NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556180 |
2loc   |
18206 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2loc
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 312
_Distance_constraint_stats_list.Viol_count 820
_Distance_constraint_stats_list.Viol_total 1759.978
_Distance_constraint_stats_list.Viol_max 1.406
_Distance_constraint_stats_list.Viol_rms 0.0670
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0141
_Distance_constraint_stats_list.Viol_average_violations_only 0.1073
_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 VAL 1.316 0.122 19 0 "[ . 1 . 2]"
1 2 DAL 28.348 1.406 16 9 "[* . * *1 ***-+* 2]"
1 3 GLU 5.738 0.378 15 0 "[ . 1 . 2]"
1 4 ARG 16.427 1.106 13 10 "[* * * -1* +*** * 2]"
1 5 CYS 0.061 0.061 10 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 4.208 0.194 18 0 "[ . 1 . 2]"
1 8 ASN 15.034 0.764 5 4 "[ + 1* -. * 2]"
1 9 GLY 5.542 0.175 15 0 "[ . 1 . 2]"
1 10 LYS 3.916 0.182 2 0 "[ . 1 . 2]"
1 11 ARG 19.393 0.339 6 0 "[ . 1 . 2]"
1 12 GLY 8.793 0.339 6 0 "[ . 1 . 2]"
1 13 CYS 2.559 0.144 13 0 "[ . 1 . 2]"
1 14 GLY 0.622 0.104 8 0 "[ . 1 . 2]"
1 15 ARG 1.618 0.106 20 0 "[ . 1 . 2]"
1 16 TRP 33.570 1.406 16 8 "[* . * 1 ***-+* 2]"
1 17 CYS 0.531 0.106 6 0 "[ . 1 . 2]"
1 18 ARG 5.533 0.153 1 0 "[ . 1 . 2]"
1 19 ASP 3.825 0.337 3 0 "[ . 1 . 2]"
1 20 HIS 2.389 0.155 2 0 "[ . 1 . 2]"
1 21 SER 0.775 0.118 9 0 "[ . 1 . 2]"
1 22 ARG 0.589 0.256 7 0 "[ . 1 . 2]"
1 23 CYS 0.953 0.256 7 0 "[ . 1 . 2]"
1 24 CYS 3.480 0.144 13 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 1 VAL HA 1 1 VAL QG 3.060 . 3.060 2.139 1.990 2.361 . 0 0 "[ . 1 . 2]" 1
2 1 1 VAL HA 1 2 DAL H 4.070 . 4.070 2.621 2.280 3.499 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 3 GLU H 4.860 . 4.860 3.848 3.277 4.866 0.006 18 0 "[ . 1 . 2]" 1
4 1 1 VAL HB 1 2 DAL H 5.450 . 5.450 2.806 1.791 4.032 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HB 1 2 DAL HA 5.500 . 5.500 4.607 4.115 5.056 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL HB 1 3 GLU H 5.500 . 5.500 4.769 3.957 5.571 0.071 8 0 "[ . 1 . 2]" 1
7 1 1 VAL QG 1 2 DAL H 5.150 . 5.150 2.448 1.804 3.141 . 0 0 "[ . 1 . 2]" 1
8 1 1 VAL QG 1 2 DAL HA 4.170 . 4.170 3.919 3.459 4.180 0.010 20 0 "[ . 1 . 2]" 1
9 1 1 VAL QG 1 3 GLU H 5.500 . 5.500 4.173 2.946 4.621 . 0 0 "[ . 1 . 2]" 1
10 1 1 VAL QG 1 16 TRP HD1 5.500 . 5.500 5.361 4.903 5.622 0.122 19 0 "[ . 1 . 2]" 1
11 1 1 VAL QG 1 16 TRP HE1 4.910 . 4.910 3.493 2.982 3.771 . 0 0 "[ . 1 . 2]" 1
12 1 1 VAL QG 1 16 TRP HH2 4.720 . 4.720 2.675 1.863 3.037 . 0 0 "[ . 1 . 2]" 1
13 1 1 VAL QG 1 16 TRP HZ2 5.050 . 5.050 1.843 1.626 2.010 . 0 0 "[ . 1 . 2]" 1
14 1 1 VAL QG 1 16 TRP HZ3 4.510 . 4.510 4.457 3.762 4.600 0.090 12 0 "[ . 1 . 2]" 1
15 1 2 DAL H 1 2 DAL HA 5.380 . 5.380 2.944 2.788 3.000 . 0 0 "[ . 1 . 2]" 1
16 1 2 DAL H 1 2 DAL HB1 4.550 . 4.550 3.098 2.215 3.946 . 0 0 "[ . 1 . 2]" 1
17 1 2 DAL H 1 3 GLU H 4.680 . 4.680 2.654 2.071 3.664 . 0 0 "[ . 1 . 2]" 1
18 1 2 DAL HA 1 2 DAL HB1 3.060 . 3.060 2.718 2.231 2.978 . 0 0 "[ . 1 . 2]" 1
19 1 2 DAL HA 1 16 TRP HH2 4.410 . 4.410 4.012 3.746 4.248 . 0 0 "[ . 1 . 2]" 1
20 1 2 DAL HA 1 16 TRP HZ2 5.500 . 5.500 5.584 5.494 5.669 0.169 18 0 "[ . 1 . 2]" 1
21 1 2 DAL HA 1 16 TRP HZ3 4.840 . 4.840 4.711 4.405 4.921 0.081 20 0 "[ . 1 . 2]" 1
22 1 2 DAL HB1 1 3 GLU H 4.280 . 4.280 3.999 2.226 4.658 0.378 15 0 "[ . 1 . 2]" 1
23 1 2 DAL HB1 1 4 ARG H 4.450 . 4.450 4.442 2.955 5.556 1.106 13 7 "[* . * -1 +*** 2]" 1
24 1 2 DAL HB1 1 16 TRP HE3 4.370 . 4.370 4.277 3.452 5.482 1.112 14 4 "[ . * 1 +-* 2]" 1
25 1 2 DAL HB1 1 16 TRP HH2 3.070 . 3.070 2.918 2.220 3.943 0.873 16 5 "[- . * 1 * *+ 2]" 1
26 1 2 DAL HB1 1 16 TRP HZ2 4.080 . 4.080 4.284 3.184 5.486 1.406 16 7 "[* . * 1 -* *+* 2]" 1
27 1 2 DAL HB1 1 16 TRP HZ3 3.420 . 3.420 2.861 1.969 4.061 0.641 14 1 "[ . 1 +. 2]" 1
28 1 3 GLU H 1 3 GLU QB 3.750 . 3.750 2.539 2.169 3.224 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU H 1 3 GLU HG2 4.750 . 4.750 2.237 1.861 3.070 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLU H 1 3 GLU HG3 4.540 . 4.540 2.825 1.876 3.631 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLU H 1 4 ARG H 4.110 . 4.110 2.847 1.920 3.439 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU HA 1 3 GLU HG2 4.030 . 4.030 3.793 3.570 3.947 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLU HA 1 3 GLU HG3 3.870 . 3.870 3.637 3.484 3.887 0.017 16 0 "[ . 1 . 2]" 1
34 1 3 GLU HA 1 4 ARG H 3.460 . 3.460 3.555 3.441 3.591 0.131 17 0 "[ . 1 . 2]" 1
35 1 3 GLU HA 1 5 CYS H 5.270 . 5.270 4.475 4.008 4.918 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLU QB 1 4 ARG H 4.060 . 4.060 3.316 2.753 3.759 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLU QB 1 16 TRP HH2 5.200 . 5.200 5.068 4.559 5.314 0.114 8 0 "[ . 1 . 2]" 1
38 1 3 GLU HG2 1 4 ARG H 4.980 . 4.980 2.943 2.075 3.909 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLU HG2 1 16 TRP HH2 5.080 . 5.080 3.841 3.013 4.279 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLU HG2 1 16 TRP HZ3 5.270 . 5.270 5.172 4.164 5.438 0.168 7 0 "[ . 1 . 2]" 1
41 1 3 GLU HG3 1 4 ARG H 4.800 . 4.800 2.000 1.675 3.210 . 0 0 "[ . 1 . 2]" 1
42 1 3 GLU HG3 1 16 TRP HH2 5.500 . 5.500 3.833 2.490 4.870 . 0 0 "[ . 1 . 2]" 1
43 1 3 GLU HG3 1 16 TRP HZ3 5.310 . 5.310 4.542 3.596 5.292 . 0 0 "[ . 1 . 2]" 1
44 1 4 ARG H 1 4 ARG HB2 3.240 . 3.240 2.601 2.366 2.799 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG H 1 4 ARG HB3 3.680 . 3.680 3.590 3.570 3.615 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG H 1 4 ARG QD 4.280 . 4.280 3.355 2.286 4.007 . 0 0 "[ . 1 . 2]" 1
47 1 4 ARG H 1 4 ARG HG2 3.580 . 3.580 1.971 1.830 2.278 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG H 1 4 ARG HG3 3.650 . 3.650 3.292 2.306 3.600 . 0 0 "[ . 1 . 2]" 1
49 1 4 ARG H 1 5 CYS H 4.700 . 4.700 3.061 2.521 3.331 . 0 0 "[ . 1 . 2]" 1
50 1 4 ARG HA 1 4 ARG HG2 3.670 . 3.670 2.956 2.431 3.472 . 0 0 "[ . 1 . 2]" 1
51 1 4 ARG HA 1 4 ARG HG3 3.670 . 3.670 3.693 3.591 3.745 0.075 3 0 "[ . 1 . 2]" 1
52 1 4 ARG HA 1 5 CYS H 3.980 . 3.980 3.589 3.548 3.625 . 0 0 "[ . 1 . 2]" 1
53 1 4 ARG HA 1 7 LYS HB2 3.650 . 3.650 2.607 2.241 3.190 . 0 0 "[ . 1 . 2]" 1
54 1 4 ARG HA 1 7 LYS QG 3.970 . 3.970 3.786 3.375 4.114 0.144 15 0 "[ . 1 . 2]" 1
55 1 4 ARG HB2 1 4 ARG QD 3.160 . 3.160 3.262 3.021 3.317 0.157 12 0 "[ . 1 . 2]" 1
56 1 4 ARG HB2 1 4 ARG HE 5.500 . 5.500 4.573 3.588 5.024 . 0 0 "[ . 1 . 2]" 1
57 1 4 ARG HB2 1 5 CYS H 4.820 . 4.820 2.464 2.219 2.944 . 0 0 "[ . 1 . 2]" 1
58 1 4 ARG HB2 1 16 TRP HH2 4.120 . 4.120 3.460 2.962 4.019 . 0 0 "[ . 1 . 2]" 1
59 1 4 ARG HB2 1 16 TRP HZ2 5.500 . 5.500 5.110 4.252 5.571 0.071 12 0 "[ . 1 . 2]" 1
60 1 4 ARG HB2 1 16 TRP HZ3 4.650 . 4.650 1.878 1.593 2.370 . 0 0 "[ . 1 . 2]" 1
61 1 4 ARG HB3 1 5 CYS H 5.500 . 5.500 3.531 3.263 3.984 . 0 0 "[ . 1 . 2]" 1
62 1 4 ARG HB3 1 16 TRP HE3 4.600 . 4.600 4.141 3.707 4.608 0.008 12 0 "[ . 1 . 2]" 1
63 1 4 ARG HB3 1 16 TRP HH2 5.500 . 5.500 4.982 4.553 5.480 . 0 0 "[ . 1 . 2]" 1
64 1 4 ARG HB3 1 16 TRP HZ3 4.610 . 4.610 3.594 3.304 4.112 . 0 0 "[ . 1 . 2]" 1
65 1 4 ARG QD 1 8 ASN HD21 5.450 . 5.450 3.031 2.281 3.677 . 0 0 "[ . 1 . 2]" 1
66 1 4 ARG QD 1 8 ASN HD22 4.700 . 4.700 3.382 2.816 4.703 0.003 5 0 "[ . 1 . 2]" 1
67 1 4 ARG HG2 1 5 CYS H 5.150 . 5.150 4.279 4.022 4.486 . 0 0 "[ . 1 . 2]" 1
68 1 4 ARG HG2 1 8 ASN HD21 4.940 . 4.940 4.997 4.006 5.704 0.764 5 4 "[ + 1* -. * 2]" 1
69 1 4 ARG HG2 1 16 TRP HH2 4.260 . 4.260 3.142 2.316 4.016 . 0 0 "[ . 1 . 2]" 1
70 1 4 ARG HG2 1 16 TRP HZ3 4.420 . 4.420 3.422 2.706 3.799 . 0 0 "[ . 1 . 2]" 1
71 1 4 ARG HG3 1 5 CYS H 5.160 . 5.160 4.755 4.109 5.221 0.061 10 0 "[ . 1 . 2]" 1
72 1 4 ARG HG3 1 16 TRP HE3 5.290 . 5.290 4.530 3.722 5.191 . 0 0 "[ . 1 . 2]" 1
73 1 4 ARG HG3 1 16 TRP HH2 4.420 . 4.420 3.591 2.440 4.257 . 0 0 "[ . 1 . 2]" 1
74 1 4 ARG HG3 1 16 TRP HZ2 5.500 . 5.500 4.540 3.461 5.144 . 0 0 "[ . 1 . 2]" 1
75 1 4 ARG HG3 1 16 TRP HZ3 4.560 . 4.560 3.578 2.470 4.433 . 0 0 "[ . 1 . 2]" 1
76 1 5 CYS H 1 6 CYS H 4.690 . 4.690 3.170 2.970 3.575 . 0 0 "[ . 1 . 2]" 1
77 1 5 CYS HA 1 6 CYS H 5.500 . 5.500 3.583 3.526 3.603 . 0 0 "[ . 1 . 2]" 1
78 1 5 CYS HA 1 7 LYS H 4.760 . 4.760 4.393 4.064 4.754 . 0 0 "[ . 1 . 2]" 1
79 1 5 CYS HB2 1 6 CYS H 4.020 . 4.020 3.499 3.341 3.640 . 0 0 "[ . 1 . 2]" 1
80 1 5 CYS HB2 1 17 CYS HA 4.430 . 4.430 2.632 2.336 3.006 . 0 0 "[ . 1 . 2]" 1
81 1 5 CYS HB2 1 21 SER HB2 3.620 . 3.620 2.483 2.207 2.967 . 0 0 "[ . 1 . 2]" 1
82 1 5 CYS HB2 1 21 SER HB3 3.930 . 3.930 2.623 2.061 3.046 . 0 0 "[ . 1 . 2]" 1
83 1 5 CYS HB3 1 6 CYS H 4.610 . 4.610 2.023 1.845 2.301 . 0 0 "[ . 1 . 2]" 1
84 1 5 CYS HB3 1 17 CYS HA 4.640 . 4.640 4.019 3.654 4.447 . 0 0 "[ . 1 . 2]" 1
85 1 5 CYS HB3 1 21 SER HB2 3.580 . 3.580 3.042 2.638 3.316 . 0 0 "[ . 1 . 2]" 1
86 1 5 CYS HB3 1 21 SER HB3 3.920 . 3.920 2.220 1.844 3.285 . 0 0 "[ . 1 . 2]" 1
87 1 6 CYS H 1 7 LYS H 4.550 . 4.550 2.759 2.492 3.007 . 0 0 "[ . 1 . 2]" 1
88 1 6 CYS HA 1 7 LYS H 3.770 . 3.770 3.539 3.426 3.595 . 0 0 "[ . 1 . 2]" 1
89 1 6 CYS HA 1 8 ASN H 5.230 . 5.230 4.661 4.153 5.007 . 0 0 "[ . 1 . 2]" 1
90 1 6 CYS HB2 1 7 LYS H 4.390 . 4.390 3.065 2.674 3.485 . 0 0 "[ . 1 . 2]" 1
91 1 6 CYS HB3 1 7 LYS H 4.410 . 4.410 3.588 3.067 4.196 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS H 1 7 LYS HB2 3.500 . 3.500 2.200 1.950 2.362 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS H 1 7 LYS HB3 3.600 . 3.600 3.460 2.903 3.583 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS H 1 7 LYS QD 4.740 . 4.740 4.184 3.173 4.493 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS H 1 7 LYS QE 5.500 . 5.500 4.645 3.913 4.966 . 0 0 "[ . 1 . 2]" 1
96 1 7 LYS H 1 7 LYS QG 3.880 . 3.880 2.751 2.374 3.862 . 0 0 "[ . 1 . 2]" 1
97 1 7 LYS H 1 8 ASN H 3.860 . 3.860 2.614 2.371 2.850 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS HA 1 7 LYS HB3 2.870 . 2.870 2.628 2.506 2.961 0.091 16 0 "[ . 1 . 2]" 1
99 1 7 LYS HA 1 7 LYS QD 3.470 . 3.470 2.921 2.033 3.664 0.194 18 0 "[ . 1 . 2]" 1
100 1 7 LYS HA 1 7 LYS QG 3.430 . 3.430 2.263 1.949 2.466 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS HA 1 8 ASN H 3.580 . 3.580 3.564 3.525 3.583 0.003 19 0 "[ . 1 . 2]" 1
102 1 7 LYS HA 1 9 GLY H 4.140 . 4.140 4.149 3.938 4.255 0.115 5 0 "[ . 1 . 2]" 1
103 1 7 LYS HB2 1 8 ASN H 4.200 . 4.200 2.565 2.259 3.506 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS HB2 1 8 ASN HD21 5.020 . 5.020 3.850 3.627 4.731 . 0 0 "[ . 1 . 2]" 1
105 1 7 LYS HB2 1 8 ASN HD22 5.470 . 5.470 4.932 4.622 5.605 0.135 16 0 "[ . 1 . 2]" 1
106 1 7 LYS HB3 1 8 ASN H 3.930 . 3.930 3.203 2.432 3.568 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS QD 1 8 ASN H 5.210 . 5.210 5.035 4.689 5.276 0.066 11 0 "[ . 1 . 2]" 1
108 1 7 LYS QE 1 8 ASN HD22 5.150 . 5.150 5.186 5.041 5.251 0.101 19 0 "[ . 1 . 2]" 1
109 1 7 LYS QG 1 8 ASN H 4.710 . 4.710 4.099 3.956 4.305 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS QG 1 8 ASN HD21 5.250 . 5.250 5.335 5.210 5.388 0.138 11 0 "[ . 1 . 2]" 1
111 1 8 ASN H 1 8 ASN HB2 3.690 . 3.690 2.005 1.961 2.045 . 0 0 "[ . 1 . 2]" 1
112 1 8 ASN H 1 8 ASN HB3 3.910 . 3.910 3.348 3.310 3.389 . 0 0 "[ . 1 . 2]" 1
113 1 8 ASN H 1 8 ASN HD21 5.110 . 5.110 3.168 2.914 3.501 . 0 0 "[ . 1 . 2]" 1
114 1 8 ASN H 1 8 ASN HD22 5.500 . 5.500 4.453 4.218 4.698 . 0 0 "[ . 1 . 2]" 1
115 1 8 ASN H 1 9 GLY H 3.750 . 3.750 2.579 2.447 2.721 . 0 0 "[ . 1 . 2]" 1
116 1 8 ASN HA 1 8 ASN HD21 4.060 . 4.060 3.839 3.613 3.973 . 0 0 "[ . 1 . 2]" 1
117 1 8 ASN HA 1 8 ASN HD22 4.670 . 4.670 4.069 3.933 4.158 . 0 0 "[ . 1 . 2]" 1
118 1 8 ASN HA 1 9 GLY H 3.280 . 3.280 3.400 3.303 3.455 0.175 15 0 "[ . 1 . 2]" 1
119 1 8 ASN HB2 1 8 ASN HD21 3.080 . 3.080 2.220 2.198 2.239 . 0 0 "[ . 1 . 2]" 1
120 1 8 ASN HB2 1 8 ASN HD22 3.780 . 3.780 3.491 3.476 3.504 . 0 0 "[ . 1 . 2]" 1
121 1 8 ASN HB2 1 9 GLY H 4.310 . 4.310 3.458 3.255 3.721 . 0 0 "[ . 1 . 2]" 1
122 1 8 ASN HB2 1 12 GLY H 5.310 . 5.310 3.182 2.976 3.364 . 0 0 "[ . 1 . 2]" 1
123 1 8 ASN HB2 1 12 GLY HA2 4.840 . 4.840 2.771 2.338 3.438 . 0 0 "[ . 1 . 2]" 1
124 1 8 ASN HB2 1 12 GLY HA3 5.080 . 5.080 2.817 2.398 3.254 . 0 0 "[ . 1 . 2]" 1
125 1 8 ASN HB3 1 8 ASN HD21 3.280 . 3.280 3.348 3.284 3.387 0.107 20 0 "[ . 1 . 2]" 1
126 1 8 ASN HB3 1 8 ASN HD22 4.030 . 4.030 3.984 3.948 4.007 . 0 0 "[ . 1 . 2]" 1
127 1 8 ASN HB3 1 9 GLY H 4.190 . 4.190 3.762 3.604 3.984 . 0 0 "[ . 1 . 2]" 1
128 1 8 ASN HB3 1 12 GLY H 5.040 . 5.040 2.333 2.183 2.496 . 0 0 "[ . 1 . 2]" 1
129 1 8 ASN HB3 1 12 GLY HA2 4.570 . 4.570 3.210 2.915 3.626 . 0 0 "[ . 1 . 2]" 1
130 1 8 ASN HB3 1 12 GLY HA3 5.010 . 5.010 3.340 3.160 3.708 . 0 0 "[ . 1 . 2]" 1
131 1 8 ASN HD21 1 11 ARG HB2 4.160 . 4.160 4.277 4.235 4.312 0.152 13 0 "[ . 1 . 2]" 1
132 1 8 ASN HD21 1 11 ARG HB3 4.800 . 4.800 4.778 4.548 4.850 0.050 11 0 "[ . 1 . 2]" 1
133 1 8 ASN HD21 1 12 GLY HA2 5.130 . 5.130 4.036 3.593 4.590 . 0 0 "[ . 1 . 2]" 1
134 1 8 ASN HD21 1 12 GLY HA3 5.470 . 5.470 4.677 4.196 5.135 . 0 0 "[ . 1 . 2]" 1
135 1 8 ASN HD22 1 11 ARG HB2 4.280 . 4.280 4.338 4.302 4.379 0.099 12 0 "[ . 1 . 2]" 1
136 1 8 ASN HD22 1 11 ARG HB3 4.730 . 4.730 4.561 4.365 4.682 . 0 0 "[ . 1 . 2]" 1
137 1 9 GLY H 1 9 GLY HA3 3.030 . 3.030 2.830 2.777 2.874 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLY H 1 10 LYS H 4.440 . 4.440 4.438 4.386 4.495 0.055 20 0 "[ . 1 . 2]" 1
139 1 9 GLY HA2 1 10 LYS H 3.610 . 3.610 3.358 3.289 3.393 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLY HA2 1 11 ARG H 4.490 . 4.490 4.520 4.415 4.578 0.088 12 0 "[ . 1 . 2]" 1
141 1 9 GLY HA3 1 10 LYS H 3.730 . 3.730 2.179 2.154 2.200 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLY HA3 1 11 ARG H 3.680 . 3.680 3.758 3.690 3.825 0.145 8 0 "[ . 1 . 2]" 1
143 1 10 LYS H 1 10 LYS QB 3.820 . 3.820 2.207 1.961 2.496 . 0 0 "[ . 1 . 2]" 1
144 1 10 LYS H 1 10 LYS QD 5.210 . 5.210 3.243 2.127 4.227 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS H 1 10 LYS QE 5.500 . 5.500 4.652 3.603 5.342 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS H 1 10 LYS QG 4.250 . 4.250 2.719 1.828 3.819 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS H 1 11 ARG H 3.870 . 3.870 2.659 2.565 2.727 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS HA 1 10 LYS QD 3.780 . 3.780 2.933 1.730 3.838 0.058 3 0 "[ . 1 . 2]" 1
149 1 10 LYS HA 1 10 LYS QG 3.440 . 3.440 2.414 1.950 3.408 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS HA 1 11 ARG H 3.320 . 3.320 3.488 3.472 3.502 0.182 2 0 "[ . 1 . 2]" 1
151 1 10 LYS HA 1 13 CYS H 4.460 . 4.460 3.744 3.362 4.270 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS QB 1 11 ARG H 3.820 . 3.820 2.875 2.743 3.620 . 0 0 "[ . 1 . 2]" 1
153 1 10 LYS QG 1 11 ARG H 4.510 . 4.510 4.230 2.148 4.613 0.103 5 0 "[ . 1 . 2]" 1
154 1 11 ARG H 1 11 ARG HB2 3.230 . 3.230 2.472 2.375 2.531 . 0 0 "[ . 1 . 2]" 1
155 1 11 ARG H 1 11 ARG HB3 3.720 . 3.720 3.612 3.588 3.634 . 0 0 "[ . 1 . 2]" 1
156 1 11 ARG H 1 11 ARG QD 4.090 . 4.090 3.653 3.062 4.073 . 0 0 "[ . 1 . 2]" 1
157 1 11 ARG H 1 11 ARG HG2 3.640 . 3.640 3.625 3.065 3.777 0.137 7 0 "[ . 1 . 2]" 1
158 1 11 ARG H 1 11 ARG HG3 3.790 . 3.790 2.226 2.046 2.378 . 0 0 "[ . 1 . 2]" 1
159 1 11 ARG H 1 12 GLY H 3.600 . 3.600 2.355 2.266 2.447 . 0 0 "[ . 1 . 2]" 1
160 1 11 ARG HA 1 11 ARG HB2 3.100 . 3.100 3.042 3.036 3.049 . 0 0 "[ . 1 . 2]" 1
161 1 11 ARG HA 1 11 ARG HB3 2.930 . 2.930 2.462 2.437 2.511 . 0 0 "[ . 1 . 2]" 1
162 1 11 ARG HA 1 11 ARG QD 4.170 . 4.170 4.164 4.043 4.229 0.059 10 0 "[ . 1 . 2]" 1
163 1 11 ARG HA 1 11 ARG HG2 3.510 . 3.510 2.718 2.474 2.880 . 0 0 "[ . 1 . 2]" 1
164 1 11 ARG HA 1 11 ARG HG3 3.400 . 3.400 2.884 2.705 3.391 . 0 0 "[ . 1 . 2]" 1
165 1 11 ARG HA 1 12 GLY H 3.310 . 3.310 3.414 3.366 3.446 0.136 2 0 "[ . 1 . 2]" 1
166 1 11 ARG HB2 1 11 ARG QD 3.500 . 3.500 2.355 2.036 2.724 . 0 0 "[ . 1 . 2]" 1
167 1 11 ARG HB2 1 11 ARG HE 5.350 . 5.350 3.370 2.237 4.513 . 0 0 "[ . 1 . 2]" 1
168 1 11 ARG HB2 1 12 GLY H 4.230 . 4.230 3.114 3.006 3.281 . 0 0 "[ . 1 . 2]" 1
169 1 11 ARG HB3 1 11 ARG QD 3.300 . 3.300 2.691 2.390 3.301 0.001 7 0 "[ . 1 . 2]" 1
170 1 11 ARG HB3 1 11 ARG HE 4.470 . 4.470 3.691 2.270 4.256 . 0 0 "[ . 1 . 2]" 1
171 1 11 ARG HB3 1 12 GLY H 4.020 . 4.020 4.082 3.988 4.170 0.150 16 0 "[ . 1 . 2]" 1
172 1 11 ARG QD 1 12 GLY H 5.500 . 5.500 5.045 4.523 5.401 . 0 0 "[ . 1 . 2]" 1
173 1 11 ARG HG2 1 12 GLY H 4.910 . 4.910 5.178 4.828 5.249 0.339 6 0 "[ . 1 . 2]" 1
174 1 11 ARG HG3 1 12 GLY H 5.180 . 5.180 4.284 4.191 4.444 . 0 0 "[ . 1 . 2]" 1
175 1 12 GLY H 1 13 CYS H 3.610 . 3.610 2.508 2.182 2.888 . 0 0 "[ . 1 . 2]" 1
176 1 12 GLY HA2 1 13 CYS H 3.670 . 3.670 3.521 3.022 3.607 . 0 0 "[ . 1 . 2]" 1
177 1 12 GLY HA3 1 13 CYS H 3.640 . 3.640 2.937 2.609 3.512 . 0 0 "[ . 1 . 2]" 1
178 1 13 CYS H 1 13 CYS HB2 3.730 . 3.730 2.104 1.982 2.407 . 0 0 "[ . 1 . 2]" 1
179 1 13 CYS H 1 13 CYS HB3 3.500 . 3.500 3.161 2.585 3.492 . 0 0 "[ . 1 . 2]" 1
180 1 13 CYS H 1 14 GLY H 5.000 . 5.000 4.301 3.197 4.660 . 0 0 "[ . 1 . 2]" 1
181 1 13 CYS H 1 24 CYS HB2 5.500 . 5.500 4.738 3.681 5.541 0.041 2 0 "[ . 1 . 2]" 1
182 1 13 CYS H 1 24 CYS HB3 5.250 . 5.250 5.051 4.219 5.374 0.124 18 0 "[ . 1 . 2]" 1
183 1 13 CYS HA 1 14 GLY H 3.300 . 3.300 2.301 2.150 2.799 . 0 0 "[ . 1 . 2]" 1
184 1 13 CYS HA 1 17 CYS HB2 4.510 . 4.510 3.971 3.381 4.592 0.082 20 0 "[ . 1 . 2]" 1
185 1 13 CYS HA 1 18 ARG H 5.050 . 5.050 4.700 4.356 5.011 . 0 0 "[ . 1 . 2]" 1
186 1 13 CYS HB2 1 14 GLY H 4.550 . 4.550 4.556 4.345 4.654 0.104 8 0 "[ . 1 . 2]" 1
187 1 13 CYS HB2 1 24 CYS HA 5.320 . 5.320 5.372 5.160 5.464 0.144 13 0 "[ . 1 . 2]" 1
188 1 13 CYS HB3 1 14 GLY H 4.530 . 4.530 3.971 3.479 4.372 . 0 0 "[ . 1 . 2]" 1
189 1 14 GLY H 1 17 CYS HB2 4.580 . 4.580 3.625 3.071 3.934 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLY H 1 17 CYS HB3 3.910 . 3.910 2.172 1.877 2.432 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLY HA2 1 15 ARG H 3.560 . 3.560 2.523 2.423 2.629 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLY HA3 1 15 ARG H 3.370 . 3.370 2.711 2.594 2.818 . 0 0 "[ . 1 . 2]" 1
193 1 15 ARG H 1 15 ARG QB 3.000 . 3.000 2.426 1.962 2.665 . 0 0 "[ . 1 . 2]" 1
194 1 15 ARG H 1 15 ARG QD 4.720 . 4.720 3.883 2.163 4.502 . 0 0 "[ . 1 . 2]" 1
195 1 15 ARG H 1 15 ARG HG2 4.480 . 4.480 2.647 1.875 4.570 0.090 4 0 "[ . 1 . 2]" 1
196 1 15 ARG H 1 15 ARG HG3 4.430 . 4.430 3.034 1.724 4.355 . 0 0 "[ . 1 . 2]" 1
197 1 15 ARG H 1 16 TRP H 4.930 . 4.930 2.945 2.825 3.066 . 0 0 "[ . 1 . 2]" 1
198 1 15 ARG H 1 18 ARG H 4.860 . 4.860 4.685 4.550 4.855 . 0 0 "[ . 1 . 2]" 1
199 1 15 ARG HA 1 15 ARG HG2 4.010 . 4.010 3.473 2.387 4.050 0.040 18 0 "[ . 1 . 2]" 1
200 1 15 ARG HA 1 15 ARG HG3 4.130 . 4.130 3.515 2.432 4.191 0.061 12 0 "[ . 1 . 2]" 1
201 1 15 ARG HA 1 16 TRP H 4.940 . 4.940 3.589 3.559 3.614 . 0 0 "[ . 1 . 2]" 1
202 1 15 ARG HA 1 18 ARG H 3.920 . 3.920 3.573 3.247 3.848 . 0 0 "[ . 1 . 2]" 1
203 1 15 ARG HA 1 18 ARG HB2 3.710 . 3.710 2.343 1.900 2.809 . 0 0 "[ . 1 . 2]" 1
204 1 15 ARG HA 1 18 ARG HB3 3.020 . 3.020 3.027 2.807 3.126 0.106 20 0 "[ . 1 . 2]" 1
205 1 15 ARG HA 1 18 ARG QD 3.350 . 3.350 2.929 1.973 3.442 0.092 10 0 "[ . 1 . 2]" 1
206 1 15 ARG HA 1 18 ARG HE 4.920 . 4.920 3.747 2.330 4.993 0.073 16 0 "[ . 1 . 2]" 1
207 1 15 ARG HA 1 18 ARG QG 4.470 . 4.470 4.064 3.356 4.375 . 0 0 "[ . 1 . 2]" 1
208 1 15 ARG QB 1 16 TRP H 3.860 . 3.860 2.932 2.188 3.474 . 0 0 "[ . 1 . 2]" 1
209 1 15 ARG HG3 1 16 TRP QB 5.500 . 5.500 4.043 2.925 5.585 0.085 16 0 "[ . 1 . 2]" 1
210 1 16 TRP H 1 16 TRP QB 3.740 . 3.740 2.186 2.152 2.223 . 0 0 "[ . 1 . 2]" 1
211 1 16 TRP H 1 17 CYS H 5.500 . 5.500 2.867 2.671 2.999 . 0 0 "[ . 1 . 2]" 1
212 1 16 TRP HA 1 16 TRP HD1 3.090 . 3.090 2.917 2.808 3.014 . 0 0 "[ . 1 . 2]" 1
213 1 16 TRP HA 1 16 TRP HE1 4.670 . 4.670 4.757 4.686 4.830 0.160 19 0 "[ . 1 . 2]" 1
214 1 16 TRP HA 1 17 CYS H 5.500 . 5.500 3.585 3.561 3.603 . 0 0 "[ . 1 . 2]" 1
215 1 16 TRP HA 1 19 ASP H 5.330 . 5.330 3.634 3.472 3.789 . 0 0 "[ . 1 . 2]" 1
216 1 16 TRP HA 1 19 ASP HB2 3.970 . 3.970 4.051 3.448 4.307 0.337 3 0 "[ . 1 . 2]" 1
217 1 16 TRP HA 1 19 ASP HB3 4.260 . 4.260 3.388 2.891 3.950 . 0 0 "[ . 1 . 2]" 1
218 1 16 TRP HA 1 20 HIS HD2 4.650 . 4.650 2.769 2.230 3.502 . 0 0 "[ . 1 . 2]" 1
219 1 16 TRP QB 1 16 TRP HD1 2.600 . 2.600 2.626 2.606 2.658 0.058 17 0 "[ . 1 . 2]" 1
220 1 16 TRP QB 1 16 TRP HE1 4.380 . 4.380 4.425 4.416 4.440 0.060 13 0 "[ . 1 . 2]" 1
221 1 16 TRP QB 1 16 TRP HE3 2.990 . 2.990 2.554 2.520 2.581 . 0 0 "[ . 1 . 2]" 1
222 1 16 TRP QB 1 17 CYS H 5.500 . 5.500 2.175 2.119 2.264 . 0 0 "[ . 1 . 2]" 1
223 1 16 TRP QB 1 18 ARG H 4.540 . 4.540 4.572 4.501 4.639 0.099 17 0 "[ . 1 . 2]" 1
224 1 16 TRP QB 1 20 HIS HD2 5.500 . 5.500 4.374 3.964 5.033 . 0 0 "[ . 1 . 2]" 1
225 1 16 TRP HE1 1 20 HIS HB3 5.210 . 5.210 4.742 4.417 5.110 . 0 0 "[ . 1 . 2]" 1
226 1 16 TRP HE1 1 20 HIS HD2 4.420 . 4.420 3.832 3.158 4.454 0.034 16 0 "[ . 1 . 2]" 1
227 1 16 TRP HE1 1 20 HIS HE1 4.610 . 4.610 4.538 4.170 4.661 0.051 17 0 "[ . 1 . 2]" 1
228 1 16 TRP HE3 1 17 CYS HA 3.010 . 3.010 2.784 2.551 2.933 . 0 0 "[ . 1 . 2]" 1
229 1 16 TRP HE3 1 17 CYS HB2 4.330 . 4.330 3.077 2.884 3.287 . 0 0 "[ . 1 . 2]" 1
230 1 16 TRP HE3 1 17 CYS HB3 4.210 . 4.210 3.961 3.438 4.316 0.106 6 0 "[ . 1 . 2]" 1
231 1 16 TRP HE3 1 20 HIS HB2 5.330 . 5.330 3.830 3.683 4.097 . 0 0 "[ . 1 . 2]" 1
232 1 16 TRP HE3 1 20 HIS HB3 4.900 . 4.900 4.886 4.646 4.965 0.065 10 0 "[ . 1 . 2]" 1
233 1 16 TRP HE3 1 21 SER HB2 4.940 . 4.940 4.402 3.955 4.762 . 0 0 "[ . 1 . 2]" 1
234 1 16 TRP HE3 1 21 SER HB3 5.500 . 5.500 5.399 5.038 5.618 0.118 9 0 "[ . 1 . 2]" 1
235 1 16 TRP HH2 1 20 HIS HB2 4.640 . 4.640 4.581 4.395 4.707 0.067 9 0 "[ . 1 . 2]" 1
236 1 16 TRP HH2 1 20 HIS HB3 3.910 . 3.910 3.946 3.835 4.011 0.101 15 0 "[ . 1 . 2]" 1
237 1 16 TRP HZ2 1 20 HIS HB2 5.500 . 5.500 4.321 4.164 4.496 . 0 0 "[ . 1 . 2]" 1
238 1 16 TRP HZ2 1 20 HIS HB3 4.540 . 4.540 3.782 3.542 4.036 . 0 0 "[ . 1 . 2]" 1
239 1 16 TRP HZ3 1 17 CYS HA 3.790 . 3.790 3.738 3.417 3.843 0.053 15 0 "[ . 1 . 2]" 1
240 1 16 TRP HZ3 1 20 HIS HB2 4.850 . 4.850 4.351 4.142 4.658 . 0 0 "[ . 1 . 2]" 1
241 1 16 TRP HZ3 1 20 HIS HB3 4.560 . 4.560 4.502 4.191 4.612 0.052 9 0 "[ . 1 . 2]" 1
242 1 17 CYS H 1 18 ARG H 5.500 . 5.500 2.762 2.674 2.867 . 0 0 "[ . 1 . 2]" 1
243 1 17 CYS HA 1 18 ARG H 3.790 . 3.790 3.567 3.554 3.583 . 0 0 "[ . 1 . 2]" 1
244 1 17 CYS HA 1 20 HIS HB2 5.500 . 5.500 3.316 2.920 3.500 . 0 0 "[ . 1 . 2]" 1
245 1 17 CYS HA 1 20 HIS HB3 4.850 . 4.850 4.464 4.151 4.738 . 0 0 "[ . 1 . 2]" 1
246 1 17 CYS HA 1 21 SER H 4.070 . 4.070 2.282 1.894 2.904 . 0 0 "[ . 1 . 2]" 1
247 1 17 CYS HA 1 21 SER HB2 4.150 . 4.150 1.939 1.706 2.123 . 0 0 "[ . 1 . 2]" 1
248 1 17 CYS HA 1 21 SER HB3 4.350 . 4.350 3.286 2.405 3.543 . 0 0 "[ . 1 . 2]" 1
249 1 17 CYS HB2 1 18 ARG H 3.940 . 3.940 3.864 3.788 3.918 . 0 0 "[ . 1 . 2]" 1
250 1 17 CYS HB2 1 21 SER HB2 4.310 . 4.310 3.082 2.681 3.372 . 0 0 "[ . 1 . 2]" 1
251 1 17 CYS HB2 1 21 SER HB3 4.880 . 4.880 3.840 3.419 4.203 . 0 0 "[ . 1 . 2]" 1
252 1 17 CYS HB3 1 18 ARG H 3.810 . 3.810 2.507 2.356 2.680 . 0 0 "[ . 1 . 2]" 1
253 1 18 ARG H 1 18 ARG HB2 3.220 . 3.220 1.996 1.946 2.079 . 0 0 "[ . 1 . 2]" 1
254 1 18 ARG H 1 18 ARG HB3 3.460 . 3.460 3.230 2.901 3.441 . 0 0 "[ . 1 . 2]" 1
255 1 18 ARG H 1 18 ARG QD 4.700 . 4.700 4.009 3.244 4.594 . 0 0 "[ . 1 . 2]" 1
256 1 18 ARG H 1 18 ARG HE 5.500 . 5.500 4.773 3.669 5.417 . 0 0 "[ . 1 . 2]" 1
257 1 18 ARG H 1 18 ARG QG 3.820 . 3.820 3.284 2.620 3.847 0.027 12 0 "[ . 1 . 2]" 1
258 1 18 ARG H 1 19 ASP H 3.720 . 3.720 2.898 2.820 2.952 . 0 0 "[ . 1 . 2]" 1
259 1 18 ARG H 1 24 CYS HB2 5.500 . 5.500 5.533 5.085 5.616 0.116 19 0 "[ . 1 . 2]" 1
260 1 18 ARG H 1 24 CYS HB3 4.670 . 4.670 4.617 4.376 4.809 0.139 3 0 "[ . 1 . 2]" 1
261 1 18 ARG HA 1 18 ARG HB2 3.140 . 3.140 2.840 2.650 2.967 . 0 0 "[ . 1 . 2]" 1
262 1 18 ARG HA 1 18 ARG QD 3.830 . 3.830 3.891 3.545 3.983 0.153 1 0 "[ . 1 . 2]" 1
263 1 18 ARG HA 1 18 ARG HE 5.420 . 5.420 4.356 2.811 5.083 . 0 0 "[ . 1 . 2]" 1
264 1 18 ARG HA 1 18 ARG QG 3.300 . 3.300 2.090 1.937 2.205 . 0 0 "[ . 1 . 2]" 1
265 1 18 ARG HA 1 19 ASP H 4.880 . 4.880 3.566 3.542 3.581 . 0 0 "[ . 1 . 2]" 1
266 1 18 ARG HA 1 20 HIS H 5.150 . 5.150 5.121 4.925 5.208 0.058 20 0 "[ . 1 . 2]" 1
267 1 18 ARG HB2 1 18 ARG QD 3.320 . 3.320 2.440 1.965 2.972 . 0 0 "[ . 1 . 2]" 1
268 1 18 ARG HB2 1 18 ARG HE 4.120 . 4.120 3.150 2.602 3.681 . 0 0 "[ . 1 . 2]" 1
269 1 18 ARG HB2 1 19 ASP H 4.770 . 4.770 3.207 2.824 3.556 . 0 0 "[ . 1 . 2]" 1
270 1 18 ARG HB2 1 19 ASP HA 5.500 . 5.500 5.314 4.980 5.563 0.063 12 0 "[ . 1 . 2]" 1
271 1 18 ARG HB3 1 18 ARG HE 4.240 . 4.240 2.978 2.034 4.283 0.043 15 0 "[ . 1 . 2]" 1
272 1 18 ARG HB3 1 19 ASP H 4.650 . 4.650 2.942 2.595 3.231 . 0 0 "[ . 1 . 2]" 1
273 1 18 ARG HB3 1 19 ASP HA 4.620 . 4.620 4.106 4.025 4.215 . 0 0 "[ . 1 . 2]" 1
274 1 18 ARG QG 1 19 ASP H 5.500 . 5.500 4.366 4.063 4.459 . 0 0 "[ . 1 . 2]" 1
275 1 19 ASP H 1 19 ASP HB2 4.070 . 4.070 2.442 2.120 2.642 . 0 0 "[ . 1 . 2]" 1
276 1 19 ASP H 1 20 HIS H 4.150 . 4.150 2.392 2.345 2.448 . 0 0 "[ . 1 . 2]" 1
277 1 19 ASP H 1 21 SER H 4.970 . 4.970 3.860 3.561 4.370 . 0 0 "[ . 1 . 2]" 1
278 1 19 ASP HA 1 20 HIS H 4.080 . 4.080 3.582 3.567 3.589 . 0 0 "[ . 1 . 2]" 1
279 1 19 ASP HB2 1 20 HIS H 4.710 . 4.710 3.607 3.145 3.920 . 0 0 "[ . 1 . 2]" 1
280 1 19 ASP HB2 1 20 HIS HD2 4.590 . 4.590 4.140 3.166 4.745 0.155 2 0 "[ . 1 . 2]" 1
281 1 19 ASP HB3 1 20 HIS H 5.230 . 5.230 2.500 2.321 2.851 . 0 0 "[ . 1 . 2]" 1
282 1 19 ASP HB3 1 20 HIS HD2 5.160 . 5.160 2.614 2.110 3.036 . 0 0 "[ . 1 . 2]" 1
283 1 20 HIS H 1 20 HIS HD2 5.500 . 5.500 2.923 2.527 3.455 . 0 0 "[ . 1 . 2]" 1
284 1 20 HIS H 1 21 SER H 3.410 . 3.410 2.463 2.320 2.779 . 0 0 "[ . 1 . 2]" 1
285 1 20 HIS HA 1 20 HIS HD2 4.900 . 4.900 4.025 3.703 4.272 . 0 0 "[ . 1 . 2]" 1
286 1 20 HIS HA 1 21 SER H 3.890 . 3.890 3.541 3.457 3.587 . 0 0 "[ . 1 . 2]" 1
287 1 20 HIS HB2 1 21 SER H 5.500 . 5.500 2.716 2.149 3.396 . 0 0 "[ . 1 . 2]" 1
288 1 20 HIS HB3 1 21 SER H 4.900 . 4.900 3.430 2.710 3.915 . 0 0 "[ . 1 . 2]" 1
289 1 21 SER H 1 21 SER HB2 3.250 . 3.250 2.337 2.220 2.726 . 0 0 "[ . 1 . 2]" 1
290 1 21 SER H 1 21 SER HB3 3.690 . 3.690 3.390 2.434 3.633 . 0 0 "[ . 1 . 2]" 1
291 1 21 SER HA 1 22 ARG H 4.870 . 4.870 2.360 2.211 2.496 . 0 0 "[ . 1 . 2]" 1
292 1 21 SER HA 1 23 CYS H 5.070 . 5.070 4.192 3.767 4.608 . 0 0 "[ . 1 . 2]" 1
293 1 21 SER HB2 1 22 ARG H 5.500 . 5.500 3.873 3.578 4.355 . 0 0 "[ . 1 . 2]" 1
294 1 21 SER HB2 1 23 CYS H 4.550 . 4.550 4.280 3.143 4.630 0.080 3 0 "[ . 1 . 2]" 1
295 1 21 SER HB3 1 22 ARG H 5.500 . 5.500 2.815 2.407 3.511 . 0 0 "[ . 1 . 2]" 1
296 1 21 SER HB3 1 23 CYS H 4.810 . 4.810 3.026 2.518 4.018 . 0 0 "[ . 1 . 2]" 1
297 1 22 ARG HA 1 22 ARG QG 3.620 . 3.620 2.563 2.117 2.963 . 0 0 "[ . 1 . 2]" 1
298 1 22 ARG HA 1 23 CYS H 4.430 . 4.430 3.517 3.086 3.612 . 0 0 "[ . 1 . 2]" 1
299 1 22 ARG HB2 1 22 ARG HE 5.500 . 5.500 4.170 3.016 5.088 . 0 0 "[ . 1 . 2]" 1
300 1 22 ARG HB2 1 23 CYS H 5.310 . 5.310 2.818 2.327 3.925 . 0 0 "[ . 1 . 2]" 1
301 1 22 ARG HB2 1 23 CYS HA 5.500 . 5.500 4.547 4.269 5.177 . 0 0 "[ . 1 . 2]" 1
302 1 22 ARG HB3 1 22 ARG HE 5.500 . 5.500 3.468 1.985 4.847 . 0 0 "[ . 1 . 2]" 1
303 1 22 ARG HB3 1 23 CYS H 4.270 . 4.270 3.718 2.992 4.526 0.256 7 0 "[ . 1 . 2]" 1
304 1 22 ARG HB3 1 23 CYS HA 5.500 . 5.500 4.543 3.993 5.022 . 0 0 "[ . 1 . 2]" 1
305 1 22 ARG QG 1 23 CYS H 4.280 . 4.280 4.115 3.809 4.394 0.114 3 0 "[ . 1 . 2]" 1
306 1 23 CYS H 1 23 CYS HB3 4.210 . 4.210 3.211 2.651 3.798 . 0 0 "[ . 1 . 2]" 1
307 1 23 CYS H 1 24 CYS H 4.670 . 4.670 4.634 4.493 4.694 0.024 6 0 "[ . 1 . 2]" 1
308 1 23 CYS HA 1 24 CYS H 4.630 . 4.630 2.489 2.277 2.658 . 0 0 "[ . 1 . 2]" 1
309 1 23 CYS HB2 1 24 CYS H 5.500 . 5.500 2.939 2.126 3.946 . 0 0 "[ . 1 . 2]" 1
310 1 23 CYS HB3 1 24 CYS H 5.500 . 5.500 3.256 2.381 4.152 . 0 0 "[ . 1 . 2]" 1
311 1 24 CYS H 1 24 CYS HB2 3.930 . 3.930 3.170 2.959 3.260 . 0 0 "[ . 1 . 2]" 1
312 1 24 CYS H 1 24 CYS HB3 4.230 . 4.230 3.988 3.643 4.117 . 0 0 "[ . 1 . 2]" 1
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