NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377272 |
1g2t   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1g2t
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 925
_Distance_constraint_stats_list.Viol_count 932
_Distance_constraint_stats_list.Viol_total 731.665
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0393
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 SER 0.010 0.010 15 0 "[ . 1 . 2]"
1 5 ASP 0.657 0.090 3 0 "[ . 1 . 2]"
1 6 ILE 0.285 0.046 4 0 "[ . 1 . 2]"
1 7 SER 1.524 0.089 15 0 "[ . 1 . 2]"
1 8 LYS 0.747 0.085 6 0 "[ . 1 . 2]"
1 9 THR 0.377 0.067 16 0 "[ . 1 . 2]"
1 10 CYS 0.897 0.075 12 0 "[ . 1 . 2]"
1 11 CYS 0.045 0.036 8 0 "[ . 1 . 2]"
1 12 PHE 1.468 0.089 9 0 "[ . 1 . 2]"
1 13 GLN 0.995 0.089 19 0 "[ . 1 . 2]"
1 14 TYR 1.408 0.087 8 0 "[ . 1 . 2]"
1 15 SER 1.067 0.089 17 0 "[ . 1 . 2]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.785 0.089 6 0 "[ . 1 . 2]"
1 18 PRO 0.314 0.034 1 0 "[ . 1 . 2]"
1 19 LEU 0.062 0.024 7 0 "[ . 1 . 2]"
1 20 PRO 0.091 0.032 15 0 "[ . 1 . 2]"
1 21 TRP 0.516 0.069 20 0 "[ . 1 . 2]"
1 22 THR 1.242 0.129 16 0 "[ . 1 . 2]"
1 23 TRP 3.286 0.133 5 0 "[ . 1 . 2]"
1 24 VAL 2.287 0.129 16 0 "[ . 1 . 2]"
1 25 ARG 0.056 0.018 19 0 "[ . 1 . 2]"
1 26 SER 2.168 0.087 7 0 "[ . 1 . 2]"
1 27 TYR 0.466 0.059 11 0 "[ . 1 . 2]"
1 28 GLU 0.103 0.028 1 0 "[ . 1 . 2]"
1 29 PHE 0.027 0.027 4 0 "[ . 1 . 2]"
1 30 THR 0.199 0.059 15 0 "[ . 1 . 2]"
1 31 SER 0.361 0.047 18 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.773 0.089 10 0 "[ . 1 . 2]"
1 34 CYS 0.336 0.075 12 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.216 0.086 3 0 "[ . 1 . 2]"
1 38 ALA 0.798 0.069 2 0 "[ . 1 . 2]"
1 39 VAL 0.154 0.049 15 0 "[ . 1 . 2]"
1 40 ILE 0.729 0.063 4 0 "[ . 1 . 2]"
1 41 PHE 0.241 0.031 20 0 "[ . 1 . 2]"
1 42 THR 3.477 0.143 12 0 "[ . 1 . 2]"
1 43 THR 0.360 0.050 20 0 "[ . 1 . 2]"
1 44 LYS 1.577 0.133 5 0 "[ . 1 . 2]"
1 45 ARG 0.079 0.039 19 0 "[ . 1 . 2]"
1 46 GLY 0.016 0.007 10 0 "[ . 1 . 2]"
1 47 LYS 1.185 0.087 12 0 "[ . 1 . 2]"
1 48 LYS 0.187 0.050 2 0 "[ . 1 . 2]"
1 49 VAL 1.087 0.095 18 0 "[ . 1 . 2]"
1 50 CYS 0.791 0.063 4 0 "[ . 1 . 2]"
1 51 THR 0.215 0.043 18 0 "[ . 1 . 2]"
1 52 HIS 1.421 0.091 10 0 "[ . 1 . 2]"
1 53 PRO 0.213 0.055 19 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.463 0.134 20 0 "[ . 1 . 2]"
1 56 LYS 0.131 0.064 17 0 "[ . 1 . 2]"
1 57 TRP 1.447 0.134 20 0 "[ . 1 . 2]"
1 58 VAL 1.537 0.100 14 0 "[ . 1 . 2]"
1 59 GLN 2.165 0.116 11 0 "[ . 1 . 2]"
1 60 LYS 2.120 0.116 11 0 "[ . 1 . 2]"
1 61 TYR 4.122 0.100 14 0 "[ . 1 . 2]"
1 62 ILE 0.826 0.071 20 0 "[ . 1 . 2]"
1 63 SER 0.652 0.043 11 0 "[ . 1 . 2]"
1 64 LEU 0.177 0.034 20 0 "[ . 1 . 2]"
1 65 LEU 1.687 0.090 10 0 "[ . 1 . 2]"
1 66 LYS 0.947 0.072 9 0 "[ . 1 . 2]"
1 67 THR 1.177 0.088 6 0 "[ . 1 . 2]"
1 68 PRO 0.005 0.005 1 0 "[ . 1 . 2]"
1 69 LYS 0.665 0.090 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ARG HA 1 3 GLY H 5.000 . 5.200 2.701 2.218 3.559 . 0 0 "[ . 1 . 2]" 1
2 1 4 SER H 1 5 ASP H 5.000 . 5.400 4.119 2.887 4.635 . 0 0 "[ . 1 . 2]" 1
3 1 4 SER HA 1 5 ASP H 2.700 . 2.900 2.532 2.260 2.910 0.010 15 0 "[ . 1 . 2]" 1
4 1 4 SER QB 1 5 ASP H 5.000 . 6.200 3.113 2.201 4.063 . 0 0 "[ . 1 . 2]" 1
5 1 5 ASP H 1 5 ASP HA 2.700 . 2.900 2.926 2.845 2.990 0.090 3 0 "[ . 1 . 2]" 1
6 1 5 ASP H 1 6 ILE H 5.000 . 5.400 3.503 1.949 4.673 . 0 0 "[ . 1 . 2]" 1
7 1 6 ILE H 1 6 ILE HB 2.700 . 2.900 2.526 2.388 2.666 . 0 0 "[ . 1 . 2]" 1
8 1 6 ILE H 1 6 ILE MD 5.000 . 6.700 3.399 2.197 3.867 . 0 0 "[ . 1 . 2]" 1
9 1 6 ILE H 1 7 SER H 2.700 . 3.100 2.912 2.617 3.108 0.008 14 0 "[ . 1 . 2]" 1
10 1 6 ILE HA 1 6 ILE MG 3.300 . 4.800 2.283 2.215 2.347 . 0 0 "[ . 1 . 2]" 1
11 1 6 ILE HA 1 7 SER H 2.700 . 2.900 2.850 2.678 2.946 0.046 4 0 "[ . 1 . 2]" 1
12 1 6 ILE HA 1 8 LYS H 3.300 . 3.500 3.396 3.116 3.546 0.046 9 0 "[ . 1 . 2]" 1
13 1 6 ILE HB 1 7 SER H 5.000 . 5.200 4.189 4.042 4.357 . 0 0 "[ . 1 . 2]" 1
14 1 6 ILE HB 1 7 SER QB 5.000 . 6.000 5.093 4.437 5.449 . 0 0 "[ . 1 . 2]" 1
15 1 6 ILE MD 1 7 SER H 5.000 . 6.700 4.987 4.230 5.586 . 0 0 "[ . 1 . 2]" 1
16 1 6 ILE MG 1 7 SER HA 5.000 . 6.500 4.164 4.016 4.558 . 0 0 "[ . 1 . 2]" 1
17 1 6 ILE MG 1 7 SER QB 5.000 . 7.500 5.062 4.707 5.296 . 0 0 "[ . 1 . 2]" 1
18 1 7 SER H 1 7 SER HA 2.700 . 2.900 2.966 2.825 2.989 0.089 15 0 "[ . 1 . 2]" 1
19 1 7 SER H 1 7 SER QB 2.700 . 3.900 2.466 2.045 2.912 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER QB 1 8 LYS H 5.000 . 6.200 3.762 2.485 4.083 . 0 0 "[ . 1 . 2]" 1
21 1 7 SER QB 1 40 ILE MD 5.000 . 7.500 5.119 3.910 5.460 . 0 0 "[ . 1 . 2]" 1
22 1 8 LYS H 1 8 LYS HA 2.700 . 2.900 2.909 2.845 2.985 0.085 6 0 "[ . 1 . 2]" 1
23 1 8 LYS H 1 8 LYS QB 3.300 . 4.500 2.252 1.932 3.299 . 0 0 "[ . 1 . 2]" 1
24 1 8 LYS H 1 8 LYS QD 3.300 . 5.000 3.852 2.232 4.507 . 0 0 "[ . 1 . 2]" 1
25 1 8 LYS H 1 8 LYS QG 2.700 . 4.400 2.848 1.900 4.021 . 0 0 "[ . 1 . 2]" 1
26 1 8 LYS HA 1 8 LYS QD 3.300 . 4.800 3.561 1.955 4.257 . 0 0 "[ . 1 . 2]" 1
27 1 8 LYS HA 1 9 THR H 2.700 . 2.900 2.593 2.226 2.944 0.044 11 0 "[ . 1 . 2]" 1
28 1 8 LYS HA 1 9 THR MG 5.000 . 6.500 4.947 4.023 5.546 . 0 0 "[ . 1 . 2]" 1
29 1 8 LYS QB 1 9 THR H 5.000 . 6.200 3.434 1.916 4.042 . 0 0 "[ . 1 . 2]" 1
30 1 8 LYS QG 1 9 THR H 5.000 . 6.700 3.946 2.136 4.734 . 0 0 "[ . 1 . 2]" 1
31 1 9 THR H 1 9 THR HB 2.700 . 2.900 2.862 2.462 2.967 0.067 16 0 "[ . 1 . 2]" 1
32 1 9 THR HA 1 9 THR HB 2.700 . 3.700 2.781 2.455 3.036 . 0 0 "[ . 1 . 2]" 1
33 1 9 THR HA 1 9 THR MG 3.300 . 4.800 2.670 2.031 3.205 . 0 0 "[ . 1 . 2]" 1
34 1 9 THR HB 1 40 ILE MD 5.000 . 7.500 4.918 2.841 6.241 . 0 0 "[ . 1 . 2]" 1
35 1 9 THR MG 1 10 CYS H 3.300 . 5.000 3.289 2.252 3.912 . 0 0 "[ . 1 . 2]" 1
36 1 9 THR MG 1 10 CYS HA 5.000 . 6.500 4.214 3.219 4.969 . 0 0 "[ . 1 . 2]" 1
37 1 9 THR MG 1 40 ILE MD 3.300 . 6.300 3.672 2.646 4.382 . 0 0 "[ . 1 . 2]" 1
38 1 10 CYS H 1 10 CYS HB2 2.700 . 2.900 2.389 2.055 2.495 . 0 0 "[ . 1 . 2]" 1
39 1 10 CYS H 1 10 CYS HB3 3.300 . 3.500 3.518 3.382 3.558 0.058 20 0 "[ . 1 . 2]" 1
40 1 10 CYS H 1 11 CYS H 5.000 . 5.400 4.530 4.365 4.643 . 0 0 "[ . 1 . 2]" 1
41 1 10 CYS HA 1 11 CYS H 2.700 . 2.900 2.683 2.514 2.874 . 0 0 "[ . 1 . 2]" 1
42 1 10 CYS HA 1 30 THR HA 5.000 . 5.000 4.046 3.074 4.448 . 0 0 "[ . 1 . 2]" 1
43 1 10 CYS HA 1 30 THR MG 5.000 . 6.500 2.239 1.931 2.816 . 0 0 "[ . 1 . 2]" 1
44 1 10 CYS HA 1 34 CYS QB 5.000 . 6.000 3.266 2.701 4.714 . 0 0 "[ . 1 . 2]" 1
45 1 10 CYS HA 1 38 ALA MB 5.000 . 6.500 4.992 4.381 5.303 . 0 0 "[ . 1 . 2]" 1
46 1 10 CYS HA 1 40 ILE MD 5.000 . 6.500 4.290 3.508 4.686 . 0 0 "[ . 1 . 2]" 1
47 1 10 CYS QB 1 30 THR HB 5.000 . 6.000 4.631 3.076 5.224 . 0 0 "[ . 1 . 2]" 1
48 1 10 CYS HB2 1 11 CYS H 3.300 . 3.500 3.261 2.782 3.504 0.004 17 0 "[ . 1 . 2]" 1
49 1 10 CYS HB2 1 12 PHE QE 5.000 . 7.000 4.342 2.460 5.424 . 0 0 "[ . 1 . 2]" 1
50 1 10 CYS HB2 1 30 THR MG 5.000 . 6.500 4.656 4.294 5.082 . 0 0 "[ . 1 . 2]" 1
51 1 10 CYS HB2 1 34 CYS HA 5.000 . 5.000 4.898 4.635 5.070 0.070 15 0 "[ . 1 . 2]" 1
52 1 10 CYS HB2 1 34 CYS QB 5.000 . 6.000 4.152 2.974 5.003 . 0 0 "[ . 1 . 2]" 1
53 1 10 CYS HB3 1 11 CYS H 2.700 . 2.900 2.192 1.944 2.499 . 0 0 "[ . 1 . 2]" 1
54 1 10 CYS HB3 1 12 PHE QD 5.000 . 7.000 4.545 2.682 5.886 . 0 0 "[ . 1 . 2]" 1
55 1 10 CYS HB3 1 30 THR MG 5.000 . 6.500 3.911 3.408 4.372 . 0 0 "[ . 1 . 2]" 1
56 1 10 CYS HB3 1 34 CYS HA 5.000 . 5.000 4.241 3.674 5.075 0.075 12 0 "[ . 1 . 2]" 1
57 1 10 CYS HB3 1 34 CYS QB 5.000 . 6.000 2.931 2.191 4.715 . 0 0 "[ . 1 . 2]" 1
58 1 11 CYS H 1 11 CYS QB 2.700 . 3.900 2.470 2.199 2.624 . 0 0 "[ . 1 . 2]" 1
59 1 11 CYS H 1 30 THR MG 3.300 . 5.000 2.847 2.261 3.358 . 0 0 "[ . 1 . 2]" 1
60 1 11 CYS H 1 34 CYS QB 5.000 . 6.200 3.930 3.027 4.891 . 0 0 "[ . 1 . 2]" 1
61 1 11 CYS H 1 38 ALA MB 5.000 . 6.200 3.825 3.098 4.210 . 0 0 "[ . 1 . 2]" 1
62 1 11 CYS HA 1 30 THR MG 3.300 . 4.800 4.005 3.795 4.093 . 0 0 "[ . 1 . 2]" 1
63 1 11 CYS HA 1 38 ALA MB 5.000 . 6.000 4.463 4.164 4.730 . 0 0 "[ . 1 . 2]" 1
64 1 11 CYS HA 1 50 CYS QB 3.300 . 4.300 3.539 3.190 3.884 . 0 0 "[ . 1 . 2]" 1
65 1 11 CYS QB 1 12 PHE H 5.000 . 6.200 3.065 2.252 3.770 . 0 0 "[ . 1 . 2]" 1
66 1 11 CYS QB 1 14 TYR QD 5.000 . 8.000 3.784 3.386 4.505 . 0 0 "[ . 1 . 2]" 1
67 1 11 CYS QB 1 14 TYR QE 5.000 . 8.000 2.222 1.885 3.545 . 0 0 "[ . 1 . 2]" 1
68 1 11 CYS QB 1 30 THR MG 5.000 . 7.500 2.413 2.084 2.693 . 0 0 "[ . 1 . 2]" 1
69 1 11 CYS QB 1 38 ALA MB 5.000 . 7.000 1.972 1.764 2.218 0.036 8 0 "[ . 1 . 2]" 1
70 1 11 CYS QB 1 50 CYS HA 5.000 . 6.000 4.119 3.857 4.439 . 0 0 "[ . 1 . 2]" 1
71 1 11 CYS QB 1 50 CYS QB 5.000 . 7.000 2.176 1.882 2.678 . 0 0 "[ . 1 . 2]" 1
72 1 12 PHE H 1 12 PHE HA 2.700 . 2.900 2.973 2.936 2.989 0.089 9 0 "[ . 1 . 2]" 1
73 1 12 PHE H 1 12 PHE QD 5.000 . 7.200 3.175 2.361 4.198 . 0 0 "[ . 1 . 2]" 1
74 1 12 PHE H 1 13 GLN H 3.300 . 3.700 2.363 1.958 2.886 . 0 0 "[ . 1 . 2]" 1
75 1 12 PHE HA 1 12 PHE QD 3.300 . 5.300 2.975 2.071 3.710 . 0 0 "[ . 1 . 2]" 1
76 1 12 PHE HA 1 14 TYR QD 5.000 . 7.000 5.549 5.087 6.195 . 0 0 "[ . 1 . 2]" 1
77 1 12 PHE HA 1 14 TYR QE 5.000 . 7.000 4.366 3.833 4.997 . 0 0 "[ . 1 . 2]" 1
78 1 12 PHE HA 1 36 GLN QB 5.000 . 6.000 4.300 3.552 5.077 . 0 0 "[ . 1 . 2]" 1
79 1 12 PHE QB 1 13 GLN H 3.300 . 4.500 3.144 2.100 4.051 . 0 0 "[ . 1 . 2]" 1
80 1 12 PHE QB 1 13 GLN HA 5.000 . 6.000 4.344 3.922 4.776 . 0 0 "[ . 1 . 2]" 1
81 1 12 PHE QB 1 36 GLN QB 5.000 . 7.000 5.404 4.861 5.648 . 0 0 "[ . 1 . 2]" 1
82 1 13 GLN H 1 13 GLN HA 2.700 . 2.900 2.950 2.903 2.989 0.089 19 0 "[ . 1 . 2]" 1
83 1 13 GLN H 1 13 GLN QB 2.700 . 3.900 2.577 2.002 3.255 . 0 0 "[ . 1 . 2]" 1
84 1 13 GLN H 1 13 GLN QG 3.300 . 5.000 3.305 1.905 4.326 . 0 0 "[ . 1 . 2]" 1
85 1 13 GLN H 1 14 TYR H 5.000 . 5.400 4.276 3.408 4.635 . 0 0 "[ . 1 . 2]" 1
86 1 13 GLN H 1 50 CYS QB 5.000 . 6.200 3.515 2.854 4.290 . 0 0 "[ . 1 . 2]" 1
87 1 13 GLN HA 1 13 GLN QG 3.300 . 4.800 2.523 1.931 3.345 . 0 0 "[ . 1 . 2]" 1
88 1 13 GLN HA 1 14 TYR QB 5.000 . 6.000 4.372 4.159 4.588 . 0 0 "[ . 1 . 2]" 1
89 1 13 GLN HA 1 14 TYR QD 5.000 . 7.000 4.154 3.496 4.668 . 0 0 "[ . 1 . 2]" 1
90 1 13 GLN HA 1 14 TYR QE 5.000 . 7.000 4.873 4.177 5.473 . 0 0 "[ . 1 . 2]" 1
91 1 13 GLN QB 1 14 TYR H 3.300 . 4.500 3.283 2.289 4.050 . 0 0 "[ . 1 . 2]" 1
92 1 13 GLN QG 1 14 TYR H 5.000 . 6.700 3.437 2.376 4.290 . 0 0 "[ . 1 . 2]" 1
93 1 14 TYR H 1 14 TYR HA 2.700 . 2.900 2.970 2.941 2.987 0.087 8 0 "[ . 1 . 2]" 1
94 1 14 TYR H 1 14 TYR QB 2.700 . 3.900 2.545 2.282 2.721 . 0 0 "[ . 1 . 2]" 1
95 1 14 TYR H 1 14 TYR QD 2.700 . 4.900 3.285 1.956 3.577 . 0 0 "[ . 1 . 2]" 1
96 1 14 TYR H 1 14 TYR QE 5.000 . 7.200 4.807 3.983 5.267 . 0 0 "[ . 1 . 2]" 1
97 1 14 TYR HA 1 14 TYR QD 3.300 . 5.300 2.203 1.945 2.945 . 0 0 "[ . 1 . 2]" 1
98 1 14 TYR HA 1 14 TYR QE 3.300 . 5.300 4.375 4.265 4.651 . 0 0 "[ . 1 . 2]" 1
99 1 14 TYR HA 1 50 CYS H 5.000 . 5.200 4.668 4.268 5.179 . 0 0 "[ . 1 . 2]" 1
100 1 14 TYR HA 1 50 CYS QB 3.300 . 4.300 3.371 3.012 3.751 . 0 0 "[ . 1 . 2]" 1
101 1 14 TYR HA 1 51 THR HA 3.300 . 3.300 2.863 2.402 3.278 . 0 0 "[ . 1 . 2]" 1
102 1 14 TYR QB 1 15 SER H 3.300 . 4.500 3.147 2.731 3.515 . 0 0 "[ . 1 . 2]" 1
103 1 14 TYR QB 1 50 CYS QB 5.000 . 7.000 4.709 4.439 5.061 . 0 0 "[ . 1 . 2]" 1
104 1 14 TYR QB 1 51 THR HA 3.300 . 4.300 2.701 2.104 3.274 . 0 0 "[ . 1 . 2]" 1
105 1 14 TYR QB 1 52 HIS H 5.000 . 6.200 3.313 2.625 3.832 . 0 0 "[ . 1 . 2]" 1
106 1 14 TYR QD 1 15 SER H 5.000 . 7.200 3.958 3.699 4.273 . 0 0 "[ . 1 . 2]" 1
107 1 14 TYR QD 1 38 ALA HA 5.000 . 7.000 5.747 5.022 6.103 . 0 0 "[ . 1 . 2]" 1
108 1 14 TYR QD 1 38 ALA MB 3.300 . 6.300 3.611 3.259 4.000 . 0 0 "[ . 1 . 2]" 1
109 1 14 TYR QD 1 50 CYS HA 5.000 . 7.000 4.445 3.960 5.313 . 0 0 "[ . 1 . 2]" 1
110 1 14 TYR QD 1 50 CYS QB 5.000 . 8.000 2.733 2.332 3.741 . 0 0 "[ . 1 . 2]" 1
111 1 14 TYR QD 1 51 THR HA 3.300 . 5.300 2.290 1.985 2.730 . 0 0 "[ . 1 . 2]" 1
112 1 14 TYR QD 1 51 THR HB 5.000 . 7.000 4.665 4.296 5.201 . 0 0 "[ . 1 . 2]" 1
113 1 14 TYR QD 1 52 HIS HA 3.300 . 5.300 4.352 3.589 4.754 . 0 0 "[ . 1 . 2]" 1
114 1 14 TYR QE 1 38 ALA HA 5.000 . 7.000 4.269 3.544 4.585 . 0 0 "[ . 1 . 2]" 1
115 1 14 TYR QE 1 38 ALA MB 3.300 . 6.300 1.993 1.805 2.263 . 0 0 "[ . 1 . 2]" 1
116 1 14 TYR QE 1 39 VAL H 5.000 . 7.200 4.513 3.995 5.097 . 0 0 "[ . 1 . 2]" 1
117 1 14 TYR QE 1 50 CYS HA 5.000 . 7.000 4.760 4.153 5.749 . 0 0 "[ . 1 . 2]" 1
118 1 14 TYR QE 1 50 CYS QB 5.000 . 8.000 2.761 2.378 3.981 . 0 0 "[ . 1 . 2]" 1
119 1 14 TYR QE 1 51 THR HA 5.000 . 7.000 4.251 3.864 4.702 . 0 0 "[ . 1 . 2]" 1
120 1 14 TYR QE 1 52 HIS HA 5.000 . 7.000 4.050 2.774 4.483 . 0 0 "[ . 1 . 2]" 1
121 1 15 SER H 1 15 SER HA 2.700 . 2.900 2.950 2.901 2.989 0.089 17 0 "[ . 1 . 2]" 1
122 1 15 SER H 1 15 SER QB 2.700 . 3.900 2.385 1.993 2.851 . 0 0 "[ . 1 . 2]" 1
123 1 15 SER H 1 49 VAL MG1 5.000 . 6.700 3.362 2.937 3.793 . 0 0 "[ . 1 . 2]" 1
124 1 15 SER H 1 50 CYS H 5.000 . 5.400 4.995 4.579 5.360 . 0 0 "[ . 1 . 2]" 1
125 1 15 SER H 1 50 CYS HB2 5.000 . 5.200 5.015 4.543 5.214 0.014 14 0 "[ . 1 . 2]" 1
126 1 15 SER H 1 51 THR HA 3.300 . 3.500 3.271 3.042 3.516 0.016 14 0 "[ . 1 . 2]" 1
127 1 15 SER H 1 51 THR MG 5.000 . 6.700 2.687 2.357 2.987 . 0 0 "[ . 1 . 2]" 1
128 1 15 SER HA 1 49 VAL MG1 5.000 . 6.500 4.626 3.993 5.206 . 0 0 "[ . 1 . 2]" 1
129 1 15 SER QB 1 16 HIS HA 5.000 . 6.000 4.363 3.829 5.079 . 0 0 "[ . 1 . 2]" 1
130 1 15 SER QB 1 16 HIS HD1 5.000 . 8.000 5.405 3.798 6.328 . 0 0 "[ . 1 . 2]" 1
131 1 15 SER QB 1 17 LYS H 5.000 . 6.200 3.469 2.679 4.017 . 0 0 "[ . 1 . 2]" 1
132 1 15 SER QB 1 17 LYS QB 5.000 . 7.000 3.921 3.134 5.429 . 0 0 "[ . 1 . 2]" 1
133 1 15 SER QB 1 17 LYS QG 5.000 . 7.000 4.385 2.020 5.444 . 0 0 "[ . 1 . 2]" 1
134 1 15 SER QB 1 49 VAL HB 5.000 . 6.000 4.884 4.202 5.292 . 0 0 "[ . 1 . 2]" 1
135 1 15 SER QB 1 49 VAL MG1 2.700 . 5.200 2.523 1.831 2.871 . 0 0 "[ . 1 . 2]" 1
136 1 15 SER QB 1 49 VAL MG2 5.000 . 7.500 4.292 3.503 4.682 . 0 0 "[ . 1 . 2]" 1
137 1 15 SER QB 1 51 THR MG 3.300 . 5.800 3.306 2.723 4.052 . 0 0 "[ . 1 . 2]" 1
138 1 16 HIS HA 1 17 LYS H 3.300 . 3.500 2.648 2.348 3.082 . 0 0 "[ . 1 . 2]" 1
139 1 16 HIS HA 1 17 LYS HA 5.000 . 5.000 4.439 4.405 4.570 . 0 0 "[ . 1 . 2]" 1
140 1 16 HIS HA 1 18 PRO QD 5.000 . 6.500 5.695 5.491 5.808 . 0 0 "[ . 1 . 2]" 1
141 1 16 HIS QB 1 17 LYS H 5.000 . 6.200 3.966 3.756 4.067 . 0 0 "[ . 1 . 2]" 1
142 1 17 LYS H 1 17 LYS HA 2.700 . 2.900 2.936 2.871 2.989 0.089 6 0 "[ . 1 . 2]" 1
143 1 17 LYS H 1 17 LYS QB 2.700 . 3.900 2.795 2.260 3.299 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS H 1 17 LYS QG 3.300 . 5.000 3.315 2.188 4.167 . 0 0 "[ . 1 . 2]" 1
145 1 17 LYS H 1 18 PRO QD 5.000 . 6.700 4.266 4.011 4.408 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS HA 1 18 PRO HA 5.000 . 5.000 4.417 4.403 4.460 . 0 0 "[ . 1 . 2]" 1
147 1 17 LYS HA 1 18 PRO QD 2.700 . 4.200 2.047 2.006 2.100 . 0 0 "[ . 1 . 2]" 1
148 1 17 LYS HA 1 18 PRO QG 5.000 . 6.500 3.966 3.909 4.017 . 0 0 "[ . 1 . 2]" 1
149 1 18 PRO HA 1 19 LEU H 2.700 . 2.900 2.237 2.196 2.283 . 0 0 "[ . 1 . 2]" 1
150 1 18 PRO HA 1 19 LEU HA 5.000 . 5.000 4.543 4.483 4.581 . 0 0 "[ . 1 . 2]" 1
151 1 18 PRO HA 1 19 LEU QB 5.000 . 6.000 4.025 3.952 4.100 . 0 0 "[ . 1 . 2]" 1
152 1 18 PRO HA 1 21 TRP HD1 5.000 . 7.000 6.985 6.617 7.034 0.034 1 0 "[ . 1 . 2]" 1
153 1 18 PRO HA 1 21 TRP HZ2 5.000 . 7.000 6.236 5.892 6.711 . 0 0 "[ . 1 . 2]" 1
154 1 18 PRO QD 1 19 LEU QB 5.000 . 7.500 5.886 5.763 5.989 . 0 0 "[ . 1 . 2]" 1
155 1 18 PRO QG 1 21 TRP HZ2 5.000 . 8.500 7.629 7.619 7.639 . 0 0 "[ . 1 . 2]" 1
156 1 19 LEU H 1 19 LEU QB 2.700 . 3.900 2.027 1.952 2.169 . 0 0 "[ . 1 . 2]" 1
157 1 19 LEU H 1 19 LEU QD 3.300 . 5.000 3.472 3.296 3.575 . 0 0 "[ . 1 . 2]" 1
158 1 19 LEU H 1 19 LEU HG 3.300 . 5.000 4.176 3.976 4.446 . 0 0 "[ . 1 . 2]" 1
159 1 19 LEU H 1 57 TRP HE3 5.000 . 7.200 5.514 4.811 7.111 . 0 0 "[ . 1 . 2]" 1
160 1 19 LEU H 1 57 TRP HH2 3.300 . 5.500 3.802 1.944 4.968 . 0 0 "[ . 1 . 2]" 1
161 1 19 LEU H 1 57 TRP HZ2 5.000 . 7.200 5.427 2.038 6.718 . 0 0 "[ . 1 . 2]" 1
162 1 19 LEU H 1 57 TRP HZ3 5.000 . 7.200 3.796 2.852 5.754 . 0 0 "[ . 1 . 2]" 1
163 1 19 LEU H 1 61 TYR QD 5.000 . 7.200 4.739 4.016 5.145 . 0 0 "[ . 1 . 2]" 1
164 1 19 LEU HA 1 20 PRO QB 5.000 . 6.000 4.613 4.600 4.626 . 0 0 "[ . 1 . 2]" 1
165 1 19 LEU HA 1 20 PRO QD 5.000 . 6.500 2.060 1.985 2.102 . 0 0 "[ . 1 . 2]" 1
166 1 19 LEU HA 1 20 PRO QG 5.000 . 6.500 3.961 3.883 4.005 . 0 0 "[ . 1 . 2]" 1
167 1 19 LEU HA 1 23 TRP HE3 5.000 . 7.000 6.543 5.471 7.024 0.024 7 0 "[ . 1 . 2]" 1
168 1 19 LEU QB 1 21 TRP HD1 5.000 . 8.000 6.067 5.708 6.278 . 0 0 "[ . 1 . 2]" 1
169 1 19 LEU QB 1 21 TRP HH2 5.000 . 8.000 6.763 6.435 7.094 . 0 0 "[ . 1 . 2]" 1
170 1 19 LEU QB 1 21 TRP HZ2 5.000 . 8.000 6.297 6.033 6.575 . 0 0 "[ . 1 . 2]" 1
171 1 19 LEU QB 1 24 VAL MG2 5.000 . 7.500 2.019 1.823 2.206 . 0 0 "[ . 1 . 2]" 1
172 1 19 LEU QB 1 57 TRP HZ3 5.000 . 8.000 4.404 3.769 5.364 . 0 0 "[ . 1 . 2]" 1
173 1 19 LEU QD 1 21 TRP HA 5.000 . 6.500 4.332 3.920 4.602 . 0 0 "[ . 1 . 2]" 1
174 1 19 LEU QD 1 23 TRP QB 5.000 . 7.500 2.832 2.450 3.384 . 0 0 "[ . 1 . 2]" 1
175 1 19 LEU QD 1 23 TRP HD1 5.000 . 8.500 5.817 5.522 6.287 . 0 0 "[ . 1 . 2]" 1
176 1 19 LEU QD 1 23 TRP HE3 5.000 . 8.500 3.533 2.785 4.126 . 0 0 "[ . 1 . 2]" 1
177 1 19 LEU QD 1 23 TRP HZ3 5.000 . 8.500 5.090 4.292 5.543 . 0 0 "[ . 1 . 2]" 1
178 1 19 LEU QD 1 43 THR HA 5.000 . 6.500 3.459 2.968 3.933 . 0 0 "[ . 1 . 2]" 1
179 1 19 LEU QD 1 43 THR HB 5.000 . 6.500 3.636 3.145 4.009 . 0 0 "[ . 1 . 2]" 1
180 1 19 LEU QD 1 57 TRP HZ3 5.000 . 8.500 5.165 4.852 5.689 . 0 0 "[ . 1 . 2]" 1
181 1 20 PRO HA 1 20 PRO QD 3.300 . 4.800 3.356 3.297 3.390 . 0 0 "[ . 1 . 2]" 1
182 1 20 PRO HA 1 20 PRO QG 3.300 . 4.800 3.503 3.494 3.510 . 0 0 "[ . 1 . 2]" 1
183 1 20 PRO HA 1 22 THR H 5.000 . 5.200 3.656 3.576 3.921 . 0 0 "[ . 1 . 2]" 1
184 1 20 PRO QB 1 21 TRP H 5.000 . 6.200 3.646 3.608 3.705 . 0 0 "[ . 1 . 2]" 1
185 1 20 PRO QB 1 22 THR H 5.000 . 6.200 2.950 2.841 3.227 . 0 0 "[ . 1 . 2]" 1
186 1 20 PRO QB 1 23 TRP H 3.300 . 4.500 2.910 2.726 3.183 . 0 0 "[ . 1 . 2]" 1
187 1 20 PRO QB 1 23 TRP QB 5.000 . 7.000 3.293 2.840 4.043 . 0 0 "[ . 1 . 2]" 1
188 1 20 PRO QB 1 23 TRP HE1 5.000 . 8.000 6.062 4.556 7.004 . 0 0 "[ . 1 . 2]" 1
189 1 20 PRO QD 1 23 TRP HD1 5.000 . 8.500 6.696 6.374 7.089 . 0 0 "[ . 1 . 2]" 1
190 1 20 PRO QD 1 23 TRP HE3 5.000 . 8.500 4.220 3.178 4.728 . 0 0 "[ . 1 . 2]" 1
191 1 20 PRO QD 1 23 TRP HZ3 5.000 . 8.500 5.649 3.864 6.417 . 0 0 "[ . 1 . 2]" 1
192 1 20 PRO QD 1 24 VAL MG1 5.000 . 8.000 5.653 5.358 5.773 . 0 0 "[ . 1 . 2]" 1
193 1 20 PRO QD 1 24 VAL MG2 3.300 . 6.300 3.514 3.290 3.695 . 0 0 "[ . 1 . 2]" 1
194 1 20 PRO QG 1 21 TRP H 5.000 . 6.700 4.761 4.746 4.772 . 0 0 "[ . 1 . 2]" 1
195 1 20 PRO QG 1 23 TRP H 5.000 . 6.700 3.044 2.919 3.204 . 0 0 "[ . 1 . 2]" 1
196 1 20 PRO QG 1 23 TRP HD1 5.000 . 8.500 4.828 4.469 5.225 . 0 0 "[ . 1 . 2]" 1
197 1 20 PRO QG 1 23 TRP HE1 5.000 . 8.500 5.752 4.795 6.324 . 0 0 "[ . 1 . 2]" 1
198 1 20 PRO QG 1 23 TRP HZ2 5.000 . 8.500 6.158 4.578 7.066 . 0 0 "[ . 1 . 2]" 1
199 1 20 PRO O 1 23 TRP H 2.300 . 2.300 1.782 1.668 2.006 0.032 15 0 "[ . 1 . 2]" 1
200 1 21 TRP H 1 21 TRP QB 2.700 . 3.900 2.351 2.290 2.408 . 0 0 "[ . 1 . 2]" 1
201 1 21 TRP H 1 21 TRP HD1 5.000 . 7.200 2.276 2.037 2.614 . 0 0 "[ . 1 . 2]" 1
202 1 21 TRP H 1 21 TRP HE3 5.000 . 7.200 4.975 4.843 5.152 . 0 0 "[ . 1 . 2]" 1
203 1 21 TRP H 1 22 THR H 3.300 . 3.700 2.909 2.848 2.995 . 0 0 "[ . 1 . 2]" 1
204 1 21 TRP H 1 23 TRP H 5.000 . 5.400 4.471 4.289 4.646 . 0 0 "[ . 1 . 2]" 1
205 1 21 TRP H 1 24 VAL MG2 5.000 . 6.700 3.247 3.051 3.446 . 0 0 "[ . 1 . 2]" 1
206 1 21 TRP H 1 61 TYR QE 5.000 . 7.200 5.058 4.306 5.721 . 0 0 "[ . 1 . 2]" 1
207 1 21 TRP HA 1 21 TRP HD1 5.000 . 7.000 4.126 3.967 4.231 . 0 0 "[ . 1 . 2]" 1
208 1 21 TRP HA 1 21 TRP HE3 3.300 . 5.300 2.908 2.593 3.212 . 0 0 "[ . 1 . 2]" 1
209 1 21 TRP HA 1 21 TRP HZ3 5.000 . 7.000 4.990 4.699 5.269 . 0 0 "[ . 1 . 2]" 1
210 1 21 TRP HA 1 22 THR H 5.000 . 5.200 3.522 3.504 3.570 . 0 0 "[ . 1 . 2]" 1
211 1 21 TRP HA 1 23 TRP H 5.000 . 5.200 4.003 3.830 4.255 . 0 0 "[ . 1 . 2]" 1
212 1 21 TRP HA 1 24 VAL H 5.000 . 5.200 2.938 2.769 3.181 . 0 0 "[ . 1 . 2]" 1
213 1 21 TRP HA 1 24 VAL HB 5.000 . 5.000 2.017 1.905 2.297 . 0 0 "[ . 1 . 2]" 1
214 1 21 TRP HA 1 24 VAL MG1 3.300 . 4.800 3.361 3.230 3.545 . 0 0 "[ . 1 . 2]" 1
215 1 21 TRP HA 1 24 VAL MG2 3.300 . 4.800 1.903 1.847 2.083 . 0 0 "[ . 1 . 2]" 1
216 1 21 TRP QB 1 22 THR H 3.300 . 4.500 2.777 2.615 2.865 . 0 0 "[ . 1 . 2]" 1
217 1 21 TRP QB 1 22 THR MG 5.000 . 7.500 3.616 3.401 4.060 . 0 0 "[ . 1 . 2]" 1
218 1 21 TRP HD1 1 22 THR H 5.000 . 7.200 4.630 4.396 4.865 . 0 0 "[ . 1 . 2]" 1
219 1 21 TRP HD1 1 22 THR HA 5.000 . 7.000 6.907 6.793 7.040 0.040 17 0 "[ . 1 . 2]" 1
220 1 21 TRP HD1 1 22 THR MG 3.300 . 6.800 5.448 5.218 5.551 . 0 0 "[ . 1 . 2]" 1
221 1 21 TRP HE1 1 64 LEU MD1 5.000 . 8.500 4.527 3.707 5.967 . 0 0 "[ . 1 . 2]" 1
222 1 21 TRP HE3 1 24 VAL HB 5.000 . 7.000 2.994 2.493 3.276 . 0 0 "[ . 1 . 2]" 1
223 1 21 TRP HE3 1 24 VAL MG2 5.000 . 8.500 3.832 3.356 4.139 . 0 0 "[ . 1 . 2]" 1
224 1 21 TRP HE3 1 61 TYR HA 5.000 . 7.000 6.296 5.794 6.869 . 0 0 "[ . 1 . 2]" 1
225 1 21 TRP HH2 1 24 VAL HB 5.000 . 7.000 6.301 5.980 6.565 . 0 0 "[ . 1 . 2]" 1
226 1 21 TRP HH2 1 64 LEU H 5.000 . 7.200 4.046 3.407 4.735 . 0 0 "[ . 1 . 2]" 1
227 1 21 TRP HH2 1 64 LEU QB 5.000 . 8.000 1.953 1.798 2.263 0.002 12 0 "[ . 1 . 2]" 1
228 1 21 TRP HH2 1 64 LEU MD1 5.000 . 8.500 2.656 1.867 3.649 . 0 0 "[ . 1 . 2]" 1
229 1 21 TRP HH2 1 65 LEU H 5.000 . 7.200 3.444 2.279 4.446 . 0 0 "[ . 1 . 2]" 1
230 1 21 TRP HH2 1 65 LEU HA 5.000 . 7.000 4.769 3.682 5.747 . 0 0 "[ . 1 . 2]" 1
231 1 21 TRP HH2 1 65 LEU MD1 5.000 . 8.500 4.335 3.677 5.380 . 0 0 "[ . 1 . 2]" 1
232 1 21 TRP HH2 1 65 LEU MD2 3.300 . 6.800 3.877 3.097 4.126 . 0 0 "[ . 1 . 2]" 1
233 1 21 TRP HH2 1 65 LEU HG 5.000 . 8.500 3.363 2.600 6.293 . 0 0 "[ . 1 . 2]" 1
234 1 21 TRP HZ2 1 24 VAL HB 5.000 . 7.000 6.837 6.637 7.069 0.069 20 0 "[ . 1 . 2]" 1
235 1 21 TRP HZ2 1 64 LEU QB 5.000 . 8.000 3.520 2.891 4.069 . 0 0 "[ . 1 . 2]" 1
236 1 21 TRP HZ2 1 64 LEU MD1 5.000 . 8.500 2.642 2.119 3.967 . 0 0 "[ . 1 . 2]" 1
237 1 21 TRP HZ2 1 65 LEU MD2 3.300 . 6.800 5.499 4.826 5.599 . 0 0 "[ . 1 . 2]" 1
238 1 21 TRP HZ2 1 65 LEU HG 5.000 . 8.500 5.495 4.687 8.278 . 0 0 "[ . 1 . 2]" 1
239 1 21 TRP HZ3 1 24 VAL MG1 5.000 . 8.500 3.204 2.676 3.689 . 0 0 "[ . 1 . 2]" 1
240 1 21 TRP HZ3 1 64 LEU H 5.000 . 7.200 5.333 4.495 5.929 . 0 0 "[ . 1 . 2]" 1
241 1 21 TRP HZ3 1 64 LEU MD1 5.000 . 8.500 4.373 3.497 5.238 . 0 0 "[ . 1 . 2]" 1
242 1 21 TRP HZ3 1 65 LEU HA 5.000 . 7.000 3.113 1.946 3.881 . 0 0 "[ . 1 . 2]" 1
243 1 21 TRP HZ3 1 65 LEU HG 5.000 . 8.500 2.546 1.922 5.269 . 0 0 "[ . 1 . 2]" 1
244 1 21 TRP O 1 24 VAL H 2.300 . 2.300 2.092 1.814 2.321 0.021 11 0 "[ . 1 . 2]" 1
245 1 22 THR H 1 22 THR HA 2.700 . 2.900 2.837 2.818 2.872 . 0 0 "[ . 1 . 2]" 1
246 1 22 THR H 1 22 THR HB 3.300 . 3.500 3.438 2.389 3.519 0.019 18 0 "[ . 1 . 2]" 1
247 1 22 THR H 1 23 TRP H 2.700 . 3.100 2.717 2.575 2.811 . 0 0 "[ . 1 . 2]" 1
248 1 22 THR HA 1 22 THR HB 2.700 . 2.700 2.594 2.459 2.662 . 0 0 "[ . 1 . 2]" 1
249 1 22 THR HA 1 22 THR MG 2.700 . 4.200 2.239 2.013 3.189 . 0 0 "[ . 1 . 2]" 1
250 1 22 THR HA 1 23 TRP H 5.000 . 5.200 3.538 3.507 3.563 . 0 0 "[ . 1 . 2]" 1
251 1 22 THR HA 1 23 TRP HA 5.000 . 5.000 4.654 4.613 4.708 . 0 0 "[ . 1 . 2]" 1
252 1 22 THR HA 1 24 VAL H 5.000 . 5.200 4.098 3.865 4.286 . 0 0 "[ . 1 . 2]" 1
253 1 22 THR HB 1 23 TRP H 5.000 . 5.200 3.530 3.377 3.829 . 0 0 "[ . 1 . 2]" 1
254 1 22 THR HB 1 23 TRP HD1 5.000 . 7.000 3.316 2.500 4.781 . 0 0 "[ . 1 . 2]" 1
255 1 22 THR HB 1 24 VAL H 5.000 . 5.200 5.255 5.201 5.329 0.129 16 0 "[ . 1 . 2]" 1
256 1 23 TRP H 1 23 TRP HA 2.700 . 2.900 2.974 2.949 2.986 0.086 9 0 "[ . 1 . 2]" 1
257 1 23 TRP H 1 23 TRP QB 2.700 . 3.900 2.192 2.018 2.525 . 0 0 "[ . 1 . 2]" 1
258 1 23 TRP H 1 23 TRP HD1 3.300 . 5.500 3.467 2.811 3.992 . 0 0 "[ . 1 . 2]" 1
259 1 23 TRP H 1 23 TRP HE1 5.000 . 7.200 5.605 4.779 6.388 . 0 0 "[ . 1 . 2]" 1
260 1 23 TRP H 1 24 VAL H 2.700 . 3.100 2.358 2.155 2.514 . 0 0 "[ . 1 . 2]" 1
261 1 23 TRP H 1 24 VAL MG2 3.300 . 5.000 3.184 2.969 3.461 . 0 0 "[ . 1 . 2]" 1
262 1 23 TRP H 1 44 LYS H 5.000 . 5.400 5.359 5.209 5.478 0.078 8 0 "[ . 1 . 2]" 1
263 1 23 TRP HA 1 23 TRP HD1 3.300 . 5.300 2.182 1.933 2.352 . 0 0 "[ . 1 . 2]" 1
264 1 23 TRP HA 1 23 TRP HE3 5.000 . 7.000 5.003 4.758 5.269 . 0 0 "[ . 1 . 2]" 1
265 1 23 TRP HA 1 24 VAL H 5.000 . 5.200 3.322 3.212 3.438 . 0 0 "[ . 1 . 2]" 1
266 1 23 TRP HA 1 43 THR HA 5.000 . 5.000 4.871 4.784 5.006 0.006 1 0 "[ . 1 . 2]" 1
267 1 23 TRP HA 1 43 THR MG 5.000 . 6.500 4.812 4.272 5.300 . 0 0 "[ . 1 . 2]" 1
268 1 23 TRP HA 1 44 LYS H 3.300 . 3.500 3.096 2.964 3.330 . 0 0 "[ . 1 . 2]" 1
269 1 23 TRP HA 1 44 LYS HA 5.000 . 5.000 5.062 4.980 5.133 0.133 5 0 "[ . 1 . 2]" 1
270 1 23 TRP HA 1 44 LYS QB 5.000 . 6.000 2.390 2.187 2.750 . 0 0 "[ . 1 . 2]" 1
271 1 23 TRP HA 1 44 LYS QE 5.000 . 6.500 4.357 3.081 5.570 . 0 0 "[ . 1 . 2]" 1
272 1 23 TRP QB 1 43 THR HB 5.000 . 6.000 2.952 2.625 3.341 . 0 0 "[ . 1 . 2]" 1
273 1 23 TRP QB 1 43 THR MG 5.000 . 7.500 3.037 2.478 3.585 . 0 0 "[ . 1 . 2]" 1
274 1 23 TRP HD1 1 43 THR HB 5.000 . 7.000 5.854 5.371 6.308 . 0 0 "[ . 1 . 2]" 1
275 1 23 TRP HE3 1 43 THR HA 5.000 . 7.000 6.440 5.407 7.050 0.050 20 0 "[ . 1 . 2]" 1
276 1 23 TRP HE3 1 43 THR HB 5.000 . 7.000 4.510 3.328 5.631 . 0 0 "[ . 1 . 2]" 1
277 1 23 TRP HE3 1 43 THR MG 5.000 . 8.500 3.855 2.812 4.580 . 0 0 "[ . 1 . 2]" 1
278 1 23 TRP HE3 1 49 VAL MG2 5.000 . 8.500 6.540 5.549 7.066 . 0 0 "[ . 1 . 2]" 1
279 1 23 TRP HZ3 1 43 THR MG 5.000 . 8.500 5.490 3.899 6.391 . 0 0 "[ . 1 . 2]" 1
280 1 24 VAL H 1 24 VAL HA 2.700 . 2.900 2.953 2.935 2.979 0.079 18 0 "[ . 1 . 2]" 1
281 1 24 VAL H 1 24 VAL HB 2.700 . 2.900 2.443 2.329 2.540 . 0 0 "[ . 1 . 2]" 1
282 1 24 VAL H 1 25 ARG H 5.000 . 5.400 4.592 4.491 4.657 . 0 0 "[ . 1 . 2]" 1
283 1 24 VAL HA 1 24 VAL MG1 3.300 . 4.800 2.370 2.322 2.422 . 0 0 "[ . 1 . 2]" 1
284 1 24 VAL HA 1 24 VAL MG2 2.700 . 4.200 2.382 2.262 2.490 . 0 0 "[ . 1 . 2]" 1
285 1 24 VAL HA 1 25 ARG H 2.700 . 2.900 2.275 2.207 2.370 . 0 0 "[ . 1 . 2]" 1
286 1 24 VAL HA 1 25 ARG HA 5.000 . 5.000 4.487 4.471 4.523 . 0 0 "[ . 1 . 2]" 1
287 1 24 VAL HA 1 26 SER H 5.000 . 5.200 4.351 4.070 4.707 . 0 0 "[ . 1 . 2]" 1
288 1 24 VAL HA 1 43 THR H 5.000 . 5.200 4.705 4.662 4.753 . 0 0 "[ . 1 . 2]" 1
289 1 24 VAL HA 1 43 THR HA 2.700 . 2.700 1.910 1.864 1.999 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL HA 1 43 THR HB 5.000 . 5.000 3.835 3.596 4.066 . 0 0 "[ . 1 . 2]" 1
291 1 24 VAL HA 1 43 THR MG 3.300 . 4.800 2.766 2.323 3.255 . 0 0 "[ . 1 . 2]" 1
292 1 24 VAL HB 1 43 THR HA 5.000 . 5.000 4.894 4.850 4.959 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL MG1 1 24 VAL MG2 2.700 . 5.700 1.975 1.872 2.054 . 0 0 "[ . 1 . 2]" 1
294 1 24 VAL MG1 1 25 ARG H 3.300 . 5.000 2.312 1.907 2.709 . 0 0 "[ . 1 . 2]" 1
295 1 24 VAL MG1 1 26 SER H 2.700 . 4.400 3.151 2.813 3.539 . 0 0 "[ . 1 . 2]" 1
296 1 24 VAL MG1 1 41 PHE QB 5.000 . 7.500 3.182 2.867 3.844 . 0 0 "[ . 1 . 2]" 1
297 1 24 VAL MG1 1 41 PHE QD 3.300 . 6.800 4.179 3.998 4.458 . 0 0 "[ . 1 . 2]" 1
298 1 24 VAL MG1 1 41 PHE QE 5.000 . 8.500 5.496 5.148 5.823 . 0 0 "[ . 1 . 2]" 1
299 1 24 VAL MG1 1 42 THR H 5.000 . 6.700 4.183 3.653 4.358 . 0 0 "[ . 1 . 2]" 1
300 1 24 VAL MG1 1 42 THR HA 5.000 . 6.500 5.289 5.120 5.343 . 0 0 "[ . 1 . 2]" 1
301 1 24 VAL MG1 1 43 THR HA 5.000 . 6.500 3.560 3.426 3.639 . 0 0 "[ . 1 . 2]" 1
302 1 24 VAL MG2 1 41 PHE QB 5.000 . 7.500 4.183 3.898 4.602 . 0 0 "[ . 1 . 2]" 1
303 1 24 VAL MG2 1 41 PHE QD 5.000 . 8.500 5.518 5.234 5.855 . 0 0 "[ . 1 . 2]" 1
304 1 24 VAL MG2 1 43 THR HA 5.000 . 6.500 3.763 3.539 3.992 . 0 0 "[ . 1 . 2]" 1
305 1 24 VAL MG2 1 43 THR MG 3.300 . 6.300 3.127 2.751 3.656 . 0 0 "[ . 1 . 2]" 1
306 1 24 VAL MG2 1 61 TYR QD 3.300 . 6.800 4.062 3.773 4.383 . 0 0 "[ . 1 . 2]" 1
307 1 25 ARG H 1 25 ARG QB 2.700 . 3.900 2.414 2.242 2.794 . 0 0 "[ . 1 . 2]" 1
308 1 25 ARG H 1 26 SER H 2.700 . 3.100 2.247 1.955 2.595 . 0 0 "[ . 1 . 2]" 1
309 1 25 ARG H 1 42 THR H 5.000 . 5.400 4.360 3.871 4.640 . 0 0 "[ . 1 . 2]" 1
310 1 25 ARG H 1 42 THR O 2.300 . 2.300 1.806 1.686 1.990 0.014 1 0 "[ . 1 . 2]" 1
311 1 25 ARG H 1 43 THR H 5.000 . 5.400 4.337 4.000 4.567 . 0 0 "[ . 1 . 2]" 1
312 1 25 ARG H 1 43 THR HA 2.700 . 2.900 2.386 1.938 2.710 . 0 0 "[ . 1 . 2]" 1
313 1 25 ARG H 1 43 THR HB 5.000 . 5.200 4.864 4.408 5.134 . 0 0 "[ . 1 . 2]" 1
314 1 25 ARG H 1 43 THR HG1 5.000 . 6.700 3.905 3.512 4.210 . 0 0 "[ . 1 . 2]" 1
315 1 25 ARG H 1 44 LYS HA 5.000 . 5.200 4.809 4.245 5.218 0.018 19 0 "[ . 1 . 2]" 1
316 1 25 ARG HA 1 25 ARG QD 3.300 . 4.800 3.699 3.023 4.056 . 0 0 "[ . 1 . 2]" 1
317 1 25 ARG HA 1 26 SER H 5.000 . 5.200 3.595 3.561 3.620 . 0 0 "[ . 1 . 2]" 1
318 1 25 ARG HA 1 43 THR HA 5.000 . 5.000 4.811 4.571 5.014 0.014 18 0 "[ . 1 . 2]" 1
319 1 25 ARG HA 1 44 LYS HA 5.000 . 5.000 4.524 3.970 4.923 . 0 0 "[ . 1 . 2]" 1
320 1 25 ARG HA 1 44 LYS QE 3.300 . 4.800 3.392 2.336 3.910 . 0 0 "[ . 1 . 2]" 1
321 1 25 ARG HA 1 44 LYS QG 3.300 . 4.800 3.359 2.447 3.884 . 0 0 "[ . 1 . 2]" 1
322 1 25 ARG QB 1 26 SER H 2.700 . 3.900 2.363 2.010 3.563 . 0 0 "[ . 1 . 2]" 1
323 1 25 ARG QB 1 26 SER QB 5.000 . 7.000 3.743 3.467 4.014 . 0 0 "[ . 1 . 2]" 1
324 1 25 ARG QB 1 43 THR HA 5.000 . 6.000 3.276 3.037 3.798 . 0 0 "[ . 1 . 2]" 1
325 1 25 ARG QB 1 44 LYS HA 3.300 . 4.300 2.390 2.028 2.771 . 0 0 "[ . 1 . 2]" 1
326 1 25 ARG QB 1 44 LYS QG 5.000 . 7.500 2.543 2.087 3.115 . 0 0 "[ . 1 . 2]" 1
327 1 25 ARG QD 1 42 THR MG 5.000 . 8.000 3.675 2.581 5.196 . 0 0 "[ . 1 . 2]" 1
328 1 25 ARG QD 1 43 THR HA 5.000 . 6.500 5.301 4.875 5.700 . 0 0 "[ . 1 . 2]" 1
329 1 25 ARG QD 1 44 LYS HA 5.000 . 6.500 3.218 1.985 4.973 . 0 0 "[ . 1 . 2]" 1
330 1 25 ARG QG 1 26 SER H 5.000 . 6.700 3.591 1.901 4.291 . 0 0 "[ . 1 . 2]" 1
331 1 25 ARG QG 1 26 SER QB 5.000 . 7.000 3.232 2.801 4.204 . 0 0 "[ . 1 . 2]" 1
332 1 26 SER H 1 26 SER HB3 3.300 . 3.500 3.341 3.207 3.522 0.022 5 0 "[ . 1 . 2]" 1
333 1 26 SER H 1 27 TYR H 5.000 . 5.400 4.307 4.257 4.366 . 0 0 "[ . 1 . 2]" 1
334 1 26 SER H 1 41 PHE QD 5.000 . 7.200 5.544 5.331 5.827 . 0 0 "[ . 1 . 2]" 1
335 1 26 SER H 1 42 THR H 2.700 . 3.100 3.121 2.925 3.187 0.087 7 0 "[ . 1 . 2]" 1
336 1 26 SER H 1 42 THR MG 5.000 . 6.700 3.259 1.838 4.595 . 0 0 "[ . 1 . 2]" 1
337 1 26 SER H 1 42 THR O 2.300 . 2.300 2.335 2.313 2.374 0.074 7 0 "[ . 1 . 2]" 1
338 1 26 SER H 1 43 THR H 5.000 . 5.400 4.925 4.698 5.121 . 0 0 "[ . 1 . 2]" 1
339 1 26 SER H 1 43 THR HA 5.000 . 5.200 4.215 3.880 4.512 . 0 0 "[ . 1 . 2]" 1
340 1 26 SER HA 1 27 TYR H 2.700 . 2.900 2.855 2.769 2.928 0.028 9 0 "[ . 1 . 2]" 1
341 1 26 SER HA 1 27 TYR HA 5.000 . 5.000 4.652 4.587 4.699 . 0 0 "[ . 1 . 2]" 1
342 1 26 SER HA 1 65 LEU QB 5.000 . 6.000 2.315 1.910 2.901 . 0 0 "[ . 1 . 2]" 1
343 1 26 SER HA 1 65 LEU MD1 3.300 . 4.800 2.634 1.872 3.088 . 0 0 "[ . 1 . 2]" 1
344 1 26 SER HA 1 65 LEU MD2 5.000 . 6.500 2.402 1.934 4.469 . 0 0 "[ . 1 . 2]" 1
345 1 26 SER QB 1 27 TYR HA 5.000 . 6.000 4.423 4.269 4.604 . 0 0 "[ . 1 . 2]" 1
346 1 26 SER QB 1 65 LEU MD2 5.000 . 7.500 3.872 3.359 5.653 . 0 0 "[ . 1 . 2]" 1
347 1 26 SER HB2 1 27 TYR H 5.000 . 5.200 1.986 1.927 2.188 . 0 0 "[ . 1 . 2]" 1
348 1 26 SER HB3 1 27 TYR H 3.300 . 3.500 3.510 3.458 3.559 0.059 11 0 "[ . 1 . 2]" 1
349 1 26 SER O 1 42 THR H 2.300 . 2.300 1.737 1.631 1.908 0.069 3 0 "[ . 1 . 2]" 1
350 1 27 TYR H 1 27 TYR QD 2.700 . 4.900 2.506 2.072 2.948 . 0 0 "[ . 1 . 2]" 1
351 1 27 TYR H 1 28 GLU H 5.000 . 5.400 4.384 4.329 4.410 . 0 0 "[ . 1 . 2]" 1
352 1 27 TYR H 1 28 GLU QG 5.000 . 6.700 4.949 4.329 5.226 . 0 0 "[ . 1 . 2]" 1
353 1 27 TYR H 1 41 PHE QD 5.000 . 7.200 4.868 4.662 5.049 . 0 0 "[ . 1 . 2]" 1
354 1 27 TYR HA 1 28 GLU H 2.700 . 2.900 2.692 2.630 2.789 . 0 0 "[ . 1 . 2]" 1
355 1 27 TYR HA 1 28 GLU HA 5.000 . 5.000 4.753 4.727 4.793 . 0 0 "[ . 1 . 2]" 1
356 1 27 TYR HA 1 39 VAL MG1 5.000 . 6.500 4.704 4.458 4.960 . 0 0 "[ . 1 . 2]" 1
357 1 27 TYR HA 1 40 ILE H 5.000 . 5.200 4.709 4.531 4.974 . 0 0 "[ . 1 . 2]" 1
358 1 27 TYR HA 1 40 ILE MG 5.000 . 6.500 3.763 3.327 4.098 . 0 0 "[ . 1 . 2]" 1
359 1 27 TYR HA 1 41 PHE HA 2.700 . 2.700 2.124 1.916 2.489 . 0 0 "[ . 1 . 2]" 1
360 1 27 TYR HA 1 41 PHE QB 5.000 . 6.000 4.243 4.025 4.572 . 0 0 "[ . 1 . 2]" 1
361 1 27 TYR HA 1 41 PHE QD 3.300 . 5.300 3.335 3.073 3.577 . 0 0 "[ . 1 . 2]" 1
362 1 27 TYR HA 1 41 PHE QE 5.000 . 7.000 5.071 4.784 5.346 . 0 0 "[ . 1 . 2]" 1
363 1 27 TYR HA 1 42 THR H 3.300 . 3.500 2.359 2.192 2.899 . 0 0 "[ . 1 . 2]" 1
364 1 27 TYR HA 1 65 LEU MD1 5.000 . 6.500 3.497 3.171 4.266 . 0 0 "[ . 1 . 2]" 1
365 1 27 TYR HA 1 65 LEU MD2 5.000 . 6.500 5.347 5.286 5.411 . 0 0 "[ . 1 . 2]" 1
366 1 27 TYR QB 1 28 GLU H 3.300 . 4.500 2.391 2.123 2.796 . 0 0 "[ . 1 . 2]" 1
367 1 27 TYR QB 1 28 GLU HA 5.000 . 6.000 4.522 4.403 4.750 . 0 0 "[ . 1 . 2]" 1
368 1 27 TYR QB 1 39 VAL MG1 5.000 . 7.500 3.073 2.743 3.453 . 0 0 "[ . 1 . 2]" 1
369 1 27 TYR QB 1 41 PHE HA 3.300 . 4.300 2.419 2.351 2.554 . 0 0 "[ . 1 . 2]" 1
370 1 27 TYR QB 1 41 PHE QD 5.000 . 8.000 1.850 1.776 1.937 0.024 18 0 "[ . 1 . 2]" 1
371 1 27 TYR QB 1 41 PHE QE 5.000 . 8.000 2.751 2.525 2.947 . 0 0 "[ . 1 . 2]" 1
372 1 27 TYR QB 1 62 ILE MG 5.000 . 7.500 4.009 3.774 4.184 . 0 0 "[ . 1 . 2]" 1
373 1 27 TYR QB 1 65 LEU MD1 5.000 . 7.500 2.013 1.846 3.271 . 0 0 "[ . 1 . 2]" 1
374 1 27 TYR QD 1 39 VAL HA 5.000 . 7.000 4.508 3.902 4.948 . 0 0 "[ . 1 . 2]" 1
375 1 27 TYR QD 1 39 VAL MG1 5.000 . 8.500 2.304 1.817 2.888 . 0 0 "[ . 1 . 2]" 1
376 1 27 TYR QD 1 40 ILE H 5.000 . 7.200 3.342 2.594 3.669 . 0 0 "[ . 1 . 2]" 1
377 1 27 TYR QD 1 62 ILE HB 5.000 . 7.000 5.205 5.006 5.436 . 0 0 "[ . 1 . 2]" 1
378 1 27 TYR QD 1 62 ILE MG 5.000 . 8.500 3.030 2.757 3.316 . 0 0 "[ . 1 . 2]" 1
379 1 27 TYR QD 1 65 LEU H 5.000 . 7.200 4.702 4.010 5.553 . 0 0 "[ . 1 . 2]" 1
380 1 27 TYR QD 1 65 LEU QB 3.300 . 6.300 2.203 1.858 3.128 . 0 0 "[ . 1 . 2]" 1
381 1 27 TYR QD 1 65 LEU MD1 3.300 . 6.800 3.237 2.279 3.865 . 0 0 "[ . 1 . 2]" 1
382 1 27 TYR QE 1 28 GLU HA 3.300 . 5.300 3.832 3.363 4.051 . 0 0 "[ . 1 . 2]" 1
383 1 27 TYR QE 1 29 PHE HA 5.000 . 7.000 4.865 3.957 5.271 . 0 0 "[ . 1 . 2]" 1
384 1 27 TYR QE 1 29 PHE QD 5.000 . 9.000 3.031 2.359 3.718 . 0 0 "[ . 1 . 2]" 1
385 1 27 TYR QE 1 39 VAL MG1 3.300 . 6.800 3.272 1.916 3.976 . 0 0 "[ . 1 . 2]" 1
386 1 27 TYR QE 1 39 VAL MG2 5.000 . 8.500 4.254 2.798 5.006 . 0 0 "[ . 1 . 2]" 1
387 1 27 TYR QE 1 41 PHE HA 5.000 . 7.000 6.532 6.401 6.611 . 0 0 "[ . 1 . 2]" 1
388 1 27 TYR QE 1 62 ILE HA 3.300 . 5.300 3.796 3.505 4.153 . 0 0 "[ . 1 . 2]" 1
389 1 27 TYR QE 1 62 ILE HB 5.000 . 7.000 4.801 4.606 4.975 . 0 0 "[ . 1 . 2]" 1
390 1 27 TYR QE 1 62 ILE MD 5.000 . 8.500 3.668 2.641 4.467 . 0 0 "[ . 1 . 2]" 1
391 1 27 TYR QE 1 62 ILE MG 3.300 . 6.800 2.172 1.903 2.422 . 0 0 "[ . 1 . 2]" 1
392 1 27 TYR QE 1 65 LEU QB 3.300 . 6.300 3.732 3.182 4.736 . 0 0 "[ . 1 . 2]" 1
393 1 27 TYR QE 1 65 LEU MD1 5.000 . 8.500 5.069 4.314 5.600 . 0 0 "[ . 1 . 2]" 1
394 1 27 TYR QE 1 66 LYS H 5.000 . 7.200 4.060 2.751 5.076 . 0 0 "[ . 1 . 2]" 1
395 1 27 TYR QE 1 66 LYS HA 5.000 . 7.000 3.722 1.940 5.025 . 0 0 "[ . 1 . 2]" 1
396 1 27 TYR QE 1 67 THR H 5.000 . 7.200 3.797 1.956 5.099 . 0 0 "[ . 1 . 2]" 1
397 1 27 TYR QE 1 68 PRO HA 5.000 . 7.000 5.279 4.058 6.138 . 0 0 "[ . 1 . 2]" 1
398 1 28 GLU H 1 28 GLU HA 2.700 . 2.900 2.869 2.853 2.885 . 0 0 "[ . 1 . 2]" 1
399 1 28 GLU H 1 28 GLU QB 2.700 . 3.900 3.322 3.267 3.410 . 0 0 "[ . 1 . 2]" 1
400 1 28 GLU H 1 29 PHE H 5.000 . 5.400 4.168 3.989 4.323 . 0 0 "[ . 1 . 2]" 1
401 1 28 GLU H 1 39 VAL MG1 3.300 . 5.000 3.122 2.791 3.452 . 0 0 "[ . 1 . 2]" 1
402 1 28 GLU H 1 39 VAL MG2 5.000 . 6.700 5.334 5.064 5.529 . 0 0 "[ . 1 . 2]" 1
403 1 28 GLU H 1 40 ILE H 3.300 . 3.700 2.632 2.439 2.895 . 0 0 "[ . 1 . 2]" 1
404 1 28 GLU H 1 40 ILE HB 3.300 . 3.500 3.143 2.952 3.386 . 0 0 "[ . 1 . 2]" 1
405 1 28 GLU H 1 40 ILE MD 5.000 . 6.700 4.509 4.293 4.722 . 0 0 "[ . 1 . 2]" 1
406 1 28 GLU H 1 40 ILE O 2.300 . 2.300 2.036 1.821 2.299 . 0 0 "[ . 1 . 2]" 1
407 1 28 GLU H 1 41 PHE HA 5.000 . 5.200 3.857 3.623 4.112 . 0 0 "[ . 1 . 2]" 1
408 1 28 GLU H 1 41 PHE QD 5.000 . 7.200 4.440 4.063 4.649 . 0 0 "[ . 1 . 2]" 1
409 1 28 GLU H 1 42 THR H 5.000 . 5.400 4.910 4.756 5.428 0.028 1 0 "[ . 1 . 2]" 1
410 1 28 GLU HA 1 29 PHE H 2.700 . 2.900 2.264 2.193 2.381 . 0 0 "[ . 1 . 2]" 1
411 1 28 GLU HA 1 29 PHE HA 5.000 . 5.000 4.454 4.441 4.472 . 0 0 "[ . 1 . 2]" 1
412 1 28 GLU HA 1 29 PHE QB 5.000 . 6.000 3.967 3.897 4.084 . 0 0 "[ . 1 . 2]" 1
413 1 28 GLU HA 1 29 PHE QD 5.000 . 7.000 4.908 3.609 5.521 . 0 0 "[ . 1 . 2]" 1
414 1 28 GLU HA 1 39 VAL MG1 5.000 . 6.500 4.606 4.163 5.035 . 0 0 "[ . 1 . 2]" 1
415 1 28 GLU HA 1 40 ILE MD 5.000 . 6.500 5.195 4.970 5.298 . 0 0 "[ . 1 . 2]" 1
416 1 28 GLU HA 1 62 ILE MG 5.000 . 6.500 5.318 5.277 5.349 . 0 0 "[ . 1 . 2]" 1
417 1 28 GLU QB 1 29 PHE H 5.000 . 6.200 3.080 2.762 3.320 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLU QG 1 29 PHE H 5.000 . 6.700 4.049 3.696 4.330 . 0 0 "[ . 1 . 2]" 1
419 1 28 GLU QG 1 40 ILE H 5.000 . 6.700 3.383 3.108 3.658 . 0 0 "[ . 1 . 2]" 1
420 1 28 GLU QG 1 40 ILE HB 5.000 . 6.500 1.864 1.773 1.983 0.027 4 0 "[ . 1 . 2]" 1
421 1 28 GLU QG 1 40 ILE MD 3.300 . 6.300 2.283 1.998 3.167 . 0 0 "[ . 1 . 2]" 1
422 1 28 GLU QG 1 40 ILE MG 5.000 . 8.000 2.401 1.999 2.887 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLU O 1 40 ILE H 2.300 . 2.300 2.054 1.770 2.306 0.006 4 0 "[ . 1 . 2]" 1
424 1 29 PHE H 1 29 PHE QB 2.700 . 3.900 2.046 1.953 2.191 . 0 0 "[ . 1 . 2]" 1
425 1 29 PHE H 1 30 THR H 5.000 . 5.400 4.634 4.589 4.662 . 0 0 "[ . 1 . 2]" 1
426 1 29 PHE HA 1 29 PHE QD 3.300 . 5.300 2.825 2.536 2.960 . 0 0 "[ . 1 . 2]" 1
427 1 29 PHE HA 1 30 THR H 2.700 . 2.900 2.324 2.267 2.507 . 0 0 "[ . 1 . 2]" 1
428 1 29 PHE HA 1 30 THR HA 5.000 . 5.000 4.428 4.410 4.442 . 0 0 "[ . 1 . 2]" 1
429 1 29 PHE HA 1 30 THR MG 5.000 . 6.500 4.045 3.663 4.330 . 0 0 "[ . 1 . 2]" 1
430 1 29 PHE HA 1 38 ALA H 5.000 . 5.200 4.953 4.593 5.227 0.027 4 0 "[ . 1 . 2]" 1
431 1 29 PHE HA 1 39 VAL HA 2.700 . 2.700 2.192 2.033 2.533 . 0 0 "[ . 1 . 2]" 1
432 1 29 PHE HA 1 39 VAL MG1 5.000 . 6.500 3.287 2.928 3.877 . 0 0 "[ . 1 . 2]" 1
433 1 29 PHE HA 1 39 VAL MG2 5.000 . 6.500 3.366 2.956 3.833 . 0 0 "[ . 1 . 2]" 1
434 1 29 PHE HA 1 40 ILE H 5.000 . 5.200 3.292 3.147 3.548 . 0 0 "[ . 1 . 2]" 1
435 1 29 PHE HA 1 40 ILE MD 5.000 . 6.500 3.772 3.237 4.187 . 0 0 "[ . 1 . 2]" 1
436 1 29 PHE QB 1 30 THR H 2.700 . 3.900 3.213 2.753 3.444 . 0 0 "[ . 1 . 2]" 1
437 1 29 PHE QB 1 30 THR MG 5.000 . 7.500 4.977 4.645 5.176 . 0 0 "[ . 1 . 2]" 1
438 1 29 PHE QB 1 39 VAL HA 5.000 . 6.000 4.244 3.970 4.508 . 0 0 "[ . 1 . 2]" 1
439 1 29 PHE QD 1 30 THR H 5.000 . 7.200 2.449 1.923 3.966 . 0 0 "[ . 1 . 2]" 1
440 1 29 PHE QD 1 39 VAL HA 3.300 . 5.300 3.686 3.331 3.977 . 0 0 "[ . 1 . 2]" 1
441 1 29 PHE QD 1 39 VAL MG2 3.300 . 6.800 2.964 2.456 3.494 . 0 0 "[ . 1 . 2]" 1
442 1 29 PHE QD 1 53 PRO HA 5.000 . 7.000 6.386 5.980 6.530 . 0 0 "[ . 1 . 2]" 1
443 1 29 PHE QD 1 53 PRO QB 5.000 . 8.000 4.714 4.409 5.208 . 0 0 "[ . 1 . 2]" 1
444 1 29 PHE QD 1 62 ILE MD 3.300 . 6.800 3.916 2.998 4.579 . 0 0 "[ . 1 . 2]" 1
445 1 30 THR H 1 30 THR HA 2.700 . 2.900 2.856 2.804 2.959 0.059 15 0 "[ . 1 . 2]" 1
446 1 30 THR H 1 30 THR MG 2.700 . 4.400 2.538 2.255 2.811 . 0 0 "[ . 1 . 2]" 1
447 1 30 THR H 1 31 SER H 5.000 . 5.400 4.670 4.595 4.710 . 0 0 "[ . 1 . 2]" 1
448 1 30 THR H 1 38 ALA H 3.300 . 3.700 3.117 2.759 3.351 . 0 0 "[ . 1 . 2]" 1
449 1 30 THR H 1 38 ALA MB 5.000 . 6.200 4.349 3.982 4.741 . 0 0 "[ . 1 . 2]" 1
450 1 30 THR H 1 38 ALA O 2.300 . 2.300 2.112 1.777 2.316 0.016 20 0 "[ . 1 . 2]" 1
451 1 30 THR H 1 39 VAL HA 3.300 . 3.500 3.262 2.945 3.508 0.008 14 0 "[ . 1 . 2]" 1
452 1 30 THR H 1 39 VAL MG1 5.000 . 6.700 4.945 4.583 5.285 . 0 0 "[ . 1 . 2]" 1
453 1 30 THR H 1 39 VAL MG2 5.000 . 6.700 4.227 3.898 4.710 . 0 0 "[ . 1 . 2]" 1
454 1 30 THR H 1 40 ILE H 5.000 . 5.400 4.789 4.422 5.206 . 0 0 "[ . 1 . 2]" 1
455 1 30 THR H 1 40 ILE MD 5.000 . 6.700 3.394 2.791 4.022 . 0 0 "[ . 1 . 2]" 1
456 1 30 THR HA 1 30 THR HB 2.700 . 2.700 2.638 2.565 2.697 . 0 0 "[ . 1 . 2]" 1
457 1 30 THR HA 1 30 THR MG 2.700 . 4.200 2.165 1.991 2.298 . 0 0 "[ . 1 . 2]" 1
458 1 30 THR HA 1 31 SER H 2.700 . 2.900 2.453 2.331 2.637 . 0 0 "[ . 1 . 2]" 1
459 1 30 THR HA 1 40 ILE MD 3.300 . 4.800 2.849 2.343 3.340 . 0 0 "[ . 1 . 2]" 1
460 1 30 THR HB 1 31 SER H 2.700 . 2.900 2.616 2.204 2.904 0.004 9 0 "[ . 1 . 2]" 1
461 1 30 THR HB 1 34 CYS QB 5.000 . 6.000 3.087 2.650 4.121 . 0 0 "[ . 1 . 2]" 1
462 1 30 THR MG 1 31 SER H 3.300 . 5.000 3.467 3.248 3.756 . 0 0 "[ . 1 . 2]" 1
463 1 30 THR MG 1 34 CYS QB 5.000 . 7.500 3.763 3.377 4.771 . 0 0 "[ . 1 . 2]" 1
464 1 30 THR MG 1 38 ALA H 3.300 . 5.000 2.543 2.055 3.174 . 0 0 "[ . 1 . 2]" 1
465 1 30 THR MG 1 38 ALA HA 5.000 . 6.500 4.184 3.767 4.779 . 0 0 "[ . 1 . 2]" 1
466 1 30 THR MG 1 40 ILE MD 3.300 . 6.300 1.994 1.777 2.602 0.023 9 0 "[ . 1 . 2]" 1
467 1 30 THR MG 1 40 ILE QG 3.300 . 6.300 3.010 2.744 3.434 . 0 0 "[ . 1 . 2]" 1
468 1 31 SER H 1 31 SER HA 2.700 . 2.900 2.906 2.820 2.947 0.047 18 0 "[ . 1 . 2]" 1
469 1 31 SER H 1 31 SER QB 2.700 . 3.900 2.296 1.998 2.747 . 0 0 "[ . 1 . 2]" 1
470 1 31 SER HA 1 32 ASN H 3.300 . 3.500 2.527 2.308 2.667 . 0 0 "[ . 1 . 2]" 1
471 1 31 SER QB 1 32 ASN H 5.000 . 6.200 2.639 2.168 3.533 . 0 0 "[ . 1 . 2]" 1
472 1 32 ASN H 1 33 SER H 5.000 . 5.400 2.701 2.304 3.828 . 0 0 "[ . 1 . 2]" 1
473 1 32 ASN QB 1 33 SER H 5.000 . 6.200 3.413 2.395 4.069 . 0 0 "[ . 1 . 2]" 1
474 1 32 ASN QB 1 33 SER HA 5.000 . 6.000 4.331 3.911 4.780 . 0 0 "[ . 1 . 2]" 1
475 1 33 SER H 1 33 SER HA 2.700 . 2.900 2.924 2.845 2.989 0.089 10 0 "[ . 1 . 2]" 1
476 1 33 SER H 1 33 SER QB 2.700 . 3.900 2.442 1.935 3.277 . 0 0 "[ . 1 . 2]" 1
477 1 33 SER H 1 34 CYS H 2.700 . 3.100 2.682 2.036 3.131 0.031 1 0 "[ . 1 . 2]" 1
478 1 33 SER HA 1 34 CYS H 3.300 . 3.500 3.079 2.764 3.510 0.010 6 0 "[ . 1 . 2]" 1
479 1 33 SER QB 1 34 CYS H 5.000 . 6.200 3.608 2.807 4.083 . 0 0 "[ . 1 . 2]" 1
480 1 34 CYS H 1 34 CYS QB 2.700 . 3.900 2.274 2.055 2.624 . 0 0 "[ . 1 . 2]" 1
481 1 34 CYS H 1 35 SER H 5.000 . 5.400 4.543 4.340 4.695 . 0 0 "[ . 1 . 2]" 1
482 1 34 CYS HA 1 35 SER H 2.700 . 2.900 2.385 2.214 2.779 . 0 0 "[ . 1 . 2]" 1
483 1 34 CYS QB 1 35 SER H 5.000 . 6.200 2.857 1.943 3.527 . 0 0 "[ . 1 . 2]" 1
484 1 34 CYS QB 1 36 GLN H 2.700 . 3.900 2.706 2.334 3.195 . 0 0 "[ . 1 . 2]" 1
485 1 35 SER H 1 35 SER QB 3.300 . 4.500 2.171 1.929 2.609 . 0 0 "[ . 1 . 2]" 1
486 1 35 SER H 1 36 GLN H 3.300 . 3.700 2.557 2.356 2.840 . 0 0 "[ . 1 . 2]" 1
487 1 35 SER HA 1 36 GLN H 5.000 . 5.200 3.492 3.171 3.592 . 0 0 "[ . 1 . 2]" 1
488 1 35 SER QB 1 36 GLN H 3.300 . 4.500 2.970 2.469 3.580 . 0 0 "[ . 1 . 2]" 1
489 1 36 GLN H 1 36 GLN QB 3.300 . 4.500 2.471 2.173 2.856 . 0 0 "[ . 1 . 2]" 1
490 1 36 GLN H 1 36 GLN QG 3.300 . 5.000 3.780 1.913 4.284 . 0 0 "[ . 1 . 2]" 1
491 1 36 GLN H 1 37 ARG H 5.000 . 5.400 4.054 3.414 4.468 . 0 0 "[ . 1 . 2]" 1
492 1 36 GLN HA 1 37 ARG H 2.700 . 2.900 2.330 2.208 2.702 . 0 0 "[ . 1 . 2]" 1
493 1 36 GLN QB 1 37 ARG H 3.300 . 4.500 3.636 2.186 4.052 . 0 0 "[ . 1 . 2]" 1
494 1 36 GLN QG 1 37 ARG H 5.000 . 6.700 3.663 2.192 4.494 . 0 0 "[ . 1 . 2]" 1
495 1 37 ARG H 1 37 ARG HA 2.700 . 2.900 2.876 2.809 2.986 0.086 3 0 "[ . 1 . 2]" 1
496 1 37 ARG H 1 37 ARG QD 5.000 . 6.700 3.726 2.138 4.735 . 0 0 "[ . 1 . 2]" 1
497 1 37 ARG HA 1 38 ALA H 2.700 . 2.900 2.268 2.219 2.401 . 0 0 "[ . 1 . 2]" 1
498 1 38 ALA H 1 38 ALA HA 2.700 . 2.900 2.928 2.905 2.969 0.069 2 0 "[ . 1 . 2]" 1
499 1 38 ALA H 1 38 ALA MB 2.700 . 3.900 2.668 2.503 2.778 . 0 0 "[ . 1 . 2]" 1
500 1 38 ALA HA 1 39 VAL H 2.700 . 2.900 2.388 2.204 2.623 . 0 0 "[ . 1 . 2]" 1
501 1 38 ALA HA 1 39 VAL HB 5.000 . 6.000 4.644 4.549 4.807 . 0 0 "[ . 1 . 2]" 1
502 1 38 ALA HA 1 39 VAL MG2 5.000 . 6.500 3.419 3.221 3.576 . 0 0 "[ . 1 . 2]" 1
503 1 38 ALA HA 1 52 HIS HA 3.300 . 3.300 3.179 2.787 3.342 0.042 10 0 "[ . 1 . 2]" 1
504 1 38 ALA HA 1 53 PRO QB 5.000 . 6.000 4.177 3.482 4.719 . 0 0 "[ . 1 . 2]" 1
505 1 38 ALA HA 1 53 PRO QD 5.000 . 6.500 1.965 1.894 2.193 . 0 0 "[ . 1 . 2]" 1
506 1 38 ALA HA 1 53 PRO QG 5.000 . 6.500 3.098 2.569 3.426 . 0 0 "[ . 1 . 2]" 1
507 1 38 ALA MB 1 39 VAL H 2.700 . 3.900 2.734 2.156 3.219 . 0 0 "[ . 1 . 2]" 1
508 1 38 ALA MB 1 50 CYS QB 3.300 . 5.300 3.366 2.759 3.577 . 0 0 "[ . 1 . 2]" 1
509 1 38 ALA MB 1 52 HIS HA 5.000 . 6.000 3.100 2.757 3.831 . 0 0 "[ . 1 . 2]" 1
510 1 38 ALA MB 1 53 PRO QD 3.300 . 5.800 3.136 2.712 3.471 . 0 0 "[ . 1 . 2]" 1
511 1 39 VAL H 1 39 VAL HB 2.700 . 3.900 2.394 2.268 2.449 . 0 0 "[ . 1 . 2]" 1
512 1 39 VAL H 1 39 VAL MG2 3.300 . 5.000 2.415 2.111 2.802 . 0 0 "[ . 1 . 2]" 1
513 1 39 VAL H 1 40 ILE MD 5.000 . 6.700 5.312 4.463 5.524 . 0 0 "[ . 1 . 2]" 1
514 1 39 VAL H 1 51 THR H 3.300 . 3.700 3.450 3.066 3.720 0.020 16 0 "[ . 1 . 2]" 1
515 1 39 VAL H 1 51 THR O 2.300 . 2.300 2.155 1.730 2.325 0.025 2 0 "[ . 1 . 2]" 1
516 1 39 VAL H 1 52 HIS HA 5.000 . 5.200 3.204 2.735 3.720 . 0 0 "[ . 1 . 2]" 1
517 1 39 VAL H 1 53 PRO QD 3.300 . 5.000 2.652 2.221 3.088 . 0 0 "[ . 1 . 2]" 1
518 1 39 VAL HA 1 39 VAL MG1 3.300 . 4.800 2.343 2.219 2.464 . 0 0 "[ . 1 . 2]" 1
519 1 39 VAL HA 1 39 VAL MG2 2.700 . 4.200 2.344 2.236 2.423 . 0 0 "[ . 1 . 2]" 1
520 1 39 VAL HA 1 40 ILE H 2.700 . 2.900 2.399 2.327 2.515 . 0 0 "[ . 1 . 2]" 1
521 1 39 VAL HB 1 41 PHE QD 3.300 . 6.300 5.283 5.059 5.484 . 0 0 "[ . 1 . 2]" 1
522 1 39 VAL HB 1 41 PHE QE 5.000 . 8.000 4.153 3.713 4.613 . 0 0 "[ . 1 . 2]" 1
523 1 39 VAL HB 1 58 VAL MG1 2.700 . 5.200 2.354 1.800 2.640 0.000 18 0 "[ . 1 . 2]" 1
524 1 39 VAL MG1 1 39 VAL MG2 2.700 . 5.700 1.981 1.843 2.074 . 0 0 "[ . 1 . 2]" 1
525 1 39 VAL MG1 1 40 ILE H 2.700 . 4.400 1.997 1.867 2.340 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL MG1 1 40 ILE HA 5.000 . 6.500 3.712 3.448 3.950 . 0 0 "[ . 1 . 2]" 1
527 1 39 VAL MG1 1 40 ILE QG 5.000 . 8.000 4.201 4.115 4.398 . 0 0 "[ . 1 . 2]" 1
528 1 39 VAL MG1 1 41 PHE H 5.000 . 6.700 4.526 3.913 4.959 . 0 0 "[ . 1 . 2]" 1
529 1 39 VAL MG1 1 41 PHE HA 5.000 . 6.500 4.468 4.145 4.712 . 0 0 "[ . 1 . 2]" 1
530 1 39 VAL MG1 1 41 PHE QD 5.000 . 8.500 3.774 3.541 3.958 . 0 0 "[ . 1 . 2]" 1
531 1 39 VAL MG1 1 41 PHE QE 3.300 . 6.800 3.005 2.675 3.444 . 0 0 "[ . 1 . 2]" 1
532 1 39 VAL MG1 1 51 THR H 5.000 . 6.700 4.608 4.348 4.906 . 0 0 "[ . 1 . 2]" 1
533 1 39 VAL MG1 1 53 PRO HA 5.000 . 6.500 4.373 3.885 4.808 . 0 0 "[ . 1 . 2]" 1
534 1 39 VAL MG1 1 58 VAL HA 5.000 . 6.500 4.779 4.207 5.286 . 0 0 "[ . 1 . 2]" 1
535 1 39 VAL MG1 1 58 VAL MG1 3.300 . 6.300 2.558 1.986 3.084 . 0 0 "[ . 1 . 2]" 1
536 1 39 VAL MG1 1 62 ILE MD 3.300 . 6.300 1.908 1.751 2.129 0.049 15 0 "[ . 1 . 2]" 1
537 1 39 VAL MG2 1 40 ILE H 5.000 . 6.700 3.921 3.720 4.034 . 0 0 "[ . 1 . 2]" 1
538 1 39 VAL MG2 1 53 PRO HA 3.300 . 4.800 2.423 1.950 2.789 . 0 0 "[ . 1 . 2]" 1
539 1 39 VAL MG2 1 53 PRO QB 3.300 . 5.800 2.056 1.814 2.615 . 0 0 "[ . 1 . 2]" 1
540 1 39 VAL MG2 1 53 PRO QD 5.000 . 8.000 2.970 2.234 3.955 . 0 0 "[ . 1 . 2]" 1
541 1 39 VAL MG2 1 53 PRO QG 3.300 . 6.300 3.153 2.537 4.013 . 0 0 "[ . 1 . 2]" 1
542 1 39 VAL MG2 1 58 VAL MG1 3.300 . 6.300 2.572 1.925 2.922 . 0 0 "[ . 1 . 2]" 1
543 1 39 VAL MG2 1 58 VAL MG2 5.000 . 8.000 4.515 3.719 4.954 . 0 0 "[ . 1 . 2]" 1
544 1 40 ILE H 1 40 ILE HB 2.700 . 2.900 2.516 2.434 2.563 . 0 0 "[ . 1 . 2]" 1
545 1 40 ILE H 1 40 ILE MD 3.300 . 5.000 3.522 2.919 3.953 . 0 0 "[ . 1 . 2]" 1
546 1 40 ILE H 1 40 ILE MG 2.700 . 4.400 3.779 3.753 3.800 . 0 0 "[ . 1 . 2]" 1
547 1 40 ILE H 1 41 PHE H 5.000 . 5.400 4.399 4.141 4.487 . 0 0 "[ . 1 . 2]" 1
548 1 40 ILE HA 1 40 ILE QG 3.300 . 4.800 2.344 2.210 2.416 . 0 0 "[ . 1 . 2]" 1
549 1 40 ILE HA 1 40 ILE MG 3.300 . 4.800 2.456 2.372 2.548 . 0 0 "[ . 1 . 2]" 1
550 1 40 ILE HA 1 41 PHE QB 5.000 . 6.000 4.264 4.111 4.398 . 0 0 "[ . 1 . 2]" 1
551 1 40 ILE HA 1 50 CYS QB 5.000 . 6.000 4.332 4.106 4.506 . 0 0 "[ . 1 . 2]" 1
552 1 40 ILE HB 1 50 CYS HA 3.300 . 4.300 4.329 4.285 4.363 0.063 4 0 "[ . 1 . 2]" 1
553 1 40 ILE MD 1 41 PHE H 5.000 . 6.700 5.103 4.781 5.420 . 0 0 "[ . 1 . 2]" 1
554 1 40 ILE MD 1 50 CYS H 5.000 . 6.700 5.511 5.288 5.633 . 0 0 "[ . 1 . 2]" 1
555 1 40 ILE MD 1 50 CYS HA 3.300 . 4.800 3.799 3.612 3.913 . 0 0 "[ . 1 . 2]" 1
556 1 40 ILE MD 1 50 CYS QB 5.000 . 7.500 4.424 4.158 4.630 . 0 0 "[ . 1 . 2]" 1
557 1 40 ILE MD 1 51 THR H 5.000 . 6.700 4.742 4.303 5.000 . 0 0 "[ . 1 . 2]" 1
558 1 40 ILE QG 1 50 CYS HA 3.300 . 4.800 2.058 1.876 2.204 . 0 0 "[ . 1 . 2]" 1
559 1 40 ILE MG 1 41 PHE H 5.000 . 6.700 2.373 1.970 3.117 . 0 0 "[ . 1 . 2]" 1
560 1 40 ILE MG 1 41 PHE HA 5.000 . 6.500 3.695 3.403 3.991 . 0 0 "[ . 1 . 2]" 1
561 1 40 ILE MG 1 41 PHE QB 5.000 . 7.500 4.090 3.952 4.432 . 0 0 "[ . 1 . 2]" 1
562 1 40 ILE MG 1 42 THR HA 5.000 . 6.500 3.916 3.648 4.186 . 0 0 "[ . 1 . 2]" 1
563 1 40 ILE MG 1 48 LYS HA 3.300 . 4.800 3.317 3.150 3.638 . 0 0 "[ . 1 . 2]" 1
564 1 41 PHE H 1 41 PHE QB 2.700 . 3.900 2.395 2.242 2.548 . 0 0 "[ . 1 . 2]" 1
565 1 41 PHE H 1 41 PHE QD 3.300 . 5.500 3.342 2.935 3.747 . 0 0 "[ . 1 . 2]" 1
566 1 41 PHE H 1 42 THR H 5.000 . 5.400 4.342 4.136 4.529 . 0 0 "[ . 1 . 2]" 1
567 1 41 PHE H 1 42 THR MG 5.000 . 6.700 5.524 5.470 5.575 . 0 0 "[ . 1 . 2]" 1
568 1 41 PHE H 1 48 LYS HA 5.000 . 5.200 4.724 4.262 5.205 0.005 6 0 "[ . 1 . 2]" 1
569 1 41 PHE H 1 49 VAL HB 5.000 . 5.200 3.170 2.923 3.661 . 0 0 "[ . 1 . 2]" 1
570 1 41 PHE H 1 49 VAL O 2.300 . 2.300 1.748 1.669 1.889 0.031 20 0 "[ . 1 . 2]" 1
571 1 41 PHE H 1 51 THR MG 3.300 . 5.000 3.572 3.314 3.999 . 0 0 "[ . 1 . 2]" 1
572 1 41 PHE HA 1 41 PHE QD 3.300 . 5.300 2.144 1.939 2.326 . 0 0 "[ . 1 . 2]" 1
573 1 41 PHE HA 1 41 PHE QE 5.000 . 7.000 4.285 4.157 4.380 . 0 0 "[ . 1 . 2]" 1
574 1 41 PHE QB 1 42 THR H 3.300 . 4.500 3.420 2.980 3.608 . 0 0 "[ . 1 . 2]" 1
575 1 41 PHE QB 1 43 THR MG 5.000 . 7.500 4.264 4.089 4.519 . 0 0 "[ . 1 . 2]" 1
576 1 41 PHE QB 1 49 VAL H 5.000 . 6.200 3.666 3.428 3.934 . 0 0 "[ . 1 . 2]" 1
577 1 41 PHE QB 1 49 VAL HB 5.000 . 6.000 2.703 2.232 3.076 . 0 0 "[ . 1 . 2]" 1
578 1 41 PHE QB 1 49 VAL MG1 5.000 . 7.500 3.680 2.913 3.954 . 0 0 "[ . 1 . 2]" 1
579 1 41 PHE QB 1 49 VAL MG2 5.000 . 7.500 3.869 3.568 4.295 . 0 0 "[ . 1 . 2]" 1
580 1 41 PHE QD 1 42 THR H 3.300 . 5.500 3.890 3.430 4.108 . 0 0 "[ . 1 . 2]" 1
581 1 41 PHE QD 1 49 VAL HB 5.000 . 7.000 4.023 3.544 4.423 . 0 0 "[ . 1 . 2]" 1
582 1 41 PHE QD 1 49 VAL MG1 5.000 . 8.500 3.873 2.821 4.455 . 0 0 "[ . 1 . 2]" 1
583 1 41 PHE QD 1 58 VAL HA 3.300 . 5.300 4.764 4.577 4.964 . 0 0 "[ . 1 . 2]" 1
584 1 41 PHE QD 1 58 VAL MG1 3.300 . 6.800 4.010 3.816 4.283 . 0 0 "[ . 1 . 2]" 1
585 1 41 PHE QD 1 58 VAL MG2 5.000 . 8.500 4.318 3.947 4.793 . 0 0 "[ . 1 . 2]" 1
586 1 41 PHE QD 1 61 TYR HA 5.000 . 7.000 5.538 5.246 5.989 . 0 0 "[ . 1 . 2]" 1
587 1 41 PHE QD 1 62 ILE HA 5.000 . 7.000 4.091 3.804 4.266 . 0 0 "[ . 1 . 2]" 1
588 1 41 PHE QD 1 65 LEU HG 5.000 . 8.500 4.050 2.094 4.593 . 0 0 "[ . 1 . 2]" 1
589 1 41 PHE QE 1 58 VAL HA 3.300 . 5.300 2.663 2.386 3.069 . 0 0 "[ . 1 . 2]" 1
590 1 41 PHE QE 1 58 VAL MG1 3.300 . 6.800 2.150 1.905 2.701 . 0 0 "[ . 1 . 2]" 1
591 1 41 PHE QE 1 58 VAL MG2 5.000 . 8.500 2.499 2.117 2.872 . 0 0 "[ . 1 . 2]" 1
592 1 41 PHE QE 1 61 TYR HA 5.000 . 7.000 4.552 4.336 4.741 . 0 0 "[ . 1 . 2]" 1
593 1 41 PHE QE 1 62 ILE HA 5.000 . 7.000 2.412 2.205 2.748 . 0 0 "[ . 1 . 2]" 1
594 1 41 PHE QE 1 65 LEU MD1 5.000 . 8.500 3.342 2.589 5.033 . 0 0 "[ . 1 . 2]" 1
595 1 41 PHE O 1 49 VAL H 2.300 . 2.300 1.804 1.679 2.198 0.021 2 0 "[ . 1 . 2]" 1
596 1 42 THR H 1 42 THR HB 2.700 . 2.900 2.869 2.666 3.043 0.143 12 0 "[ . 1 . 2]" 1
597 1 42 THR H 1 43 THR H 5.000 . 5.400 4.596 4.490 4.637 . 0 0 "[ . 1 . 2]" 1
598 1 42 THR H 1 43 THR MG 5.000 . 6.700 5.016 4.799 5.251 . 0 0 "[ . 1 . 2]" 1
599 1 42 THR HA 1 42 THR MG 2.700 . 4.200 2.494 1.950 3.191 . 0 0 "[ . 1 . 2]" 1
600 1 42 THR HA 1 47 LYS H 5.000 . 5.200 5.113 4.684 5.228 0.028 2 0 "[ . 1 . 2]" 1
601 1 42 THR HA 1 48 LYS HA 2.700 . 2.700 1.917 1.855 1.982 . 0 0 "[ . 1 . 2]" 1
602 1 42 THR HA 1 48 LYS QB 3.300 . 4.300 3.749 3.533 3.967 . 0 0 "[ . 1 . 2]" 1
603 1 42 THR HA 1 48 LYS QD 3.300 . 4.800 3.802 2.366 4.358 . 0 0 "[ . 1 . 2]" 1
604 1 42 THR HA 1 48 LYS QE 5.000 . 6.500 5.466 4.074 5.827 . 0 0 "[ . 1 . 2]" 1
605 1 42 THR HA 1 49 VAL H 2.700 . 2.900 2.947 2.905 2.995 0.095 18 0 "[ . 1 . 2]" 1
606 1 42 THR HA 1 49 VAL HB 5.000 . 5.000 4.782 4.364 4.939 . 0 0 "[ . 1 . 2]" 1
607 1 42 THR HA 1 49 VAL MG2 5.000 . 6.500 3.970 3.614 4.363 . 0 0 "[ . 1 . 2]" 1
608 1 42 THR HA 1 65 LEU MD1 5.000 . 6.500 5.446 5.226 5.502 . 0 0 "[ . 1 . 2]" 1
609 1 42 THR HB 1 43 THR H 5.000 . 5.200 3.712 3.367 4.031 . 0 0 "[ . 1 . 2]" 1
610 1 42 THR HB 1 48 LYS HA 5.000 . 5.000 3.952 3.003 4.592 . 0 0 "[ . 1 . 2]" 1
611 1 42 THR HB 1 48 LYS QB 5.000 . 6.000 4.599 3.433 5.431 . 0 0 "[ . 1 . 2]" 1
612 1 42 THR HB 1 48 LYS QD 3.300 . 4.800 3.511 1.848 4.355 . 0 0 "[ . 1 . 2]" 1
613 1 42 THR MG 1 43 THR H 2.700 . 4.400 3.022 2.325 3.711 . 0 0 "[ . 1 . 2]" 1
614 1 42 THR MG 1 46 GLY QA 5.000 . 7.500 3.966 2.786 5.233 . 0 0 "[ . 1 . 2]" 1
615 1 42 THR MG 1 48 LYS HA 5.000 . 6.500 3.073 2.005 4.536 . 0 0 "[ . 1 . 2]" 1
616 1 42 THR MG 1 48 LYS QE 5.000 . 8.000 4.099 3.307 5.932 . 0 0 "[ . 1 . 2]" 1
617 1 43 THR H 1 43 THR MG 2.700 . 4.400 2.646 2.243 3.097 . 0 0 "[ . 1 . 2]" 1
618 1 43 THR H 1 44 LYS H 5.000 . 5.400 4.462 4.403 4.537 . 0 0 "[ . 1 . 2]" 1
619 1 43 THR H 1 46 GLY H 5.000 . 5.400 3.809 3.560 4.384 . 0 0 "[ . 1 . 2]" 1
620 1 43 THR H 1 46 GLY QA 5.000 . 6.200 4.436 4.004 4.907 . 0 0 "[ . 1 . 2]" 1
621 1 43 THR H 1 47 LYS H 3.300 . 3.700 3.327 2.863 3.715 0.015 19 0 "[ . 1 . 2]" 1
622 1 43 THR H 1 48 LYS HA 3.300 . 3.500 3.418 3.064 3.550 0.050 2 0 "[ . 1 . 2]" 1
623 1 43 THR H 1 48 LYS QB 5.000 . 6.200 5.115 4.520 5.381 . 0 0 "[ . 1 . 2]" 1
624 1 43 THR H 1 48 LYS QD 5.000 . 6.700 4.967 3.289 5.573 . 0 0 "[ . 1 . 2]" 1
625 1 43 THR HA 1 43 THR HB 2.700 . 2.700 2.542 2.454 2.668 . 0 0 "[ . 1 . 2]" 1
626 1 43 THR HA 1 43 THR MG 2.700 . 4.200 2.223 2.018 2.337 . 0 0 "[ . 1 . 2]" 1
627 1 43 THR HA 1 44 LYS H 2.700 . 2.900 2.673 2.531 2.758 . 0 0 "[ . 1 . 2]" 1
628 1 43 THR HA 1 44 LYS HA 5.000 . 5.000 4.415 4.392 4.432 . 0 0 "[ . 1 . 2]" 1
629 1 43 THR HA 1 44 LYS QG 5.000 . 6.500 4.297 3.528 5.283 . 0 0 "[ . 1 . 2]" 1
630 1 43 THR HA 1 45 ARG H 5.000 . 5.200 4.346 4.094 4.548 . 0 0 "[ . 1 . 2]" 1
631 1 43 THR HA 1 46 GLY H 5.000 . 5.200 4.986 4.749 5.207 0.007 10 0 "[ . 1 . 2]" 1
632 1 43 THR HB 1 44 LYS H 2.700 . 2.900 2.095 1.930 2.350 . 0 0 "[ . 1 . 2]" 1
633 1 43 THR HB 1 44 LYS HA 5.000 . 5.000 4.689 4.527 4.823 . 0 0 "[ . 1 . 2]" 1
634 1 43 THR HB 1 44 LYS QG 5.000 . 6.500 4.793 4.129 5.663 . 0 0 "[ . 1 . 2]" 1
635 1 43 THR HB 1 45 ARG H 5.000 . 5.200 2.722 2.341 2.971 . 0 0 "[ . 1 . 2]" 1
636 1 43 THR HB 1 46 GLY H 5.000 . 5.200 4.136 3.719 4.661 . 0 0 "[ . 1 . 2]" 1
637 1 43 THR HB 1 47 LYS H 5.000 . 5.200 4.189 3.846 4.992 . 0 0 "[ . 1 . 2]" 1
638 1 43 THR MG 1 44 LYS H 2.700 . 4.400 3.543 3.227 3.725 . 0 0 "[ . 1 . 2]" 1
639 1 43 THR MG 1 45 ARG H 5.000 . 6.700 4.218 4.034 4.333 . 0 0 "[ . 1 . 2]" 1
640 1 43 THR MG 1 49 VAL HB 5.000 . 6.500 4.368 4.138 4.809 . 0 0 "[ . 1 . 2]" 1
641 1 44 LYS H 1 44 LYS QB 2.700 . 3.900 2.095 1.968 2.335 . 0 0 "[ . 1 . 2]" 1
642 1 44 LYS H 1 44 LYS QG 2.700 . 4.400 2.990 2.364 3.714 . 0 0 "[ . 1 . 2]" 1
643 1 44 LYS H 1 45 ARG H 5.000 . 5.400 2.448 2.316 2.656 . 0 0 "[ . 1 . 2]" 1
644 1 44 LYS H 1 45 ARG HA 5.000 . 5.200 5.090 5.022 5.232 0.032 18 0 "[ . 1 . 2]" 1
645 1 44 LYS H 1 46 GLY H 5.000 . 5.400 4.132 3.916 4.454 . 0 0 "[ . 1 . 2]" 1
646 1 44 LYS HA 1 44 LYS QD 3.300 . 4.800 3.154 1.962 3.985 . 0 0 "[ . 1 . 2]" 1
647 1 44 LYS HA 1 44 LYS QG 2.700 . 4.200 2.186 1.924 2.501 . 0 0 "[ . 1 . 2]" 1
648 1 44 LYS HA 1 45 ARG H 5.000 . 5.200 3.454 3.218 3.513 . 0 0 "[ . 1 . 2]" 1
649 1 44 LYS HA 1 46 GLY H 5.000 . 5.200 3.909 3.514 4.156 . 0 0 "[ . 1 . 2]" 1
650 1 44 LYS HA 1 46 GLY QA 5.000 . 6.000 5.042 4.833 5.253 . 0 0 "[ . 1 . 2]" 1
651 1 44 LYS QB 1 45 ARG H 5.000 . 6.200 3.031 2.858 3.524 . 0 0 "[ . 1 . 2]" 1
652 1 44 LYS QG 1 45 ARG H 5.000 . 6.700 4.403 4.132 4.582 . 0 0 "[ . 1 . 2]" 1
653 1 45 ARG H 1 45 ARG QB 2.700 . 3.900 2.127 1.978 2.341 . 0 0 "[ . 1 . 2]" 1
654 1 45 ARG H 1 46 GLY H 3.300 . 3.700 2.444 2.035 2.738 . 0 0 "[ . 1 . 2]" 1
655 1 45 ARG H 1 46 GLY QA 5.000 . 6.200 4.444 4.128 4.570 . 0 0 "[ . 1 . 2]" 1
656 1 45 ARG H 1 47 LYS H 3.300 . 3.700 3.537 3.281 3.739 0.039 19 0 "[ . 1 . 2]" 1
657 1 45 ARG HA 1 46 GLY H 3.300 . 3.500 3.429 3.133 3.505 0.005 6 0 "[ . 1 . 2]" 1
658 1 45 ARG QB 1 46 GLY H 5.000 . 6.200 3.067 2.791 3.639 . 0 0 "[ . 1 . 2]" 1
659 1 46 GLY H 1 47 LYS H 2.700 . 3.100 2.167 1.917 2.574 . 0 0 "[ . 1 . 2]" 1
660 1 46 GLY QA 1 47 LYS H 2.700 . 3.900 2.925 2.836 2.958 . 0 0 "[ . 1 . 2]" 1
661 1 47 LYS H 1 47 LYS HA 2.700 . 2.900 2.950 2.912 2.987 0.087 12 0 "[ . 1 . 2]" 1
662 1 47 LYS H 1 47 LYS QD 3.300 . 5.000 4.163 3.454 4.484 . 0 0 "[ . 1 . 2]" 1
663 1 47 LYS H 1 47 LYS QG 3.300 . 5.000 3.478 2.025 4.012 . 0 0 "[ . 1 . 2]" 1
664 1 47 LYS H 1 48 LYS H 5.000 . 5.400 4.438 4.129 4.657 . 0 0 "[ . 1 . 2]" 1
665 1 47 LYS HA 1 47 LYS QD 3.300 . 4.800 3.349 1.991 4.039 . 0 0 "[ . 1 . 2]" 1
666 1 47 LYS HA 1 47 LYS QG 2.700 . 4.200 2.249 1.922 3.342 . 0 0 "[ . 1 . 2]" 1
667 1 47 LYS HA 1 48 LYS H 2.700 . 2.900 2.261 2.209 2.404 . 0 0 "[ . 1 . 2]" 1
668 1 47 LYS HA 1 48 LYS HA 5.000 . 5.000 4.505 4.458 4.577 . 0 0 "[ . 1 . 2]" 1
669 1 47 LYS QG 1 48 LYS H 5.000 . 6.700 3.518 2.451 4.402 . 0 0 "[ . 1 . 2]" 1
670 1 48 LYS H 1 49 VAL H 5.000 . 5.400 4.481 4.219 4.633 . 0 0 "[ . 1 . 2]" 1
671 1 48 LYS HA 1 48 LYS QE 5.000 . 6.500 4.548 3.885 5.031 . 0 0 "[ . 1 . 2]" 1
672 1 48 LYS HA 1 49 VAL H 2.700 . 2.900 2.220 2.198 2.282 . 0 0 "[ . 1 . 2]" 1
673 1 48 LYS HA 1 49 VAL HA 5.000 . 5.000 4.487 4.471 4.515 . 0 0 "[ . 1 . 2]" 1
674 1 48 LYS HA 1 49 VAL HB 5.000 . 5.000 4.560 4.396 4.675 . 0 0 "[ . 1 . 2]" 1
675 1 48 LYS HA 1 49 VAL MG2 5.000 . 6.500 3.554 3.306 3.913 . 0 0 "[ . 1 . 2]" 1
676 1 48 LYS QB 1 49 VAL H 5.000 . 6.200 3.420 2.961 3.970 . 0 0 "[ . 1 . 2]" 1
677 1 49 VAL H 1 49 VAL HB 2.700 . 2.900 2.456 2.372 2.551 . 0 0 "[ . 1 . 2]" 1
678 1 49 VAL H 1 49 VAL MG2 2.700 . 4.400 2.524 2.249 2.858 . 0 0 "[ . 1 . 2]" 1
679 1 49 VAL H 1 50 CYS H 5.000 . 5.400 4.486 4.180 4.575 . 0 0 "[ . 1 . 2]" 1
680 1 49 VAL HA 1 49 VAL MG1 2.700 . 4.200 2.355 2.258 2.457 . 0 0 "[ . 1 . 2]" 1
681 1 49 VAL HA 1 49 VAL MG2 2.700 . 4.200 2.318 2.207 2.438 . 0 0 "[ . 1 . 2]" 1
682 1 49 VAL HA 1 50 CYS H 2.700 . 2.900 2.241 2.212 2.321 . 0 0 "[ . 1 . 2]" 1
683 1 49 VAL HA 1 50 CYS QB 5.000 . 6.000 4.206 4.105 4.381 . 0 0 "[ . 1 . 2]" 1
684 1 49 VAL HB 1 50 CYS H 5.000 . 5.200 4.185 3.909 4.461 . 0 0 "[ . 1 . 2]" 1
685 1 49 VAL HB 1 51 THR MG 5.000 . 6.500 3.779 3.430 4.144 . 0 0 "[ . 1 . 2]" 1
686 1 49 VAL MG1 1 50 CYS H 3.300 . 5.000 2.572 2.191 3.012 . 0 0 "[ . 1 . 2]" 1
687 1 49 VAL MG1 1 51 THR HA 5.000 . 6.500 4.587 4.498 4.699 . 0 0 "[ . 1 . 2]" 1
688 1 49 VAL MG1 1 51 THR MG 2.700 . 5.700 2.694 2.377 2.912 . 0 0 "[ . 1 . 2]" 1
689 1 50 CYS H 1 50 CYS HB2 2.700 . 2.900 2.148 2.037 2.347 . 0 0 "[ . 1 . 2]" 1
690 1 50 CYS H 1 50 CYS HB3 3.300 . 3.500 3.479 3.408 3.560 0.060 20 0 "[ . 1 . 2]" 1
691 1 50 CYS H 1 51 THR H 5.000 . 5.400 4.647 4.613 4.678 . 0 0 "[ . 1 . 2]" 1
692 1 50 CYS QB 1 51 THR HA 5.000 . 6.000 3.982 3.933 4.029 . 0 0 "[ . 1 . 2]" 1
693 1 50 CYS HB3 1 51 THR H 5.000 . 5.200 2.788 2.517 3.021 . 0 0 "[ . 1 . 2]" 1
694 1 51 THR H 1 51 THR MG 2.700 . 4.400 3.374 3.001 3.572 . 0 0 "[ . 1 . 2]" 1
695 1 51 THR H 1 52 HIS H 5.000 . 5.400 4.397 4.334 4.426 . 0 0 "[ . 1 . 2]" 1
696 1 51 THR HA 1 51 THR HB 2.700 . 2.700 2.618 2.493 2.720 0.020 13 0 "[ . 1 . 2]" 1
697 1 51 THR HA 1 51 THR MG 3.300 . 4.800 2.117 2.005 2.293 . 0 0 "[ . 1 . 2]" 1
698 1 51 THR HA 1 52 HIS H 2.700 . 2.900 2.521 2.333 2.794 . 0 0 "[ . 1 . 2]" 1
699 1 51 THR HA 1 52 HIS QB 5.000 . 6.000 3.993 3.866 4.241 . 0 0 "[ . 1 . 2]" 1
700 1 51 THR HA 1 58 VAL MG2 5.000 . 6.500 4.004 3.661 4.586 . 0 0 "[ . 1 . 2]" 1
701 1 51 THR HB 1 52 HIS H 2.700 . 2.900 2.487 1.942 2.914 0.014 8 0 "[ . 1 . 2]" 1
702 1 51 THR HB 1 57 TRP HZ2 5.000 . 7.000 3.994 2.680 7.043 0.043 18 0 "[ . 1 . 2]" 1
703 1 51 THR HB 1 58 VAL MG2 2.700 . 4.200 2.195 1.898 2.575 . 0 0 "[ . 1 . 2]" 1
704 1 51 THR HG1 1 58 VAL HA 5.000 . 6.500 5.103 4.209 6.240 . 0 0 "[ . 1 . 2]" 1
705 1 51 THR MG 1 52 HIS H 3.300 . 5.000 3.504 3.095 3.928 . 0 0 "[ . 1 . 2]" 1
706 1 51 THR MG 1 52 HIS QB 5.000 . 7.500 4.883 4.501 5.258 . 0 0 "[ . 1 . 2]" 1
707 1 52 HIS H 1 52 HIS HA 2.700 . 2.900 2.963 2.902 2.991 0.091 10 0 "[ . 1 . 2]" 1
708 1 52 HIS H 1 52 HIS QB 2.700 . 3.900 2.168 1.954 2.383 . 0 0 "[ . 1 . 2]" 1
709 1 52 HIS H 1 52 HIS HD1 3.300 . 5.500 4.076 3.290 4.401 . 0 0 "[ . 1 . 2]" 1
710 1 52 HIS H 1 53 PRO QD 5.000 . 6.700 4.381 4.318 4.419 . 0 0 "[ . 1 . 2]" 1
711 1 52 HIS HA 1 53 PRO QB 5.000 . 6.000 4.581 4.554 4.609 . 0 0 "[ . 1 . 2]" 1
712 1 52 HIS HA 1 53 PRO QD 2.700 . 4.200 2.003 1.922 2.024 . 0 0 "[ . 1 . 2]" 1
713 1 52 HIS HA 1 53 PRO QG 5.000 . 6.500 3.921 3.877 3.949 . 0 0 "[ . 1 . 2]" 1
714 1 52 HIS HA 1 54 ARG H 5.000 . 5.200 3.879 3.695 4.088 . 0 0 "[ . 1 . 2]" 1
715 1 52 HIS QB 1 53 PRO HA 5.000 . 6.000 4.639 4.513 4.735 . 0 0 "[ . 1 . 2]" 1
716 1 52 HIS QB 1 53 PRO QD 5.000 . 7.500 3.146 2.730 3.321 . 0 0 "[ . 1 . 2]" 1
717 1 52 HIS QB 1 54 ARG H 5.000 . 6.200 2.940 2.412 3.403 . 0 0 "[ . 1 . 2]" 1
718 1 52 HIS QB 1 55 LYS H 5.000 . 6.200 2.592 2.317 2.825 . 0 0 "[ . 1 . 2]" 1
719 1 52 HIS QB 1 55 LYS QD 5.000 . 7.500 2.762 1.797 3.582 0.003 4 0 "[ . 1 . 2]" 1
720 1 52 HIS QB 1 55 LYS QG 5.000 . 7.500 3.695 1.839 4.598 . 0 0 "[ . 1 . 2]" 1
721 1 52 HIS HD1 1 53 PRO QD 5.000 . 8.500 2.489 1.835 3.114 . 0 0 "[ . 1 . 2]" 1
722 1 53 PRO HA 1 54 ARG H 5.000 . 5.200 3.500 3.379 3.561 . 0 0 "[ . 1 . 2]" 1
723 1 53 PRO HA 1 55 LYS H 5.000 . 5.200 4.278 3.805 4.732 . 0 0 "[ . 1 . 2]" 1
724 1 53 PRO HA 1 55 LYS QB 5.000 . 6.000 4.702 4.270 4.940 . 0 0 "[ . 1 . 2]" 1
725 1 53 PRO HA 1 58 VAL HB 3.300 . 3.300 3.267 2.886 3.355 0.055 19 0 "[ . 1 . 2]" 1
726 1 53 PRO HA 1 58 VAL MG1 2.700 . 4.200 2.334 1.986 2.716 . 0 0 "[ . 1 . 2]" 1
727 1 53 PRO HA 1 58 VAL MG2 5.000 . 6.500 3.981 3.494 4.220 . 0 0 "[ . 1 . 2]" 1
728 1 53 PRO QB 1 54 ARG HA 5.000 . 6.000 4.093 4.006 4.216 . 0 0 "[ . 1 . 2]" 1
729 1 53 PRO QB 1 58 VAL MG1 3.300 . 5.800 3.752 3.515 3.995 . 0 0 "[ . 1 . 2]" 1
730 1 53 PRO QB 1 62 ILE MD 5.000 . 7.500 3.751 3.207 5.031 . 0 0 "[ . 1 . 2]" 1
731 1 53 PRO QD 1 54 ARG H 5.000 . 6.700 2.439 2.235 2.674 . 0 0 "[ . 1 . 2]" 1
732 1 53 PRO QG 1 55 LYS QE 5.000 . 8.000 6.056 5.577 6.338 . 0 0 "[ . 1 . 2]" 1
733 1 54 ARG H 1 54 ARG QB 2.700 . 3.900 2.091 1.931 2.442 . 0 0 "[ . 1 . 2]" 1
734 1 54 ARG H 1 54 ARG QG 2.700 . 4.400 3.380 2.003 3.995 . 0 0 "[ . 1 . 2]" 1
735 1 54 ARG H 1 55 LYS H 2.700 . 3.100 2.678 2.351 2.887 . 0 0 "[ . 1 . 2]" 1
736 1 54 ARG HA 1 54 ARG QG 2.700 . 4.200 2.231 1.967 3.306 . 0 0 "[ . 1 . 2]" 1
737 1 54 ARG HA 1 59 GLN QG 5.000 . 6.500 4.551 4.103 5.639 . 0 0 "[ . 1 . 2]" 1
738 1 54 ARG QB 1 55 LYS H 5.000 . 6.200 2.628 2.304 3.576 . 0 0 "[ . 1 . 2]" 1
739 1 55 LYS H 1 55 LYS HA 2.700 . 2.900 2.848 2.792 2.919 0.019 20 0 "[ . 1 . 2]" 1
740 1 55 LYS H 1 56 LYS H 5.000 . 5.400 4.535 4.448 4.615 . 0 0 "[ . 1 . 2]" 1
741 1 55 LYS H 1 58 VAL H 5.000 . 5.400 4.847 4.629 5.013 . 0 0 "[ . 1 . 2]" 1
742 1 55 LYS H 1 58 VAL MG2 5.000 . 6.700 3.452 2.882 4.029 . 0 0 "[ . 1 . 2]" 1
743 1 55 LYS HA 1 55 LYS QD 2.700 . 4.200 3.378 2.105 3.939 . 0 0 "[ . 1 . 2]" 1
744 1 55 LYS HA 1 55 LYS QE 5.000 . 6.500 3.189 1.929 4.608 . 0 0 "[ . 1 . 2]" 1
745 1 55 LYS HA 1 55 LYS QG 3.300 . 4.800 2.089 1.922 2.901 . 0 0 "[ . 1 . 2]" 1
746 1 55 LYS HA 1 56 LYS H 2.700 . 2.900 2.212 2.192 2.270 . 0 0 "[ . 1 . 2]" 1
747 1 55 LYS HA 1 57 TRP HD1 5.000 . 7.000 4.481 3.899 7.134 0.134 20 0 "[ . 1 . 2]" 1
748 1 55 LYS HA 1 58 VAL MG2 5.000 . 6.500 4.215 3.942 4.804 . 0 0 "[ . 1 . 2]" 1
749 1 55 LYS HA 1 59 GLN QG 5.000 . 6.500 5.422 5.072 5.770 . 0 0 "[ . 1 . 2]" 1
750 1 55 LYS QB 1 57 TRP HD1 5.000 . 7.500 2.496 1.901 5.525 . 0 0 "[ . 1 . 2]" 1
751 1 55 LYS QD 1 57 TRP HD1 5.000 . 8.500 4.040 2.413 5.526 . 0 0 "[ . 1 . 2]" 1
752 1 55 LYS QD 1 57 TRP HZ2 5.000 . 8.500 6.104 4.521 7.572 . 0 0 "[ . 1 . 2]" 1
753 1 55 LYS QD 1 58 VAL MG2 5.000 . 8.000 3.382 2.614 4.223 . 0 0 "[ . 1 . 2]" 1
754 1 55 LYS O 1 58 VAL H 2.300 . 2.300 2.227 1.942 2.326 0.026 14 0 "[ . 1 . 2]" 1
755 1 56 LYS H 1 56 LYS QB 3.300 . 4.500 2.096 1.929 2.383 . 0 0 "[ . 1 . 2]" 1
756 1 56 LYS H 1 57 TRP H 5.000 . 5.400 2.833 2.686 2.974 . 0 0 "[ . 1 . 2]" 1
757 1 56 LYS HA 1 56 LYS QE 5.000 . 6.500 4.327 3.686 5.437 . 0 0 "[ . 1 . 2]" 1
758 1 56 LYS HA 1 56 LYS QG 3.300 . 4.800 2.310 1.931 3.303 . 0 0 "[ . 1 . 2]" 1
759 1 56 LYS HA 1 57 TRP H 5.000 . 5.200 3.562 3.440 3.600 . 0 0 "[ . 1 . 2]" 1
760 1 56 LYS HA 1 58 VAL H 5.000 . 5.200 4.180 3.985 4.354 . 0 0 "[ . 1 . 2]" 1
761 1 56 LYS HA 1 59 GLN H 3.300 . 3.500 3.413 2.999 3.564 0.064 17 0 "[ . 1 . 2]" 1
762 1 56 LYS HA 1 59 GLN QB 5.000 . 6.000 2.841 2.399 3.854 . 0 0 "[ . 1 . 2]" 1
763 1 56 LYS HA 1 59 GLN QG 5.000 . 6.500 2.940 1.923 3.381 . 0 0 "[ . 1 . 2]" 1
764 1 56 LYS HA 1 60 LYS H 5.000 . 5.200 4.363 4.051 4.712 . 0 0 "[ . 1 . 2]" 1
765 1 56 LYS QB 1 58 VAL H 5.000 . 6.200 4.669 4.484 5.107 . 0 0 "[ . 1 . 2]" 1
766 1 57 TRP H 1 57 TRP QB 2.700 . 3.900 2.037 1.919 2.231 . 0 0 "[ . 1 . 2]" 1
767 1 57 TRP H 1 57 TRP HD1 2.700 . 4.900 3.229 2.708 4.680 . 0 0 "[ . 1 . 2]" 1
768 1 57 TRP H 1 57 TRP HE1 5.000 . 7.200 5.496 4.894 6.827 . 0 0 "[ . 1 . 2]" 1
769 1 57 TRP H 1 57 TRP HE3 5.000 . 7.200 5.291 4.779 5.565 . 0 0 "[ . 1 . 2]" 1
770 1 57 TRP H 1 58 VAL H 3.300 . 3.700 2.778 2.336 2.931 . 0 0 "[ . 1 . 2]" 1
771 1 57 TRP H 1 58 VAL MG2 5.000 . 6.700 4.058 3.742 4.335 . 0 0 "[ . 1 . 2]" 1
772 1 57 TRP H 1 59 GLN H 5.000 . 5.400 4.468 4.118 4.710 . 0 0 "[ . 1 . 2]" 1
773 1 57 TRP HA 1 57 TRP HD1 5.000 . 7.000 4.585 3.459 4.802 . 0 0 "[ . 1 . 2]" 1
774 1 57 TRP HA 1 57 TRP HE3 5.000 . 7.000 3.686 3.443 4.152 . 0 0 "[ . 1 . 2]" 1
775 1 57 TRP HA 1 57 TRP HZ3 5.000 . 7.000 6.030 5.815 6.243 . 0 0 "[ . 1 . 2]" 1
776 1 57 TRP HA 1 58 VAL H 5.000 . 5.200 3.549 3.493 3.579 . 0 0 "[ . 1 . 2]" 1
777 1 57 TRP HA 1 59 GLN H 5.000 . 5.200 4.692 4.418 4.837 . 0 0 "[ . 1 . 2]" 1
778 1 57 TRP HA 1 60 LYS H 3.300 . 3.500 3.474 3.289 3.583 0.083 20 0 "[ . 1 . 2]" 1
779 1 57 TRP HA 1 60 LYS QB 5.000 . 6.000 2.458 2.146 2.952 . 0 0 "[ . 1 . 2]" 1
780 1 57 TRP HA 1 60 LYS QD 5.000 . 6.500 3.610 2.317 4.797 . 0 0 "[ . 1 . 2]" 1
781 1 57 TRP HA 1 60 LYS QE 5.000 . 6.500 4.755 2.833 5.736 . 0 0 "[ . 1 . 2]" 1
782 1 57 TRP HA 1 61 TYR H 5.000 . 5.200 4.453 4.194 4.643 . 0 0 "[ . 1 . 2]" 1
783 1 57 TRP HA 1 61 TYR QE 5.000 . 7.000 5.162 4.535 5.565 . 0 0 "[ . 1 . 2]" 1
784 1 57 TRP QB 1 57 TRP HZ3 5.000 . 8.000 4.952 4.843 5.029 . 0 0 "[ . 1 . 2]" 1
785 1 57 TRP QB 1 58 VAL H 5.000 . 6.200 3.258 2.295 3.488 . 0 0 "[ . 1 . 2]" 1
786 1 57 TRP QB 1 60 LYS QB 5.000 . 7.000 3.979 3.721 4.687 . 0 0 "[ . 1 . 2]" 1
787 1 57 TRP HD1 1 58 VAL H 5.000 . 7.200 3.446 2.516 5.706 . 0 0 "[ . 1 . 2]" 1
788 1 57 TRP HE1 1 58 VAL H 5.000 . 7.200 4.456 4.024 6.949 . 0 0 "[ . 1 . 2]" 1
789 1 57 TRP HE1 1 58 VAL MG2 5.000 . 8.500 2.761 2.205 6.285 . 0 0 "[ . 1 . 2]" 1
790 1 57 TRP HE3 1 58 VAL H 5.000 . 7.200 4.368 2.678 5.463 . 0 0 "[ . 1 . 2]" 1
791 1 57 TRP HE3 1 58 VAL HA 3.300 . 5.300 3.736 2.093 5.254 . 0 0 "[ . 1 . 2]" 1
792 1 57 TRP HE3 1 58 VAL MG2 5.000 . 8.500 4.145 1.880 5.364 . 0 0 "[ . 1 . 2]" 1
793 1 57 TRP HE3 1 61 TYR QE 5.000 . 9.000 3.179 2.669 5.397 . 0 0 "[ . 1 . 2]" 1
794 1 57 TRP HZ2 1 58 VAL MG2 5.000 . 8.500 3.271 2.562 5.840 . 0 0 "[ . 1 . 2]" 1
795 1 57 TRP HZ2 1 61 TYR H 5.000 . 7.200 7.236 7.161 7.299 0.099 15 0 "[ . 1 . 2]" 1
796 1 57 TRP HZ3 1 58 VAL HA 5.000 . 7.000 4.205 2.941 6.125 . 0 0 "[ . 1 . 2]" 1
797 1 57 TRP HZ3 1 58 VAL MG2 5.000 . 8.500 4.634 2.701 6.270 . 0 0 "[ . 1 . 2]" 1
798 1 57 TRP HZ3 1 61 TYR QE 3.300 . 7.300 3.211 2.412 4.495 . 0 0 "[ . 1 . 2]" 1
799 1 57 TRP O 1 61 TYR H 2.300 . 2.300 2.212 2.016 2.334 0.034 20 0 "[ . 1 . 2]" 1
800 1 58 VAL H 1 58 VAL HB 2.700 . 2.900 2.389 2.294 2.506 . 0 0 "[ . 1 . 2]" 1
801 1 58 VAL H 1 58 VAL MG2 2.700 . 4.400 2.048 1.897 2.295 . 0 0 "[ . 1 . 2]" 1
802 1 58 VAL H 1 59 GLN H 2.700 . 3.100 2.727 2.576 2.840 . 0 0 "[ . 1 . 2]" 1
803 1 58 VAL H 1 60 LYS H 5.000 . 5.400 3.824 3.707 4.049 . 0 0 "[ . 1 . 2]" 1
804 1 58 VAL HA 1 58 VAL MG1 3.300 . 4.800 2.407 2.275 2.490 . 0 0 "[ . 1 . 2]" 1
805 1 58 VAL HA 1 59 GLN H 5.000 . 5.200 3.585 3.554 3.601 . 0 0 "[ . 1 . 2]" 1
806 1 58 VAL HA 1 60 LYS H 5.000 . 5.200 4.017 3.865 4.207 . 0 0 "[ . 1 . 2]" 1
807 1 58 VAL HA 1 61 TYR H 5.000 . 5.200 3.207 3.075 3.342 . 0 0 "[ . 1 . 2]" 1
808 1 58 VAL HA 1 61 TYR QB 3.300 . 4.300 2.538 2.252 2.742 . 0 0 "[ . 1 . 2]" 1
809 1 58 VAL HA 1 61 TYR QD 5.000 . 7.000 4.133 3.704 4.460 . 0 0 "[ . 1 . 2]" 1
810 1 58 VAL HA 1 62 ILE H 5.000 . 5.200 4.149 3.876 4.629 . 0 0 "[ . 1 . 2]" 1
811 1 58 VAL HB 1 59 GLN H 2.700 . 2.900 2.339 2.166 2.640 . 0 0 "[ . 1 . 2]" 1
812 1 58 VAL HB 1 61 TYR H 5.000 . 5.200 5.258 5.221 5.300 0.100 14 0 "[ . 1 . 2]" 1
813 1 58 VAL MG1 1 58 VAL MG2 2.700 . 5.700 2.019 1.917 2.085 . 0 0 "[ . 1 . 2]" 1
814 1 58 VAL MG1 1 59 GLN H 3.300 . 5.000 3.278 3.089 3.495 . 0 0 "[ . 1 . 2]" 1
815 1 58 VAL MG1 1 59 GLN HA 3.300 . 4.800 3.536 3.293 3.706 . 0 0 "[ . 1 . 2]" 1
816 1 58 VAL MG1 1 61 TYR H 5.000 . 6.700 4.326 4.233 4.401 . 0 0 "[ . 1 . 2]" 1
817 1 58 VAL MG1 1 62 ILE H 5.000 . 6.700 3.893 3.462 4.312 . 0 0 "[ . 1 . 2]" 1
818 1 58 VAL MG2 1 59 GLN H 5.000 . 6.700 3.743 3.630 3.868 . 0 0 "[ . 1 . 2]" 1
819 1 58 VAL O 1 62 ILE H 2.300 . 2.300 1.945 1.735 2.281 . 0 0 "[ . 1 . 2]" 1
820 1 59 GLN H 1 59 GLN HA 2.700 . 2.900 2.846 2.831 2.867 . 0 0 "[ . 1 . 2]" 1
821 1 59 GLN H 1 59 GLN QB 2.700 . 3.900 2.336 2.228 2.503 . 0 0 "[ . 1 . 2]" 1
822 1 59 GLN H 1 59 GLN QE 5.000 . 6.700 4.457 3.555 5.000 . 0 0 "[ . 1 . 2]" 1
823 1 59 GLN H 1 59 GLN QG 2.700 . 4.400 2.155 1.919 2.401 . 0 0 "[ . 1 . 2]" 1
824 1 59 GLN H 1 60 LYS H 2.700 . 3.100 2.623 2.582 2.672 . 0 0 "[ . 1 . 2]" 1
825 1 59 GLN H 1 60 LYS HA 5.000 . 5.200 5.284 5.262 5.316 0.116 11 0 "[ . 1 . 2]" 1
826 1 59 GLN H 1 61 TYR H 5.000 . 5.400 4.150 3.904 4.250 . 0 0 "[ . 1 . 2]" 1
827 1 59 GLN HA 1 59 GLN QG 3.300 . 4.800 2.490 2.220 3.324 . 0 0 "[ . 1 . 2]" 1
828 1 59 GLN HA 1 60 LYS H 5.000 . 5.200 3.504 3.482 3.547 . 0 0 "[ . 1 . 2]" 1
829 1 59 GLN HA 1 62 ILE H 3.300 . 3.500 3.398 3.255 3.522 0.022 5 0 "[ . 1 . 2]" 1
830 1 59 GLN HA 1 62 ILE HB 3.300 . 3.300 2.666 2.370 3.027 . 0 0 "[ . 1 . 2]" 1
831 1 59 GLN HA 1 62 ILE MD 3.300 . 4.800 2.130 1.799 4.058 0.001 1 0 "[ . 1 . 2]" 1
832 1 59 GLN HA 1 62 ILE QG 3.300 . 4.800 3.266 2.339 3.680 . 0 0 "[ . 1 . 2]" 1
833 1 59 GLN HA 1 62 ILE MG 5.000 . 6.500 3.915 3.612 4.346 . 0 0 "[ . 1 . 2]" 1
834 1 59 GLN HA 1 63 SER H 5.000 . 5.200 4.094 3.929 4.465 . 0 0 "[ . 1 . 2]" 1
835 1 59 GLN QB 1 62 ILE H 5.000 . 6.200 4.882 4.661 5.029 . 0 0 "[ . 1 . 2]" 1
836 1 59 GLN O 1 63 SER H 2.300 . 2.300 2.298 2.102 2.343 0.043 11 0 "[ . 1 . 2]" 1
837 1 60 LYS H 1 60 LYS HA 2.700 . 2.900 2.894 2.866 2.912 0.012 5 0 "[ . 1 . 2]" 1
838 1 60 LYS H 1 60 LYS QB 2.700 . 3.900 2.068 1.929 2.186 . 0 0 "[ . 1 . 2]" 1
839 1 60 LYS H 1 60 LYS QG 3.300 . 5.000 3.673 2.440 4.004 . 0 0 "[ . 1 . 2]" 1
840 1 60 LYS H 1 61 TYR H 2.700 . 3.100 2.509 2.444 2.588 . 0 0 "[ . 1 . 2]" 1
841 1 60 LYS H 1 61 TYR QD 5.000 . 7.200 4.360 3.865 4.684 . 0 0 "[ . 1 . 2]" 1
842 1 60 LYS HA 1 60 LYS QD 3.300 . 4.800 3.388 2.005 4.125 . 0 0 "[ . 1 . 2]" 1
843 1 60 LYS HA 1 60 LYS QE 5.000 . 6.500 4.023 2.153 4.622 . 0 0 "[ . 1 . 2]" 1
844 1 60 LYS HA 1 60 LYS QG 3.300 . 4.800 2.205 1.954 2.701 . 0 0 "[ . 1 . 2]" 1
845 1 60 LYS HA 1 61 TYR H 5.000 . 5.200 3.547 3.498 3.561 . 0 0 "[ . 1 . 2]" 1
846 1 60 LYS HA 1 63 SER H 5.000 . 5.200 3.769 3.549 3.962 . 0 0 "[ . 1 . 2]" 1
847 1 60 LYS HA 1 64 LEU MD1 5.000 . 6.500 3.765 3.299 4.230 . 0 0 "[ . 1 . 2]" 1
848 1 60 LYS QB 1 61 TYR H 2.700 . 3.900 2.678 2.572 2.893 . 0 0 "[ . 1 . 2]" 1
849 1 60 LYS QB 1 61 TYR QD 5.000 . 8.000 2.689 2.269 2.974 . 0 0 "[ . 1 . 2]" 1
850 1 60 LYS QB 1 63 SER H 5.000 . 6.200 5.202 4.967 5.344 . 0 0 "[ . 1 . 2]" 1
851 1 60 LYS QG 1 61 TYR H 3.300 . 5.000 4.180 3.606 4.519 . 0 0 "[ . 1 . 2]" 1
852 1 60 LYS O 1 64 LEU H 2.300 . 2.300 2.271 2.108 2.334 0.034 20 0 "[ . 1 . 2]" 1
853 1 61 TYR H 1 61 TYR HA 2.700 . 2.900 2.922 2.896 2.943 0.043 13 0 "[ . 1 . 2]" 1
854 1 61 TYR H 1 61 TYR HB2 2.700 . 2.900 2.014 1.981 2.081 . 0 0 "[ . 1 . 2]" 1
855 1 61 TYR H 1 61 TYR QD 2.700 . 4.900 2.683 2.262 2.955 . 0 0 "[ . 1 . 2]" 1
856 1 61 TYR H 1 62 ILE H 2.700 . 3.100 2.470 2.375 2.551 . 0 0 "[ . 1 . 2]" 1
857 1 61 TYR H 1 62 ILE QG 5.000 . 6.700 3.812 3.600 4.008 . 0 0 "[ . 1 . 2]" 1
858 1 61 TYR H 1 63 SER H 5.000 . 5.400 4.179 3.888 4.448 . 0 0 "[ . 1 . 2]" 1
859 1 61 TYR H 1 64 LEU H 5.000 . 5.400 4.683 4.511 4.820 . 0 0 "[ . 1 . 2]" 1
860 1 61 TYR HA 1 61 TYR QD 2.700 . 4.700 2.773 2.444 2.975 . 0 0 "[ . 1 . 2]" 1
861 1 61 TYR HA 1 61 TYR QE 5.000 . 7.000 4.319 4.184 4.416 . 0 0 "[ . 1 . 2]" 1
862 1 61 TYR HA 1 62 ILE H 3.300 . 3.500 3.535 3.487 3.571 0.071 20 0 "[ . 1 . 2]" 1
863 1 61 TYR HA 1 63 SER H 5.000 . 5.200 4.472 4.117 4.785 . 0 0 "[ . 1 . 2]" 1
864 1 61 TYR HA 1 64 LEU H 3.300 . 3.500 3.359 3.096 3.511 0.011 17 0 "[ . 1 . 2]" 1
865 1 61 TYR HA 1 64 LEU QB 3.300 . 4.300 2.315 2.013 2.598 . 0 0 "[ . 1 . 2]" 1
866 1 61 TYR HA 1 64 LEU MD1 3.300 . 4.800 2.864 2.177 3.494 . 0 0 "[ . 1 . 2]" 1
867 1 61 TYR HA 1 65 LEU H 3.300 . 3.500 3.520 3.401 3.590 0.090 10 0 "[ . 1 . 2]" 1
868 1 61 TYR HA 1 65 LEU MD1 5.000 . 6.500 4.398 3.886 5.431 . 0 0 "[ . 1 . 2]" 1
869 1 61 TYR QD 1 62 ILE H 5.000 . 7.200 4.535 4.351 4.648 . 0 0 "[ . 1 . 2]" 1
870 1 61 TYR QD 1 64 LEU MD1 5.000 . 8.500 3.694 2.633 4.750 . 0 0 "[ . 1 . 2]" 1
871 1 61 TYR QE 1 64 LEU MD1 5.000 . 8.500 4.257 3.418 5.497 . 0 0 "[ . 1 . 2]" 1
872 1 61 TYR O 1 65 LEU H 2.300 . 2.300 1.747 1.627 2.064 0.073 10 0 "[ . 1 . 2]" 1
873 1 62 ILE H 1 62 ILE HA 2.700 . 2.900 2.873 2.832 2.921 0.021 9 0 "[ . 1 . 2]" 1
874 1 62 ILE H 1 62 ILE QG 2.700 . 4.400 1.985 1.922 2.178 . 0 0 "[ . 1 . 2]" 1
875 1 62 ILE H 1 62 ILE MG 2.700 . 4.400 3.710 3.688 3.726 . 0 0 "[ . 1 . 2]" 1
876 1 62 ILE H 1 63 SER H 2.700 . 3.100 2.683 2.500 2.831 . 0 0 "[ . 1 . 2]" 1
877 1 62 ILE HA 1 62 ILE QG 3.300 . 4.800 2.454 2.405 2.885 . 0 0 "[ . 1 . 2]" 1
878 1 62 ILE HA 1 62 ILE MG 2.700 . 4.200 2.355 2.252 2.442 . 0 0 "[ . 1 . 2]" 1
879 1 62 ILE HA 1 63 SER H 5.000 . 5.200 3.570 3.527 3.591 . 0 0 "[ . 1 . 2]" 1
880 1 62 ILE HA 1 65 LEU H 5.000 . 5.200 3.725 3.532 3.888 . 0 0 "[ . 1 . 2]" 1
881 1 62 ILE HA 1 65 LEU QB 5.000 . 6.000 2.806 2.579 2.891 . 0 0 "[ . 1 . 2]" 1
882 1 62 ILE HA 1 65 LEU MD1 5.000 . 6.500 3.955 3.456 5.381 . 0 0 "[ . 1 . 2]" 1
883 1 62 ILE HA 1 65 LEU MD2 5.000 . 6.500 5.302 3.873 5.485 . 0 0 "[ . 1 . 2]" 1
884 1 62 ILE QG 1 63 SER H 5.000 . 6.700 3.962 3.814 4.067 . 0 0 "[ . 1 . 2]" 1
885 1 62 ILE MG 1 63 SER H 3.300 . 5.000 3.415 3.201 3.648 . 0 0 "[ . 1 . 2]" 1
886 1 62 ILE MG 1 63 SER QB 5.000 . 7.500 4.327 3.962 4.738 . 0 0 "[ . 1 . 2]" 1
887 1 63 SER H 1 63 SER HA 2.700 . 2.900 2.888 2.837 2.936 0.036 20 0 "[ . 1 . 2]" 1
888 1 63 SER H 1 63 SER QB 2.700 . 3.900 2.268 1.944 2.743 . 0 0 "[ . 1 . 2]" 1
889 1 63 SER HA 1 66 LYS H 5.000 . 5.200 4.747 3.884 5.242 0.042 18 0 "[ . 1 . 2]" 1
890 1 63 SER QB 1 64 LEU H 3.300 . 4.500 2.824 2.240 3.562 . 0 0 "[ . 1 . 2]" 1
891 1 63 SER QB 1 65 LEU H 5.000 . 6.200 4.966 4.546 5.468 . 0 0 "[ . 1 . 2]" 1
892 1 64 LEU H 1 64 LEU HB2 2.700 . 2.900 2.069 1.951 2.236 . 0 0 "[ . 1 . 2]" 1
893 1 64 LEU H 1 64 LEU MD1 5.000 . 6.700 3.291 2.457 3.750 . 0 0 "[ . 1 . 2]" 1
894 1 64 LEU H 1 64 LEU MD2 5.000 . 6.700 4.053 3.725 4.324 . 0 0 "[ . 1 . 2]" 1
895 1 64 LEU H 1 64 LEU HG 2.700 . 4.400 3.032 2.390 3.876 . 0 0 "[ . 1 . 2]" 1
896 1 64 LEU H 1 65 LEU H 2.700 . 3.100 2.645 2.381 2.914 . 0 0 "[ . 1 . 2]" 1
897 1 64 LEU HA 1 64 LEU MD2 2.700 . 4.200 2.404 1.926 3.522 . 0 0 "[ . 1 . 2]" 1
898 1 64 LEU HA 1 64 LEU HG 2.700 . 4.200 2.369 1.960 2.686 . 0 0 "[ . 1 . 2]" 1
899 1 64 LEU HB2 1 65 LEU H 3.300 . 3.500 2.679 2.313 2.909 . 0 0 "[ . 1 . 2]" 1
900 1 64 LEU HB3 1 65 LEU H 5.000 . 5.200 3.076 2.523 3.560 . 0 0 "[ . 1 . 2]" 1
901 1 64 LEU MD1 1 64 LEU MD2 2.700 . 5.700 1.996 1.856 2.081 . 0 0 "[ . 1 . 2]" 1
902 1 64 LEU MD1 1 65 LEU H 5.000 . 6.700 4.411 4.112 4.752 . 0 0 "[ . 1 . 2]" 1
903 1 64 LEU HG 1 65 LEU H 5.000 . 6.700 4.664 4.400 4.888 . 0 0 "[ . 1 . 2]" 1
904 1 65 LEU H 1 65 LEU HA 2.700 . 2.900 2.876 2.803 2.948 0.048 2 0 "[ . 1 . 2]" 1
905 1 65 LEU H 1 65 LEU QB 2.700 . 3.900 2.136 1.978 2.350 . 0 0 "[ . 1 . 2]" 1
906 1 65 LEU H 1 65 LEU MD1 3.300 . 5.000 3.793 3.606 3.979 . 0 0 "[ . 1 . 2]" 1
907 1 65 LEU H 1 65 LEU MD2 5.000 . 6.700 3.452 2.167 4.007 . 0 0 "[ . 1 . 2]" 1
908 1 65 LEU H 1 65 LEU HG 2.700 . 4.400 2.788 2.132 3.968 . 0 0 "[ . 1 . 2]" 1
909 1 65 LEU HA 1 65 LEU MD2 2.700 . 4.200 1.937 1.857 2.168 . 0 0 "[ . 1 . 2]" 1
910 1 65 LEU HA 1 66 LYS H 3.300 . 3.500 3.144 2.606 3.567 0.067 15 0 "[ . 1 . 2]" 1
911 1 65 LEU MD2 1 66 LYS H 5.000 . 6.700 4.239 4.063 4.452 . 0 0 "[ . 1 . 2]" 1
912 1 66 LYS H 1 66 LYS HA 2.700 . 2.900 2.607 2.357 2.972 0.072 9 0 "[ . 1 . 2]" 1
913 1 66 LYS H 1 66 LYS QB 2.700 . 3.900 2.747 2.073 3.280 . 0 0 "[ . 1 . 2]" 1
914 1 66 LYS HA 1 66 LYS QD 3.300 . 4.800 3.375 1.960 4.235 . 0 0 "[ . 1 . 2]" 1
915 1 66 LYS HA 1 66 LYS QG 3.300 . 4.800 2.225 1.919 3.310 . 0 0 "[ . 1 . 2]" 1
916 1 67 THR H 1 67 THR HA 2.700 . 2.900 2.942 2.845 2.988 0.088 19 0 "[ . 1 . 2]" 1
917 1 67 THR H 1 67 THR HB 2.700 . 2.900 2.763 2.356 2.988 0.088 6 0 "[ . 1 . 2]" 1
918 1 67 THR HA 1 67 THR MG 3.300 . 4.800 2.398 2.007 3.187 . 0 0 "[ . 1 . 2]" 1
919 1 67 THR HA 1 68 PRO QD 2.700 . 4.200 2.354 1.963 3.545 . 0 0 "[ . 1 . 2]" 1
920 1 67 THR HB 1 68 PRO QD 5.000 . 6.500 3.691 1.815 4.338 . 0 0 "[ . 1 . 2]" 1
921 1 67 THR HB 1 68 PRO QG 5.000 . 6.500 5.401 3.745 5.919 . 0 0 "[ . 1 . 2]" 1
922 1 67 THR MG 1 68 PRO QD 3.300 . 6.300 3.151 1.795 3.967 0.005 1 0 "[ . 1 . 2]" 1
923 1 68 PRO HA 1 68 PRO QD 3.300 . 4.800 3.418 3.371 3.477 . 0 0 "[ . 1 . 2]" 1
924 1 69 LYS H 1 69 LYS HA 2.700 . 2.900 2.928 2.847 2.990 0.090 19 0 "[ . 1 . 2]" 1
925 1 69 LYS H 1 69 LYS QB 2.700 . 3.900 2.597 1.945 3.245 . 0 0 "[ . 1 . 2]" 1
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