NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379827 |
1i6c   |
4882 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i6c
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 605
_Distance_constraint_stats_list.Viol_count 820
_Distance_constraint_stats_list.Viol_total 187.345
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0228
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.018 0.018 7 0 "[ . 1]"
1 2 LEU 5.812 0.370 6 0 "[ . 1]"
1 3 PRO 4.598 0.370 6 0 "[ . 1]"
1 4 PRO 0.335 0.035 7 0 "[ . 1]"
1 5 GLY 0.460 0.035 7 0 "[ . 1]"
1 6 TRP 3.438 0.325 1 0 "[ . 1]"
1 7 GLU 0.796 0.069 9 0 "[ . 1]"
1 8 LYS 0.233 0.023 3 0 "[ . 1]"
1 9 ARG 0.986 0.054 7 0 "[ . 1]"
1 10 MET 0.691 0.054 7 0 "[ . 1]"
1 11 SER 0.362 0.036 10 0 "[ . 1]"
1 12 ARG 0.151 0.019 5 0 "[ . 1]"
1 13 SER 0.101 0.022 2 0 "[ . 1]"
1 14 SER 0.151 0.022 8 0 "[ . 1]"
1 15 GLY 0.231 0.035 5 0 "[ . 1]"
1 16 ARG 0.795 0.035 5 0 "[ . 1]"
1 17 VAL 0.419 0.081 4 0 "[ . 1]"
1 18 TYR 0.747 0.202 2 0 "[ . 1]"
1 19 TYR 1.349 0.310 2 0 "[ . 1]"
1 20 PHE 1.203 0.136 9 0 "[ . 1]"
1 21 ASN 1.635 0.302 5 0 "[ . 1]"
1 22 HIS 0.485 0.038 1 0 "[ . 1]"
1 23 ILE 0.154 0.023 4 0 "[ . 1]"
1 24 THR 0.597 0.302 5 0 "[ . 1]"
1 25 ASN 0.292 0.080 5 0 "[ . 1]"
1 26 ALA 1.087 0.226 9 0 "[ . 1]"
1 27 SER 0.719 0.202 2 0 "[ . 1]"
1 28 GLN 0.798 0.089 1 0 "[ . 1]"
1 29 TRP 1.058 0.053 5 0 "[ . 1]"
1 30 GLU 0.464 0.089 1 0 "[ . 1]"
1 31 ARG 0.928 0.310 2 0 "[ . 1]"
1 32 PRO 0.797 0.038 2 0 "[ . 1]"
1 33 SER 0.308 0.042 1 0 "[ . 1]"
1 34 GLY 0.193 0.031 5 0 "[ . 1]"
1 35 ASN 0.197 0.029 8 0 "[ . 1]"
1 36 SER 0.073 0.022 5 0 "[ . 1]"
1 37 SER 0.060 0.014 2 0 "[ . 1]"
1 38 SER 0.250 0.054 1 0 "[ . 1]"
1 39 GLY 0.142 0.033 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 2 LEU H 2.000 . 3.000 2.331 2.103 3.018 0.018 7 0 "[ . 1]" 1
2 1 1 LYS HB3 1 2 LEU H 4.000 . 5.000 3.997 3.083 4.618 . 0 0 "[ . 1]" 1
3 1 2 LEU H 1 2 LEU HA 2.000 . 3.000 2.864 2.494 3.010 0.010 4 0 "[ . 1]" 1
4 1 2 LEU H 1 2 LEU HB2 4.000 . 5.000 3.576 2.806 4.169 . 0 0 "[ . 1]" 1
5 1 2 LEU H 1 2 LEU HB3 3.000 . 4.000 3.293 2.292 3.693 . 0 0 "[ . 1]" 1
6 1 2 LEU H 1 2 LEU MD1 4.500 . 5.500 4.051 3.660 4.546 . 0 0 "[ . 1]" 1
7 1 2 LEU H 1 2 LEU MD2 4.500 . 5.500 3.295 2.200 4.433 . 0 0 "[ . 1]" 1
8 1 2 LEU H 1 2 LEU HG 3.000 . 4.000 2.679 1.991 3.634 . 0 0 "[ . 1]" 1
9 1 2 LEU H 1 3 PRO HD2 4.000 . 5.000 2.830 1.993 4.214 0.007 8 0 "[ . 1]" 1
10 1 2 LEU H 1 3 PRO HD3 4.000 . 5.000 3.376 2.716 4.637 . 0 0 "[ . 1]" 1
11 1 2 LEU HB2 1 3 PRO HA 4.500 . 5.500 3.384 2.075 4.548 . 0 0 "[ . 1]" 1
12 1 2 LEU HB2 1 3 PRO HD2 3.000 . 4.000 4.023 3.825 4.064 0.064 4 0 "[ . 1]" 1
13 1 2 LEU HB2 1 6 TRP HD1 4.000 . 7.000 5.688 4.384 6.705 . 0 0 "[ . 1]" 1
14 1 2 LEU HB2 1 6 TRP HE3 4.500 . 5.900 4.676 4.326 5.042 . 0 0 "[ . 1]" 1
15 1 2 LEU MD1 1 3 PRO HA 5.000 2.500 6.000 2.661 2.216 3.397 0.284 10 0 "[ . 1]" 1
16 1 2 LEU MD1 1 3 PRO HB2 4.500 . 5.500 4.340 4.288 4.372 . 0 0 "[ . 1]" 1
17 1 2 LEU MD1 1 3 PRO HB3 5.000 2.500 6.000 3.041 2.785 3.189 . 0 0 "[ . 1]" 1
18 1 2 LEU MD1 1 3 PRO HD3 5.000 2.500 6.000 2.706 2.130 4.143 0.370 6 0 "[ . 1]" 1
19 1 2 LEU MD1 1 6 TRP H 5.000 2.500 6.000 4.737 4.576 4.894 . 0 0 "[ . 1]" 1
20 1 2 LEU MD1 1 6 TRP HE3 5.000 2.500 6.900 2.313 2.175 2.489 0.325 1 0 "[ . 1]" 1
21 1 2 LEU MD1 1 7 GLU H 4.500 . 5.500 3.491 3.291 3.618 . 0 0 "[ . 1]" 1
22 1 2 LEU MD1 1 8 LYS H 4.500 . 5.500 4.605 4.563 4.647 . 0 0 "[ . 1]" 1
23 1 2 LEU MD1 1 19 TYR QD 4.000 . 5.000 2.602 2.111 2.934 . 0 0 "[ . 1]" 1
24 1 2 LEU MD1 1 19 TYR QE 5.000 2.500 6.000 4.254 3.426 4.725 . 0 0 "[ . 1]" 1
25 1 2 LEU MD1 1 20 PHE H 5.000 2.500 6.000 3.166 2.816 3.368 . 0 0 "[ . 1]" 1
26 1 2 LEU MD1 1 32 PRO HD2 5.000 2.500 6.000 3.200 2.792 3.504 . 0 0 "[ . 1]" 1
27 1 2 LEU MD2 1 19 TYR QD 5.000 2.500 6.000 3.009 2.307 3.862 0.193 9 0 "[ . 1]" 1
28 1 2 LEU MD2 1 30 GLU HA 5.000 2.500 6.000 4.799 4.645 4.977 . 0 0 "[ . 1]" 1
29 1 2 LEU HG 1 3 PRO HA 4.000 . 5.000 4.268 3.926 4.603 . 0 0 "[ . 1]" 1
30 1 2 LEU HG 1 3 PRO HD2 4.500 . 5.500 3.158 2.186 5.464 . 0 0 "[ . 1]" 1
31 1 3 PRO HA 1 3 PRO HD2 4.000 . 5.000 3.857 3.726 4.098 . 0 0 "[ . 1]" 1
32 1 3 PRO HA 1 3 PRO HD3 3.000 . 4.000 2.865 2.640 3.367 . 0 0 "[ . 1]" 1
33 1 3 PRO HA 1 3 PRO HG3 3.000 . 4.000 3.968 3.920 4.022 0.022 5 0 "[ . 1]" 1
34 1 3 PRO HA 1 6 TRP HD1 3.000 . 5.500 2.823 2.451 3.464 . 0 0 "[ . 1]" 1
35 1 3 PRO HA 1 32 PRO HG2 5.000 2.500 6.000 5.637 5.412 5.983 . 0 0 "[ . 1]" 1
36 1 3 PRO HB2 1 3 PRO HD2 4.000 . 5.000 4.276 4.196 4.316 . 0 0 "[ . 1]" 1
37 1 3 PRO HB2 1 4 PRO HD2 4.000 . 5.000 4.421 4.071 4.770 . 0 0 "[ . 1]" 1
38 1 3 PRO HB2 1 6 TRP HD1 4.000 . 6.500 3.052 2.298 3.598 . 0 0 "[ . 1]" 1
39 1 3 PRO HB2 1 6 TRP HE1 4.000 . 6.300 3.570 2.930 4.123 . 0 0 "[ . 1]" 1
40 1 3 PRO HB2 1 32 PRO HB2 4.500 . 5.500 4.917 4.627 5.501 0.001 3 0 "[ . 1]" 1
41 1 3 PRO HB2 1 32 PRO HB3 4.500 . 5.500 4.874 4.744 5.079 . 0 0 "[ . 1]" 1
42 1 3 PRO HB2 1 32 PRO HD3 4.500 . 5.500 5.517 5.412 5.538 0.038 2 0 "[ . 1]" 1
43 1 3 PRO HB2 1 32 PRO HG2 4.500 . 5.500 4.813 4.158 5.276 . 0 0 "[ . 1]" 1
44 1 3 PRO HB3 1 3 PRO HD2 4.000 . 5.000 3.693 3.635 3.749 . 0 0 "[ . 1]" 1
45 1 3 PRO HB3 1 4 PRO HD2 4.000 . 5.000 4.960 4.732 5.014 0.014 3 0 "[ . 1]" 1
46 1 3 PRO HB3 1 6 TRP H 5.000 2.500 6.000 5.144 4.837 5.455 . 0 0 "[ . 1]" 1
47 1 3 PRO HB3 1 6 TRP HD1 3.000 . 6.500 3.068 2.915 3.236 . 0 0 "[ . 1]" 1
48 1 3 PRO HB3 1 6 TRP HE1 3.000 . 6.200 3.149 2.981 3.655 . 0 0 "[ . 1]" 1
49 1 3 PRO HB3 1 32 PRO HB2 4.500 . 5.500 4.181 3.608 4.637 . 0 0 "[ . 1]" 1
50 1 3 PRO HB3 1 32 PRO HB3 4.500 . 5.500 3.805 3.417 4.000 . 0 0 "[ . 1]" 1
51 1 3 PRO HB3 1 32 PRO HD3 4.500 . 5.500 3.944 3.772 4.017 . 0 0 "[ . 1]" 1
52 1 3 PRO HB3 1 32 PRO HG2 4.500 . 5.500 3.750 3.367 4.067 . 0 0 "[ . 1]" 1
53 1 3 PRO HD2 1 3 PRO HG3 2.000 . 3.000 2.705 2.638 2.742 . 0 0 "[ . 1]" 1
54 1 3 PRO HD2 1 6 TRP HD1 4.000 . 6.500 6.237 6.126 6.497 . 0 0 "[ . 1]" 1
55 1 3 PRO HD2 1 32 PRO HB2 4.500 . 5.500 3.728 3.140 4.012 . 0 0 "[ . 1]" 1
56 1 3 PRO HD2 1 32 PRO HB3 4.000 . 5.000 2.685 2.391 3.755 . 0 0 "[ . 1]" 1
57 1 3 PRO HD2 1 32 PRO HG2 4.000 . 5.000 5.025 5.012 5.036 0.036 6 0 "[ . 1]" 1
58 1 3 PRO HD3 1 3 PRO HG2 3.000 . 4.000 3.091 3.053 3.113 . 0 0 "[ . 1]" 1
59 1 3 PRO HD3 1 3 PRO HG3 2.000 . 3.000 2.486 2.380 2.530 . 0 0 "[ . 1]" 1
60 1 3 PRO HD3 1 6 TRP HD1 4.000 . 6.500 5.068 4.771 5.706 . 0 0 "[ . 1]" 1
61 1 3 PRO HD3 1 6 TRP HE1 4.500 . 6.400 5.246 4.921 6.088 . 0 0 "[ . 1]" 1
62 1 3 PRO HD3 1 32 PRO HB2 4.000 . 5.000 3.440 2.238 3.890 . 0 0 "[ . 1]" 1
63 1 3 PRO HD3 1 32 PRO HB3 4.000 . 5.000 2.310 2.024 2.508 . 0 0 "[ . 1]" 1
64 1 3 PRO HD3 1 32 PRO HG2 4.000 . 5.000 3.964 3.857 4.133 . 0 0 "[ . 1]" 1
65 1 3 PRO HG2 1 6 TRP HE1 4.500 . 6.500 5.760 5.122 6.216 . 0 0 "[ . 1]" 1
66 1 3 PRO HG3 1 6 TRP HD1 4.000 . 6.500 5.269 4.782 5.593 . 0 0 "[ . 1]" 1
67 1 3 PRO HG3 1 6 TRP HE1 4.500 . 6.500 4.932 4.300 5.392 . 0 0 "[ . 1]" 1
68 1 3 PRO HG3 1 32 PRO HB2 4.500 . 5.500 2.495 2.185 3.032 . 0 0 "[ . 1]" 1
69 1 3 PRO HG3 1 32 PRO HB3 4.500 . 5.500 2.662 2.349 3.515 . 0 0 "[ . 1]" 1
70 1 3 PRO O 1 6 TRP H 2.300 . 2.500 2.531 2.525 2.535 0.035 6 0 "[ . 1]" 1
71 1 3 PRO O 1 6 TRP N 3.300 2.500 3.500 3.135 3.068 3.194 . 0 0 "[ . 1]" 1
72 1 4 PRO HA 1 5 GLY H 2.000 . 3.000 2.148 2.039 2.221 . 0 0 "[ . 1]" 1
73 1 4 PRO HA 1 6 TRP H 4.000 . 5.000 4.524 4.476 4.544 . 0 0 "[ . 1]" 1
74 1 4 PRO HA 1 6 TRP HD1 4.000 . 6.500 4.616 4.441 4.738 . 0 0 "[ . 1]" 1
75 1 4 PRO HB2 1 5 GLY H 4.000 . 5.000 4.076 3.905 4.182 . 0 0 "[ . 1]" 1
76 1 4 PRO HB2 1 5 GLY HA2 4.500 . 5.500 5.528 5.517 5.535 0.035 7 0 "[ . 1]" 1
77 1 4 PRO HB3 1 5 GLY H 4.000 . 5.000 4.296 4.150 4.390 . 0 0 "[ . 1]" 1
78 1 4 PRO HD2 1 6 TRP HD1 4.500 . 6.500 5.856 5.738 6.036 . 0 0 "[ . 1]" 1
79 1 4 PRO HD3 1 6 TRP HD1 4.000 . 6.500 5.800 5.671 5.917 . 0 0 "[ . 1]" 1
80 1 4 PRO HG2 1 5 GLY H 4.000 . 5.000 4.966 4.917 5.002 0.002 1 0 "[ . 1]" 1
81 1 4 PRO HG3 1 5 GLY H 5.000 2.500 6.000 5.774 5.755 5.813 . 0 0 "[ . 1]" 1
82 1 5 GLY H 1 5 GLY HA2 2.000 . 3.000 2.520 2.471 2.617 . 0 0 "[ . 1]" 1
83 1 5 GLY H 1 6 TRP H 2.000 . 3.000 2.625 2.447 2.971 . 0 0 "[ . 1]" 1
84 1 5 GLY H 1 6 TRP HD1 4.500 . 6.500 3.652 3.325 3.912 . 0 0 "[ . 1]" 1
85 1 5 GLY HA2 1 6 TRP H 3.000 . 4.000 2.976 2.891 3.125 . 0 0 "[ . 1]" 1
86 1 5 GLY HA2 1 23 ILE MD 5.000 2.500 6.000 4.338 3.279 4.882 . 0 0 "[ . 1]" 1
87 1 5 GLY HA2 1 23 ILE HG12 4.500 . 5.500 4.580 4.118 5.291 . 0 0 "[ . 1]" 1
88 1 5 GLY HA2 1 23 ILE HG13 4.500 . 5.500 4.761 3.865 5.509 0.009 1 0 "[ . 1]" 1
89 1 5 GLY HA3 1 6 TRP H 3.000 . 4.000 3.788 3.765 3.827 . 0 0 "[ . 1]" 1
90 1 5 GLY HA3 1 21 ASN HD21 3.000 . 4.000 3.839 3.445 4.002 0.002 3 0 "[ . 1]" 1
91 1 5 GLY HA3 1 21 ASN HD22 3.000 . 4.000 3.839 3.223 4.019 0.019 1 0 "[ . 1]" 1
92 1 5 GLY HA3 1 22 HIS H 4.000 . 5.000 3.658 3.215 4.249 . 0 0 "[ . 1]" 1
93 1 5 GLY HA3 1 22 HIS HE1 5.000 2.500 6.000 6.013 6.002 6.026 0.026 1 0 "[ . 1]" 1
94 1 5 GLY HA3 1 23 ILE H 5.000 2.500 6.000 3.632 3.312 4.022 . 0 0 "[ . 1]" 1
95 1 5 GLY O 1 22 HIS H 2.300 . 2.500 1.863 1.728 2.160 . 0 0 "[ . 1]" 1
96 1 5 GLY O 1 22 HIS N 3.300 2.500 3.500 2.873 2.761 3.029 . 0 0 "[ . 1]" 1
97 1 6 TRP H 1 6 TRP HA 2.000 . 3.000 2.958 2.925 2.978 . 0 0 "[ . 1]" 1
98 1 6 TRP H 1 6 TRP HB2 3.000 . 4.000 3.599 3.515 3.675 . 0 0 "[ . 1]" 1
99 1 6 TRP H 1 6 TRP HB3 2.000 . 3.000 2.607 2.516 2.723 . 0 0 "[ . 1]" 1
100 1 6 TRP H 1 7 GLU HA 4.000 . 5.000 5.059 5.054 5.069 0.069 9 0 "[ . 1]" 1
101 1 6 TRP HA 1 6 TRP HD1 4.000 . 5.000 4.727 4.621 4.823 . 0 0 "[ . 1]" 1
102 1 6 TRP HA 1 6 TRP HE3 3.000 . 4.000 4.007 4.002 4.012 0.012 9 0 "[ . 1]" 1
103 1 6 TRP HA 1 7 GLU H 2.000 . 3.000 2.356 2.265 2.541 . 0 0 "[ . 1]" 1
104 1 6 TRP HA 1 21 ASN H 4.500 . 5.500 4.599 4.231 4.886 . 0 0 "[ . 1]" 1
105 1 6 TRP HA 1 21 ASN HA 2.000 . 3.000 2.349 2.050 2.652 . 0 0 "[ . 1]" 1
106 1 6 TRP HA 1 21 ASN HB3 5.000 2.500 6.000 5.391 5.037 5.677 . 0 0 "[ . 1]" 1
107 1 6 TRP HA 1 22 HIS H 3.000 . 4.000 3.068 2.891 3.284 . 0 0 "[ . 1]" 1
108 1 6 TRP HB2 1 6 TRP HD1 3.000 . 4.000 3.974 3.927 4.003 0.003 4 0 "[ . 1]" 1
109 1 6 TRP HB2 1 6 TRP HE1 4.500 . 5.500 5.377 5.305 5.442 . 0 0 "[ . 1]" 1
110 1 6 TRP HB2 1 6 TRP HE3 2.000 . 3.000 2.384 2.334 2.418 . 0 0 "[ . 1]" 1
111 1 6 TRP HB2 1 7 GLU H 4.000 . 5.000 2.409 2.338 2.540 . 0 0 "[ . 1]" 1
112 1 6 TRP HB3 1 6 TRP HD1 3.000 . 4.000 2.985 2.871 3.065 . 0 0 "[ . 1]" 1
113 1 6 TRP HB3 1 6 TRP HE3 4.000 . 5.000 3.921 3.878 3.947 . 0 0 "[ . 1]" 1
114 1 6 TRP HB3 1 7 GLU H 4.000 . 5.000 3.787 3.724 3.922 . 0 0 "[ . 1]" 1
115 1 6 TRP HD1 1 32 PRO HB3 4.500 . 6.800 6.764 6.445 6.810 0.010 2 0 "[ . 1]" 1
116 1 6 TRP HD1 1 32 PRO HG2 4.500 . 6.800 6.151 5.543 6.353 . 0 0 "[ . 1]" 1
117 1 6 TRP HE1 1 32 PRO HB2 4.000 . 6.200 6.137 5.978 6.206 0.006 2 0 "[ . 1]" 1
118 1 6 TRP HE1 1 32 PRO HB3 4.000 . 6.200 6.198 6.163 6.210 0.010 1 0 "[ . 1]" 1
119 1 6 TRP HE1 1 32 PRO HG2 4.000 . 6.200 4.470 4.154 4.652 . 0 0 "[ . 1]" 1
120 1 6 TRP HE1 1 32 PRO HG3 4.000 . 6.200 3.807 3.721 4.001 . 0 0 "[ . 1]" 1
121 1 6 TRP HE3 1 7 GLU H 2.000 . 3.500 2.396 2.134 2.638 . 0 0 "[ . 1]" 1
122 1 6 TRP HE3 1 7 GLU HA 3.000 . 4.500 2.871 2.656 3.127 . 0 0 "[ . 1]" 1
123 1 6 TRP HE3 1 7 GLU HB3 5.000 2.500 6.500 5.045 4.912 5.103 . 0 0 "[ . 1]" 1
124 1 6 TRP HE3 1 19 TYR HA 4.000 . 5.800 4.143 3.896 4.425 . 0 0 "[ . 1]" 1
125 1 6 TRP HE3 1 19 TYR HB2 4.000 . 5.700 5.354 5.247 5.445 . 0 0 "[ . 1]" 1
126 1 6 TRP HE3 1 19 TYR HB3 4.000 . 5.700 3.694 3.559 3.866 . 0 0 "[ . 1]" 1
127 1 6 TRP HE3 1 19 TYR QD 4.000 . 5.800 3.471 3.204 4.085 . 0 0 "[ . 1]" 1
128 1 6 TRP HE3 1 20 PHE H 3.000 . 4.500 3.109 3.031 3.276 . 0 0 "[ . 1]" 1
129 1 6 TRP HE3 1 20 PHE HA 4.000 . 5.500 5.531 5.521 5.540 0.040 6 0 "[ . 1]" 1
130 1 6 TRP HE3 1 21 ASN H 5.000 2.500 6.500 6.104 5.755 6.390 . 0 0 "[ . 1]" 1
131 1 6 TRP HE3 1 21 ASN HA 4.000 . 5.900 5.538 5.387 5.641 . 0 0 "[ . 1]" 1
132 1 6 TRP HE3 1 21 ASN HB2 5.000 2.500 6.800 6.685 6.171 6.806 0.006 1 0 "[ . 1]" 1
133 1 6 TRP HE3 1 32 PRO HD3 4.500 . 6.900 5.005 4.517 5.489 . 0 0 "[ . 1]" 1
134 1 6 TRP HZ2 1 32 PRO HG2 3.000 . 4.000 4.009 4.001 4.019 0.019 3 0 "[ . 1]" 1
135 1 6 TRP HZ2 1 32 PRO HG3 3.000 . 4.000 3.999 3.960 4.014 0.014 6 0 "[ . 1]" 1
136 1 6 TRP HZ3 1 7 GLU H 4.500 . 5.500 4.591 4.374 4.811 . 0 0 "[ . 1]" 1
137 1 6 TRP HZ3 1 20 PHE H 4.000 . 5.500 4.359 4.224 4.639 . 0 0 "[ . 1]" 1
138 1 6 TRP HZ3 1 31 ARG HA 4.000 . 5.500 4.694 4.344 5.508 0.008 9 0 "[ . 1]" 1
139 1 7 GLU H 1 7 GLU HB2 3.000 . 4.000 3.572 3.446 3.889 . 0 0 "[ . 1]" 1
140 1 7 GLU H 1 7 GLU HB3 3.000 . 4.000 3.485 3.354 3.682 . 0 0 "[ . 1]" 1
141 1 7 GLU H 1 7 GLU QG 5.000 2.500 6.000 4.511 4.433 4.581 . 0 0 "[ . 1]" 1
142 1 7 GLU H 1 8 LYS H 3.000 . 4.000 3.861 3.680 4.011 0.011 5 0 "[ . 1]" 1
143 1 7 GLU H 1 19 TYR QD 4.500 . 5.500 5.416 5.311 5.443 . 0 0 "[ . 1]" 1
144 1 7 GLU H 1 20 PHE H 2.000 . 3.000 2.998 2.895 3.024 0.024 7 0 "[ . 1]" 1
145 1 7 GLU H 1 20 PHE HD2 4.500 . 5.500 4.478 3.735 4.863 . 0 0 "[ . 1]" 1
146 1 7 GLU H 1 20 PHE O 2.300 . 2.500 2.177 2.076 2.352 . 0 0 "[ . 1]" 1
147 1 7 GLU H 1 21 ASN HA 4.000 . 5.000 4.092 3.885 4.291 . 0 0 "[ . 1]" 1
148 1 7 GLU H 1 22 HIS H 4.000 . 5.000 4.922 4.611 5.023 0.023 3 0 "[ . 1]" 1
149 1 7 GLU HA 1 8 LYS H 2.000 . 3.000 2.307 2.180 2.441 . 0 0 "[ . 1]" 1
150 1 7 GLU HA 1 20 PHE H 4.000 . 5.000 4.774 4.670 5.003 0.003 3 0 "[ . 1]" 1
151 1 7 GLU HB2 1 9 ARG HE 4.500 . 5.500 4.441 3.244 5.500 0.000 8 0 "[ . 1]" 1
152 1 7 GLU HB2 1 20 PHE QB 5.000 2.500 6.000 5.360 4.655 5.802 . 0 0 "[ . 1]" 1
153 1 7 GLU HB3 1 8 LYS H 4.000 . 5.000 4.132 3.953 4.275 . 0 0 "[ . 1]" 1
154 1 7 GLU HB3 1 9 ARG HE 4.500 . 5.500 3.089 1.992 4.283 0.008 5 0 "[ . 1]" 1
155 1 7 GLU HG2 1 8 LYS H 4.000 . 5.000 3.433 2.884 4.645 . 0 0 "[ . 1]" 1
156 1 7 GLU HG3 1 8 LYS H 4.000 . 5.000 4.458 3.659 4.911 . 0 0 "[ . 1]" 1
157 1 7 GLU N 1 20 PHE O 3.300 2.500 3.500 3.014 2.951 3.093 . 0 0 "[ . 1]" 1
158 1 7 GLU O 1 20 PHE H 2.300 . 2.500 2.331 2.008 2.513 0.013 4 0 "[ . 1]" 1
159 1 7 GLU O 1 20 PHE N 3.300 2.500 3.500 3.209 2.923 3.403 . 0 0 "[ . 1]" 1
160 1 8 LYS H 1 8 LYS HA 2.000 . 3.000 2.845 2.733 2.957 . 0 0 "[ . 1]" 1
161 1 8 LYS H 1 8 LYS HB2 3.000 . 4.000 3.102 2.359 3.779 . 0 0 "[ . 1]" 1
162 1 8 LYS H 1 8 LYS HB3 3.000 . 4.000 2.439 2.211 2.642 . 0 0 "[ . 1]" 1
163 1 8 LYS H 1 8 LYS HE2 5.000 2.500 6.000 5.644 4.160 6.022 0.022 2 0 "[ . 1]" 1
164 1 8 LYS H 1 8 LYS HE3 5.000 2.500 6.000 4.823 3.026 5.883 . 0 0 "[ . 1]" 1
165 1 8 LYS HA 1 9 ARG H 2.000 . 3.000 2.346 2.256 2.437 . 0 0 "[ . 1]" 1
166 1 8 LYS HA 1 18 TYR H 4.000 . 5.000 4.914 4.740 5.011 0.011 5 0 "[ . 1]" 1
167 1 8 LYS HA 1 19 TYR HA 2.000 . 3.000 2.242 1.994 3.012 0.012 3 0 "[ . 1]" 1
168 1 8 LYS HA 1 19 TYR QD 4.500 . 5.500 3.370 2.038 4.115 . 0 0 "[ . 1]" 1
169 1 8 LYS HA 1 20 PHE H 3.000 . 4.000 3.320 2.922 3.864 . 0 0 "[ . 1]" 1
170 1 8 LYS HB2 1 9 ARG H 4.000 . 5.000 3.721 2.449 4.539 . 0 0 "[ . 1]" 1
171 1 8 LYS HB2 1 19 TYR QD 4.000 . 5.000 3.528 2.509 3.986 . 0 0 "[ . 1]" 1
172 1 8 LYS HB3 1 9 ARG H 4.000 . 5.000 4.353 3.718 4.673 . 0 0 "[ . 1]" 1
173 1 8 LYS HB3 1 19 TYR QD 4.500 . 5.500 3.862 3.007 4.859 . 0 0 "[ . 1]" 1
174 1 8 LYS HD2 1 9 ARG H 3.000 . 4.000 3.723 3.359 3.929 . 0 0 "[ . 1]" 1
175 1 8 LYS HD3 1 9 ARG H 4.000 . 5.000 4.996 4.839 5.023 0.023 3 0 "[ . 1]" 1
176 1 9 ARG H 1 9 ARG HA 2.000 . 3.000 2.978 2.946 3.006 0.006 1 0 "[ . 1]" 1
177 1 9 ARG H 1 9 ARG HB2 3.000 . 4.000 2.726 2.499 2.969 . 0 0 "[ . 1]" 1
178 1 9 ARG H 1 9 ARG HB3 3.000 . 4.000 3.761 3.381 3.959 . 0 0 "[ . 1]" 1
179 1 9 ARG H 1 9 ARG HD2 4.500 . 5.500 5.503 5.390 5.525 0.025 8 0 "[ . 1]" 1
180 1 9 ARG H 1 9 ARG QG 4.000 . 5.000 3.408 3.110 3.773 . 0 0 "[ . 1]" 1
181 1 9 ARG H 1 10 MET H 3.000 . 4.000 4.036 4.023 4.054 0.054 7 0 "[ . 1]" 1
182 1 9 ARG H 1 18 TYR H 2.000 . 3.000 3.018 3.006 3.030 0.030 5 0 "[ . 1]" 1
183 1 9 ARG H 1 18 TYR O 2.300 . 2.500 1.933 1.800 2.313 . 0 0 "[ . 1]" 1
184 1 9 ARG H 1 19 TYR HA 3.000 . 4.000 3.196 2.936 3.588 . 0 0 "[ . 1]" 1
185 1 9 ARG H 1 20 PHE H 4.500 . 5.500 4.504 4.412 4.925 . 0 0 "[ . 1]" 1
186 1 9 ARG H 1 20 PHE QB 4.000 . 5.000 4.329 3.969 4.611 . 0 0 "[ . 1]" 1
187 1 9 ARG HA 1 9 ARG HB2 3.000 . 4.000 3.082 2.994 3.122 . 0 0 "[ . 1]" 1
188 1 9 ARG HA 1 9 ARG HB3 3.000 . 4.000 2.630 2.515 2.911 . 0 0 "[ . 1]" 1
189 1 9 ARG HA 1 9 ARG HD2 4.000 . 5.000 4.094 3.321 4.696 . 0 0 "[ . 1]" 1
190 1 9 ARG HA 1 9 ARG HD3 3.000 . 4.000 3.112 2.258 4.008 0.008 6 0 "[ . 1]" 1
191 1 9 ARG HA 1 10 MET H 3.000 . 4.000 1.998 1.896 2.071 . 0 0 "[ . 1]" 1
192 1 9 ARG HA 1 18 TYR H 4.000 . 5.000 4.894 4.752 4.981 . 0 0 "[ . 1]" 1
193 1 9 ARG HB2 1 9 ARG HE 4.000 . 5.000 4.659 4.232 5.024 0.024 8 0 "[ . 1]" 1
194 1 9 ARG HB2 1 18 TYR H 4.500 . 5.500 4.067 3.723 4.487 . 0 0 "[ . 1]" 1
195 1 9 ARG HB2 1 18 TYR QD 4.500 . 5.500 3.640 3.404 4.074 . 0 0 "[ . 1]" 1
196 1 9 ARG HB2 1 18 TYR QE 5.000 2.500 6.000 3.162 2.703 3.917 . 0 0 "[ . 1]" 1
197 1 9 ARG HB3 1 9 ARG HE 4.000 . 5.000 4.450 3.857 4.819 . 0 0 "[ . 1]" 1
198 1 9 ARG HB3 1 18 TYR H 4.500 . 5.500 4.737 3.814 5.190 . 0 0 "[ . 1]" 1
199 1 9 ARG HB3 1 18 TYR QD 4.500 . 5.500 4.306 3.593 4.856 . 0 0 "[ . 1]" 1
200 1 9 ARG HB3 1 18 TYR QE 5.000 2.500 6.000 3.268 2.795 3.736 . 0 0 "[ . 1]" 1
201 1 9 ARG HD2 1 9 ARG HE 2.000 . 3.000 2.701 2.431 2.957 . 0 0 "[ . 1]" 1
202 1 9 ARG HD2 1 10 MET H 5.000 2.500 6.000 5.027 3.830 5.992 . 0 0 "[ . 1]" 1
203 1 9 ARG HD3 1 9 ARG HE 2.000 . 3.000 2.950 2.806 3.029 0.029 9 0 "[ . 1]" 1
204 1 9 ARG HD3 1 10 MET H 4.000 . 5.000 4.054 2.734 5.007 0.007 5 0 "[ . 1]" 1
205 1 9 ARG HE 1 9 ARG QG 3.000 . 4.000 2.425 2.061 2.899 . 0 0 "[ . 1]" 1
206 1 9 ARG QG 1 10 MET H 4.000 . 5.000 4.117 3.831 4.423 . 0 0 "[ . 1]" 1
207 1 9 ARG QG 1 18 TYR QE 4.500 . 5.000 3.778 3.037 4.300 . 0 0 "[ . 1]" 1
208 1 9 ARG QG 1 20 PHE H 4.500 . 5.000 3.950 3.773 4.258 . 0 0 "[ . 1]" 1
209 1 9 ARG QG 1 20 PHE HA 5.000 2.500 6.000 5.111 4.725 5.583 . 0 0 "[ . 1]" 1
210 1 9 ARG QG 1 20 PHE QB 4.000 . 5.000 2.384 2.143 2.846 . 0 0 "[ . 1]" 1
211 1 9 ARG QG 1 20 PHE HD2 4.000 . 5.000 3.115 2.436 3.755 . 0 0 "[ . 1]" 1
212 1 9 ARG N 1 18 TYR O 3.300 2.500 3.500 2.881 2.805 3.136 . 0 0 "[ . 1]" 1
213 1 9 ARG O 1 18 TYR H 2.300 . 2.500 1.775 1.725 1.892 . 0 0 "[ . 1]" 1
214 1 9 ARG O 1 18 TYR N 3.300 2.500 3.500 2.784 2.750 2.885 . 0 0 "[ . 1]" 1
215 1 10 MET H 1 10 MET HA 2.000 . 3.000 2.981 2.844 3.021 0.021 4 0 "[ . 1]" 1
216 1 10 MET H 1 10 MET HB2 3.000 . 4.000 2.521 2.239 2.673 . 0 0 "[ . 1]" 1
217 1 10 MET H 1 10 MET HB3 3.000 . 4.000 3.685 3.124 3.836 . 0 0 "[ . 1]" 1
218 1 10 MET H 1 10 MET ME 5.000 2.500 6.000 4.789 4.112 4.925 . 0 0 "[ . 1]" 1
219 1 10 MET H 1 10 MET HG2 3.000 . 4.000 3.567 2.819 4.018 0.018 3 0 "[ . 1]" 1
220 1 10 MET H 1 10 MET HG3 4.000 . 5.000 3.962 2.903 4.570 . 0 0 "[ . 1]" 1
221 1 10 MET H 1 11 SER H 4.000 . 5.000 4.573 4.382 4.682 . 0 0 "[ . 1]" 1
222 1 10 MET HA 1 11 SER H 2.000 . 3.000 2.062 1.887 2.224 . 0 0 "[ . 1]" 1
223 1 10 MET HA 1 17 VAL MG2 4.500 . 5.500 3.423 3.011 3.632 . 0 0 "[ . 1]" 1
224 1 10 MET HA 1 18 TYR H 3.000 . 4.000 3.376 2.991 3.738 . 0 0 "[ . 1]" 1
225 1 10 MET HB2 1 11 SER H 4.000 . 5.000 4.359 4.188 4.695 . 0 0 "[ . 1]" 1
226 1 10 MET HB3 1 11 SER H 4.000 . 5.000 3.367 3.082 4.163 . 0 0 "[ . 1]" 1
227 1 10 MET ME 1 11 SER H 4.000 . 5.000 3.088 2.298 4.161 . 0 0 "[ . 1]" 1
228 1 10 MET ME 1 18 TYR H 5.000 2.500 6.000 4.799 4.628 4.873 . 0 0 "[ . 1]" 1
229 1 10 MET HG2 1 11 SER H 4.000 . 5.000 4.231 3.780 5.007 0.007 4 0 "[ . 1]" 1
230 1 10 MET HG3 1 11 SER H 4.000 . 5.000 5.020 5.008 5.036 0.036 10 0 "[ . 1]" 1
231 1 11 SER H 1 11 SER HA 2.000 . 3.000 2.931 2.776 3.004 0.004 8 0 "[ . 1]" 1
232 1 11 SER H 1 11 SER HB2 3.000 . 4.000 2.863 2.433 3.870 . 0 0 "[ . 1]" 1
233 1 11 SER H 1 11 SER HB3 3.000 . 4.000 2.696 2.549 2.866 . 0 0 "[ . 1]" 1
234 1 11 SER H 1 12 ARG H 4.500 . 5.500 4.459 4.101 4.778 . 0 0 "[ . 1]" 1
235 1 11 SER H 1 15 GLY H 5.000 2.500 6.000 5.512 5.069 5.844 . 0 0 "[ . 1]" 1
236 1 11 SER H 1 16 ARG H 3.000 . 4.000 4.012 4.005 4.020 0.020 7 0 "[ . 1]" 1
237 1 11 SER H 1 16 ARG O 2.300 . 2.500 2.057 1.976 2.208 . 0 0 "[ . 1]" 1
238 1 11 SER H 1 17 VAL HA 3.000 . 4.000 2.460 2.297 2.638 . 0 0 "[ . 1]" 1
239 1 11 SER H 1 17 VAL HB 4.000 . 5.000 4.324 4.117 4.672 . 0 0 "[ . 1]" 1
240 1 11 SER H 1 17 VAL MG1 5.000 2.500 6.000 5.027 5.000 5.052 . 0 0 "[ . 1]" 1
241 1 11 SER H 1 17 VAL MG2 5.000 2.500 6.000 4.506 4.219 4.779 . 0 0 "[ . 1]" 1
242 1 11 SER H 1 18 TYR H 4.000 . 5.000 3.687 3.323 3.959 . 0 0 "[ . 1]" 1
243 1 11 SER H 1 18 TYR QD 4.500 . 5.500 3.004 2.712 3.642 . 0 0 "[ . 1]" 1
244 1 11 SER H 1 18 TYR QE 4.500 . 5.500 3.873 3.745 4.023 . 0 0 "[ . 1]" 1
245 1 11 SER HA 1 12 ARG H 3.000 . 4.000 2.179 2.110 2.307 . 0 0 "[ . 1]" 1
246 1 11 SER HA 1 13 SER H 5.000 2.500 6.000 4.245 3.625 4.502 . 0 0 "[ . 1]" 1
247 1 11 SER HA 1 18 TYR QD 4.000 . 5.000 2.672 2.084 3.323 . 0 0 "[ . 1]" 1
248 1 11 SER HA 1 18 TYR QE 3.000 . 4.000 2.234 2.105 2.349 . 0 0 "[ . 1]" 1
249 1 11 SER QB 1 12 ARG H 4.000 . 5.000 3.794 3.492 4.014 . 0 0 "[ . 1]" 1
250 1 11 SER HB2 1 14 SER H 4.500 . 5.500 5.128 3.643 5.507 0.007 4 0 "[ . 1]" 1
251 1 11 SER HB2 1 16 ARG H 4.000 . 5.000 3.468 2.523 4.405 . 0 0 "[ . 1]" 1
252 1 11 SER HB2 1 18 TYR QD 4.500 . 5.500 2.875 2.143 3.699 . 0 0 "[ . 1]" 1
253 1 11 SER HB2 1 18 TYR QE 4.000 . 5.000 4.036 3.519 4.503 . 0 0 "[ . 1]" 1
254 1 11 SER HB3 1 14 SER H 4.000 . 5.000 4.323 4.011 5.012 0.012 1 0 "[ . 1]" 1
255 1 11 SER HB3 1 15 GLY H 4.500 . 5.500 4.012 3.388 5.387 . 0 0 "[ . 1]" 1
256 1 11 SER HB3 1 16 ARG H 3.000 . 4.000 2.593 2.069 3.967 . 0 0 "[ . 1]" 1
257 1 11 SER HB3 1 18 TYR QE 4.000 . 5.000 4.732 3.550 4.999 . 0 0 "[ . 1]" 1
258 1 11 SER N 1 16 ARG O 3.300 2.500 3.500 2.912 2.799 3.060 . 0 0 "[ . 1]" 1
259 1 12 ARG H 1 12 ARG HA 2.000 . 3.000 2.939 2.725 3.011 0.011 6 0 "[ . 1]" 1
260 1 12 ARG H 1 12 ARG HB2 3.000 . 4.000 3.178 2.136 3.716 . 0 0 "[ . 1]" 1
261 1 12 ARG H 1 12 ARG HB3 4.000 . 5.000 2.956 2.513 3.728 . 0 0 "[ . 1]" 1
262 1 12 ARG H 1 12 ARG HD2 4.500 . 5.500 4.580 4.183 4.943 . 0 0 "[ . 1]" 1
263 1 12 ARG H 1 12 ARG HD3 4.500 . 5.500 4.476 3.437 5.115 . 0 0 "[ . 1]" 1
264 1 12 ARG H 1 12 ARG HG3 3.000 . 4.000 3.276 2.398 4.019 0.019 5 0 "[ . 1]" 1
265 1 12 ARG H 1 13 SER H 3.000 . 4.000 3.478 3.174 3.754 . 0 0 "[ . 1]" 1
266 1 12 ARG H 1 13 SER HB2 5.000 2.500 6.000 5.422 4.700 6.004 0.004 2 0 "[ . 1]" 1
267 1 12 ARG H 1 13 SER HB3 4.500 . 5.500 5.202 4.664 5.504 0.004 3 0 "[ . 1]" 1
268 1 12 ARG H 1 18 TYR QE 4.500 . 5.500 3.339 2.963 3.594 . 0 0 "[ . 1]" 1
269 1 12 ARG HA 1 13 SER H 3.000 . 4.000 2.697 2.356 3.377 . 0 0 "[ . 1]" 1
270 1 12 ARG HB2 1 13 SER H 4.000 . 5.000 4.355 4.117 4.492 . 0 0 "[ . 1]" 1
271 1 12 ARG HD2 1 12 ARG HE 2.000 . 3.000 2.790 2.385 3.005 0.005 2 0 "[ . 1]" 1
272 1 12 ARG HD3 1 12 ARG HE 2.000 . 3.000 2.893 2.422 3.010 0.010 4 0 "[ . 1]" 1
273 1 12 ARG HG2 1 13 SER H 4.000 . 5.000 4.670 3.659 5.018 0.018 6 0 "[ . 1]" 1
274 1 12 ARG HG3 1 13 SER H 4.000 . 5.000 4.736 3.606 5.014 0.014 5 0 "[ . 1]" 1
275 1 13 SER H 1 13 SER HB2 3.000 . 4.000 3.484 2.777 4.022 0.022 2 0 "[ . 1]" 1
276 1 13 SER H 1 13 SER HB3 3.000 . 4.000 3.096 2.487 3.641 . 0 0 "[ . 1]" 1
277 1 13 SER H 1 14 SER H 3.000 . 4.000 2.951 2.557 3.490 . 0 0 "[ . 1]" 1
278 1 13 SER HA 1 14 SER H 4.000 . 5.000 3.565 3.377 3.646 . 0 0 "[ . 1]" 1
279 1 14 SER H 1 14 SER HA 3.000 . 4.000 2.901 2.339 3.042 . 0 0 "[ . 1]" 1
280 1 14 SER H 1 14 SER HB2 3.000 . 4.000 3.498 3.089 4.022 0.022 8 0 "[ . 1]" 1
281 1 14 SER H 1 14 SER HB3 4.000 . 5.000 3.718 2.997 4.219 . 0 0 "[ . 1]" 1
282 1 14 SER H 1 15 GLY H 3.000 . 4.000 3.445 2.609 4.003 0.003 6 0 "[ . 1]" 1
283 1 14 SER H 1 16 ARG H 4.000 . 5.000 4.623 3.715 5.013 0.013 8 0 "[ . 1]" 1
284 1 14 SER HA 1 14 SER HB2 3.000 . 4.000 2.754 2.497 3.091 . 0 0 "[ . 1]" 1
285 1 14 SER HA 1 14 SER HB3 3.000 . 4.000 2.764 2.417 3.095 . 0 0 "[ . 1]" 1
286 1 14 SER HA 1 15 GLY H 3.000 . 4.000 2.406 2.130 2.911 . 0 0 "[ . 1]" 1
287 1 14 SER HA 1 16 ARG H 4.000 . 5.000 4.892 4.398 5.021 0.021 7 0 "[ . 1]" 1
288 1 15 GLY H 1 15 GLY HA2 2.000 . 3.000 2.696 2.442 2.929 . 0 0 "[ . 1]" 1
289 1 15 GLY H 1 15 GLY HA3 2.000 . 3.000 3.005 2.974 3.017 0.017 9 0 "[ . 1]" 1
290 1 15 GLY H 1 16 ARG H 2.000 . 3.000 2.723 2.292 3.009 0.009 1 0 "[ . 1]" 1
291 1 15 GLY H 1 16 ARG HA 4.000 . 5.000 4.939 4.784 5.035 0.035 5 0 "[ . 1]" 1
292 1 15 GLY HA2 1 16 ARG H 3.000 . 4.000 3.289 2.734 3.617 . 0 0 "[ . 1]" 1
293 1 15 GLY HA3 1 16 ARG H 3.000 . 4.000 2.972 2.508 3.596 . 0 0 "[ . 1]" 1
294 1 16 ARG H 1 16 ARG HA 2.000 . 3.000 3.007 2.973 3.015 0.015 8 0 "[ . 1]" 1
295 1 16 ARG H 1 16 ARG HB2 3.000 . 4.000 2.842 2.723 2.994 . 0 0 "[ . 1]" 1
296 1 16 ARG H 1 16 ARG HB3 3.000 . 4.000 3.842 3.718 4.008 0.008 6 0 "[ . 1]" 1
297 1 16 ARG H 1 16 ARG HD2 3.000 . 4.000 3.763 3.146 4.011 0.011 8 0 "[ . 1]" 1
298 1 16 ARG H 1 16 ARG HD3 3.000 . 4.000 3.894 3.548 4.016 0.016 2 0 "[ . 1]" 1
299 1 16 ARG H 1 16 ARG HG2 4.000 . 5.000 4.959 4.821 5.008 0.008 1 0 "[ . 1]" 1
300 1 16 ARG H 1 17 VAL H 4.000 . 5.000 4.370 4.227 4.498 . 0 0 "[ . 1]" 1
301 1 16 ARG HA 1 16 ARG HD2 4.000 . 5.000 2.915 2.491 3.641 . 0 0 "[ . 1]" 1
302 1 16 ARG HA 1 16 ARG HD3 4.000 . 5.000 3.888 3.604 4.471 . 0 0 "[ . 1]" 1
303 1 16 ARG HA 1 16 ARG HG2 3.000 . 4.000 3.750 3.681 3.806 . 0 0 "[ . 1]" 1
304 1 16 ARG HA 1 17 VAL H 2.000 . 3.000 2.206 2.011 2.418 . 0 0 "[ . 1]" 1
305 1 16 ARG HA 1 17 VAL HB 4.000 . 5.000 4.977 4.823 5.017 0.017 1 0 "[ . 1]" 1
306 1 16 ARG HB2 1 17 VAL H 4.500 . 5.500 3.925 3.467 4.363 . 0 0 "[ . 1]" 1
307 1 16 ARG HB3 1 16 ARG HE 4.500 . 5.500 4.646 4.501 5.033 . 0 0 "[ . 1]" 1
308 1 16 ARG HB3 1 29 TRP HE3 2.000 . 3.000 3.010 3.003 3.020 0.020 6 0 "[ . 1]" 1
309 1 16 ARG HB3 1 29 TRP HZ3 3.000 . 4.000 2.798 2.318 3.545 . 0 0 "[ . 1]" 1
310 1 16 ARG HD2 1 16 ARG HE 2.000 . 3.000 2.987 2.940 3.008 0.008 6 0 "[ . 1]" 1
311 1 16 ARG HD3 1 16 ARG HE 3.000 . 4.000 2.825 2.490 2.924 . 0 0 "[ . 1]" 1
312 1 16 ARG HD3 1 17 VAL H 4.500 . 5.500 5.486 5.303 5.512 0.012 6 0 "[ . 1]" 1
313 1 16 ARG HE 1 16 ARG HG2 3.000 . 4.000 2.480 2.315 2.963 . 0 0 "[ . 1]" 1
314 1 16 ARG HE 1 16 ARG HG3 3.000 . 4.000 2.821 2.683 3.471 . 0 0 "[ . 1]" 1
315 1 16 ARG HG2 1 17 VAL H 4.000 . 5.000 4.479 4.116 5.000 . 0 0 "[ . 1]" 1
316 1 16 ARG HG2 1 29 TRP HE3 4.000 . 5.000 3.640 3.201 4.066 . 0 0 "[ . 1]" 1
317 1 16 ARG HG2 1 29 TRP HZ3 3.000 . 4.000 3.464 2.568 4.002 0.002 2 0 "[ . 1]" 1
318 1 16 ARG HG3 1 17 VAL H 3.000 . 4.000 3.551 3.053 3.901 . 0 0 "[ . 1]" 1
319 1 16 ARG HG3 1 29 TRP HE3 4.500 . 5.500 4.061 2.953 5.199 . 0 0 "[ . 1]" 1
320 1 16 ARG HG3 1 29 TRP HZ3 4.000 . 5.000 3.148 2.333 4.914 . 0 0 "[ . 1]" 1
321 1 17 VAL H 1 17 VAL HA 2.000 . 3.000 3.005 2.985 3.019 0.019 7 0 "[ . 1]" 1
322 1 17 VAL H 1 17 VAL HB 3.000 . 4.000 3.252 3.049 3.610 . 0 0 "[ . 1]" 1
323 1 17 VAL H 1 17 VAL MG1 4.000 . 5.000 2.142 1.919 2.494 0.081 4 0 "[ . 1]" 1
324 1 17 VAL H 1 17 VAL MG2 4.000 . 5.000 3.919 3.852 3.992 . 0 0 "[ . 1]" 1
325 1 17 VAL H 1 29 TRP HZ3 4.000 . 5.000 3.281 2.156 4.435 . 0 0 "[ . 1]" 1
326 1 17 VAL HA 1 18 TYR H 2.000 . 3.000 2.204 2.125 2.384 . 0 0 "[ . 1]" 1
327 1 17 VAL HA 1 18 TYR QD 4.500 . 5.500 3.688 3.411 4.085 . 0 0 "[ . 1]" 1
328 1 17 VAL HB 1 18 TYR H 3.000 . 4.000 3.808 3.632 4.005 0.005 7 0 "[ . 1]" 1
329 1 17 VAL MG1 1 18 TYR H 4.000 . 5.000 4.057 3.718 4.217 . 0 0 "[ . 1]" 1
330 1 17 VAL MG2 1 18 TYR H 4.000 . 5.000 2.298 2.174 2.402 . 0 0 "[ . 1]" 1
331 1 17 VAL MG2 1 29 TRP HA 5.000 2.500 6.000 4.780 4.740 4.809 . 0 0 "[ . 1]" 1
332 1 18 TYR H 1 18 TYR HA 2.000 . 3.000 2.996 2.970 3.009 0.009 3 0 "[ . 1]" 1
333 1 18 TYR H 1 18 TYR HB2 3.000 . 4.000 3.989 3.916 4.021 0.021 7 0 "[ . 1]" 1
334 1 18 TYR H 1 18 TYR HB3 3.000 . 4.000 3.288 3.156 3.465 . 0 0 "[ . 1]" 1
335 1 18 TYR H 1 18 TYR QD 4.000 . 5.000 3.004 2.626 3.189 . 0 0 "[ . 1]" 1
336 1 18 TYR H 1 18 TYR QE 4.000 . 5.000 4.522 4.368 4.628 . 0 0 "[ . 1]" 1
337 1 18 TYR H 1 19 TYR H 4.500 . 5.500 4.412 4.349 4.579 . 0 0 "[ . 1]" 1
338 1 18 TYR HA 1 19 TYR H 2.000 . 3.000 2.449 2.180 2.638 . 0 0 "[ . 1]" 1
339 1 18 TYR HA 1 29 TRP HE3 3.000 . 4.000 3.232 2.655 3.748 . 0 0 "[ . 1]" 1
340 1 18 TYR HB2 1 18 TYR QD 3.000 . 4.000 2.466 2.401 2.601 . 0 0 "[ . 1]" 1
341 1 18 TYR HB2 1 19 TYR H 3.000 . 4.000 2.720 2.329 3.356 . 0 0 "[ . 1]" 1
342 1 18 TYR HB2 1 29 TRP HE3 4.000 . 5.000 4.508 3.386 5.007 0.007 3 0 "[ . 1]" 1
343 1 18 TYR HB3 1 18 TYR QD 4.000 . 5.000 2.461 2.322 2.531 . 0 0 "[ . 1]" 1
344 1 18 TYR HB3 1 29 TRP HE3 4.000 . 5.000 3.838 2.688 4.549 . 0 0 "[ . 1]" 1
345 1 18 TYR QD 1 20 PHE H 4.500 . 5.500 4.746 4.418 4.933 . 0 0 "[ . 1]" 1
346 1 18 TYR QD 1 27 SER HB2 5.000 2.500 6.000 2.802 2.298 4.163 0.202 2 0 "[ . 1]" 1
347 1 18 TYR QD 1 28 GLN H 3.000 . 4.000 3.213 3.077 3.442 . 0 0 "[ . 1]" 1
348 1 18 TYR QE 1 20 PHE H 4.500 . 5.500 5.260 5.001 5.426 . 0 0 "[ . 1]" 1
349 1 18 TYR QE 1 20 PHE HA 4.000 . 5.000 4.328 3.992 4.688 . 0 0 "[ . 1]" 1
350 1 18 TYR QE 1 20 PHE QB 3.000 . 4.000 2.350 2.218 2.565 . 0 0 "[ . 1]" 1
351 1 18 TYR QE 1 20 PHE HD1 4.000 . 5.000 3.050 2.690 4.220 . 0 0 "[ . 1]" 1
352 1 18 TYR QE 1 27 SER HA 4.000 . 5.000 3.886 3.672 4.458 . 0 0 "[ . 1]" 1
353 1 18 TYR QE 1 27 SER HB2 4.000 . 5.000 3.586 3.039 4.516 . 0 0 "[ . 1]" 1
354 1 18 TYR QE 1 27 SER HB3 4.000 . 5.000 3.086 2.715 4.238 . 0 0 "[ . 1]" 1
355 1 18 TYR QE 1 28 GLN H 4.000 . 5.000 4.969 4.955 4.978 . 0 0 "[ . 1]" 1
356 1 19 TYR H 1 19 TYR HA 3.000 . 4.000 3.080 3.058 3.103 . 0 0 "[ . 1]" 1
357 1 19 TYR H 1 19 TYR HB2 3.000 . 4.000 2.685 2.505 2.806 . 0 0 "[ . 1]" 1
358 1 19 TYR H 1 19 TYR HB3 3.000 . 4.000 3.806 3.660 3.886 . 0 0 "[ . 1]" 1
359 1 19 TYR H 1 19 TYR QD 4.000 . 5.000 3.222 2.661 4.028 . 0 0 "[ . 1]" 1
360 1 19 TYR H 1 20 PHE H 4.000 . 5.000 4.457 4.332 4.620 . 0 0 "[ . 1]" 1
361 1 19 TYR H 1 28 GLN H 3.000 . 4.000 3.056 2.551 3.526 . 0 0 "[ . 1]" 1
362 1 19 TYR H 1 28 GLN HG2 4.000 . 5.000 4.789 4.372 5.055 0.055 3 0 "[ . 1]" 1
363 1 19 TYR H 1 28 GLN O 2.300 . 2.500 1.915 1.722 2.508 0.008 2 0 "[ . 1]" 1
364 1 19 TYR H 1 29 TRP HA 4.000 . 5.000 2.820 2.136 3.291 . 0 0 "[ . 1]" 1
365 1 19 TYR H 1 29 TRP HE3 4.500 . 5.500 5.313 4.813 5.511 0.011 7 0 "[ . 1]" 1
366 1 19 TYR HA 1 19 TYR QD 4.000 . 5.000 3.023 2.060 3.281 . 0 0 "[ . 1]" 1
367 1 19 TYR HA 1 19 TYR QE 5.000 2.500 6.000 4.776 4.358 4.922 . 0 0 "[ . 1]" 1
368 1 19 TYR HA 1 20 PHE H 2.000 . 3.000 2.107 1.932 2.211 . 0 0 "[ . 1]" 1
369 1 19 TYR HB2 1 19 TYR QD 3.000 . 4.000 2.694 2.596 2.778 . 0 0 "[ . 1]" 1
370 1 19 TYR HB2 1 20 PHE H 3.000 . 4.000 4.031 4.024 4.046 0.046 3 0 "[ . 1]" 1
371 1 19 TYR HB3 1 19 TYR QD 4.000 . 5.000 2.262 2.182 2.389 . 0 0 "[ . 1]" 1
372 1 19 TYR HB3 1 27 SER HA 5.000 2.500 6.000 5.896 5.738 6.012 0.012 2 0 "[ . 1]" 1
373 1 19 TYR HB3 1 28 GLN H 4.000 . 5.000 4.838 4.568 5.022 0.022 2 0 "[ . 1]" 1
374 1 19 TYR HB3 1 30 GLU HA 4.500 . 5.500 5.504 5.436 5.521 0.021 3 0 "[ . 1]" 1
375 1 19 TYR QD 1 30 GLU H 4.000 . 5.000 3.810 3.365 4.241 . 0 0 "[ . 1]" 1
376 1 19 TYR QD 1 30 GLU HA 4.500 . 5.500 3.766 3.079 4.468 . 0 0 "[ . 1]" 1
377 1 19 TYR QD 1 31 ARG H 5.000 2.500 6.000 4.107 2.835 4.552 . 0 0 "[ . 1]" 1
378 1 19 TYR QD 1 31 ARG HG3 4.500 . 5.500 4.534 3.411 5.417 . 0 0 "[ . 1]" 1
379 1 19 TYR QD 1 32 PRO HD2 5.000 2.500 6.000 3.873 3.304 4.342 . 0 0 "[ . 1]" 1
380 1 19 TYR QE 1 30 GLU HA 4.000 . 5.000 3.890 2.936 4.958 . 0 0 "[ . 1]" 1
381 1 19 TYR QE 1 31 ARG H 5.000 2.500 6.000 3.823 3.226 4.620 . 0 0 "[ . 1]" 1
382 1 19 TYR QE 1 31 ARG QB 4.000 2.500 5.000 2.624 2.190 2.972 0.310 2 0 "[ . 1]" 1
383 1 19 TYR QE 1 31 ARG HD3 5.000 2.500 6.000 4.728 3.813 5.470 . 0 0 "[ . 1]" 1
384 1 19 TYR QE 1 31 ARG HG3 4.000 . 5.000 3.206 2.121 4.065 . 0 0 "[ . 1]" 1
385 1 19 TYR N 1 28 GLN O 3.300 2.500 3.500 2.897 2.744 3.323 . 0 0 "[ . 1]" 1
386 1 19 TYR O 1 28 GLN H 2.300 . 2.500 1.959 1.783 2.129 . 0 0 "[ . 1]" 1
387 1 19 TYR O 1 28 GLN N 3.300 2.500 3.500 2.945 2.771 3.151 . 0 0 "[ . 1]" 1
388 1 20 PHE H 1 20 PHE HA 2.000 . 3.000 3.013 3.008 3.017 0.017 3 0 "[ . 1]" 1
389 1 20 PHE H 1 20 PHE QB 3.000 . 4.000 2.526 2.382 2.630 . 0 0 "[ . 1]" 1
390 1 20 PHE H 1 21 ASN H 4.000 . 5.000 4.442 4.259 4.612 . 0 0 "[ . 1]" 1
391 1 20 PHE HA 1 20 PHE QD 5.000 2.500 6.000 2.567 2.364 2.702 0.136 9 0 "[ . 1]" 1
392 1 20 PHE HA 1 20 PHE QE 5.000 2.500 6.000 4.424 4.293 4.489 . 0 0 "[ . 1]" 1
393 1 20 PHE HA 1 21 ASN H 2.000 . 3.000 2.096 2.033 2.169 . 0 0 "[ . 1]" 1
394 1 20 PHE HA 1 21 ASN HB2 4.000 . 5.000 4.429 4.198 4.569 . 0 0 "[ . 1]" 1
395 1 20 PHE HA 1 21 ASN HB3 5.000 2.500 6.000 4.780 4.546 5.005 . 0 0 "[ . 1]" 1
396 1 20 PHE HA 1 26 ALA MB 5.000 2.500 6.000 4.533 4.371 4.819 . 0 0 "[ . 1]" 1
397 1 20 PHE HA 1 27 SER HA 2.000 . 3.000 2.666 2.551 2.797 . 0 0 "[ . 1]" 1
398 1 20 PHE HA 1 27 SER HB2 4.500 . 5.500 4.942 4.756 5.503 0.003 8 0 "[ . 1]" 1
399 1 20 PHE HA 1 27 SER HB3 4.000 . 5.000 4.376 4.014 4.715 . 0 0 "[ . 1]" 1
400 1 20 PHE HA 1 28 GLN H 4.000 . 5.000 3.575 3.270 3.804 . 0 0 "[ . 1]" 1
401 1 20 PHE HA 1 28 GLN HG2 4.500 . 5.500 4.794 4.228 5.505 0.005 2 0 "[ . 1]" 1
402 1 20 PHE QB 1 20 PHE QD 4.000 . 5.000 2.195 2.182 2.216 . 0 0 "[ . 1]" 1
403 1 20 PHE QB 1 27 SER HA 5.000 2.500 5.500 3.415 3.067 3.805 . 0 0 "[ . 1]" 1
404 1 20 PHE QB 1 27 SER HB2 4.500 . 5.500 4.489 4.016 5.333 . 0 0 "[ . 1]" 1
405 1 20 PHE QD 1 21 ASN H 5.000 2.500 6.000 3.257 2.924 3.520 . 0 0 "[ . 1]" 1
406 1 20 PHE QD 1 27 SER HB3 4.500 . 5.500 2.546 2.255 3.881 . 0 0 "[ . 1]" 1
407 1 20 PHE HD1 1 27 SER H 4.500 . 5.500 3.585 3.423 3.775 . 0 0 "[ . 1]" 1
408 1 20 PHE HD1 1 27 SER HB2 4.000 . 5.000 3.755 3.563 4.158 . 0 0 "[ . 1]" 1
409 1 20 PHE HD2 1 22 HIS H 4.000 . 5.000 4.632 4.058 5.005 0.005 3 0 "[ . 1]" 1
410 1 20 PHE HD2 1 22 HIS HA 4.000 . 5.000 3.974 3.628 4.225 . 0 0 "[ . 1]" 1
411 1 20 PHE HD2 1 22 HIS HB3 5.000 2.500 6.000 5.311 4.987 5.707 . 0 0 "[ . 1]" 1
412 1 20 PHE QE 1 25 ASN H 4.500 . 5.500 4.801 4.504 5.086 . 0 0 "[ . 1]" 1
413 1 20 PHE HE1 1 27 SER HA 4.500 . 5.500 4.242 3.962 4.543 . 0 0 "[ . 1]" 1
414 1 20 PHE HE2 1 22 HIS H 4.500 . 5.500 4.678 4.294 5.088 . 0 0 "[ . 1]" 1
415 1 20 PHE HE2 1 22 HIS HA 3.000 . 4.000 2.644 2.296 3.056 . 0 0 "[ . 1]" 1
416 1 20 PHE HE2 1 22 HIS HB2 4.000 . 5.000 5.005 5.002 5.010 0.010 9 0 "[ . 1]" 1
417 1 20 PHE HE2 1 22 HIS HB3 4.000 . 5.000 3.957 3.644 4.423 . 0 0 "[ . 1]" 1
418 1 20 PHE HZ 1 25 ASN HA 4.500 . 5.500 3.146 2.664 3.646 . 0 0 "[ . 1]" 1
419 1 21 ASN H 1 21 ASN HA 2.000 . 3.000 3.016 3.008 3.028 0.028 2 0 "[ . 1]" 1
420 1 21 ASN H 1 21 ASN HB2 2.000 . 3.000 2.618 2.484 2.859 . 0 0 "[ . 1]" 1
421 1 21 ASN H 1 21 ASN HB3 2.000 . 3.000 2.749 2.562 3.002 0.002 3 0 "[ . 1]" 1
422 1 21 ASN H 1 26 ALA H 4.000 . 5.000 2.971 2.720 3.699 . 0 0 "[ . 1]" 1
423 1 21 ASN H 1 26 ALA O 2.300 . 2.500 2.275 2.056 2.482 . 0 0 "[ . 1]" 1
424 1 21 ASN H 1 27 SER HA 3.000 . 4.000 3.941 3.729 4.009 0.009 3 0 "[ . 1]" 1
425 1 21 ASN HB2 1 21 ASN HD21 4.000 . 5.000 3.462 3.315 3.535 . 0 0 "[ . 1]" 1
426 1 21 ASN HB2 1 21 ASN HD22 4.000 . 5.000 3.984 3.934 4.023 . 0 0 "[ . 1]" 1
427 1 21 ASN HB2 1 22 HIS H 4.000 . 5.000 4.584 4.400 4.703 . 0 0 "[ . 1]" 1
428 1 21 ASN HB2 1 24 THR H 4.000 . 5.000 4.981 4.908 5.017 0.017 3 0 "[ . 1]" 1
429 1 21 ASN HB2 1 25 ASN H 4.000 . 5.000 4.593 4.379 4.818 . 0 0 "[ . 1]" 1
430 1 21 ASN HB2 1 26 ALA H 3.000 . 4.000 3.820 3.514 4.001 0.001 8 0 "[ . 1]" 1
431 1 21 ASN HB3 1 21 ASN HD21 2.000 . 3.000 2.960 2.520 3.028 0.028 9 0 "[ . 1]" 1
432 1 21 ASN HB3 1 21 ASN HD22 3.000 . 4.000 3.858 3.679 3.919 . 0 0 "[ . 1]" 1
433 1 21 ASN HB3 1 22 HIS H 4.000 . 5.000 4.239 4.056 4.400 . 0 0 "[ . 1]" 1
434 1 21 ASN HB3 1 24 THR H 4.500 . 5.500 3.760 3.523 3.927 . 0 0 "[ . 1]" 1
435 1 21 ASN HB3 1 24 THR MG 5.000 2.500 6.000 3.471 3.255 3.689 . 0 0 "[ . 1]" 1
436 1 21 ASN HB3 1 25 ASN H 4.000 . 5.000 2.890 2.667 3.132 . 0 0 "[ . 1]" 1
437 1 21 ASN HB3 1 26 ALA H 4.000 . 5.000 2.491 2.203 2.905 . 0 0 "[ . 1]" 1
438 1 21 ASN HB3 1 26 ALA MB 5.000 2.500 6.000 2.514 2.274 2.928 0.226 9 0 "[ . 1]" 1
439 1 21 ASN HD21 1 22 HIS HB3 5.000 2.500 6.000 5.317 4.804 6.002 0.002 3 0 "[ . 1]" 1
440 1 21 ASN HD21 1 23 ILE H 4.000 . 5.000 2.383 1.999 2.955 0.001 5 0 "[ . 1]" 1
441 1 21 ASN HD22 1 24 THR HB 4.000 . 5.000 3.819 3.428 5.014 0.014 5 0 "[ . 1]" 1
442 1 21 ASN HD22 1 24 THR MG 5.000 2.500 6.000 4.708 2.198 5.027 0.302 5 0 "[ . 1]" 1
443 1 21 ASN N 1 26 ALA O 3.300 2.500 3.500 3.253 3.061 3.500 . 0 0 "[ . 1]" 1
444 1 21 ASN O 1 25 ASN H 2.300 . 2.500 2.482 2.306 2.517 0.017 5 0 "[ . 1]" 1
445 1 21 ASN O 1 25 ASN N 3.300 2.500 3.500 3.149 3.028 3.197 . 0 0 "[ . 1]" 1
446 1 22 HIS H 1 22 HIS HA 2.000 . 3.000 2.948 2.807 3.001 0.001 4 0 "[ . 1]" 1
447 1 22 HIS H 1 22 HIS HB2 3.000 . 4.000 2.746 2.304 2.942 . 0 0 "[ . 1]" 1
448 1 22 HIS H 1 22 HIS HB3 3.000 . 4.000 3.716 3.554 3.800 . 0 0 "[ . 1]" 1
449 1 22 HIS H 1 22 HIS HD2 3.000 . 4.000 3.882 2.732 4.026 0.026 9 0 "[ . 1]" 1
450 1 22 HIS H 1 23 ILE H 4.000 . 5.000 2.744 2.580 3.019 . 0 0 "[ . 1]" 1
451 1 22 HIS H 1 23 ILE MD 5.000 2.500 6.000 4.931 4.813 5.004 . 0 0 "[ . 1]" 1
452 1 22 HIS H 1 23 ILE HG12 4.000 . 5.000 4.593 3.708 5.011 0.011 6 0 "[ . 1]" 1
453 1 22 HIS H 1 23 ILE HG13 5.000 2.500 6.000 4.694 3.705 6.010 0.010 9 0 "[ . 1]" 1
454 1 22 HIS HA 1 22 HIS HE1 4.000 . 5.000 5.012 5.004 5.038 0.038 1 0 "[ . 1]" 1
455 1 22 HIS HA 1 23 ILE H 3.000 . 4.000 3.533 3.482 3.586 . 0 0 "[ . 1]" 1
456 1 22 HIS HB2 1 23 ILE H 4.000 . 5.000 2.516 2.327 2.748 . 0 0 "[ . 1]" 1
457 1 22 HIS HB3 1 22 HIS HE1 5.000 2.500 6.000 5.072 4.442 5.198 . 0 0 "[ . 1]" 1
458 1 22 HIS HB3 1 23 ILE H 3.000 . 4.000 3.629 3.097 3.876 . 0 0 "[ . 1]" 1
459 1 23 ILE H 1 23 ILE HB 3.000 . 4.000 3.024 2.687 3.628 . 0 0 "[ . 1]" 1
460 1 23 ILE H 1 23 ILE MD 4.000 . 5.000 3.388 3.040 3.680 . 0 0 "[ . 1]" 1
461 1 23 ILE H 1 23 ILE HG12 2.000 . 3.000 2.587 2.014 3.023 0.023 4 0 "[ . 1]" 1
462 1 23 ILE H 1 23 ILE HG13 3.000 . 4.000 2.670 1.805 3.797 . 0 0 "[ . 1]" 1
463 1 23 ILE H 1 23 ILE MG 4.000 . 5.000 3.582 2.667 3.955 . 0 0 "[ . 1]" 1
464 1 23 ILE H 1 24 THR H 3.000 . 4.000 2.742 2.499 2.816 . 0 0 "[ . 1]" 1
465 1 23 ILE H 1 25 ASN H 3.000 . 4.000 3.972 3.715 4.014 0.014 4 0 "[ . 1]" 1
466 1 23 ILE HB 1 24 THR H 3.000 . 4.000 2.935 2.385 3.725 . 0 0 "[ . 1]" 1
467 1 23 ILE HG12 1 24 THR H 4.000 . 5.000 4.344 3.692 4.931 . 0 0 "[ . 1]" 1
468 1 24 THR H 1 24 THR HA 2.000 . 3.000 2.993 2.931 3.010 0.010 6 0 "[ . 1]" 1
469 1 24 THR H 1 24 THR HB 4.000 . 5.000 2.522 2.312 3.770 . 0 0 "[ . 1]" 1
470 1 24 THR H 1 24 THR MG 4.000 . 5.000 3.660 2.166 3.873 . 0 0 "[ . 1]" 1
471 1 24 THR H 1 25 ASN H 2.000 . 3.000 2.580 2.400 2.750 . 0 0 "[ . 1]" 1
472 1 24 THR HA 1 24 THR HB 2.000 . 3.000 2.959 2.410 3.023 0.023 9 0 "[ . 1]" 1
473 1 24 THR HB 1 26 ALA H 3.000 . 4.000 3.863 3.475 4.005 0.005 6 0 "[ . 1]" 1
474 1 24 THR HB 1 26 ALA MB 5.000 2.500 6.000 3.290 2.965 3.647 . 0 0 "[ . 1]" 1
475 1 24 THR MG 1 25 ASN H 3.000 . 4.000 3.231 3.178 3.387 . 0 0 "[ . 1]" 1
476 1 24 THR MG 1 26 ALA H 5.000 2.500 6.000 3.703 3.401 4.018 . 0 0 "[ . 1]" 1
477 1 25 ASN H 1 25 ASN HA 2.000 . 3.000 2.351 2.254 2.401 . 0 0 "[ . 1]" 1
478 1 25 ASN H 1 25 ASN HB2 4.000 . 5.000 3.617 3.395 3.953 . 0 0 "[ . 1]" 1
479 1 25 ASN H 1 25 ASN HB3 3.000 . 4.000 3.948 3.859 4.080 0.080 5 0 "[ . 1]" 1
480 1 25 ASN H 1 26 ALA H 3.000 . 4.000 2.728 2.257 2.892 . 0 0 "[ . 1]" 1
481 1 25 ASN H 1 26 ALA MB 5.000 2.500 6.000 3.925 3.816 4.059 . 0 0 "[ . 1]" 1
482 1 25 ASN HB2 1 25 ASN HD21 3.000 . 4.000 3.173 2.406 3.511 . 0 0 "[ . 1]" 1
483 1 25 ASN HB2 1 25 ASN HD22 4.000 . 5.000 3.935 3.653 4.072 . 0 0 "[ . 1]" 1
484 1 25 ASN HB2 1 26 ALA H 4.000 . 5.000 4.593 4.487 4.634 . 0 0 "[ . 1]" 1
485 1 25 ASN HB3 1 25 ASN HD21 3.000 . 4.000 2.683 2.258 3.500 . 0 0 "[ . 1]" 1
486 1 25 ASN HB3 1 25 ASN HD22 4.000 . 5.000 3.731 3.588 4.031 . 0 0 "[ . 1]" 1
487 1 25 ASN HB3 1 26 ALA H 4.000 . 5.000 4.463 4.014 4.630 . 0 0 "[ . 1]" 1
488 1 26 ALA H 1 26 ALA HA 2.000 . 3.000 3.018 2.994 3.029 0.029 3 0 "[ . 1]" 1
489 1 26 ALA H 1 26 ALA MB 4.000 . 5.000 2.644 2.284 2.807 . 0 0 "[ . 1]" 1
490 1 26 ALA H 1 27 SER H 4.000 . 5.000 3.977 3.798 4.218 . 0 0 "[ . 1]" 1
491 1 26 ALA HA 1 27 SER H 2.000 . 3.000 2.192 2.118 2.308 . 0 0 "[ . 1]" 1
492 1 26 ALA HA 1 27 SER HA 4.000 . 5.000 4.548 4.518 4.599 . 0 0 "[ . 1]" 1
493 1 26 ALA MB 1 27 SER H 4.000 . 5.000 3.525 3.198 3.716 . 0 0 "[ . 1]" 1
494 1 26 ALA MB 1 27 SER HA 4.500 . 5.500 4.487 4.361 4.557 . 0 0 "[ . 1]" 1
495 1 26 ALA MB 1 28 GLN HG2 5.000 2.500 6.000 4.539 3.424 4.858 . 0 0 "[ . 1]" 1
496 1 27 SER H 1 27 SER HA 2.000 . 3.000 3.001 2.956 3.014 0.014 8 0 "[ . 1]" 1
497 1 27 SER H 1 27 SER HB2 3.000 . 4.000 3.619 2.604 3.774 . 0 0 "[ . 1]" 1
498 1 27 SER H 1 27 SER HB3 3.000 . 4.000 2.995 2.730 3.764 . 0 0 "[ . 1]" 1
499 1 27 SER H 1 28 GLN H 4.500 . 5.500 4.483 4.233 4.627 . 0 0 "[ . 1]" 1
500 1 27 SER HA 1 28 GLN H 2.000 . 3.000 2.032 1.969 2.126 . 0 0 "[ . 1]" 1
501 1 27 SER HA 1 28 GLN HA 4.000 . 5.000 4.503 4.458 4.608 . 0 0 "[ . 1]" 1
502 1 27 SER HA 1 28 GLN HG2 4.500 . 5.500 4.244 3.700 5.102 . 0 0 "[ . 1]" 1
503 1 27 SER HB2 1 28 GLN H 3.000 . 4.000 3.293 3.032 4.005 0.005 8 0 "[ . 1]" 1
504 1 27 SER HB3 1 28 GLN H 3.000 . 4.000 3.912 2.965 4.040 0.040 3 0 "[ . 1]" 1
505 1 28 GLN H 1 28 GLN QE 4.500 . 5.500 5.053 4.384 5.207 . 0 0 "[ . 1]" 1
506 1 28 GLN H 1 28 GLN HG2 4.000 . 5.000 2.975 2.587 3.981 . 0 0 "[ . 1]" 1
507 1 28 GLN H 1 29 TRP H 4.500 . 5.500 4.293 4.180 4.459 . 0 0 "[ . 1]" 1
508 1 28 GLN HA 1 28 GLN QE 5.000 2.500 6.000 4.877 4.421 5.064 . 0 0 "[ . 1]" 1
509 1 28 GLN HA 1 29 TRP H 2.000 . 3.000 2.855 2.554 3.021 0.021 2 0 "[ . 1]" 1
510 1 28 GLN HA 1 30 GLU H 4.000 . 5.000 4.605 3.819 4.943 . 0 0 "[ . 1]" 1
511 1 28 GLN HB2 1 28 GLN QE 3.000 . 3.000 2.805 2.578 2.927 . 0 0 "[ . 1]" 1
512 1 28 GLN HB2 1 29 TRP H 3.000 . 4.000 2.170 1.896 3.123 . 0 0 "[ . 1]" 1
513 1 28 GLN HB2 1 30 GLU H 4.000 . 5.000 3.217 1.993 3.781 0.007 3 0 "[ . 1]" 1
514 1 28 GLN HB3 1 28 GLN QE 4.000 . 4.000 3.525 2.526 3.803 . 0 0 "[ . 1]" 1
515 1 28 GLN HB3 1 29 TRP H 3.000 . 4.000 3.390 2.041 3.688 . 0 0 "[ . 1]" 1
516 1 28 GLN HB3 1 30 GLU H 4.000 . 5.000 4.469 1.991 5.015 0.015 2 0 "[ . 1]" 1
517 1 28 GLN QE 1 28 GLN HG2 4.000 . 4.000 3.010 2.348 3.254 . 0 0 "[ . 1]" 1
518 1 28 GLN QE 1 28 GLN HG3 3.000 . 4.000 2.289 2.035 3.297 . 0 0 "[ . 1]" 1
519 1 28 GLN QE 1 29 TRP H 4.000 . 5.000 3.524 3.193 4.153 . 0 0 "[ . 1]" 1
520 1 28 GLN QE 1 30 GLU H 4.000 . 5.000 2.665 2.091 3.314 . 0 0 "[ . 1]" 1
521 1 28 GLN QE 1 30 GLU HB2 4.000 . 5.000 3.829 2.251 4.373 . 0 0 "[ . 1]" 1
522 1 28 GLN QE 1 30 GLU HB3 4.000 . 5.000 2.534 1.911 2.993 0.089 1 0 "[ . 1]" 1
523 1 28 GLN QE 1 30 GLU HG2 4.000 . 5.000 4.121 3.750 4.459 . 0 0 "[ . 1]" 1
524 1 28 GLN QE 1 32 PRO HA 4.500 . 5.500 4.729 4.509 4.910 . 0 0 "[ . 1]" 1
525 1 28 GLN HG2 1 29 TRP H 3.000 . 4.000 4.025 4.011 4.039 0.039 9 0 "[ . 1]" 1
526 1 28 GLN HG3 1 29 TRP H 4.000 . 5.000 3.133 2.746 4.835 . 0 0 "[ . 1]" 1
527 1 29 TRP H 1 29 TRP HA 2.000 . 3.000 3.025 3.009 3.032 0.032 10 0 "[ . 1]" 1
528 1 29 TRP H 1 29 TRP HB2 3.000 . 4.000 3.390 3.005 4.008 0.008 6 0 "[ . 1]" 1
529 1 29 TRP H 1 29 TRP HB3 3.000 . 4.000 3.057 2.501 4.016 0.016 5 0 "[ . 1]" 1
530 1 29 TRP H 1 29 TRP HD1 3.000 . 4.000 3.872 3.191 4.035 0.035 3 0 "[ . 1]" 1
531 1 29 TRP H 1 30 GLU H 2.000 . 3.000 2.145 2.010 2.496 . 0 0 "[ . 1]" 1
532 1 29 TRP HA 1 29 TRP HE3 4.000 . 5.000 3.199 2.459 4.158 . 0 0 "[ . 1]" 1
533 1 29 TRP HA 1 30 GLU H 3.000 . 4.000 3.204 2.991 3.481 . 0 0 "[ . 1]" 1
534 1 29 TRP HB2 1 29 TRP HD1 3.000 . 4.000 3.466 2.580 3.938 . 0 0 "[ . 1]" 1
535 1 29 TRP HB2 1 29 TRP HE3 3.000 . 4.000 3.028 2.495 4.031 0.031 10 0 "[ . 1]" 1
536 1 29 TRP HB2 1 30 GLU H 4.000 . 5.000 4.404 3.628 4.787 . 0 0 "[ . 1]" 1
537 1 29 TRP HB3 1 29 TRP HD1 3.000 . 4.000 2.958 2.537 3.777 . 0 0 "[ . 1]" 1
538 1 29 TRP HB3 1 29 TRP HE1 4.000 . 5.000 4.942 4.860 5.053 0.053 5 0 "[ . 1]" 1
539 1 29 TRP HB3 1 29 TRP HE3 4.000 . 5.000 3.610 2.443 4.109 . 0 0 "[ . 1]" 1
540 1 29 TRP HB3 1 30 GLU H 4.000 . 5.000 4.170 3.537 4.586 . 0 0 "[ . 1]" 1
541 1 29 TRP HD1 1 30 GLU H 4.500 . 5.500 4.627 3.729 5.509 0.009 2 0 "[ . 1]" 1
542 1 30 GLU H 1 30 GLU HA 2.000 . 3.000 3.011 2.999 3.020 0.020 4 0 "[ . 1]" 1
543 1 30 GLU H 1 30 GLU HB2 3.000 . 4.000 3.127 2.810 3.321 . 0 0 "[ . 1]" 1
544 1 30 GLU H 1 30 GLU HB3 3.000 . 4.000 2.647 2.506 2.735 . 0 0 "[ . 1]" 1
545 1 30 GLU H 1 30 GLU HG2 4.000 . 5.000 4.730 4.513 5.003 0.003 10 0 "[ . 1]" 1
546 1 30 GLU H 1 30 GLU HG3 4.000 . 5.000 4.767 4.557 5.004 0.004 5 0 "[ . 1]" 1
547 1 30 GLU H 1 31 ARG H 4.000 . 5.000 4.335 3.896 4.485 . 0 0 "[ . 1]" 1
548 1 30 GLU H 1 31 ARG HA 4.500 . 5.500 5.388 5.024 5.512 0.012 1 0 "[ . 1]" 1
549 1 30 GLU HA 1 31 ARG H 2.000 . 3.000 2.122 1.848 2.374 . 0 0 "[ . 1]" 1
550 1 30 GLU HA 1 31 ARG HA 4.000 . 5.000 4.373 3.829 4.599 . 0 0 "[ . 1]" 1
551 1 30 GLU HA 1 31 ARG QB 4.000 . 5.000 3.889 3.649 4.085 . 0 0 "[ . 1]" 1
552 1 30 GLU HB2 1 31 ARG H 4.000 . 5.000 3.954 3.645 4.479 . 0 0 "[ . 1]" 1
553 1 30 GLU HB3 1 31 ARG H 4.000 . 5.000 3.988 3.560 4.565 . 0 0 "[ . 1]" 1
554 1 30 GLU HG2 1 31 ARG H 4.000 . 5.000 3.228 2.068 3.826 . 0 0 "[ . 1]" 1
555 1 31 ARG H 1 31 ARG HA 2.000 . 3.000 2.937 2.676 3.004 0.004 1 0 "[ . 1]" 1
556 1 31 ARG H 1 31 ARG QB 3.000 . 4.000 2.220 1.981 2.797 . 0 0 "[ . 1]" 1
557 1 31 ARG H 1 31 ARG HD2 5.000 2.500 6.000 5.048 3.311 5.861 . 0 0 "[ . 1]" 1
558 1 31 ARG H 1 31 ARG HD3 4.000 . 5.000 4.015 1.998 4.790 0.002 3 0 "[ . 1]" 1
559 1 31 ARG H 1 31 ARG HG2 4.000 . 5.000 4.320 3.519 4.658 . 0 0 "[ . 1]" 1
560 1 31 ARG H 1 31 ARG HG3 4.000 . 5.000 4.139 2.336 4.644 . 0 0 "[ . 1]" 1
561 1 31 ARG H 1 32 PRO HD2 4.500 . 5.500 5.064 4.922 5.245 . 0 0 "[ . 1]" 1
562 1 31 ARG HA 1 32 PRO HD2 2.000 . 3.000 2.348 2.237 2.470 . 0 0 "[ . 1]" 1
563 1 31 ARG HA 1 32 PRO HG3 4.500 . 5.500 4.695 4.515 4.826 . 0 0 "[ . 1]" 1
564 1 31 ARG HA 1 33 SER H 3.000 . 4.000 3.995 3.747 4.042 0.042 1 0 "[ . 1]" 1
565 1 31 ARG QB 1 31 ARG HE 4.000 . 5.000 3.534 2.830 4.092 . 0 0 "[ . 1]" 1
566 1 31 ARG QB 1 32 PRO HD2 4.500 . 5.500 3.373 2.548 4.142 . 0 0 "[ . 1]" 1
567 1 31 ARG HD2 1 31 ARG HE 2.000 . 3.000 2.651 2.413 3.032 0.032 4 0 "[ . 1]" 1
568 1 31 ARG HD3 1 31 ARG HE 2.000 . 3.000 2.917 2.409 3.027 0.027 9 0 "[ . 1]" 1
569 1 31 ARG HE 1 31 ARG HG2 2.000 . 3.000 2.835 2.379 2.992 . 0 0 "[ . 1]" 1
570 1 31 ARG HE 1 31 ARG HG3 5.000 2.500 6.000 3.751 2.809 4.040 . 0 0 "[ . 1]" 1
571 1 31 ARG HG2 1 33 SER HA 4.000 . 5.000 3.843 2.587 5.031 0.031 3 0 "[ . 1]" 1
572 1 31 ARG HG3 1 32 PRO HD2 4.000 . 5.000 3.291 2.245 4.862 . 0 0 "[ . 1]" 1
573 1 32 PRO HB3 1 32 PRO HD2 4.000 . 5.000 3.866 3.773 4.033 . 0 0 "[ . 1]" 1
574 1 32 PRO HD2 1 32 PRO HG2 2.000 . 3.000 2.417 2.336 2.499 . 0 0 "[ . 1]" 1
575 1 32 PRO HD2 1 33 SER H 3.000 . 4.000 3.408 2.646 4.006 0.006 10 0 "[ . 1]" 1
576 1 32 PRO HG2 1 34 GLY H 4.000 . 5.000 4.459 3.848 5.019 0.019 3 0 "[ . 1]" 1
577 1 33 SER H 1 33 SER HB2 4.000 . 5.000 3.574 3.137 4.382 . 0 0 "[ . 1]" 1
578 1 33 SER H 1 34 GLY H 3.000 . 4.000 3.830 3.355 4.016 0.016 8 0 "[ . 1]" 1
579 1 33 SER HA 1 34 GLY H 3.000 . 4.000 3.538 3.470 3.588 . 0 0 "[ . 1]" 1
580 1 33 SER HA 1 35 ASN H 4.500 . 5.500 4.660 4.195 5.507 0.007 6 0 "[ . 1]" 1
581 1 33 SER HB2 1 34 GLY H 3.000 . 4.000 3.121 2.274 3.873 . 0 0 "[ . 1]" 1
582 1 33 SER HB3 1 34 GLY H 3.000 . 4.000 3.018 2.306 3.864 . 0 0 "[ . 1]" 1
583 1 33 SER HB3 1 35 ASN H 4.000 . 5.000 4.412 3.695 5.006 0.006 1 0 "[ . 1]" 1
584 1 34 GLY H 1 34 GLY HA2 2.000 . 3.000 2.572 2.423 2.845 . 0 0 "[ . 1]" 1
585 1 34 GLY H 1 34 GLY HA3 2.000 . 3.000 2.997 2.903 3.031 0.031 5 0 "[ . 1]" 1
586 1 34 GLY HA2 1 35 ASN H 3.000 . 4.000 3.514 3.465 3.580 . 0 0 "[ . 1]" 1
587 1 34 GLY HA3 1 35 ASN H 3.000 . 4.000 2.413 2.292 2.610 . 0 0 "[ . 1]" 1
588 1 35 ASN H 1 35 ASN HA 2.000 . 3.000 3.014 3.003 3.029 0.029 8 0 "[ . 1]" 1
589 1 35 ASN H 1 35 ASN HB2 2.000 . 3.000 2.839 2.525 3.013 0.013 5 0 "[ . 1]" 1
590 1 35 ASN H 1 35 ASN HB3 4.000 . 5.000 3.795 2.878 4.041 . 0 0 "[ . 1]" 1
591 1 35 ASN HB2 1 35 ASN HD21 4.000 . 5.000 2.840 2.262 3.599 . 0 0 "[ . 1]" 1
592 1 36 SER H 1 36 SER HA 3.000 . 4.000 2.943 2.295 3.081 . 0 0 "[ . 1]" 1
593 1 36 SER H 1 36 SER HB2 3.000 . 4.000 3.029 2.299 3.749 . 0 0 "[ . 1]" 1
594 1 36 SER H 1 36 SER HB3 3.000 . 4.000 2.842 2.357 3.662 . 0 0 "[ . 1]" 1
595 1 36 SER HA 1 38 SER H 4.000 . 5.000 4.610 3.758 5.022 0.022 5 0 "[ . 1]" 1
596 1 37 SER H 1 37 SER HA 2.000 . 3.000 2.774 2.345 3.014 0.014 2 0 "[ . 1]" 1
597 1 37 SER H 1 37 SER HB2 3.000 . 4.000 3.290 2.525 3.865 . 0 0 "[ . 1]" 1
598 1 37 SER H 1 37 SER HB3 3.000 . 4.000 3.284 2.516 3.896 . 0 0 "[ . 1]" 1
599 1 37 SER HB2 1 38 SER H 3.000 . 4.000 3.724 3.095 4.012 0.012 7 0 "[ . 1]" 1
600 1 37 SER HB3 1 38 SER H 3.000 . 4.000 2.991 2.090 4.008 0.008 4 0 "[ . 1]" 1
601 1 38 SER H 1 38 SER HB3 3.000 . 4.000 3.705 2.996 4.054 0.054 1 0 "[ . 1]" 1
602 1 38 SER H 1 39 GLY HA2 4.000 . 5.000 4.527 3.718 5.013 0.013 8 0 "[ . 1]" 1
603 1 38 SER H 1 39 GLY HA3 4.000 . 5.000 4.470 3.456 5.033 0.033 1 0 "[ . 1]" 1
604 1 39 GLY H 1 39 GLY HA2 2.000 . 3.000 2.944 2.765 3.021 0.021 3 0 "[ . 1]" 1
605 1 39 GLY H 1 39 GLY HA3 2.000 . 3.000 2.770 2.585 2.995 . 0 0 "[ . 1]" 1
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