NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602828 |
2n9o   |
25913 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9o
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 687
_Distance_constraint_stats_list.Viol_count 2060
_Distance_constraint_stats_list.Viol_total 3772.439
_Distance_constraint_stats_list.Viol_max 0.987
_Distance_constraint_stats_list.Viol_rms 0.0551
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0137
_Distance_constraint_stats_list.Viol_average_violations_only 0.0916
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 4.011 0.532 18 1 "[ . 1 . + 2]"
1 3 MET 5.148 0.532 18 1 "[ . 1 . + 2]"
1 4 ALA 2.311 0.345 14 0 "[ . 1 . 2]"
1 5 GLU 2.026 0.191 7 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 4.728 0.654 1 5 "[+ . - 1 * **2]"
1 8 PRO 3.114 0.654 1 5 "[+ . - 1 * **2]"
1 9 HIS 1.833 0.462 6 0 "[ . 1 . 2]"
1 10 PRO 7.568 0.486 20 0 "[ . 1 . 2]"
1 11 GLY 3.666 0.237 15 0 "[ . 1 . 2]"
1 12 ARG 6.228 0.215 3 0 "[ . 1 . 2]"
1 13 TYR 14.416 0.486 20 0 "[ . 1 . 2]"
1 14 PHE 12.100 0.128 10 0 "[ . 1 . 2]"
1 15 CYS 2.473 0.112 12 0 "[ . 1 . 2]"
1 16 HIS 18.451 0.987 11 20 [******-***+*********]
1 17 CYS 2.157 0.225 4 0 "[ . 1 . 2]"
1 18 CYS 1.728 0.225 4 0 "[ . 1 . 2]"
1 19 SER 2.408 0.108 15 0 "[ . 1 . 2]"
1 20 VAL 6.872 0.109 13 0 "[ . 1 . 2]"
1 21 GLU 4.032 0.081 20 0 "[ . 1 . 2]"
1 22 ILE 13.946 0.325 7 0 "[ . 1 . 2]"
1 23 VAL 5.773 0.156 18 0 "[ . 1 . 2]"
1 24 PRO 7.280 0.167 4 0 "[ . 1 . 2]"
1 25 ARG 10.575 0.428 16 0 "[ . 1 . 2]"
1 26 LEU 15.788 0.933 5 15 "[-* *+* **** ******]"
1 27 PRO 18.508 0.933 5 15 "[-* *+* **** ******]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 6.027 0.317 19 0 "[ . 1 . 2]"
1 30 ILE 22.132 0.428 16 0 "[ . 1 . 2]"
1 31 CYS 1.662 0.087 10 0 "[ . 1 . 2]"
1 32 PRO 10.394 0.188 13 0 "[ . 1 . 2]"
1 33 ARG 13.631 0.408 13 0 "[ . 1 . 2]"
1 34 CYS 0.284 0.085 13 0 "[ . 1 . 2]"
1 35 GLU 4.997 0.108 6 0 "[ . 1 . 2]"
1 36 SER 6.292 0.253 10 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 7.338 0.196 10 0 "[ . 1 . 2]"
1 39 ILE 16.512 0.325 7 0 "[ . 1 . 2]"
1 40 GLU 19.918 0.987 11 20 [******-***+*********]
1 41 GLU 5.379 0.137 14 0 "[ . 1 . 2]"
1 42 LEU 9.697 0.130 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER QB 1 3 MET H 2.599 . 3.444 3.367 1.812 3.976 0.532 18 1 "[ . 1 . + 2]" 1
2 1 3 MET HA 1 4 ALA MB 3.284 . 4.632 4.444 3.941 4.977 0.345 14 0 "[ . 1 . 2]" 1
3 1 4 ALA H 1 4 ALA HA 2.808 . 3.794 2.888 2.263 2.951 . 0 0 "[ . 1 . 2]" 1
4 1 4 ALA H 1 4 ALA MB 3.228 . 4.531 2.494 2.297 2.949 . 0 0 "[ . 1 . 2]" 1
5 1 4 ALA H 1 5 GLU H 2.268 . 2.911 2.373 1.844 3.031 0.120 13 0 "[ . 1 . 2]" 1
6 1 4 ALA H 1 5 GLU HA 3.254 . 4.577 4.534 3.906 4.768 0.191 7 0 "[ . 1 . 2]" 1
7 1 4 ALA HA 1 4 ALA MB 2.366 . 3.066 2.131 2.127 2.135 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU HA 2.213 . 2.825 2.685 2.248 2.924 0.099 19 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 5 GLU QB 3.029 . 4.153 2.725 2.197 3.392 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU QB 1 5 GLU HG3 1.903 . 2.355 2.344 2.310 2.394 0.039 1 0 "[ . 1 . 2]" 1
11 1 6 ALA H 1 6 ALA HA 2.374 . 3.079 2.734 2.254 2.950 . 0 0 "[ . 1 . 2]" 1
12 1 6 ALA H 1 6 ALA MB 2.567 . 3.391 2.515 2.218 2.923 . 0 0 "[ . 1 . 2]" 1
13 1 6 ALA HA 1 6 ALA MB 1.949 . 2.424 2.128 2.121 2.133 . 0 0 "[ . 1 . 2]" 1
14 1 7 SER H 1 7 SER HA 2.798 . 3.777 2.762 2.259 2.944 . 0 0 "[ . 1 . 2]" 1
15 1 7 SER H 1 7 SER HB2 2.982 . 4.094 3.045 2.542 3.765 . 0 0 "[ . 1 . 2]" 1
16 1 7 SER H 1 7 SER HB3 2.742 . 3.682 3.449 2.578 4.053 0.371 16 0 "[ . 1 . 2]" 1
17 1 7 SER HA 1 8 PRO QD 2.295 . 2.953 2.441 1.829 3.607 0.654 1 5 "[+ . - 1 * **2]" 1
18 1 8 PRO HA 1 8 PRO HB3 2.411 . 3.138 2.292 2.265 2.319 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HA 1 8 PRO QD 2.903 . 3.956 3.397 3.133 3.534 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO HB2 1 8 PRO QD 3.245 . 4.561 3.176 2.834 3.548 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO HB3 1 8 PRO QD 3.338 . 4.731 3.281 2.854 3.547 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO QD 1 8 PRO HG3 2.467 . 3.163 2.213 2.176 2.248 . 0 0 "[ . 1 . 2]" 1
23 1 9 HIS H 1 9 HIS HA 2.849 . 3.864 2.786 2.237 2.949 . 0 0 "[ . 1 . 2]" 1
24 1 9 HIS H 1 9 HIS HB2 3.000 . 4.125 3.699 2.774 4.089 . 0 0 "[ . 1 . 2]" 1
25 1 9 HIS H 1 9 HIS HB3 2.979 . 4.089 3.182 2.362 3.597 . 0 0 "[ . 1 . 2]" 1
26 1 9 HIS HA 1 9 HIS HB2 2.695 . 3.603 2.438 2.352 2.549 . 0 0 "[ . 1 . 2]" 1
27 1 9 HIS HA 1 9 HIS HB3 2.673 . 3.566 2.566 2.359 3.022 . 0 0 "[ . 1 . 2]" 1
28 1 9 HIS HA 1 10 PRO HD2 2.245 . 2.875 2.618 2.357 2.892 0.017 15 0 "[ . 1 . 2]" 1
29 1 9 HIS HA 1 10 PRO HD3 2.246 . 2.877 1.986 1.712 2.419 . 0 0 "[ . 1 . 2]" 1
30 1 9 HIS HB2 1 10 PRO HD2 2.760 . 3.712 2.916 1.885 4.174 0.462 6 0 "[ . 1 . 2]" 1
31 1 9 HIS HB2 1 10 PRO HD3 3.040 . 4.195 3.622 3.048 3.918 . 0 0 "[ . 1 . 2]" 1
32 1 9 HIS HB3 1 10 PRO HD3 3.160 . 4.408 4.283 3.953 4.535 0.127 8 0 "[ . 1 . 2]" 1
33 1 10 PRO HA 1 10 PRO HB2 2.425 . 3.160 2.826 2.685 2.978 . 0 0 "[ . 1 . 2]" 1
34 1 10 PRO HA 1 10 PRO HB3 2.405 . 3.128 2.285 2.260 2.307 . 0 0 "[ . 1 . 2]" 1
35 1 10 PRO HB2 1 11 GLY H 2.800 . 3.780 3.288 2.311 4.017 0.237 15 0 "[ . 1 . 2]" 1
36 1 10 PRO HB3 1 10 PRO HD3 2.819 . 3.812 3.651 3.066 4.068 0.256 11 0 "[ . 1 . 2]" 1
37 1 10 PRO HB3 1 11 GLY H 2.879 . 3.915 3.591 3.019 3.908 . 0 0 "[ . 1 . 2]" 1
38 1 10 PRO HB3 1 13 TYR QE 3.732 . 5.473 3.364 1.926 5.959 0.486 20 0 "[ . 1 . 2]" 1
39 1 10 PRO HD2 1 10 PRO HG2 2.239 . 2.866 2.285 2.249 2.328 . 0 0 "[ . 1 . 2]" 1
40 1 10 PRO HD3 1 10 PRO HG2 2.172 . 2.762 2.801 2.675 2.960 0.198 1 0 "[ . 1 . 2]" 1
41 1 10 PRO HG2 1 13 TYR QE 2.946 . 4.031 3.693 2.342 4.144 0.113 15 0 "[ . 1 . 2]" 1
42 1 11 GLY H 1 11 GLY HA2 2.230 . 2.852 2.882 2.616 2.935 0.083 4 0 "[ . 1 . 2]" 1
43 1 11 GLY H 1 11 GLY HA3 2.311 . 2.979 2.686 2.580 2.933 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLY H 1 12 ARG H 2.732 . 3.665 1.991 1.756 2.296 0.043 9 0 "[ . 1 . 2]" 1
45 1 11 GLY H 1 12 ARG HD2 3.755 . 5.518 5.527 5.383 5.607 0.089 3 0 "[ . 1 . 2]" 1
46 1 11 GLY H 1 12 ARG HG2 2.622 . 3.481 3.417 2.975 3.696 0.215 3 0 "[ . 1 . 2]" 1
47 1 11 GLY H 1 13 TYR QD 3.559 . 5.142 3.674 3.361 4.185 . 0 0 "[ . 1 . 2]" 1
48 1 11 GLY H 1 13 TYR QE 3.104 . 4.309 3.511 3.045 4.245 . 0 0 "[ . 1 . 2]" 1
49 1 11 GLY HA2 1 12 ARG H 2.633 . 3.500 3.518 3.483 3.544 0.044 12 0 "[ . 1 . 2]" 1
50 1 11 GLY HA2 1 13 TYR QD 3.154 . 4.397 3.473 3.134 3.815 . 0 0 "[ . 1 . 2]" 1
51 1 11 GLY HA2 1 13 TYR QE 3.264 . 4.596 3.697 3.040 4.216 . 0 0 "[ . 1 . 2]" 1
52 1 11 GLY HA3 1 12 ARG H 2.328 . 3.005 2.752 2.556 2.912 . 0 0 "[ . 1 . 2]" 1
53 1 11 GLY HA3 1 13 TYR QD 3.681 . 5.375 4.546 4.329 4.863 . 0 0 "[ . 1 . 2]" 1
54 1 12 ARG H 1 12 ARG HB2 2.790 . 3.763 3.580 3.556 3.598 . 0 0 "[ . 1 . 2]" 1
55 1 12 ARG H 1 12 ARG HB3 2.169 . 2.757 2.789 2.671 2.880 0.123 15 0 "[ . 1 . 2]" 1
56 1 12 ARG H 1 12 ARG HD2 4.155 . 6.313 4.507 4.399 4.643 . 0 0 "[ . 1 . 2]" 1
57 1 12 ARG H 1 12 ARG HD3 4.101 . 6.203 4.518 4.435 4.559 . 0 0 "[ . 1 . 2]" 1
58 1 12 ARG H 1 12 ARG HG2 2.471 . 3.235 2.069 1.940 2.166 . 0 0 "[ . 1 . 2]" 1
59 1 12 ARG H 1 12 ARG HG3 2.192 . 2.793 2.608 2.403 2.871 0.078 1 0 "[ . 1 . 2]" 1
60 1 12 ARG H 1 13 TYR QD 4.232 . 6.471 3.930 3.748 4.097 . 0 0 "[ . 1 . 2]" 1
61 1 12 ARG HA 1 12 ARG HB2 2.487 . 3.260 2.520 2.499 2.543 . 0 0 "[ . 1 . 2]" 1
62 1 12 ARG HA 1 12 ARG HB3 2.385 . 3.096 2.379 2.356 2.405 . 0 0 "[ . 1 . 2]" 1
63 1 12 ARG HA 1 13 TYR H 2.438 . 3.181 2.139 2.118 2.156 . 0 0 "[ . 1 . 2]" 1
64 1 12 ARG HB2 1 12 ARG HD2 2.791 . 3.765 3.299 3.140 3.442 . 0 0 "[ . 1 . 2]" 1
65 1 12 ARG HB2 1 12 ARG HD3 2.564 . 3.386 2.129 2.060 2.240 . 0 0 "[ . 1 . 2]" 1
66 1 12 ARG HB2 1 12 ARG HE 3.063 . 4.236 3.766 3.420 4.214 . 0 0 "[ . 1 . 2]" 1
67 1 12 ARG HB2 1 13 TYR H 2.766 . 3.722 3.705 3.593 3.771 0.049 8 0 "[ . 1 . 2]" 1
68 1 12 ARG HB2 1 42 LEU MD1 2.599 . 3.443 2.350 2.003 2.657 . 0 0 "[ . 1 . 2]" 1
69 1 12 ARG HB3 1 12 ARG HD3 2.183 . 2.779 2.805 2.612 2.968 0.189 3 0 "[ . 1 . 2]" 1
70 1 12 ARG HB3 1 12 ARG HE 3.426 . 4.894 3.015 2.523 3.496 . 0 0 "[ . 1 . 2]" 1
71 1 12 ARG HD2 1 12 ARG HE 2.825 . 3.823 2.887 2.658 2.951 . 0 0 "[ . 1 . 2]" 1
72 1 12 ARG HD2 1 12 ARG HG2 2.348 . 3.037 2.722 2.624 2.831 . 0 0 "[ . 1 . 2]" 1
73 1 12 ARG HD2 1 12 ARG HG3 2.334 . 3.015 2.242 2.210 2.287 . 0 0 "[ . 1 . 2]" 1
74 1 12 ARG HD2 1 42 LEU MD1 2.861 . 3.884 3.720 3.440 3.947 0.063 14 0 "[ . 1 . 2]" 1
75 1 12 ARG HD2 1 42 LEU HG 3.306 . 4.672 4.713 4.613 4.802 0.130 10 0 "[ . 1 . 2]" 1
76 1 12 ARG HD3 1 12 ARG HE 2.843 . 3.853 2.595 2.360 2.900 . 0 0 "[ . 1 . 2]" 1
77 1 12 ARG HD3 1 12 ARG HG2 2.235 . 2.859 2.905 2.834 2.950 0.091 5 0 "[ . 1 . 2]" 1
78 1 12 ARG HD3 1 12 ARG HG3 2.232 . 2.855 2.723 2.611 2.838 . 0 0 "[ . 1 . 2]" 1
79 1 12 ARG HD3 1 42 LEU MD1 2.969 . 4.071 2.913 2.517 3.265 . 0 0 "[ . 1 . 2]" 1
80 1 12 ARG HD3 1 42 LEU HG 3.486 . 5.005 4.596 4.095 5.046 0.041 15 0 "[ . 1 . 2]" 1
81 1 12 ARG HE 1 12 ARG HG2 2.870 . 3.899 2.419 2.089 2.814 . 0 0 "[ . 1 . 2]" 1
82 1 12 ARG HE 1 12 ARG HG3 2.981 . 4.092 3.625 3.298 3.870 . 0 0 "[ . 1 . 2]" 1
83 1 13 TYR H 1 13 TYR HA 2.953 . 4.043 2.945 2.938 2.949 . 0 0 "[ . 1 . 2]" 1
84 1 13 TYR H 1 13 TYR HB2 2.492 . 3.269 2.482 2.424 2.574 . 0 0 "[ . 1 . 2]" 1
85 1 13 TYR H 1 13 TYR HB3 2.860 . 3.883 3.624 3.593 3.660 . 0 0 "[ . 1 . 2]" 1
86 1 13 TYR H 1 13 TYR QD 2.444 . 3.190 3.087 2.987 3.227 0.037 14 0 "[ . 1 . 2]" 1
87 1 13 TYR H 1 14 PHE H 3.387 . 4.821 4.451 4.419 4.477 . 0 0 "[ . 1 . 2]" 1
88 1 13 TYR H 1 22 ILE H 2.377 . 3.083 2.983 2.847 3.110 0.027 5 0 "[ . 1 . 2]" 1
89 1 13 TYR H 1 22 ILE MD 3.182 . 4.447 4.295 4.199 4.354 . 0 0 "[ . 1 . 2]" 1
90 1 13 TYR H 1 23 VAL HA 3.282 . 4.629 3.426 3.314 3.538 . 0 0 "[ . 1 . 2]" 1
91 1 13 TYR H 1 42 LEU MD1 2.911 . 3.971 3.997 3.861 4.051 0.080 10 0 "[ . 1 . 2]" 1
92 1 13 TYR HA 1 13 TYR HB2 2.646 . 3.521 2.988 2.982 2.992 . 0 0 "[ . 1 . 2]" 1
93 1 13 TYR HA 1 13 TYR HB3 2.500 . 3.282 2.632 2.620 2.648 . 0 0 "[ . 1 . 2]" 1
94 1 13 TYR HA 1 13 TYR QD 2.414 . 3.143 3.052 3.031 3.071 . 0 0 "[ . 1 . 2]" 1
95 1 13 TYR HA 1 14 PHE H 2.104 . 2.657 2.375 2.337 2.415 . 0 0 "[ . 1 . 2]" 1
96 1 13 TYR HA 1 14 PHE HB2 3.066 . 4.241 4.145 4.093 4.224 . 0 0 "[ . 1 . 2]" 1
97 1 13 TYR HA 1 22 ILE MD 3.377 . 4.802 4.839 4.823 4.857 0.055 7 0 "[ . 1 . 2]" 1
98 1 13 TYR HA 1 41 GLU HA 2.319 . 2.991 2.663 2.558 2.793 . 0 0 "[ . 1 . 2]" 1
99 1 13 TYR HA 1 42 LEU H 2.550 . 3.363 2.711 2.514 2.857 . 0 0 "[ . 1 . 2]" 1
100 1 13 TYR HA 1 42 LEU HB2 3.323 . 4.703 4.129 3.922 4.350 . 0 0 "[ . 1 . 2]" 1
101 1 13 TYR HA 1 42 LEU HG 2.317 . 2.988 2.645 2.522 2.757 . 0 0 "[ . 1 . 2]" 1
102 1 13 TYR HB2 1 13 TYR QD 2.131 . 2.699 2.582 2.546 2.621 . 0 0 "[ . 1 . 2]" 1
103 1 13 TYR HB2 1 14 PHE H 2.907 . 3.963 3.811 3.746 3.886 . 0 0 "[ . 1 . 2]" 1
104 1 13 TYR HB2 1 22 ILE H 3.470 . 4.975 3.695 3.590 3.801 . 0 0 "[ . 1 . 2]" 1
105 1 13 TYR HB2 1 22 ILE MD 2.670 . 3.561 2.632 2.596 2.660 . 0 0 "[ . 1 . 2]" 1
106 1 13 TYR HB2 1 22 ILE HG12 2.766 . 3.722 3.779 3.756 3.803 0.081 14 0 "[ . 1 . 2]" 1
107 1 13 TYR HB2 1 23 VAL HA 3.446 . 4.930 3.569 3.424 3.691 . 0 0 "[ . 1 . 2]" 1
108 1 13 TYR HB2 1 24 PRO HD2 2.980 . 4.090 3.833 3.756 3.912 . 0 0 "[ . 1 . 2]" 1
109 1 13 TYR HB2 1 24 PRO HD3 2.710 . 3.628 2.270 2.211 2.331 . 0 0 "[ . 1 . 2]" 1
110 1 13 TYR HB2 1 39 ILE HB 3.833 . 5.669 3.611 3.512 3.699 . 0 0 "[ . 1 . 2]" 1
111 1 13 TYR HB2 1 39 ILE MD 3.089 . 4.282 3.441 3.317 3.559 . 0 0 "[ . 1 . 2]" 1
112 1 13 TYR HB2 1 39 ILE MG 2.948 . 4.034 4.069 4.012 4.111 0.077 1 0 "[ . 1 . 2]" 1
113 1 13 TYR HB3 1 13 TYR QD 2.108 . 2.663 2.262 2.246 2.273 . 0 0 "[ . 1 . 2]" 1
114 1 13 TYR HB3 1 14 PHE H 2.536 . 3.340 2.431 2.344 2.542 . 0 0 "[ . 1 . 2]" 1
115 1 13 TYR HB3 1 22 ILE MD 2.708 . 3.624 2.680 2.637 2.718 . 0 0 "[ . 1 . 2]" 1
116 1 13 TYR HB3 1 22 ILE HG12 2.831 . 3.833 3.596 3.526 3.683 . 0 0 "[ . 1 . 2]" 1
117 1 13 TYR HB3 1 24 PRO HD3 3.166 . 4.419 3.941 3.851 4.024 . 0 0 "[ . 1 . 2]" 1
118 1 13 TYR HB3 1 39 ILE HB 2.960 . 4.055 2.114 2.042 2.173 . 0 0 "[ . 1 . 2]" 1
119 1 13 TYR HB3 1 39 ILE MD 2.988 . 4.104 3.148 3.043 3.259 . 0 0 "[ . 1 . 2]" 1
120 1 13 TYR HB3 1 39 ILE MG 2.516 . 3.307 3.294 3.237 3.334 0.027 3 0 "[ . 1 . 2]" 1
121 1 13 TYR HB3 1 40 GLU H 3.417 . 4.876 3.379 3.248 3.530 . 0 0 "[ . 1 . 2]" 1
122 1 13 TYR HB3 1 42 LEU H 4.014 . 6.028 5.209 5.023 5.378 . 0 0 "[ . 1 . 2]" 1
123 1 13 TYR QD 1 14 PHE H 2.959 . 4.053 3.368 3.260 3.456 . 0 0 "[ . 1 . 2]" 1
124 1 13 TYR QD 1 22 ILE H 3.873 . 5.748 5.341 5.269 5.421 . 0 0 "[ . 1 . 2]" 1
125 1 13 TYR QD 1 22 ILE MD 2.822 . 3.817 3.678 3.620 3.718 . 0 0 "[ . 1 . 2]" 1
126 1 13 TYR QD 1 23 VAL HA 2.771 . 3.731 3.848 3.822 3.887 0.156 18 0 "[ . 1 . 2]" 1
127 1 13 TYR QD 1 24 PRO HB2 3.785 . 5.576 4.827 4.725 4.941 . 0 0 "[ . 1 . 2]" 1
128 1 13 TYR QD 1 24 PRO HB3 3.644 . 5.304 4.744 4.687 4.800 . 0 0 "[ . 1 . 2]" 1
129 1 13 TYR QD 1 24 PRO HD2 2.592 . 3.432 3.087 2.976 3.214 . 0 0 "[ . 1 . 2]" 1
130 1 13 TYR QD 1 24 PRO HD3 2.367 . 3.067 2.630 2.575 2.718 . 0 0 "[ . 1 . 2]" 1
131 1 13 TYR QD 1 24 PRO HG2 2.344 . 3.031 2.905 2.759 3.053 0.022 1 0 "[ . 1 . 2]" 1
132 1 13 TYR QD 1 24 PRO HG3 3.061 . 4.232 3.205 3.172 3.243 . 0 0 "[ . 1 . 2]" 1
133 1 13 TYR QD 1 39 ILE H 3.584 . 5.190 4.589 4.480 4.678 . 0 0 "[ . 1 . 2]" 1
134 1 13 TYR QD 1 39 ILE HB 2.476 . 3.242 2.054 2.016 2.092 . 0 0 "[ . 1 . 2]" 1
135 1 13 TYR QD 1 39 ILE MD 2.532 . 3.333 2.629 2.535 2.743 . 0 0 "[ . 1 . 2]" 1
136 1 13 TYR QD 1 39 ILE HG12 2.957 . 4.050 3.518 3.495 3.536 . 0 0 "[ . 1 . 2]" 1
137 1 13 TYR QD 1 39 ILE HG13 2.586 . 3.422 1.919 1.905 1.938 . 0 0 "[ . 1 . 2]" 1
138 1 13 TYR QD 1 40 GLU H 2.726 . 3.655 3.223 3.146 3.315 . 0 0 "[ . 1 . 2]" 1
139 1 13 TYR QD 1 40 GLU HA 3.002 . 4.128 3.775 3.672 3.919 . 0 0 "[ . 1 . 2]" 1
140 1 13 TYR QD 1 41 GLU H 3.010 . 4.143 3.798 3.614 3.999 . 0 0 "[ . 1 . 2]" 1
141 1 13 TYR QD 1 41 GLU HA 2.694 . 3.601 3.308 3.252 3.362 . 0 0 "[ . 1 . 2]" 1
142 1 13 TYR QD 1 41 GLU HB2 2.874 . 3.907 3.929 3.869 3.983 0.076 15 0 "[ . 1 . 2]" 1
143 1 13 TYR QD 1 41 GLU HG2 2.787 . 3.758 3.806 3.704 3.895 0.137 14 0 "[ . 1 . 2]" 1
144 1 13 TYR QD 1 42 LEU H 3.185 . 4.453 4.319 4.209 4.432 . 0 0 "[ . 1 . 2]" 1
145 1 13 TYR QE 1 24 PRO HB2 3.485 . 5.003 4.825 4.717 4.945 . 0 0 "[ . 1 . 2]" 1
146 1 13 TYR QE 1 24 PRO HD2 2.868 . 3.896 3.917 3.841 3.997 0.101 4 0 "[ . 1 . 2]" 1
147 1 13 TYR QE 1 24 PRO HD3 3.212 . 4.502 4.374 4.323 4.447 . 0 0 "[ . 1 . 2]" 1
148 1 13 TYR QE 1 24 PRO HG2 2.528 . 3.327 3.161 3.078 3.224 . 0 0 "[ . 1 . 2]" 1
149 1 13 TYR QE 1 24 PRO HG3 3.068 . 4.245 4.219 4.140 4.282 0.037 11 0 "[ . 1 . 2]" 1
150 1 13 TYR QE 1 39 ILE HB 3.027 . 4.172 4.208 4.181 4.230 0.058 12 0 "[ . 1 . 2]" 1
151 1 13 TYR QE 1 39 ILE MD 2.732 . 3.665 3.210 3.129 3.342 . 0 0 "[ . 1 . 2]" 1
152 1 13 TYR QE 1 39 ILE HG12 3.330 . 4.716 4.040 4.024 4.053 . 0 0 "[ . 1 . 2]" 1
153 1 13 TYR QE 1 39 ILE HG13 2.876 . 3.910 2.488 2.466 2.516 . 0 0 "[ . 1 . 2]" 1
154 1 13 TYR QE 1 40 GLU H 3.536 . 5.099 5.127 5.050 5.184 0.085 9 0 "[ . 1 . 2]" 1
155 1 13 TYR QE 1 40 GLU HA 3.255 . 4.580 4.282 4.090 4.448 . 0 0 "[ . 1 . 2]" 1
156 1 13 TYR QE 1 41 GLU H 3.116 . 4.330 3.551 3.373 3.800 . 0 0 "[ . 1 . 2]" 1
157 1 13 TYR QE 1 41 GLU HA 2.995 . 4.116 3.557 3.464 3.646 . 0 0 "[ . 1 . 2]" 1
158 1 13 TYR QE 1 41 GLU HB2 2.566 . 3.389 2.707 2.666 2.788 . 0 0 "[ . 1 . 2]" 1
159 1 13 TYR QE 1 41 GLU HB3 3.013 . 4.148 4.238 4.211 4.266 0.118 13 0 "[ . 1 . 2]" 1
160 1 13 TYR QE 1 41 GLU HG2 2.853 . 3.871 2.877 2.738 3.125 . 0 0 "[ . 1 . 2]" 1
161 1 13 TYR QE 1 42 LEU H 3.457 . 4.951 5.010 4.939 5.081 0.130 14 0 "[ . 1 . 2]" 1
162 1 14 PHE H 1 14 PHE HA 2.778 . 3.743 2.937 2.933 2.940 . 0 0 "[ . 1 . 2]" 1
163 1 14 PHE H 1 14 PHE HB2 2.261 . 2.900 2.914 2.886 2.941 0.041 16 0 "[ . 1 . 2]" 1
164 1 14 PHE H 1 14 PHE QD 3.138 . 4.369 4.351 4.335 4.363 . 0 0 "[ . 1 . 2]" 1
165 1 14 PHE H 1 15 CYS H 3.797 . 5.599 4.105 4.080 4.145 . 0 0 "[ . 1 . 2]" 1
166 1 14 PHE H 1 22 ILE MD 3.399 . 4.843 4.491 4.418 4.637 . 0 0 "[ . 1 . 2]" 1
167 1 14 PHE H 1 22 ILE HG12 3.791 . 5.588 4.603 4.503 4.799 . 0 0 "[ . 1 . 2]" 1
168 1 14 PHE H 1 39 ILE HB 3.491 . 5.014 3.262 3.147 3.384 . 0 0 "[ . 1 . 2]" 1
169 1 14 PHE H 1 39 ILE MG 3.233 . 4.540 4.286 4.199 4.396 . 0 0 "[ . 1 . 2]" 1
170 1 14 PHE H 1 40 GLU H 2.529 . 3.329 2.173 2.121 2.269 . 0 0 "[ . 1 . 2]" 1
171 1 14 PHE H 1 40 GLU QB 3.290 . 4.643 3.046 2.884 3.209 . 0 0 "[ . 1 . 2]" 1
172 1 14 PHE H 1 41 GLU HA 3.132 . 4.358 4.094 3.985 4.207 . 0 0 "[ . 1 . 2]" 1
173 1 14 PHE H 1 42 LEU H 3.385 . 4.817 4.404 4.130 4.538 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE H 1 42 LEU MD1 3.279 . 4.623 4.048 3.874 4.332 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE H 1 42 LEU MD2 3.229 . 4.532 3.730 3.524 3.889 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE H 1 42 LEU HG 3.061 . 4.232 3.351 3.184 3.564 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE HA 1 14 PHE HB2 2.156 . 2.737 2.570 2.553 2.580 . 0 0 "[ . 1 . 2]" 1
178 1 14 PHE HA 1 14 PHE QD 2.292 . 2.948 2.823 2.795 2.868 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE HA 1 14 PHE QE 3.626 . 5.270 4.480 4.456 4.504 . 0 0 "[ . 1 . 2]" 1
180 1 14 PHE HA 1 15 CYS H 2.035 . 2.553 2.132 2.121 2.146 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE HA 1 21 GLU H 3.264 . 4.596 4.584 4.521 4.643 0.047 15 0 "[ . 1 . 2]" 1
182 1 14 PHE HA 1 21 GLU HB2 3.440 . 4.919 4.497 4.166 4.800 . 0 0 "[ . 1 . 2]" 1
183 1 14 PHE HA 1 22 ILE H 2.513 . 3.302 3.008 2.912 3.128 . 0 0 "[ . 1 . 2]" 1
184 1 14 PHE HA 1 22 ILE HG12 2.911 . 3.970 3.540 3.415 3.672 . 0 0 "[ . 1 . 2]" 1
185 1 14 PHE HA 1 22 ILE MG 3.144 . 4.379 4.046 3.934 4.177 . 0 0 "[ . 1 . 2]" 1
186 1 14 PHE HB2 1 14 PHE QD 1.853 . 2.282 2.369 2.352 2.385 0.103 17 0 "[ . 1 . 2]" 1
187 1 14 PHE HB2 1 14 PHE QE 3.185 . 4.453 4.384 4.377 4.393 . 0 0 "[ . 1 . 2]" 1
188 1 14 PHE HB2 1 21 GLU HA 2.735 . 3.670 3.718 3.693 3.751 0.081 20 0 "[ . 1 . 2]" 1
189 1 14 PHE HB2 1 40 GLU H 3.043 . 4.201 4.276 4.241 4.316 0.115 17 0 "[ . 1 . 2]" 1
190 1 14 PHE HB2 1 40 GLU QB 3.080 . 4.266 3.474 3.357 3.626 . 0 0 "[ . 1 . 2]" 1
191 1 14 PHE HB2 1 42 LEU MD1 2.182 . 2.777 2.337 2.046 2.765 . 0 0 "[ . 1 . 2]" 1
192 1 14 PHE HB2 1 42 LEU MD2 2.270 . 2.914 2.068 1.965 2.172 . 0 0 "[ . 1 . 2]" 1
193 1 14 PHE HB2 1 42 LEU HG 2.506 . 3.291 2.987 2.873 3.187 . 0 0 "[ . 1 . 2]" 1
194 1 14 PHE QD 1 15 CYS H 2.851 . 3.867 3.893 3.852 3.914 0.047 3 0 "[ . 1 . 2]" 1
195 1 14 PHE QD 1 16 HIS H 3.668 . 5.350 4.871 4.729 5.001 . 0 0 "[ . 1 . 2]" 1
196 1 14 PHE QD 1 16 HIS HA 2.879 . 3.915 3.828 3.743 3.935 0.020 19 0 "[ . 1 . 2]" 1
197 1 14 PHE QD 1 16 HIS HD2 2.640 . 3.512 3.221 2.500 3.569 0.057 9 0 "[ . 1 . 2]" 1
198 1 14 PHE QD 1 19 SER HA 3.353 . 4.758 3.706 3.605 3.752 . 0 0 "[ . 1 . 2]" 1
199 1 14 PHE QD 1 20 VAL HA 3.055 . 4.221 4.259 4.219 4.291 0.070 17 0 "[ . 1 . 2]" 1
200 1 14 PHE QD 1 21 GLU H 3.109 . 4.318 3.847 3.802 3.904 . 0 0 "[ . 1 . 2]" 1
201 1 14 PHE QD 1 21 GLU HA 2.385 . 3.096 2.621 2.509 2.802 . 0 0 "[ . 1 . 2]" 1
202 1 14 PHE QD 1 21 GLU HB2 2.664 . 3.551 2.824 2.417 3.202 . 0 0 "[ . 1 . 2]" 1
203 1 14 PHE QD 1 21 GLU QG 2.720 . 3.591 2.720 2.325 3.275 . 0 0 "[ . 1 . 2]" 1
204 1 14 PHE QD 1 22 ILE H 3.332 . 4.720 4.522 4.409 4.704 . 0 0 "[ . 1 . 2]" 1
205 1 14 PHE QD 1 40 GLU H 3.488 . 5.009 4.505 4.387 4.613 . 0 0 "[ . 1 . 2]" 1
206 1 14 PHE QD 1 40 GLU QB 2.789 . 3.761 3.787 3.733 3.819 0.058 18 0 "[ . 1 . 2]" 1
207 1 14 PHE QD 1 42 LEU MD1 2.413 . 3.141 2.648 2.504 2.899 . 0 0 "[ . 1 . 2]" 1
208 1 14 PHE QD 1 42 LEU MD2 2.664 . 3.551 3.461 3.369 3.558 0.007 15 0 "[ . 1 . 2]" 1
209 1 14 PHE QD 1 42 LEU HG 3.215 . 4.507 4.577 4.552 4.635 0.128 10 0 "[ . 1 . 2]" 1
210 1 14 PHE QE 1 19 SER HA 2.066 . 2.600 2.554 2.438 2.625 0.025 13 0 "[ . 1 . 2]" 1
211 1 14 PHE QE 1 19 SER HB2 2.400 . 3.120 3.203 3.168 3.228 0.108 15 0 "[ . 1 . 2]" 1
212 1 14 PHE QE 1 19 SER HB3 2.873 . 3.905 3.940 3.893 3.976 0.071 17 0 "[ . 1 . 2]" 1
213 1 14 PHE QE 1 20 VAL H 3.055 . 4.222 4.133 4.038 4.242 0.020 6 0 "[ . 1 . 2]" 1
214 1 14 PHE QE 1 20 VAL HA 2.317 . 2.988 3.038 3.010 3.083 0.095 7 0 "[ . 1 . 2]" 1
215 1 14 PHE QE 1 21 GLU H 3.145 . 4.382 3.420 3.259 3.631 . 0 0 "[ . 1 . 2]" 1
216 1 14 PHE QE 1 21 GLU HA 3.738 . 5.485 4.093 3.962 4.300 . 0 0 "[ . 1 . 2]" 1
217 1 14 PHE QE 1 21 GLU HB2 3.089 . 4.281 3.233 3.013 3.465 . 0 0 "[ . 1 . 2]" 1
218 1 14 PHE QE 1 21 GLU QG 3.701 . 5.413 4.272 3.957 4.751 . 0 0 "[ . 1 . 2]" 1
219 1 14 PHE QE 1 42 LEU MD1 3.314 . 4.687 4.491 4.371 4.672 . 0 0 "[ . 1 . 2]" 1
220 1 14 PHE QE 1 42 LEU MD2 3.448 . 4.934 4.954 4.863 4.991 0.057 15 0 "[ . 1 . 2]" 1
221 1 14 PHE HZ 1 20 VAL MG1 3.336 . 4.727 4.607 4.504 4.782 0.055 6 0 "[ . 1 . 2]" 1
222 1 15 CYS H 1 15 CYS HA 2.707 . 3.623 2.872 2.863 2.885 . 0 0 "[ . 1 . 2]" 1
223 1 15 CYS H 1 15 CYS HB2 2.275 . 2.922 2.781 2.748 2.836 . 0 0 "[ . 1 . 2]" 1
224 1 15 CYS H 1 15 CYS HB3 2.362 . 3.060 2.369 2.328 2.406 . 0 0 "[ . 1 . 2]" 1
225 1 15 CYS H 1 20 VAL H 2.521 . 3.315 3.191 3.052 3.253 . 0 0 "[ . 1 . 2]" 1
226 1 15 CYS H 1 20 VAL HA 3.561 . 5.146 4.938 4.877 4.998 . 0 0 "[ . 1 . 2]" 1
227 1 15 CYS H 1 21 GLU HA 2.752 . 3.699 3.524 3.389 3.694 . 0 0 "[ . 1 . 2]" 1
228 1 15 CYS H 1 22 ILE H 3.043 . 4.200 3.852 3.728 3.965 . 0 0 "[ . 1 . 2]" 1
229 1 15 CYS H 1 22 ILE MD 2.994 . 4.114 4.014 3.859 4.124 0.010 6 0 "[ . 1 . 2]" 1
230 1 15 CYS H 1 22 ILE HG12 2.746 . 3.689 2.634 2.470 2.755 . 0 0 "[ . 1 . 2]" 1
231 1 15 CYS H 1 22 ILE MG 2.964 . 4.062 3.172 3.014 3.328 . 0 0 "[ . 1 . 2]" 1
232 1 15 CYS H 1 39 ILE MG 3.052 . 4.216 3.465 3.414 3.525 . 0 0 "[ . 1 . 2]" 1
233 1 15 CYS HA 1 15 CYS HB2 2.579 . 3.411 2.396 2.377 2.412 . 0 0 "[ . 1 . 2]" 1
234 1 15 CYS HA 1 15 CYS HB3 2.530 . 3.330 3.017 3.012 3.021 . 0 0 "[ . 1 . 2]" 1
235 1 15 CYS HA 1 16 HIS H 2.050 . 2.575 2.148 2.121 2.168 . 0 0 "[ . 1 . 2]" 1
236 1 15 CYS HA 1 17 CYS H 3.507 . 5.044 3.688 3.570 3.842 . 0 0 "[ . 1 . 2]" 1
237 1 15 CYS HA 1 39 ILE HA 2.543 . 3.351 2.037 1.961 2.134 . 0 0 "[ . 1 . 2]" 1
238 1 15 CYS HA 1 39 ILE MD 3.460 . 4.957 4.801 4.754 4.850 . 0 0 "[ . 1 . 2]" 1
239 1 15 CYS HA 1 39 ILE MG 2.161 . 2.745 1.942 1.909 1.984 . 0 0 "[ . 1 . 2]" 1
240 1 15 CYS HA 1 40 GLU H 3.054 . 4.220 3.577 3.468 3.683 . 0 0 "[ . 1 . 2]" 1
241 1 15 CYS HB2 1 18 CYS H 3.143 . 4.378 4.026 3.979 4.090 . 0 0 "[ . 1 . 2]" 1
242 1 15 CYS HB2 1 22 ILE MD 2.361 . 3.058 2.859 2.629 2.950 . 0 0 "[ . 1 . 2]" 1
243 1 15 CYS HB2 1 22 ILE HG12 2.793 . 3.768 2.557 2.473 2.662 . 0 0 "[ . 1 . 2]" 1
244 1 15 CYS HB2 1 22 ILE MG 2.733 . 3.666 2.946 2.800 3.122 . 0 0 "[ . 1 . 2]" 1
245 1 15 CYS HB2 1 39 ILE MG 2.329 . 3.007 2.092 2.064 2.127 . 0 0 "[ . 1 . 2]" 1
246 1 15 CYS HB3 1 18 CYS H 3.172 . 4.429 2.970 2.897 3.039 . 0 0 "[ . 1 . 2]" 1
247 1 15 CYS HB3 1 20 VAL H 3.138 . 4.369 2.897 2.817 2.980 . 0 0 "[ . 1 . 2]" 1
248 1 15 CYS HB3 1 22 ILE HG12 2.681 . 3.580 3.325 3.186 3.407 . 0 0 "[ . 1 . 2]" 1
249 1 15 CYS HB3 1 22 ILE MG 2.691 . 3.596 2.999 2.850 3.158 . 0 0 "[ . 1 . 2]" 1
250 1 15 CYS HB3 1 39 ILE MG 2.583 . 3.417 3.513 3.487 3.529 0.112 12 0 "[ . 1 . 2]" 1
251 1 16 HIS H 1 16 HIS HA 2.661 . 3.546 2.883 2.853 2.904 . 0 0 "[ . 1 . 2]" 1
252 1 16 HIS H 1 16 HIS HB2 2.534 . 3.337 2.200 2.173 2.236 . 0 0 "[ . 1 . 2]" 1
253 1 16 HIS H 1 16 HIS HB3 2.660 . 3.545 3.497 3.474 3.531 . 0 0 "[ . 1 . 2]" 1
254 1 16 HIS H 1 16 HIS HD2 2.749 . 3.694 3.056 2.915 3.390 . 0 0 "[ . 1 . 2]" 1
255 1 16 HIS H 1 17 CYS H 2.464 . 3.223 2.376 2.284 2.504 . 0 0 "[ . 1 . 2]" 1
256 1 16 HIS H 1 19 SER H 3.269 . 4.605 4.442 4.329 4.580 . 0 0 "[ . 1 . 2]" 1
257 1 16 HIS H 1 38 PHE HA 3.993 . 5.986 4.642 4.529 4.768 . 0 0 "[ . 1 . 2]" 1
258 1 16 HIS H 1 38 PHE HB3 3.378 . 4.804 3.105 3.005 3.255 . 0 0 "[ . 1 . 2]" 1
259 1 16 HIS H 1 38 PHE QD 3.764 . 5.535 4.883 4.821 4.983 . 0 0 "[ . 1 . 2]" 1
260 1 16 HIS H 1 39 ILE HA 2.626 . 3.488 2.867 2.679 3.007 . 0 0 "[ . 1 . 2]" 1
261 1 16 HIS H 1 39 ILE HB 3.736 . 5.481 5.118 4.997 5.228 . 0 0 "[ . 1 . 2]" 1
262 1 16 HIS H 1 39 ILE MG 2.898 . 3.948 3.452 3.420 3.486 . 0 0 "[ . 1 . 2]" 1
263 1 16 HIS HA 1 16 HIS HB2 2.570 . 3.396 2.980 2.966 2.996 . 0 0 "[ . 1 . 2]" 1
264 1 16 HIS HA 1 17 CYS H 3.450 . 4.938 3.423 3.356 3.473 . 0 0 "[ . 1 . 2]" 1
265 1 16 HIS HA 1 19 SER HA 2.950 . 4.038 3.248 3.048 3.554 . 0 0 "[ . 1 . 2]" 1
266 1 16 HIS HB2 1 16 HIS HD2 2.807 . 3.792 3.207 2.975 3.492 . 0 0 "[ . 1 . 2]" 1
267 1 16 HIS HB2 1 17 CYS H 3.419 . 4.880 3.175 2.909 3.376 . 0 0 "[ . 1 . 2]" 1
268 1 16 HIS HB2 1 18 CYS H 3.836 . 5.676 5.370 5.218 5.516 . 0 0 "[ . 1 . 2]" 1
269 1 16 HIS HB2 1 38 PHE QD 2.439 . 3.183 3.257 3.221 3.296 0.113 4 0 "[ . 1 . 2]" 1
270 1 16 HIS HB2 1 39 ILE H 3.559 . 5.143 5.038 4.847 5.187 0.044 6 0 "[ . 1 . 2]" 1
271 1 16 HIS HB2 1 39 ILE MG 3.415 . 4.873 4.960 4.938 4.988 0.115 4 0 "[ . 1 . 2]" 1
272 1 16 HIS HB3 1 17 CYS H 3.416 . 4.875 3.680 3.462 3.826 . 0 0 "[ . 1 . 2]" 1
273 1 16 HIS HB3 1 38 PHE HB3 3.188 . 4.459 3.342 3.263 3.442 . 0 0 "[ . 1 . 2]" 1
274 1 16 HIS HB3 1 38 PHE QD 3.160 . 4.408 3.873 3.695 4.015 . 0 0 "[ . 1 . 2]" 1
275 1 16 HIS HD2 1 40 GLU QB 2.251 . 2.884 3.627 3.442 3.871 0.987 11 20 [******-***+*********] 1
276 1 16 HIS HD2 1 40 GLU HG2 3.259 . 4.587 3.845 2.396 4.610 0.023 17 0 "[ . 1 . 2]" 1
277 1 16 HIS HD2 1 40 GLU HG3 3.252 . 4.574 2.771 2.192 3.980 . 0 0 "[ . 1 . 2]" 1
278 1 17 CYS H 1 17 CYS HA 2.975 . 4.082 2.876 2.825 2.900 . 0 0 "[ . 1 . 2]" 1
279 1 17 CYS H 1 17 CYS HB2 2.749 . 3.693 2.521 2.392 2.704 . 0 0 "[ . 1 . 2]" 1
280 1 17 CYS H 1 17 CYS HB3 2.716 . 3.638 3.101 2.359 3.600 . 0 0 "[ . 1 . 2]" 1
281 1 17 CYS H 1 18 CYS H 2.629 . 3.493 2.413 2.286 2.597 . 0 0 "[ . 1 . 2]" 1
282 1 17 CYS H 1 19 SER H 3.483 . 5.000 3.484 3.391 3.618 . 0 0 "[ . 1 . 2]" 1
283 1 17 CYS HA 1 17 CYS HB2 2.401 . 3.122 2.782 2.404 3.027 . 0 0 "[ . 1 . 2]" 1
284 1 17 CYS HA 1 17 CYS HB3 2.415 . 3.144 2.718 2.425 3.027 . 0 0 "[ . 1 . 2]" 1
285 1 17 CYS HA 1 18 CYS H 3.543 . 5.112 3.510 3.453 3.541 . 0 0 "[ . 1 . 2]" 1
286 1 17 CYS HB2 1 18 CYS H 2.810 . 3.797 3.249 2.612 3.845 0.048 14 0 "[ . 1 . 2]" 1
287 1 17 CYS HB2 1 36 SER HB2 3.031 . 4.179 3.911 3.461 4.290 0.111 13 0 "[ . 1 . 2]" 1
288 1 17 CYS HB2 1 36 SER HB3 2.791 . 3.765 3.448 3.173 3.874 0.109 15 0 "[ . 1 . 2]" 1
289 1 17 CYS HB3 1 18 CYS H 2.758 . 3.709 3.264 2.423 3.934 0.225 4 0 "[ . 1 . 2]" 1
290 1 17 CYS HB3 1 36 SER HB2 3.305 . 4.671 3.967 3.733 4.195 . 0 0 "[ . 1 . 2]" 1
291 1 17 CYS HB3 1 36 SER HB3 3.080 . 4.266 3.791 3.426 3.958 . 0 0 "[ . 1 . 2]" 1
292 1 18 CYS H 1 18 CYS HB2 2.786 . 3.756 2.508 2.475 2.553 . 0 0 "[ . 1 . 2]" 1
293 1 18 CYS H 1 18 CYS HB3 2.838 . 3.845 3.671 3.628 3.712 . 0 0 "[ . 1 . 2]" 1
294 1 18 CYS H 1 19 SER H 2.631 . 3.496 2.134 1.975 2.323 . 0 0 "[ . 1 . 2]" 1
295 1 18 CYS H 1 19 SER HA 3.864 . 5.730 4.276 4.103 4.490 . 0 0 "[ . 1 . 2]" 1
296 1 18 CYS H 1 20 VAL H 3.681 . 5.375 3.901 3.775 4.094 . 0 0 "[ . 1 . 2]" 1
297 1 18 CYS HA 1 18 CYS HB3 2.764 . 3.719 2.472 2.457 2.485 . 0 0 "[ . 1 . 2]" 1
298 1 18 CYS HB2 1 19 SER H 2.913 . 3.973 3.208 3.158 3.263 . 0 0 "[ . 1 . 2]" 1
299 1 18 CYS HB2 1 20 VAL H 3.133 . 4.360 2.883 2.817 2.983 . 0 0 "[ . 1 . 2]" 1
300 1 18 CYS HB2 1 20 VAL MG1 2.871 . 3.902 3.654 3.625 3.678 . 0 0 "[ . 1 . 2]" 1
301 1 18 CYS HB2 1 20 VAL MG2 2.477 . 3.244 2.017 1.949 2.096 . 0 0 "[ . 1 . 2]" 1
302 1 18 CYS HB3 1 19 SER H 3.038 . 4.192 4.067 4.049 4.083 . 0 0 "[ . 1 . 2]" 1
303 1 18 CYS HB3 1 20 VAL H 3.201 . 4.482 3.739 3.650 3.847 . 0 0 "[ . 1 . 2]" 1
304 1 18 CYS HB3 1 20 VAL MG1 2.680 . 3.578 2.943 2.886 3.021 . 0 0 "[ . 1 . 2]" 1
305 1 18 CYS HB3 1 20 VAL MG2 2.374 . 3.078 2.105 2.049 2.190 . 0 0 "[ . 1 . 2]" 1
306 1 19 SER H 1 19 SER HA 2.198 . 2.802 2.245 2.239 2.249 . 0 0 "[ . 1 . 2]" 1
307 1 19 SER H 1 19 SER HB2 3.432 . 4.904 4.015 4.000 4.028 . 0 0 "[ . 1 . 2]" 1
308 1 19 SER H 1 19 SER HB3 2.785 . 3.754 3.086 3.059 3.109 . 0 0 "[ . 1 . 2]" 1
309 1 19 SER H 1 20 VAL H 2.482 . 3.252 2.841 2.797 2.880 . 0 0 "[ . 1 . 2]" 1
310 1 19 SER H 1 20 VAL MG1 3.152 . 4.394 4.319 4.283 4.344 . 0 0 "[ . 1 . 2]" 1
311 1 19 SER H 1 20 VAL MG2 3.065 . 4.239 4.037 3.893 4.109 . 0 0 "[ . 1 . 2]" 1
312 1 19 SER HA 1 19 SER HB2 2.121 . 2.683 2.484 2.457 2.508 . 0 0 "[ . 1 . 2]" 1
313 1 19 SER HA 1 20 VAL H 2.579 . 3.411 2.710 2.647 2.756 . 0 0 "[ . 1 . 2]" 1
314 1 19 SER HB2 1 20 VAL H 3.642 . 5.300 4.434 4.414 4.451 . 0 0 "[ . 1 . 2]" 1
315 1 19 SER HB3 1 20 VAL H 3.642 . 5.300 4.641 4.627 4.656 . 0 0 "[ . 1 . 2]" 1
316 1 20 VAL H 1 20 VAL HA 2.699 . 3.610 2.927 2.921 2.932 . 0 0 "[ . 1 . 2]" 1
317 1 20 VAL H 1 20 VAL HB 3.173 . 4.432 3.895 3.875 3.916 . 0 0 "[ . 1 . 2]" 1
318 1 20 VAL H 1 20 VAL MG1 2.893 . 3.939 2.996 2.935 3.050 . 0 0 "[ . 1 . 2]" 1
319 1 20 VAL H 1 20 VAL MG2 2.638 . 3.508 2.315 2.273 2.356 . 0 0 "[ . 1 . 2]" 1
320 1 20 VAL H 1 21 GLU H 3.462 . 4.960 4.394 4.381 4.405 . 0 0 "[ . 1 . 2]" 1
321 1 20 VAL H 1 22 ILE MG 3.903 . 5.808 4.040 3.958 4.201 . 0 0 "[ . 1 . 2]" 1
322 1 20 VAL HA 1 20 VAL HB 2.167 . 2.754 2.436 2.426 2.455 . 0 0 "[ . 1 . 2]" 1
323 1 20 VAL HA 1 20 VAL MG1 2.239 . 2.866 2.392 2.373 2.413 . 0 0 "[ . 1 . 2]" 1
324 1 20 VAL HA 1 20 VAL MG2 2.404 . 3.127 3.203 3.197 3.207 0.080 17 0 "[ . 1 . 2]" 1
325 1 20 VAL HA 1 21 GLU H 1.900 . 2.351 2.382 2.366 2.407 0.056 1 0 "[ . 1 . 2]" 1
326 1 20 VAL HB 1 20 VAL MG1 2.127 . 2.692 2.124 2.121 2.126 . 0 0 "[ . 1 . 2]" 1
327 1 20 VAL HB 1 20 VAL MG2 2.066 . 2.599 2.123 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
328 1 20 VAL HB 1 21 GLU H 1.842 . 2.266 2.311 2.285 2.333 0.067 6 0 "[ . 1 . 2]" 1
329 1 20 VAL MG1 1 20 VAL MG2 1.694 . 2.053 2.077 2.073 2.080 0.027 12 0 "[ . 1 . 2]" 1
330 1 20 VAL MG1 1 21 GLU H 2.697 . 3.606 3.659 3.627 3.684 0.078 1 0 "[ . 1 . 2]" 1
331 1 20 VAL MG1 1 33 ARG HD2 3.285 . 4.634 4.472 4.030 4.659 0.025 8 0 "[ . 1 . 2]" 1
332 1 20 VAL MG1 1 33 ARG HD3 3.256 . 4.581 4.275 4.009 4.690 0.109 13 0 "[ . 1 . 2]" 1
333 1 20 VAL MG2 1 21 GLU H 2.506 . 3.291 3.263 3.221 3.307 0.016 15 0 "[ . 1 . 2]" 1
334 1 20 VAL MG2 1 22 ILE MG 2.122 . 2.685 1.998 1.918 2.075 . 0 0 "[ . 1 . 2]" 1
335 1 20 VAL MG2 1 33 ARG HD2 2.483 . 3.254 2.481 2.089 2.792 . 0 0 "[ . 1 . 2]" 1
336 1 20 VAL MG2 1 33 ARG HD3 2.655 . 3.536 2.592 2.128 3.217 . 0 0 "[ . 1 . 2]" 1
337 1 21 GLU H 1 21 GLU HA 2.511 . 3.299 2.898 2.890 2.907 . 0 0 "[ . 1 . 2]" 1
338 1 21 GLU H 1 21 GLU QG 3.422 . 4.634 3.941 3.824 4.061 . 0 0 "[ . 1 . 2]" 1
339 1 21 GLU H 1 22 ILE MG 3.808 . 5.621 4.157 4.101 4.247 . 0 0 "[ . 1 . 2]" 1
340 1 21 GLU HA 1 21 GLU HB2 2.270 . 2.914 2.611 2.491 2.716 . 0 0 "[ . 1 . 2]" 1
341 1 21 GLU HA 1 21 GLU QG 3.136 . 4.241 2.294 2.240 2.361 . 0 0 "[ . 1 . 2]" 1
342 1 21 GLU HA 1 22 ILE H 2.016 . 2.524 2.173 2.156 2.195 . 0 0 "[ . 1 . 2]" 1
343 1 21 GLU HA 1 22 ILE HG12 3.028 . 4.174 4.154 4.031 4.227 0.053 9 0 "[ . 1 . 2]" 1
344 1 21 GLU HB2 1 21 GLU QG 1.875 . 2.315 2.201 2.123 2.275 . 0 0 "[ . 1 . 2]" 1
345 1 21 GLU QG 1 22 ILE H 3.103 . 4.261 2.627 2.428 2.900 . 0 0 "[ . 1 . 2]" 1
346 1 22 ILE H 1 22 ILE HA 2.422 . 3.155 2.950 2.945 2.955 . 0 0 "[ . 1 . 2]" 1
347 1 22 ILE H 1 22 ILE HB 2.965 . 4.064 3.827 3.809 3.851 . 0 0 "[ . 1 . 2]" 1
348 1 22 ILE H 1 22 ILE MD 2.876 . 3.910 3.869 3.831 3.921 0.011 5 0 "[ . 1 . 2]" 1
349 1 22 ILE H 1 22 ILE HG12 2.301 . 2.963 2.976 2.923 3.014 0.051 16 0 "[ . 1 . 2]" 1
350 1 22 ILE H 1 22 ILE MG 2.710 . 3.628 3.051 2.999 3.105 . 0 0 "[ . 1 . 2]" 1
351 1 22 ILE H 1 24 PRO HD3 3.635 . 5.287 4.908 4.803 5.052 . 0 0 "[ . 1 . 2]" 1
352 1 22 ILE H 1 39 ILE MG 3.454 . 4.945 5.180 5.107 5.270 0.325 7 0 "[ . 1 . 2]" 1
353 1 22 ILE HA 1 22 ILE HB 2.064 . 2.597 2.488 2.467 2.503 . 0 0 "[ . 1 . 2]" 1
354 1 22 ILE HA 1 22 ILE HG12 2.967 . 4.067 3.990 3.965 4.013 . 0 0 "[ . 1 . 2]" 1
355 1 22 ILE HA 1 22 ILE MG 1.975 . 2.463 2.344 2.328 2.365 . 0 0 "[ . 1 . 2]" 1
356 1 22 ILE HA 1 23 VAL H 2.085 . 2.629 2.336 2.320 2.349 . 0 0 "[ . 1 . 2]" 1
357 1 22 ILE HA 1 23 VAL HB 3.417 . 4.876 4.732 4.681 4.786 . 0 0 "[ . 1 . 2]" 1
358 1 22 ILE HA 1 23 VAL MG1 2.590 . 3.428 3.529 3.514 3.549 0.121 20 0 "[ . 1 . 2]" 1
359 1 22 ILE HB 1 22 ILE MD 2.162 . 2.746 2.204 2.195 2.215 . 0 0 "[ . 1 . 2]" 1
360 1 22 ILE HB 1 22 ILE HG12 2.237 . 2.862 2.910 2.898 2.924 0.062 17 0 "[ . 1 . 2]" 1
361 1 22 ILE HB 1 22 ILE MG 1.999 . 2.499 2.123 2.119 2.125 . 0 0 "[ . 1 . 2]" 1
362 1 22 ILE HB 1 23 VAL H 2.090 . 2.636 2.340 2.305 2.384 . 0 0 "[ . 1 . 2]" 1
363 1 22 ILE HB 1 24 PRO HA 3.507 . 5.045 4.219 4.115 4.322 . 0 0 "[ . 1 . 2]" 1
364 1 22 ILE HB 1 31 CYS HA 2.910 . 3.968 4.023 4.005 4.055 0.087 10 0 "[ . 1 . 2]" 1
365 1 22 ILE HB 1 32 PRO HD2 2.417 . 3.147 2.592 2.410 2.685 . 0 0 "[ . 1 . 2]" 1
366 1 22 ILE HB 1 32 PRO HG3 4.649 . 7.350 2.693 2.581 2.790 . 0 0 "[ . 1 . 2]" 1
367 1 22 ILE HB 1 33 ARG H 3.744 . 5.496 4.803 4.510 4.963 . 0 0 "[ . 1 . 2]" 1
368 1 22 ILE MD 1 22 ILE HG12 2.167 . 2.754 2.111 2.109 2.115 . 0 0 "[ . 1 . 2]" 1
369 1 22 ILE MD 1 22 ILE MG 2.073 . 2.610 2.586 2.532 2.623 0.013 9 0 "[ . 1 . 2]" 1
370 1 22 ILE MD 1 23 VAL H 2.998 . 4.122 3.545 3.438 3.635 . 0 0 "[ . 1 . 2]" 1
371 1 22 ILE MD 1 24 PRO HA 2.271 . 2.916 2.519 2.429 2.588 . 0 0 "[ . 1 . 2]" 1
372 1 22 ILE MD 1 24 PRO HD2 2.969 . 4.071 4.082 4.025 4.108 0.037 17 0 "[ . 1 . 2]" 1
373 1 22 ILE MD 1 24 PRO HD3 2.853 . 3.870 2.980 2.928 3.007 . 0 0 "[ . 1 . 2]" 1
374 1 22 ILE MD 1 31 CYS H 3.304 . 4.669 4.320 4.254 4.353 . 0 0 "[ . 1 . 2]" 1
375 1 22 ILE MD 1 31 CYS HA 2.169 . 2.757 2.052 1.988 2.129 . 0 0 "[ . 1 . 2]" 1
376 1 22 ILE MD 1 31 CYS QB 2.801 . 3.782 3.085 2.975 3.186 . 0 0 "[ . 1 . 2]" 1
377 1 22 ILE MD 1 32 PRO HD2 2.405 . 3.128 2.446 2.253 2.549 . 0 0 "[ . 1 . 2]" 1
378 1 22 ILE MD 1 32 PRO HD3 2.500 . 3.281 2.228 2.165 2.295 . 0 0 "[ . 1 . 2]" 1
379 1 22 ILE MD 1 33 ARG H 3.694 . 5.400 4.257 4.134 4.415 . 0 0 "[ . 1 . 2]" 1
380 1 22 ILE MD 1 39 ILE HB 2.135 . 2.705 2.732 2.604 2.774 0.069 19 0 "[ . 1 . 2]" 1
381 1 22 ILE MD 1 39 ILE MD 2.324 . 2.999 2.440 2.363 2.545 . 0 0 "[ . 1 . 2]" 1
382 1 22 ILE MD 1 40 GLU H 3.557 . 5.139 4.804 4.683 4.922 . 0 0 "[ . 1 . 2]" 1
383 1 22 ILE HG12 1 22 ILE MG 1.983 . 2.475 2.166 2.160 2.175 . 0 0 "[ . 1 . 2]" 1
384 1 22 ILE HG12 1 31 CYS HA 3.396 . 4.838 4.468 4.390 4.608 . 0 0 "[ . 1 . 2]" 1
385 1 22 ILE HG12 1 32 PRO HD2 2.910 . 3.969 4.041 3.999 4.072 0.103 19 0 "[ . 1 . 2]" 1
386 1 22 ILE HG12 1 32 PRO HD3 3.454 . 4.945 4.490 4.395 4.691 . 0 0 "[ . 1 . 2]" 1
387 1 22 ILE MG 1 23 VAL H 2.717 . 3.640 3.532 3.494 3.588 . 0 0 "[ . 1 . 2]" 1
388 1 22 ILE MG 1 32 PRO HD2 2.533 . 3.335 2.400 2.326 2.515 . 0 0 "[ . 1 . 2]" 1
389 1 22 ILE MG 1 32 PRO HD3 2.973 . 4.078 3.516 3.420 3.743 . 0 0 "[ . 1 . 2]" 1
390 1 22 ILE MG 1 32 PRO HG2 2.641 . 3.513 2.989 2.894 3.078 . 0 0 "[ . 1 . 2]" 1
391 1 22 ILE MG 1 33 ARG H 3.382 . 4.812 3.724 3.585 3.847 . 0 0 "[ . 1 . 2]" 1
392 1 22 ILE MG 1 33 ARG HD2 2.736 . 3.672 2.435 2.064 2.724 . 0 0 "[ . 1 . 2]" 1
393 1 22 ILE MG 1 33 ARG HD3 2.787 . 3.758 3.289 2.683 3.748 . 0 0 "[ . 1 . 2]" 1
394 1 22 ILE MG 1 33 ARG HG2 2.501 . 3.283 3.222 3.009 3.318 0.035 2 0 "[ . 1 . 2]" 1
395 1 23 VAL H 1 23 VAL HA 2.667 . 3.556 2.943 2.939 2.946 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL H 1 23 VAL MG1 2.361 . 3.058 1.953 1.915 1.977 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL H 1 23 VAL MG2 2.885 . 3.926 3.789 3.772 3.800 . 0 0 "[ . 1 . 2]" 1
398 1 23 VAL H 1 32 PRO HG3 3.039 . 4.193 2.754 2.446 2.987 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL HA 1 23 VAL HB 2.636 . 3.505 2.381 2.371 2.392 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL HA 1 23 VAL MG2 2.206 . 2.814 2.480 2.466 2.495 . 0 0 "[ . 1 . 2]" 1
401 1 23 VAL HA 1 24 PRO HA 3.476 . 4.986 4.456 4.443 4.471 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL HA 1 24 PRO HD2 2.137 . 2.708 2.624 2.575 2.696 . 0 0 "[ . 1 . 2]" 1
403 1 23 VAL HA 1 24 PRO HD3 2.152 . 2.731 1.821 1.796 1.845 . 0 0 "[ . 1 . 2]" 1
404 1 23 VAL HA 1 24 PRO HG2 3.136 . 4.365 4.362 4.344 4.389 0.024 5 0 "[ . 1 . 2]" 1
405 1 23 VAL HB 1 23 VAL MG1 1.983 . 2.474 2.123 2.120 2.126 . 0 0 "[ . 1 . 2]" 1
406 1 23 VAL HB 1 23 VAL MG2 2.076 . 2.615 2.127 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
407 1 23 VAL MG1 1 24 PRO HD3 3.190 . 4.462 4.520 4.507 4.545 0.083 4 0 "[ . 1 . 2]" 1
408 1 23 VAL MG2 1 24 PRO HA 3.287 . 4.638 4.441 4.403 4.490 . 0 0 "[ . 1 . 2]" 1
409 1 23 VAL MG2 1 24 PRO HD2 2.356 . 3.050 2.879 2.771 2.972 . 0 0 "[ . 1 . 2]" 1
410 1 23 VAL MG2 1 24 PRO HD3 2.624 . 3.485 3.468 3.365 3.516 0.031 2 0 "[ . 1 . 2]" 1
411 1 24 PRO HA 1 24 PRO HB2 2.388 . 3.101 2.948 2.934 2.962 . 0 0 "[ . 1 . 2]" 1
412 1 24 PRO HA 1 24 PRO HB3 2.444 . 3.191 2.274 2.265 2.286 . 0 0 "[ . 1 . 2]" 1
413 1 24 PRO HA 1 24 PRO HD2 3.058 . 4.227 3.911 3.905 3.919 . 0 0 "[ . 1 . 2]" 1
414 1 24 PRO HA 1 24 PRO HD3 3.012 . 4.146 3.801 3.765 3.831 . 0 0 "[ . 1 . 2]" 1
415 1 24 PRO HA 1 24 PRO HG2 2.890 . 3.934 3.967 3.947 3.986 0.052 19 0 "[ . 1 . 2]" 1
416 1 24 PRO HA 1 25 ARG H 1.904 . 2.357 2.197 2.172 2.235 . 0 0 "[ . 1 . 2]" 1
417 1 24 PRO HA 1 31 CYS HA 2.770 . 3.729 3.207 3.036 3.438 . 0 0 "[ . 1 . 2]" 1
418 1 24 PRO HA 1 39 ILE MD 2.991 . 4.109 3.655 3.495 3.791 . 0 0 "[ . 1 . 2]" 1
419 1 24 PRO HB2 1 24 PRO HD2 3.122 . 4.340 2.926 2.892 2.954 . 0 0 "[ . 1 . 2]" 1
420 1 24 PRO HB2 1 24 PRO HG2 2.367 . 3.067 2.306 2.296 2.319 . 0 0 "[ . 1 . 2]" 1
421 1 24 PRO HB2 1 25 ARG H 2.851 . 3.867 3.511 3.334 3.651 . 0 0 "[ . 1 . 2]" 1
422 1 24 PRO HB2 1 26 LEU QD 3.216 . 4.509 2.642 2.545 2.740 . 0 0 "[ . 1 . 2]" 1
423 1 24 PRO HB2 1 29 TYR QD 3.033 . 4.183 2.969 2.503 3.306 . 0 0 "[ . 1 . 2]" 1
424 1 24 PRO HB2 1 29 TYR QE 3.314 . 4.687 4.143 3.362 4.424 . 0 0 "[ . 1 . 2]" 1
425 1 24 PRO HB2 1 39 ILE MD 2.527 . 3.325 3.419 3.359 3.492 0.167 4 0 "[ . 1 . 2]" 1
426 1 24 PRO HB3 1 24 PRO HD2 2.821 . 3.816 3.861 3.850 3.871 0.055 6 0 "[ . 1 . 2]" 1
427 1 24 PRO HB3 1 25 ARG H 2.774 . 3.736 3.200 3.055 3.324 . 0 0 "[ . 1 . 2]" 1
428 1 24 PRO HB3 1 26 LEU QD 2.961 . 4.057 4.054 3.985 4.090 0.033 10 0 "[ . 1 . 2]" 1
429 1 24 PRO HB3 1 29 TYR QD 2.945 . 4.029 3.421 2.908 3.690 . 0 0 "[ . 1 . 2]" 1
430 1 24 PRO HB3 1 39 ILE MD 2.758 . 3.709 2.331 2.255 2.378 . 0 0 "[ . 1 . 2]" 1
431 1 24 PRO HD2 1 24 PRO HG2 2.642 . 3.514 2.320 2.314 2.328 . 0 0 "[ . 1 . 2]" 1
432 1 24 PRO HD2 1 24 PRO HG3 2.526 . 3.324 2.992 2.987 2.996 . 0 0 "[ . 1 . 2]" 1
433 1 24 PRO HD3 1 24 PRO HG2 2.486 . 3.259 2.669 2.662 2.680 . 0 0 "[ . 1 . 2]" 1
434 1 24 PRO HD3 1 24 PRO HG3 2.486 . 3.259 2.315 2.309 2.320 . 0 0 "[ . 1 . 2]" 1
435 1 24 PRO HG2 1 29 TYR QD 2.686 . 3.588 3.436 3.062 3.632 0.044 1 0 "[ . 1 . 2]" 1
436 1 24 PRO HG2 1 29 TYR QE 2.955 . 4.047 3.918 2.736 4.123 0.076 14 0 "[ . 1 . 2]" 1
437 1 24 PRO HG2 1 39 ILE MD 2.143 . 2.717 2.713 2.657 2.761 0.044 4 0 "[ . 1 . 2]" 1
438 1 24 PRO HG3 1 39 ILE MD 2.663 . 3.549 1.960 1.867 2.052 . 0 0 "[ . 1 . 2]" 1
439 1 25 ARG H 1 25 ARG HA 2.462 . 3.219 2.869 2.847 2.890 . 0 0 "[ . 1 . 2]" 1
440 1 25 ARG H 1 25 ARG HB2 2.436 . 3.177 2.445 2.404 2.497 . 0 0 "[ . 1 . 2]" 1
441 1 25 ARG H 1 25 ARG HD2 3.579 . 5.180 4.057 3.982 4.180 . 0 0 "[ . 1 . 2]" 1
442 1 25 ARG H 1 25 ARG HG3 2.740 . 3.679 2.360 2.253 2.479 . 0 0 "[ . 1 . 2]" 1
443 1 25 ARG H 1 30 ILE H 2.439 . 3.182 3.217 3.199 3.238 0.056 10 0 "[ . 1 . 2]" 1
444 1 25 ARG H 1 30 ILE HG13 3.337 . 4.729 3.369 3.221 3.539 . 0 0 "[ . 1 . 2]" 1
445 1 25 ARG H 1 39 ILE MD 3.350 . 4.753 4.626 4.519 4.689 . 0 0 "[ . 1 . 2]" 1
446 1 25 ARG HA 1 25 ARG HB2 2.501 . 3.283 3.031 3.028 3.035 . 0 0 "[ . 1 . 2]" 1
447 1 25 ARG HA 1 25 ARG HB3 2.325 . 3.001 2.492 2.462 2.523 . 0 0 "[ . 1 . 2]" 1
448 1 25 ARG HA 1 25 ARG HG3 2.305 . 2.969 3.103 3.003 3.178 0.209 11 0 "[ . 1 . 2]" 1
449 1 25 ARG HA 1 26 LEU H 1.899 . 2.350 2.165 2.123 2.223 . 0 0 "[ . 1 . 2]" 1
450 1 25 ARG HB2 1 25 ARG HD2 2.708 . 3.624 2.463 2.397 2.581 . 0 0 "[ . 1 . 2]" 1
451 1 25 ARG HB2 1 25 ARG HD3 2.261 . 2.900 3.087 3.000 3.143 0.243 11 0 "[ . 1 . 2]" 1
452 1 25 ARG HB2 1 25 ARG HE 3.498 . 5.027 4.447 4.414 4.488 . 0 0 "[ . 1 . 2]" 1
453 1 25 ARG HB3 1 25 ARG HD2 2.361 . 3.058 3.003 2.897 3.086 0.028 17 0 "[ . 1 . 2]" 1
454 1 25 ARG HB3 1 25 ARG HD3 2.540 . 3.347 2.515 2.431 2.577 . 0 0 "[ . 1 . 2]" 1
455 1 25 ARG HB3 1 25 ARG HE 3.221 . 4.518 4.419 4.368 4.448 . 0 0 "[ . 1 . 2]" 1
456 1 25 ARG HB3 1 30 ILE H 3.136 . 4.366 4.428 4.376 4.474 0.108 3 0 "[ . 1 . 2]" 1
457 1 25 ARG HD2 1 25 ARG HE 2.634 . 3.501 2.851 2.792 2.896 . 0 0 "[ . 1 . 2]" 1
458 1 25 ARG HD2 1 25 ARG HG3 2.222 . 2.839 2.464 2.417 2.498 . 0 0 "[ . 1 . 2]" 1
459 1 25 ARG HD2 1 30 ILE MD 2.793 . 3.768 2.545 2.212 3.148 . 0 0 "[ . 1 . 2]" 1
460 1 25 ARG HD2 1 32 PRO HA 3.359 . 4.770 3.601 2.922 4.076 . 0 0 "[ . 1 . 2]" 1
461 1 25 ARG HD3 1 25 ARG HE 2.712 . 3.631 2.734 2.666 2.811 . 0 0 "[ . 1 . 2]" 1
462 1 25 ARG HD3 1 25 ARG HG3 2.298 . 2.958 3.013 3.008 3.016 0.058 14 0 "[ . 1 . 2]" 1
463 1 25 ARG HD3 1 30 ILE MD 2.755 . 3.704 3.678 3.418 4.132 0.428 16 0 "[ . 1 . 2]" 1
464 1 25 ARG HD3 1 32 PRO HA 3.573 . 5.169 4.521 4.010 4.836 . 0 0 "[ . 1 . 2]" 1
465 1 25 ARG HE 1 25 ARG HG3 3.089 . 4.282 2.585 2.529 2.658 . 0 0 "[ . 1 . 2]" 1
466 1 25 ARG HE 1 32 PRO HA 3.628 . 5.273 2.476 2.012 2.760 . 0 0 "[ . 1 . 2]" 1
467 1 25 ARG HG3 1 32 PRO HA 3.257 . 4.583 2.829 2.371 3.240 . 0 0 "[ . 1 . 2]" 1
468 1 26 LEU H 1 26 LEU HA 2.439 . 3.183 2.756 2.727 2.773 . 0 0 "[ . 1 . 2]" 1
469 1 26 LEU H 1 26 LEU HB2 2.416 . 3.146 2.020 1.992 2.069 . 0 0 "[ . 1 . 2]" 1
470 1 26 LEU H 1 26 LEU QD 3.090 . 4.283 2.866 2.509 3.145 . 0 0 "[ . 1 . 2]" 1
471 1 26 LEU HA 1 26 LEU HB2 2.417 . 3.147 2.801 2.736 2.869 . 0 0 "[ . 1 . 2]" 1
472 1 26 LEU HA 1 26 LEU HB3 2.585 . 3.421 2.833 2.754 2.896 . 0 0 "[ . 1 . 2]" 1
473 1 26 LEU HA 1 26 LEU QD 2.519 . 2.618 1.774 1.755 1.803 . 0 0 "[ . 1 . 2]" 1
474 1 26 LEU HA 1 26 LEU HG 2.573 . 3.401 3.548 3.536 3.557 0.156 8 0 "[ . 1 . 2]" 1
475 1 26 LEU HA 1 29 TYR QD 3.474 . 4.982 3.591 3.374 3.874 . 0 0 "[ . 1 . 2]" 1
476 1 26 LEU HB2 1 26 LEU QD 2.375 . 3.080 2.353 2.320 2.411 . 0 0 "[ . 1 . 2]" 1
477 1 26 LEU HB3 1 26 LEU QD 2.892 . 3.719 2.248 2.207 2.281 . 0 0 "[ . 1 . 2]" 1
478 1 26 LEU QD 1 27 PRO HA 2.752 . 3.699 4.332 3.953 4.632 0.933 5 15 "[-* *+* **** ******]" 1
479 1 26 LEU QD 1 29 TYR QD 2.788 . 3.146 2.961 2.878 3.026 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU QD 1 29 TYR QE 2.361 . 3.058 2.468 2.312 2.687 . 0 0 "[ . 1 . 2]" 1
481 1 27 PRO HB2 1 27 PRO HD2 2.725 . 3.653 2.853 2.821 2.933 . 0 0 "[ . 1 . 2]" 1
482 1 27 PRO HB2 1 27 PRO HD3 2.640 . 3.511 3.803 3.795 3.812 0.301 16 0 "[ . 1 . 2]" 1
483 1 27 PRO HD2 1 27 PRO HG2 2.593 . 3.434 2.320 2.301 2.330 . 0 0 "[ . 1 . 2]" 1
484 1 27 PRO HD2 1 27 PRO HG3 2.371 . 3.073 2.992 2.977 2.997 . 0 0 "[ . 1 . 2]" 1
485 1 27 PRO HD3 1 27 PRO HG2 2.422 . 3.155 2.677 2.662 2.714 . 0 0 "[ . 1 . 2]" 1
486 1 27 PRO HD3 1 27 PRO HG3 2.258 . 2.895 2.311 2.290 2.317 . 0 0 "[ . 1 . 2]" 1
487 1 28 ASP H 1 29 TYR H 2.087 . 2.632 1.978 1.870 2.128 . 0 0 "[ . 1 . 2]" 1
488 1 28 ASP HB2 1 30 ILE MD 2.359 . 3.054 2.822 2.544 3.040 . 0 0 "[ . 1 . 2]" 1
489 1 28 ASP HB2 1 30 ILE HG12 2.996 . 4.118 1.992 1.911 2.107 . 0 0 "[ . 1 . 2]" 1
490 1 28 ASP HB2 1 30 ILE HG13 3.200 . 4.480 3.501 3.413 3.544 . 0 0 "[ . 1 . 2]" 1
491 1 28 ASP HB3 1 30 ILE MD 2.340 . 3.024 2.678 2.410 2.898 . 0 0 "[ . 1 . 2]" 1
492 1 28 ASP HB3 1 30 ILE HG12 2.635 . 3.503 2.441 2.065 2.524 . 0 0 "[ . 1 . 2]" 1
493 1 28 ASP HB3 1 30 ILE HG13 3.205 . 4.489 4.133 3.766 4.200 . 0 0 "[ . 1 . 2]" 1
494 1 29 TYR HB3 1 29 TYR QD 1.969 . 2.454 2.715 2.654 2.771 0.317 19 0 "[ . 1 . 2]" 1
495 1 29 TYR QD 1 39 ILE MD 2.611 . 3.463 3.176 2.744 3.514 0.051 4 0 "[ . 1 . 2]" 1
496 1 30 ILE H 1 30 ILE HB 2.705 . 3.619 3.713 3.680 3.742 0.123 9 0 "[ . 1 . 2]" 1
497 1 30 ILE H 1 30 ILE HG12 2.458 . 3.213 2.052 1.983 2.125 . 0 0 "[ . 1 . 2]" 1
498 1 30 ILE H 1 30 ILE HG13 2.701 . 3.613 2.762 2.599 2.886 . 0 0 "[ . 1 . 2]" 1
499 1 30 ILE H 1 30 ILE MG 2.732 . 3.665 2.927 2.846 3.014 . 0 0 "[ . 1 . 2]" 1
500 1 30 ILE H 1 31 CYS H 3.175 . 4.435 4.348 4.312 4.379 . 0 0 "[ . 1 . 2]" 1
501 1 30 ILE HA 1 30 ILE HB 2.230 . 2.852 2.510 2.475 2.550 . 0 0 "[ . 1 . 2]" 1
502 1 30 ILE HA 1 30 ILE MG 2.036 . 2.554 2.273 2.236 2.302 . 0 0 "[ . 1 . 2]" 1
503 1 30 ILE HA 1 31 CYS H 2.522 . 3.317 2.618 2.553 2.685 . 0 0 "[ . 1 . 2]" 1
504 1 30 ILE HA 1 39 ILE MD 2.600 . 3.445 2.963 2.787 3.113 . 0 0 "[ . 1 . 2]" 1
505 1 30 ILE HB 1 30 ILE MD 1.954 . 2.431 2.429 2.390 2.449 0.018 16 0 "[ . 1 . 2]" 1
506 1 30 ILE HB 1 30 ILE HG12 2.157 . 2.738 3.026 3.022 3.029 0.291 4 0 "[ . 1 . 2]" 1
507 1 30 ILE HB 1 30 ILE MG 1.893 . 2.341 2.122 2.119 2.125 . 0 0 "[ . 1 . 2]" 1
508 1 30 ILE HB 1 31 CYS H 2.270 . 2.914 1.734 1.669 1.778 . 0 0 "[ . 1 . 2]" 1
509 1 30 ILE HB 1 31 CYS QB 3.100 . 4.301 3.571 3.505 3.617 . 0 0 "[ . 1 . 2]" 1
510 1 30 ILE HB 1 35 GLU H 3.681 . 5.375 4.107 4.040 4.161 . 0 0 "[ . 1 . 2]" 1
511 1 30 ILE HB 1 35 GLU HA 2.376 . 3.082 2.191 2.129 2.293 . 0 0 "[ . 1 . 2]" 1
512 1 30 ILE HB 1 36 SER H 2.457 . 3.212 3.346 3.307 3.371 0.159 13 0 "[ . 1 . 2]" 1
513 1 30 ILE MD 1 30 ILE HG13 1.722 . 2.093 2.118 2.116 2.121 0.028 15 0 "[ . 1 . 2]" 1
514 1 30 ILE MD 1 31 CYS H 2.870 . 3.900 3.632 3.548 3.691 . 0 0 "[ . 1 . 2]" 1
515 1 30 ILE MD 1 35 GLU H 3.272 . 4.610 4.186 4.091 4.288 . 0 0 "[ . 1 . 2]" 1
516 1 30 ILE MD 1 35 GLU HA 2.275 . 2.922 2.228 2.121 2.362 . 0 0 "[ . 1 . 2]" 1
517 1 30 ILE MD 1 35 GLU HB2 2.624 . 3.485 3.508 3.388 3.556 0.071 15 0 "[ . 1 . 2]" 1
518 1 30 ILE MD 1 35 GLU HB3 2.486 . 3.258 2.029 1.930 2.129 . 0 0 "[ . 1 . 2]" 1
519 1 30 ILE HG13 1 30 ILE MG 2.306 . 2.971 3.206 3.201 3.211 0.240 9 0 "[ . 1 . 2]" 1
520 1 30 ILE HG13 1 31 CYS H 3.147 . 4.385 3.251 3.110 3.427 . 0 0 "[ . 1 . 2]" 1
521 1 30 ILE MG 1 31 CYS H 2.493 . 3.270 3.277 3.199 3.322 0.052 9 0 "[ . 1 . 2]" 1
522 1 30 ILE MG 1 35 GLU HA 2.622 . 3.481 3.554 3.527 3.589 0.108 6 0 "[ . 1 . 2]" 1
523 1 30 ILE MG 1 35 GLU HB3 3.150 . 4.391 3.737 3.636 3.853 . 0 0 "[ . 1 . 2]" 1
524 1 30 ILE MG 1 36 SER HA 3.005 . 4.134 4.151 3.875 4.387 0.253 10 0 "[ . 1 . 2]" 1
525 1 30 ILE MG 1 37 GLY H 3.183 . 4.450 3.599 3.261 3.779 . 0 0 "[ . 1 . 2]" 1
526 1 30 ILE MG 1 37 GLY HA2 2.643 . 3.516 2.651 2.425 2.916 . 0 0 "[ . 1 . 2]" 1
527 1 30 ILE MG 1 37 GLY HA3 2.560 . 3.379 2.837 2.644 3.017 . 0 0 "[ . 1 . 2]" 1
528 1 31 CYS H 1 31 CYS QB 2.395 . 2.633 2.221 2.199 2.239 . 0 0 "[ . 1 . 2]" 1
529 1 31 CYS H 1 39 ILE MD 2.960 . 4.055 4.016 3.819 4.094 0.039 8 0 "[ . 1 . 2]" 1
530 1 31 CYS HA 1 31 CYS QB 2.477 . 3.035 2.385 2.373 2.395 . 0 0 "[ . 1 . 2]" 1
531 1 31 CYS HA 1 32 PRO HD2 2.456 . 3.210 2.486 2.343 2.582 . 0 0 "[ . 1 . 2]" 1
532 1 31 CYS HA 1 32 PRO HD3 2.137 . 2.708 2.164 2.129 2.230 . 0 0 "[ . 1 . 2]" 1
533 1 31 CYS HA 1 39 ILE MD 4.057 . 6.114 3.602 3.439 3.722 . 0 0 "[ . 1 . 2]" 1
534 1 31 CYS HA 1 39 ILE MG 2.519 . 3.312 3.116 2.980 3.199 . 0 0 "[ . 1 . 2]" 1
535 1 31 CYS QB 1 33 ARG H 3.178 . 4.441 3.250 3.133 3.380 . 0 0 "[ . 1 . 2]" 1
536 1 31 CYS QB 1 34 CYS H 3.332 . 3.635 2.347 2.281 2.425 . 0 0 "[ . 1 . 2]" 1
537 1 31 CYS QB 1 35 GLU H 2.716 . 3.638 1.937 1.912 1.967 . 0 0 "[ . 1 . 2]" 1
538 1 31 CYS QB 1 35 GLU HA 3.533 . 5.093 2.946 2.859 3.019 . 0 0 "[ . 1 . 2]" 1
539 1 31 CYS QB 1 36 SER H 2.230 . 2.851 2.136 1.990 2.224 . 0 0 "[ . 1 . 2]" 1
540 1 31 CYS QB 1 36 SER HB3 3.360 . 3.751 3.266 2.956 3.393 . 0 0 "[ . 1 . 2]" 1
541 1 31 CYS QB 1 38 PHE H 3.840 . 5.684 4.622 4.506 4.724 . 0 0 "[ . 1 . 2]" 1
542 1 31 CYS QB 1 39 ILE MD 3.277 . 4.619 3.894 3.769 3.977 . 0 0 "[ . 1 . 2]" 1
543 1 31 CYS QB 1 39 ILE MG 2.782 . 3.749 2.727 2.617 2.815 . 0 0 "[ . 1 . 2]" 1
544 1 32 PRO HA 1 32 PRO HB2 2.059 . 2.589 2.687 2.672 2.701 0.112 20 0 "[ . 1 . 2]" 1
545 1 32 PRO HA 1 33 ARG H 2.892 . 3.938 3.377 3.332 3.433 . 0 0 "[ . 1 . 2]" 1
546 1 32 PRO HA 1 35 GLU H 3.206 . 4.491 4.451 4.295 4.525 0.034 18 0 "[ . 1 . 2]" 1
547 1 32 PRO HB2 1 32 PRO HD3 2.849 . 3.864 3.998 3.957 4.027 0.163 7 0 "[ . 1 . 2]" 1
548 1 32 PRO HD2 1 32 PRO HG2 2.578 . 3.409 2.268 2.260 2.284 . 0 0 "[ . 1 . 2]" 1
549 1 32 PRO HD2 1 32 PRO HG3 2.589 . 3.427 2.767 2.735 2.790 . 0 0 "[ . 1 . 2]" 1
550 1 32 PRO HD2 1 33 ARG H 2.718 . 3.641 2.321 2.239 2.387 . 0 0 "[ . 1 . 2]" 1
551 1 32 PRO HD2 1 33 ARG HB2 3.120 . 4.337 4.223 3.930 4.391 0.054 9 0 "[ . 1 . 2]" 1
552 1 32 PRO HD2 1 33 ARG HG2 2.463 . 3.221 3.356 3.286 3.409 0.188 13 0 "[ . 1 . 2]" 1
553 1 32 PRO HD2 1 35 GLU H 3.388 . 4.823 4.865 4.841 4.894 0.071 10 0 "[ . 1 . 2]" 1
554 1 32 PRO HD2 1 39 ILE MG 3.814 . 5.632 4.456 4.291 4.555 . 0 0 "[ . 1 . 2]" 1
555 1 32 PRO HD3 1 32 PRO HG2 2.656 . 3.538 2.949 2.934 2.970 . 0 0 "[ . 1 . 2]" 1
556 1 32 PRO HD3 1 32 PRO HG3 2.565 . 3.387 2.280 2.272 2.294 . 0 0 "[ . 1 . 2]" 1
557 1 32 PRO HD3 1 33 ARG H 3.127 . 4.349 3.607 3.545 3.665 . 0 0 "[ . 1 . 2]" 1
558 1 32 PRO HD3 1 39 ILE MG 3.154 . 4.397 4.400 4.321 4.458 0.061 17 0 "[ . 1 . 2]" 1
559 1 32 PRO HG3 1 33 ARG H 3.246 . 4.563 4.189 4.034 4.286 . 0 0 "[ . 1 . 2]" 1
560 1 33 ARG H 1 33 ARG HA 2.702 . 3.615 2.910 2.896 2.919 . 0 0 "[ . 1 . 2]" 1
561 1 33 ARG H 1 33 ARG HB2 2.371 . 3.074 2.777 2.690 2.892 . 0 0 "[ . 1 . 2]" 1
562 1 33 ARG H 1 33 ARG HB3 2.675 . 3.569 3.636 3.612 3.659 0.090 2 0 "[ . 1 . 2]" 1
563 1 33 ARG H 1 33 ARG HD2 3.630 . 5.277 4.537 4.475 4.571 . 0 0 "[ . 1 . 2]" 1
564 1 33 ARG H 1 33 ARG HD3 3.178 . 4.441 4.562 4.247 4.849 0.408 13 0 "[ . 1 . 2]" 1
565 1 33 ARG H 1 33 ARG HG2 2.507 . 3.293 2.661 2.252 2.897 . 0 0 "[ . 1 . 2]" 1
566 1 33 ARG H 1 34 CYS H 2.327 . 3.004 2.361 2.198 2.522 . 0 0 "[ . 1 . 2]" 1
567 1 33 ARG H 1 35 GLU H 2.879 . 3.915 3.309 3.147 3.509 . 0 0 "[ . 1 . 2]" 1
568 1 33 ARG H 1 35 GLU HA 3.735 . 5.479 4.994 4.761 5.211 . 0 0 "[ . 1 . 2]" 1
569 1 33 ARG HA 1 33 ARG HB2 2.447 . 3.195 2.984 2.963 2.997 . 0 0 "[ . 1 . 2]" 1
570 1 33 ARG HA 1 33 ARG HB3 2.301 . 2.963 2.315 2.286 2.344 . 0 0 "[ . 1 . 2]" 1
571 1 33 ARG HA 1 33 ARG HG2 2.278 . 2.927 2.736 2.630 2.852 . 0 0 "[ . 1 . 2]" 1
572 1 33 ARG HA 1 35 GLU H 3.374 . 4.797 4.749 4.646 4.813 0.016 17 0 "[ . 1 . 2]" 1
573 1 33 ARG HB2 1 33 ARG HD2 2.808 . 3.793 3.633 2.808 3.935 0.142 8 0 "[ . 1 . 2]" 1
574 1 33 ARG HB2 1 33 ARG HD3 2.825 . 3.823 2.871 2.566 3.280 . 0 0 "[ . 1 . 2]" 1
575 1 33 ARG HB2 1 33 ARG HE 3.668 . 5.350 3.788 2.964 4.541 . 0 0 "[ . 1 . 2]" 1
576 1 33 ARG HB2 1 33 ARG HG2 2.226 . 2.845 2.950 2.853 2.989 0.144 19 0 "[ . 1 . 2]" 1
577 1 33 ARG HB2 1 34 CYS H 2.595 . 3.437 2.503 2.250 2.767 . 0 0 "[ . 1 . 2]" 1
578 1 33 ARG HB3 1 33 ARG HD2 3.030 . 4.178 3.427 2.825 3.639 . 0 0 "[ . 1 . 2]" 1
579 1 33 ARG HB3 1 33 ARG HD3 3.161 . 4.410 2.604 2.213 3.041 . 0 0 "[ . 1 . 2]" 1
580 1 33 ARG HB3 1 33 ARG HG2 2.200 . 2.805 2.627 2.507 2.800 . 0 0 "[ . 1 . 2]" 1
581 1 33 ARG HB3 1 34 CYS H 2.875 . 3.908 3.853 3.684 3.993 0.085 13 0 "[ . 1 . 2]" 1
582 1 33 ARG HD2 1 33 ARG HE 2.711 . 3.630 2.784 2.428 2.951 . 0 0 "[ . 1 . 2]" 1
583 1 33 ARG HD2 1 33 ARG HG2 2.271 . 2.915 2.551 2.378 2.986 0.071 13 0 "[ . 1 . 2]" 1
584 1 33 ARG HD3 1 33 ARG HG2 2.229 . 2.850 2.904 2.501 3.003 0.153 10 0 "[ . 1 . 2]" 1
585 1 33 ARG HE 1 33 ARG HG2 3.036 . 4.188 2.647 2.355 3.115 . 0 0 "[ . 1 . 2]" 1
586 1 34 CYS H 1 34 CYS HA 2.693 . 3.599 2.941 2.933 2.945 . 0 0 "[ . 1 . 2]" 1
587 1 34 CYS H 1 34 CYS HB2 2.909 . 3.967 3.821 3.767 3.883 . 0 0 "[ . 1 . 2]" 1
588 1 34 CYS H 1 34 CYS HB3 2.841 . 3.850 3.045 2.937 3.173 . 0 0 "[ . 1 . 2]" 1
589 1 34 CYS H 1 35 GLU H 2.216 . 2.830 1.983 1.861 2.097 . 0 0 "[ . 1 . 2]" 1
590 1 34 CYS HA 1 34 CYS HB2 2.271 . 2.916 2.414 2.406 2.426 . 0 0 "[ . 1 . 2]" 1
591 1 34 CYS HA 1 34 CYS HB3 2.292 . 2.949 2.467 2.457 2.479 . 0 0 "[ . 1 . 2]" 1
592 1 34 CYS HA 1 35 GLU H 2.938 . 4.017 3.334 3.305 3.355 . 0 0 "[ . 1 . 2]" 1
593 1 34 CYS HB2 1 35 GLU H 3.430 . 4.901 4.285 4.252 4.341 . 0 0 "[ . 1 . 2]" 1
594 1 35 GLU H 1 35 GLU HA 1.980 . 2.470 2.273 2.267 2.279 . 0 0 "[ . 1 . 2]" 1
595 1 35 GLU H 1 35 GLU HB2 3.010 . 4.142 3.540 3.469 3.624 . 0 0 "[ . 1 . 2]" 1
596 1 35 GLU H 1 35 GLU HB3 2.921 . 3.987 4.024 4.007 4.051 0.064 14 0 "[ . 1 . 2]" 1
597 1 35 GLU H 1 35 GLU HG2 2.794 . 3.770 3.486 3.355 3.567 . 0 0 "[ . 1 . 2]" 1
598 1 35 GLU H 1 35 GLU HG3 2.647 . 3.523 2.749 2.600 2.979 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU H 1 36 SER H 2.515 . 3.306 2.775 2.721 2.827 . 0 0 "[ . 1 . 2]" 1
600 1 35 GLU H 1 36 SER HB3 3.314 . 4.687 4.746 4.713 4.781 0.094 12 0 "[ . 1 . 2]" 1
601 1 35 GLU HA 1 35 GLU HB2 2.503 . 3.286 3.021 3.017 3.024 . 0 0 "[ . 1 . 2]" 1
602 1 35 GLU HA 1 35 GLU HB3 2.356 . 3.050 2.459 2.414 2.510 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLU HA 1 35 GLU HG2 2.888 . 3.931 2.609 2.463 2.680 . 0 0 "[ . 1 . 2]" 1
604 1 35 GLU HA 1 35 GLU HG3 2.540 . 3.346 3.042 2.925 3.155 . 0 0 "[ . 1 . 2]" 1
605 1 35 GLU HA 1 36 SER H 2.647 . 3.523 2.800 2.719 2.863 . 0 0 "[ . 1 . 2]" 1
606 1 36 SER H 1 36 SER HB2 2.561 . 3.381 2.986 2.882 3.154 . 0 0 "[ . 1 . 2]" 1
607 1 36 SER H 1 36 SER HB3 2.504 . 3.288 2.322 2.265 2.382 . 0 0 "[ . 1 . 2]" 1
608 1 36 SER HA 1 38 PHE H 3.135 . 4.364 4.368 4.170 4.491 0.127 3 0 "[ . 1 . 2]" 1
609 1 36 SER HB2 1 38 PHE H 3.242 . 4.556 4.204 3.988 4.372 . 0 0 "[ . 1 . 2]" 1
610 1 36 SER HB3 1 37 GLY H 2.857 . 3.877 2.461 2.354 2.619 . 0 0 "[ . 1 . 2]" 1
611 1 36 SER HB3 1 38 PHE H 2.460 . 3.216 3.061 2.845 3.230 0.014 9 0 "[ . 1 . 2]" 1
612 1 37 GLY H 1 37 GLY HA2 2.186 . 2.783 2.464 2.425 2.490 . 0 0 "[ . 1 . 2]" 1
613 1 37 GLY H 1 37 GLY HA3 2.370 . 3.072 2.931 2.927 2.934 . 0 0 "[ . 1 . 2]" 1
614 1 37 GLY H 1 38 PHE H 2.350 . 3.041 2.439 2.348 2.543 . 0 0 "[ . 1 . 2]" 1
615 1 37 GLY HA2 1 38 PHE H 3.124 . 4.344 3.455 3.423 3.478 . 0 0 "[ . 1 . 2]" 1
616 1 37 GLY HA3 1 38 PHE H 2.797 . 3.775 3.001 2.941 3.099 . 0 0 "[ . 1 . 2]" 1
617 1 38 PHE H 1 38 PHE HA 2.706 . 3.621 2.840 2.823 2.856 . 0 0 "[ . 1 . 2]" 1
618 1 38 PHE H 1 38 PHE HB2 2.785 . 3.755 2.277 2.232 2.337 . 0 0 "[ . 1 . 2]" 1
619 1 38 PHE H 1 38 PHE HB3 2.560 . 3.379 3.546 3.522 3.575 0.196 10 0 "[ . 1 . 2]" 1
620 1 38 PHE H 1 38 PHE QD 3.260 . 4.589 2.257 1.953 2.482 . 0 0 "[ . 1 . 2]" 1
621 1 38 PHE H 1 39 ILE H 3.155 . 4.399 4.054 3.950 4.161 . 0 0 "[ . 1 . 2]" 1
622 1 38 PHE H 1 39 ILE MG 3.126 . 4.348 3.699 3.559 3.807 . 0 0 "[ . 1 . 2]" 1
623 1 38 PHE HA 1 38 PHE HB2 2.727 . 3.657 2.999 2.986 3.013 . 0 0 "[ . 1 . 2]" 1
624 1 38 PHE HA 1 38 PHE HB3 2.652 . 3.531 2.600 2.559 2.630 . 0 0 "[ . 1 . 2]" 1
625 1 38 PHE HA 1 38 PHE QD 2.283 . 2.934 3.009 2.974 3.069 0.135 7 0 "[ . 1 . 2]" 1
626 1 38 PHE HA 1 39 ILE H 2.144 . 2.719 2.289 2.249 2.340 . 0 0 "[ . 1 . 2]" 1
627 1 38 PHE HB2 1 38 PHE QD 2.400 . 3.120 2.507 2.418 2.671 . 0 0 "[ . 1 . 2]" 1
628 1 38 PHE HB2 1 39 ILE H 3.466 . 4.968 4.560 4.531 4.574 . 0 0 "[ . 1 . 2]" 1
629 1 38 PHE HB3 1 38 PHE QD 2.737 . 3.674 2.286 2.242 2.327 . 0 0 "[ . 1 . 2]" 1
630 1 38 PHE HB3 1 39 ILE H 3.458 . 4.952 4.082 4.004 4.145 . 0 0 "[ . 1 . 2]" 1
631 1 38 PHE QD 1 39 ILE H 3.360 . 4.771 4.732 4.624 4.787 0.016 18 0 "[ . 1 . 2]" 1
632 1 39 ILE H 1 39 ILE HA 2.799 . 3.778 2.928 2.918 2.936 . 0 0 "[ . 1 . 2]" 1
633 1 39 ILE H 1 39 ILE HB 2.802 . 3.783 3.837 3.814 3.860 0.077 8 0 "[ . 1 . 2]" 1
634 1 39 ILE H 1 39 ILE MD 3.066 . 4.241 3.840 3.784 3.889 . 0 0 "[ . 1 . 2]" 1
635 1 39 ILE H 1 39 ILE HG12 2.469 . 3.231 2.174 2.105 2.228 . 0 0 "[ . 1 . 2]" 1
636 1 39 ILE H 1 39 ILE HG13 2.743 . 3.684 3.191 3.134 3.265 . 0 0 "[ . 1 . 2]" 1
637 1 39 ILE H 1 39 ILE MG 2.554 . 3.370 3.040 2.965 3.072 . 0 0 "[ . 1 . 2]" 1
638 1 39 ILE H 1 40 GLU H 3.284 . 4.632 4.397 4.363 4.424 . 0 0 "[ . 1 . 2]" 1
639 1 39 ILE HA 1 39 ILE HB 2.475 . 3.241 2.477 2.463 2.489 . 0 0 "[ . 1 . 2]" 1
640 1 39 ILE HA 1 39 ILE MD 3.050 . 4.213 4.186 4.178 4.194 . 0 0 "[ . 1 . 2]" 1
641 1 39 ILE HA 1 39 ILE HG12 3.534 . 5.095 3.654 3.641 3.671 . 0 0 "[ . 1 . 2]" 1
642 1 39 ILE HA 1 39 ILE MG 2.275 . 2.922 2.329 2.317 2.344 . 0 0 "[ . 1 . 2]" 1
643 1 39 ILE HA 1 40 GLU H 2.096 . 2.645 2.275 2.240 2.314 . 0 0 "[ . 1 . 2]" 1
644 1 39 ILE HB 1 39 ILE MD 2.374 . 3.079 2.565 2.538 2.587 . 0 0 "[ . 1 . 2]" 1
645 1 39 ILE HB 1 39 ILE HG12 2.339 . 3.023 3.018 3.011 3.022 . 0 0 "[ . 1 . 2]" 1
646 1 39 ILE HB 1 39 ILE MG 1.966 . 2.449 2.118 2.114 2.125 . 0 0 "[ . 1 . 2]" 1
647 1 39 ILE HB 1 40 GLU H 2.551 . 3.364 2.669 2.610 2.775 . 0 0 "[ . 1 . 2]" 1
648 1 39 ILE MD 1 39 ILE HG12 2.112 . 2.670 2.119 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
649 1 39 ILE MD 1 39 ILE HG13 2.202 . 2.808 2.119 2.116 2.121 . 0 0 "[ . 1 . 2]" 1
650 1 39 ILE MD 1 39 ILE MG 1.966 . 2.449 1.796 1.769 1.826 . 0 0 "[ . 1 . 2]" 1
651 1 39 ILE MD 1 40 GLU H 3.536 . 5.099 4.722 4.670 4.802 . 0 0 "[ . 1 . 2]" 1
652 1 39 ILE HG12 1 40 GLU H 3.802 . 5.609 4.768 4.714 4.837 . 0 0 "[ . 1 . 2]" 1
653 1 39 ILE HG13 1 40 GLU H 3.447 . 4.932 4.011 3.951 4.107 . 0 0 "[ . 1 . 2]" 1
654 1 39 ILE MG 1 40 GLU H 2.672 . 3.565 3.660 3.636 3.692 0.127 4 0 "[ . 1 . 2]" 1
655 1 40 GLU H 1 40 GLU HA 2.598 . 3.442 2.940 2.937 2.944 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLU H 1 40 GLU QB 2.377 . 3.083 2.417 2.373 2.475 . 0 0 "[ . 1 . 2]" 1
657 1 40 GLU H 1 40 GLU HG2 3.315 . 4.688 3.789 2.896 4.209 . 0 0 "[ . 1 . 2]" 1
658 1 40 GLU H 1 40 GLU HG3 3.351 . 4.754 3.461 3.009 4.328 . 0 0 "[ . 1 . 2]" 1
659 1 40 GLU H 1 41 GLU H 3.117 . 4.331 4.345 4.283 4.378 0.047 4 0 "[ . 1 . 2]" 1
660 1 40 GLU HA 1 40 GLU QB 2.260 . 2.899 2.422 2.373 2.464 . 0 0 "[ . 1 . 2]" 1
661 1 40 GLU HA 1 40 GLU HG2 2.636 . 3.504 2.507 2.287 3.127 . 0 0 "[ . 1 . 2]" 1
662 1 40 GLU HA 1 40 GLU HG3 2.802 . 3.783 3.210 2.960 3.661 . 0 0 "[ . 1 . 2]" 1
663 1 40 GLU HA 1 41 GLU H 1.902 . 2.354 2.123 2.109 2.159 . 0 0 "[ . 1 . 2]" 1
664 1 40 GLU HA 1 41 GLU HB2 3.385 . 4.817 4.339 4.246 4.452 . 0 0 "[ . 1 . 2]" 1
665 1 40 GLU QB 1 42 LEU MD2 3.042 . 4.199 2.868 2.680 3.072 . 0 0 "[ . 1 . 2]" 1
666 1 41 GLU H 1 41 GLU HA 2.460 . 3.216 2.868 2.840 2.892 . 0 0 "[ . 1 . 2]" 1
667 1 41 GLU H 1 41 GLU HB2 2.201 . 2.806 2.432 2.354 2.586 . 0 0 "[ . 1 . 2]" 1
668 1 41 GLU H 1 41 GLU HB3 2.330 . 3.009 2.589 2.509 2.632 . 0 0 "[ . 1 . 2]" 1
669 1 41 GLU H 1 41 GLU HG2 3.280 . 4.625 4.389 4.349 4.451 . 0 0 "[ . 1 . 2]" 1
670 1 41 GLU H 1 42 LEU H 3.117 . 4.332 4.379 4.279 4.437 0.105 4 0 "[ . 1 . 2]" 1
671 1 41 GLU HA 1 41 GLU HB2 2.380 . 3.088 2.545 2.499 2.570 . 0 0 "[ . 1 . 2]" 1
672 1 41 GLU HA 1 41 GLU HB3 2.518 . 3.311 3.022 3.019 3.028 . 0 0 "[ . 1 . 2]" 1
673 1 41 GLU HA 1 41 GLU HG2 2.835 . 3.840 2.383 2.327 2.419 . 0 0 "[ . 1 . 2]" 1
674 1 41 GLU HA 1 42 LEU H 2.025 . 2.538 2.131 2.114 2.162 . 0 0 "[ . 1 . 2]" 1
675 1 41 GLU HA 1 42 LEU HB2 3.233 . 4.540 4.568 4.535 4.596 0.056 7 0 "[ . 1 . 2]" 1
676 1 41 GLU HA 1 42 LEU HG 3.030 . 4.178 3.831 3.737 3.934 . 0 0 "[ . 1 . 2]" 1
677 1 41 GLU HB3 1 41 GLU HG2 2.519 . 3.312 2.985 2.943 3.000 . 0 0 "[ . 1 . 2]" 1
678 1 41 GLU HG2 1 42 LEU H 2.872 . 3.903 3.426 3.054 3.760 . 0 0 "[ . 1 . 2]" 1
679 1 42 LEU H 1 42 LEU HA 2.440 . 3.184 2.873 2.846 2.899 . 0 0 "[ . 1 . 2]" 1
680 1 42 LEU H 1 42 LEU HB2 2.090 . 2.636 2.457 2.421 2.484 . 0 0 "[ . 1 . 2]" 1
681 1 42 LEU H 1 42 LEU MD1 2.783 . 3.751 3.662 3.600 3.703 . 0 0 "[ . 1 . 2]" 1
682 1 42 LEU H 1 42 LEU MD2 2.946 . 4.031 3.386 3.281 3.538 . 0 0 "[ . 1 . 2]" 1
683 1 42 LEU HA 1 42 LEU HB2 2.281 . 2.931 3.007 3.000 3.010 0.079 20 0 "[ . 1 . 2]" 1
684 1 42 LEU HA 1 42 LEU MD1 2.911 . 3.971 3.853 3.831 3.874 . 0 0 "[ . 1 . 2]" 1
685 1 42 LEU HA 1 42 LEU MD2 2.004 . 2.506 2.057 2.009 2.105 . 0 0 "[ . 1 . 2]" 1
686 1 42 LEU MD1 1 42 LEU HG 1.678 . 2.030 2.114 2.107 2.116 0.086 1 0 "[ . 1 . 2]" 1
687 1 42 LEU MD2 1 42 LEU HG 1.844 . 2.269 2.128 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
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