NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637311 |
6o3q   |
30579 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6o3q
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 600
_Distance_constraint_stats_list.Viol_count 772
_Distance_constraint_stats_list.Viol_total 566.053
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0367
_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 1 ARG 0.005 0.005 16 0 "[ . 1 . 2]"
1 2 GLY 0.225 0.087 8 0 "[ . 1 . 2]"
1 3 PRO 0.927 0.145 7 0 "[ . 1 . 2]"
1 4 ASP 2.228 0.195 16 0 "[ . 1 . 2]"
1 5 LYS 1.683 0.195 16 0 "[ . 1 . 2]"
1 6 SER 0.416 0.073 1 0 "[ . 1 . 2]"
1 7 TYR 1.487 0.103 9 0 "[ . 1 . 2]"
1 8 LYS 1.050 0.082 7 0 "[ . 1 . 2]"
1 9 ARG 0.152 0.050 18 0 "[ . 1 . 2]"
1 10 LEU 3.803 0.165 13 0 "[ . 1 . 2]"
1 11 GLN 1.272 0.103 9 0 "[ . 1 . 2]"
1 12 GLU 0.491 0.127 13 0 "[ . 1 . 2]"
1 13 CYS 1.511 0.165 13 0 "[ . 1 . 2]"
1 14 GLN 1.278 0.080 20 0 "[ . 1 . 2]"
1 15 ARG 1.974 0.195 20 0 "[ . 1 . 2]"
1 16 ARG 1.806 0.116 17 0 "[ . 1 . 2]"
1 17 CYS 1.279 0.066 9 0 "[ . 1 . 2]"
1 18 GLN 3.891 0.128 1 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 1.216 0.111 10 0 "[ . 1 . 2]"
1 21 GLN 1.096 0.065 7 0 "[ . 1 . 2]"
1 22 GLN 1.109 0.080 9 0 "[ . 1 . 2]"
1 23 GLY 0.881 0.080 9 0 "[ . 1 . 2]"
1 24 GLN 0.061 0.021 7 0 "[ . 1 . 2]"
1 25 ARG 1.576 0.140 8 0 "[ . 1 . 2]"
1 26 LEU 3.040 0.102 1 0 "[ . 1 . 2]"
1 27 GLN 0.045 0.015 1 0 "[ . 1 . 2]"
1 28 GLU 0.374 0.067 6 0 "[ . 1 . 2]"
1 29 CYS 0.367 0.027 11 0 "[ . 1 . 2]"
1 30 GLN 2.529 0.102 1 0 "[ . 1 . 2]"
1 31 GLN 0.029 0.029 1 0 "[ . 1 . 2]"
1 32 ARG 0.141 0.064 10 0 "[ . 1 . 2]"
1 33 CYS 0.064 0.064 10 0 "[ . 1 . 2]"
1 34 GLN 0.721 0.081 4 0 "[ . 1 . 2]"
1 35 GLN 0.628 0.171 9 0 "[ . 1 . 2]"
1 36 GLU 1.042 0.154 6 0 "[ . 1 . 2]"
1 37 TYR 2.054 0.154 6 0 "[ . 1 . 2]"
1 38 GLN 0.347 0.049 9 0 "[ . 1 . 2]"
1 39 ARG 0.189 0.032 9 0 "[ . 1 . 2]"
1 40 GLU 0.256 0.056 19 0 "[ . 1 . 2]"
1 41 LYS 1.078 0.090 12 0 "[ . 1 . 2]"
1 42 GLY 0.203 0.090 12 0 "[ . 1 . 2]"
1 43 GLN 0.031 0.022 13 0 "[ . 1 . 2]"
1 44 HIS 0.186 0.094 17 0 "[ . 1 . 2]"
1 45 GLN 0.766 0.094 7 0 "[ . 1 . 2]"
1 46 GLY 0.002 0.002 14 0 "[ . 1 . 2]"
1 47 GLU 0.737 0.134 15 0 "[ . 1 . 2]"
1 48 THR 0.544 0.134 15 0 "[ . 1 . 2]"
1 49 ASN 0.120 0.032 14 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 48 THR H 1 48 THR HB 2.730 . 3.660 2.914 2.540 3.602 . 0 0 "[ . 1 . 2]" 1
2 1 48 THR H 1 48 THR MG 3.270 . 4.740 2.940 1.887 3.947 . 0 0 "[ . 1 . 2]" 1
3 1 47 GLU HA 1 48 THR H 2.450 . 3.100 2.672 2.099 3.234 0.134 15 0 "[ . 1 . 2]" 1
4 1 24 GLN QG 1 25 ARG H 3.210 . 4.620 3.963 3.445 4.525 . 0 0 "[ . 1 . 2]" 1
5 1 47 GLU H 1 47 GLU QG 3.315 . 4.830 2.674 1.947 3.912 . 0 0 "[ . 1 . 2]" 1
6 1 46 GLY QA 1 47 GLU H 2.360 . 2.920 2.315 2.066 2.922 0.002 14 0 "[ . 1 . 2]" 1
7 1 44 HIS H 1 44 HIS HB2 2.820 . 3.840 2.858 2.346 3.796 . 0 0 "[ . 1 . 2]" 1
8 1 44 HIS H 1 44 HIS HB3 2.820 . 3.840 3.286 2.577 3.934 0.094 17 0 "[ . 1 . 2]" 1
9 1 45 GLN H 1 45 GLN HG2 3.315 . 4.830 3.904 2.628 4.893 0.063 16 0 "[ . 1 . 2]" 1
10 1 46 GLY H 1 46 GLY QA 2.200 . 2.600 2.317 2.172 2.482 . 0 0 "[ . 1 . 2]" 1
11 1 10 LEU H 1 10 LEU HB3 2.190 . 2.580 2.425 2.327 2.526 . 0 0 "[ . 1 . 2]" 1
12 1 10 LEU H 1 10 LEU HB2 2.330 . 2.860 2.581 2.451 2.666 . 0 0 "[ . 1 . 2]" 1
13 1 48 THR HB 1 49 ASN H 3.170 . 4.540 3.759 2.084 4.552 0.012 18 0 "[ . 1 . 2]" 1
14 1 43 GLN H 1 43 GLN QG 2.525 . 3.250 2.471 1.796 3.272 0.022 13 0 "[ . 1 . 2]" 1
15 1 41 LYS HA 1 42 GLY H 2.685 . 3.570 3.433 3.139 3.560 . 0 0 "[ . 1 . 2]" 1
16 1 41 LYS H 1 41 LYS QG 2.410 . 3.020 2.277 1.997 2.562 . 0 0 "[ . 1 . 2]" 1
17 1 43 GLN HA 1 44 HIS H 2.300 . 2.800 2.259 2.094 2.570 . 0 0 "[ . 1 . 2]" 1
18 1 39 ARG H 1 39 ARG HA 2.330 . 2.860 2.852 2.803 2.892 0.032 9 0 "[ . 1 . 2]" 1
19 1 39 ARG H 1 39 ARG QB 2.230 . 2.660 2.442 2.308 2.672 0.012 9 0 "[ . 1 . 2]" 1
20 1 41 LYS QB 1 42 GLY H 2.690 . 3.580 3.106 2.316 3.670 0.090 12 0 "[ . 1 . 2]" 1
21 1 46 GLY H 1 47 GLU H 3.650 . 5.500 3.608 1.890 4.589 . 0 0 "[ . 1 . 2]" 1
22 1 41 LYS H 1 42 GLY H 2.430 . 3.060 2.469 2.173 2.796 . 0 0 "[ . 1 . 2]" 1
23 1 38 GLN H 1 38 GLN HG2 2.905 . 4.010 3.267 2.275 3.788 . 0 0 "[ . 1 . 2]" 1
24 1 38 GLN H 1 38 GLN HB2 2.885 . 3.970 2.485 2.379 2.625 . 0 0 "[ . 1 . 2]" 1
25 1 38 GLN H 1 38 GLN HB3 2.885 . 3.970 3.609 3.581 3.645 . 0 0 "[ . 1 . 2]" 1
26 1 37 TYR H 1 37 TYR HB2 2.275 . 2.750 2.606 2.495 2.760 0.010 6 0 "[ . 1 . 2]" 1
27 1 37 TYR H 1 37 TYR HB3 2.275 . 2.750 2.483 2.335 2.655 . 0 0 "[ . 1 . 2]" 1
28 1 38 GLN H 1 38 GLN HA 2.355 . 2.910 2.834 2.796 2.864 . 0 0 "[ . 1 . 2]" 1
29 1 45 GLN H 1 46 GLY H 3.650 . 5.500 3.634 2.117 4.603 . 0 0 "[ . 1 . 2]" 1
30 1 23 GLY H 1 23 GLY HA2 2.110 . 2.420 2.292 2.266 2.326 . 0 0 "[ . 1 . 2]" 1
31 1 24 GLN H 1 24 GLN QG 3.025 . 4.250 3.357 2.151 4.056 . 0 0 "[ . 1 . 2]" 1
32 1 23 GLY H 1 24 GLN H 3.270 . 4.740 4.513 4.408 4.605 . 0 0 "[ . 1 . 2]" 1
33 1 24 GLN H 1 25 ARG H 2.340 . 2.880 2.539 2.401 2.718 . 0 0 "[ . 1 . 2]" 1
34 1 25 ARG H 1 25 ARG HG2 2.615 . 3.430 2.451 1.924 3.452 0.022 3 0 "[ . 1 . 2]" 1
35 1 25 ARG H 1 25 ARG HG3 2.615 . 3.430 3.203 2.176 3.534 0.104 11 0 "[ . 1 . 2]" 1
36 1 23 GLY HA2 1 24 GLN H 2.525 . 3.250 3.140 2.959 3.257 0.007 16 0 "[ . 1 . 2]" 1
37 1 22 GLN H 1 23 GLY H 3.155 . 4.510 4.283 4.207 4.372 . 0 0 "[ . 1 . 2]" 1
38 1 22 GLN H 1 22 GLN HG3 2.800 . 3.800 3.179 2.787 3.454 . 0 0 "[ . 1 . 2]" 1
39 1 21 GLN HB3 1 22 GLN H 2.325 . 2.850 2.410 2.151 2.694 . 0 0 "[ . 1 . 2]" 1
40 1 22 GLN HA 1 23 GLY H 2.180 . 2.560 2.367 2.220 2.487 . 0 0 "[ . 1 . 2]" 1
41 1 22 GLN HB2 1 23 GLY H 2.700 . 3.600 2.402 2.245 3.638 0.038 16 0 "[ . 1 . 2]" 1
42 1 22 GLN HB3 1 23 GLY H 2.700 . 3.600 3.597 2.700 3.680 0.080 9 0 "[ . 1 . 2]" 1
43 1 34 GLN H 1 34 GLN HB2 2.200 . 2.600 2.443 2.308 2.551 . 0 0 "[ . 1 . 2]" 1
44 1 34 GLN QG 1 35 GLN H 3.150 . 4.500 4.077 3.833 4.254 . 0 0 "[ . 1 . 2]" 1
45 1 26 LEU H 1 26 LEU HA 2.340 . 2.880 2.833 2.815 2.851 . 0 0 "[ . 1 . 2]" 1
46 1 26 LEU H 1 26 LEU HB2 2.365 . 2.930 2.760 2.703 2.813 . 0 0 "[ . 1 . 2]" 1
47 1 25 ARG H 1 26 LEU H 2.365 . 2.930 2.593 2.395 2.744 . 0 0 "[ . 1 . 2]" 1
48 1 26 LEU H 1 27 GLN H 2.300 . 2.800 2.605 2.494 2.760 . 0 0 "[ . 1 . 2]" 1
49 1 27 GLN H 1 27 GLN QG 2.620 . 3.440 2.155 1.977 2.314 . 0 0 "[ . 1 . 2]" 1
50 1 27 GLN H 1 28 GLU H 2.355 . 2.910 2.769 2.627 2.924 0.014 10 0 "[ . 1 . 2]" 1
51 1 28 GLU H 1 28 GLU HG2 2.675 . 3.550 2.884 2.114 3.483 . 0 0 "[ . 1 . 2]" 1
52 1 28 GLU H 1 28 GLU HG3 2.675 . 3.550 2.765 2.064 3.617 0.067 6 0 "[ . 1 . 2]" 1
53 1 44 HIS H 1 45 GLN H 2.745 . 3.690 2.608 1.882 3.770 0.080 10 0 "[ . 1 . 2]" 1
54 1 21 GLN HA 1 22 GLN H 2.325 . 2.850 2.425 2.263 2.523 . 0 0 "[ . 1 . 2]" 1
55 1 20 GLU H 1 20 GLU HG2 2.560 . 3.320 3.111 1.909 3.399 0.079 9 0 "[ . 1 . 2]" 1
56 1 20 GLU H 1 20 GLU HB3 2.770 . 3.740 3.561 3.492 3.634 . 0 0 "[ . 1 . 2]" 1
57 1 20 GLU H 1 20 GLU HB2 2.255 . 2.710 2.449 2.299 2.535 . 0 0 "[ . 1 . 2]" 1
58 1 21 GLN H 1 21 GLN HB3 2.840 . 3.880 3.761 3.719 3.801 . 0 0 "[ . 1 . 2]" 1
59 1 21 GLN H 1 21 GLN HB2 2.405 . 3.010 2.654 2.566 2.777 . 0 0 "[ . 1 . 2]" 1
60 1 22 GLN H 1 22 GLN HG2 2.800 . 3.800 2.682 2.365 3.856 0.056 16 0 "[ . 1 . 2]" 1
61 1 19 SER H 1 19 SER HB2 2.450 . 3.100 2.571 2.474 2.868 . 0 0 "[ . 1 . 2]" 1
62 1 21 GLN HB2 1 22 GLN H 2.720 . 3.640 3.506 3.204 3.670 0.030 16 0 "[ . 1 . 2]" 1
63 1 20 GLU H 1 20 GLU HG3 2.560 . 3.320 2.470 2.115 3.431 0.111 10 0 "[ . 1 . 2]" 1
64 1 20 GLU H 1 21 GLN H 2.175 . 2.550 2.493 2.364 2.563 0.013 10 0 "[ . 1 . 2]" 1
65 1 19 SER H 1 20 GLU H 2.275 . 2.750 2.302 2.061 2.577 . 0 0 "[ . 1 . 2]" 1
66 1 28 GLU H 1 29 CYS H 2.330 . 2.860 2.686 2.557 2.820 . 0 0 "[ . 1 . 2]" 1
67 1 29 CYS H 1 29 CYS HA 2.370 . 2.940 2.793 2.768 2.823 . 0 0 "[ . 1 . 2]" 1
68 1 29 CYS H 1 29 CYS HB3 2.410 . 3.020 2.620 2.563 2.685 . 0 0 "[ . 1 . 2]" 1
69 1 29 CYS H 1 29 CYS HB2 2.190 . 2.580 2.408 2.366 2.470 . 0 0 "[ . 1 . 2]" 1
70 1 30 GLN H 1 30 GLN HA 2.355 . 2.910 2.826 2.805 2.851 . 0 0 "[ . 1 . 2]" 1
71 1 29 CYS H 1 30 GLN H 2.415 . 3.030 2.853 2.713 2.951 . 0 0 "[ . 1 . 2]" 1
72 1 29 CYS HB3 1 30 GLN H 2.345 . 2.890 2.367 2.279 2.454 . 0 0 "[ . 1 . 2]" 1
73 1 19 SER HB2 1 20 GLU H 2.895 . 3.990 2.899 2.362 3.940 . 0 0 "[ . 1 . 2]" 1
74 1 19 SER HB3 1 20 GLU H 2.895 . 3.990 3.332 2.409 3.818 . 0 0 "[ . 1 . 2]" 1
75 1 14 GLN HB2 1 15 ARG H 3.060 . 4.320 3.335 2.550 3.942 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLU HB3 1 21 GLN H 3.275 . 4.750 4.054 3.968 4.233 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLU HB2 1 21 GLN H 2.670 . 3.540 3.075 2.967 3.304 . 0 0 "[ . 1 . 2]" 1
78 1 18 GLN H 1 18 GLN HG2 2.525 . 3.250 3.130 1.927 3.378 0.128 1 0 "[ . 1 . 2]" 1
79 1 18 GLN H 1 19 SER H 3.650 . 5.500 2.577 2.408 2.660 . 0 0 "[ . 1 . 2]" 1
80 1 17 CYS HA 1 18 GLN H 2.680 . 3.560 3.520 3.500 3.540 . 0 0 "[ . 1 . 2]" 1
81 1 17 CYS H 1 18 GLN H 2.390 . 2.980 2.791 2.667 2.901 . 0 0 "[ . 1 . 2]" 1
82 1 38 GLN H 1 38 GLN HG3 2.905 . 4.010 2.562 2.039 3.749 . 0 0 "[ . 1 . 2]" 1
83 1 37 TYR H 1 38 GLN H 2.370 . 2.940 2.843 2.727 2.935 . 0 0 "[ . 1 . 2]" 1
84 1 7 TYR H 1 7 TYR HB2 2.385 . 2.970 2.552 2.447 2.646 . 0 0 "[ . 1 . 2]" 1
85 1 7 TYR H 1 7 TYR HB3 2.420 . 3.040 2.631 2.521 2.721 . 0 0 "[ . 1 . 2]" 1
86 1 8 LYS H 1 8 LYS QB 2.105 . 2.410 2.305 2.152 2.484 0.074 17 0 "[ . 1 . 2]" 1
87 1 8 LYS H 1 8 LYS QD 3.200 . 4.600 4.192 3.628 4.627 0.027 12 0 "[ . 1 . 2]" 1
88 1 41 LYS H 1 41 LYS QD 3.490 . 5.180 3.923 3.500 4.458 . 0 0 "[ . 1 . 2]" 1
89 1 36 GLU H 1 36 GLU HB2 2.260 . 2.720 2.378 2.184 2.489 . 0 0 "[ . 1 . 2]" 1
90 1 30 GLN HA 1 31 GLN H 2.680 . 3.560 3.488 3.437 3.529 . 0 0 "[ . 1 . 2]" 1
91 1 31 GLN H 1 31 GLN HB2 2.480 . 3.160 2.517 2.430 2.616 . 0 0 "[ . 1 . 2]" 1
92 1 31 GLN H 1 31 GLN HB3 2.480 . 3.160 2.506 2.359 2.592 . 0 0 "[ . 1 . 2]" 1
93 1 35 GLN H 1 35 GLN HA 2.325 . 2.850 2.818 2.749 2.858 0.008 8 0 "[ . 1 . 2]" 1
94 1 35 GLN H 1 35 GLN HB2 2.320 . 2.840 2.574 2.410 2.662 . 0 0 "[ . 1 . 2]" 1
95 1 35 GLN H 1 35 GLN HB3 2.790 . 3.780 3.635 3.579 3.672 . 0 0 "[ . 1 . 2]" 1
96 1 32 ARG H 1 32 ARG HG2 2.755 . 3.710 3.205 2.226 3.718 0.008 12 0 "[ . 1 . 2]" 1
97 1 32 ARG H 1 32 ARG HG3 2.755 . 3.710 2.671 2.130 3.730 0.020 19 0 "[ . 1 . 2]" 1
98 1 38 GLN H 1 39 ARG H 2.405 . 3.010 2.582 2.438 2.741 . 0 0 "[ . 1 . 2]" 1
99 1 25 ARG H 1 25 ARG QD 3.365 . 4.930 3.653 3.112 4.352 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR HB2 1 8 LYS H 2.880 . 3.960 3.862 3.769 3.965 0.005 19 0 "[ . 1 . 2]" 1
101 1 7 TYR HB3 1 8 LYS H 2.430 . 3.060 2.754 2.600 2.942 . 0 0 "[ . 1 . 2]" 1
102 1 9 ARG H 1 9 ARG QB 2.175 . 2.550 2.468 2.361 2.562 0.012 3 0 "[ . 1 . 2]" 1
103 1 9 ARG H 1 9 ARG HG2 2.820 . 3.840 2.971 2.097 3.584 . 0 0 "[ . 1 . 2]" 1
104 1 9 ARG H 1 9 ARG HG3 2.820 . 3.840 2.829 2.235 3.784 . 0 0 "[ . 1 . 2]" 1
105 1 26 LEU H 1 26 LEU HB3 2.250 . 2.700 2.364 2.270 2.460 . 0 0 "[ . 1 . 2]" 1
106 1 26 LEU H 1 26 LEU HG 3.215 . 4.630 4.393 4.313 4.440 . 0 0 "[ . 1 . 2]" 1
107 1 26 LEU H 1 26 LEU MD1 3.085 . 4.370 4.229 4.195 4.274 . 0 0 "[ . 1 . 2]" 1
108 1 26 LEU H 1 26 LEU MD2 3.085 . 4.370 4.266 4.196 4.354 . 0 0 "[ . 1 . 2]" 1
109 1 26 LEU MD2 1 27 GLN H 3.430 . 5.060 4.249 3.991 4.456 . 0 0 "[ . 1 . 2]" 1
110 1 26 LEU MD1 1 27 GLN H 3.430 . 5.060 4.218 4.118 4.378 . 0 0 "[ . 1 . 2]" 1
111 1 26 LEU HG 1 27 GLN H 2.775 . 3.750 3.475 3.244 3.612 . 0 0 "[ . 1 . 2]" 1
112 1 26 LEU HB3 1 27 GLN H 2.370 . 2.940 2.653 2.462 2.756 . 0 0 "[ . 1 . 2]" 1
113 1 23 GLY H 1 26 LEU HB2 3.180 . 4.560 3.752 3.418 4.261 . 0 0 "[ . 1 . 2]" 1
114 1 25 ARG HB3 1 25 ARG HE 3.515 . 5.230 3.241 1.851 4.445 . 0 0 "[ . 1 . 2]" 1
115 1 21 GLN HE21 1 21 GLN HG2 2.880 . 3.960 2.234 2.176 2.299 . 0 0 "[ . 1 . 2]" 1
116 1 21 GLN HE21 1 21 GLN HG3 2.880 . 3.960 3.036 2.843 3.500 . 0 0 "[ . 1 . 2]" 1
117 1 21 GLN HE22 1 21 GLN HG2 2.880 . 3.960 3.468 3.431 3.497 . 0 0 "[ . 1 . 2]" 1
118 1 21 GLN HE22 1 21 GLN HG3 2.880 . 3.960 3.828 3.738 4.025 0.065 7 0 "[ . 1 . 2]" 1
119 1 21 GLN H 1 22 GLN H 3.230 . 4.660 4.409 4.377 4.440 . 0 0 "[ . 1 . 2]" 1
120 1 5 LYS HB2 1 6 SER H 2.960 . 4.120 3.006 2.128 3.838 . 0 0 "[ . 1 . 2]" 1
121 1 5 LYS HB3 1 6 SER H 2.960 . 4.120 3.778 3.383 4.100 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU H 1 10 LEU MD1 3.040 . 4.280 4.145 4.037 4.218 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU H 1 10 LEU MD2 3.040 . 4.280 4.228 4.112 4.285 0.005 14 0 "[ . 1 . 2]" 1
124 1 10 LEU MD2 1 11 GLN H 3.065 . 4.330 4.134 3.971 4.247 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU MD1 1 11 GLN H 3.065 . 4.330 3.949 2.856 4.338 0.008 7 0 "[ . 1 . 2]" 1
126 1 10 LEU HG 1 11 GLN H 3.200 . 4.600 3.671 3.287 4.659 0.059 12 0 "[ . 1 . 2]" 1
127 1 10 LEU HB2 1 11 GLN H 2.855 . 3.910 3.852 3.757 3.924 0.014 16 0 "[ . 1 . 2]" 1
128 1 10 LEU HB3 1 11 GLN H 2.380 . 2.960 2.485 2.379 2.568 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLN H 1 11 GLN QB 2.985 . 4.170 2.451 2.013 2.614 . 0 0 "[ . 1 . 2]" 1
130 1 9 ARG HE 1 9 ARG HG3 2.890 . 3.980 3.156 2.406 3.667 . 0 0 "[ . 1 . 2]" 1
131 1 9 ARG HE 1 9 ARG HG2 2.890 . 3.980 2.952 2.361 3.700 . 0 0 "[ . 1 . 2]" 1
132 1 9 ARG QB 1 9 ARG HE 2.610 . 3.420 2.260 1.895 2.788 . 0 0 "[ . 1 . 2]" 1
133 1 9 ARG QD 1 9 ARG HE 2.275 . 2.750 2.444 2.330 2.499 . 0 0 "[ . 1 . 2]" 1
134 1 9 ARG QD 1 10 LEU H 3.400 . 5.000 4.749 4.123 5.050 0.050 18 0 "[ . 1 . 2]" 1
135 1 9 ARG QB 1 10 LEU H 2.695 . 3.590 2.667 2.280 3.536 . 0 0 "[ . 1 . 2]" 1
136 1 2 GLY HA2 1 3 PRO QD 2.230 . 2.660 2.266 1.921 2.747 0.087 8 0 "[ . 1 . 2]" 1
137 1 4 ASP H 1 4 ASP QB 2.205 . 2.610 2.373 2.207 2.546 . 0 0 "[ . 1 . 2]" 1
138 1 3 PRO HB2 1 4 ASP H 2.875 . 3.950 2.856 1.887 3.964 0.014 14 0 "[ . 1 . 2]" 1
139 1 3 PRO QG 1 4 ASP H 3.075 . 4.350 4.184 3.475 4.495 0.145 7 0 "[ . 1 . 2]" 1
140 1 3 PRO HB3 1 4 ASP H 2.875 . 3.950 3.535 2.616 3.932 . 0 0 "[ . 1 . 2]" 1
141 1 3 PRO HA 1 4 ASP H 2.200 . 2.600 2.311 1.950 2.628 0.028 13 0 "[ . 1 . 2]" 1
142 1 3 PRO QD 1 4 ASP H 3.650 . 5.500 4.844 4.507 4.973 . 0 0 "[ . 1 . 2]" 1
143 1 4 ASP HA 1 5 LYS H 2.225 . 2.650 2.297 2.156 2.652 0.002 12 0 "[ . 1 . 2]" 1
144 1 4 ASP QB 1 5 LYS H 2.395 . 2.990 2.986 2.634 3.185 0.195 16 0 "[ . 1 . 2]" 1
145 1 5 LYS H 1 5 LYS QD 3.210 . 4.620 3.823 3.212 4.111 . 0 0 "[ . 1 . 2]" 1
146 1 5 LYS H 1 5 LYS HG2 2.665 . 3.530 2.762 2.029 3.542 0.012 9 0 "[ . 1 . 2]" 1
147 1 5 LYS H 1 5 LYS HG3 2.665 . 3.530 2.761 1.784 3.569 0.039 2 0 "[ . 1 . 2]" 1
148 1 6 SER H 1 6 SER QB 2.205 . 2.610 2.488 2.372 2.596 . 0 0 "[ . 1 . 2]" 1
149 1 6 SER QB 1 7 TYR H 2.625 . 3.450 2.698 2.455 2.994 . 0 0 "[ . 1 . 2]" 1
150 1 4 ASP QB 1 7 TYR H 2.795 . 3.790 2.446 2.050 3.092 . 0 0 "[ . 1 . 2]" 1
151 1 4 ASP H 1 7 TYR HB2 3.050 . 4.300 3.568 2.827 4.325 0.025 15 0 "[ . 1 . 2]" 1
152 1 4 ASP H 1 7 TYR HB3 2.875 . 3.950 2.897 2.412 3.528 . 0 0 "[ . 1 . 2]" 1
153 1 6 SER HA 1 8 LYS H 3.215 . 4.630 4.367 4.147 4.676 0.046 17 0 "[ . 1 . 2]" 1
154 1 6 SER HA 1 9 ARG H 2.880 . 3.960 3.482 3.042 3.925 . 0 0 "[ . 1 . 2]" 1
155 1 13 CYS H 1 13 CYS HB3 2.305 . 2.810 2.632 2.547 2.697 . 0 0 "[ . 1 . 2]" 1
156 1 13 CYS H 1 13 CYS HB2 2.325 . 2.850 2.425 2.329 2.504 . 0 0 "[ . 1 . 2]" 1
157 1 13 CYS HB3 1 14 GLN H 2.285 . 2.770 2.450 2.254 2.578 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU HA 1 13 CYS H 2.775 . 3.750 3.529 3.321 3.761 0.011 13 0 "[ . 1 . 2]" 1
159 1 12 GLU H 1 12 GLU HG2 2.690 . 3.580 2.479 2.050 3.477 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLU H 1 12 GLU HG3 2.690 . 3.580 3.218 1.954 3.639 0.059 5 0 "[ . 1 . 2]" 1
161 1 12 GLU HG3 1 13 CYS H 3.520 . 5.240 4.542 2.332 5.020 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLU HG2 1 13 CYS H 3.520 . 5.240 4.369 2.734 5.026 . 0 0 "[ . 1 . 2]" 1
163 1 4 ASP H 1 5 LYS H 3.200 . 4.600 4.521 4.446 4.606 0.006 18 0 "[ . 1 . 2]" 1
164 1 6 SER H 1 7 TYR H 2.575 . 3.350 2.575 2.292 2.804 . 0 0 "[ . 1 . 2]" 1
165 1 11 GLN QB 1 12 GLU H 2.665 . 3.530 2.493 2.173 3.454 . 0 0 "[ . 1 . 2]" 1
166 1 5 LYS H 1 7 TYR H 3.460 . 5.120 3.952 3.652 4.361 . 0 0 "[ . 1 . 2]" 1
167 1 15 ARG H 1 15 ARG QB 2.140 . 2.480 2.414 2.290 2.571 0.091 5 0 "[ . 1 . 2]" 1
168 1 15 ARG H 1 15 ARG HG2 2.745 . 3.690 2.738 2.234 3.635 . 0 0 "[ . 1 . 2]" 1
169 1 15 ARG H 1 15 ARG HG3 2.745 . 3.690 3.301 2.143 3.753 0.063 1 0 "[ . 1 . 2]" 1
170 1 15 ARG H 1 15 ARG QD 3.650 . 5.500 3.724 3.286 4.514 . 0 0 "[ . 1 . 2]" 1
171 1 15 ARG QB 1 15 ARG HE 2.810 . 3.820 2.826 1.922 3.900 0.080 16 0 "[ . 1 . 2]" 1
172 1 15 ARG H 1 15 ARG HA 2.335 . 2.870 2.808 2.745 2.843 . 0 0 "[ . 1 . 2]" 1
173 1 15 ARG HA 1 15 ARG HE 3.650 . 5.500 4.022 2.159 5.695 0.195 20 0 "[ . 1 . 2]" 1
174 1 14 GLN HB3 1 15 ARG H 3.060 . 4.320 3.950 3.568 4.280 . 0 0 "[ . 1 . 2]" 1
175 1 14 GLN H 1 15 ARG H 2.310 . 2.820 2.691 2.575 2.816 . 0 0 "[ . 1 . 2]" 1
176 1 17 CYS H 1 17 CYS HB3 2.705 . 3.610 3.589 3.561 3.614 0.004 12 0 "[ . 1 . 2]" 1
177 1 17 CYS HB3 1 18 GLN H 2.695 . 3.590 3.631 3.613 3.656 0.066 9 0 "[ . 1 . 2]" 1
178 1 16 ARG H 1 16 ARG QD 2.955 . 4.110 3.855 3.544 4.142 0.032 14 0 "[ . 1 . 2]" 1
179 1 16 ARG H 1 16 ARG QB 2.205 . 2.610 2.417 2.351 2.493 . 0 0 "[ . 1 . 2]" 1
180 1 16 ARG H 1 17 CYS H 2.820 . 3.840 2.606 2.431 2.734 . 0 0 "[ . 1 . 2]" 1
181 1 28 GLU H 1 29 CYS HB2 3.570 . 5.340 4.926 4.786 5.091 . 0 0 "[ . 1 . 2]" 1
182 1 28 GLU H 1 29 CYS HB3 3.460 . 5.120 4.984 4.818 5.144 0.024 10 0 "[ . 1 . 2]" 1
183 1 30 GLN H 1 31 GLN H 2.325 . 2.850 2.657 2.599 2.722 . 0 0 "[ . 1 . 2]" 1
184 1 36 GLU H 1 37 TYR H 2.350 . 2.900 2.742 2.650 2.850 . 0 0 "[ . 1 . 2]" 1
185 1 8 LYS H 1 9 ARG H 2.535 . 3.270 2.651 2.575 2.719 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLN H 1 12 GLU H 2.685 . 3.570 2.816 2.708 2.942 . 0 0 "[ . 1 . 2]" 1
187 1 7 TYR H 1 8 LYS H 2.375 . 2.950 2.386 2.276 2.642 . 0 0 "[ . 1 . 2]" 1
188 1 12 GLU H 1 13 CYS H 2.465 . 3.130 2.734 2.550 2.874 . 0 0 "[ . 1 . 2]" 1
189 1 13 CYS H 1 14 GLN H 2.370 . 2.940 2.820 2.708 2.905 . 0 0 "[ . 1 . 2]" 1
190 1 40 GLU H 1 41 LYS H 2.755 . 3.710 2.562 2.377 2.777 . 0 0 "[ . 1 . 2]" 1
191 1 8 LYS H 1 10 LEU H 3.415 . 5.030 3.965 3.808 4.149 . 0 0 "[ . 1 . 2]" 1
192 1 10 LEU H 1 12 GLU H 3.590 . 5.380 4.298 4.011 4.531 . 0 0 "[ . 1 . 2]" 1
193 1 9 ARG H 1 10 LEU H 2.395 . 2.990 2.669 2.520 2.826 . 0 0 "[ . 1 . 2]" 1
194 1 10 LEU H 1 11 GLN H 2.520 . 3.240 2.799 2.700 2.939 . 0 0 "[ . 1 . 2]" 1
195 1 39 ARG H 1 39 ARG QD 3.065 . 4.330 3.699 3.341 3.884 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLN HA 1 14 GLN H 2.905 . 4.010 3.659 3.231 3.954 . 0 0 "[ . 1 . 2]" 1
197 1 10 LEU HA 1 14 GLN H 3.010 . 4.220 3.913 3.719 4.150 . 0 0 "[ . 1 . 2]" 1
198 1 39 ARG H 1 40 GLU H 3.100 . 4.400 2.533 2.215 2.893 . 0 0 "[ . 1 . 2]" 1
199 1 1 ARG HA 1 2 GLY H 2.445 . 3.090 2.362 2.070 3.039 . 0 0 "[ . 1 . 2]" 1
200 1 17 CYS H 1 17 CYS HB2 2.185 . 2.570 2.473 2.394 2.571 0.001 12 0 "[ . 1 . 2]" 1
201 1 34 GLN H 1 34 GLN QG 2.405 . 3.010 2.278 2.115 2.596 . 0 0 "[ . 1 . 2]" 1
202 1 34 GLN H 1 35 GLN H 2.345 . 2.890 2.612 2.459 2.905 0.015 9 0 "[ . 1 . 2]" 1
203 1 35 GLN H 1 36 GLU H 2.350 . 2.900 2.679 2.511 2.878 . 0 0 "[ . 1 . 2]" 1
204 1 29 CYS HB2 1 30 GLN H 2.755 . 3.710 3.718 3.644 3.737 0.027 11 0 "[ . 1 . 2]" 1
205 1 25 ARG HB2 1 25 ARG HE 3.515 . 5.230 3.849 2.046 4.617 . 0 0 "[ . 1 . 2]" 1
206 1 32 ARG H 1 32 ARG QD 3.055 . 4.310 3.857 3.253 4.322 0.012 13 0 "[ . 1 . 2]" 1
207 1 32 ARG H 1 33 CYS H 3.125 . 4.450 2.642 2.451 2.785 . 0 0 "[ . 1 . 2]" 1
208 1 31 GLN H 1 32 ARG H 2.410 . 3.020 2.638 2.537 2.729 . 0 0 "[ . 1 . 2]" 1
209 1 7 TYR HA 1 10 LEU H 2.720 . 3.640 3.166 2.896 3.289 . 0 0 "[ . 1 . 2]" 1
210 1 38 GLN HB2 1 39 ARG H 2.865 . 3.930 2.785 2.443 3.010 . 0 0 "[ . 1 . 2]" 1
211 1 31 GLN H 1 33 CYS H 3.470 . 5.140 4.035 3.897 4.152 . 0 0 "[ . 1 . 2]" 1
212 1 5 LYS H 1 6 SER H 2.430 . 3.060 2.613 2.355 2.901 . 0 0 "[ . 1 . 2]" 1
213 1 47 GLU H 1 49 ASN H 3.650 . 5.500 4.637 3.127 5.532 0.032 14 0 "[ . 1 . 2]" 1
214 1 43 GLN H 1 44 HIS H 3.650 . 5.500 4.247 3.755 4.584 . 0 0 "[ . 1 . 2]" 1
215 1 39 ARG HA 1 39 ARG HE 3.495 . 5.190 4.520 3.269 5.204 0.014 16 0 "[ . 1 . 2]" 1
216 1 39 ARG QB 1 39 ARG HE 2.875 . 3.950 3.154 1.990 3.974 0.024 18 0 "[ . 1 . 2]" 1
217 1 45 GLN H 1 45 GLN HG3 3.315 . 4.830 3.438 2.159 4.737 . 0 0 "[ . 1 . 2]" 1
218 1 7 TYR HB3 1 37 TYR QE 3.600 . 5.400 3.931 3.620 4.339 . 0 0 "[ . 1 . 2]" 1
219 1 7 TYR HB2 1 37 TYR QE 2.690 . 3.580 2.390 2.102 3.085 . 0 0 "[ . 1 . 2]" 1
220 1 7 TYR HA 1 37 TYR QE 2.590 . 3.380 2.659 2.174 3.122 . 0 0 "[ . 1 . 2]" 1
221 1 7 TYR HA 1 7 TYR QD 2.375 . 2.950 2.740 2.516 2.911 . 0 0 "[ . 1 . 2]" 1
222 1 37 TYR HA 1 37 TYR QD 2.350 . 2.900 2.640 2.422 2.929 0.029 19 0 "[ . 1 . 2]" 1
223 1 37 TYR HA 1 37 TYR QE 3.250 . 4.700 4.641 4.488 4.737 0.037 3 0 "[ . 1 . 2]" 1
224 1 10 LEU HA 1 37 TYR QD 3.510 . 5.220 4.830 4.124 5.114 . 0 0 "[ . 1 . 2]" 1
225 1 10 LEU HB2 1 37 TYR QD 2.445 . 3.090 2.750 2.220 2.978 . 0 0 "[ . 1 . 2]" 1
226 1 10 LEU HG 1 37 TYR QD 3.495 . 5.190 4.697 3.002 5.253 0.063 16 0 "[ . 1 . 2]" 1
227 1 7 TYR QE 1 10 LEU MD2 3.650 . 5.500 3.420 2.621 5.521 0.021 4 0 "[ . 1 . 2]" 1
228 1 10 LEU MD2 1 37 TYR QE 3.650 . 5.500 3.856 3.182 5.233 . 0 0 "[ . 1 . 2]" 1
229 1 7 TYR QE 1 10 LEU MD1 3.650 . 5.500 4.927 2.941 5.511 0.011 1 0 "[ . 1 . 2]" 1
230 1 10 LEU MD1 1 37 TYR QE 3.650 . 5.500 5.080 4.343 5.512 0.012 16 0 "[ . 1 . 2]" 1
231 1 10 LEU HB2 1 37 TYR QE 3.200 . 4.600 4.428 3.801 4.630 0.030 13 0 "[ . 1 . 2]" 1
232 1 7 TYR QE 1 10 LEU HB3 3.535 . 5.270 4.774 4.400 4.964 . 0 0 "[ . 1 . 2]" 1
233 1 10 LEU HB3 1 37 TYR QE 3.635 . 5.470 4.507 3.903 4.787 . 0 0 "[ . 1 . 2]" 1
234 1 10 LEU HB3 1 37 TYR QD 2.835 . 3.870 3.618 2.880 3.886 0.016 18 0 "[ . 1 . 2]" 1
235 1 26 LEU MD2 1 30 GLN HE21 2.805 . 3.810 3.547 2.882 3.908 0.098 13 0 "[ . 1 . 2]" 1
236 1 26 LEU MD1 1 30 GLN HE21 2.805 . 3.810 2.516 2.006 3.297 . 0 0 "[ . 1 . 2]" 1
237 1 26 LEU HG 1 30 GLN HE21 2.980 . 4.160 2.921 1.823 3.931 . 0 0 "[ . 1 . 2]" 1
238 1 26 LEU HG 1 30 GLN HE22 3.350 . 4.900 3.414 2.835 3.837 . 0 0 "[ . 1 . 2]" 1
239 1 26 LEU MD1 1 30 GLN HE22 2.940 . 4.080 3.294 2.830 3.869 . 0 0 "[ . 1 . 2]" 1
240 1 26 LEU MD2 1 30 GLN HE22 2.940 . 4.080 3.431 2.870 3.985 . 0 0 "[ . 1 . 2]" 1
241 1 10 LEU MD1 1 37 TYR H 3.650 . 5.500 4.038 3.205 5.562 0.062 12 0 "[ . 1 . 2]" 1
242 1 38 GLN HB3 1 39 ARG H 2.865 . 3.930 3.752 3.464 3.948 0.018 20 0 "[ . 1 . 2]" 1
243 1 37 TYR QD 1 38 GLN HA 3.000 . 4.200 3.775 2.891 4.161 . 0 0 "[ . 1 . 2]" 1
244 1 10 LEU MD2 1 14 GLN HE21 2.850 . 3.900 3.080 2.394 3.739 . 0 0 "[ . 1 . 2]" 1
245 1 10 LEU MD1 1 14 GLN HE21 2.850 . 3.900 2.480 1.847 3.442 . 0 0 "[ . 1 . 2]" 1
246 1 10 LEU HG 1 14 GLN HE21 3.055 . 4.310 2.436 1.776 4.373 0.063 4 0 "[ . 1 . 2]" 1
247 1 7 TYR QD 1 10 LEU HB2 3.650 . 5.500 4.628 4.326 4.930 . 0 0 "[ . 1 . 2]" 1
248 1 10 LEU HB2 1 14 GLN HE21 3.650 . 5.500 4.938 4.604 5.553 0.053 6 0 "[ . 1 . 2]" 1
249 1 10 LEU HG 1 14 GLN HE22 3.595 . 5.390 3.333 2.358 5.383 . 0 0 "[ . 1 . 2]" 1
250 1 10 LEU MD1 1 14 GLN HE22 2.960 . 4.120 3.171 2.438 3.560 . 0 0 "[ . 1 . 2]" 1
251 1 10 LEU MD2 1 14 GLN HE22 2.960 . 4.120 3.256 2.896 4.017 . 0 0 "[ . 1 . 2]" 1
252 1 22 GLN H 1 26 LEU HB2 2.875 . 3.950 3.408 3.159 3.623 . 0 0 "[ . 1 . 2]" 1
253 1 22 GLN H 1 26 LEU MD1 3.455 . 5.110 4.868 4.543 5.142 0.032 11 0 "[ . 1 . 2]" 1
254 1 26 LEU HB2 1 30 GLN H 3.650 . 5.500 5.558 5.530 5.602 0.102 1 0 "[ . 1 . 2]" 1
255 1 22 GLN H 1 26 LEU MD2 3.455 . 5.110 4.891 4.493 5.123 0.013 1 0 "[ . 1 . 2]" 1
256 1 10 LEU MD2 1 37 TYR H 3.650 . 5.500 4.386 3.137 5.303 . 0 0 "[ . 1 . 2]" 1
257 1 24 GLN H 1 26 LEU H 3.055 . 4.310 4.038 3.840 4.221 . 0 0 "[ . 1 . 2]" 1
258 1 23 GLY H 1 26 LEU H 3.395 . 4.990 4.051 3.887 4.245 . 0 0 "[ . 1 . 2]" 1
259 1 7 TYR H 1 7 TYR QD 3.075 . 4.350 4.214 4.163 4.267 . 0 0 "[ . 1 . 2]" 1
260 1 7 TYR H 1 37 TYR QE 2.625 . 3.450 3.103 2.654 3.364 . 0 0 "[ . 1 . 2]" 1
261 1 37 TYR H 1 37 TYR QD 3.080 . 4.360 4.202 4.137 4.255 . 0 0 "[ . 1 . 2]" 1
262 1 37 TYR QD 1 38 GLN H 2.795 . 3.790 3.481 3.009 3.839 0.049 9 0 "[ . 1 . 2]" 1
263 1 7 TYR QD 1 8 LYS H 2.975 . 4.150 3.976 3.840 4.157 0.007 3 0 "[ . 1 . 2]" 1
264 1 30 GLN HA 1 30 GLN HE21 3.465 . 5.130 4.495 4.187 5.060 . 0 0 "[ . 1 . 2]" 1
265 1 30 GLN HB2 1 30 GLN HE22 3.255 . 4.710 3.798 3.509 4.318 . 0 0 "[ . 1 . 2]" 1
266 1 30 GLN HB3 1 30 GLN HE22 3.255 . 4.710 3.692 3.464 4.223 . 0 0 "[ . 1 . 2]" 1
267 1 11 GLN QB 1 11 GLN HE22 2.905 . 4.010 3.650 3.278 4.018 0.008 17 0 "[ . 1 . 2]" 1
268 1 11 GLN QB 1 11 GLN HE21 2.905 . 4.010 2.856 1.802 3.670 . 0 0 "[ . 1 . 2]" 1
269 1 7 TYR HA 1 37 TYR QD 2.865 . 3.930 2.810 2.357 3.361 . 0 0 "[ . 1 . 2]" 1
270 1 6 SER HA 1 37 TYR QD 3.650 . 5.500 3.996 3.689 4.451 . 0 0 "[ . 1 . 2]" 1
271 1 17 CYS HB3 1 30 GLN HE21 3.480 . 5.160 4.672 4.213 5.189 0.029 4 0 "[ . 1 . 2]" 1
272 1 17 CYS HB2 1 30 GLN HE21 3.650 . 5.500 4.477 3.765 5.266 . 0 0 "[ . 1 . 2]" 1
273 1 27 GLN HA 1 30 GLN HE21 3.585 . 5.370 4.206 2.902 5.372 0.002 10 0 "[ . 1 . 2]" 1
274 1 14 GLN HA 1 30 GLN HE21 3.650 . 5.500 4.891 4.063 5.545 0.045 19 0 "[ . 1 . 2]" 1
275 1 7 TYR QD 1 8 LYS HA 2.785 . 3.770 3.804 3.768 3.852 0.082 7 0 "[ . 1 . 2]" 1
276 1 1 ARG QB 1 2 GLY H 3.435 . 5.070 2.934 1.961 4.046 . 0 0 "[ . 1 . 2]" 1
277 1 1 ARG QB 1 1 ARG HE 3.650 . 5.500 3.335 1.881 4.110 . 0 0 "[ . 1 . 2]" 1
278 1 16 ARG QB 1 17 CYS H 2.275 . 2.750 2.448 2.342 2.542 . 0 0 "[ . 1 . 2]" 1
279 1 16 ARG HG2 1 17 CYS H 3.345 . 4.890 4.736 4.300 4.942 0.052 6 0 "[ . 1 . 2]" 1
280 1 16 ARG HG3 1 17 CYS H 3.345 . 4.890 4.478 4.230 4.893 0.003 14 0 "[ . 1 . 2]" 1
281 1 16 ARG QB 1 16 ARG HE 2.515 . 3.230 2.059 1.788 3.233 0.012 19 0 "[ . 1 . 2]" 1
282 1 39 ARG HA 1 39 ARG QD 3.345 . 4.890 3.732 2.025 4.520 . 0 0 "[ . 1 . 2]" 1
283 1 16 ARG HA 1 16 ARG QB 2.385 . 2.970 2.397 2.371 2.429 . 0 0 "[ . 1 . 2]" 1
284 1 15 ARG HA 1 15 ARG HG2 2.895 . 3.990 2.956 2.281 4.136 0.146 5 0 "[ . 1 . 2]" 1
285 1 16 ARG QB 1 16 ARG QD 2.595 . 3.390 2.446 2.299 2.805 . 0 0 "[ . 1 . 2]" 1
286 1 17 CYS HB3 1 29 CYS HB3 2.865 . 3.930 2.161 2.046 2.305 . 0 0 "[ . 1 . 2]" 1
287 1 14 GLN HA 1 17 CYS HB3 3.195 . 4.590 3.978 3.737 4.225 . 0 0 "[ . 1 . 2]" 1
288 1 17 CYS HB3 1 26 LEU HA 3.390 . 4.980 3.142 2.930 3.329 . 0 0 "[ . 1 . 2]" 1
289 1 34 GLN HB2 1 35 GLN H 2.435 . 3.070 2.648 2.428 2.868 . 0 0 "[ . 1 . 2]" 1
290 1 34 GLN HB3 1 35 GLN H 2.730 . 3.660 3.619 3.271 3.696 0.036 7 0 "[ . 1 . 2]" 1
291 1 33 CYS HA 1 36 GLU H 2.870 . 3.940 3.445 3.254 3.906 . 0 0 "[ . 1 . 2]" 1
292 1 33 CYS HA 1 35 GLN H 3.650 . 5.500 4.379 4.190 4.900 . 0 0 "[ . 1 . 2]" 1
293 1 35 GLN HB3 1 36 GLU H 2.845 . 3.890 3.572 3.366 3.730 . 0 0 "[ . 1 . 2]" 1
294 1 35 GLN HB2 1 36 GLU H 2.505 . 3.210 2.493 2.317 2.651 . 0 0 "[ . 1 . 2]" 1
295 1 31 GLN HA 1 34 GLN H 2.805 . 3.810 3.320 3.017 3.505 . 0 0 "[ . 1 . 2]" 1
296 1 14 GLN HA 1 17 CYS H 2.675 . 3.550 3.212 2.911 3.500 . 0 0 "[ . 1 . 2]" 1
297 1 30 GLN HA 1 33 CYS H 2.750 . 3.700 3.145 2.861 3.491 . 0 0 "[ . 1 . 2]" 1
298 1 32 ARG HA 1 35 GLN H 2.840 . 3.880 3.204 2.882 3.585 . 0 0 "[ . 1 . 2]" 1
299 1 30 GLN HA 1 32 ARG H 3.325 . 4.850 4.222 3.984 4.541 . 0 0 "[ . 1 . 2]" 1
300 1 31 GLN H 1 34 GLN H 3.650 . 5.500 4.687 4.526 4.875 . 0 0 "[ . 1 . 2]" 1
301 1 32 ARG HB2 1 33 CYS H 2.925 . 4.050 2.747 2.281 4.016 . 0 0 "[ . 1 . 2]" 1
302 1 32 ARG HB3 1 33 CYS H 2.925 . 4.050 3.667 3.215 3.985 . 0 0 "[ . 1 . 2]" 1
303 1 36 GLU HB3 1 37 TYR H 2.540 . 3.280 3.323 3.166 3.434 0.154 6 0 "[ . 1 . 2]" 1
304 1 36 GLU HB2 1 37 TYR H 2.540 . 3.280 2.468 2.269 2.853 . 0 0 "[ . 1 . 2]" 1
305 1 36 GLU H 1 36 GLU QG 2.630 . 3.460 2.396 2.127 3.501 0.041 17 0 "[ . 1 . 2]" 1
306 1 41 LYS QD 1 42 GLY H 3.650 . 5.500 4.664 3.079 5.372 . 0 0 "[ . 1 . 2]" 1
307 1 10 LEU H 1 37 TYR QD 3.085 . 4.370 3.923 3.270 4.378 0.008 12 0 "[ . 1 . 2]" 1
308 1 4 ASP HA 1 4 ASP QB 2.195 . 2.590 2.401 2.310 2.473 . 0 0 "[ . 1 . 2]" 1
309 1 32 ARG HA 1 32 ARG HG2 2.840 . 3.880 2.722 2.367 3.812 . 0 0 "[ . 1 . 2]" 1
310 1 5 LYS HA 1 5 LYS QD 3.280 . 4.760 3.981 2.124 4.563 . 0 0 "[ . 1 . 2]" 1
311 1 5 LYS HA 1 8 LYS QD 3.445 . 5.090 3.659 2.210 4.937 . 0 0 "[ . 1 . 2]" 1
312 1 6 SER HA 1 6 SER QB 2.180 . 2.560 2.305 2.262 2.363 . 0 0 "[ . 1 . 2]" 1
313 1 9 ARG HA 1 9 ARG QB 2.310 . 2.820 2.357 2.175 2.427 . 0 0 "[ . 1 . 2]" 1
314 1 9 ARG HA 1 9 ARG HG2 2.840 . 3.880 2.853 2.457 3.776 . 0 0 "[ . 1 . 2]" 1
315 1 9 ARG HA 1 9 ARG HG3 2.840 . 3.880 3.374 2.979 3.835 . 0 0 "[ . 1 . 2]" 1
316 1 22 GLN HA 1 22 GLN HG2 2.870 . 3.940 3.683 2.651 3.838 . 0 0 "[ . 1 . 2]" 1
317 1 22 GLN HA 1 22 GLN HG3 2.870 . 3.940 3.755 3.196 3.824 . 0 0 "[ . 1 . 2]" 1
318 1 24 GLN HA 1 24 GLN QG 2.535 . 3.270 2.758 2.401 3.062 . 0 0 "[ . 1 . 2]" 1
319 1 25 ARG HA 1 25 ARG QD 2.750 . 3.700 2.608 1.945 3.840 0.140 8 0 "[ . 1 . 2]" 1
320 1 1 ARG HA 1 1 ARG QG 2.815 . 3.830 2.900 2.386 3.376 . 0 0 "[ . 1 . 2]" 1
321 1 26 LEU HA 1 26 LEU HG 2.775 . 3.750 3.368 3.231 3.483 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU HA 1 26 LEU HB2 2.380 . 2.960 2.312 2.250 2.348 . 0 0 "[ . 1 . 2]" 1
323 1 26 LEU HA 1 26 LEU MD1 2.940 . 4.080 2.253 2.188 2.317 . 0 0 "[ . 1 . 2]" 1
324 1 26 LEU HA 1 26 LEU MD2 2.940 . 4.080 3.887 3.856 3.923 . 0 0 "[ . 1 . 2]" 1
325 1 30 GLN HA 1 30 GLN HG2 2.975 . 4.150 3.499 2.378 3.802 . 0 0 "[ . 1 . 2]" 1
326 1 30 GLN HA 1 30 GLN HG3 2.975 . 4.150 3.599 2.843 3.808 . 0 0 "[ . 1 . 2]" 1
327 1 31 GLN HA 1 34 GLN HB2 2.750 . 3.700 2.725 2.185 3.288 . 0 0 "[ . 1 . 2]" 1
328 1 31 GLN HA 1 34 GLN QG 3.385 . 4.970 3.009 2.381 3.652 . 0 0 "[ . 1 . 2]" 1
329 1 32 ARG HA 1 32 ARG HG3 2.840 . 3.880 3.222 2.751 3.861 . 0 0 "[ . 1 . 2]" 1
330 1 34 GLN HA 1 34 GLN QG 2.465 . 3.130 2.546 2.360 3.000 . 0 0 "[ . 1 . 2]" 1
331 1 27 GLN HA 1 27 GLN QG 2.750 . 3.700 2.844 2.359 3.355 . 0 0 "[ . 1 . 2]" 1
332 1 35 GLN HA 1 35 GLN HB3 2.310 . 2.820 2.473 2.414 2.522 . 0 0 "[ . 1 . 2]" 1
333 1 38 GLN HA 1 38 GLN HG2 2.900 . 4.000 2.666 2.486 3.184 . 0 0 "[ . 1 . 2]" 1
334 1 38 GLN HA 1 38 GLN HG3 2.900 . 4.000 3.169 2.808 3.782 . 0 0 "[ . 1 . 2]" 1
335 1 1 ARG HA 1 1 ARG QD 3.165 . 4.530 3.289 2.011 4.282 . 0 0 "[ . 1 . 2]" 1
336 1 40 GLU HA 1 40 GLU HG2 2.825 . 3.850 2.808 2.322 3.810 . 0 0 "[ . 1 . 2]" 1
337 1 40 GLU HA 1 40 GLU HG3 2.825 . 3.850 3.376 2.816 3.795 . 0 0 "[ . 1 . 2]" 1
338 1 8 LYS QB 1 8 LYS QD 2.880 . 3.960 2.346 2.122 2.810 . 0 0 "[ . 1 . 2]" 1
339 1 10 LEU HB3 1 10 LEU HG 2.240 . 2.680 2.458 2.377 2.595 . 0 0 "[ . 1 . 2]" 1
340 1 10 LEU HB3 1 10 LEU MD1 2.510 . 3.220 3.015 2.240 3.216 . 0 0 "[ . 1 . 2]" 1
341 1 10 LEU HB2 1 10 LEU MD1 2.520 . 3.240 2.571 2.334 3.173 . 0 0 "[ . 1 . 2]" 1
342 1 10 LEU HB3 1 10 LEU MD2 2.510 . 3.220 2.517 2.302 3.198 . 0 0 "[ . 1 . 2]" 1
343 1 10 LEU HB2 1 10 LEU MD2 2.520 . 3.240 2.401 2.292 2.628 . 0 0 "[ . 1 . 2]" 1
344 1 11 GLN HA 1 11 GLN QB 2.330 . 2.860 2.372 2.170 2.519 . 0 0 "[ . 1 . 2]" 1
345 1 12 GLU HA 1 12 GLU HG2 2.885 . 3.970 2.907 2.483 3.702 . 0 0 "[ . 1 . 2]" 1
346 1 12 GLU HA 1 12 GLU HG3 2.885 . 3.970 3.580 3.072 3.830 . 0 0 "[ . 1 . 2]" 1
347 1 13 CYS HA 1 13 CYS HB2 2.230 . 2.660 2.507 2.462 2.559 . 0 0 "[ . 1 . 2]" 1
348 1 14 GLN HA 1 14 GLN HG2 2.970 . 4.140 3.195 2.477 3.838 . 0 0 "[ . 1 . 2]" 1
349 1 14 GLN HA 1 14 GLN HG3 2.970 . 4.140 3.459 2.844 3.817 . 0 0 "[ . 1 . 2]" 1
350 1 15 ARG HA 1 15 ARG QD 2.730 . 3.660 2.659 1.992 3.799 0.139 19 0 "[ . 1 . 2]" 1
351 1 15 ARG HA 1 15 ARG HG3 2.895 . 3.990 3.576 2.808 3.809 . 0 0 "[ . 1 . 2]" 1
352 1 20 GLU HA 1 20 GLU HG2 2.790 . 3.780 2.615 2.437 3.218 . 0 0 "[ . 1 . 2]" 1
353 1 20 GLU HA 1 20 GLU HG3 2.790 . 3.780 3.259 3.025 3.794 0.014 4 0 "[ . 1 . 2]" 1
354 1 22 GLN HA 1 26 LEU HB3 2.925 . 4.050 3.022 2.727 3.442 . 0 0 "[ . 1 . 2]" 1
355 1 25 ARG HB2 1 25 ARG QD 2.700 . 3.600 3.229 2.314 3.530 . 0 0 "[ . 1 . 2]" 1
356 1 25 ARG HB3 1 25 ARG QD 2.700 . 3.600 2.558 2.231 2.951 . 0 0 "[ . 1 . 2]" 1
357 1 26 LEU HB3 1 26 LEU HG 2.270 . 2.740 2.475 2.442 2.539 . 0 0 "[ . 1 . 2]" 1
358 1 26 LEU HB3 1 26 LEU MD1 2.575 . 3.350 3.200 3.177 3.219 . 0 0 "[ . 1 . 2]" 1
359 1 26 LEU HB2 1 26 LEU MD1 2.470 . 3.140 2.352 2.257 2.426 . 0 0 "[ . 1 . 2]" 1
360 1 26 LEU HB2 1 26 LEU MD2 2.470 . 3.140 2.361 2.313 2.469 . 0 0 "[ . 1 . 2]" 1
361 1 26 LEU HB3 1 26 LEU MD2 2.575 . 3.350 2.346 2.294 2.416 . 0 0 "[ . 1 . 2]" 1
362 1 32 ARG HB2 1 32 ARG QD 2.855 . 3.910 2.726 2.279 3.497 . 0 0 "[ . 1 . 2]" 1
363 1 32 ARG HB3 1 32 ARG QD 2.855 . 3.910 2.512 2.301 3.001 . 0 0 "[ . 1 . 2]" 1
364 1 41 LYS HA 1 41 LYS QG 2.915 . 4.030 2.947 2.397 3.569 . 0 0 "[ . 1 . 2]" 1
365 1 8 LYS HA 1 8 LYS HG3 2.925 . 4.050 3.016 2.510 3.809 . 0 0 "[ . 1 . 2]" 1
366 1 41 LYS HA 1 41 LYS QD 3.095 . 4.390 3.966 1.984 4.434 0.044 12 0 "[ . 1 . 2]" 1
367 1 43 GLN HA 1 43 GLN QG 2.770 . 3.740 2.778 2.390 3.380 . 0 0 "[ . 1 . 2]" 1
368 1 47 GLU HA 1 47 GLU QG 3.015 . 4.230 2.715 2.315 3.337 . 0 0 "[ . 1 . 2]" 1
369 1 10 LEU HB3 1 37 TYR HB2 3.650 . 5.500 3.882 3.587 4.298 . 0 0 "[ . 1 . 2]" 1
370 1 17 CYS HB2 1 21 GLN HB2 3.650 . 5.500 4.768 4.630 5.029 . 0 0 "[ . 1 . 2]" 1
371 1 10 LEU HB3 1 37 TYR HB3 3.650 . 5.500 5.285 4.806 5.504 0.004 16 0 "[ . 1 . 2]" 1
372 1 10 LEU MD1 1 37 TYR HB2 2.940 . 4.080 2.785 2.095 3.954 . 0 0 "[ . 1 . 2]" 1
373 1 10 LEU MD2 1 37 TYR HB2 2.940 . 4.080 2.565 2.235 3.345 . 0 0 "[ . 1 . 2]" 1
374 1 10 LEU MD1 1 37 TYR HB3 2.940 . 4.080 3.377 2.397 4.156 0.076 4 0 "[ . 1 . 2]" 1
375 1 10 LEU MD2 1 37 TYR HB3 2.940 . 4.080 3.022 2.639 3.330 . 0 0 "[ . 1 . 2]" 1
376 1 41 LYS QB 1 41 LYS HE2 3.650 . 5.500 3.255 1.922 4.207 . 0 0 "[ . 1 . 2]" 1
377 1 41 LYS H 1 41 LYS HE2 3.650 . 5.500 5.028 4.169 5.587 0.087 20 0 "[ . 1 . 2]" 1
378 1 8 LYS HA 1 8 LYS HG2 2.925 . 4.050 2.970 2.524 3.755 . 0 0 "[ . 1 . 2]" 1
379 1 5 LYS H 1 5 LYS QE 3.650 . 5.500 4.468 3.307 5.111 . 0 0 "[ . 1 . 2]" 1
380 1 8 LYS QB 1 8 LYS QE 3.360 . 4.920 2.248 1.891 3.822 . 0 0 "[ . 1 . 2]" 1
381 1 5 LYS HB2 1 5 LYS QE 3.650 . 5.500 3.552 1.968 4.231 . 0 0 "[ . 1 . 2]" 1
382 1 5 LYS HB3 1 5 LYS QE 3.650 . 5.500 3.522 1.984 4.197 . 0 0 "[ . 1 . 2]" 1
383 1 8 LYS H 1 8 LYS QE 3.330 . 4.860 4.362 3.893 4.868 0.008 17 0 "[ . 1 . 2]" 1
384 1 10 LEU MD1 1 34 GLN QG 3.225 . 4.650 2.782 2.035 3.418 . 0 0 "[ . 1 . 2]" 1
385 1 10 LEU MD2 1 34 GLN QG 3.225 . 4.650 3.248 2.139 4.405 . 0 0 "[ . 1 . 2]" 1
386 1 18 GLN H 1 18 GLN HG3 2.525 . 3.250 2.370 2.153 3.200 . 0 0 "[ . 1 . 2]" 1
387 1 18 GLN H 1 18 GLN QB 2.250 . 2.700 2.486 2.366 2.717 0.017 6 0 "[ . 1 . 2]" 1
388 1 18 GLN QB 1 26 LEU MD1 3.235 . 4.670 3.349 2.164 3.721 . 0 0 "[ . 1 . 2]" 1
389 1 18 GLN QB 1 26 LEU MD2 3.235 . 4.670 3.470 2.274 4.113 . 0 0 "[ . 1 . 2]" 1
390 1 18 GLN HG3 1 26 LEU MD1 3.155 . 4.510 3.088 2.474 4.547 0.037 5 0 "[ . 1 . 2]" 1
391 1 18 GLN HG2 1 26 LEU MD1 3.155 . 4.510 2.423 2.006 3.850 . 0 0 "[ . 1 . 2]" 1
392 1 18 GLN HG2 1 26 LEU MD2 3.155 . 4.510 2.908 2.317 4.529 0.019 6 0 "[ . 1 . 2]" 1
393 1 18 GLN HG3 1 26 LEU MD2 3.155 . 4.510 4.105 3.740 4.575 0.065 5 0 "[ . 1 . 2]" 1
394 1 41 LYS QB 1 41 LYS QG 2.115 . 2.430 2.073 2.006 2.092 . 0 0 "[ . 1 . 2]" 1
395 1 7 TYR HA 1 10 LEU HB3 3.650 . 5.500 2.326 2.040 2.717 . 0 0 "[ . 1 . 2]" 1
396 1 18 GLN HA 1 21 GLN HB2 3.650 . 5.500 4.417 3.949 4.698 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU HA 1 29 CYS HB3 2.620 . 3.440 2.588 2.466 2.729 . 0 0 "[ . 1 . 2]" 1
398 1 17 CYS HB3 1 30 GLN H 3.060 . 4.320 3.362 3.230 3.522 . 0 0 "[ . 1 . 2]" 1
399 1 17 CYS HB2 1 30 GLN H 3.060 . 4.320 4.181 4.030 4.337 0.017 9 0 "[ . 1 . 2]" 1
400 1 18 GLN HA 1 26 LEU MD2 2.745 . 3.690 2.641 2.124 3.158 . 0 0 "[ . 1 . 2]" 1
401 1 18 GLN HA 1 26 LEU MD1 2.745 . 3.690 2.092 1.940 2.328 . 0 0 "[ . 1 . 2]" 1
402 1 10 LEU MD1 1 34 GLN HA 2.810 . 3.820 2.726 2.233 3.901 0.081 4 0 "[ . 1 . 2]" 1
403 1 10 LEU MD2 1 34 GLN HA 2.810 . 3.820 3.046 2.007 3.739 . 0 0 "[ . 1 . 2]" 1
404 1 22 GLN HA 1 26 LEU MD1 3.085 . 4.370 3.894 3.478 4.361 . 0 0 "[ . 1 . 2]" 1
405 1 22 GLN HA 1 26 LEU MD2 3.085 . 4.370 2.801 2.422 3.120 . 0 0 "[ . 1 . 2]" 1
406 1 40 GLU H 1 41 LYS QB 3.565 . 5.330 4.496 4.169 4.707 . 0 0 "[ . 1 . 2]" 1
407 1 1 ARG QD 1 2 GLY H 3.650 . 5.500 4.155 2.776 5.505 0.005 16 0 "[ . 1 . 2]" 1
408 1 9 ARG HA 1 9 ARG QD 3.240 . 4.680 3.716 1.989 4.545 . 0 0 "[ . 1 . 2]" 1
409 1 6 SER QB 1 37 TYR QE 2.315 . 2.830 2.739 2.260 2.885 0.055 18 0 "[ . 1 . 2]" 1
410 1 6 SER QB 1 37 TYR QD 2.540 . 3.280 2.655 2.250 3.296 0.016 9 0 "[ . 1 . 2]" 1
411 1 38 GLN HA 1 41 LYS H 2.885 . 3.970 3.622 3.137 4.005 0.035 19 0 "[ . 1 . 2]" 1
412 1 10 LEU HA 1 13 CYS HB3 2.690 . 3.580 2.727 2.569 3.011 . 0 0 "[ . 1 . 2]" 1
413 1 1 ARG QB 1 1 ARG QD 2.705 . 3.610 2.333 2.052 2.866 . 0 0 "[ . 1 . 2]" 1
414 1 39 ARG QB 1 39 ARG QD 2.850 . 3.900 2.294 2.044 2.849 . 0 0 "[ . 1 . 2]" 1
415 1 9 ARG QB 1 9 ARG QD 2.800 . 3.800 2.423 2.215 2.857 . 0 0 "[ . 1 . 2]" 1
416 1 10 LEU MD1 1 34 GLN HE21 4.005 . 6.210 3.970 1.973 4.975 . 0 0 "[ . 1 . 2]" 1
417 1 10 LEU MD2 1 34 GLN HE21 4.005 . 6.210 4.028 2.667 5.099 . 0 0 "[ . 1 . 2]" 1
418 1 38 GLN HA 1 41 LYS QB 2.500 . 3.200 2.963 2.304 3.237 0.037 10 0 "[ . 1 . 2]" 1
419 1 21 GLN HB2 1 26 LEU HA 2.415 . 3.030 2.412 2.226 2.609 . 0 0 "[ . 1 . 2]" 1
420 1 6 SER HA 1 9 ARG QB 2.925 . 4.050 2.899 2.266 4.084 0.034 19 0 "[ . 1 . 2]" 1
421 1 14 GLN HA 1 17 CYS HB2 2.775 . 3.750 2.410 2.139 2.672 . 0 0 "[ . 1 . 2]" 1
422 1 17 CYS HB2 1 30 GLN HA 2.830 . 3.860 3.773 3.607 3.889 0.029 5 0 "[ . 1 . 2]" 1
423 1 14 GLN HA 1 18 GLN H 3.385 . 4.970 4.121 3.862 4.350 . 0 0 "[ . 1 . 2]" 1
424 1 11 GLN HA 1 15 ARG H 3.010 . 4.220 3.963 3.409 4.236 0.016 4 0 "[ . 1 . 2]" 1
425 1 22 GLN HA 1 26 LEU HB2 2.500 . 3.200 2.286 1.944 2.801 . 0 0 "[ . 1 . 2]" 1
426 1 10 LEU HA 1 10 LEU HG 2.830 . 3.860 3.393 3.132 3.803 . 0 0 "[ . 1 . 2]" 1
427 1 16 ARG HA 1 18 GLN H 2.960 . 4.120 4.191 4.150 4.236 0.116 17 0 "[ . 1 . 2]" 1
428 1 41 LYS QG 1 42 GLY H 3.145 . 4.490 3.259 1.986 4.291 . 0 0 "[ . 1 . 2]" 1
429 1 7 TYR QD 1 10 LEU HB3 3.020 . 4.240 3.863 3.647 4.103 . 0 0 "[ . 1 . 2]" 1
430 1 41 LYS H 1 41 LYS QB 2.330 . 2.860 2.526 2.338 2.699 . 0 0 "[ . 1 . 2]" 1
431 1 45 GLN H 1 45 GLN HB2 2.680 . 3.560 2.597 2.303 3.279 . 0 0 "[ . 1 . 2]" 1
432 1 45 GLN H 1 45 GLN HB3 2.680 . 3.560 3.241 2.385 3.654 0.094 7 0 "[ . 1 . 2]" 1
433 1 12 GLU H 1 14 GLN H 3.380 . 4.960 4.393 4.205 4.521 . 0 0 "[ . 1 . 2]" 1
434 1 14 GLN H 1 16 ARG H 3.530 . 5.260 4.133 3.989 4.255 . 0 0 "[ . 1 . 2]" 1
435 1 29 CYS H 1 31 GLN H 3.125 . 4.450 4.043 3.863 4.192 . 0 0 "[ . 1 . 2]" 1
436 1 38 GLN H 1 40 GLU H 3.335 . 4.870 4.102 3.763 4.599 . 0 0 "[ . 1 . 2]" 1
437 1 41 LYS H 1 41 LYS HE3 3.650 . 5.500 5.002 4.071 5.553 0.053 7 0 "[ . 1 . 2]" 1
438 1 41 LYS QB 1 41 LYS HE3 3.650 . 5.500 3.125 1.986 4.203 . 0 0 "[ . 1 . 2]" 1
439 1 38 GLN HA 1 41 LYS QD 3.650 . 5.500 3.163 2.171 5.070 . 0 0 "[ . 1 . 2]" 1
440 1 38 GLN HA 1 41 LYS QG 3.075 . 4.350 3.120 2.052 4.171 . 0 0 "[ . 1 . 2]" 1
441 1 3 PRO QB 1 4 ASP H 2.565 . 3.330 2.694 1.874 3.433 0.103 7 0 "[ . 1 . 2]" 1
442 1 5 LYS H 1 5 LYS QB 2.280 . 2.760 2.545 2.393 2.761 0.001 19 0 "[ . 1 . 2]" 1
443 1 5 LYS HA 1 5 LYS QG 2.625 . 3.450 2.894 2.334 3.393 . 0 0 "[ . 1 . 2]" 1
444 1 5 LYS QB 1 5 LYS QD 2.540 . 3.280 2.236 2.076 2.799 . 0 0 "[ . 1 . 2]" 1
445 1 5 LYS QB 1 6 SER H 2.625 . 3.450 2.858 2.112 3.523 0.073 1 0 "[ . 1 . 2]" 1
446 1 5 LYS QG 1 6 SER H 3.185 . 4.570 3.246 2.032 4.166 . 0 0 "[ . 1 . 2]" 1
447 1 7 TYR HA 1 10 LEU QD 2.860 . 3.920 3.143 2.843 3.540 . 0 0 "[ . 1 . 2]" 1
448 1 7 TYR HA 1 11 GLN QE 3.140 . 4.480 4.366 3.389 4.552 0.072 2 0 "[ . 1 . 2]" 1
449 1 7 TYR HB2 1 11 GLN QE 3.330 . 4.860 4.834 4.588 4.914 0.054 15 0 "[ . 1 . 2]" 1
450 1 7 TYR HB3 1 11 GLN QE 2.880 . 3.960 3.622 3.347 4.063 0.103 9 0 "[ . 1 . 2]" 1
451 1 7 TYR QD 1 10 LEU QD 2.775 . 3.750 2.893 2.459 3.398 . 0 0 "[ . 1 . 2]" 1
452 1 7 TYR QE 1 10 LEU QD 2.885 . 3.970 2.952 2.614 3.236 . 0 0 "[ . 1 . 2]" 1
453 1 8 LYS H 1 8 LYS QG 3.230 . 4.660 3.117 2.140 3.967 . 0 0 "[ . 1 . 2]" 1
454 1 8 LYS HA 1 8 LYS QG 2.660 . 3.520 2.586 2.366 3.369 . 0 0 "[ . 1 . 2]" 1
455 1 8 LYS QG 1 9 ARG H 3.305 . 4.810 3.723 2.451 4.086 . 0 0 "[ . 1 . 2]" 1
456 1 9 ARG H 1 9 ARG QG 2.420 . 3.040 2.265 2.079 2.460 . 0 0 "[ . 1 . 2]" 1
457 1 9 ARG QB 1 9 ARG QG 2.090 . 2.380 2.058 1.984 2.087 . 0 0 "[ . 1 . 2]" 1
458 1 9 ARG HE 1 9 ARG QG 2.640 . 3.480 2.462 2.328 2.878 . 0 0 "[ . 1 . 2]" 1
459 1 9 ARG QG 1 10 LEU H 3.430 . 5.060 3.792 2.233 4.178 . 0 0 "[ . 1 . 2]" 1
460 1 10 LEU HA 1 10 LEU QD 2.185 . 2.570 2.169 2.019 2.272 . 0 0 "[ . 1 . 2]" 1
461 1 10 LEU HB2 1 10 LEU QD 2.200 . 2.600 2.197 2.105 2.502 . 0 0 "[ . 1 . 2]" 1
462 1 10 LEU HB2 1 37 TYR QB 3.570 . 5.340 2.257 2.044 2.568 . 0 0 "[ . 1 . 2]" 1
463 1 10 LEU HB3 1 10 LEU QD 2.175 . 2.550 2.280 2.196 2.323 . 0 0 "[ . 1 . 2]" 1
464 1 10 LEU QD 1 11 GLN H 2.760 . 3.720 3.547 2.795 3.767 0.047 7 0 "[ . 1 . 2]" 1
465 1 10 LEU QD 1 13 CYS H 3.450 . 5.100 4.395 4.186 4.615 . 0 0 "[ . 1 . 2]" 1
466 1 10 LEU QD 1 13 CYS HA 3.620 . 5.440 5.507 5.416 5.605 0.165 13 0 "[ . 1 . 2]" 1
467 1 10 LEU QD 1 13 CYS HB3 2.615 . 3.430 3.045 2.904 3.159 . 0 0 "[ . 1 . 2]" 1
468 1 10 LEU QD 1 14 GLN H 2.905 . 4.010 3.409 3.105 3.621 . 0 0 "[ . 1 . 2]" 1
469 1 10 LEU QD 1 14 GLN QB 2.815 . 3.830 3.366 2.496 3.898 0.068 5 0 "[ . 1 . 2]" 1
470 1 10 LEU QD 1 14 GLN QG 2.305 . 2.810 2.577 2.126 2.890 0.080 20 0 "[ . 1 . 2]" 1
471 1 10 LEU QD 1 14 GLN HE21 2.485 . 3.170 2.365 1.824 3.180 0.010 6 0 "[ . 1 . 2]" 1
472 1 10 LEU QD 1 14 GLN HE22 2.610 . 3.420 2.803 2.388 3.076 . 0 0 "[ . 1 . 2]" 1
473 1 10 LEU QD 1 33 CYS HA 2.920 . 4.040 3.712 3.461 3.849 . 0 0 "[ . 1 . 2]" 1
474 1 10 LEU QD 1 33 CYS QB 2.270 . 2.740 2.117 1.922 2.407 . 0 0 "[ . 1 . 2]" 1
475 1 10 LEU QD 1 34 GLN H 2.710 . 3.620 3.301 3.104 3.622 0.002 9 0 "[ . 1 . 2]" 1
476 1 10 LEU QD 1 34 GLN HA 2.225 . 2.650 2.317 2.000 2.663 0.013 9 0 "[ . 1 . 2]" 1
477 1 10 LEU QD 1 34 GLN QG 2.550 . 3.300 2.535 1.968 3.307 0.007 6 0 "[ . 1 . 2]" 1
478 1 10 LEU QD 1 34 GLN QE 2.850 . 3.900 3.251 1.798 3.953 0.053 17 0 "[ . 1 . 2]" 1
479 1 10 LEU MD1 1 34 GLN HE22 4.005 . 6.210 4.820 2.455 5.933 . 0 0 "[ . 1 . 2]" 1
480 1 10 LEU MD2 1 34 GLN HE22 4.005 . 6.210 4.655 2.204 6.216 0.006 1 0 "[ . 1 . 2]" 1
481 1 10 LEU QD 1 37 TYR H 2.880 . 3.960 3.454 3.120 3.867 . 0 0 "[ . 1 . 2]" 1
482 1 10 LEU QD 1 37 TYR QB 2.330 . 2.860 2.151 1.940 2.415 . 0 0 "[ . 1 . 2]" 1
483 1 10 LEU QD 1 37 TYR QD 2.720 . 3.640 2.936 2.581 3.456 . 0 0 "[ . 1 . 2]" 1
484 1 10 LEU QD 1 37 TYR QE 3.045 . 4.290 3.617 3.126 4.255 . 0 0 "[ . 1 . 2]" 1
485 1 11 GLN H 1 11 GLN QG 2.705 . 3.610 2.393 2.009 3.700 0.090 9 0 "[ . 1 . 2]" 1
486 1 11 GLN QB 1 11 GLN QE 2.600 . 3.400 2.741 1.794 3.400 0.006 8 0 "[ . 1 . 2]" 1
487 1 11 GLN QE 1 11 GLN QG 2.445 . 3.090 2.177 2.060 2.664 . 0 0 "[ . 1 . 2]" 1
488 1 12 GLU H 1 12 GLU QB 2.260 . 2.720 2.443 2.306 2.697 . 0 0 "[ . 1 . 2]" 1
489 1 12 GLU H 1 12 GLU QG 2.455 . 3.110 2.172 1.937 2.325 . 0 0 "[ . 1 . 2]" 1
490 1 12 GLU HA 1 12 GLU QG 2.535 . 3.270 2.782 2.393 3.332 0.062 13 0 "[ . 1 . 2]" 1
491 1 12 GLU QB 1 13 CYS H 2.510 . 3.220 2.503 2.196 3.347 0.127 13 0 "[ . 1 . 2]" 1
492 1 14 GLN H 1 14 GLN QB 2.280 . 2.760 2.592 2.347 2.733 . 0 0 "[ . 1 . 2]" 1
493 1 14 GLN H 1 14 GLN QG 2.200 . 2.600 2.186 2.028 2.373 . 0 0 "[ . 1 . 2]" 1
494 1 14 GLN HA 1 14 GLN QG 2.705 . 3.610 2.924 2.340 3.367 . 0 0 "[ . 1 . 2]" 1
495 1 14 GLN QB 1 14 GLN HE21 2.415 . 3.030 2.671 1.915 2.809 . 0 0 "[ . 1 . 2]" 1
496 1 14 GLN QB 1 14 GLN HE22 2.865 . 3.930 3.554 3.305 3.621 . 0 0 "[ . 1 . 2]" 1
497 1 14 GLN QB 1 15 ARG H 2.695 . 3.590 3.142 2.499 3.608 0.018 11 0 "[ . 1 . 2]" 1
498 1 14 GLN QB 1 30 GLN HE21 3.180 . 4.560 3.975 3.041 4.623 0.063 15 0 "[ . 1 . 2]" 1
499 1 14 GLN QG 1 15 ARG H 3.100 . 4.400 3.172 2.270 4.261 . 0 0 "[ . 1 . 2]" 1
500 1 15 ARG HA 1 15 ARG QG 2.640 . 3.480 2.793 2.210 3.450 . 0 0 "[ . 1 . 2]" 1
501 1 16 ARG H 1 16 ARG QG 2.425 . 3.050 2.427 2.266 2.564 . 0 0 "[ . 1 . 2]" 1
502 1 16 ARG QG 1 17 CYS H 3.005 . 4.210 4.052 3.978 4.144 . 0 0 "[ . 1 . 2]" 1
503 1 17 CYS HA 1 26 LEU QD 2.840 . 3.880 3.672 3.513 3.885 0.005 10 0 "[ . 1 . 2]" 1
504 1 17 CYS HB2 1 26 LEU QD 2.630 . 3.460 2.750 2.562 2.968 . 0 0 "[ . 1 . 2]" 1
505 1 17 CYS HB3 1 26 LEU QD 2.205 . 2.610 2.120 2.005 2.262 . 0 0 "[ . 1 . 2]" 1
506 1 18 GLN H 1 26 LEU QD 2.665 . 3.530 3.100 2.884 3.276 . 0 0 "[ . 1 . 2]" 1
507 1 18 GLN HA 1 18 GLN QG 2.685 . 3.570 2.503 2.276 3.315 . 0 0 "[ . 1 . 2]" 1
508 1 18 GLN HA 1 26 LEU QD 2.200 . 2.600 2.003 1.797 2.166 0.003 6 0 "[ . 1 . 2]" 1
509 1 18 GLN QB 1 26 LEU QD 2.610 . 3.420 3.027 1.973 3.354 . 0 0 "[ . 1 . 2]" 1
510 1 18 GLN QG 1 19 SER H 3.250 . 4.700 3.975 2.842 4.263 . 0 0 "[ . 1 . 2]" 1
511 1 18 GLN QG 1 26 LEU QD 2.590 . 3.380 2.222 1.838 3.396 0.016 6 0 "[ . 1 . 2]" 1
512 1 19 SER H 1 26 LEU QD 3.290 . 4.780 4.227 4.048 4.407 . 0 0 "[ . 1 . 2]" 1
513 1 19 SER QB 1 20 GLU H 2.580 . 3.360 2.473 2.329 2.698 . 0 0 "[ . 1 . 2]" 1
514 1 20 GLU HA 1 20 GLU QG 2.500 . 3.200 2.512 2.349 3.052 . 0 0 "[ . 1 . 2]" 1
515 1 20 GLU HB2 1 21 GLN QG 3.570 . 5.340 2.705 2.497 2.904 . 0 0 "[ . 1 . 2]" 1
516 1 20 GLU HB2 1 21 GLN QE 3.025 . 4.250 3.317 2.365 3.938 . 0 0 "[ . 1 . 2]" 1
517 1 20 GLU HB3 1 21 GLN QE 2.890 . 3.980 3.130 2.634 3.476 . 0 0 "[ . 1 . 2]" 1
518 1 21 GLN H 1 21 GLN QG 2.430 . 3.060 2.874 2.642 3.058 . 0 0 "[ . 1 . 2]" 1
519 1 21 GLN H 1 26 LEU QD 2.800 . 3.800 3.791 3.592 3.862 0.062 13 0 "[ . 1 . 2]" 1
520 1 21 GLN HB2 1 26 LEU QD 2.595 . 3.390 2.940 2.678 3.084 . 0 0 "[ . 1 . 2]" 1
521 1 21 GLN QE 1 21 GLN QG 2.315 . 2.830 2.143 2.081 2.231 . 0 0 "[ . 1 . 2]" 1
522 1 21 GLN QG 1 26 LEU QD 2.970 . 4.140 4.059 3.628 4.182 0.042 11 0 "[ . 1 . 2]" 1
523 1 22 GLN H 1 22 GLN QB 2.720 . 3.640 3.214 2.688 3.311 . 0 0 "[ . 1 . 2]" 1
524 1 22 GLN H 1 22 GLN QG 2.530 . 3.260 2.515 2.304 2.726 . 0 0 "[ . 1 . 2]" 1
525 1 22 GLN H 1 26 LEU QD 3.145 . 4.490 4.341 4.109 4.505 0.015 9 0 "[ . 1 . 2]" 1
526 1 22 GLN HA 1 26 LEU QD 2.635 . 3.470 2.737 2.400 3.055 . 0 0 "[ . 1 . 2]" 1
527 1 22 GLN QB 1 23 GLY H 2.275 . 2.750 2.326 2.225 2.631 . 0 0 "[ . 1 . 2]" 1
528 1 22 GLN QG 1 23 GLY H 3.075 . 4.350 3.597 3.347 4.095 . 0 0 "[ . 1 . 2]" 1
529 1 23 GLY H 1 26 LEU QD 2.945 . 4.090 3.343 3.090 3.794 . 0 0 "[ . 1 . 2]" 1
530 1 24 GLN H 1 24 GLN QB 2.160 . 2.520 2.327 2.201 2.507 . 0 0 "[ . 1 . 2]" 1
531 1 24 GLN QB 1 25 ARG H 2.295 . 2.790 2.667 2.405 2.811 0.021 7 0 "[ . 1 . 2]" 1
532 1 25 ARG H 1 25 ARG QB 2.495 . 3.190 2.408 2.307 2.548 . 0 0 "[ . 1 . 2]" 1
533 1 25 ARG H 1 25 ARG QG 2.260 . 2.720 2.162 1.914 2.406 . 0 0 "[ . 1 . 2]" 1
534 1 25 ARG HA 1 25 ARG QG 2.765 . 3.730 2.717 2.274 3.041 . 0 0 "[ . 1 . 2]" 1
535 1 25 ARG QB 1 26 LEU H 2.550 . 3.300 2.629 2.468 2.791 . 0 0 "[ . 1 . 2]" 1
536 1 26 LEU H 1 26 LEU QD 2.810 . 3.820 3.783 3.752 3.837 0.017 6 0 "[ . 1 . 2]" 1
537 1 26 LEU HA 1 26 LEU QD 2.170 . 2.540 2.239 2.176 2.300 . 0 0 "[ . 1 . 2]" 1
538 1 26 LEU HB2 1 26 LEU QD 2.220 . 2.640 2.097 2.080 2.128 . 0 0 "[ . 1 . 2]" 1
539 1 26 LEU HB3 1 26 LEU QD 2.185 . 2.570 2.290 2.244 2.350 . 0 0 "[ . 1 . 2]" 1
540 1 26 LEU QD 1 27 GLN H 2.960 . 4.120 3.767 3.632 3.837 . 0 0 "[ . 1 . 2]" 1
541 1 26 LEU QD 1 29 CYS H 3.090 . 4.380 4.313 4.136 4.405 0.025 1 0 "[ . 1 . 2]" 1
542 1 26 LEU QD 1 29 CYS HB3 2.580 . 3.360 2.930 2.791 3.082 . 0 0 "[ . 1 . 2]" 1
543 1 26 LEU QD 1 30 GLN H 2.805 . 3.810 3.052 2.887 3.317 . 0 0 "[ . 1 . 2]" 1
544 1 26 LEU QD 1 30 GLN QB 2.665 . 3.530 2.804 2.408 3.586 0.056 14 0 "[ . 1 . 2]" 1
545 1 26 LEU QD 1 30 GLN QG 2.380 . 2.960 2.803 2.044 3.023 0.063 3 0 "[ . 1 . 2]" 1
546 1 26 LEU QD 1 30 GLN HE21 2.485 . 3.170 2.456 1.982 3.121 . 0 0 "[ . 1 . 2]" 1
547 1 26 LEU QD 1 30 GLN HE22 2.675 . 3.550 2.982 2.611 3.489 . 0 0 "[ . 1 . 2]" 1
548 1 27 GLN H 1 27 GLN QB 2.220 . 2.640 2.513 2.393 2.655 0.015 1 0 "[ . 1 . 2]" 1
549 1 27 GLN HA 1 30 GLN QG 3.570 . 5.340 2.745 2.110 4.495 . 0 0 "[ . 1 . 2]" 1
550 1 28 GLU H 1 28 GLU QB 2.295 . 2.790 2.444 2.234 2.544 . 0 0 "[ . 1 . 2]" 1
551 1 28 GLU H 1 28 GLU QG 2.255 . 2.710 2.193 2.045 2.567 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLU HA 1 28 GLU QG 2.660 . 3.520 2.611 2.265 2.988 . 0 0 "[ . 1 . 2]" 1
553 1 28 GLU QB 1 29 CYS H 2.390 . 2.980 2.446 2.279 2.758 . 0 0 "[ . 1 . 2]" 1
554 1 30 GLN H 1 30 GLN QB 2.495 . 3.190 2.573 2.339 2.694 . 0 0 "[ . 1 . 2]" 1
555 1 30 GLN H 1 30 GLN QG 2.200 . 2.600 2.214 2.026 2.510 . 0 0 "[ . 1 . 2]" 1
556 1 30 GLN HA 1 30 GLN QG 2.665 . 3.530 3.145 2.264 3.369 . 0 0 "[ . 1 . 2]" 1
557 1 30 GLN QB 1 30 GLN HE21 2.510 . 3.220 2.096 1.796 2.718 0.004 2 0 "[ . 1 . 2]" 1
558 1 30 GLN QB 1 30 GLN HE22 2.820 . 3.840 3.320 3.191 3.572 . 0 0 "[ . 1 . 2]" 1
559 1 30 GLN QG 1 31 GLN H 3.050 . 4.300 2.770 2.058 4.329 0.029 1 0 "[ . 1 . 2]" 1
560 1 31 GLN H 1 31 GLN QB 2.150 . 2.500 2.235 2.173 2.285 . 0 0 "[ . 1 . 2]" 1
561 1 32 ARG H 1 32 ARG QB 2.345 . 2.890 2.456 2.332 2.621 . 0 0 "[ . 1 . 2]" 1
562 1 32 ARG H 1 32 ARG QG 2.400 . 3.000 2.291 2.103 2.554 . 0 0 "[ . 1 . 2]" 1
563 1 32 ARG QB 1 32 ARG QD 2.540 . 3.280 2.283 2.070 2.837 . 0 0 "[ . 1 . 2]" 1
564 1 32 ARG QB 1 32 ARG HE 3.085 . 4.370 3.139 1.790 4.002 0.010 6 0 "[ . 1 . 2]" 1
565 1 32 ARG QB 1 33 CYS H 2.650 . 3.500 2.661 2.254 3.564 0.064 10 0 "[ . 1 . 2]" 1
566 1 32 ARG QG 1 33 CYS H 3.345 . 4.890 4.012 2.519 4.369 . 0 0 "[ . 1 . 2]" 1
567 1 33 CYS QB 1 34 GLN HA 3.490 . 5.180 3.888 3.804 3.988 . 0 0 "[ . 1 . 2]" 1
568 1 34 GLN HA 1 35 GLN QE 3.435 . 5.070 4.772 4.363 5.129 0.059 5 0 "[ . 1 . 2]" 1
569 1 34 GLN HB2 1 34 GLN QE 3.230 . 4.660 3.730 3.384 4.280 . 0 0 "[ . 1 . 2]" 1
570 1 34 GLN HB2 1 35 GLN QE 3.140 . 4.480 2.784 2.095 3.390 . 0 0 "[ . 1 . 2]" 1
571 1 34 GLN HB3 1 34 GLN QE 3.090 . 4.380 3.196 1.871 4.124 . 0 0 "[ . 1 . 2]" 1
572 1 34 GLN QE 1 34 GLN QG 2.440 . 3.080 2.236 2.094 2.761 . 0 0 "[ . 1 . 2]" 1
573 1 34 GLN QG 1 35 GLN QE 3.285 . 4.770 4.509 3.511 4.804 0.034 17 0 "[ . 1 . 2]" 1
574 1 35 GLN H 1 35 GLN QG 2.320 . 2.840 2.303 2.076 3.011 0.171 9 0 "[ . 1 . 2]" 1
575 1 35 GLN HA 1 35 GLN QG 2.530 . 3.260 3.010 2.320 3.178 . 0 0 "[ . 1 . 2]" 1
576 1 35 GLN HB3 1 35 GLN QE 3.045 . 4.290 3.785 3.643 4.062 . 0 0 "[ . 1 . 2]" 1
577 1 35 GLN QE 1 35 GLN QG 2.460 . 3.120 2.139 2.068 2.238 . 0 0 "[ . 1 . 2]" 1
578 1 35 GLN QG 1 36 GLU H 3.255 . 4.710 3.972 3.774 4.439 . 0 0 "[ . 1 . 2]" 1
579 1 37 TYR QB 1 38 GLN H 2.390 . 2.980 2.596 2.312 2.831 . 0 0 "[ . 1 . 2]" 1
580 1 37 TYR QD 1 38 GLN QB 3.570 . 5.340 4.614 3.886 5.102 . 0 0 "[ . 1 . 2]" 1
581 1 38 GLN H 1 38 GLN QB 2.465 . 3.130 2.443 2.347 2.565 . 0 0 "[ . 1 . 2]" 1
582 1 38 GLN H 1 38 GLN QG 2.495 . 3.190 2.256 2.015 2.421 . 0 0 "[ . 1 . 2]" 1
583 1 38 GLN HA 1 38 GLN QG 2.635 . 3.470 2.532 2.386 3.023 . 0 0 "[ . 1 . 2]" 1
584 1 38 GLN QB 1 38 GLN QE 3.215 . 4.630 2.788 1.797 3.545 0.003 17 0 "[ . 1 . 2]" 1
585 1 38 GLN QB 1 39 ARG H 2.620 . 3.440 2.713 2.396 2.917 . 0 0 "[ . 1 . 2]" 1
586 1 38 GLN QE 1 38 GLN QG 2.515 . 3.230 2.249 2.091 2.698 . 0 0 "[ . 1 . 2]" 1
587 1 39 ARG H 1 39 ARG QG 2.575 . 3.350 2.310 2.086 2.554 . 0 0 "[ . 1 . 2]" 1
588 1 40 GLU H 1 40 GLU QB 2.320 . 2.840 2.456 2.231 2.865 0.025 12 0 "[ . 1 . 2]" 1
589 1 40 GLU H 1 40 GLU QG 2.300 . 2.800 2.494 2.099 2.833 0.033 6 0 "[ . 1 . 2]" 1
590 1 40 GLU QB 1 41 LYS H 3.075 . 4.350 3.336 2.625 4.054 . 0 0 "[ . 1 . 2]" 1
591 1 40 GLU QG 1 41 LYS H 3.115 . 4.430 4.207 3.078 4.486 0.056 19 0 "[ . 1 . 2]" 1
592 1 41 LYS QB 1 41 LYS QE 3.225 . 4.650 2.749 1.879 3.627 . 0 0 "[ . 1 . 2]" 1
593 1 42 GLY H 1 42 GLY QA 2.175 . 2.550 2.304 2.208 2.459 . 0 0 "[ . 1 . 2]" 1
594 1 42 GLY QA 1 43 GLN H 2.375 . 2.950 2.275 2.048 2.610 . 0 0 "[ . 1 . 2]" 1
595 1 43 GLN H 1 43 GLN QB 2.275 . 2.750 2.542 2.370 2.755 0.005 9 0 "[ . 1 . 2]" 1
596 1 43 GLN QB 1 44 HIS H 2.975 . 4.150 3.179 2.307 3.810 . 0 0 "[ . 1 . 2]" 1
597 1 44 HIS H 1 44 HIS QB 2.480 . 3.160 2.573 2.195 3.171 0.011 17 0 "[ . 1 . 2]" 1
598 1 45 GLN H 1 45 GLN QB 2.340 . 2.880 2.410 2.200 2.618 . 0 0 "[ . 1 . 2]" 1
599 1 45 GLN H 1 45 GLN QG 2.935 . 4.070 3.095 2.138 4.113 0.043 16 0 "[ . 1 . 2]" 1
600 1 47 GLU H 1 47 GLU QB 2.545 . 3.290 2.565 2.165 3.346 0.056 13 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 37
_Distance_constraint_stats_list.Viol_total 15.109
_Distance_constraint_stats_list.Viol_max 0.090
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0204
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.012 0.012 7 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.078 0.076 8 0 "[ . 1 . 2]"
1 8 LYS 0.067 0.041 19 0 "[ . 1 . 2]"
1 9 ARG 0.012 0.012 7 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.078 0.076 8 0 "[ . 1 . 2]"
1 12 GLU 0.083 0.041 19 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.016 0.011 19 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.040 0.015 1 0 "[ . 1 . 2]"
1 23 GLY 0.151 0.041 19 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.040 0.015 1 0 "[ . 1 . 2]"
1 27 GLN 0.224 0.041 19 0 "[ . 1 . 2]"
1 28 GLU 0.071 0.033 17 0 "[ . 1 . 2]"
1 29 CYS 0.049 0.017 16 0 "[ . 1 . 2]"
1 30 GLN 0.090 0.090 9 0 "[ . 1 . 2]"
1 31 GLN 0.072 0.024 13 0 "[ . 1 . 2]"
1 32 ARG 0.093 0.033 17 0 "[ . 1 . 2]"
1 33 CYS 0.049 0.017 16 0 "[ . 1 . 2]"
1 34 GLN 0.090 0.090 9 0 "[ . 1 . 2]"
1 36 GLU 0.110 0.052 3 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.088 0.052 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ASP O 1 8 LYS H 2.300 . 2.300 1.976 1.761 2.214 . 0 0 "[ . 1 . 2]" 2
2 1 4 ASP O 1 8 LYS N 3.300 . 3.300 2.884 2.689 3.143 . 0 0 "[ . 1 . 2]" 2
3 1 5 LYS O 1 9 ARG H 2.300 . 2.300 2.013 1.845 2.312 0.012 7 0 "[ . 1 . 2]" 2
4 1 5 LYS O 1 9 ARG N 3.300 . 3.300 2.964 2.793 3.252 . 0 0 "[ . 1 . 2]" 2
5 1 6 SER O 1 10 LEU H 2.300 . 2.300 2.037 1.830 2.221 . 0 0 "[ . 1 . 2]" 2
6 1 6 SER O 1 10 LEU N 3.300 . 3.300 2.926 2.756 3.082 . 0 0 "[ . 1 . 2]" 2
7 1 7 TYR O 1 11 GLN H 2.300 . 2.300 1.991 1.782 2.376 0.076 8 0 "[ . 1 . 2]" 2
8 1 7 TYR O 1 11 GLN N 3.300 . 3.300 2.940 2.760 3.302 0.002 8 0 "[ . 1 . 2]" 2
9 1 8 LYS O 1 12 GLU H 2.300 . 2.300 2.066 1.708 2.341 0.041 19 0 "[ . 1 . 2]" 2
10 1 8 LYS O 1 12 GLU N 3.300 . 3.300 3.039 2.656 3.325 0.025 19 0 "[ . 1 . 2]" 2
11 1 9 ARG O 1 13 CYS H 2.300 . 2.300 1.863 1.678 2.153 . 0 0 "[ . 1 . 2]" 2
12 1 9 ARG O 1 13 CYS N 3.300 . 3.300 2.794 2.619 3.068 . 0 0 "[ . 1 . 2]" 2
13 1 10 LEU O 1 14 GLN H 2.300 . 2.300 1.894 1.740 2.090 . 0 0 "[ . 1 . 2]" 2
14 1 10 LEU O 1 14 GLN N 3.300 . 3.300 2.865 2.723 3.052 . 0 0 "[ . 1 . 2]" 2
15 1 11 GLN O 1 15 ARG H 2.300 . 2.300 1.944 1.762 2.229 . 0 0 "[ . 1 . 2]" 2
16 1 11 GLN O 1 15 ARG N 3.300 . 3.300 2.893 2.705 3.157 . 0 0 "[ . 1 . 2]" 2
17 1 12 GLU O 1 16 ARG H 2.300 . 2.300 2.015 1.812 2.311 0.011 19 0 "[ . 1 . 2]" 2
18 1 12 GLU O 1 16 ARG N 3.300 . 3.300 2.924 2.753 3.176 . 0 0 "[ . 1 . 2]" 2
19 1 13 CYS O 1 17 CYS H 2.300 . 2.300 1.960 1.861 2.110 . 0 0 "[ . 1 . 2]" 2
20 1 13 CYS O 1 17 CYS N 3.300 . 3.300 2.917 2.816 3.075 . 0 0 "[ . 1 . 2]" 2
21 1 14 GLN O 1 18 GLN H 2.300 . 2.300 2.037 1.847 2.287 . 0 0 "[ . 1 . 2]" 2
22 1 14 GLN O 1 18 GLN N 3.300 . 3.300 2.911 2.749 3.150 . 0 0 "[ . 1 . 2]" 2
23 1 16 ARG O 1 20 GLU H 2.300 . 2.300 1.798 1.697 1.999 . 0 0 "[ . 1 . 2]" 2
24 1 16 ARG O 1 20 GLU N 3.300 . 3.300 2.772 2.677 2.974 . 0 0 "[ . 1 . 2]" 2
25 1 17 CYS O 1 21 GLN H 2.300 . 2.300 1.942 1.855 2.122 . 0 0 "[ . 1 . 2]" 2
26 1 17 CYS O 1 21 GLN N 3.300 . 3.300 2.787 2.712 2.901 . 0 0 "[ . 1 . 2]" 2
27 1 22 GLN O 1 26 LEU H 2.300 . 2.300 2.212 2.084 2.315 0.015 1 0 "[ . 1 . 2]" 2
28 1 22 GLN O 1 26 LEU N 3.300 . 3.300 3.079 2.912 3.198 . 0 0 "[ . 1 . 2]" 2
29 1 23 GLY O 1 27 GLN H 2.300 . 2.300 2.201 1.903 2.341 0.041 19 0 "[ . 1 . 2]" 2
30 1 23 GLY O 1 27 GLN N 3.300 . 3.300 3.131 2.838 3.283 . 0 0 "[ . 1 . 2]" 2
31 1 25 ARG O 1 29 CYS H 2.300 . 2.300 1.959 1.855 2.115 . 0 0 "[ . 1 . 2]" 2
32 1 25 ARG O 1 29 CYS N 3.300 . 3.300 2.881 2.749 3.035 . 0 0 "[ . 1 . 2]" 2
33 1 26 LEU O 1 30 GLN H 2.300 . 2.300 1.809 1.758 1.912 . 0 0 "[ . 1 . 2]" 2
34 1 26 LEU O 1 30 GLN N 3.300 . 3.300 2.795 2.742 2.898 . 0 0 "[ . 1 . 2]" 2
35 1 27 GLN O 1 31 GLN H 2.300 . 2.300 2.172 2.007 2.324 0.024 13 0 "[ . 1 . 2]" 2
36 1 27 GLN O 1 31 GLN N 3.300 . 3.300 3.036 2.858 3.202 . 0 0 "[ . 1 . 2]" 2
37 1 28 GLU O 1 32 ARG H 2.300 . 2.300 2.077 1.875 2.333 0.033 17 0 "[ . 1 . 2]" 2
38 1 28 GLU O 1 32 ARG N 3.300 . 3.300 2.987 2.793 3.232 . 0 0 "[ . 1 . 2]" 2
39 1 29 CYS O 1 33 CYS H 2.300 . 2.300 2.193 1.932 2.317 0.017 16 0 "[ . 1 . 2]" 2
40 1 29 CYS O 1 33 CYS N 3.300 . 3.300 3.106 2.877 3.251 . 0 0 "[ . 1 . 2]" 2
41 1 30 GLN O 1 34 GLN H 2.300 . 2.300 2.072 1.882 2.390 0.090 9 0 "[ . 1 . 2]" 2
42 1 30 GLN O 1 34 GLN N 3.300 . 3.300 2.964 2.828 3.200 . 0 0 "[ . 1 . 2]" 2
43 1 32 ARG O 1 36 GLU H 2.300 . 2.300 1.944 1.751 2.322 0.022 19 0 "[ . 1 . 2]" 2
44 1 32 ARG O 1 36 GLU N 3.300 . 3.300 2.898 2.721 3.258 . 0 0 "[ . 1 . 2]" 2
45 1 33 CYS O 1 37 TYR H 2.300 . 2.300 1.944 1.831 2.100 . 0 0 "[ . 1 . 2]" 2
46 1 33 CYS O 1 37 TYR N 3.300 . 3.300 2.888 2.761 3.052 . 0 0 "[ . 1 . 2]" 2
47 1 36 GLU O 1 40 GLU H 2.300 . 2.300 2.002 1.740 2.352 0.052 3 0 "[ . 1 . 2]" 2
48 1 36 GLU O 1 40 GLU N 3.300 . 3.300 2.870 2.708 3.307 0.007 19 0 "[ . 1 . 2]" 2
stop_
save_
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