NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513695 |
2kzy   |
17023 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzy
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 585
_Distance_constraint_stats_list.Viol_count 328
_Distance_constraint_stats_list.Viol_total 401.541
_Distance_constraint_stats_list.Viol_max 0.199
_Distance_constraint_stats_list.Viol_rms 0.0130
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0612
_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 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 MET 0.844 0.125 14 0 "[ . 1 . 2]"
1 15 LEU 1.986 0.194 7 0 "[ . 1 . 2]"
1 16 CYS 1.860 0.199 20 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 1.251 0.141 11 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.415 0.109 12 0 "[ . 1 . 2]"
1 22 PHE 1.412 0.133 14 0 "[ . 1 . 2]"
1 23 TYR 1.642 0.121 7 0 "[ . 1 . 2]"
1 24 GLY 2.102 0.142 8 0 "[ . 1 . 2]"
1 25 ASN 2.337 0.162 13 0 "[ . 1 . 2]"
1 26 PRO 2.610 0.184 14 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 2.733 0.162 13 0 "[ . 1 . 2]"
1 29 ASN 0.568 0.091 7 0 "[ . 1 . 2]"
1 30 GLY 3.989 0.193 15 0 "[ . 1 . 2]"
1 31 MET 1.862 0.193 15 0 "[ . 1 . 2]"
1 32 CYS 1.844 0.199 20 0 "[ . 1 . 2]"
1 33 SER 0.903 0.121 11 0 "[ . 1 . 2]"
1 34 VAL 1.193 0.083 7 0 "[ . 1 . 2]"
1 35 CYS 0.833 0.082 9 0 "[ . 1 . 2]"
1 36 TYR 1.357 0.093 18 0 "[ . 1 . 2]"
1 37 LYS 2.704 0.168 13 0 "[ . 1 . 2]"
1 38 GLU 0.314 0.076 12 0 "[ . 1 . 2]"
1 39 HIS 4.149 0.168 13 0 "[ . 1 . 2]"
1 40 LEU 0.536 0.098 3 0 "[ . 1 . 2]"
1 41 GLN 0.223 0.098 3 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLN 0.007 0.007 5 0 "[ . 1 . 2]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 0.000 0.000 . 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 8 ASN HB3 1 8 ASN HD22 4.000 . 6.500 3.743 3.511 4.121 . 0 0 "[ . 1 . 2]" 1
2 1 10 THR HA 1 11 PRO HD2 2.800 . 6.300 2.475 2.002 2.805 . 0 0 "[ . 1 . 2]" 1
3 1 10 THR HA 1 11 PRO HD3 4.000 . 6.500 2.342 2.026 2.855 . 0 0 "[ . 1 . 2]" 1
4 1 11 PRO HA 1 12 GLY H 2.800 . 3.600 2.305 2.179 2.617 . 0 0 "[ . 1 . 2]" 1
5 1 11 PRO HB3 1 11 PRO HD2 4.000 . 6.500 3.908 3.855 3.936 . 0 0 "[ . 1 . 2]" 1
6 1 12 GLY HA2 1 13 PRO HD2 4.000 . 6.500 3.511 2.642 4.253 . 0 0 "[ . 1 . 2]" 1
7 1 12 GLY HA2 1 13 PRO HD3 4.000 . 6.500 3.777 3.373 4.263 . 0 0 "[ . 1 . 2]" 1
8 1 12 GLY HA3 1 13 PRO HD2 4.000 . 6.500 3.488 2.865 4.081 . 0 0 "[ . 1 . 2]" 1
9 1 12 GLY HA3 1 13 PRO HD3 4.000 . 6.500 3.132 2.264 4.181 . 0 0 "[ . 1 . 2]" 1
10 1 13 PRO HA 1 13 PRO HG2 4.000 . 6.500 3.901 3.860 3.996 . 0 0 "[ . 1 . 2]" 1
11 1 13 PRO HA 1 13 PRO HG3 4.000 . 6.500 3.911 3.081 4.032 . 0 0 "[ . 1 . 2]" 1
12 1 13 PRO HA 1 14 MET H 2.800 . 3.600 2.508 2.240 3.584 . 0 0 "[ . 1 . 2]" 1
13 1 13 PRO HB2 1 13 PRO HD2 4.000 . 6.500 3.906 2.993 4.065 . 0 0 "[ . 1 . 2]" 1
14 1 13 PRO HB2 1 13 PRO HG3 2.800 . 5.300 2.709 2.657 2.977 . 0 0 "[ . 1 . 2]" 1
15 1 13 PRO HB3 1 13 PRO HD2 4.000 . 6.500 3.905 3.878 3.941 . 0 0 "[ . 1 . 2]" 1
16 1 13 PRO HB3 1 13 PRO HD3 4.000 . 6.500 3.196 2.944 4.044 . 0 0 "[ . 1 . 2]" 1
17 1 13 PRO HB3 1 13 PRO HG2 2.500 . 5.000 2.943 2.663 2.985 . 0 0 "[ . 1 . 2]" 1
18 1 13 PRO HB3 1 14 MET H 4.000 . 6.500 4.421 3.575 4.631 . 0 0 "[ . 1 . 2]" 1
19 1 13 PRO HD2 1 13 PRO HG3 2.800 . 5.300 2.783 2.685 3.001 . 0 0 "[ . 1 . 2]" 1
20 1 13 PRO HD3 1 13 PRO HG2 2.800 . 5.300 2.954 2.714 3.013 . 0 0 "[ . 1 . 2]" 1
21 1 14 MET H 1 14 MET HB3 2.800 . 4.800 3.521 3.362 3.597 . 0 0 "[ . 1 . 2]" 1
22 1 14 MET H 1 14 MET HG2 4.000 . 6.500 3.153 2.339 4.300 . 0 0 "[ . 1 . 2]" 1
23 1 14 MET H 1 15 LEU H 4.000 . 5.000 4.027 3.737 4.259 . 0 0 "[ . 1 . 2]" 1
24 1 14 MET H 1 15 LEU MD1 5.000 . 6.500 5.199 4.060 6.439 . 0 0 "[ . 1 . 2]" 1
25 1 14 MET H 1 24 GLY H 4.000 . 4.800 4.828 4.730 4.925 0.125 14 0 "[ . 1 . 2]" 1
26 1 14 MET HA 1 14 MET HB3 2.800 . 5.300 2.631 2.507 2.807 . 0 0 "[ . 1 . 2]" 1
27 1 14 MET HA 1 14 MET HG2 4.000 . 6.500 2.609 2.064 3.536 . 0 0 "[ . 1 . 2]" 1
28 1 14 MET HA 1 15 LEU H 2.500 . 3.300 2.335 2.219 2.523 . 0 0 "[ . 1 . 2]" 1
29 1 14 MET HA 1 15 LEU HB3 4.000 . 6.000 5.550 5.336 5.856 . 0 0 "[ . 1 . 2]" 1
30 1 14 MET HA 1 15 LEU MD1 5.000 . 6.500 5.080 4.102 5.937 . 0 0 "[ . 1 . 2]" 1
31 1 14 MET HA 1 15 LEU MD2 5.000 . 6.500 5.465 4.017 6.377 . 0 0 "[ . 1 . 2]" 1
32 1 14 MET HA 1 23 TYR QD 5.000 . 6.500 5.958 5.383 6.407 . 0 0 "[ . 1 . 2]" 1
33 1 14 MET HB3 1 15 LEU H 2.800 . 4.500 4.151 3.925 4.334 . 0 0 "[ . 1 . 2]" 1
34 1 14 MET HB3 1 23 TYR QD 5.000 . 6.500 5.673 4.898 6.500 . 0 0 "[ . 1 . 2]" 1
35 1 14 MET HB3 1 23 TYR QE 6.000 . 6.500 5.048 4.135 5.998 . 0 0 "[ . 1 . 2]" 1
36 1 14 MET HB3 1 24 GLY H 5.000 . 6.500 4.015 3.302 4.633 . 0 0 "[ . 1 . 2]" 1
37 1 14 MET HG2 1 15 LEU H 5.000 . 6.500 4.851 4.379 5.847 . 0 0 "[ . 1 . 2]" 1
38 1 14 MET HG2 1 24 GLY H 5.000 . 6.500 6.276 5.991 6.582 0.082 13 0 "[ . 1 . 2]" 1
39 1 15 LEU H 1 15 LEU HB3 2.800 . 4.800 3.319 2.955 3.540 . 0 0 "[ . 1 . 2]" 1
40 1 15 LEU H 1 15 LEU MD1 5.000 . 6.500 3.442 2.584 4.185 . 0 0 "[ . 1 . 2]" 1
41 1 15 LEU H 1 15 LEU MD2 5.000 . 6.500 3.700 2.445 4.353 . 0 0 "[ . 1 . 2]" 1
42 1 15 LEU H 1 16 CYS H 5.000 . 6.500 4.620 4.595 4.632 . 0 0 "[ . 1 . 2]" 1
43 1 15 LEU H 1 24 GLY H 5.000 . 6.500 4.705 4.513 4.889 . 0 0 "[ . 1 . 2]" 1
44 1 15 LEU HA 1 15 LEU HB3 2.800 . 5.300 2.817 2.630 2.973 . 0 0 "[ . 1 . 2]" 1
45 1 15 LEU HA 1 15 LEU MD1 4.000 . 6.500 2.358 1.963 3.734 . 0 0 "[ . 1 . 2]" 1
46 1 15 LEU HA 1 15 LEU MD2 4.000 . 6.500 3.010 1.968 3.731 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU HA 1 15 LEU HG 4.000 . 6.500 2.753 2.161 3.595 . 0 0 "[ . 1 . 2]" 1
48 1 15 LEU HA 1 16 CYS H 2.500 . 3.700 2.246 2.196 2.290 . 0 0 "[ . 1 . 2]" 1
49 1 15 LEU HA 1 16 CYS HB2 4.000 . 6.000 4.450 4.396 4.545 . 0 0 "[ . 1 . 2]" 1
50 1 15 LEU HA 1 16 CYS HB3 4.000 . 6.000 5.054 5.000 5.122 . 0 0 "[ . 1 . 2]" 1
51 1 15 LEU HA 1 23 TYR HA 3.000 . 4.000 2.832 2.579 3.150 . 0 0 "[ . 1 . 2]" 1
52 1 15 LEU HA 1 23 TYR QD 4.000 . 4.500 3.739 3.304 4.250 . 0 0 "[ . 1 . 2]" 1
53 1 15 LEU HA 1 24 GLY H 4.000 . 4.800 2.890 2.554 3.136 . 0 0 "[ . 1 . 2]" 1
54 1 15 LEU HB3 1 15 LEU MD1 2.800 . 5.300 2.820 2.164 3.213 . 0 0 "[ . 1 . 2]" 1
55 1 15 LEU HB3 1 15 LEU MD2 2.800 . 5.300 2.565 2.190 3.231 . 0 0 "[ . 1 . 2]" 1
56 1 15 LEU HB3 1 16 CYS H 2.800 . 4.500 3.222 2.877 3.576 . 0 0 "[ . 1 . 2]" 1
57 1 15 LEU HB3 1 21 GLY H 5.000 . 6.500 5.160 4.282 5.874 . 0 0 "[ . 1 . 2]" 1
58 1 15 LEU HB3 1 22 PHE H 5.000 . 6.500 5.796 4.941 6.507 0.007 19 0 "[ . 1 . 2]" 1
59 1 15 LEU HB3 1 23 TYR HA 4.000 . 6.500 5.361 4.752 5.799 . 0 0 "[ . 1 . 2]" 1
60 1 15 LEU MD1 1 16 CYS H 3.000 . 4.500 3.510 2.090 4.694 0.194 7 0 "[ . 1 . 2]" 1
61 1 15 LEU MD1 1 21 GLY H 5.000 . 6.500 5.021 3.156 6.228 . 0 0 "[ . 1 . 2]" 1
62 1 15 LEU MD1 1 21 GLY HA2 4.000 . 6.500 4.348 2.715 5.418 . 0 0 "[ . 1 . 2]" 1
63 1 15 LEU MD1 1 21 GLY HA3 5.000 . 6.500 5.596 3.981 6.572 0.072 17 0 "[ . 1 . 2]" 1
64 1 15 LEU MD1 1 22 PHE H 5.000 . 6.500 4.818 3.138 5.786 . 0 0 "[ . 1 . 2]" 1
65 1 15 LEU MD1 1 23 TYR H 6.000 . 6.500 4.831 3.591 6.563 0.063 15 0 "[ . 1 . 2]" 1
66 1 15 LEU MD1 1 23 TYR HA 4.000 . 6.500 3.123 2.108 5.060 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU MD1 1 23 TYR QD 4.000 . 4.500 3.098 2.147 4.621 0.121 7 0 "[ . 1 . 2]" 1
68 1 15 LEU MD1 1 23 TYR QE 5.000 . 6.500 4.045 2.985 5.513 . 0 0 "[ . 1 . 2]" 1
69 1 15 LEU MD1 1 24 GLY H 5.000 . 6.500 4.123 3.351 5.942 . 0 0 "[ . 1 . 2]" 1
70 1 15 LEU MD2 1 16 CYS H 6.000 . 6.500 3.885 2.059 4.377 . 0 0 "[ . 1 . 2]" 1
71 1 15 LEU MD2 1 21 GLY H 6.000 . 6.500 4.760 3.284 6.187 . 0 0 "[ . 1 . 2]" 1
72 1 15 LEU MD2 1 21 GLY HA2 4.000 . 6.500 3.964 2.864 5.420 . 0 0 "[ . 1 . 2]" 1
73 1 15 LEU MD2 1 21 GLY HA3 5.000 . 6.500 5.303 4.219 6.609 0.109 12 0 "[ . 1 . 2]" 1
74 1 15 LEU MD2 1 23 TYR QD 6.000 . 6.500 3.915 2.312 4.981 . 0 0 "[ . 1 . 2]" 1
75 1 15 LEU MD2 1 23 TYR QE 5.000 . 5.500 4.797 3.311 5.600 0.100 19 0 "[ . 1 . 2]" 1
76 1 15 LEU HG 1 23 TYR QD 5.000 . 6.500 4.538 3.247 5.797 . 0 0 "[ . 1 . 2]" 1
77 1 15 LEU HG 1 23 TYR QE 5.000 . 6.500 5.716 3.960 6.580 0.080 8 0 "[ . 1 . 2]" 1
78 1 15 LEU HG 1 24 GLY H 5.000 . 6.500 5.276 4.391 6.642 0.142 8 0 "[ . 1 . 2]" 1
79 1 16 CYS H 1 16 CYS HA 2.800 . 3.600 2.724 2.669 2.764 . 0 0 "[ . 1 . 2]" 1
80 1 16 CYS H 1 16 CYS HB2 2.800 . 4.800 2.273 2.187 2.355 . 0 0 "[ . 1 . 2]" 1
81 1 16 CYS H 1 16 CYS HB3 2.800 . 4.800 2.875 2.829 2.953 . 0 0 "[ . 1 . 2]" 1
82 1 16 CYS H 1 17 SER H 5.000 . 6.500 4.545 4.442 4.615 . 0 0 "[ . 1 . 2]" 1
83 1 16 CYS H 1 21 GLY H 4.000 . 4.800 4.563 3.981 4.808 0.008 4 0 "[ . 1 . 2]" 1
84 1 16 CYS H 1 23 TYR HA 2.800 . 3.600 3.574 3.456 3.682 0.082 15 0 "[ . 1 . 2]" 1
85 1 16 CYS H 1 23 TYR QD 5.000 . 6.500 5.232 4.940 5.499 . 0 0 "[ . 1 . 2]" 1
86 1 16 CYS H 1 24 GLY H 4.000 . 4.500 3.623 3.381 3.991 . 0 0 "[ . 1 . 2]" 1
87 1 16 CYS H 1 24 GLY HA3 5.000 . 6.500 3.911 3.534 4.429 . 0 0 "[ . 1 . 2]" 1
88 1 16 CYS H 1 31 MET HA 5.000 . 6.500 5.027 4.460 5.517 . 0 0 "[ . 1 . 2]" 1
89 1 16 CYS H 1 32 CYS H 5.000 . 6.500 5.093 4.709 5.423 . 0 0 "[ . 1 . 2]" 1
90 1 16 CYS H 1 32 CYS HA 5.000 . 6.500 5.938 5.489 6.223 . 0 0 "[ . 1 . 2]" 1
91 1 16 CYS H 1 32 CYS HB2 4.500 2.300 6.000 6.042 5.935 6.199 0.199 20 0 "[ . 1 . 2]" 1
92 1 16 CYS HA 1 17 SER H 2.500 . 3.300 2.133 2.091 2.176 . 0 0 "[ . 1 . 2]" 1
93 1 16 CYS HA 1 18 THR H 4.000 . 4.800 3.810 3.621 3.975 . 0 0 "[ . 1 . 2]" 1
94 1 16 CYS HA 1 24 GLY H 4.000 . 4.800 4.618 4.159 4.839 0.039 20 0 "[ . 1 . 2]" 1
95 1 16 CYS HA 1 31 MET HA 3.000 . 4.500 2.546 2.016 2.959 . 0 0 "[ . 1 . 2]" 1
96 1 16 CYS HA 1 32 CYS H 4.500 2.300 5.000 3.539 3.096 3.886 . 0 0 "[ . 1 . 2]" 1
97 1 16 CYS HB2 1 17 SER H 4.000 . 6.500 4.304 4.157 4.445 . 0 0 "[ . 1 . 2]" 1
98 1 16 CYS HB2 1 18 THR H 4.000 . 6.500 4.579 4.464 4.782 . 0 0 "[ . 1 . 2]" 1
99 1 16 CYS HB2 1 20 CYS H 4.000 . 6.500 3.775 3.389 4.137 . 0 0 "[ . 1 . 2]" 1
100 1 16 CYS HB2 1 22 PHE H 5.000 . 6.500 3.417 3.132 3.647 . 0 0 "[ . 1 . 2]" 1
101 1 16 CYS HB2 1 24 GLY H 5.000 . 6.500 4.850 4.465 5.147 . 0 0 "[ . 1 . 2]" 1
102 1 16 CYS HB2 1 31 MET HA 4.000 . 6.500 4.124 3.674 4.468 . 0 0 "[ . 1 . 2]" 1
103 1 16 CYS HB2 1 32 CYS H 4.000 . 6.500 3.405 3.074 3.691 . 0 0 "[ . 1 . 2]" 1
104 1 16 CYS HB2 1 32 CYS HA 5.000 . 6.500 4.887 4.609 5.089 . 0 0 "[ . 1 . 2]" 1
105 1 16 CYS HB2 1 32 CYS HB2 4.000 . 6.500 4.569 4.369 4.776 . 0 0 "[ . 1 . 2]" 1
106 1 16 CYS HB2 1 32 CYS HB3 2.800 . 5.300 3.093 2.648 5.099 . 0 0 "[ . 1 . 2]" 1
107 1 16 CYS HB3 1 17 SER H 4.000 . 6.500 4.014 3.876 4.179 . 0 0 "[ . 1 . 2]" 1
108 1 16 CYS HB3 1 19 GLY H 5.000 . 6.500 2.807 2.635 3.132 . 0 0 "[ . 1 . 2]" 1
109 1 16 CYS HB3 1 20 CYS H 2.800 . 4.500 2.296 2.034 2.615 . 0 0 "[ . 1 . 2]" 1
110 1 16 CYS HB3 1 22 PHE H 5.000 . 6.500 3.608 3.336 3.838 . 0 0 "[ . 1 . 2]" 1
111 1 16 CYS HB3 1 31 MET HA 5.000 . 6.500 4.822 4.394 5.199 . 0 0 "[ . 1 . 2]" 1
112 1 16 CYS HB3 1 32 CYS H 4.000 . 6.500 4.549 4.330 4.905 . 0 0 "[ . 1 . 2]" 1
113 1 16 CYS HB3 1 32 CYS HB2 4.000 . 6.500 6.128 5.859 6.396 . 0 0 "[ . 1 . 2]" 1
114 1 17 SER H 1 17 SER HA 2.800 . 3.600 2.824 2.790 2.855 . 0 0 "[ . 1 . 2]" 1
115 1 17 SER H 1 17 SER HB2 4.000 . 6.000 2.515 2.093 2.785 . 0 0 "[ . 1 . 2]" 1
116 1 17 SER H 1 17 SER HB3 2.800 . 4.800 3.571 3.348 3.609 . 0 0 "[ . 1 . 2]" 1
117 1 17 SER H 1 18 THR H 4.000 . 4.500 2.706 2.615 2.838 . 0 0 "[ . 1 . 2]" 1
118 1 17 SER H 1 18 THR MG 5.000 . 6.500 4.012 3.857 4.184 . 0 0 "[ . 1 . 2]" 1
119 1 17 SER H 1 19 GLY H 4.000 . 4.800 4.212 4.050 4.383 . 0 0 "[ . 1 . 2]" 1
120 1 17 SER H 1 24 GLY HA3 4.000 . 5.500 4.814 4.359 5.152 . 0 0 "[ . 1 . 2]" 1
121 1 17 SER H 1 31 MET H 5.000 . 6.500 5.079 4.569 5.419 . 0 0 "[ . 1 . 2]" 1
122 1 17 SER H 1 31 MET HA 3.000 . 4.000 2.846 2.548 3.304 . 0 0 "[ . 1 . 2]" 1
123 1 17 SER H 1 31 MET ME 5.000 . 6.500 4.519 3.796 5.185 . 0 0 "[ . 1 . 2]" 1
124 1 17 SER H 1 31 MET HG2 4.000 . 6.500 3.531 2.018 5.354 . 0 0 "[ . 1 . 2]" 1
125 1 17 SER H 1 32 CYS H 5.000 . 6.500 4.618 4.232 5.075 . 0 0 "[ . 1 . 2]" 1
126 1 17 SER HA 1 18 THR H 4.000 . 4.800 3.510 3.490 3.530 . 0 0 "[ . 1 . 2]" 1
127 1 17 SER HA 1 18 THR MG 5.000 . 6.500 4.849 4.626 4.968 . 0 0 "[ . 1 . 2]" 1
128 1 17 SER HB2 1 18 THR H 5.000 . 6.500 3.025 2.790 3.339 . 0 0 "[ . 1 . 2]" 1
129 1 17 SER HB3 1 18 THR H 5.000 . 6.500 3.923 3.272 4.177 . 0 0 "[ . 1 . 2]" 1
130 1 17 SER HB3 1 31 MET ME 5.000 . 6.500 3.889 3.155 5.445 . 0 0 "[ . 1 . 2]" 1
131 1 18 THR H 1 18 THR HB 4.000 . 6.500 3.629 3.600 3.689 . 0 0 "[ . 1 . 2]" 1
132 1 18 THR H 1 18 THR MG 2.800 . 4.500 2.248 2.046 2.470 . 0 0 "[ . 1 . 2]" 1
133 1 18 THR H 1 19 GLY H 2.800 . 3.300 2.581 2.499 2.715 . 0 0 "[ . 1 . 2]" 1
134 1 18 THR H 1 19 GLY HA2 5.000 . 6.500 4.883 4.767 5.028 . 0 0 "[ . 1 . 2]" 1
135 1 18 THR H 1 20 CYS H 4.000 . 4.800 4.101 3.915 4.315 . 0 0 "[ . 1 . 2]" 1
136 1 18 THR H 1 31 MET HA 5.000 . 6.500 4.349 4.103 4.663 . 0 0 "[ . 1 . 2]" 1
137 1 18 THR H 1 31 MET ME 6.000 . 6.500 4.350 3.998 5.161 . 0 0 "[ . 1 . 2]" 1
138 1 18 THR H 1 31 MET HG2 4.000 . 6.500 3.669 2.540 4.508 . 0 0 "[ . 1 . 2]" 1
139 1 18 THR H 1 32 CYS H 5.000 . 6.500 5.150 5.017 5.302 . 0 0 "[ . 1 . 2]" 1
140 1 18 THR HA 1 19 GLY H 4.000 . 4.800 3.437 3.362 3.488 . 0 0 "[ . 1 . 2]" 1
141 1 18 THR HA 1 20 CYS H 5.000 . 6.500 5.109 4.774 5.338 . 0 0 "[ . 1 . 2]" 1
142 1 18 THR HA 1 31 MET ME 5.000 . 6.500 4.992 4.525 6.023 . 0 0 "[ . 1 . 2]" 1
143 1 18 THR HB 1 19 GLY H 4.000 . 6.500 4.213 4.089 4.422 . 0 0 "[ . 1 . 2]" 1
144 1 18 THR HB 1 20 CYS H 4.000 . 6.500 4.611 4.055 5.149 . 0 0 "[ . 1 . 2]" 1
145 1 18 THR MG 1 19 GLY H 4.000 . 4.500 4.115 4.008 4.182 . 0 0 "[ . 1 . 2]" 1
146 1 18 THR MG 1 20 CYS H 5.000 . 6.500 4.860 4.534 5.240 . 0 0 "[ . 1 . 2]" 1
147 1 18 THR MG 1 31 MET HA 5.000 . 6.500 4.520 3.751 5.129 . 0 0 "[ . 1 . 2]" 1
148 1 18 THR MG 1 31 MET HB2 5.000 . 6.500 4.636 4.302 5.099 . 0 0 "[ . 1 . 2]" 1
149 1 18 THR MG 1 31 MET ME 4.000 . 4.500 2.775 2.142 3.455 . 0 0 "[ . 1 . 2]" 1
150 1 18 THR MG 1 31 MET HG2 4.000 . 4.500 2.771 2.106 3.925 . 0 0 "[ . 1 . 2]" 1
151 1 18 THR MG 1 32 CYS H 4.000 . 5.000 4.879 4.365 5.083 0.083 7 0 "[ . 1 . 2]" 1
152 1 18 THR MG 1 35 CYS H 6.000 . 6.500 5.451 5.073 6.394 . 0 0 "[ . 1 . 2]" 1
153 1 18 THR MG 1 35 CYS HA 5.000 . 6.500 4.240 3.855 5.019 . 0 0 "[ . 1 . 2]" 1
154 1 18 THR MG 1 35 CYS HB2 4.000 . 6.500 3.660 3.175 4.531 . 0 0 "[ . 1 . 2]" 1
155 1 18 THR MG 1 35 CYS HB3 4.000 . 6.500 2.496 2.038 3.333 . 0 0 "[ . 1 . 2]" 1
156 1 18 THR MG 1 36 TYR H 6.000 . 6.500 5.562 5.173 6.132 . 0 0 "[ . 1 . 2]" 1
157 1 18 THR MG 1 39 HIS HD2 6.000 . 6.500 6.433 6.107 6.641 0.141 11 0 "[ . 1 . 2]" 1
158 1 18 THR MG 1 39 HIS HE1 4.500 2.300 5.000 4.951 4.635 5.091 0.091 5 0 "[ . 1 . 2]" 1
159 1 19 GLY H 1 19 GLY HA2 2.800 . 3.600 2.312 2.287 2.369 . 0 0 "[ . 1 . 2]" 1
160 1 19 GLY H 1 19 GLY HA3 2.800 . 3.600 2.879 2.840 2.935 . 0 0 "[ . 1 . 2]" 1
161 1 19 GLY H 1 20 CYS H 2.800 . 3.300 2.525 2.301 2.666 . 0 0 "[ . 1 . 2]" 1
162 1 19 GLY H 1 20 CYS HB2 5.000 . 6.500 6.000 4.354 6.227 . 0 0 "[ . 1 . 2]" 1
163 1 19 GLY H 1 21 GLY H 4.000 . 4.800 4.261 4.036 4.493 . 0 0 "[ . 1 . 2]" 1
164 1 19 GLY HA2 1 20 CYS H 4.000 . 4.800 2.882 2.808 3.052 . 0 0 "[ . 1 . 2]" 1
165 1 19 GLY HA2 1 21 GLY H 5.000 . 6.500 3.289 3.095 3.590 . 0 0 "[ . 1 . 2]" 1
166 1 19 GLY HA3 1 20 CYS H 2.800 . 3.600 3.557 3.514 3.589 . 0 0 "[ . 1 . 2]" 1
167 1 20 CYS H 1 20 CYS HA 2.800 . 3.600 2.896 2.829 2.927 . 0 0 "[ . 1 . 2]" 1
168 1 20 CYS H 1 20 CYS HB2 2.800 . 4.800 3.597 2.358 3.701 . 0 0 "[ . 1 . 2]" 1
169 1 20 CYS H 1 20 CYS HB3 2.800 . 4.800 2.733 2.498 3.608 . 0 0 "[ . 1 . 2]" 1
170 1 20 CYS H 1 21 GLY H 2.800 . 3.600 2.491 2.323 2.696 . 0 0 "[ . 1 . 2]" 1
171 1 20 CYS HA 1 20 CYS HB2 2.800 . 5.300 2.460 2.317 3.015 . 0 0 "[ . 1 . 2]" 1
172 1 20 CYS HA 1 20 CYS HB3 2.800 . 5.300 2.479 2.438 2.610 . 0 0 "[ . 1 . 2]" 1
173 1 20 CYS HA 1 21 GLY H 4.000 . 4.800 3.443 3.373 3.511 . 0 0 "[ . 1 . 2]" 1
174 1 20 CYS HA 1 22 PHE H 4.000 . 5.200 4.678 4.382 4.788 . 0 0 "[ . 1 . 2]" 1
175 1 20 CYS HB2 1 21 GLY H 5.000 . 6.500 4.182 2.993 4.453 . 0 0 "[ . 1 . 2]" 1
176 1 20 CYS HB2 1 22 PHE QD 6.000 . 6.500 2.973 2.357 3.935 . 0 0 "[ . 1 . 2]" 1
177 1 20 CYS HB3 1 21 GLY H 4.000 . 6.500 4.266 3.753 4.419 . 0 0 "[ . 1 . 2]" 1
178 1 21 GLY H 1 21 GLY HA2 2.800 . 3.600 2.358 2.322 2.400 . 0 0 "[ . 1 . 2]" 1
179 1 21 GLY H 1 21 GLY HA3 2.800 . 3.600 2.926 2.899 2.953 . 0 0 "[ . 1 . 2]" 1
180 1 21 GLY HA2 1 22 PHE H 4.000 . 4.800 3.282 3.201 3.394 . 0 0 "[ . 1 . 2]" 1
181 1 21 GLY HA3 1 22 PHE H 2.800 . 3.600 3.376 3.257 3.437 . 0 0 "[ . 1 . 2]" 1
182 1 22 PHE H 1 22 PHE HB2 2.800 . 4.800 2.414 2.314 2.536 . 0 0 "[ . 1 . 2]" 1
183 1 22 PHE H 1 22 PHE HB3 4.000 . 6.000 3.640 3.570 3.720 . 0 0 "[ . 1 . 2]" 1
184 1 22 PHE H 1 22 PHE QD 4.000 . 6.500 2.775 2.132 3.423 . 0 0 "[ . 1 . 2]" 1
185 1 22 PHE H 1 22 PHE HZ 4.000 . 6.500 6.473 6.322 6.574 0.074 20 0 "[ . 1 . 2]" 1
186 1 22 PHE H 1 23 TYR H 5.000 . 6.500 4.450 4.365 4.524 . 0 0 "[ . 1 . 2]" 1
187 1 22 PHE H 1 24 GLY H 5.000 . 6.500 6.541 6.376 6.633 0.133 14 0 "[ . 1 . 2]" 1
188 1 22 PHE HA 1 22 PHE HB2 2.800 . 5.300 3.021 3.012 3.030 . 0 0 "[ . 1 . 2]" 1
189 1 22 PHE HA 1 22 PHE HB3 2.800 . 5.300 2.545 2.497 2.580 . 0 0 "[ . 1 . 2]" 1
190 1 22 PHE HA 1 22 PHE QD 4.000 . 6.500 2.740 2.136 3.103 . 0 0 "[ . 1 . 2]" 1
191 1 22 PHE HA 1 22 PHE QE 5.000 . 6.500 4.450 4.238 4.643 . 0 0 "[ . 1 . 2]" 1
192 1 22 PHE HA 1 23 TYR H 2.800 . 3.600 2.553 2.329 2.761 . 0 0 "[ . 1 . 2]" 1
193 1 22 PHE HA 1 23 TYR HB2 5.000 . 6.500 4.378 4.293 4.477 . 0 0 "[ . 1 . 2]" 1
194 1 22 PHE HB2 1 23 TYR H 4.000 . 6.500 3.469 3.189 3.910 . 0 0 "[ . 1 . 2]" 1
195 1 22 PHE HB2 1 32 CYS HB2 2.800 . 5.000 3.668 3.050 4.408 . 0 0 "[ . 1 . 2]" 1
196 1 22 PHE HB2 1 32 CYS HB3 2.800 . 5.000 3.240 2.599 4.089 . 0 0 "[ . 1 . 2]" 1
197 1 22 PHE HB3 1 23 TYR H 2.800 . 5.300 2.155 1.902 2.646 . 0 0 "[ . 1 . 2]" 1
198 1 22 PHE HB3 1 32 CYS HB2 4.000 . 5.000 3.628 2.483 5.011 0.011 20 0 "[ . 1 . 2]" 1
199 1 22 PHE QD 1 23 TYR H 5.000 . 6.500 3.421 3.178 3.847 . 0 0 "[ . 1 . 2]" 1
200 1 22 PHE QD 1 34 VAL MG1 5.000 . 6.500 6.192 5.744 6.517 0.017 17 0 "[ . 1 . 2]" 1
201 1 22 PHE QD 1 34 VAL MG2 5.000 . 6.500 4.892 3.816 5.446 . 0 0 "[ . 1 . 2]" 1
202 1 22 PHE QE 1 34 VAL MG1 6.000 . 6.500 6.222 5.422 6.538 0.038 11 0 "[ . 1 . 2]" 1
203 1 23 TYR H 1 23 TYR HB2 2.800 . 4.800 2.450 2.254 2.633 . 0 0 "[ . 1 . 2]" 1
204 1 23 TYR H 1 23 TYR HB3 4.000 . 6.000 2.770 2.635 2.851 . 0 0 "[ . 1 . 2]" 1
205 1 23 TYR H 1 23 TYR QD 4.000 . 4.500 4.126 3.952 4.232 . 0 0 "[ . 1 . 2]" 1
206 1 23 TYR H 1 23 TYR QE 6.000 . 6.500 6.202 6.071 6.292 . 0 0 "[ . 1 . 2]" 1
207 1 23 TYR H 1 24 GLY H 4.000 . 5.000 4.591 4.550 4.641 . 0 0 "[ . 1 . 2]" 1
208 1 23 TYR H 1 32 CYS HB2 4.800 2.800 5.800 4.672 3.643 5.909 0.109 20 0 "[ . 1 . 2]" 1
209 1 23 TYR H 1 32 CYS HB3 4.000 . 6.000 4.392 3.703 4.908 . 0 0 "[ . 1 . 2]" 1
210 1 23 TYR HA 1 23 TYR QD 4.000 . 6.500 2.297 2.113 2.582 . 0 0 "[ . 1 . 2]" 1
211 1 23 TYR HA 1 23 TYR QE 5.000 . 6.500 4.242 4.178 4.330 . 0 0 "[ . 1 . 2]" 1
212 1 23 TYR HA 1 24 GLY H 2.800 . 3.600 2.215 2.168 2.247 . 0 0 "[ . 1 . 2]" 1
213 1 23 TYR HB2 1 24 GLY H 4.000 . 6.500 4.220 4.080 4.349 . 0 0 "[ . 1 . 2]" 1
214 1 23 TYR HB3 1 24 GLY H 4.000 . 6.500 3.764 3.668 3.952 . 0 0 "[ . 1 . 2]" 1
215 1 23 TYR QD 1 24 GLY H 5.000 . 6.500 3.256 2.933 3.425 . 0 0 "[ . 1 . 2]" 1
216 1 24 GLY H 1 24 GLY HA3 2.800 . 3.600 2.452 2.399 2.512 . 0 0 "[ . 1 . 2]" 1
217 1 24 GLY H 1 25 ASN H 5.000 . 6.500 4.515 4.430 4.572 . 0 0 "[ . 1 . 2]" 1
218 1 24 GLY H 1 32 CYS HA 5.000 . 6.500 5.004 4.636 5.324 . 0 0 "[ . 1 . 2]" 1
219 1 24 GLY HA2 1 25 ASN H 4.000 . 4.800 2.450 2.208 2.639 . 0 0 "[ . 1 . 2]" 1
220 1 24 GLY HA2 1 25 ASN HB2 5.000 . 6.500 4.135 4.061 4.226 . 0 0 "[ . 1 . 2]" 1
221 1 24 GLY HA2 1 25 ASN HB3 5.000 . 6.500 5.085 4.899 5.173 . 0 0 "[ . 1 . 2]" 1
222 1 24 GLY HA2 1 31 MET HA 5.000 . 6.500 3.982 3.523 4.796 . 0 0 "[ . 1 . 2]" 1
223 1 24 GLY HA2 1 32 CYS H 4.000 . 4.800 3.652 3.375 4.384 . 0 0 "[ . 1 . 2]" 1
224 1 24 GLY HA2 1 32 CYS HA 4.000 . 6.500 2.287 2.031 2.689 . 0 0 "[ . 1 . 2]" 1
225 1 24 GLY HA3 1 25 ASN H 4.000 . 4.800 2.755 2.556 3.068 . 0 0 "[ . 1 . 2]" 1
226 1 24 GLY HA3 1 25 ASN HB3 5.000 . 6.500 5.617 5.503 5.852 . 0 0 "[ . 1 . 2]" 1
227 1 24 GLY HA3 1 31 MET HA 4.000 . 6.500 3.588 3.082 4.053 . 0 0 "[ . 1 . 2]" 1
228 1 24 GLY HA3 1 32 CYS HA 4.000 . 6.500 3.864 3.397 4.419 . 0 0 "[ . 1 . 2]" 1
229 1 25 ASN H 1 25 ASN HB2 4.000 . 6.000 2.678 2.497 2.835 . 0 0 "[ . 1 . 2]" 1
230 1 25 ASN H 1 25 ASN HB3 4.000 . 6.000 2.918 2.792 3.007 . 0 0 "[ . 1 . 2]" 1
231 1 25 ASN H 1 30 GLY H 5.000 . 6.500 4.328 3.959 4.632 . 0 0 "[ . 1 . 2]" 1
232 1 25 ASN H 1 31 MET H 4.000 . 4.800 3.691 3.405 4.152 . 0 0 "[ . 1 . 2]" 1
233 1 25 ASN H 1 32 CYS H 5.000 . 6.500 4.864 4.543 5.561 . 0 0 "[ . 1 . 2]" 1
234 1 25 ASN H 1 32 CYS HA 4.000 . 4.800 3.572 3.131 4.161 . 0 0 "[ . 1 . 2]" 1
235 1 25 ASN HA 1 26 PRO HD2 2.800 . 4.500 2.455 2.127 2.679 . 0 0 "[ . 1 . 2]" 1
236 1 25 ASN HA 1 26 PRO HD3 2.800 . 4.500 2.261 2.028 2.561 . 0 0 "[ . 1 . 2]" 1
237 1 25 ASN HA 1 26 PRO HG2 4.000 . 6.500 4.561 4.339 4.634 . 0 0 "[ . 1 . 2]" 1
238 1 25 ASN HB2 1 26 PRO HD3 5.000 . 6.500 4.810 4.610 5.161 . 0 0 "[ . 1 . 2]" 1
239 1 25 ASN HB2 1 28 THR H 2.800 . 4.000 4.117 4.045 4.162 0.162 13 0 "[ . 1 . 2]" 1
240 1 25 ASN HB2 1 28 THR MG 4.000 . 6.500 2.856 2.653 3.063 . 0 0 "[ . 1 . 2]" 1
241 1 25 ASN HB3 1 26 PRO HD3 5.000 . 6.500 4.662 4.480 5.054 . 0 0 "[ . 1 . 2]" 1
242 1 25 ASN HB3 1 28 THR H 4.000 . 6.500 2.369 2.286 2.440 . 0 0 "[ . 1 . 2]" 1
243 1 25 ASN HB3 1 28 THR MG 4.000 . 5.000 2.039 1.945 2.291 . 0 0 "[ . 1 . 2]" 1
244 1 25 ASN HD21 1 28 THR MG 6.000 . 6.500 3.617 1.957 5.090 . 0 0 "[ . 1 . 2]" 1
245 1 25 ASN HD22 1 27 ARG HB3 5.000 . 6.500 5.416 4.008 6.459 . 0 0 "[ . 1 . 2]" 1
246 1 25 ASN HD22 1 28 THR MG 4.000 . 6.500 4.275 3.197 5.245 . 0 0 "[ . 1 . 2]" 1
247 1 26 PRO HA 1 26 PRO HD3 4.000 . 6.500 3.722 3.558 3.820 . 0 0 "[ . 1 . 2]" 1
248 1 26 PRO HA 1 26 PRO HG2 2.800 . 5.300 3.896 3.825 4.022 . 0 0 "[ . 1 . 2]" 1
249 1 26 PRO HA 1 27 ARG H 5.000 . 6.500 3.509 3.479 3.536 . 0 0 "[ . 1 . 2]" 1
250 1 26 PRO HA 1 30 GLY H 2.800 . 4.300 3.871 3.781 3.952 . 0 0 "[ . 1 . 2]" 1
251 1 26 PRO HB3 1 27 ARG H 5.000 . 6.500 4.318 4.206 4.449 . 0 0 "[ . 1 . 2]" 1
252 1 26 PRO HB3 1 30 GLY H 5.000 . 6.000 6.130 6.068 6.184 0.184 14 0 "[ . 1 . 2]" 1
253 1 26 PRO HD2 1 26 PRO HG2 2.800 . 5.300 2.305 2.283 2.333 . 0 0 "[ . 1 . 2]" 1
254 1 26 PRO HD3 1 27 ARG H 5.000 . 6.500 3.815 3.731 3.989 . 0 0 "[ . 1 . 2]" 1
255 1 26 PRO HG2 1 27 ARG H 5.000 . 6.500 2.885 2.501 4.278 . 0 0 "[ . 1 . 2]" 1
256 1 27 ARG H 1 27 ARG HB3 4.000 . 6.000 3.571 3.510 3.631 . 0 0 "[ . 1 . 2]" 1
257 1 27 ARG H 1 27 ARG HG2 5.000 . 6.500 3.601 2.143 4.234 . 0 0 "[ . 1 . 2]" 1
258 1 27 ARG H 1 28 THR H 4.000 . 4.500 2.403 2.347 2.468 . 0 0 "[ . 1 . 2]" 1
259 1 27 ARG H 1 30 GLY H 5.000 . 6.500 5.262 5.117 5.364 . 0 0 "[ . 1 . 2]" 1
260 1 27 ARG HA 1 28 THR H 4.000 . 4.800 3.510 3.488 3.530 . 0 0 "[ . 1 . 2]" 1
261 1 27 ARG HA 1 28 THR HA 4.000 . 6.500 4.742 4.687 4.780 . 0 0 "[ . 1 . 2]" 1
262 1 27 ARG HA 1 28 THR MG 4.000 . 5.000 4.779 4.708 4.864 . 0 0 "[ . 1 . 2]" 1
263 1 27 ARG HB2 1 28 THR H 5.000 . 6.500 2.851 2.699 3.078 . 0 0 "[ . 1 . 2]" 1
264 1 27 ARG HB2 1 28 THR MG 4.000 . 4.500 3.128 2.900 3.285 . 0 0 "[ . 1 . 2]" 1
265 1 27 ARG HB3 1 28 THR H 4.000 . 6.500 3.721 3.487 4.027 . 0 0 "[ . 1 . 2]" 1
266 1 27 ARG HB3 1 28 THR MG 4.000 . 4.500 3.899 3.663 4.333 . 0 0 "[ . 1 . 2]" 1
267 1 28 THR H 1 28 THR MG 2.800 . 4.500 2.170 2.044 2.509 . 0 0 "[ . 1 . 2]" 1
268 1 28 THR H 1 29 ASN H 5.000 . 6.500 4.329 4.264 4.386 . 0 0 "[ . 1 . 2]" 1
269 1 28 THR H 1 30 GLY H 4.000 . 5.000 3.753 3.623 3.887 . 0 0 "[ . 1 . 2]" 1
270 1 28 THR HA 1 28 THR HB 2.800 . 5.300 2.454 2.436 2.472 . 0 0 "[ . 1 . 2]" 1
271 1 28 THR HA 1 29 ASN H 5.000 . 6.500 2.992 2.945 3.054 . 0 0 "[ . 1 . 2]" 1
272 1 28 THR HA 1 29 ASN HB2 5.000 . 6.500 4.876 4.586 5.222 . 0 0 "[ . 1 . 2]" 1
273 1 28 THR HA 1 29 ASN HD22 5.000 . 6.500 5.915 4.758 6.591 0.091 7 0 "[ . 1 . 2]" 1
274 1 28 THR HA 1 36 TYR QD 5.000 . 6.500 4.948 4.554 5.196 . 0 0 "[ . 1 . 2]" 1
275 1 28 THR HA 1 36 TYR QE 4.000 . 5.500 4.094 3.682 4.510 . 0 0 "[ . 1 . 2]" 1
276 1 28 THR HB 1 36 TYR QD 4.500 . 5.500 3.437 3.171 3.708 . 0 0 "[ . 1 . 2]" 1
277 1 28 THR MG 1 33 SER HA 4.000 . 5.000 4.703 3.581 5.056 0.056 18 0 "[ . 1 . 2]" 1
278 1 28 THR MG 1 36 TYR HB2 4.000 . 5.000 4.204 3.569 4.580 . 0 0 "[ . 1 . 2]" 1
279 1 28 THR MG 1 36 TYR HB3 5.000 . 6.500 4.589 3.977 4.972 . 0 0 "[ . 1 . 2]" 1
280 1 28 THR MG 1 36 TYR QD 3.000 . 5.000 3.674 3.028 4.099 . 0 0 "[ . 1 . 2]" 1
281 1 28 THR MG 1 36 TYR QE 3.000 . 5.000 3.687 3.023 4.202 . 0 0 "[ . 1 . 2]" 1
282 1 29 ASN H 1 30 GLY H 4.000 . 4.800 2.940 2.888 3.026 . 0 0 "[ . 1 . 2]" 1
283 1 29 ASN HA 1 30 GLY H 4.000 . 4.800 3.024 2.988 3.071 . 0 0 "[ . 1 . 2]" 1
284 1 29 ASN HA 1 36 TYR QE 6.000 . 6.500 4.341 3.982 4.818 . 0 0 "[ . 1 . 2]" 1
285 1 29 ASN HB2 1 29 ASN HD22 4.000 . 6.500 3.775 3.530 4.124 . 0 0 "[ . 1 . 2]" 1
286 1 29 ASN HB2 1 30 GLY H 4.000 . 6.500 4.249 4.122 4.466 . 0 0 "[ . 1 . 2]" 1
287 1 29 ASN HB2 1 31 MET H 4.000 . 6.500 3.959 3.672 4.367 . 0 0 "[ . 1 . 2]" 1
288 1 29 ASN HB2 1 36 TYR QD 5.000 . 6.500 2.281 2.056 2.719 . 0 0 "[ . 1 . 2]" 1
289 1 29 ASN HB2 1 36 TYR QE 4.000 . 6.500 2.381 2.007 2.962 . 0 0 "[ . 1 . 2]" 1
290 1 29 ASN HB2 1 39 HIS HD2 3.800 . 5.000 4.601 3.918 5.012 0.012 18 0 "[ . 1 . 2]" 1
291 1 29 ASN HB3 1 29 ASN HD22 4.000 . 6.500 3.914 3.517 4.126 . 0 0 "[ . 1 . 2]" 1
292 1 29 ASN HB3 1 31 MET H 5.000 . 6.500 4.202 3.568 4.793 . 0 0 "[ . 1 . 2]" 1
293 1 29 ASN HB3 1 36 TYR QD 4.000 . 6.500 3.651 2.889 4.313 . 0 0 "[ . 1 . 2]" 1
294 1 29 ASN HB3 1 36 TYR QE 4.000 . 6.500 3.867 3.675 4.040 . 0 0 "[ . 1 . 2]" 1
295 1 29 ASN HB3 1 39 HIS HD2 4.000 . 5.000 4.624 3.741 5.057 0.057 19 0 "[ . 1 . 2]" 1
296 1 29 ASN HD21 1 31 MET ME 4.000 . 6.500 5.254 3.899 6.151 . 0 0 "[ . 1 . 2]" 1
297 1 29 ASN HD22 1 31 MET ME 4.000 . 6.500 5.877 4.958 6.520 0.020 8 0 "[ . 1 . 2]" 1
298 1 30 GLY H 1 30 GLY HA2 2.800 . 3.600 2.307 2.287 2.330 . 0 0 "[ . 1 . 2]" 1
299 1 30 GLY H 1 30 GLY HA3 2.800 . 3.600 2.876 2.823 2.908 . 0 0 "[ . 1 . 2]" 1
300 1 30 GLY H 1 31 MET H 2.500 . 4.000 2.521 2.434 2.716 . 0 0 "[ . 1 . 2]" 1
301 1 30 GLY H 1 31 MET HB2 4.000 . 6.000 4.815 4.626 5.228 . 0 0 "[ . 1 . 2]" 1
302 1 30 GLY H 1 31 MET ME 5.000 . 6.500 5.554 4.807 6.313 . 0 0 "[ . 1 . 2]" 1
303 1 30 GLY H 1 31 MET HG2 4.000 . 6.500 6.292 5.525 6.693 0.193 15 0 "[ . 1 . 2]" 1
304 1 30 GLY HA2 1 31 MET H 4.000 . 4.800 3.191 3.130 3.253 . 0 0 "[ . 1 . 2]" 1
305 1 30 GLY HA2 1 31 MET HA 5.000 . 6.500 4.545 4.498 4.584 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLY HA3 1 31 MET H 2.800 . 3.600 3.444 3.397 3.477 . 0 0 "[ . 1 . 2]" 1
307 1 30 GLY HA3 1 31 MET HA 5.000 . 6.500 4.577 4.560 4.605 . 0 0 "[ . 1 . 2]" 1
308 1 31 MET H 1 31 MET HB2 4.000 . 6.000 2.507 2.341 2.715 . 0 0 "[ . 1 . 2]" 1
309 1 31 MET H 1 31 MET HB3 4.000 . 6.000 3.679 3.537 3.821 . 0 0 "[ . 1 . 2]" 1
310 1 31 MET H 1 31 MET ME 6.000 . 6.500 4.450 3.674 4.644 . 0 0 "[ . 1 . 2]" 1
311 1 31 MET H 1 31 MET HG2 2.800 . 5.300 4.198 3.591 4.546 . 0 0 "[ . 1 . 2]" 1
312 1 31 MET H 1 32 CYS H 4.000 . 4.800 4.464 4.425 4.499 . 0 0 "[ . 1 . 2]" 1
313 1 31 MET H 1 36 TYR HB3 4.500 . 6.000 5.815 5.544 6.093 0.093 18 0 "[ . 1 . 2]" 1
314 1 31 MET H 1 36 TYR QD 5.000 . 6.500 4.274 3.849 4.781 . 0 0 "[ . 1 . 2]" 1
315 1 31 MET H 1 36 TYR QE 5.000 . 6.500 5.586 5.005 6.062 . 0 0 "[ . 1 . 2]" 1
316 1 31 MET HA 1 31 MET ME 5.000 . 6.500 4.505 4.193 4.721 . 0 0 "[ . 1 . 2]" 1
317 1 31 MET HA 1 31 MET HG2 2.800 . 5.300 2.941 2.325 3.558 . 0 0 "[ . 1 . 2]" 1
318 1 31 MET HA 1 32 CYS H 2.800 . 3.600 2.413 2.302 2.615 . 0 0 "[ . 1 . 2]" 1
319 1 31 MET HA 1 32 CYS HA 5.000 . 6.500 4.317 4.297 4.337 . 0 0 "[ . 1 . 2]" 1
320 1 31 MET HA 1 35 CYS HB3 4.000 . 6.000 5.011 4.583 5.751 . 0 0 "[ . 1 . 2]" 1
321 1 31 MET HB2 1 31 MET ME 4.000 . 6.500 3.404 2.495 3.783 . 0 0 "[ . 1 . 2]" 1
322 1 31 MET HB2 1 31 MET HG2 2.800 . 5.300 2.812 2.512 3.036 . 0 0 "[ . 1 . 2]" 1
323 1 31 MET HB2 1 32 CYS H 4.000 . 6.500 3.684 3.202 4.016 . 0 0 "[ . 1 . 2]" 1
324 1 31 MET HB2 1 35 CYS HB2 4.000 . 6.500 3.799 3.217 4.173 . 0 0 "[ . 1 . 2]" 1
325 1 31 MET HB2 1 35 CYS HB3 4.000 . 6.500 4.308 3.202 4.704 . 0 0 "[ . 1 . 2]" 1
326 1 31 MET HB2 1 36 TYR H 4.000 . 6.500 3.832 3.502 4.118 . 0 0 "[ . 1 . 2]" 1
327 1 31 MET HB2 1 36 TYR HB2 5.000 . 6.500 2.892 2.550 3.291 . 0 0 "[ . 1 . 2]" 1
328 1 31 MET HB2 1 36 TYR HB3 4.000 . 6.500 4.523 4.187 4.892 . 0 0 "[ . 1 . 2]" 1
329 1 31 MET HB2 1 36 TYR QD 5.000 . 6.500 3.193 2.644 3.920 . 0 0 "[ . 1 . 2]" 1
330 1 31 MET HB3 1 31 MET ME 4.000 . 6.500 3.892 2.340 4.126 . 0 0 "[ . 1 . 2]" 1
331 1 31 MET HB3 1 32 CYS H 4.000 . 6.500 2.419 2.165 2.725 . 0 0 "[ . 1 . 2]" 1
332 1 31 MET HB3 1 35 CYS HB2 4.000 . 6.500 2.275 2.023 2.711 . 0 0 "[ . 1 . 2]" 1
333 1 31 MET HB3 1 35 CYS HB3 4.000 . 6.500 3.050 2.429 3.437 . 0 0 "[ . 1 . 2]" 1
334 1 31 MET HB3 1 36 TYR H 4.000 . 6.500 3.256 2.748 4.087 . 0 0 "[ . 1 . 2]" 1
335 1 31 MET HB3 1 36 TYR HA 4.000 . 6.500 3.556 2.923 4.712 . 0 0 "[ . 1 . 2]" 1
336 1 31 MET HB3 1 36 TYR HB2 4.000 . 6.500 3.469 2.802 4.609 . 0 0 "[ . 1 . 2]" 1
337 1 31 MET HB3 1 36 TYR HB3 4.000 . 6.500 4.824 4.191 6.011 . 0 0 "[ . 1 . 2]" 1
338 1 31 MET HB3 1 36 TYR QD 5.000 . 6.500 4.541 3.911 5.478 . 0 0 "[ . 1 . 2]" 1
339 1 31 MET ME 1 31 MET HG2 2.800 . 5.300 2.442 1.968 3.025 . 0 0 "[ . 1 . 2]" 1
340 1 31 MET ME 1 32 CYS H 6.000 . 6.500 5.636 4.354 5.935 . 0 0 "[ . 1 . 2]" 1
341 1 31 MET ME 1 35 CYS HB2 5.000 . 6.500 4.946 2.630 5.745 . 0 0 "[ . 1 . 2]" 1
342 1 31 MET ME 1 36 TYR H 6.000 . 6.500 5.701 3.468 6.160 . 0 0 "[ . 1 . 2]" 1
343 1 31 MET ME 1 36 TYR QD 3.000 . 4.500 4.250 3.018 4.593 0.093 17 0 "[ . 1 . 2]" 1
344 1 31 MET ME 1 36 TYR QE 5.000 . 6.500 5.406 4.198 5.825 . 0 0 "[ . 1 . 2]" 1
345 1 31 MET ME 1 39 HIS H 5.000 . 6.500 5.149 3.584 5.868 . 0 0 "[ . 1 . 2]" 1
346 1 31 MET ME 1 39 HIS HB2 3.000 . 4.000 3.505 2.001 3.957 . 0 0 "[ . 1 . 2]" 1
347 1 31 MET ME 1 39 HIS HB3 4.000 . 4.500 3.562 2.705 4.098 . 0 0 "[ . 1 . 2]" 1
348 1 31 MET ME 1 39 HIS HD2 5.000 . 6.000 3.815 2.732 4.519 . 0 0 "[ . 1 . 2]" 1
349 1 31 MET ME 1 39 HIS HE1 4.000 . 6.000 2.929 2.302 4.454 . 0 0 "[ . 1 . 2]" 1
350 1 31 MET HG2 1 32 CYS H 4.000 . 6.500 4.146 3.660 4.532 . 0 0 "[ . 1 . 2]" 1
351 1 31 MET HG2 1 35 CYS HB2 4.000 . 6.500 3.836 3.167 5.183 . 0 0 "[ . 1 . 2]" 1
352 1 31 MET HG2 1 35 CYS HB3 4.000 . 6.500 3.568 2.499 5.208 . 0 0 "[ . 1 . 2]" 1
353 1 31 MET HG2 1 36 TYR H 5.000 . 6.500 5.311 4.382 6.530 0.030 19 0 "[ . 1 . 2]" 1
354 1 31 MET HG2 1 36 TYR QD 5.000 . 6.500 5.378 4.421 6.233 . 0 0 "[ . 1 . 2]" 1
355 1 32 CYS H 1 32 CYS HB2 4.000 . 6.000 3.504 2.608 3.629 . 0 0 "[ . 1 . 2]" 1
356 1 32 CYS H 1 32 CYS HB3 4.000 . 6.000 2.664 2.506 3.624 . 0 0 "[ . 1 . 2]" 1
357 1 32 CYS H 1 35 CYS H 4.000 . 4.800 4.167 3.879 4.458 . 0 0 "[ . 1 . 2]" 1
358 1 32 CYS H 1 35 CYS HA 5.000 . 6.500 5.716 5.238 6.026 . 0 0 "[ . 1 . 2]" 1
359 1 32 CYS H 1 35 CYS HB2 4.000 . 6.000 2.752 2.213 3.094 . 0 0 "[ . 1 . 2]" 1
360 1 32 CYS H 1 35 CYS HB3 4.000 . 6.000 4.246 3.486 4.661 . 0 0 "[ . 1 . 2]" 1
361 1 32 CYS H 1 36 TYR H 4.000 . 4.800 4.083 3.873 4.384 . 0 0 "[ . 1 . 2]" 1
362 1 32 CYS HA 1 32 CYS HB3 2.800 . 5.300 2.487 2.438 2.523 . 0 0 "[ . 1 . 2]" 1
363 1 32 CYS HA 1 33 SER H 4.000 . 4.500 2.810 2.497 2.944 . 0 0 "[ . 1 . 2]" 1
364 1 32 CYS HA 1 33 SER HB3 4.000 . 6.000 5.667 5.177 5.887 . 0 0 "[ . 1 . 2]" 1
365 1 32 CYS HA 1 34 VAL H 5.000 . 6.500 4.991 4.566 5.207 . 0 0 "[ . 1 . 2]" 1
366 1 32 CYS HB2 1 33 SER H 2.800 . 4.500 2.162 1.993 3.353 . 0 0 "[ . 1 . 2]" 1
367 1 32 CYS HB2 1 33 SER HB3 5.000 . 6.500 5.010 4.736 6.317 . 0 0 "[ . 1 . 2]" 1
368 1 32 CYS HB2 1 34 VAL H 5.000 . 6.500 3.706 3.225 3.923 . 0 0 "[ . 1 . 2]" 1
369 1 32 CYS HB3 1 33 SER H 4.000 . 6.500 3.431 2.134 3.683 . 0 0 "[ . 1 . 2]" 1
370 1 32 CYS HB3 1 33 SER HB3 4.000 . 6.500 6.383 5.548 6.621 0.121 11 0 "[ . 1 . 2]" 1
371 1 32 CYS HB3 1 34 VAL H 4.000 . 6.500 4.757 2.974 5.101 . 0 0 "[ . 1 . 2]" 1
372 1 32 CYS HB3 1 35 CYS H 5.000 . 6.500 4.765 3.162 4.992 . 0 0 "[ . 1 . 2]" 1
373 1 33 SER H 1 33 SER HB3 4.000 . 6.000 3.094 2.972 3.610 . 0 0 "[ . 1 . 2]" 1
374 1 33 SER H 1 34 VAL H 4.000 . 4.800 2.665 2.521 2.758 . 0 0 "[ . 1 . 2]" 1
375 1 33 SER H 1 34 VAL MG1 6.000 . 6.500 5.934 5.825 6.050 . 0 0 "[ . 1 . 2]" 1
376 1 33 SER HA 1 33 SER HB3 2.800 . 4.800 2.765 2.243 2.968 . 0 0 "[ . 1 . 2]" 1
377 1 33 SER HA 1 34 VAL H 4.000 . 4.800 3.573 3.547 3.597 . 0 0 "[ . 1 . 2]" 1
378 1 33 SER HA 1 34 VAL MG1 6.000 . 6.500 6.135 6.090 6.166 . 0 0 "[ . 1 . 2]" 1
379 1 33 SER HA 1 36 TYR H 4.000 . 4.800 3.923 3.572 4.174 . 0 0 "[ . 1 . 2]" 1
380 1 33 SER HA 1 36 TYR QD 5.000 . 6.500 4.011 3.634 4.431 . 0 0 "[ . 1 . 2]" 1
381 1 33 SER HA 1 37 LYS H 4.000 . 4.800 4.656 4.363 4.884 0.084 15 0 "[ . 1 . 2]" 1
382 1 33 SER HB3 1 34 VAL H 2.800 . 5.300 3.010 2.481 4.187 . 0 0 "[ . 1 . 2]" 1
383 1 33 SER HB3 1 34 VAL MG1 4.000 . 6.500 5.448 5.009 6.575 0.075 5 0 "[ . 1 . 2]" 1
384 1 34 VAL H 1 34 VAL HA 2.800 . 3.600 2.844 2.819 2.879 . 0 0 "[ . 1 . 2]" 1
385 1 34 VAL H 1 34 VAL HB 2.500 . 5.000 2.682 2.604 2.772 . 0 0 "[ . 1 . 2]" 1
386 1 34 VAL H 1 34 VAL MG1 2.800 . 5.300 3.760 3.738 3.795 . 0 0 "[ . 1 . 2]" 1
387 1 34 VAL H 1 34 VAL MG2 4.000 . 6.500 2.018 1.940 2.169 . 0 0 "[ . 1 . 2]" 1
388 1 34 VAL H 1 35 CYS H 2.800 . 3.600 2.746 2.428 2.903 . 0 0 "[ . 1 . 2]" 1
389 1 34 VAL H 1 35 CYS HB3 4.000 . 6.500 6.265 5.991 6.412 . 0 0 "[ . 1 . 2]" 1
390 1 34 VAL HA 1 35 CYS H 4.000 . 4.800 3.560 3.507 3.583 . 0 0 "[ . 1 . 2]" 1
391 1 34 VAL HA 1 37 LYS H 4.000 . 4.800 3.856 3.687 4.087 . 0 0 "[ . 1 . 2]" 1
392 1 34 VAL HA 1 37 LYS HB3 4.000 . 6.000 4.209 3.687 4.936 . 0 0 "[ . 1 . 2]" 1
393 1 34 VAL HA 1 37 LYS HD3 5.000 . 6.500 4.438 2.355 5.232 . 0 0 "[ . 1 . 2]" 1
394 1 34 VAL HA 1 38 GLU H 5.000 . 6.500 4.466 4.243 4.902 . 0 0 "[ . 1 . 2]" 1
395 1 34 VAL HB 1 35 CYS H 2.800 . 4.000 2.368 2.217 2.697 . 0 0 "[ . 1 . 2]" 1
396 1 34 VAL HB 1 35 CYS HA 4.000 . 6.500 4.095 3.961 4.186 . 0 0 "[ . 1 . 2]" 1
397 1 34 VAL MG1 1 35 CYS H 4.000 . 6.500 3.488 3.301 3.760 . 0 0 "[ . 1 . 2]" 1
398 1 34 VAL MG1 1 35 CYS HB3 6.000 . 6.500 5.555 5.376 5.860 . 0 0 "[ . 1 . 2]" 1
399 1 34 VAL MG1 1 37 LYS HB3 5.000 . 6.500 4.796 4.215 5.940 . 0 0 "[ . 1 . 2]" 1
400 1 34 VAL MG1 1 37 LYS HD3 6.000 . 6.500 4.931 3.084 6.074 . 0 0 "[ . 1 . 2]" 1
401 1 34 VAL MG1 1 37 LYS HG2 4.000 . 6.500 5.719 3.750 6.583 0.083 7 0 "[ . 1 . 2]" 1
402 1 34 VAL MG2 1 35 CYS H 4.000 . 6.500 3.612 3.499 3.696 . 0 0 "[ . 1 . 2]" 1
403 1 34 VAL MG2 1 35 CYS HA 4.000 . 6.500 5.357 5.300 5.392 . 0 0 "[ . 1 . 2]" 1
404 1 34 VAL MG2 1 35 CYS HB3 5.000 . 6.500 6.524 6.430 6.582 0.082 9 0 "[ . 1 . 2]" 1
405 1 34 VAL MG2 1 37 LYS HB3 5.000 . 6.500 5.921 5.511 6.480 . 0 0 "[ . 1 . 2]" 1
406 1 34 VAL MG2 1 37 LYS HD3 5.000 . 6.500 5.734 3.739 6.491 . 0 0 "[ . 1 . 2]" 1
407 1 34 VAL MG2 1 38 GLU HG2 5.000 . 6.500 5.886 5.320 6.576 0.076 12 0 "[ . 1 . 2]" 1
408 1 35 CYS H 1 35 CYS HA 2.800 . 3.600 2.814 2.778 2.864 . 0 0 "[ . 1 . 2]" 1
409 1 35 CYS H 1 35 CYS HB3 2.800 . 4.800 3.592 3.529 3.612 . 0 0 "[ . 1 . 2]" 1
410 1 35 CYS H 1 36 TYR H 2.800 . 3.800 2.713 2.539 2.826 . 0 0 "[ . 1 . 2]" 1
411 1 35 CYS HA 1 35 CYS HB3 2.800 . 4.800 2.478 2.441 2.607 . 0 0 "[ . 1 . 2]" 1
412 1 35 CYS HA 1 36 TYR H 4.000 . 4.800 3.542 3.529 3.555 . 0 0 "[ . 1 . 2]" 1
413 1 35 CYS HA 1 37 LYS H 4.000 . 4.800 4.269 4.042 4.602 . 0 0 "[ . 1 . 2]" 1
414 1 35 CYS HA 1 38 GLU H 2.800 . 3.600 3.490 3.230 3.673 0.073 14 0 "[ . 1 . 2]" 1
415 1 35 CYS HB3 1 36 TYR H 2.800 . 5.300 3.753 3.424 3.851 . 0 0 "[ . 1 . 2]" 1
416 1 35 CYS HB3 1 38 GLU HG3 4.000 . 6.500 5.831 5.178 6.512 0.012 14 0 "[ . 1 . 2]" 1
417 1 36 TYR H 1 36 TYR HA 2.800 . 3.600 2.810 2.790 2.849 . 0 0 "[ . 1 . 2]" 1
418 1 36 TYR H 1 36 TYR HB2 2.800 . 4.800 2.558 2.464 2.653 . 0 0 "[ . 1 . 2]" 1
419 1 36 TYR H 1 36 TYR HB3 2.500 . 4.500 2.537 2.441 2.669 . 0 0 "[ . 1 . 2]" 1
420 1 36 TYR H 1 36 TYR QD 4.000 . 6.500 4.197 4.147 4.221 . 0 0 "[ . 1 . 2]" 1
421 1 36 TYR H 1 37 LYS H 2.800 . 3.600 2.769 2.656 2.892 . 0 0 "[ . 1 . 2]" 1
422 1 36 TYR H 1 37 LYS HA 5.000 . 6.500 5.364 5.243 5.460 . 0 0 "[ . 1 . 2]" 1
423 1 36 TYR H 1 37 LYS HB3 4.000 . 6.000 5.407 5.208 6.084 0.084 9 0 "[ . 1 . 2]" 1
424 1 36 TYR H 1 38 GLU H 5.000 . 6.500 4.302 4.210 4.428 . 0 0 "[ . 1 . 2]" 1
425 1 36 TYR H 1 39 HIS H 5.000 . 6.500 4.863 4.631 5.075 . 0 0 "[ . 1 . 2]" 1
426 1 36 TYR HA 1 36 TYR QD 4.000 . 6.500 2.197 2.052 2.449 . 0 0 "[ . 1 . 2]" 1
427 1 36 TYR HA 1 36 TYR QE 5.000 . 6.500 4.407 4.280 4.500 . 0 0 "[ . 1 . 2]" 1
428 1 36 TYR HA 1 37 LYS H 4.000 . 4.800 3.544 3.516 3.580 . 0 0 "[ . 1 . 2]" 1
429 1 36 TYR HA 1 39 HIS H 4.000 . 4.800 3.824 3.599 3.940 . 0 0 "[ . 1 . 2]" 1
430 1 36 TYR HA 1 39 HIS HA 4.000 . 6.500 5.979 5.461 6.315 . 0 0 "[ . 1 . 2]" 1
431 1 36 TYR HA 1 39 HIS HB2 4.000 . 6.000 4.780 3.162 5.705 . 0 0 "[ . 1 . 2]" 1
432 1 36 TYR HA 1 39 HIS HB3 4.000 . 6.000 4.010 2.820 4.838 . 0 0 "[ . 1 . 2]" 1
433 1 36 TYR HA 1 39 HIS HD2 4.000 . 5.500 4.781 4.466 5.090 . 0 0 "[ . 1 . 2]" 1
434 1 36 TYR HA 1 40 LEU H 4.000 . 4.800 4.064 3.702 4.245 . 0 0 "[ . 1 . 2]" 1
435 1 36 TYR HB2 1 37 LYS H 4.000 . 6.500 4.042 3.897 4.195 . 0 0 "[ . 1 . 2]" 1
436 1 36 TYR HB3 1 37 LYS H 2.800 . 5.300 2.819 2.543 3.079 . 0 0 "[ . 1 . 2]" 1
437 1 36 TYR QD 1 37 LYS H 4.000 . 6.500 4.116 3.857 4.354 . 0 0 "[ . 1 . 2]" 1
438 1 36 TYR QD 1 37 LYS HA 5.000 . 6.500 4.343 4.083 4.548 . 0 0 "[ . 1 . 2]" 1
439 1 36 TYR QD 1 37 LYS HB3 6.000 . 6.500 5.604 4.255 6.349 . 0 0 "[ . 1 . 2]" 1
440 1 36 TYR QD 1 37 LYS HG2 6.000 . 6.500 6.109 4.659 6.529 0.029 17 0 "[ . 1 . 2]" 1
441 1 36 TYR QD 1 39 HIS H 6.000 . 6.500 5.352 4.947 5.673 . 0 0 "[ . 1 . 2]" 1
442 1 36 TYR QD 1 39 HIS HB2 5.000 . 6.500 5.727 4.322 6.426 . 0 0 "[ . 1 . 2]" 1
443 1 36 TYR QD 1 39 HIS HB3 5.000 . 6.500 5.087 3.484 6.083 . 0 0 "[ . 1 . 2]" 1
444 1 36 TYR QD 1 39 HIS HD2 3.000 . 4.500 4.471 4.321 4.582 0.082 12 0 "[ . 1 . 2]" 1
445 1 36 TYR QD 1 40 LEU H 5.000 . 6.500 4.685 4.203 4.964 . 0 0 "[ . 1 . 2]" 1
446 1 36 TYR QD 1 40 LEU MD1 6.000 . 6.500 3.748 2.918 5.044 . 0 0 "[ . 1 . 2]" 1
447 1 36 TYR QD 1 40 LEU MD2 5.000 . 6.500 4.197 2.825 5.428 . 0 0 "[ . 1 . 2]" 1
448 1 36 TYR QD 1 40 LEU HG 6.000 . 6.500 6.079 4.589 6.526 0.026 15 0 "[ . 1 . 2]" 1
449 1 36 TYR QE 1 37 LYS HA 6.000 . 6.500 5.259 5.012 5.558 . 0 0 "[ . 1 . 2]" 1
450 1 36 TYR QE 1 39 HIS HD2 2.800 . 4.800 4.773 4.533 4.852 0.052 11 0 "[ . 1 . 2]" 1
451 1 36 TYR QE 1 40 LEU H 5.000 . 6.500 5.447 5.229 5.715 . 0 0 "[ . 1 . 2]" 1
452 1 36 TYR QE 1 40 LEU MD1 5.000 . 6.500 2.690 2.197 4.029 . 0 0 "[ . 1 . 2]" 1
453 1 36 TYR QE 1 40 LEU MD2 4.000 . 6.500 3.331 2.534 4.604 . 0 0 "[ . 1 . 2]" 1
454 1 36 TYR QE 1 40 LEU HG 6.000 . 6.500 5.169 3.769 5.833 . 0 0 "[ . 1 . 2]" 1
455 1 37 LYS H 1 37 LYS HA 2.800 . 3.600 2.875 2.859 2.887 . 0 0 "[ . 1 . 2]" 1
456 1 37 LYS H 1 37 LYS HB3 2.500 . 4.500 2.804 2.654 3.414 . 0 0 "[ . 1 . 2]" 1
457 1 37 LYS H 1 37 LYS HD2 4.000 . 6.500 4.996 2.646 5.925 . 0 0 "[ . 1 . 2]" 1
458 1 37 LYS H 1 37 LYS HD3 4.000 . 6.500 4.560 3.784 4.967 . 0 0 "[ . 1 . 2]" 1
459 1 37 LYS H 1 37 LYS HE2 4.000 . 6.500 5.568 3.994 6.550 0.050 15 0 "[ . 1 . 2]" 1
460 1 37 LYS H 1 37 LYS HG2 4.000 . 6.500 3.840 1.922 4.631 . 0 0 "[ . 1 . 2]" 1
461 1 37 LYS H 1 38 GLU H 2.500 . 5.000 2.501 2.433 2.560 . 0 0 "[ . 1 . 2]" 1
462 1 37 LYS H 1 39 HIS H 3.000 . 4.000 4.081 3.828 4.168 0.168 13 0 "[ . 1 . 2]" 1
463 1 37 LYS H 1 40 LEU MD2 6.000 . 6.500 5.748 4.969 6.490 . 0 0 "[ . 1 . 2]" 1
464 1 37 LYS HA 1 37 LYS HB3 2.800 . 5.300 2.839 2.411 3.020 . 0 0 "[ . 1 . 2]" 1
465 1 37 LYS HA 1 37 LYS HD2 4.000 . 6.500 4.481 2.807 5.502 . 0 0 "[ . 1 . 2]" 1
466 1 37 LYS HA 1 37 LYS HG2 4.000 . 6.500 2.981 2.183 3.754 . 0 0 "[ . 1 . 2]" 1
467 1 37 LYS HA 1 38 GLU H 4.000 . 4.800 3.553 3.536 3.571 . 0 0 "[ . 1 . 2]" 1
468 1 37 LYS HA 1 40 LEU H 4.000 . 4.800 3.631 3.368 3.978 . 0 0 "[ . 1 . 2]" 1
469 1 37 LYS HA 1 40 LEU HA 3.000 2.300 6.500 5.588 5.191 6.116 . 0 0 "[ . 1 . 2]" 1
470 1 37 LYS HA 1 40 LEU HB2 4.000 . 6.000 3.325 2.861 4.055 . 0 0 "[ . 1 . 2]" 1
471 1 37 LYS HA 1 40 LEU HB3 4.000 . 6.000 3.321 2.585 4.772 . 0 0 "[ . 1 . 2]" 1
472 1 37 LYS HA 1 40 LEU MD1 4.000 . 6.500 4.781 3.929 5.886 . 0 0 "[ . 1 . 2]" 1
473 1 37 LYS HA 1 40 LEU MD2 4.000 . 6.500 3.782 3.294 4.301 . 0 0 "[ . 1 . 2]" 1
474 1 37 LYS HA 1 40 LEU HG 4.000 . 6.500 5.527 5.022 6.261 . 0 0 "[ . 1 . 2]" 1
475 1 37 LYS HA 1 41 GLN H 4.000 . 4.800 4.350 4.013 4.831 0.031 2 0 "[ . 1 . 2]" 1
476 1 37 LYS HB3 1 37 LYS HD2 4.000 . 6.500 3.259 2.324 3.951 . 0 0 "[ . 1 . 2]" 1
477 1 37 LYS HB3 1 37 LYS HD3 4.000 . 6.500 2.684 2.177 3.730 . 0 0 "[ . 1 . 2]" 1
478 1 37 LYS HB3 1 38 GLU H 2.800 . 5.300 2.905 2.409 4.005 . 0 0 "[ . 1 . 2]" 1
479 1 37 LYS HB3 1 39 HIS H 5.000 . 6.500 5.306 4.843 6.036 . 0 0 "[ . 1 . 2]" 1
480 1 37 LYS HD2 1 37 LYS HG2 2.800 . 5.300 2.845 2.516 3.032 . 0 0 "[ . 1 . 2]" 1
481 1 37 LYS HD3 1 37 LYS HE2 2.800 . 5.300 2.564 2.258 3.029 . 0 0 "[ . 1 . 2]" 1
482 1 37 LYS HD3 1 37 LYS HG2 2.800 . 5.300 2.671 2.251 3.034 . 0 0 "[ . 1 . 2]" 1
483 1 37 LYS HE2 1 37 LYS HG2 2.800 . 5.300 2.714 2.163 4.067 . 0 0 "[ . 1 . 2]" 1
484 1 37 LYS HE2 1 38 GLU H 4.000 . 6.500 5.208 3.644 6.489 . 0 0 "[ . 1 . 2]" 1
485 1 37 LYS HG2 1 38 GLU H 4.000 . 6.500 3.809 2.275 5.114 . 0 0 "[ . 1 . 2]" 1
486 1 38 GLU H 1 38 GLU HA 2.800 . 3.600 2.801 2.773 2.837 . 0 0 "[ . 1 . 2]" 1
487 1 38 GLU H 1 38 GLU HB3 2.500 . 4.500 3.584 3.560 3.607 . 0 0 "[ . 1 . 2]" 1
488 1 38 GLU H 1 38 GLU HG2 4.000 . 6.500 2.485 2.019 3.262 . 0 0 "[ . 1 . 2]" 1
489 1 38 GLU H 1 38 GLU HG3 4.000 . 6.500 3.150 2.063 3.612 . 0 0 "[ . 1 . 2]" 1
490 1 38 GLU H 1 39 HIS H 2.800 . 3.600 2.812 2.636 2.910 . 0 0 "[ . 1 . 2]" 1
491 1 38 GLU H 1 39 HIS HB3 5.000 . 6.500 5.189 4.888 5.354 . 0 0 "[ . 1 . 2]" 1
492 1 38 GLU HA 1 38 GLU HB3 2.500 . 4.500 2.523 2.418 2.602 . 0 0 "[ . 1 . 2]" 1
493 1 38 GLU HA 1 38 GLU HG2 4.000 . 6.500 2.568 2.184 2.755 . 0 0 "[ . 1 . 2]" 1
494 1 38 GLU HA 1 38 GLU HG3 2.800 . 5.300 3.562 3.121 3.726 . 0 0 "[ . 1 . 2]" 1
495 1 38 GLU HA 1 39 HIS H 4.000 . 4.800 3.575 3.528 3.604 . 0 0 "[ . 1 . 2]" 1
496 1 38 GLU HB3 1 39 HIS H 2.800 . 5.300 3.583 3.440 3.746 . 0 0 "[ . 1 . 2]" 1
497 1 38 GLU HG2 1 39 HIS H 5.000 . 6.500 4.582 4.323 4.965 . 0 0 "[ . 1 . 2]" 1
498 1 38 GLU HG3 1 39 HIS H 4.000 . 6.500 4.797 4.046 5.138 . 0 0 "[ . 1 . 2]" 1
499 1 39 HIS H 1 39 HIS HA 2.800 . 3.600 2.870 2.792 2.924 . 0 0 "[ . 1 . 2]" 1
500 1 39 HIS H 1 39 HIS HB2 2.800 . 4.800 3.156 2.243 3.727 . 0 0 "[ . 1 . 2]" 1
501 1 39 HIS H 1 39 HIS HB3 2.800 . 4.800 2.636 2.526 2.778 . 0 0 "[ . 1 . 2]" 1
502 1 39 HIS H 1 39 HIS HD2 5.000 . 6.500 4.704 4.137 5.395 . 0 0 "[ . 1 . 2]" 1
503 1 39 HIS H 1 40 LEU H 2.800 . 3.600 2.579 2.364 2.875 . 0 0 "[ . 1 . 2]" 1
504 1 39 HIS H 1 41 GLN H 5.000 . 6.500 4.067 3.948 4.274 . 0 0 "[ . 1 . 2]" 1
505 1 39 HIS H 1 42 ARG H 5.000 . 6.500 5.223 4.906 5.603 . 0 0 "[ . 1 . 2]" 1
506 1 39 HIS HA 1 39 HIS HD2 5.000 . 6.500 4.239 4.110 4.475 . 0 0 "[ . 1 . 2]" 1
507 1 39 HIS HA 1 40 LEU H 4.000 . 4.800 3.534 3.493 3.583 . 0 0 "[ . 1 . 2]" 1
508 1 39 HIS HA 1 42 ARG H 4.000 . 4.800 3.557 3.265 3.980 . 0 0 "[ . 1 . 2]" 1
509 1 39 HIS HB2 1 39 HIS HD2 4.000 . 6.500 3.430 3.101 3.879 . 0 0 "[ . 1 . 2]" 1
510 1 39 HIS HB2 1 39 HIS HE1 5.000 . 6.500 5.022 4.817 5.192 . 0 0 "[ . 1 . 2]" 1
511 1 39 HIS HB2 1 40 LEU H 4.000 . 6.500 3.940 3.610 4.148 . 0 0 "[ . 1 . 2]" 1
512 1 39 HIS HB3 1 39 HIS HD2 4.000 . 6.500 3.514 2.744 4.025 . 0 0 "[ . 1 . 2]" 1
513 1 39 HIS HB3 1 39 HIS HE1 5.000 . 6.500 4.981 4.718 5.358 . 0 0 "[ . 1 . 2]" 1
514 1 39 HIS HB3 1 40 LEU H 2.800 . 5.300 3.367 2.381 4.042 . 0 0 "[ . 1 . 2]" 1
515 1 39 HIS HD2 1 40 LEU H 3.000 . 4.500 3.428 2.682 4.481 . 0 0 "[ . 1 . 2]" 1
516 1 39 HIS HD2 1 40 LEU HA 4.000 . 6.500 3.038 2.355 4.266 . 0 0 "[ . 1 . 2]" 1
517 1 39 HIS HD2 1 40 LEU MD1 4.000 . 6.500 3.236 2.921 4.177 . 0 0 "[ . 1 . 2]" 1
518 1 39 HIS HD2 1 40 LEU MD2 5.000 . 6.500 5.171 2.109 5.762 . 0 0 "[ . 1 . 2]" 1
519 1 39 HIS HD2 1 40 LEU HG 4.000 . 6.500 5.080 4.061 5.704 . 0 0 "[ . 1 . 2]" 1
520 1 39 HIS HD2 1 43 GLN HG2 5.000 . 6.500 5.119 3.612 6.213 . 0 0 "[ . 1 . 2]" 1
521 1 39 HIS HE1 1 40 LEU MD1 6.000 . 6.500 5.804 5.057 6.583 0.083 5 0 "[ . 1 . 2]" 1
522 1 40 LEU H 1 40 LEU HA 2.800 . 3.600 2.826 2.804 2.853 . 0 0 "[ . 1 . 2]" 1
523 1 40 LEU H 1 40 LEU HB2 2.800 . 4.800 2.287 2.070 2.445 . 0 0 "[ . 1 . 2]" 1
524 1 40 LEU H 1 40 LEU HB3 2.800 . 4.800 2.938 2.630 3.509 . 0 0 "[ . 1 . 2]" 1
525 1 40 LEU H 1 40 LEU MD1 5.000 . 6.500 3.561 2.505 4.149 . 0 0 "[ . 1 . 2]" 1
526 1 40 LEU H 1 40 LEU MD2 5.000 . 6.500 4.152 2.285 4.339 . 0 0 "[ . 1 . 2]" 1
527 1 40 LEU H 1 40 LEU HG 2.800 . 5.300 4.374 4.026 4.519 . 0 0 "[ . 1 . 2]" 1
528 1 40 LEU H 1 41 GLN H 2.800 . 3.600 2.691 2.613 2.789 . 0 0 "[ . 1 . 2]" 1
529 1 40 LEU H 1 41 GLN HA 4.000 . 5.500 5.287 5.218 5.321 . 0 0 "[ . 1 . 2]" 1
530 1 40 LEU H 1 41 GLN HB3 4.000 . 6.000 5.433 5.077 6.098 0.098 3 0 "[ . 1 . 2]" 1
531 1 40 LEU H 1 42 ARG H 5.000 . 6.500 4.368 4.115 4.571 . 0 0 "[ . 1 . 2]" 1
532 1 40 LEU HA 1 40 LEU MD1 4.000 . 6.500 2.178 1.959 3.437 . 0 0 "[ . 1 . 2]" 1
533 1 40 LEU HA 1 40 LEU HG 4.000 . 6.500 2.603 2.182 3.596 . 0 0 "[ . 1 . 2]" 1
534 1 40 LEU HA 1 41 GLN H 4.000 . 4.800 3.513 3.471 3.582 . 0 0 "[ . 1 . 2]" 1
535 1 40 LEU HA 1 42 ARG H 5.000 . 6.500 4.244 4.007 4.347 . 0 0 "[ . 1 . 2]" 1
536 1 40 LEU HA 1 43 GLN H 4.000 . 4.800 3.242 2.966 3.420 . 0 0 "[ . 1 . 2]" 1
537 1 40 LEU HB2 1 40 LEU MD1 2.800 . 5.300 2.275 2.139 3.218 . 0 0 "[ . 1 . 2]" 1
538 1 40 LEU HB2 1 40 LEU MD2 2.800 . 5.300 2.526 2.359 3.140 . 0 0 "[ . 1 . 2]" 1
539 1 40 LEU HB2 1 40 LEU HG 2.800 . 5.300 2.980 2.459 3.041 . 0 0 "[ . 1 . 2]" 1
540 1 40 LEU HB2 1 41 GLN H 4.000 . 6.500 3.738 3.173 4.046 . 0 0 "[ . 1 . 2]" 1
541 1 40 LEU HB3 1 40 LEU HG 2.800 . 5.300 2.578 2.474 2.994 . 0 0 "[ . 1 . 2]" 1
542 1 40 LEU HB3 1 42 ARG H 5.000 . 6.500 5.258 5.094 5.509 . 0 0 "[ . 1 . 2]" 1
543 1 40 LEU MD1 1 41 GLN H 5.000 . 6.500 4.722 4.457 5.033 . 0 0 "[ . 1 . 2]" 1
544 1 40 LEU MD1 1 43 GLN H 6.000 . 6.500 4.686 3.994 5.909 . 0 0 "[ . 1 . 2]" 1
545 1 40 LEU MD1 1 43 GLN HB2 5.000 . 6.500 3.586 2.392 5.442 . 0 0 "[ . 1 . 2]" 1
546 1 40 LEU MD1 1 43 GLN HG2 5.000 . 6.500 4.616 2.955 5.645 . 0 0 "[ . 1 . 2]" 1
547 1 40 LEU MD2 1 41 GLN H 5.000 . 6.500 4.622 3.647 5.069 . 0 0 "[ . 1 . 2]" 1
548 1 40 LEU MD2 1 41 GLN HA 5.000 . 6.500 4.962 3.205 5.991 . 0 0 "[ . 1 . 2]" 1
549 1 40 LEU MD2 1 43 GLN HB3 5.000 . 6.500 5.341 3.874 6.480 . 0 0 "[ . 1 . 2]" 1
550 1 40 LEU HG 1 41 GLN H 4.000 . 6.500 4.580 4.147 5.443 . 0 0 "[ . 1 . 2]" 1
551 1 41 GLN H 1 41 GLN HA 2.800 . 3.600 2.833 2.787 2.873 . 0 0 "[ . 1 . 2]" 1
552 1 41 GLN H 1 41 GLN HB3 2.500 . 4.500 2.920 2.600 3.482 . 0 0 "[ . 1 . 2]" 1
553 1 41 GLN H 1 41 GLN HG2 4.000 . 6.500 4.337 2.048 4.683 . 0 0 "[ . 1 . 2]" 1
554 1 41 GLN H 1 41 GLN HG3 4.000 . 6.500 4.035 2.829 4.469 . 0 0 "[ . 1 . 2]" 1
555 1 41 GLN H 1 42 ARG H 2.800 . 3.600 2.658 2.506 2.778 . 0 0 "[ . 1 . 2]" 1
556 1 41 GLN HA 1 41 GLN HB3 2.800 . 5.300 2.925 2.447 3.028 . 0 0 "[ . 1 . 2]" 1
557 1 41 GLN HA 1 41 GLN HG2 4.000 . 6.500 2.991 2.104 3.725 . 0 0 "[ . 1 . 2]" 1
558 1 41 GLN HA 1 41 GLN HG3 4.000 . 6.500 2.610 2.365 3.742 . 0 0 "[ . 1 . 2]" 1
559 1 41 GLN HA 1 42 ARG H 4.000 . 4.800 3.539 3.512 3.563 . 0 0 "[ . 1 . 2]" 1
560 1 41 GLN HB3 1 42 ARG H 2.800 . 5.300 2.877 2.563 4.008 . 0 0 "[ . 1 . 2]" 1
561 1 41 GLN HG3 1 44 GLN H 5.000 . 6.500 5.866 5.217 6.387 . 0 0 "[ . 1 . 2]" 1
562 1 42 ARG H 1 42 ARG HA 2.800 . 3.600 2.882 2.855 2.909 . 0 0 "[ . 1 . 2]" 1
563 1 42 ARG H 1 42 ARG HB3 2.800 . 4.800 3.224 2.623 3.629 . 0 0 "[ . 1 . 2]" 1
564 1 42 ARG H 1 42 ARG HD3 5.000 . 6.500 4.770 3.593 5.973 . 0 0 "[ . 1 . 2]" 1
565 1 42 ARG H 1 42 ARG HG2 4.000 . 6.500 3.720 2.144 4.708 . 0 0 "[ . 1 . 2]" 1
566 1 42 ARG H 1 42 ARG HG3 2.800 . 5.300 3.452 2.297 4.555 . 0 0 "[ . 1 . 2]" 1
567 1 42 ARG H 1 43 GLN HA 4.000 . 5.500 5.120 5.008 5.207 . 0 0 "[ . 1 . 2]" 1
568 1 42 ARG HA 1 42 ARG HB3 2.800 . 5.300 2.715 2.429 3.020 . 0 0 "[ . 1 . 2]" 1
569 1 42 ARG HA 1 42 ARG HG2 4.000 . 6.500 2.735 2.129 3.844 . 0 0 "[ . 1 . 2]" 1
570 1 42 ARG HA 1 43 GLN H 4.000 . 4.800 3.512 3.501 3.525 . 0 0 "[ . 1 . 2]" 1
571 1 42 ARG HB3 1 43 GLN H 4.000 . 6.500 3.452 2.836 4.083 . 0 0 "[ . 1 . 2]" 1
572 1 42 ARG HG2 1 43 GLN H 5.000 . 6.500 4.735 3.038 5.265 . 0 0 "[ . 1 . 2]" 1
573 1 42 ARG HG3 1 43 GLN H 5.000 . 6.500 4.641 2.184 5.300 . 0 0 "[ . 1 . 2]" 1
574 1 43 GLN H 1 43 GLN HA 2.800 . 3.600 2.872 2.844 2.896 . 0 0 "[ . 1 . 2]" 1
575 1 43 GLN H 1 43 GLN HB2 2.800 . 4.800 2.331 2.094 2.481 . 0 0 "[ . 1 . 2]" 1
576 1 43 GLN H 1 43 GLN HB3 4.000 . 6.000 3.075 2.642 3.602 . 0 0 "[ . 1 . 2]" 1
577 1 43 GLN H 1 43 GLN HE22 5.000 . 6.500 5.904 4.733 6.507 0.007 5 0 "[ . 1 . 2]" 1
578 1 43 GLN H 1 43 GLN HG2 2.800 . 5.300 4.078 2.412 4.679 . 0 0 "[ . 1 . 2]" 1
579 1 43 GLN H 1 44 GLN H 4.000 . 4.800 2.525 2.425 2.720 . 0 0 "[ . 1 . 2]" 1
580 1 43 GLN HA 1 44 GLN H 4.000 . 4.800 3.537 3.493 3.581 . 0 0 "[ . 1 . 2]" 1
581 1 43 GLN HB2 1 44 GLN H 5.000 . 6.500 3.370 2.711 3.955 . 0 0 "[ . 1 . 2]" 1
582 1 43 GLN HE22 1 43 GLN HG2 4.000 . 6.500 3.842 3.517 4.115 . 0 0 "[ . 1 . 2]" 1
583 1 44 GLN H 1 44 GLN HB3 4.000 . 6.000 2.943 2.638 3.600 . 0 0 "[ . 1 . 2]" 1
584 1 44 GLN H 1 44 GLN HG2 4.000 . 6.500 3.855 2.022 4.639 . 0 0 "[ . 1 . 2]" 1
585 1 45 ASN HA 1 45 ASN HB3 2.800 . 4.800 2.835 2.577 3.021 . 0 0 "[ . 1 . 2]" 1
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