]" 1
785 1 45 GLN H 1 45 GLN QB 2.560 . 3.320 2.654 2.382 3.397 0.077 11 0 "[ . 1 . 2]" 1
786 1 45 GLN H 1 45 GLN QE 3.615 . 5.430 3.704 2.418 5.195 . 0 0 "[ . 1 . 2]" 1
787 1 45 GLN H 1 45 GLN QG 2.795 . 3.790 2.376 1.720 3.202 0.080 19 0 "[ . 1 . 2]" 1
788 1 45 GLN HA 1 45 GLN QE 3.205 . 4.610 3.743 2.432 4.682 0.072 7 0 "[ . 1 . 2]" 1
789 1 45 GLN HA 1 45 GLN QG 2.825 . 3.850 2.871 2.385 3.471 . 0 0 "[ . 1 . 2]" 1
790 1 45 GLN QE 1 46 SER H 4.035 . 6.270 5.196 2.987 6.314 0.044 19 0 "[ . 1 . 2]" 1
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