NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399580 |
1u86   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u86
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 559
_Distance_constraint_stats_list.Viol_count 1203
_Distance_constraint_stats_list.Viol_total 1668.882
_Distance_constraint_stats_list.Viol_max 0.620
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0694
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.064 0.064 17 0 "[ . 1 . 2]"
1 4 GLY 1.230 0.129 1 0 "[ . 1 . 2]"
1 5 ILE 2.718 0.517 20 1 "[ . 1 . +]"
1 6 LYS 5.557 0.208 7 0 "[ . 1 . 2]"
1 7 PRO 2.264 0.135 17 0 "[ . 1 . 2]"
1 8 PHE 7.358 0.130 4 0 "[ . 1 . 2]"
1 9 GLN 1.161 0.229 20 0 "[ . 1 . 2]"
1 10 CYS 3.365 0.172 14 0 "[ . 1 . 2]"
1 11 THR 0.347 0.096 17 0 "[ . 1 . 2]"
1 12 TRP 7.715 0.200 15 0 "[ . 1 . 2]"
1 13 PRO 0.009 0.009 2 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.511 0.064 10 0 "[ . 1 . 2]"
1 16 ASP 5.790 0.199 12 0 "[ . 1 . 2]"
1 17 ARG 8.245 0.246 9 0 "[ . 1 . 2]"
1 18 SER 2.048 0.280 8 0 "[ . 1 . 2]"
1 19 PHE 17.625 0.312 13 0 "[ . 1 . 2]"
1 20 SER 0.756 0.126 9 0 "[ . 1 . 2]"
1 21 ARG 7.073 0.298 3 0 "[ . 1 . 2]"
1 22 SER 1.260 0.298 3 0 "[ . 1 . 2]"
1 23 ASP 8.885 0.324 2 0 "[ . 1 . 2]"
1 24 HIS 3.939 0.312 13 0 "[ . 1 . 2]"
1 25 LEU 8.359 0.151 4 0 "[ . 1 . 2]"
1 26 ALA 3.092 0.130 18 0 "[ . 1 . 2]"
1 27 LEU 5.031 0.299 1 0 "[ . 1 . 2]"
1 28 HIS 6.351 0.299 1 0 "[ . 1 . 2]"
1 29 ARG 8.888 0.200 15 0 "[ . 1 . 2]"
1 30 LYS 4.012 0.620 7 1 "[ . + 1 . 2]"
1 31 ARG 3.234 0.350 13 0 "[ . 1 . 2]"
1 32 HIS 4.331 0.195 16 0 "[ . 1 . 2]"
1 33 MET 2.966 0.174 1 0 "[ . 1 . 2]"
1 34 LEU 3.917 0.317 4 0 "[ . 1 . 2]"
1 35 VAL 4.021 0.336 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR H 1 3 THR HB 2.500 . 3.300 3.032 2.750 3.272 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR H 1 3 THR MG 3.300 . 4.700 3.659 3.305 3.910 . 0 0 "[ . 1 . 2]" 1
3 1 3 THR HA 1 3 THR MG 3.300 . 4.700 2.093 1.933 2.302 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 4 GLY H 2.200 . 2.800 2.373 2.111 2.864 0.064 17 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 4 GLY QA 3.100 . 4.300 4.012 3.891 4.222 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLY H 1 4 GLY QA 2.600 . 3.400 2.306 2.240 2.423 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLY H 1 5 ILE H 2.800 . 3.700 2.156 1.804 2.597 0.096 3 0 "[ . 1 . 2]" 1
8 1 4 GLY H 1 5 ILE HB 3.000 . 4.200 4.245 4.126 4.329 0.129 1 0 "[ . 1 . 2]" 1
9 1 4 GLY QA 1 5 ILE H 2.300 . 2.900 2.779 2.575 2.908 0.008 19 0 "[ . 1 . 2]" 1
10 1 5 ILE H 1 5 ILE HA 2.800 . 3.800 2.898 2.848 2.942 . 0 0 "[ . 1 . 2]" 1
11 1 5 ILE H 1 5 ILE HB 2.300 . 2.900 2.421 2.147 2.591 . 0 0 "[ . 1 . 2]" 1
12 1 5 ILE H 1 5 ILE MD 3.300 . 4.700 2.927 2.347 3.828 . 0 0 "[ . 1 . 2]" 1
13 1 5 ILE H 1 5 ILE HG12 3.200 . 4.500 3.699 2.309 4.301 . 0 0 "[ . 1 . 2]" 1
14 1 5 ILE H 1 5 ILE HG13 2.900 . 3.900 3.220 2.388 4.417 0.517 20 1 "[ . 1 . +]" 1
15 1 5 ILE H 1 5 ILE MG 3.100 . 4.300 3.738 3.460 3.805 . 0 0 "[ . 1 . 2]" 1
16 1 5 ILE H 1 6 LYS H 2.900 . 6.000 4.284 3.670 4.553 . 0 0 "[ . 1 . 2]" 1
17 1 5 ILE HA 1 5 ILE HB 2.400 . 3.100 3.015 2.942 3.026 . 0 0 "[ . 1 . 2]" 1
18 1 5 ILE HA 1 5 ILE MD 3.100 . 4.300 3.162 1.882 3.868 0.018 6 0 "[ . 1 . 2]" 1
19 1 5 ILE HA 1 5 ILE HG12 3.000 . 4.100 3.104 2.438 3.538 . 0 0 "[ . 1 . 2]" 1
20 1 5 ILE HA 1 5 ILE HG13 3.200 . 4.400 2.755 2.173 3.724 . 0 0 "[ . 1 . 2]" 1
21 1 5 ILE HA 1 5 ILE MG 2.200 . 2.800 2.505 2.299 2.802 0.002 20 0 "[ . 1 . 2]" 1
22 1 5 ILE HA 1 6 LYS H 2.000 . 2.500 2.168 2.108 2.405 . 0 0 "[ . 1 . 2]" 1
23 1 5 ILE HA 1 6 LYS HA 6.000 . 6.300 4.388 4.336 4.464 . 0 0 "[ . 1 . 2]" 1
24 1 5 ILE HB 1 5 ILE MD 2.800 . 3.800 2.476 1.992 3.234 . 0 0 "[ . 1 . 2]" 1
25 1 5 ILE HB 1 6 LYS H 2.800 . 6.000 4.353 4.088 4.504 . 0 0 "[ . 1 . 2]" 1
26 1 5 ILE MD 1 5 ILE HG12 2.300 . 3.000 2.102 2.071 2.118 . 0 0 "[ . 1 . 2]" 1
27 1 5 ILE MD 1 5 ILE HG13 2.000 . 2.500 2.104 2.072 2.119 . 0 0 "[ . 1 . 2]" 1
28 1 5 ILE MD 1 6 LYS H 3.600 . 5.200 4.726 3.414 5.260 0.060 3 0 "[ . 1 . 2]" 1
29 1 5 ILE HG13 1 6 LYS H 3.800 . 5.600 4.751 3.645 5.808 0.208 7 0 "[ . 1 . 2]" 1
30 1 5 ILE MG 1 6 LYS H 2.800 . 3.800 2.956 2.313 3.774 . 0 0 "[ . 1 . 2]" 1
31 1 6 LYS H 1 6 LYS HA 2.600 . 3.500 2.918 2.841 2.955 . 0 0 "[ . 1 . 2]" 1
32 1 6 LYS H 1 6 LYS HB2 2.700 . 3.600 2.617 2.424 2.738 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 6 LYS HB3 3.500 . 5.100 3.679 3.583 3.801 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS H 1 6 LYS QD 3.100 . 4.300 4.098 2.903 4.389 0.089 19 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 6 LYS QE 3.800 . 5.600 4.608 3.250 5.578 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS H 1 6 LYS HG2 3.900 . 5.800 2.761 1.959 4.613 0.041 2 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 18 SER HB2 3.100 . 4.300 3.251 2.672 3.850 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 18 SER HB3 3.000 . 4.100 3.144 2.438 3.997 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HA 1 6 LYS HB2 2.900 . 3.900 3.021 3.000 3.028 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS HA 1 6 LYS HB3 2.700 . 3.600 2.432 2.357 2.603 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 6 LYS QD 3.400 . 4.800 2.880 2.000 3.860 0.000 9 0 "[ . 1 . 2]" 1
42 1 6 LYS HA 1 6 LYS QE 3.900 . 5.800 3.919 2.562 4.841 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS HA 1 6 LYS HG2 2.800 . 3.800 2.815 2.467 3.440 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS HA 1 7 PRO HD2 2.200 . 2.800 2.591 2.407 2.844 0.044 20 0 "[ . 1 . 2]" 1
45 1 6 LYS HA 1 7 PRO HD3 2.300 . 3.000 2.095 1.734 2.292 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS HA 1 7 PRO HG2 3.800 . 5.600 4.539 4.375 4.719 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS HA 1 8 PHE H 2.900 . 4.000 3.950 3.766 4.038 0.038 19 0 "[ . 1 . 2]" 1
48 1 6 LYS HA 1 8 PHE QD 3.400 . 6.000 5.986 5.497 6.115 0.115 14 0 "[ . 1 . 2]" 1
49 1 6 LYS HA 1 20 SER HA 3.700 . 5.500 5.412 4.758 5.626 0.126 9 0 "[ . 1 . 2]" 1
50 1 6 LYS HB2 1 6 LYS QE 3.300 . 4.700 4.040 3.377 4.370 . 0 0 "[ . 1 . 2]" 1
51 1 6 LYS HB2 1 7 PRO HD2 2.800 . 3.800 3.766 3.555 3.935 0.135 17 0 "[ . 1 . 2]" 1
52 1 6 LYS HB2 1 7 PRO HD3 2.600 . 6.000 4.520 4.203 4.752 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS HB2 1 8 PHE H 3.100 . 4.300 3.526 3.083 3.919 . 0 0 "[ . 1 . 2]" 1
54 1 6 LYS HB2 1 10 CYS H 3.600 . 5.200 5.295 5.204 5.372 0.172 14 0 "[ . 1 . 2]" 1
55 1 6 LYS HB2 1 18 SER H 2.900 . 6.000 5.239 5.023 5.470 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS HB2 1 19 PHE H 2.800 . 3.800 2.992 2.624 3.287 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS HB3 1 6 LYS QE 2.800 . 3.700 3.546 2.971 3.883 0.183 8 0 "[ . 1 . 2]" 1
58 1 6 LYS HB3 1 7 PRO HD2 2.700 . 3.600 2.311 1.997 2.614 . 0 0 "[ . 1 . 2]" 1
59 1 6 LYS HB3 1 7 PRO HD3 2.700 . 3.600 3.387 3.018 3.613 0.013 8 0 "[ . 1 . 2]" 1
60 1 6 LYS HB3 1 8 PHE H 3.800 . 5.600 2.764 2.281 3.133 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS QE 1 6 LYS HG3 2.700 . 3.600 2.194 1.928 2.732 . 0 0 "[ . 1 . 2]" 1
62 1 7 PRO HA 1 7 PRO HB3 2.400 . 3.100 2.293 2.255 2.310 . 0 0 "[ . 1 . 2]" 1
63 1 7 PRO HA 1 7 PRO HD2 3.300 . 4.700 4.045 3.917 4.090 . 0 0 "[ . 1 . 2]" 1
64 1 7 PRO HA 1 7 PRO HD3 3.300 . 4.600 3.785 3.714 3.922 . 0 0 "[ . 1 . 2]" 1
65 1 7 PRO HA 1 7 PRO HG2 3.000 . 4.100 3.941 3.882 4.071 . 0 0 "[ . 1 . 2]" 1
66 1 7 PRO HA 1 7 PRO HG3 3.000 . 4.100 3.860 3.366 4.026 . 0 0 "[ . 1 . 2]" 1
67 1 7 PRO HA 1 8 PHE H 2.300 . 6.000 3.479 3.431 3.519 . 0 0 "[ . 1 . 2]" 1
68 1 7 PRO HA 1 8 PHE QD 3.300 . 4.700 4.088 3.894 4.216 . 0 0 "[ . 1 . 2]" 1
69 1 7 PRO HB2 1 8 PHE H 3.000 . 4.100 3.325 2.918 3.575 . 0 0 "[ . 1 . 2]" 1
70 1 7 PRO HB2 1 8 PHE QD 2.800 . 3.800 2.376 2.010 2.518 . 0 0 "[ . 1 . 2]" 1
71 1 7 PRO HB2 1 8 PHE QE 3.500 . 5.000 2.972 2.692 3.218 . 0 0 "[ . 1 . 2]" 1
72 1 7 PRO HB3 1 8 PHE QD 3.000 . 4.100 3.999 3.646 4.154 0.054 14 0 "[ . 1 . 2]" 1
73 1 7 PRO HD2 1 7 PRO HG2 2.500 . 3.300 2.280 2.264 2.314 . 0 0 "[ . 1 . 2]" 1
74 1 7 PRO HD2 1 7 PRO HG3 2.800 . 3.800 2.819 2.744 2.990 . 0 0 "[ . 1 . 2]" 1
75 1 7 PRO HD2 1 8 PHE H 3.400 . 4.800 2.257 2.121 2.394 . 0 0 "[ . 1 . 2]" 1
76 1 7 PRO HD2 1 8 PHE HB2 2.900 . 3.900 3.955 3.845 4.000 0.100 4 0 "[ . 1 . 2]" 1
77 1 7 PRO HD2 1 8 PHE QD 3.500 . 5.000 3.938 3.062 4.202 . 0 0 "[ . 1 . 2]" 1
78 1 7 PRO HD2 1 20 SER HA 2.900 . 3.900 3.348 2.632 3.776 . 0 0 "[ . 1 . 2]" 1
79 1 7 PRO HD3 1 7 PRO HG2 2.400 . 3.100 2.892 2.692 2.966 . 0 0 "[ . 1 . 2]" 1
80 1 7 PRO HD3 1 7 PRO HG3 2.700 . 3.600 2.283 2.274 2.303 . 0 0 "[ . 1 . 2]" 1
81 1 7 PRO HD3 1 8 PHE H 3.000 . 4.200 3.599 3.489 3.663 . 0 0 "[ . 1 . 2]" 1
82 1 7 PRO HD3 1 20 SER HA 2.500 . 6.000 4.888 4.035 5.223 . 0 0 "[ . 1 . 2]" 1
83 1 7 PRO HG2 1 8 PHE H 3.300 . 4.700 2.819 2.408 3.793 . 0 0 "[ . 1 . 2]" 1
84 1 7 PRO HG2 1 8 PHE QD 2.800 . 3.700 2.825 2.222 3.742 0.042 6 0 "[ . 1 . 2]" 1
85 1 7 PRO HG2 1 8 PHE QE 2.800 . 3.800 3.290 2.890 3.800 . 0 0 "[ . 1 . 2]" 1
86 1 7 PRO HG2 1 9 GLN H 4.500 . 6.300 5.662 5.266 6.322 0.022 20 0 "[ . 1 . 2]" 1
87 1 7 PRO HG3 1 8 PHE H 4.000 . 6.000 4.018 3.828 4.381 . 0 0 "[ . 1 . 2]" 1
88 1 7 PRO HG3 1 8 PHE QE 3.800 . 5.600 4.359 3.890 5.146 . 0 0 "[ . 1 . 2]" 1
89 1 8 PHE H 1 8 PHE HA 2.700 . 3.600 2.921 2.905 2.937 . 0 0 "[ . 1 . 2]" 1
90 1 8 PHE H 1 8 PHE HB2 2.300 . 3.000 2.499 2.441 2.607 . 0 0 "[ . 1 . 2]" 1
91 1 8 PHE H 1 8 PHE QD 2.500 . 3.300 2.567 2.292 2.876 . 0 0 "[ . 1 . 2]" 1
92 1 8 PHE H 1 8 PHE QE 3.200 . 4.500 4.545 4.504 4.610 0.110 9 0 "[ . 1 . 2]" 1
93 1 8 PHE H 1 9 GLN H 3.100 . 4.300 3.222 3.089 3.400 . 0 0 "[ . 1 . 2]" 1
94 1 8 PHE H 1 21 ARG QD 3.600 . 5.200 5.132 5.033 5.264 0.064 10 0 "[ . 1 . 2]" 1
95 1 8 PHE H 1 19 PHE H 2.900 . 3.900 3.898 3.749 3.958 0.058 17 0 "[ . 1 . 2]" 1
96 1 8 PHE H 1 25 LEU MD2 3.000 . 6.000 4.642 4.550 4.747 . 0 0 "[ . 1 . 2]" 1
97 1 8 PHE HA 1 8 PHE QB 2.300 . 2.900 2.365 2.312 2.391 . 0 0 "[ . 1 . 2]" 1
98 1 8 PHE HA 1 8 PHE QD 2.200 . 2.800 2.415 2.274 2.719 . 0 0 "[ . 1 . 2]" 1
99 1 8 PHE HA 1 8 PHE QE 3.400 . 4.900 4.550 4.498 4.649 . 0 0 "[ . 1 . 2]" 1
100 1 8 PHE HA 1 9 GLN H 2.000 . 6.000 2.638 2.547 2.730 . 0 0 "[ . 1 . 2]" 1
101 1 8 PHE HA 1 19 PHE H 3.200 . 4.500 4.563 4.499 4.630 0.130 4 0 "[ . 1 . 2]" 1
102 1 8 PHE HA 1 19 PHE QD 4.300 . 6.300 5.778 5.575 5.933 . 0 0 "[ . 1 . 2]" 1
103 1 8 PHE QB 1 8 PHE QD 2.100 . 2.600 2.287 2.228 2.306 . 0 0 "[ . 1 . 2]" 1
104 1 8 PHE QB 1 9 GLN H 2.700 . 6.000 3.880 3.865 3.896 . 0 0 "[ . 1 . 2]" 1
105 1 8 PHE QB 1 19 PHE H 3.100 . 4.300 2.898 2.686 3.067 . 0 0 "[ . 1 . 2]" 1
106 1 8 PHE QB 1 25 LEU H 3.400 . 4.900 4.704 4.500 4.886 . 0 0 "[ . 1 . 2]" 1
107 1 8 PHE HB3 1 25 LEU HB2 2.800 . 3.800 3.623 3.408 3.829 0.029 8 0 "[ . 1 . 2]" 1
108 1 8 PHE HB3 1 25 LEU HB3 2.600 . 3.400 3.132 2.943 3.309 . 0 0 "[ . 1 . 2]" 1
109 1 8 PHE HB3 1 25 LEU MD1 2.800 . 3.700 3.415 3.003 3.708 0.008 2 0 "[ . 1 . 2]" 1
110 1 8 PHE HB3 1 25 LEU MD2 2.200 . 2.800 1.768 1.593 1.972 0.007 14 0 "[ . 1 . 2]" 1
111 1 8 PHE QD 1 9 GLN H 2.900 . 6.000 4.218 4.155 4.311 . 0 0 "[ . 1 . 2]" 1
112 1 8 PHE QD 1 19 PHE H 3.700 . 5.400 4.975 4.736 5.152 . 0 0 "[ . 1 . 2]" 1
113 1 8 PHE QD 1 19 PHE HB3 3.400 . 4.800 3.615 3.191 4.128 . 0 0 "[ . 1 . 2]" 1
114 1 8 PHE QD 1 21 ARG HA 3.000 . 4.100 3.630 3.475 3.799 . 0 0 "[ . 1 . 2]" 1
115 1 8 PHE QD 1 25 LEU HB3 2.800 . 3.800 3.568 3.466 3.660 . 0 0 "[ . 1 . 2]" 1
116 1 8 PHE QD 1 25 LEU MD2 2.300 . 3.000 3.042 2.989 3.092 0.092 14 0 "[ . 1 . 2]" 1
117 1 8 PHE QD 1 25 LEU HG 3.100 . 6.000 5.624 5.510 5.685 . 0 0 "[ . 1 . 2]" 1
118 1 8 PHE QE 1 21 ARG HA 2.500 . 3.300 3.368 3.337 3.408 0.108 5 0 "[ . 1 . 2]" 1
119 1 8 PHE QE 1 22 SER H 2.700 . 3.600 2.392 2.226 2.531 . 0 0 "[ . 1 . 2]" 1
120 1 8 PHE QE 1 22 SER HA 2.800 . 3.800 3.169 3.032 3.383 . 0 0 "[ . 1 . 2]" 1
121 1 8 PHE QE 1 22 SER QB 2.800 . 3.800 2.783 2.518 3.094 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLN H 1 9 GLN HA 2.800 . 3.800 2.855 2.829 2.873 . 0 0 "[ . 1 . 2]" 1
123 1 9 GLN H 1 9 GLN HB2 2.600 . 3.400 2.561 2.092 3.201 . 0 0 "[ . 1 . 2]" 1
124 1 9 GLN H 1 9 GLN HB3 2.500 . 3.300 2.601 2.077 3.177 . 0 0 "[ . 1 . 2]" 1
125 1 9 GLN H 1 9 GLN HG2 3.200 . 4.400 4.240 3.913 4.629 0.229 20 0 "[ . 1 . 2]" 1
126 1 9 GLN H 1 9 GLN HG3 3.100 . 6.000 4.190 3.894 4.636 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLN HA 1 9 GLN HB2 2.600 . 3.500 2.524 2.245 2.824 . 0 0 "[ . 1 . 2]" 1
128 1 9 GLN HA 1 9 GLN HB3 2.600 . 3.500 2.960 2.885 3.028 . 0 0 "[ . 1 . 2]" 1
129 1 9 GLN HA 1 9 GLN HG2 3.300 . 4.700 2.997 2.028 4.066 . 0 0 "[ . 1 . 2]" 1
130 1 9 GLN HA 1 9 GLN HG3 3.000 . 4.200 3.030 2.528 3.246 . 0 0 "[ . 1 . 2]" 1
131 1 9 GLN HA 1 10 CYS H 2.100 . 2.700 2.178 2.135 2.229 . 0 0 "[ . 1 . 2]" 1
132 1 9 GLN HA 1 18 SER HA 3.300 . 6.000 1.700 1.571 1.890 . 0 0 "[ . 1 . 2]" 1
133 1 9 GLN HA 1 18 SER HB2 2.900 . 3.900 3.821 3.492 3.990 0.090 20 0 "[ . 1 . 2]" 1
134 1 9 GLN HA 1 18 SER HB3 2.700 . 3.600 2.873 2.509 3.181 . 0 0 "[ . 1 . 2]" 1
135 1 9 GLN HA 1 19 PHE H 2.900 . 4.000 2.675 2.364 3.054 . 0 0 "[ . 1 . 2]" 1
136 1 9 GLN HA 1 19 PHE QD 3.400 . 4.900 3.922 3.748 4.197 . 0 0 "[ . 1 . 2]" 1
137 1 9 GLN HB2 1 10 CYS H 3.100 . 4.300 4.114 3.571 4.365 0.065 15 0 "[ . 1 . 2]" 1
138 1 9 GLN HB3 1 9 GLN HG2 2.800 . 3.800 2.529 2.204 2.822 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLN HB3 1 10 CYS H 3.100 . 4.300 3.954 3.339 4.348 0.048 3 0 "[ . 1 . 2]" 1
140 1 9 GLN HE21 1 9 GLN HG2 3.000 . 4.100 2.609 2.112 3.452 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLN HE21 1 9 GLN HG3 2.800 . 3.800 2.865 2.108 3.522 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLN HE21 1 10 CYS H 3.800 . 5.600 3.291 2.556 4.712 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLN HE22 1 9 GLN HG2 3.500 . 5.000 3.652 3.439 4.042 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLN HE22 1 9 GLN HG3 3.400 . 4.800 3.776 3.436 4.083 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLN HG2 1 10 CYS H 3.200 . 4.500 3.438 2.437 4.505 0.005 3 0 "[ . 1 . 2]" 1
146 1 9 GLN HG3 1 10 CYS H 3.200 . 4.500 3.562 2.358 4.503 0.003 13 0 "[ . 1 . 2]" 1
147 1 10 CYS H 1 10 CYS HA 2.800 . 3.800 2.882 2.829 2.915 . 0 0 "[ . 1 . 2]" 1
148 1 10 CYS H 1 10 CYS HB2 2.300 . 3.000 2.895 2.729 3.095 0.095 1 0 "[ . 1 . 2]" 1
149 1 10 CYS H 1 10 CYS HB3 2.400 . 3.100 2.340 2.099 2.480 . 0 0 "[ . 1 . 2]" 1
150 1 10 CYS H 1 11 THR H 3.300 . 4.600 4.457 4.342 4.538 . 0 0 "[ . 1 . 2]" 1
151 1 10 CYS H 1 18 SER HA 2.500 . 3.300 2.434 2.190 2.761 . 0 0 "[ . 1 . 2]" 1
152 1 10 CYS H 1 18 SER HB2 3.100 . 6.000 5.053 4.688 5.333 . 0 0 "[ . 1 . 2]" 1
153 1 10 CYS H 1 18 SER HB3 3.000 . 6.000 4.031 3.828 4.372 . 0 0 "[ . 1 . 2]" 1
154 1 10 CYS H 1 19 PHE QD 3.500 . 5.000 3.508 3.106 3.868 . 0 0 "[ . 1 . 2]" 1
155 1 10 CYS H 1 19 PHE QE 3.600 . 5.200 4.424 4.100 4.658 . 0 0 "[ . 1 . 2]" 1
156 1 10 CYS H 1 25 LEU MD1 3.000 . 4.100 3.181 2.999 3.352 . 0 0 "[ . 1 . 2]" 1
157 1 10 CYS H 1 25 LEU MD2 3.600 . 5.200 4.785 4.499 4.994 . 0 0 "[ . 1 . 2]" 1
158 1 10 CYS H 1 28 HIS HD2 3.700 . 6.000 5.821 5.570 6.011 0.011 13 0 "[ . 1 . 2]" 1
159 1 10 CYS HA 1 10 CYS HB2 2.400 . 3.100 2.376 2.275 2.440 . 0 0 "[ . 1 . 2]" 1
160 1 10 CYS HA 1 10 CYS HB3 2.600 . 3.500 3.014 2.953 3.030 . 0 0 "[ . 1 . 2]" 1
161 1 10 CYS HA 1 11 THR H 2.300 . 2.900 2.133 2.105 2.158 . 0 0 "[ . 1 . 2]" 1
162 1 10 CYS HA 1 12 TRP H 3.000 . 4.100 3.828 3.728 3.957 . 0 0 "[ . 1 . 2]" 1
163 1 10 CYS HA 1 25 LEU MD1 2.300 . 3.000 2.286 2.035 2.433 . 0 0 "[ . 1 . 2]" 1
164 1 10 CYS HB2 1 17 ARG H 3.100 . 4.300 3.727 3.281 4.203 . 0 0 "[ . 1 . 2]" 1
165 1 10 CYS HB2 1 19 PHE HZ 3.600 . 5.300 5.198 4.958 5.344 0.044 19 0 "[ . 1 . 2]" 1
166 1 10 CYS HB2 1 28 HIS HD2 2.400 . 3.100 2.982 2.585 3.142 0.042 3 0 "[ . 1 . 2]" 1
167 1 10 CYS HB3 1 25 LEU MD1 2.600 . 3.500 3.530 3.400 3.595 0.095 15 0 "[ . 1 . 2]" 1
168 1 11 THR H 1 11 THR HA 3.000 . 4.200 2.881 2.865 2.902 . 0 0 "[ . 1 . 2]" 1
169 1 11 THR H 1 11 THR MG 2.800 . 3.800 3.497 2.287 3.723 . 0 0 "[ . 1 . 2]" 1
170 1 11 THR H 1 12 TRP H 2.300 . 3.000 2.944 2.723 3.096 0.096 17 0 "[ . 1 . 2]" 1
171 1 11 THR H 1 25 LEU MD1 2.900 . 4.000 3.818 3.382 4.019 0.019 10 0 "[ . 1 . 2]" 1
172 1 11 THR HA 1 12 TRP H 2.800 . 3.800 3.016 2.890 3.178 . 0 0 "[ . 1 . 2]" 1
173 1 11 THR MG 1 12 TRP H 3.300 . 4.600 4.364 3.558 4.503 . 0 0 "[ . 1 . 2]" 1
174 1 12 TRP H 1 12 TRP HA 2.600 . 3.400 2.909 2.868 2.936 . 0 0 "[ . 1 . 2]" 1
175 1 12 TRP H 1 12 TRP QB 2.000 . 2.500 2.246 2.169 2.328 . 0 0 "[ . 1 . 2]" 1
176 1 12 TRP H 1 12 TRP HD1 3.300 . 6.000 5.374 5.256 5.472 . 0 0 "[ . 1 . 2]" 1
177 1 12 TRP H 1 12 TRP HE3 3.400 . 4.800 3.927 3.666 4.279 . 0 0 "[ . 1 . 2]" 1
178 1 12 TRP H 1 15 CYS HB2 3.300 . 6.000 5.426 5.171 5.695 . 0 0 "[ . 1 . 2]" 1
179 1 12 TRP H 1 15 CYS HB3 2.900 . 4.000 3.784 3.567 4.000 . 0 0 "[ . 1 . 2]" 1
180 1 12 TRP H 1 17 ARG QD 3.700 . 6.000 6.106 6.019 6.181 0.181 15 0 "[ . 1 . 2]" 1
181 1 12 TRP H 1 32 HIS HD2 4.200 . 6.300 5.331 5.040 5.621 . 0 0 "[ . 1 . 2]" 1
182 1 12 TRP HA 1 12 TRP QB 2.300 . 3.000 2.511 2.476 2.536 . 0 0 "[ . 1 . 2]" 1
183 1 12 TRP HA 1 12 TRP HD1 3.600 . 5.200 3.980 3.868 4.131 . 0 0 "[ . 1 . 2]" 1
184 1 12 TRP HA 1 12 TRP HE3 2.600 . 3.500 3.075 2.869 3.256 . 0 0 "[ . 1 . 2]" 1
185 1 12 TRP QB 1 12 TRP HZ3 3.100 . 6.000 4.875 4.832 4.939 . 0 0 "[ . 1 . 2]" 1
186 1 12 TRP QB 1 32 HIS HE1 3.000 . 4.100 3.473 3.269 3.756 . 0 0 "[ . 1 . 2]" 1
187 1 12 TRP HB2 1 12 TRP HE3 2.300 . 2.900 2.704 2.643 2.795 . 0 0 "[ . 1 . 2]" 1
188 1 12 TRP HB2 1 32 HIS HD2 2.700 . 3.600 3.627 3.379 3.704 0.104 18 0 "[ . 1 . 2]" 1
189 1 12 TRP HB3 1 12 TRP HD1 2.500 . 3.300 2.586 2.554 2.609 . 0 0 "[ . 1 . 2]" 1
190 1 12 TRP HB3 1 15 CYS H 2.900 . 3.900 2.625 2.394 2.872 . 0 0 "[ . 1 . 2]" 1
191 1 12 TRP HD1 1 14 ASP H 3.700 . 5.400 2.999 2.670 3.423 . 0 0 "[ . 1 . 2]" 1
192 1 12 TRP HD1 1 15 CYS H 3.100 . 4.300 2.582 2.097 3.161 . 0 0 "[ . 1 . 2]" 1
193 1 12 TRP HD1 1 15 CYS HA 3.500 . 5.000 4.408 3.999 4.812 . 0 0 "[ . 1 . 2]" 1
194 1 12 TRP HD1 1 15 CYS HB3 2.600 . 3.500 2.970 2.528 3.502 0.002 1 0 "[ . 1 . 2]" 1
195 1 12 TRP HD1 1 29 ARG HE 2.400 . 6.000 6.057 5.860 6.200 0.200 15 0 "[ . 1 . 2]" 1
196 1 12 TRP HD1 1 32 HIS HE1 2.700 . 3.600 3.633 3.487 3.672 0.072 9 0 "[ . 1 . 2]" 1
197 1 12 TRP HE1 1 13 PRO HD2 3.700 . 5.400 4.192 3.853 4.619 . 0 0 "[ . 1 . 2]" 1
198 1 12 TRP HE1 1 13 PRO HD3 4.200 . 6.300 5.653 5.192 6.309 0.009 2 0 "[ . 1 . 2]" 1
199 1 12 TRP HE1 1 32 HIS HB3 3.700 . 5.500 4.523 3.998 5.483 . 0 0 "[ . 1 . 2]" 1
200 1 12 TRP HE1 1 32 HIS HE1 4.000 . 6.000 4.678 4.404 4.924 . 0 0 "[ . 1 . 2]" 1
201 1 12 TRP HE3 1 32 HIS HB3 3.600 . 5.200 3.865 3.666 4.089 . 0 0 "[ . 1 . 2]" 1
202 1 12 TRP HE3 1 32 HIS HD2 3.900 . 5.800 3.714 3.490 3.935 . 0 0 "[ . 1 . 2]" 1
203 1 12 TRP HH2 1 32 HIS HB3 3.900 . 5.800 3.077 2.826 3.493 . 0 0 "[ . 1 . 2]" 1
204 1 12 TRP HH2 1 33 MET HA 3.000 . 4.200 3.217 2.898 3.535 . 0 0 "[ . 1 . 2]" 1
205 1 12 TRP HH2 1 33 MET HG2 3.000 . 6.000 4.556 2.989 5.780 . 0 0 "[ . 1 . 2]" 1
206 1 12 TRP HZ2 1 33 MET QB 3.700 . 5.400 4.294 4.061 4.539 . 0 0 "[ . 1 . 2]" 1
207 1 12 TRP HZ2 1 32 HIS HB3 3.100 . 4.300 3.339 2.814 4.154 . 0 0 "[ . 1 . 2]" 1
208 1 12 TRP HZ2 1 33 MET HA 3.400 . 4.900 3.982 3.303 4.445 . 0 0 "[ . 1 . 2]" 1
209 1 12 TRP HZ3 1 29 ARG HE 2.800 . 3.800 3.868 3.837 3.912 0.112 17 0 "[ . 1 . 2]" 1
210 1 12 TRP HZ3 1 32 HIS HB3 3.300 . 4.700 3.354 2.926 3.602 . 0 0 "[ . 1 . 2]" 1
211 1 12 TRP HZ3 1 33 MET HA 3.500 . 5.100 5.131 4.971 5.182 0.082 14 0 "[ . 1 . 2]" 1
212 1 12 TRP HZ3 1 33 MET HG2 2.900 . 6.000 5.094 3.486 6.026 0.026 10 0 "[ . 1 . 2]" 1
213 1 13 PRO HA 1 13 PRO HB2 2.400 . 3.100 2.933 2.732 2.981 . 0 0 "[ . 1 . 2]" 1
214 1 13 PRO HA 1 13 PRO HD2 2.300 . 6.000 3.951 3.917 4.096 . 0 0 "[ . 1 . 2]" 1
215 1 13 PRO HA 1 14 ASP H 2.000 . 6.000 3.563 3.488 3.585 . 0 0 "[ . 1 . 2]" 1
216 1 13 PRO HA 1 15 CYS H 2.900 . 6.000 4.262 3.937 4.815 . 0 0 "[ . 1 . 2]" 1
217 1 13 PRO HD2 1 14 ASP H 2.800 . 3.800 2.854 2.407 3.591 . 0 0 "[ . 1 . 2]" 1
218 1 13 PRO HD2 1 15 CYS H 3.900 . 5.800 4.222 3.922 4.564 . 0 0 "[ . 1 . 2]" 1
219 1 13 PRO HD3 1 14 ASP H 3.700 . 5.400 4.131 3.798 4.349 . 0 0 "[ . 1 . 2]" 1
220 1 14 ASP H 1 14 ASP HA 2.400 . 3.100 2.860 2.828 2.903 . 0 0 "[ . 1 . 2]" 1
221 1 14 ASP H 1 14 ASP QB 2.500 . 3.300 2.181 2.040 2.340 . 0 0 "[ . 1 . 2]" 1
222 1 14 ASP H 1 15 CYS H 2.500 . 3.300 2.483 2.239 2.615 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASP HA 1 14 ASP QB 2.100 . 2.700 2.258 2.150 2.438 . 0 0 "[ . 1 . 2]" 1
224 1 15 CYS H 1 15 CYS HB2 2.300 . 3.000 2.834 2.518 3.046 0.046 16 0 "[ . 1 . 2]" 1
225 1 15 CYS H 1 15 CYS HB3 2.300 . 3.000 2.304 2.111 2.430 . 0 0 "[ . 1 . 2]" 1
226 1 15 CYS H 1 16 ASP H 3.100 . 4.300 2.733 2.553 3.069 . 0 0 "[ . 1 . 2]" 1
227 1 15 CYS HA 1 15 CYS HB2 2.600 . 3.400 2.377 2.295 2.464 . 0 0 "[ . 1 . 2]" 1
228 1 15 CYS HA 1 15 CYS HB3 2.500 . 3.300 3.008 2.978 3.022 . 0 0 "[ . 1 . 2]" 1
229 1 15 CYS HA 1 16 ASP H 2.100 . 6.000 3.552 3.536 3.573 . 0 0 "[ . 1 . 2]" 1
230 1 15 CYS HA 1 32 HIS HE1 3.700 . 5.400 4.368 4.088 4.612 . 0 0 "[ . 1 . 2]" 1
231 1 15 CYS HB2 1 16 ASP H 2.900 . 3.900 3.607 3.498 3.718 . 0 0 "[ . 1 . 2]" 1
232 1 15 CYS HB2 1 32 HIS HD2 3.600 . 5.300 4.514 4.282 4.810 . 0 0 "[ . 1 . 2]" 1
233 1 15 CYS HB2 1 32 HIS HE1 2.900 . 3.900 2.177 1.885 2.421 0.015 15 0 "[ . 1 . 2]" 1
234 1 15 CYS HB3 1 17 ARG H 3.100 . 4.300 3.829 3.578 4.060 . 0 0 "[ . 1 . 2]" 1
235 1 15 CYS HB3 1 32 HIS HE1 2.600 . 3.400 3.303 2.986 3.454 0.054 1 0 "[ . 1 . 2]" 1
236 1 16 ASP H 1 16 ASP HA 2.400 . 3.100 2.260 2.249 2.267 . 0 0 "[ . 1 . 2]" 1
237 1 16 ASP H 1 16 ASP HB2 2.400 . 3.100 3.114 3.073 3.144 0.044 16 0 "[ . 1 . 2]" 1
238 1 16 ASP H 1 16 ASP HB3 2.600 . 6.000 3.763 3.579 3.967 . 0 0 "[ . 1 . 2]" 1
239 1 16 ASP H 1 17 ARG HB2 3.100 . 4.300 4.396 4.375 4.427 0.127 9 0 "[ . 1 . 2]" 1
240 1 16 ASP HA 1 16 ASP HB2 2.200 . 2.800 2.583 2.456 2.762 . 0 0 "[ . 1 . 2]" 1
241 1 16 ASP HA 1 16 ASP HB3 2.200 . 2.800 2.976 2.901 2.999 0.199 12 0 "[ . 1 . 2]" 1
242 1 16 ASP HA 1 17 ARG H 2.700 . 3.600 2.521 2.410 2.711 . 0 0 "[ . 1 . 2]" 1
243 1 16 ASP HB3 1 17 ARG H 3.400 . 4.900 4.332 4.239 4.412 . 0 0 "[ . 1 . 2]" 1
244 1 17 ARG H 1 17 ARG HA 2.600 . 3.400 2.926 2.901 2.937 . 0 0 "[ . 1 . 2]" 1
245 1 17 ARG H 1 17 ARG HB2 3.400 . 4.800 2.212 2.139 2.263 . 0 0 "[ . 1 . 2]" 1
246 1 17 ARG H 1 17 ARG HD2 3.000 . 4.100 3.154 2.688 3.766 . 0 0 "[ . 1 . 2]" 1
247 1 17 ARG H 1 17 ARG HG2 3.400 . 4.800 4.336 4.101 4.614 . 0 0 "[ . 1 . 2]" 1
248 1 17 ARG H 1 18 SER H 3.400 . 4.800 4.517 4.458 4.569 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG HA 1 17 ARG QB 2.400 . 3.100 2.531 2.523 2.539 . 0 0 "[ . 1 . 2]" 1
250 1 17 ARG HA 1 17 ARG HD2 2.700 . 3.600 2.140 1.894 3.342 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG HA 1 17 ARG HE 3.000 . 4.200 3.461 2.197 4.312 0.112 6 0 "[ . 1 . 2]" 1
252 1 17 ARG HA 1 18 SER H 2.200 . 2.800 2.518 2.346 2.627 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG QB 1 17 ARG HE 2.900 . 3.900 3.915 3.303 4.146 0.246 9 0 "[ . 1 . 2]" 1
254 1 17 ARG QB 1 19 PHE HZ 2.700 . 3.600 3.690 3.630 3.753 0.153 6 0 "[ . 1 . 2]" 1
255 1 17 ARG QB 1 28 HIS HE1 2.700 . 3.600 3.256 2.953 3.611 0.011 16 0 "[ . 1 . 2]" 1
256 1 17 ARG HB3 1 19 PHE QE 3.000 . 4.100 2.072 1.893 2.266 0.007 13 0 "[ . 1 . 2]" 1
257 1 17 ARG QD 1 17 ARG HE 2.500 . 3.300 2.454 2.192 2.497 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG QD 1 17 ARG HG2 2.600 . 3.400 2.220 2.137 2.408 . 0 0 "[ . 1 . 2]" 1
259 1 17 ARG QD 1 18 SER H 3.100 . 4.300 4.120 3.939 4.482 0.182 12 0 "[ . 1 . 2]" 1
260 1 17 ARG QD 1 25 LEU MD1 3.300 . 6.000 4.782 4.699 4.911 . 0 0 "[ . 1 . 2]" 1
261 1 17 ARG HD3 1 19 PHE QE 2.500 . 3.300 2.722 2.445 3.358 0.058 8 0 "[ . 1 . 2]" 1
262 1 17 ARG HD3 1 28 HIS HE1 3.100 . 4.300 3.472 3.001 3.761 . 0 0 "[ . 1 . 2]" 1
263 1 17 ARG HE 1 17 ARG HG2 3.100 . 4.300 3.039 2.435 4.029 . 0 0 "[ . 1 . 2]" 1
264 1 17 ARG HE 1 17 ARG HG3 2.900 . 3.900 2.333 2.091 3.327 . 0 0 "[ . 1 . 2]" 1
265 1 17 ARG HG2 1 19 PHE QE 2.700 . 3.600 3.312 3.035 3.577 . 0 0 "[ . 1 . 2]" 1
266 1 17 ARG HG2 1 19 PHE HZ 2.800 . 3.800 3.664 3.263 3.810 0.010 17 0 "[ . 1 . 2]" 1
267 1 17 ARG HG2 1 28 HIS HE1 3.200 . 4.500 2.357 1.927 2.761 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG HG3 1 18 SER H 3.900 . 5.800 2.945 2.609 3.128 . 0 0 "[ . 1 . 2]" 1
269 1 17 ARG HG3 1 19 PHE QE 3.000 . 4.100 3.794 3.466 4.083 . 0 0 "[ . 1 . 2]" 1
270 1 17 ARG HG3 1 19 PHE HZ 3.700 . 5.400 4.329 3.764 4.607 . 0 0 "[ . 1 . 2]" 1
271 1 18 SER H 1 18 SER HA 2.900 . 4.000 2.909 2.875 2.925 . 0 0 "[ . 1 . 2]" 1
272 1 18 SER H 1 18 SER HB2 3.400 . 4.800 3.579 2.924 3.813 . 0 0 "[ . 1 . 2]" 1
273 1 18 SER H 1 18 SER HB3 3.300 . 4.600 3.758 3.453 3.930 . 0 0 "[ . 1 . 2]" 1
274 1 18 SER H 1 19 PHE H 3.900 . 5.800 4.175 4.113 4.256 . 0 0 "[ . 1 . 2]" 1
275 1 18 SER HA 1 18 SER HB2 2.400 . 3.100 2.771 2.565 3.023 . 0 0 "[ . 1 . 2]" 1
276 1 18 SER HA 1 18 SER HB3 2.300 . 3.000 2.278 2.239 2.528 . 0 0 "[ . 1 . 2]" 1
277 1 18 SER HA 1 19 PHE H 2.200 . 2.800 2.171 2.130 2.210 . 0 0 "[ . 1 . 2]" 1
278 1 18 SER HA 1 19 PHE QD 2.700 . 3.600 3.188 3.036 3.345 . 0 0 "[ . 1 . 2]" 1
279 1 18 SER HA 1 19 PHE QE 3.400 . 4.800 4.741 4.517 4.848 0.048 4 0 "[ . 1 . 2]" 1
280 1 18 SER HB3 1 19 PHE H 2.800 . 3.800 3.800 3.212 4.080 0.280 8 0 "[ . 1 . 2]" 1
281 1 18 SER HB3 1 19 PHE QD 3.300 . 6.000 5.341 5.103 5.528 . 0 0 "[ . 1 . 2]" 1
282 1 19 PHE H 1 19 PHE HB2 2.800 . 6.000 2.492 2.397 2.618 . 0 0 "[ . 1 . 2]" 1
283 1 19 PHE H 1 19 PHE HB3 2.800 . 3.800 3.688 3.632 3.766 . 0 0 "[ . 1 . 2]" 1
284 1 19 PHE H 1 19 PHE QD 2.700 . 3.600 2.706 2.545 2.805 . 0 0 "[ . 1 . 2]" 1
285 1 19 PHE H 1 19 PHE QE 3.400 . 4.900 4.893 4.791 4.946 0.046 17 0 "[ . 1 . 2]" 1
286 1 19 PHE H 1 25 LEU MD1 3.400 . 4.800 3.584 3.367 3.735 . 0 0 "[ . 1 . 2]" 1
287 1 19 PHE H 1 25 LEU MD2 3.700 . 5.400 4.128 3.705 4.473 . 0 0 "[ . 1 . 2]" 1
288 1 19 PHE HB2 1 19 PHE QD 2.300 . 3.000 2.457 2.418 2.534 . 0 0 "[ . 1 . 2]" 1
289 1 19 PHE HB2 1 20 SER H 2.800 . 6.000 3.587 3.272 3.878 . 0 0 "[ . 1 . 2]" 1
290 1 19 PHE HB2 1 21 ARG H 2.700 . 3.600 3.627 3.189 3.815 0.215 6 0 "[ . 1 . 2]" 1
291 1 19 PHE HB2 1 24 HIS HB2 4.300 . 6.300 5.798 5.342 6.432 0.132 17 0 "[ . 1 . 2]" 1
292 1 19 PHE HB2 1 24 HIS HB3 3.700 . 5.400 5.283 4.834 5.712 0.312 13 0 "[ . 1 . 2]" 1
293 1 19 PHE HB2 1 25 LEU H 3.600 . 5.300 4.129 3.857 4.518 . 0 0 "[ . 1 . 2]" 1
294 1 19 PHE HB2 1 25 LEU MD1 3.800 . 5.600 3.069 2.728 3.286 . 0 0 "[ . 1 . 2]" 1
295 1 19 PHE HB2 1 25 LEU MD2 3.800 . 5.600 3.004 2.857 3.186 . 0 0 "[ . 1 . 2]" 1
296 1 19 PHE HB3 1 19 PHE QD 2.500 . 3.300 2.305 2.273 2.329 . 0 0 "[ . 1 . 2]" 1
297 1 19 PHE HB3 1 21 ARG H 2.800 . 3.800 2.109 1.877 2.246 . 0 0 "[ . 1 . 2]" 1
298 1 19 PHE HB3 1 25 LEU H 3.700 . 5.400 3.753 3.481 4.062 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE QD 1 23 ASP H 3.600 . 6.000 6.150 6.062 6.205 0.205 8 0 "[ . 1 . 2]" 1
300 1 19 PHE QD 1 24 HIS HB3 2.900 . 3.900 2.566 2.187 3.218 . 0 0 "[ . 1 . 2]" 1
301 1 19 PHE QD 1 25 LEU HA 2.700 . 3.600 3.665 3.630 3.706 0.106 17 0 "[ . 1 . 2]" 1
302 1 19 PHE QD 1 25 LEU HB2 3.100 . 4.300 2.458 2.201 2.695 . 0 0 "[ . 1 . 2]" 1
303 1 19 PHE QD 1 25 LEU HB3 3.200 . 4.500 3.788 3.694 3.902 . 0 0 "[ . 1 . 2]" 1
304 1 19 PHE QD 1 25 LEU MD1 2.400 . 3.100 2.286 1.989 2.490 . 0 0 "[ . 1 . 2]" 1
305 1 19 PHE QD 1 25 LEU MD2 2.900 . 4.000 3.830 3.420 3.995 . 0 0 "[ . 1 . 2]" 1
306 1 19 PHE QE 1 21 ARG QD 3.700 . 5.400 4.685 3.650 5.215 . 0 0 "[ . 1 . 2]" 1
307 1 19 PHE QE 1 21 ARG HE 2.800 . 3.800 3.902 3.815 3.976 0.176 17 0 "[ . 1 . 2]" 1
308 1 19 PHE QE 1 25 LEU HA 2.800 . 3.800 3.524 3.404 3.644 . 0 0 "[ . 1 . 2]" 1
309 1 19 PHE QE 1 25 LEU HB3 3.700 . 5.400 4.998 4.846 5.171 . 0 0 "[ . 1 . 2]" 1
310 1 19 PHE QE 1 25 LEU MD1 2.600 . 3.500 2.935 2.652 3.124 . 0 0 "[ . 1 . 2]" 1
311 1 19 PHE QE 1 25 LEU MD2 3.700 . 5.400 5.176 4.953 5.367 . 0 0 "[ . 1 . 2]" 1
312 1 19 PHE QE 1 28 HIS HB2 3.100 . 4.300 3.592 3.325 3.701 . 0 0 "[ . 1 . 2]" 1
313 1 19 PHE QE 1 28 HIS HB3 3.100 . 4.300 3.702 3.570 3.805 . 0 0 "[ . 1 . 2]" 1
314 1 19 PHE QE 1 28 HIS HE1 3.200 . 4.500 3.849 3.537 4.174 . 0 0 "[ . 1 . 2]" 1
315 1 19 PHE QE 1 29 ARG HB2 3.200 . 4.500 4.567 4.518 4.607 0.107 9 0 "[ . 1 . 2]" 1
316 1 19 PHE HZ 1 25 LEU MD1 3.600 . 5.200 4.552 4.351 4.806 . 0 0 "[ . 1 . 2]" 1
317 1 19 PHE HZ 1 28 HIS HA 3.500 . 5.100 5.050 4.762 5.170 0.070 17 0 "[ . 1 . 2]" 1
318 1 19 PHE HZ 1 28 HIS HB2 2.900 . 4.000 2.963 2.618 3.098 . 0 0 "[ . 1 . 2]" 1
319 1 19 PHE HZ 1 28 HIS HB3 2.700 . 3.600 3.530 3.158 3.697 0.097 19 0 "[ . 1 . 2]" 1
320 1 19 PHE HZ 1 28 HIS HD2 3.500 . 5.000 4.259 3.995 4.563 . 0 0 "[ . 1 . 2]" 1
321 1 19 PHE HZ 1 28 HIS HE1 3.800 . 5.600 3.722 3.323 4.037 . 0 0 "[ . 1 . 2]" 1
322 1 20 SER H 1 20 SER HA 2.900 . 4.000 2.939 2.923 2.947 . 0 0 "[ . 1 . 2]" 1
323 1 20 SER H 1 20 SER HB2 2.800 . 3.800 3.283 2.692 3.561 . 0 0 "[ . 1 . 2]" 1
324 1 20 SER H 1 20 SER HB3 2.800 . 3.800 3.680 3.446 3.842 0.042 8 0 "[ . 1 . 2]" 1
325 1 20 SER H 1 21 ARG H 2.500 . 6.000 1.680 1.595 1.861 . 0 0 "[ . 1 . 2]" 1
326 1 20 SER H 1 21 ARG HG3 3.300 . 4.700 3.961 2.791 4.713 0.013 15 0 "[ . 1 . 2]" 1
327 1 20 SER HA 1 20 SER HB2 2.600 . 3.400 2.856 2.689 3.032 . 0 0 "[ . 1 . 2]" 1
328 1 20 SER HA 1 20 SER HB3 2.800 . 3.800 2.281 2.249 2.429 . 0 0 "[ . 1 . 2]" 1
329 1 20 SER HA 1 21 ARG H 3.100 . 4.300 3.315 3.247 3.394 . 0 0 "[ . 1 . 2]" 1
330 1 20 SER HB2 1 21 ARG QD 3.000 . 6.000 3.624 2.806 5.339 . 0 0 "[ . 1 . 2]" 1
331 1 20 SER HB3 1 21 ARG H 3.600 . 5.200 4.421 4.158 4.508 . 0 0 "[ . 1 . 2]" 1
332 1 21 ARG H 1 21 ARG HA 2.800 . 3.800 2.933 2.924 2.941 . 0 0 "[ . 1 . 2]" 1
333 1 21 ARG H 1 21 ARG HB2 3.400 . 4.800 2.660 2.470 3.023 . 0 0 "[ . 1 . 2]" 1
334 1 21 ARG H 1 21 ARG HG2 3.100 . 4.300 3.988 3.327 4.299 . 0 0 "[ . 1 . 2]" 1
335 1 21 ARG H 1 21 ARG HG3 3.200 . 4.500 3.074 1.868 3.679 0.032 6 0 "[ . 1 . 2]" 1
336 1 21 ARG H 1 22 SER H 4.100 . 6.200 4.365 4.262 4.440 . 0 0 "[ . 1 . 2]" 1
337 1 21 ARG H 1 24 HIS HB2 3.400 . 4.800 4.143 3.810 4.497 . 0 0 "[ . 1 . 2]" 1
338 1 21 ARG HA 1 21 ARG HB2 2.500 . 3.300 3.013 2.945 3.032 . 0 0 "[ . 1 . 2]" 1
339 1 21 ARG HA 1 21 ARG HB3 2.500 . 3.300 2.404 2.263 2.504 . 0 0 "[ . 1 . 2]" 1
340 1 21 ARG HA 1 21 ARG HG2 3.000 . 4.100 3.566 2.893 3.823 . 0 0 "[ . 1 . 2]" 1
341 1 21 ARG HA 1 21 ARG HG3 2.800 . 3.800 2.659 2.376 3.266 . 0 0 "[ . 1 . 2]" 1
342 1 21 ARG HA 1 22 SER H 2.100 . 2.700 2.134 2.068 2.160 . 0 0 "[ . 1 . 2]" 1
343 1 21 ARG HA 1 23 ASP H 2.800 . 3.800 3.723 3.594 3.855 0.055 9 0 "[ . 1 . 2]" 1
344 1 21 ARG HB2 1 21 ARG QD 2.500 . 6.000 2.224 2.006 2.436 . 0 0 "[ . 1 . 2]" 1
345 1 21 ARG HB2 1 21 ARG HE 2.500 . 6.000 3.217 2.707 3.852 . 0 0 "[ . 1 . 2]" 1
346 1 21 ARG HB2 1 23 ASP H 3.000 . 4.100 3.972 3.346 4.195 0.095 17 0 "[ . 1 . 2]" 1
347 1 21 ARG HB2 1 24 HIS H 2.700 . 3.600 2.874 2.470 3.142 . 0 0 "[ . 1 . 2]" 1
348 1 21 ARG HB3 1 21 ARG QD 3.100 . 4.300 3.215 2.564 3.412 . 0 0 "[ . 1 . 2]" 1
349 1 21 ARG HB3 1 21 ARG HE 3.300 . 4.700 4.387 4.046 4.725 0.025 6 0 "[ . 1 . 2]" 1
350 1 21 ARG HB3 1 21 ARG HG3 2.600 . 3.500 2.670 2.580 2.992 . 0 0 "[ . 1 . 2]" 1
351 1 21 ARG HB3 1 22 SER H 2.700 . 3.600 3.442 3.268 3.624 0.024 14 0 "[ . 1 . 2]" 1
352 1 21 ARG HB3 1 23 ASP H 3.000 . 4.100 3.149 2.920 3.568 . 0 0 "[ . 1 . 2]" 1
353 1 21 ARG HB3 1 24 HIS H 2.700 . 3.600 2.972 2.436 3.629 0.029 18 0 "[ . 1 . 2]" 1
354 1 21 ARG QD 1 21 ARG HE 2.500 . 3.300 2.225 2.182 2.308 . 0 0 "[ . 1 . 2]" 1
355 1 21 ARG QD 1 21 ARG HG2 2.700 . 2.800 2.434 2.140 2.531 . 0 0 "[ . 1 . 2]" 1
356 1 21 ARG QD 1 21 ARG HG3 2.500 . 2.800 2.216 2.137 2.528 . 0 0 "[ . 1 . 2]" 1
357 1 21 ARG QD 1 21 ARG QH2 3.600 . 4.300 3.663 3.623 3.696 . 0 0 "[ . 1 . 2]" 1
358 1 21 ARG HE 1 21 ARG HG2 3.600 . 5.200 3.199 2.667 4.113 . 0 0 "[ . 1 . 2]" 1
359 1 21 ARG HE 1 21 ARG HG3 3.000 . 4.100 3.766 2.568 4.077 . 0 0 "[ . 1 . 2]" 1
360 1 21 ARG HG3 1 22 SER H 3.400 . 4.800 4.679 4.341 5.098 0.298 3 0 "[ . 1 . 2]" 1
361 1 22 SER H 1 22 SER HA 2.500 . 3.300 2.846 2.816 2.866 . 0 0 "[ . 1 . 2]" 1
362 1 22 SER H 1 22 SER QB 2.600 . 3.500 2.898 2.871 2.916 . 0 0 "[ . 1 . 2]" 1
363 1 22 SER H 1 23 ASP H 2.500 . 3.300 2.558 2.439 2.659 . 0 0 "[ . 1 . 2]" 1
364 1 22 SER H 1 23 ASP HB2 4.100 . 6.200 5.515 4.538 6.062 . 0 0 "[ . 1 . 2]" 1
365 1 22 SER HA 1 23 ASP H 2.600 . 3.500 3.467 3.403 3.515 0.015 20 0 "[ . 1 . 2]" 1
366 1 22 SER HA 1 25 LEU HB2 3.200 . 6.000 5.004 4.720 5.294 . 0 0 "[ . 1 . 2]" 1
367 1 22 SER HA 1 25 LEU MD2 2.400 . 3.100 3.080 2.942 3.127 0.027 5 0 "[ . 1 . 2]" 1
368 1 22 SER HA 1 26 ALA H 3.300 . 4.600 4.174 3.830 4.555 . 0 0 "[ . 1 . 2]" 1
369 1 22 SER QB 1 23 ASP H 3.100 . 4.300 3.263 2.966 3.463 . 0 0 "[ . 1 . 2]" 1
370 1 23 ASP H 1 23 ASP HA 2.500 . 3.300 2.921 2.870 2.956 . 0 0 "[ . 1 . 2]" 1
371 1 23 ASP H 1 23 ASP HB2 2.500 . 3.300 3.224 2.427 3.624 0.324 2 0 "[ . 1 . 2]" 1
372 1 23 ASP H 1 23 ASP HB3 2.600 . 3.500 2.384 2.144 2.821 . 0 0 "[ . 1 . 2]" 1
373 1 23 ASP H 1 24 HIS H 2.600 . 3.400 2.209 1.891 2.471 . 0 0 "[ . 1 . 2]" 1
374 1 23 ASP H 1 24 HIS HB2 4.100 . 6.200 4.041 3.813 4.350 . 0 0 "[ . 1 . 2]" 1
375 1 23 ASP H 1 25 LEU HB3 3.200 . 4.400 4.245 3.983 4.404 0.004 14 0 "[ . 1 . 2]" 1
376 1 23 ASP HA 1 23 ASP HB3 2.200 . 2.800 2.870 2.453 3.026 0.226 15 0 "[ . 1 . 2]" 1
377 1 23 ASP HA 1 26 ALA H 2.700 . 3.600 3.527 3.166 3.710 0.110 14 0 "[ . 1 . 2]" 1
378 1 23 ASP HA 1 26 ALA MB 2.200 . 2.800 2.487 2.055 2.821 0.021 14 0 "[ . 1 . 2]" 1
379 1 23 ASP HB2 1 24 HIS H 3.500 . 5.000 4.325 3.999 4.499 . 0 0 "[ . 1 . 2]" 1
380 1 23 ASP HB2 1 26 ALA MB 3.500 . 5.000 4.436 3.982 4.866 . 0 0 "[ . 1 . 2]" 1
381 1 23 ASP HB3 1 24 HIS H 3.200 . 4.500 3.559 3.110 4.248 . 0 0 "[ . 1 . 2]" 1
382 1 23 ASP HB3 1 26 ALA MB 3.700 . 5.400 4.942 4.623 5.363 . 0 0 "[ . 1 . 2]" 1
383 1 24 HIS H 1 24 HIS HA 2.500 . 3.300 2.913 2.873 2.933 . 0 0 "[ . 1 . 2]" 1
384 1 24 HIS H 1 24 HIS HB2 2.500 . 3.300 2.305 2.200 2.420 . 0 0 "[ . 1 . 2]" 1
385 1 24 HIS H 1 24 HIS HB3 2.600 . 3.500 3.365 3.235 3.461 . 0 0 "[ . 1 . 2]" 1
386 1 24 HIS H 1 24 HIS HD2 3.000 . 4.100 4.129 3.958 4.255 0.155 14 0 "[ . 1 . 2]" 1
387 1 24 HIS H 1 25 LEU HB3 3.600 . 5.200 4.119 3.966 4.344 . 0 0 "[ . 1 . 2]" 1
388 1 24 HIS HA 1 24 HIS HB2 2.800 . 3.800 2.866 2.805 2.930 . 0 0 "[ . 1 . 2]" 1
389 1 24 HIS HA 1 24 HIS HB3 2.600 . 3.400 2.809 2.738 2.877 . 0 0 "[ . 1 . 2]" 1
390 1 24 HIS HA 1 24 HIS HD2 2.300 . 3.000 1.999 1.829 2.146 . 0 0 "[ . 1 . 2]" 1
391 1 24 HIS HA 1 25 LEU H 3.100 . 4.300 3.520 3.492 3.544 . 0 0 "[ . 1 . 2]" 1
392 1 24 HIS HA 1 27 LEU H 3.000 . 4.100 3.431 3.103 3.589 . 0 0 "[ . 1 . 2]" 1
393 1 24 HIS HA 1 27 LEU HG 2.500 . 3.300 3.011 2.395 3.336 0.036 8 0 "[ . 1 . 2]" 1
394 1 24 HIS HA 1 28 HIS H 3.300 . 4.700 3.897 3.653 4.150 . 0 0 "[ . 1 . 2]" 1
395 1 24 HIS HB2 1 24 HIS HD2 3.200 . 4.500 3.502 3.409 3.755 . 0 0 "[ . 1 . 2]" 1
396 1 24 HIS HB3 1 25 LEU H 2.400 . 3.100 2.989 2.753 3.117 0.017 10 0 "[ . 1 . 2]" 1
397 1 24 HIS HD2 1 27 LEU H 3.500 . 5.000 5.031 4.862 5.091 0.091 14 0 "[ . 1 . 2]" 1
398 1 24 HIS HD2 1 27 LEU HG 2.800 . 3.800 3.829 3.577 3.879 0.079 18 0 "[ . 1 . 2]" 1
399 1 25 LEU H 1 25 LEU HA 2.500 . 3.300 2.864 2.824 2.894 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU H 1 25 LEU HB2 2.300 . 6.000 2.978 2.899 3.095 . 0 0 "[ . 1 . 2]" 1
401 1 25 LEU H 1 25 LEU HB3 2.300 . 3.000 2.098 2.051 2.144 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU H 1 25 LEU MD1 3.100 . 4.300 4.375 4.346 4.399 0.099 8 0 "[ . 1 . 2]" 1
403 1 25 LEU H 1 25 LEU MD2 3.100 . 4.300 3.733 3.648 3.820 . 0 0 "[ . 1 . 2]" 1
404 1 25 LEU H 1 25 LEU HG 3.000 . 4.100 4.098 3.999 4.172 0.072 14 0 "[ . 1 . 2]" 1
405 1 25 LEU H 1 26 ALA H 2.500 . 3.300 2.490 2.304 2.636 . 0 0 "[ . 1 . 2]" 1
406 1 25 LEU H 1 28 HIS HB3 3.900 . 5.800 4.426 4.265 4.630 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU HA 1 25 LEU HB2 2.300 . 3.000 2.280 2.256 2.301 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU HA 1 25 LEU HB3 2.500 . 3.300 2.962 2.938 2.983 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU HA 1 25 LEU MD1 2.100 . 2.700 2.745 2.713 2.788 0.088 9 0 "[ . 1 . 2]" 1
410 1 25 LEU HA 1 25 LEU MD2 2.500 . 6.000 4.044 4.014 4.063 . 0 0 "[ . 1 . 2]" 1
411 1 25 LEU HA 1 25 LEU HG 2.600 . 3.500 3.149 3.049 3.226 . 0 0 "[ . 1 . 2]" 1
412 1 25 LEU HA 1 26 ALA H 3.100 . 4.300 3.438 3.318 3.525 . 0 0 "[ . 1 . 2]" 1
413 1 25 LEU HB2 1 25 LEU MD1 2.200 . 2.800 2.112 1.984 2.159 . 0 0 "[ . 1 . 2]" 1
414 1 25 LEU HB2 1 25 LEU MD2 2.400 . 3.100 2.736 2.705 2.786 . 0 0 "[ . 1 . 2]" 1
415 1 25 LEU HB2 1 26 ALA H 2.700 . 6.000 4.360 4.277 4.463 . 0 0 "[ . 1 . 2]" 1
416 1 25 LEU HB2 1 27 LEU H 3.200 . 4.500 4.618 4.548 4.651 0.151 4 0 "[ . 1 . 2]" 1
417 1 25 LEU MD1 1 25 LEU HG 2.200 . 2.800 2.102 2.081 2.120 . 0 0 "[ . 1 . 2]" 1
418 1 25 LEU MD1 1 26 ALA H 3.600 . 5.200 4.746 4.578 4.844 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU MD1 1 26 ALA HA 2.900 . 6.000 4.678 4.426 4.799 . 0 0 "[ . 1 . 2]" 1
420 1 25 LEU MD1 1 28 HIS HD2 2.500 . 3.300 2.853 2.615 3.113 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU MD1 1 29 ARG H 3.300 . 4.700 4.358 4.135 4.710 0.010 15 0 "[ . 1 . 2]" 1
422 1 25 LEU MD1 1 29 ARG HD2 3.000 . 4.100 2.313 2.024 2.603 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU MD2 1 25 LEU HG 2.100 . 2.700 2.085 2.079 2.108 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU MD2 1 26 ALA H 3.200 . 4.500 4.027 3.747 4.422 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU MD2 1 29 ARG HD2 3.600 . 5.200 3.838 3.506 4.434 . 0 0 "[ . 1 . 2]" 1
426 1 25 LEU HG 1 26 ALA H 2.800 . 3.800 3.622 3.320 3.875 0.075 4 0 "[ . 1 . 2]" 1
427 1 26 ALA H 1 26 ALA HA 2.400 . 3.100 2.888 2.857 2.922 . 0 0 "[ . 1 . 2]" 1
428 1 26 ALA H 1 26 ALA MB 2.300 . 2.900 2.174 2.090 2.333 . 0 0 "[ . 1 . 2]" 1
429 1 26 ALA H 1 27 LEU H 2.600 . 3.400 2.461 2.317 2.655 . 0 0 "[ . 1 . 2]" 1
430 1 26 ALA H 1 27 LEU HB3 4.400 . 6.300 5.065 4.573 5.987 . 0 0 "[ . 1 . 2]" 1
431 1 26 ALA H 1 28 HIS H 2.800 . 3.800 3.706 3.492 3.831 0.031 10 0 "[ . 1 . 2]" 1
432 1 26 ALA HA 1 29 ARG H 2.700 . 3.600 3.529 3.390 3.602 0.002 20 0 "[ . 1 . 2]" 1
433 1 26 ALA HA 1 29 ARG HB2 2.100 . 2.700 2.766 2.619 2.830 0.130 18 0 "[ . 1 . 2]" 1
434 1 26 ALA HA 1 29 ARG HD3 3.300 . 4.600 4.609 4.391 4.727 0.127 14 0 "[ . 1 . 2]" 1
435 1 26 ALA MB 1 27 LEU H 2.400 . 3.100 2.609 2.417 2.779 . 0 0 "[ . 1 . 2]" 1
436 1 26 ALA MB 1 29 ARG H 3.400 . 4.800 4.563 4.510 4.631 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU H 1 27 LEU HA 2.400 . 3.100 2.871 2.852 2.895 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU H 1 27 LEU HB3 2.400 . 6.000 2.733 2.291 3.606 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU H 1 27 LEU HG 2.700 . 3.600 2.717 1.944 3.105 . 0 0 "[ . 1 . 2]" 1
440 1 27 LEU H 1 28 HIS HB2 3.300 . 6.000 5.038 4.812 5.180 . 0 0 "[ . 1 . 2]" 1
441 1 27 LEU H 1 29 ARG H 4.200 . 6.300 3.863 3.751 3.934 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU HA 1 27 LEU HB2 2.600 . 3.400 2.493 2.247 3.020 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU HA 1 27 LEU HB3 2.600 . 3.400 2.565 2.364 2.684 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU HA 1 28 HIS H 2.900 . 3.900 3.492 3.467 3.517 . 0 0 "[ . 1 . 2]" 1
445 1 27 LEU HB2 1 28 HIS H 2.500 . 6.000 3.642 2.377 4.206 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU HB2 1 29 ARG H 3.800 . 5.600 5.408 4.901 5.658 0.058 16 0 "[ . 1 . 2]" 1
447 1 27 LEU HB3 1 27 LEU HG 2.300 . 3.000 2.779 2.671 3.020 0.020 8 0 "[ . 1 . 2]" 1
448 1 27 LEU HB3 1 28 HIS H 2.800 . 3.800 3.679 3.241 4.099 0.299 1 0 "[ . 1 . 2]" 1
449 1 27 LEU HB3 1 29 ARG H 3.800 . 5.600 5.492 5.311 5.636 0.036 1 0 "[ . 1 . 2]" 1
450 1 27 LEU HG 1 28 HIS H 3.400 . 4.900 2.705 1.993 4.520 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU HG 1 30 LYS H 4.200 . 6.300 5.574 4.944 6.342 0.042 5 0 "[ . 1 . 2]" 1
452 1 28 HIS H 1 28 HIS HA 2.600 . 3.500 2.806 2.771 2.826 . 0 0 "[ . 1 . 2]" 1
453 1 28 HIS H 1 28 HIS HB2 2.200 . 2.800 2.758 2.614 2.825 0.025 17 0 "[ . 1 . 2]" 1
454 1 28 HIS H 1 28 HIS HB3 2.600 . 3.500 2.238 2.181 2.346 . 0 0 "[ . 1 . 2]" 1
455 1 28 HIS H 1 28 HIS HD2 3.200 . 6.000 4.670 4.575 4.850 . 0 0 "[ . 1 . 2]" 1
456 1 28 HIS H 1 29 ARG H 2.700 . 3.600 2.618 2.539 2.786 . 0 0 "[ . 1 . 2]" 1
457 1 28 HIS HA 1 28 HIS HB2 2.500 . 3.300 2.342 2.315 2.398 . 0 0 "[ . 1 . 2]" 1
458 1 28 HIS HA 1 28 HIS HB3 2.300 . 2.900 2.995 2.984 3.013 0.113 19 0 "[ . 1 . 2]" 1
459 1 28 HIS HA 1 28 HIS HD2 3.500 . 5.000 4.425 4.279 4.534 . 0 0 "[ . 1 . 2]" 1
460 1 28 HIS HA 1 29 ARG H 3.200 . 4.500 3.501 3.476 3.542 . 0 0 "[ . 1 . 2]" 1
461 1 28 HIS HA 1 30 LYS H 3.500 . 5.000 4.304 3.961 4.551 . 0 0 "[ . 1 . 2]" 1
462 1 28 HIS HA 1 31 ARG H 3.300 . 4.700 3.789 3.495 4.083 . 0 0 "[ . 1 . 2]" 1
463 1 28 HIS HB2 1 28 HIS HE1 3.600 . 5.200 4.751 4.728 4.783 . 0 0 "[ . 1 . 2]" 1
464 1 28 HIS HB2 1 29 ARG H 2.600 . 6.000 4.082 3.962 4.179 . 0 0 "[ . 1 . 2]" 1
465 1 28 HIS HB3 1 28 HIS HD2 2.700 . 3.600 2.812 2.707 2.872 . 0 0 "[ . 1 . 2]" 1
466 1 28 HIS HB3 1 29 ARG H 2.900 . 4.000 2.818 2.617 2.963 . 0 0 "[ . 1 . 2]" 1
467 1 28 HIS HD2 1 29 ARG H 3.100 . 4.300 3.420 3.200 3.730 . 0 0 "[ . 1 . 2]" 1
468 1 28 HIS HD2 1 29 ARG HA 2.700 . 3.600 3.234 3.045 3.456 . 0 0 "[ . 1 . 2]" 1
469 1 28 HIS HD2 1 32 HIS HD2 3.100 . 4.300 3.160 2.683 3.602 . 0 0 "[ . 1 . 2]" 1
470 1 29 ARG H 1 29 ARG HA 2.600 . 3.500 2.878 2.854 2.895 . 0 0 "[ . 1 . 2]" 1
471 1 29 ARG H 1 29 ARG HB2 2.000 . 2.500 2.208 2.149 2.296 . 0 0 "[ . 1 . 2]" 1
472 1 29 ARG H 1 29 ARG HD2 3.700 . 5.400 5.169 4.996 5.352 . 0 0 "[ . 1 . 2]" 1
473 1 29 ARG H 1 29 ARG HD3 4.000 . 6.000 4.824 4.735 4.864 . 0 0 "[ . 1 . 2]" 1
474 1 29 ARG H 1 29 ARG HE 4.100 . 6.200 5.613 5.219 6.020 . 0 0 "[ . 1 . 2]" 1
475 1 29 ARG H 1 30 LYS H 2.600 . 3.500 2.411 2.316 2.534 . 0 0 "[ . 1 . 2]" 1
476 1 29 ARG H 1 30 LYS QB 3.200 . 4.500 4.119 3.990 4.295 . 0 0 "[ . 1 . 2]" 1
477 1 29 ARG H 1 31 ARG H 3.800 . 5.600 4.045 3.858 4.325 . 0 0 "[ . 1 . 2]" 1
478 1 29 ARG H 1 32 HIS HD2 4.100 . 6.200 4.400 4.244 4.614 . 0 0 "[ . 1 . 2]" 1
479 1 29 ARG HA 1 29 ARG QB 2.200 . 2.800 2.468 2.424 2.491 . 0 0 "[ . 1 . 2]" 1
480 1 29 ARG HA 1 30 LYS H 3.000 . 4.100 3.469 3.369 3.519 . 0 0 "[ . 1 . 2]" 1
481 1 29 ARG HA 1 31 ARG H 3.300 . 4.700 4.159 3.866 4.436 . 0 0 "[ . 1 . 2]" 1
482 1 29 ARG HA 1 32 HIS H 2.900 . 4.000 3.297 3.184 3.521 . 0 0 "[ . 1 . 2]" 1
483 1 29 ARG HA 1 32 HIS HB2 3.900 . 5.800 2.522 2.021 2.835 . 0 0 "[ . 1 . 2]" 1
484 1 29 ARG HA 1 32 HIS HD2 2.200 . 2.800 1.809 1.605 2.210 . 0 0 "[ . 1 . 2]" 1
485 1 29 ARG HB3 1 29 ARG HD3 2.500 . 3.300 2.041 1.975 2.147 . 0 0 "[ . 1 . 2]" 1
486 1 29 ARG HD2 1 29 ARG HE 3.000 . 4.100 2.704 2.465 2.832 . 0 0 "[ . 1 . 2]" 1
487 1 29 ARG HD2 1 29 ARG QG 2.200 . 2.800 2.143 2.135 2.161 . 0 0 "[ . 1 . 2]" 1
488 1 29 ARG HD2 1 32 HIS HD2 3.500 . 5.000 4.774 4.366 5.007 0.007 19 0 "[ . 1 . 2]" 1
489 1 29 ARG HD3 1 29 ARG HE 2.600 . 3.400 2.870 2.771 2.957 . 0 0 "[ . 1 . 2]" 1
490 1 29 ARG HE 1 29 ARG HG2 2.600 . 3.500 2.183 2.076 2.487 . 0 0 "[ . 1 . 2]" 1
491 1 29 ARG HG2 1 32 HIS HD2 2.500 . 3.300 2.211 1.833 2.708 . 0 0 "[ . 1 . 2]" 1
492 1 30 LYS H 1 30 LYS HA 2.600 . 3.500 2.851 2.828 2.883 . 0 0 "[ . 1 . 2]" 1
493 1 30 LYS H 1 30 LYS QB 2.000 . 2.500 2.087 2.046 2.186 . 0 0 "[ . 1 . 2]" 1
494 1 30 LYS H 1 30 LYS QD 2.300 . 3.000 3.033 2.932 3.092 0.092 17 0 "[ . 1 . 2]" 1
495 1 30 LYS H 1 30 LYS QE 3.500 . 5.100 4.620 3.389 5.124 0.024 17 0 "[ . 1 . 2]" 1
496 1 30 LYS H 1 30 LYS QG 2.800 . 3.800 3.628 3.029 3.868 0.068 6 0 "[ . 1 . 2]" 1
497 1 30 LYS H 1 31 ARG H 2.700 . 3.600 2.500 2.314 2.624 . 0 0 "[ . 1 . 2]" 1
498 1 30 LYS HA 1 30 LYS QB 2.000 . 2.500 2.414 2.143 2.537 0.037 3 0 "[ . 1 . 2]" 1
499 1 30 LYS HA 1 30 LYS QD 3.000 . 4.100 3.505 2.695 4.176 0.076 10 0 "[ . 1 . 2]" 1
500 1 30 LYS HA 1 30 LYS QE 3.800 . 5.600 4.542 2.848 5.577 . 0 0 "[ . 1 . 2]" 1
501 1 30 LYS HA 1 30 LYS HG2 2.900 . 3.900 3.321 2.981 3.509 . 0 0 "[ . 1 . 2]" 1
502 1 30 LYS HA 1 33 MET HG2 3.200 . 4.500 3.227 2.062 4.535 0.035 14 0 "[ . 1 . 2]" 1
503 1 30 LYS HB2 1 30 LYS HG2 2.200 . 2.800 2.245 2.061 2.372 . 0 0 "[ . 1 . 2]" 1
504 1 30 LYS QB 1 30 LYS HD3 1.800 . 2.200 2.188 1.875 2.820 0.620 7 1 "[ . + 1 . 2]" 1
505 1 30 LYS QB 1 30 LYS HE3 3.500 . 5.100 3.323 2.302 3.879 . 0 0 "[ . 1 . 2]" 1
506 1 30 LYS QB 1 31 ARG H 2.500 . 3.300 2.895 2.596 3.336 0.036 10 0 "[ . 1 . 2]" 1
507 1 30 LYS QD 1 30 LYS HE2 2.200 . 2.800 2.133 1.980 2.356 . 0 0 "[ . 1 . 2]" 1
508 1 30 LYS QE 1 30 LYS HG3 2.400 . 3.100 2.237 1.957 2.895 . 0 0 "[ . 1 . 2]" 1
509 1 31 ARG H 1 31 ARG HA 2.400 . 3.100 2.857 2.814 2.910 . 0 0 "[ . 1 . 2]" 1
510 1 31 ARG H 1 31 ARG HB2 2.600 . 3.400 2.838 2.092 3.659 0.259 14 0 "[ . 1 . 2]" 1
511 1 31 ARG H 1 31 ARG HG2 3.000 . 4.100 2.955 2.075 3.996 . 0 0 "[ . 1 . 2]" 1
512 1 31 ARG H 1 31 ARG HG3 2.800 . 3.800 3.420 2.244 4.150 0.350 13 0 "[ . 1 . 2]" 1
513 1 31 ARG H 1 32 HIS H 3.100 . 4.300 2.526 2.364 2.641 . 0 0 "[ . 1 . 2]" 1
514 1 31 ARG H 1 32 HIS HB2 3.400 . 4.800 4.338 4.101 4.548 . 0 0 "[ . 1 . 2]" 1
515 1 31 ARG HA 1 31 ARG QB 2.300 . 3.000 2.342 2.165 2.538 . 0 0 "[ . 1 . 2]" 1
516 1 32 HIS H 1 32 HIS HA 2.300 . 2.900 2.853 2.791 2.902 0.002 14 0 "[ . 1 . 2]" 1
517 1 32 HIS H 1 32 HIS HB2 2.400 . 3.100 2.122 2.056 2.218 . 0 0 "[ . 1 . 2]" 1
518 1 32 HIS H 1 32 HIS HB3 2.500 . 3.300 3.408 3.239 3.495 0.195 16 0 "[ . 1 . 2]" 1
519 1 32 HIS H 1 32 HIS HD2 3.700 . 5.400 4.055 3.691 4.673 . 0 0 "[ . 1 . 2]" 1
520 1 32 HIS H 1 33 MET H 2.200 . 2.800 2.487 2.309 2.714 . 0 0 "[ . 1 . 2]" 1
521 1 32 HIS H 1 33 MET QB 3.500 . 5.000 4.800 4.559 5.006 0.006 17 0 "[ . 1 . 2]" 1
522 1 32 HIS H 1 33 MET HG2 3.400 . 4.800 4.158 3.546 4.831 0.031 13 0 "[ . 1 . 2]" 1
523 1 32 HIS HA 1 32 HIS HB3 2.300 . 3.000 2.701 2.584 2.837 . 0 0 "[ . 1 . 2]" 1
524 1 32 HIS HA 1 32 HIS HD2 3.400 . 4.900 4.537 4.419 4.631 . 0 0 "[ . 1 . 2]" 1
525 1 32 HIS HA 1 32 HIS HE1 3.400 . 4.800 4.555 4.406 4.685 . 0 0 "[ . 1 . 2]" 1
526 1 32 HIS HA 1 33 MET H 3.000 . 4.100 3.501 3.239 3.555 . 0 0 "[ . 1 . 2]" 1
527 1 32 HIS HA 1 34 LEU H 3.100 . 4.300 3.963 3.627 4.344 0.044 19 0 "[ . 1 . 2]" 1
528 1 32 HIS HB2 1 32 HIS HD2 2.900 . 4.000 2.657 2.614 2.717 . 0 0 "[ . 1 . 2]" 1
529 1 32 HIS HB2 1 33 MET H 3.300 . 4.600 2.850 2.454 3.855 . 0 0 "[ . 1 . 2]" 1
530 1 32 HIS HB3 1 32 HIS HD2 2.800 . 3.800 3.473 3.371 3.586 . 0 0 "[ . 1 . 2]" 1
531 1 32 HIS HB3 1 33 MET H 3.000 . 4.100 3.225 2.879 3.816 . 0 0 "[ . 1 . 2]" 1
532 1 33 MET H 1 33 MET HA 2.400 . 3.100 2.865 2.825 2.903 . 0 0 "[ . 1 . 2]" 1
533 1 33 MET H 1 33 MET QB 2.200 . 2.800 2.638 2.522 2.805 0.005 2 0 "[ . 1 . 2]" 1
534 1 33 MET H 1 33 MET HG2 2.400 . 3.100 2.340 1.848 3.066 . 0 0 "[ . 1 . 2]" 1
535 1 33 MET H 1 33 MET HG3 2.600 . 3.500 2.781 1.692 3.532 0.032 1 0 "[ . 1 . 2]" 1
536 1 33 MET H 1 34 LEU H 2.500 . 3.300 2.478 2.311 2.707 . 0 0 "[ . 1 . 2]" 1
537 1 33 MET HA 1 33 MET QB 3.400 . 4.800 2.211 2.164 2.314 . 0 0 "[ . 1 . 2]" 1
538 1 33 MET HA 1 33 MET HG2 2.700 . 3.600 3.289 2.576 3.727 0.127 6 0 "[ . 1 . 2]" 1
539 1 33 MET HA 1 33 MET HG3 2.800 . 3.700 3.643 3.239 3.874 0.174 1 0 "[ . 1 . 2]" 1
540 1 33 MET QB 1 33 MET HG2 2.400 . 3.100 2.384 2.279 2.488 . 0 0 "[ . 1 . 2]" 1
541 1 33 MET QB 1 34 LEU H 3.100 . 4.300 3.468 2.686 3.957 . 0 0 "[ . 1 . 2]" 1
542 1 33 MET HG2 1 34 LEU H 3.500 . 5.000 3.767 2.571 4.923 . 0 0 "[ . 1 . 2]" 1
543 1 33 MET HG3 1 34 LEU H 3.000 . 4.200 3.626 2.383 4.270 0.070 20 0 "[ . 1 . 2]" 1
544 1 34 LEU H 1 34 LEU QB 2.400 . 3.100 2.688 2.163 3.177 0.077 8 0 "[ . 1 . 2]" 1
545 1 34 LEU H 1 34 LEU QD 2.900 . 4.000 3.268 2.819 3.932 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU H 1 34 LEU HG 3.000 . 4.100 3.526 2.352 4.205 0.105 11 0 "[ . 1 . 2]" 1
547 1 34 LEU H 1 35 VAL H 2.700 . 3.600 3.048 1.885 3.622 0.022 11 0 "[ . 1 . 2]" 1
548 1 34 LEU HA 1 34 LEU QB 2.300 . 3.000 2.442 2.141 2.531 . 0 0 "[ . 1 . 2]" 1
549 1 34 LEU HA 1 34 LEU QD 3.100 . 4.300 2.818 2.350 3.376 . 0 0 "[ . 1 . 2]" 1
550 1 34 LEU HA 1 34 LEU HG 2.600 . 3.400 2.382 2.053 3.374 . 0 0 "[ . 1 . 2]" 1
551 1 34 LEU HA 1 35 VAL H 2.200 . 2.800 2.563 2.247 3.069 0.269 14 0 "[ . 1 . 2]" 1
552 1 34 LEU HA 1 35 VAL MG2 3.600 . 5.300 4.581 3.767 5.617 0.317 4 0 "[ . 1 . 2]" 1
553 1 34 LEU QB 1 35 VAL H 3.300 . 4.700 3.885 3.776 4.017 . 0 0 "[ . 1 . 2]" 1
554 1 34 LEU HG 1 35 VAL H 3.300 . 4.600 4.575 3.759 4.766 0.166 6 0 "[ . 1 . 2]" 1
555 1 35 VAL H 1 35 VAL HA 2.900 . 3.900 2.920 2.863 2.949 . 0 0 "[ . 1 . 2]" 1
556 1 35 VAL H 1 35 VAL HB 2.900 . 4.000 3.366 2.586 3.767 . 0 0 "[ . 1 . 2]" 1
557 1 35 VAL H 1 35 VAL MG2 3.100 . 4.300 2.747 1.564 4.052 0.336 12 0 "[ . 1 . 2]" 1
558 1 35 VAL HA 1 35 VAL MG1 3.700 . 5.400 2.540 2.059 3.206 . 0 0 "[ . 1 . 2]" 1
559 1 35 VAL HA 1 35 VAL MG2 3.400 . 4.800 2.763 2.176 3.205 . 0 0 "[ . 1 . 2]" 1
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