NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425575 |
2glw   |
7116 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2glw
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 948
_Distance_constraint_stats_list.Viol_count 1407
_Distance_constraint_stats_list.Viol_total 2301.917
_Distance_constraint_stats_list.Viol_max 2.121
_Distance_constraint_stats_list.Viol_rms 0.0694
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0744
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.152 0.152 20 0 "[ . 1 . 2 ]"
1 2 ASP 0.152 0.152 20 0 "[ . 1 . 2 ]"
1 3 VAL 3.071 0.155 20 0 "[ . 1 . 2 ]"
1 4 LEU 46.136 2.121 1 22 [+**-******************]
1 5 ALA 0.101 0.018 21 0 "[ . 1 . 2 ]"
1 6 LYS 1.180 0.075 1 0 "[ . 1 . 2 ]"
1 7 PHE 3.194 0.059 2 0 "[ . 1 . 2 ]"
1 8 HIS 2.199 0.117 9 0 "[ . 1 . 2 ]"
1 9 THR 0.771 0.046 1 0 "[ . 1 . 2 ]"
1 10 THR 1.287 0.064 14 0 "[ . 1 . 2 ]"
1 11 VAL 0.121 0.018 14 0 "[ . 1 . 2 ]"
1 12 HIS 0.536 0.020 17 0 "[ . 1 . 2 ]"
1 13 ARG 0.147 0.012 19 0 "[ . 1 . 2 ]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 GLY 0.648 0.032 17 0 "[ . 1 . 2 ]"
1 16 ARG 0.640 0.032 17 0 "[ . 1 . 2 ]"
1 17 ILE 0.281 0.035 18 0 "[ . 1 . 2 ]"
1 18 ILE 0.637 0.031 16 0 "[ . 1 . 2 ]"
1 19 ILE 0.634 0.047 17 0 "[ . 1 . 2 ]"
1 20 PRO 4.563 0.162 6 0 "[ . 1 . 2 ]"
1 21 ALA 4.583 0.115 21 0 "[ . 1 . 2 ]"
1 22 GLY 4.777 0.162 6 0 "[ . 1 . 2 ]"
1 23 THR 0.476 0.026 21 0 "[ . 1 . 2 ]"
1 24 ARG 2.908 0.115 21 0 "[ . 1 . 2 ]"
1 25 LYS 1.930 0.077 20 0 "[ . 1 . 2 ]"
1 26 PHE 3.069 0.100 10 0 "[ . 1 . 2 ]"
1 27 TYR 2.808 0.100 10 0 "[ . 1 . 2 ]"
1 28 GLY 0.661 0.034 4 0 "[ . 1 . 2 ]"
1 29 ILE 0.741 0.036 22 0 "[ . 1 . 2 ]"
1 30 GLU 1.008 0.073 11 0 "[ . 1 . 2 ]"
1 31 GLN 0.242 0.029 11 0 "[ . 1 . 2 ]"
1 32 GLY 0.700 0.030 21 0 "[ . 1 . 2 ]"
1 33 ASP 1.515 0.073 11 0 "[ . 1 . 2 ]"
1 34 PHE 3.275 0.143 19 0 "[ . 1 . 2 ]"
1 35 VAL 2.359 0.093 3 0 "[ . 1 . 2 ]"
1 36 GLU 3.360 0.107 1 0 "[ . 1 . 2 ]"
1 37 ILE 3.816 0.161 8 0 "[ . 1 . 2 ]"
1 38 LYS 0.770 0.037 2 0 "[ . 1 . 2 ]"
1 39 ILE 2.601 0.106 10 0 "[ . 1 . 2 ]"
1 40 VAL 0.981 0.059 4 0 "[ . 1 . 2 ]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 TYR 1.196 0.064 21 0 "[ . 1 . 2 ]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 GLU 0.071 0.014 21 0 "[ . 1 . 2 ]"
1 47 PRO 0.358 0.032 9 0 "[ . 1 . 2 ]"
1 48 LYS 0.011 0.005 20 0 "[ . 1 . 2 ]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 GLY 2.728 0.106 10 0 "[ . 1 . 2 ]"
1 51 THR 0.657 0.053 15 0 "[ . 1 . 2 ]"
1 52 PHE 0.477 0.041 22 0 "[ . 1 . 2 ]"
1 53 THR 0.052 0.010 16 0 "[ . 1 . 2 ]"
1 54 ALA 1.863 0.093 3 0 "[ . 1 . 2 ]"
1 55 ARG 0.193 0.026 19 0 "[ . 1 . 2 ]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.796 0.050 9 0 "[ . 1 . 2 ]"
1 58 GLU 0.554 0.050 9 0 "[ . 1 . 2 ]"
1 59 GLN 0.894 0.055 2 0 "[ . 1 . 2 ]"
1 60 GLY 0.894 0.055 2 0 "[ . 1 . 2 ]"
1 61 SER 0.634 0.047 17 0 "[ . 1 . 2 ]"
1 62 VAL 0.858 0.031 22 0 "[ . 1 . 2 ]"
1 63 ILE 0.281 0.035 18 0 "[ . 1 . 2 ]"
1 64 ILE 0.015 0.008 20 0 "[ . 1 . 2 ]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 LYS 1.646 0.082 22 0 "[ . 1 . 2 ]"
1 67 ALA 2.904 0.082 22 0 "[ . 1 . 2 ]"
1 68 LEU 1.586 0.063 2 0 "[ . 1 . 2 ]"
1 69 ARG 2.948 0.061 7 0 "[ . 1 . 2 ]"
1 70 ASP 1.975 0.061 7 0 "[ . 1 . 2 ]"
1 71 VAL 1.772 0.041 15 0 "[ . 1 . 2 ]"
1 72 ILE 1.837 0.053 3 0 "[ . 1 . 2 ]"
1 73 GLY 0.597 0.044 19 0 "[ . 1 . 2 ]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 LYS 0.655 0.082 5 0 "[ . 1 . 2 ]"
1 76 PRO 0.655 0.082 5 0 "[ . 1 . 2 ]"
1 77 GLY 0.389 0.020 17 0 "[ . 1 . 2 ]"
1 78 GLU 1.287 0.064 14 0 "[ . 1 . 2 ]"
1 79 VAL 0.121 0.018 14 0 "[ . 1 . 2 ]"
1 80 ILE 0.908 0.064 21 0 "[ . 1 . 2 ]"
1 81 GLU 3.609 0.117 9 0 "[ . 1 . 2 ]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 LEU 2.448 0.075 1 0 "[ . 1 . 2 ]"
1 84 LEU 2.098 0.107 1 0 "[ . 1 . 2 ]"
1 85 LEU 1.979 0.087 17 0 "[ . 1 . 2 ]"
1 86 GLY 49.474 2.121 1 22 [+**-******************]
1 87 HIS 0.028 0.008 2 0 "[ . 1 . 2 ]"
1 88 TYR 2.954 0.143 19 0 "[ . 1 . 2 ]"
1 89 LYS 0.095 0.017 16 0 "[ . 1 . 2 ]"
1 90 PRO 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 2 ASP H 1 2 ASP HA 2.700 2.700 7.700 2.929 2.910 2.992 . 0 0 "[ . 1 . 2 ]" 1
2 1 2 ASP H 1 2 ASP QB 0.000 . 3.500 2.309 2.296 2.334 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 VAL HA 1 3 VAL MG2 0.000 . 3.500 2.255 2.198 2.304 . 0 0 "[ . 1 . 2 ]" 1
4 1 3 VAL H 1 3 VAL HA 2.700 2.700 7.700 2.980 2.977 2.982 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 VAL H 1 3 VAL HB 0.000 . 2.700 2.837 2.820 2.855 0.155 20 0 "[ . 1 . 2 ]" 1
6 1 3 VAL H 1 3 VAL MG1 0.000 . 4.000 2.274 2.199 2.329 . 0 0 "[ . 1 . 2 ]" 1
7 1 3 VAL H 1 3 VAL MG2 0.000 . 4.800 3.903 3.883 3.912 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 LEU HA 1 4 LEU QD 0.000 . 3.500 2.124 2.114 2.132 . 0 0 "[ . 1 . 2 ]" 1
9 1 4 LEU H 1 4 LEU HA 2.700 2.700 7.700 2.941 2.934 2.951 . 0 0 "[ . 1 . 2 ]" 1
10 1 4 LEU H 1 4 LEU HB3 0.000 . 4.000 3.587 3.581 3.598 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 LEU H 1 4 LEU HB2 0.000 . 2.700 2.504 2.484 2.524 . 0 0 "[ . 1 . 2 ]" 1
12 1 4 LEU H 1 4 LEU QD 0.000 . 4.800 2.867 2.817 2.909 . 0 0 "[ . 1 . 2 ]" 1
13 1 4 LEU H 1 4 LEU HG 0.000 . 4.000 2.086 2.040 2.119 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 ALA H 1 5 ALA HA 2.700 2.700 7.700 2.879 2.864 2.887 . 0 0 "[ . 1 . 2 ]" 1
15 1 5 ALA H 1 5 ALA MB 0.000 . 3.500 2.830 2.818 2.855 . 0 0 "[ . 1 . 2 ]" 1
16 1 6 LYS H 1 6 LYS HA 2.700 2.700 7.700 3.003 2.998 3.007 . 0 0 "[ . 1 . 2 ]" 1
17 1 7 PHE H 1 7 PHE HA 2.700 2.700 7.700 2.970 2.966 2.975 . 0 0 "[ . 1 . 2 ]" 1
18 1 7 PHE H 1 7 PHE HB3 0.000 . 3.200 3.250 3.237 3.259 0.059 2 0 "[ . 1 . 2 ]" 1
19 1 7 PHE H 1 7 PHE HB2 0.000 . 4.000 3.908 3.888 3.922 . 0 0 "[ . 1 . 2 ]" 1
20 1 8 HIS H 1 8 HIS HA 2.700 2.700 7.700 3.005 3.003 3.007 . 0 0 "[ . 1 . 2 ]" 1
21 1 9 THR H 1 9 THR HA 2.700 2.700 7.700 2.955 2.952 2.957 . 0 0 "[ . 1 . 2 ]" 1
22 1 9 THR H 1 9 THR HB 3.200 3.200 8.200 3.243 3.235 3.251 . 0 0 "[ . 1 . 2 ]" 1
23 1 9 THR H 1 9 THR MG 0.000 . 3.500 2.378 2.359 2.404 . 0 0 "[ . 1 . 2 ]" 1
24 1 10 THR H 1 10 THR HA 2.700 2.700 7.700 2.993 2.991 2.996 . 0 0 "[ . 1 . 2 ]" 1
25 1 10 THR H 1 10 THR HB 0.000 . 3.200 2.785 2.765 2.818 . 0 0 "[ . 1 . 2 ]" 1
26 1 10 THR H 1 10 THR MG 0.000 . 4.000 2.256 2.227 2.274 . 0 0 "[ . 1 . 2 ]" 1
27 1 11 VAL H 1 11 VAL HA 2.700 2.700 7.700 2.916 2.912 2.920 . 0 0 "[ . 1 . 2 ]" 1
28 1 11 VAL H 1 11 VAL HB 0.000 . 2.700 2.419 2.413 2.433 . 0 0 "[ . 1 . 2 ]" 1
29 1 11 VAL H 1 11 VAL MG2 0.000 . 4.000 2.272 2.244 2.287 . 0 0 "[ . 1 . 2 ]" 1
30 1 11 VAL H 1 11 VAL MG1 0.000 . 4.800 3.731 3.730 3.735 . 0 0 "[ . 1 . 2 ]" 1
31 1 12 HIS H 1 12 HIS HA 2.700 2.700 7.700 2.998 2.997 2.999 . 0 0 "[ . 1 . 2 ]" 1
32 1 12 HIS H 1 12 HIS HB3 0.000 . 4.000 3.583 3.570 3.604 . 0 0 "[ . 1 . 2 ]" 1
33 1 12 HIS H 1 12 HIS HB2 0.000 . 3.200 2.356 2.336 2.389 . 0 0 "[ . 1 . 2 ]" 1
34 1 13 ARG H 1 13 ARG HA 2.700 2.700 7.700 2.758 2.747 2.763 . 0 0 "[ . 1 . 2 ]" 1
35 1 13 ARG H 1 13 ARG QB 0.000 . 3.500 2.343 2.094 2.373 . 0 0 "[ . 1 . 2 ]" 1
36 1 13 ARG H 1 13 ARG QD 0.000 . 4.800 3.784 3.481 4.295 . 0 0 "[ . 1 . 2 ]" 1
37 1 13 ARG H 1 13 ARG QG 0.000 . 4.800 2.148 1.973 3.854 . 0 0 "[ . 1 . 2 ]" 1
38 1 14 ILE H 1 14 ILE HA 0.000 . 2.700 2.349 2.348 2.351 . 0 0 "[ . 1 . 2 ]" 1
39 1 14 ILE H 1 14 ILE HB 3.200 3.200 8.200 3.650 3.642 3.661 . 0 0 "[ . 1 . 2 ]" 1
40 1 14 ILE H 1 14 ILE QG 0.000 . 4.000 2.606 2.592 2.635 . 0 0 "[ . 1 . 2 ]" 1
41 1 14 ILE H 1 14 ILE MG 0.000 . 4.800 4.013 4.011 4.016 . 0 0 "[ . 1 . 2 ]" 1
42 1 16 ARG H 1 16 ARG HA 2.700 2.700 7.700 2.931 2.927 2.936 . 0 0 "[ . 1 . 2 ]" 1
43 1 16 ARG H 1 16 ARG QB 0.000 . 3.500 2.182 2.167 2.190 . 0 0 "[ . 1 . 2 ]" 1
44 1 17 ILE H 1 17 ILE HA 2.700 2.700 7.700 2.984 2.980 2.987 . 0 0 "[ . 1 . 2 ]" 1
45 1 17 ILE H 1 17 ILE HB 0.000 . 4.000 3.847 3.834 3.862 . 0 0 "[ . 1 . 2 ]" 1
46 1 17 ILE H 1 17 ILE QG 0.000 . 4.000 2.237 2.212 2.275 . 0 0 "[ . 1 . 2 ]" 1
47 1 17 ILE H 1 17 ILE MG 0.000 . 4.800 2.886 2.817 2.958 . 0 0 "[ . 1 . 2 ]" 1
48 1 18 ILE H 1 18 ILE HA 2.700 2.700 7.700 3.005 3.004 3.006 . 0 0 "[ . 1 . 2 ]" 1
49 1 18 ILE H 1 18 ILE HB 0.000 . 3.200 2.584 2.571 2.597 . 0 0 "[ . 1 . 2 ]" 1
50 1 18 ILE H 1 18 ILE HG13 0.000 . 4.000 4.010 3.985 4.025 0.025 19 0 "[ . 1 . 2 ]" 1
51 1 18 ILE H 1 18 ILE HG12 0.000 . 4.000 2.632 2.603 2.650 . 0 0 "[ . 1 . 2 ]" 1
52 1 18 ILE H 1 18 ILE MG 0.000 . 4.800 3.848 3.844 3.853 . 0 0 "[ . 1 . 2 ]" 1
53 1 19 ILE H 1 19 ILE HA 2.700 2.700 7.700 2.949 2.947 2.951 . 0 0 "[ . 1 . 2 ]" 1
54 1 19 ILE H 1 19 ILE HB 0.000 . 3.200 2.412 2.393 2.422 . 0 0 "[ . 1 . 2 ]" 1
55 1 19 ILE H 1 19 ILE MD 0.000 . 5.800 3.670 3.649 3.694 . 0 0 "[ . 1 . 2 ]" 1
56 1 19 ILE H 1 19 ILE QG 0.000 . 4.000 2.150 2.132 2.179 . 0 0 "[ . 1 . 2 ]" 1
57 1 21 ALA H 1 21 ALA HA 2.700 2.700 7.700 2.830 2.827 2.832 . 0 0 "[ . 1 . 2 ]" 1
58 1 21 ALA H 1 21 ALA MB 0.000 . 3.500 2.098 1.999 2.169 . 0 0 "[ . 1 . 2 ]" 1
59 1 23 THR H 1 23 THR HA 2.700 2.700 7.700 2.893 2.891 2.898 . 0 0 "[ . 1 . 2 ]" 1
60 1 23 THR H 1 23 THR HB 0.000 . 3.200 2.452 2.409 2.469 . 0 0 "[ . 1 . 2 ]" 1
61 1 23 THR H 1 23 THR MG 0.000 . 4.800 3.727 3.724 3.730 . 0 0 "[ . 1 . 2 ]" 1
62 1 24 ARG HE 1 24 ARG HG3 0.000 . 3.200 2.211 2.204 2.220 . 0 0 "[ . 1 . 2 ]" 1
63 1 24 ARG HE 1 24 ARG HG2 0.000 . 3.200 2.762 2.757 2.768 . 0 0 "[ . 1 . 2 ]" 1
64 1 24 ARG H 1 24 ARG HA 2.700 2.700 7.700 2.863 2.851 2.870 . 0 0 "[ . 1 . 2 ]" 1
65 1 24 ARG H 1 24 ARG QB 0.000 . 3.500 2.667 2.630 2.694 . 0 0 "[ . 1 . 2 ]" 1
66 1 25 LYS H 1 25 LYS HA 2.700 2.700 7.700 2.865 2.859 2.878 . 0 0 "[ . 1 . 2 ]" 1
67 1 25 LYS H 1 25 LYS QB 0.000 . 3.500 2.176 2.166 2.324 . 0 0 "[ . 1 . 2 ]" 1
68 1 25 LYS H 1 25 LYS QG 0.000 . 4.800 3.854 2.061 3.989 . 0 0 "[ . 1 . 2 ]" 1
69 1 26 PHE H 1 26 PHE HA 2.700 2.700 7.700 2.841 2.831 2.855 . 0 0 "[ . 1 . 2 ]" 1
70 1 26 PHE H 1 26 PHE HB3 0.000 . 2.700 2.518 2.485 2.548 . 0 0 "[ . 1 . 2 ]" 1
71 1 26 PHE H 1 26 PHE HB2 0.000 . 2.700 2.382 2.366 2.403 . 0 0 "[ . 1 . 2 ]" 1
72 1 26 PHE H 1 26 PHE QD 0.000 . 4.800 4.160 4.156 4.166 . 0 0 "[ . 1 . 2 ]" 1
73 1 27 TYR H 1 27 TYR HA 2.700 2.700 7.700 2.945 2.932 2.953 . 0 0 "[ . 1 . 2 ]" 1
74 1 27 TYR HA 1 27 TYR HD1 2.700 2.700 4.000 3.733 3.590 3.779 . 0 0 "[ . 1 . 2 ]" 1
75 1 27 TYR H 1 27 TYR HB3 0.000 . 3.200 2.412 2.386 2.516 . 0 0 "[ . 1 . 2 ]" 1
76 1 27 TYR H 1 27 TYR HB2 0.000 . 2.700 2.484 2.346 2.514 . 0 0 "[ . 1 . 2 ]" 1
77 1 29 ILE HA 1 29 ILE HB 2.700 2.700 7.700 3.042 3.040 3.044 . 0 0 "[ . 1 . 2 ]" 1
78 1 29 ILE H 1 29 ILE HA 2.700 2.700 7.700 2.947 2.943 2.959 . 0 0 "[ . 1 . 2 ]" 1
79 1 29 ILE H 1 29 ILE HB 0.000 . 2.700 2.405 2.387 2.420 . 0 0 "[ . 1 . 2 ]" 1
80 1 29 ILE H 1 29 ILE MD 0.000 . 4.800 3.541 3.509 3.563 . 0 0 "[ . 1 . 2 ]" 1
81 1 30 GLU H 1 30 GLU HA 2.700 2.700 7.700 2.993 2.990 2.994 . 0 0 "[ . 1 . 2 ]" 1
82 1 31 GLN H 1 31 GLN HA 2.700 2.700 7.700 2.832 2.819 2.847 . 0 0 "[ . 1 . 2 ]" 1
83 1 31 GLN H 1 31 GLN QB 0.000 . 3.500 2.264 2.166 2.354 . 0 0 "[ . 1 . 2 ]" 1
84 1 31 GLN H 1 31 GLN QG 0.000 . 4.800 2.903 2.021 3.924 . 0 0 "[ . 1 . 2 ]" 1
85 1 33 ASP H 1 33 ASP HA 2.700 2.700 7.700 2.931 2.928 2.935 . 0 0 "[ . 1 . 2 ]" 1
86 1 33 ASP H 1 33 ASP QB 0.000 . 3.500 2.269 2.259 2.280 . 0 0 "[ . 1 . 2 ]" 1
87 1 34 PHE H 1 34 PHE HA 2.700 2.700 7.700 3.001 3.000 3.003 . 0 0 "[ . 1 . 2 ]" 1
88 1 34 PHE H 1 34 PHE HB3 0.000 . 4.000 3.635 3.625 3.641 . 0 0 "[ . 1 . 2 ]" 1
89 1 34 PHE H 1 34 PHE HB2 0.000 . 3.200 2.374 2.360 2.382 . 0 0 "[ . 1 . 2 ]" 1
90 1 35 VAL H 1 35 VAL HA 2.700 2.700 7.700 2.990 2.989 2.993 . 0 0 "[ . 1 . 2 ]" 1
91 1 35 VAL H 1 35 VAL HB 0.000 . 4.000 3.814 3.804 3.821 . 0 0 "[ . 1 . 2 ]" 1
92 1 35 VAL H 1 35 VAL MG1 0.000 . 4.000 2.854 2.821 2.936 . 0 0 "[ . 1 . 2 ]" 1
93 1 35 VAL H 1 35 VAL MG2 0.000 . 3.500 1.968 1.966 1.971 . 0 0 "[ . 1 . 2 ]" 1
94 1 36 GLU H 1 36 GLU HA 2.700 2.700 7.700 3.003 3.000 3.005 . 0 0 "[ . 1 . 2 ]" 1
95 1 36 GLU H 1 36 GLU QB 0.000 . 3.500 2.372 2.352 2.390 . 0 0 "[ . 1 . 2 ]" 1
96 1 36 GLU H 1 36 GLU QG 0.000 . 4.800 4.015 4.004 4.024 . 0 0 "[ . 1 . 2 ]" 1
97 1 37 ILE H 1 37 ILE HA 2.700 2.700 7.700 2.992 2.990 2.994 . 0 0 "[ . 1 . 2 ]" 1
98 1 37 ILE H 1 37 ILE HB 0.000 . 3.200 3.013 2.989 3.025 . 0 0 "[ . 1 . 2 ]" 1
99 1 37 ILE H 1 37 ILE QG 0.000 . 4.800 4.012 4.003 4.016 . 0 0 "[ . 1 . 2 ]" 1
100 1 37 ILE H 1 37 ILE MG 0.000 . 4.000 1.962 1.956 1.970 . 0 0 "[ . 1 . 2 ]" 1
101 1 38 LYS H 1 38 LYS HA 2.700 2.700 7.700 2.992 2.989 2.995 . 0 0 "[ . 1 . 2 ]" 1
102 1 38 LYS H 1 38 LYS QB 0.000 . 3.500 2.534 2.505 2.545 . 0 0 "[ . 1 . 2 ]" 1
103 1 39 ILE HA 1 39 ILE HB 0.000 . 2.700 2.506 2.503 2.511 . 0 0 "[ . 1 . 2 ]" 1
104 1 39 ILE HA 1 39 ILE MG 0.000 . 3.500 2.352 2.222 2.370 . 0 0 "[ . 1 . 2 ]" 1
105 1 39 ILE H 1 39 ILE HA 2.700 2.700 7.700 3.005 3.003 3.007 . 0 0 "[ . 1 . 2 ]" 1
106 1 39 ILE H 1 39 ILE HB 0.000 . 4.000 3.697 3.691 3.702 . 0 0 "[ . 1 . 2 ]" 1
107 1 39 ILE H 1 39 ILE MD 0.000 . 5.800 3.717 3.697 3.733 . 0 0 "[ . 1 . 2 ]" 1
108 1 39 ILE H 1 39 ILE QG 0.000 . 3.500 1.980 1.944 2.005 . 0 0 "[ . 1 . 2 ]" 1
109 1 40 VAL H 1 40 VAL HA 2.700 2.700 7.700 2.985 2.982 2.988 . 0 0 "[ . 1 . 2 ]" 1
110 1 40 VAL H 1 40 VAL HB 0.000 . 2.700 2.707 2.693 2.719 0.019 14 0 "[ . 1 . 2 ]" 1
111 1 40 VAL H 1 40 VAL MG1 0.000 . 4.800 3.898 3.888 3.904 . 0 0 "[ . 1 . 2 ]" 1
112 1 40 VAL H 1 40 VAL MG2 0.000 . 4.000 2.894 2.813 2.950 . 0 0 "[ . 1 . 2 ]" 1
113 1 42 TYR H 1 42 TYR HA 2.700 2.700 7.700 2.989 2.982 2.998 . 0 0 "[ . 1 . 2 ]" 1
114 1 42 TYR H 1 42 TYR QB 0.000 . 3.500 2.308 2.261 2.339 . 0 0 "[ . 1 . 2 ]" 1
115 1 43 GLU H 1 43 GLU HA 2.700 2.700 7.700 2.994 2.987 2.999 . 0 0 "[ . 1 . 2 ]" 1
116 1 43 GLU H 1 43 GLU QG 0.000 . 3.800 2.527 1.976 2.903 . 0 0 "[ . 1 . 2 ]" 1
117 1 44 GLY H 1 44 GLY HA3 2.700 2.700 7.700 2.853 2.848 2.859 . 0 0 "[ . 1 . 2 ]" 1
118 1 44 GLY H 1 44 GLY HA2 0.000 . 2.700 2.345 2.343 2.346 . 0 0 "[ . 1 . 2 ]" 1
119 1 45 GLU H 1 45 GLU HA 2.700 2.700 7.700 2.987 2.984 2.989 . 0 0 "[ . 1 . 2 ]" 1
120 1 45 GLU H 1 45 GLU QG 0.000 . 4.800 1.948 1.946 1.950 . 0 0 "[ . 1 . 2 ]" 1
121 1 46 GLU H 1 46 GLU HA 2.700 2.700 7.700 2.993 2.990 2.996 . 0 0 "[ . 1 . 2 ]" 1
122 1 46 GLU H 1 46 GLU QG 0.000 . 4.800 1.960 1.951 1.973 . 0 0 "[ . 1 . 2 ]" 1
123 1 48 LYS H 1 48 LYS HA 2.700 2.700 7.700 2.999 2.994 3.001 . 0 0 "[ . 1 . 2 ]" 1
124 1 48 LYS H 1 48 LYS QD 0.000 . 5.800 4.035 3.826 4.639 . 0 0 "[ . 1 . 2 ]" 1
125 1 48 LYS H 1 48 LYS QG 0.000 . 4.000 2.723 2.582 3.050 . 0 0 "[ . 1 . 2 ]" 1
126 1 49 GLU H 1 49 GLU HA 2.700 2.700 7.700 2.996 2.977 3.001 . 0 0 "[ . 1 . 2 ]" 1
127 1 49 GLU H 1 49 GLU QG 0.000 . 4.000 2.750 1.998 3.904 . 0 0 "[ . 1 . 2 ]" 1
128 1 50 GLY H 1 50 GLY HA3 0.000 . 2.700 2.735 2.730 2.743 0.043 9 0 "[ . 1 . 2 ]" 1
129 1 50 GLY H 1 50 GLY HA2 2.700 2.700 7.700 2.925 2.919 2.929 . 0 0 "[ . 1 . 2 ]" 1
130 1 51 THR H 1 51 THR HA 2.700 2.700 7.700 3.006 3.005 3.008 . 0 0 "[ . 1 . 2 ]" 1
131 1 51 THR H 1 51 THR HB 0.000 . 3.200 2.769 2.706 2.802 . 0 0 "[ . 1 . 2 ]" 1
132 1 52 PHE H 1 52 PHE HA 2.700 2.700 7.700 2.939 2.934 2.947 . 0 0 "[ . 1 . 2 ]" 1
133 1 53 THR H 1 53 THR HA 2.700 2.700 7.700 3.001 3.000 3.002 . 0 0 "[ . 1 . 2 ]" 1
134 1 53 THR H 1 53 THR HB 0.000 . 3.200 2.496 2.489 2.500 . 0 0 "[ . 1 . 2 ]" 1
135 1 54 ALA H 1 54 ALA HA 2.700 2.700 7.700 2.988 2.986 2.990 . 0 0 "[ . 1 . 2 ]" 1
136 1 55 ARG H 1 55 ARG HA 2.700 2.700 7.700 2.977 2.975 2.980 . 0 0 "[ . 1 . 2 ]" 1
137 1 55 ARG H 1 55 ARG QB 0.000 . 3.500 2.284 2.273 2.296 . 0 0 "[ . 1 . 2 ]" 1
138 1 55 ARG H 1 55 ARG QD 0.000 . 5.800 4.521 4.435 4.680 . 0 0 "[ . 1 . 2 ]" 1
139 1 56 VAL H 1 56 VAL HA 2.700 2.700 7.700 2.924 2.917 2.930 . 0 0 "[ . 1 . 2 ]" 1
140 1 56 VAL H 1 56 VAL HB 0.000 . 3.200 2.328 2.312 2.349 . 0 0 "[ . 1 . 2 ]" 1
141 1 56 VAL H 1 56 VAL MG2 0.000 . 3.500 2.223 2.136 2.260 . 0 0 "[ . 1 . 2 ]" 1
142 1 56 VAL H 1 56 VAL MG1 0.000 . 4.800 3.721 3.716 3.727 . 0 0 "[ . 1 . 2 ]" 1
143 1 58 GLU H 1 58 GLU HA 2.700 2.700 7.700 2.858 2.853 2.866 . 0 0 "[ . 1 . 2 ]" 1
144 1 58 GLU H 1 58 GLU QB 0.000 . 3.500 2.165 2.144 2.176 . 0 0 "[ . 1 . 2 ]" 1
145 1 59 GLN H 1 59 GLN HA 0.000 . 2.700 2.352 2.350 2.354 . 0 0 "[ . 1 . 2 ]" 1
146 1 59 GLN H 1 59 GLN QG 0.000 . 4.000 2.613 2.526 2.639 . 0 0 "[ . 1 . 2 ]" 1
147 1 61 SER H 1 61 SER HA 2.700 2.700 7.700 2.911 2.906 2.917 . 0 0 "[ . 1 . 2 ]" 1
148 1 61 SER H 1 61 SER QB 0.000 . 3.500 2.348 2.194 2.495 . 0 0 "[ . 1 . 2 ]" 1
149 1 62 VAL H 1 62 VAL HA 2.700 2.700 7.700 2.978 2.973 2.981 . 0 0 "[ . 1 . 2 ]" 1
150 1 62 VAL H 1 62 VAL HB 0.000 . 3.200 3.221 3.212 3.231 0.031 22 0 "[ . 1 . 2 ]" 1
151 1 62 VAL H 1 62 VAL MG1 0.000 . 4.800 2.122 2.076 2.152 . 0 0 "[ . 1 . 2 ]" 1
152 1 63 ILE H 1 63 ILE HA 2.700 2.700 7.700 2.995 2.991 2.998 . 0 0 "[ . 1 . 2 ]" 1
153 1 63 ILE H 1 63 ILE HB 0.000 . 3.200 2.477 2.462 2.491 . 0 0 "[ . 1 . 2 ]" 1
154 1 63 ILE H 1 63 ILE HG13 0.000 . 4.000 3.812 3.783 3.843 . 0 0 "[ . 1 . 2 ]" 1
155 1 63 ILE H 1 63 ILE HG12 0.000 . 4.000 2.425 2.367 2.466 . 0 0 "[ . 1 . 2 ]" 1
156 1 63 ILE H 1 63 ILE MG 0.000 . 4.800 3.793 3.787 3.798 . 0 0 "[ . 1 . 2 ]" 1
157 1 64 ILE HA 1 64 ILE QG 0.000 . 4.000 2.446 2.429 2.458 . 0 0 "[ . 1 . 2 ]" 1
158 1 64 ILE H 1 64 ILE HA 2.700 2.700 7.700 2.953 2.946 2.955 . 0 0 "[ . 1 . 2 ]" 1
159 1 64 ILE H 1 64 ILE HB 0.000 . 3.200 2.366 2.354 2.377 . 0 0 "[ . 1 . 2 ]" 1
160 1 64 ILE H 1 64 ILE MD 0.000 . 4.800 3.312 3.198 3.432 . 0 0 "[ . 1 . 2 ]" 1
161 1 64 ILE H 1 64 ILE QG 0.000 . 3.500 2.206 2.167 2.246 . 0 0 "[ . 1 . 2 ]" 1
162 1 66 LYS H 1 66 LYS HA 2.700 2.700 7.700 2.828 2.826 2.831 . 0 0 "[ . 1 . 2 ]" 1
163 1 66 LYS H 1 66 LYS QD 0.000 . 5.800 4.216 3.511 4.514 . 0 0 "[ . 1 . 2 ]" 1
164 1 66 LYS H 1 66 LYS QG 0.000 . 4.800 3.859 2.014 4.006 . 0 0 "[ . 1 . 2 ]" 1
165 1 67 ALA H 1 67 ALA HA 2.700 2.700 7.700 2.844 2.841 2.846 . 0 0 "[ . 1 . 2 ]" 1
166 1 67 ALA H 1 67 ALA MB 0.000 . 3.500 2.091 1.991 2.169 . 0 0 "[ . 1 . 2 ]" 1
167 1 68 LEU H 1 68 LEU HA 2.700 2.700 7.700 2.922 2.919 2.925 . 0 0 "[ . 1 . 2 ]" 1
168 1 68 LEU H 1 68 LEU QB 0.000 . 3.500 2.268 2.262 2.278 . 0 0 "[ . 1 . 2 ]" 1
169 1 68 LEU H 1 68 LEU MD1 0.000 . 5.800 3.639 3.629 3.649 . 0 0 "[ . 1 . 2 ]" 1
170 1 68 LEU H 1 68 LEU MD2 0.000 . 5.800 3.499 3.474 3.520 . 0 0 "[ . 1 . 2 ]" 1
171 1 68 LEU H 1 68 LEU HG 0.000 . 5.000 2.394 2.372 2.416 . 0 0 "[ . 1 . 2 ]" 1
172 1 69 ARG HE 1 69 ARG HG3 0.000 . 3.200 2.263 2.249 2.277 . 0 0 "[ . 1 . 2 ]" 1
173 1 69 ARG HE 1 69 ARG HG2 0.000 . 3.200 2.805 2.801 2.809 . 0 0 "[ . 1 . 2 ]" 1
174 1 69 ARG H 1 69 ARG HA 2.700 2.700 7.700 2.858 2.855 2.861 . 0 0 "[ . 1 . 2 ]" 1
175 1 69 ARG H 1 69 ARG QB 0.000 . 3.500 2.510 2.497 2.529 . 0 0 "[ . 1 . 2 ]" 1
176 1 69 ARG H 1 69 ARG QD 0.000 . 4.800 3.916 3.903 3.929 . 0 0 "[ . 1 . 2 ]" 1
177 1 69 ARG H 1 69 ARG QG 0.000 . 4.000 1.961 1.954 1.968 . 0 0 "[ . 1 . 2 ]" 1
178 1 70 ASP H 1 70 ASP HA 2.700 2.700 7.700 2.875 2.871 2.879 . 0 0 "[ . 1 . 2 ]" 1
179 1 70 ASP H 1 70 ASP QB 0.000 . 3.500 2.318 2.176 2.354 . 0 0 "[ . 1 . 2 ]" 1
180 1 71 VAL H 1 71 VAL HA 2.700 2.700 7.700 2.854 2.852 2.858 . 0 0 "[ . 1 . 2 ]" 1
181 1 71 VAL H 1 71 VAL HB 0.000 . 2.700 2.392 2.385 2.399 . 0 0 "[ . 1 . 2 ]" 1
182 1 71 VAL H 1 71 VAL MG2 0.000 . 4.000 1.986 1.969 2.027 . 0 0 "[ . 1 . 2 ]" 1
183 1 71 VAL H 1 71 VAL MG1 0.000 . 4.800 3.715 3.713 3.716 . 0 0 "[ . 1 . 2 ]" 1
184 1 72 ILE H 1 72 ILE HA 2.700 2.700 7.700 2.920 2.917 2.923 . 0 0 "[ . 1 . 2 ]" 1
185 1 72 ILE H 1 72 ILE HB 0.000 . 3.200 2.384 2.369 2.394 . 0 0 "[ . 1 . 2 ]" 1
186 1 72 ILE H 1 72 ILE MD 0.000 . 4.800 3.428 3.411 3.450 . 0 0 "[ . 1 . 2 ]" 1
187 1 72 ILE H 1 72 ILE QG 0.000 . 3.500 2.090 2.078 2.105 . 0 0 "[ . 1 . 2 ]" 1
188 1 72 ILE H 1 72 ILE MG 0.000 . 4.800 3.724 3.721 3.727 . 0 0 "[ . 1 . 2 ]" 1
189 1 74 ILE H 1 74 ILE HB 0.000 . 3.200 2.419 2.394 2.432 . 0 0 "[ . 1 . 2 ]" 1
190 1 74 ILE H 1 74 ILE MD 0.000 . 5.800 3.291 3.260 3.329 . 0 0 "[ . 1 . 2 ]" 1
191 1 75 LYS H 1 75 LYS HA 2.700 2.700 7.700 3.001 2.994 3.005 . 0 0 "[ . 1 . 2 ]" 1
192 1 75 LYS H 1 75 LYS QB 0.000 . 3.500 2.601 2.343 2.986 . 0 0 "[ . 1 . 2 ]" 1
193 1 75 LYS H 1 75 LYS QD 0.000 . 4.000 3.264 2.384 3.630 . 0 0 "[ . 1 . 2 ]" 1
194 1 75 LYS H 1 75 LYS QG 0.000 . 4.000 2.755 1.957 3.573 . 0 0 "[ . 1 . 2 ]" 1
195 1 78 GLU H 1 78 GLU HA 2.700 2.700 7.700 2.974 2.971 2.977 . 0 0 "[ . 1 . 2 ]" 1
196 1 78 GLU H 1 78 GLU QB 0.000 . 3.500 2.110 2.067 2.144 . 0 0 "[ . 1 . 2 ]" 1
197 1 78 GLU H 1 78 GLU QG 0.000 . 4.000 3.151 3.034 3.566 . 0 0 "[ . 1 . 2 ]" 1
198 1 79 VAL H 1 79 VAL HA 2.700 2.700 7.700 2.946 2.943 2.950 . 0 0 "[ . 1 . 2 ]" 1
199 1 79 VAL H 1 79 VAL HB 0.000 . 3.200 2.606 2.592 2.621 . 0 0 "[ . 1 . 2 ]" 1
200 1 79 VAL H 1 79 VAL MG1 0.000 . 4.000 1.937 1.936 1.939 . 0 0 "[ . 1 . 2 ]" 1
201 1 79 VAL H 1 79 VAL MG2 0.000 . 4.800 3.737 3.732 3.755 . 0 0 "[ . 1 . 2 ]" 1
202 1 80 ILE H 1 80 ILE HA 2.700 2.700 7.700 2.995 2.991 2.997 . 0 0 "[ . 1 . 2 ]" 1
203 1 80 ILE H 1 80 ILE HB 3.200 3.200 8.200 3.739 3.714 3.760 . 0 0 "[ . 1 . 2 ]" 1
204 1 80 ILE H 1 80 ILE MD 0.000 . 5.800 3.735 3.701 3.764 . 0 0 "[ . 1 . 2 ]" 1
205 1 80 ILE H 1 80 ILE QG 0.000 . 3.500 1.984 1.955 2.011 . 0 0 "[ . 1 . 2 ]" 1
206 1 80 ILE H 1 80 ILE MG 0.000 . 4.000 2.759 2.686 2.827 . 0 0 "[ . 1 . 2 ]" 1
207 1 81 GLU H 1 81 GLU HA 2.700 2.700 7.700 2.983 2.980 2.986 . 0 0 "[ . 1 . 2 ]" 1
208 1 81 GLU H 1 81 GLU QB 0.000 . 3.500 2.280 2.263 2.299 . 0 0 "[ . 1 . 2 ]" 1
209 1 81 GLU H 1 81 GLU QG 0.000 . 4.800 3.971 3.958 3.980 . 0 0 "[ . 1 . 2 ]" 1
210 1 82 VAL H 1 82 VAL HA 2.700 2.700 7.700 2.984 2.981 2.987 . 0 0 "[ . 1 . 2 ]" 1
211 1 82 VAL H 1 82 VAL HB 0.000 . 3.200 2.391 2.384 2.398 . 0 0 "[ . 1 . 2 ]" 1
212 1 82 VAL H 1 82 VAL MG1 0.000 . 4.800 3.752 3.748 3.757 . 0 0 "[ . 1 . 2 ]" 1
213 1 82 VAL H 1 82 VAL MG2 0.000 . 4.000 2.538 2.502 2.558 . 0 0 "[ . 1 . 2 ]" 1
214 1 83 LEU H 1 83 LEU HA 2.700 2.700 7.700 3.004 3.000 3.007 . 0 0 "[ . 1 . 2 ]" 1
215 1 83 LEU H 1 83 LEU HB3 0.000 . 4.000 3.717 3.701 3.736 . 0 0 "[ . 1 . 2 ]" 1
216 1 83 LEU H 1 83 LEU HB2 0.000 . 3.200 2.605 2.580 2.635 . 0 0 "[ . 1 . 2 ]" 1
217 1 83 LEU H 1 83 LEU MD2 0.000 . 4.000 3.386 3.367 3.404 . 0 0 "[ . 1 . 2 ]" 1
218 1 83 LEU H 1 83 LEU HG 0.000 . 5.000 2.423 2.384 2.446 . 0 0 "[ . 1 . 2 ]" 1
219 1 84 LEU H 1 84 LEU HA 2.700 2.700 7.700 2.954 2.951 2.957 . 0 0 "[ . 1 . 2 ]" 1
220 1 84 LEU H 1 84 LEU HB3 0.000 . 4.000 3.474 3.463 3.489 . 0 0 "[ . 1 . 2 ]" 1
221 1 84 LEU H 1 84 LEU HB2 0.000 . 3.200 2.130 2.114 2.147 . 0 0 "[ . 1 . 2 ]" 1
222 1 84 LEU H 1 84 LEU MD1 0.000 . 4.800 3.382 3.353 3.415 . 0 0 "[ . 1 . 2 ]" 1
223 1 84 LEU H 1 84 LEU HG 0.000 . 5.000 3.042 2.985 3.081 . 0 0 "[ . 1 . 2 ]" 1
224 1 85 LEU H 1 85 LEU QB 0.000 . 3.500 2.171 2.124 2.284 . 0 0 "[ . 1 . 2 ]" 1
225 1 87 HIS H 1 87 HIS HA 2.700 2.700 7.700 2.988 2.976 2.992 . 0 0 "[ . 1 . 2 ]" 1
226 1 87 HIS H 1 87 HIS QB 0.000 . 3.500 3.067 3.042 3.120 . 0 0 "[ . 1 . 2 ]" 1
227 1 88 TYR H 1 88 TYR HA 2.700 2.700 7.700 2.986 2.979 3.000 . 0 0 "[ . 1 . 2 ]" 1
228 1 88 TYR H 1 88 TYR HB3 0.000 . 4.000 3.795 3.758 3.816 . 0 0 "[ . 1 . 2 ]" 1
229 1 88 TYR H 1 88 TYR HB2 0.000 . 3.200 2.635 2.573 2.688 . 0 0 "[ . 1 . 2 ]" 1
230 1 89 LYS H 1 89 LYS HA 2.700 2.700 7.700 2.995 2.940 3.005 . 0 0 "[ . 1 . 2 ]" 1
231 1 89 LYS H 1 89 LYS QB 0.000 . 3.500 2.476 2.230 2.936 . 0 0 "[ . 1 . 2 ]" 1
232 1 1 MET HA 1 2 ASP H 0.000 . 2.700 2.567 2.208 2.852 0.152 20 0 "[ . 1 . 2 ]" 1
233 1 1 MET QB 1 2 ASP H 0.000 . 4.800 2.586 1.982 4.030 . 0 0 "[ . 1 . 2 ]" 1
234 1 1 MET QG 1 2 ASP H 0.000 . 4.000 3.553 3.128 3.644 . 0 0 "[ . 1 . 2 ]" 1
235 1 2 ASP H 1 3 VAL H 3.200 3.200 8.200 4.643 4.578 4.668 . 0 0 "[ . 1 . 2 ]" 1
236 1 2 ASP HA 1 3 VAL H 0.000 . 2.700 2.271 2.246 2.314 . 0 0 "[ . 1 . 2 ]" 1
237 1 2 ASP QB 1 3 VAL H 0.000 . 4.800 3.058 2.904 3.569 . 0 0 "[ . 1 . 2 ]" 1
238 1 3 VAL H 1 4 LEU QD 0.000 . 5.500 4.155 4.148 4.163 . 0 0 "[ . 1 . 2 ]" 1
239 1 3 VAL H 1 4 LEU H 3.200 3.200 8.200 4.384 4.352 4.417 . 0 0 "[ . 1 . 2 ]" 1
240 1 3 VAL HA 1 4 LEU HG 0.000 . 4.000 3.519 3.407 3.581 . 0 0 "[ . 1 . 2 ]" 1
241 1 3 VAL HA 1 4 LEU H 0.000 . 2.700 2.235 2.221 2.252 . 0 0 "[ . 1 . 2 ]" 1
242 1 3 VAL HB 1 4 LEU H 3.200 3.200 5.000 4.384 4.319 4.428 . 0 0 "[ . 1 . 2 ]" 1
243 1 3 VAL MG2 1 4 LEU H 0.000 . 4.000 2.667 2.439 2.824 . 0 0 "[ . 1 . 2 ]" 1
244 1 3 VAL MG1 1 4 LEU H 0.000 . 5.800 3.696 3.643 3.724 . 0 0 "[ . 1 . 2 ]" 1
245 1 4 LEU H 1 5 ALA H 0.000 . 2.700 2.408 2.362 2.451 . 0 0 "[ . 1 . 2 ]" 1
246 1 4 LEU HA 1 5 ALA H 3.200 3.200 8.200 3.483 3.477 3.492 . 0 0 "[ . 1 . 2 ]" 1
247 1 5 ALA H 1 6 LYS H 3.200 3.200 8.200 4.291 4.257 4.323 . 0 0 "[ . 1 . 2 ]" 1
248 1 4 LEU QB 1 5 ALA MB 0.000 . 6.600 3.169 3.135 3.189 . 0 0 "[ . 1 . 2 ]" 1
249 1 5 ALA HA 1 6 LYS H 0.000 . 2.700 2.348 2.334 2.370 . 0 0 "[ . 1 . 2 ]" 1
250 1 5 ALA MB 1 6 LYS H 0.000 . 5.800 2.852 2.791 2.904 . 0 0 "[ . 1 . 2 ]" 1
251 1 6 LYS H 1 7 PHE H 3.200 3.200 8.200 4.307 4.281 4.320 . 0 0 "[ . 1 . 2 ]" 1
252 1 6 LYS HA 1 7 PHE H 0.000 . 2.700 2.223 2.195 2.231 . 0 0 "[ . 1 . 2 ]" 1
253 1 6 LYS QB 1 7 PHE H 0.000 . 4.800 3.861 3.829 3.880 . 0 0 "[ . 1 . 2 ]" 1
254 1 6 LYS QG 1 7 PHE H 0.000 . 4.800 2.918 2.806 2.985 . 0 0 "[ . 1 . 2 ]" 1
255 1 6 LYS QD 1 7 PHE H 0.000 . 5.800 4.917 4.736 5.024 . 0 0 "[ . 1 . 2 ]" 1
256 1 7 PHE H 1 8 HIS H 3.200 3.200 8.200 4.450 4.444 4.456 . 0 0 "[ . 1 . 2 ]" 1
257 1 7 PHE HA 1 8 HIS H 0.000 . 2.700 2.412 2.402 2.429 . 0 0 "[ . 1 . 2 ]" 1
258 1 7 PHE HB3 1 8 HIS H 0.000 . 4.000 3.963 3.946 3.979 . 0 0 "[ . 1 . 2 ]" 1
259 1 7 PHE HB2 1 8 HIS H 0.000 . 3.200 2.688 2.663 2.707 . 0 0 "[ . 1 . 2 ]" 1
260 1 7 PHE QD 1 8 HIS H 0.000 . 5.500 3.665 3.635 3.689 . 0 0 "[ . 1 . 2 ]" 1
261 1 8 HIS H 1 9 THR H 3.200 3.200 8.200 4.511 4.502 4.518 . 0 0 "[ . 1 . 2 ]" 1
262 1 8 HIS HA 1 9 THR H 0.000 . 2.700 2.230 2.222 2.235 . 0 0 "[ . 1 . 2 ]" 1
263 1 8 HIS QB 1 9 THR H 0.000 . 4.000 3.121 3.106 3.137 . 0 0 "[ . 1 . 2 ]" 1
264 1 9 THR H 1 10 THR H 3.200 3.200 8.200 4.428 4.426 4.431 . 0 0 "[ . 1 . 2 ]" 1
265 1 9 THR HA 1 10 THR H 0.000 . 2.700 2.447 2.441 2.452 . 0 0 "[ . 1 . 2 ]" 1
266 1 9 THR HB 1 10 THR H 3.200 3.200 5.000 4.055 4.047 4.063 . 0 0 "[ . 1 . 2 ]" 1
267 1 9 THR MG 1 10 THR H 0.000 . 4.000 3.396 3.394 3.398 . 0 0 "[ . 1 . 2 ]" 1
268 1 10 THR H 1 11 VAL H 3.200 3.200 8.200 4.554 4.545 4.561 . 0 0 "[ . 1 . 2 ]" 1
269 1 10 THR HA 1 11 VAL H 0.000 . 2.700 2.374 2.361 2.390 . 0 0 "[ . 1 . 2 ]" 1
270 1 10 THR HB 1 11 VAL H 3.200 3.200 5.000 4.089 4.066 4.110 . 0 0 "[ . 1 . 2 ]" 1
271 1 10 THR MG 1 11 VAL H 0.000 . 4.800 3.407 3.371 3.428 . 0 0 "[ . 1 . 2 ]" 1
272 1 11 VAL H 1 12 HIS H 3.200 3.200 8.200 4.607 4.595 4.622 . 0 0 "[ . 1 . 2 ]" 1
273 1 11 VAL HA 1 12 HIS H 0.000 . 2.700 2.202 2.192 2.213 . 0 0 "[ . 1 . 2 ]" 1
274 1 11 VAL MG2 1 12 HIS H 0.000 . 4.800 4.052 4.046 4.060 . 0 0 "[ . 1 . 2 ]" 1
275 1 11 VAL MG1 1 12 HIS H 0.000 . 4.000 2.541 2.302 2.650 . 0 0 "[ . 1 . 2 ]" 1
276 1 12 HIS H 1 13 ARG H 3.200 3.200 8.200 4.482 4.473 4.487 . 0 0 "[ . 1 . 2 ]" 1
277 1 12 HIS HA 1 13 ARG H 0.000 . 2.700 2.483 2.480 2.487 . 0 0 "[ . 1 . 2 ]" 1
278 1 12 HIS HB2 1 13 ARG H 3.200 3.200 5.000 3.773 3.766 3.784 . 0 0 "[ . 1 . 2 ]" 1
279 1 12 HIS HB3 1 13 ARG H 0.000 . 3.200 2.392 2.386 2.399 . 0 0 "[ . 1 . 2 ]" 1
280 1 12 HIS HD2 1 13 ARG H 0.000 . 4.000 4.007 4.001 4.012 0.012 19 0 "[ . 1 . 2 ]" 1
281 1 13 ARG H 1 14 ILE H 3.200 3.200 8.200 4.697 4.693 4.700 . 0 0 "[ . 1 . 2 ]" 1
282 1 12 HIS HB3 1 13 ARG QB 0.000 . 4.000 3.656 3.650 3.668 . 0 0 "[ . 1 . 2 ]" 1
283 1 13 ARG HA 1 14 ILE H 0.000 . 2.700 2.302 2.293 2.310 . 0 0 "[ . 1 . 2 ]" 1
284 1 13 ARG QB 1 14 ILE H 0.000 . 4.000 2.885 2.809 3.496 . 0 0 "[ . 1 . 2 ]" 1
285 1 14 ILE H 1 15 GLY H 0.000 . 3.200 2.832 2.821 2.840 . 0 0 "[ . 1 . 2 ]" 1
286 1 14 ILE HA 1 15 GLY H 2.700 2.700 7.700 3.301 3.296 3.306 . 0 0 "[ . 1 . 2 ]" 1
287 1 14 ILE HB 1 15 GLY H 3.200 3.200 5.000 3.728 3.717 3.738 . 0 0 "[ . 1 . 2 ]" 1
288 1 15 GLY H 1 16 ARG H 0.000 . 2.700 2.534 2.526 2.540 . 0 0 "[ . 1 . 2 ]" 1
289 1 15 GLY HA3 1 16 ARG H 3.200 3.200 8.200 3.458 3.455 3.462 . 0 0 "[ . 1 . 2 ]" 1
290 1 15 GLY HA2 1 16 ARG H 3.200 3.200 8.200 3.171 3.168 3.174 0.032 17 0 "[ . 1 . 2 ]" 1
291 1 16 ARG H 1 17 ILE H 3.200 3.200 8.200 4.626 4.618 4.632 . 0 0 "[ . 1 . 2 ]" 1
292 1 16 ARG HA 1 17 ILE H 0.000 . 2.700 2.257 2.245 2.269 . 0 0 "[ . 1 . 2 ]" 1
293 1 16 ARG QB 1 17 ILE H 0.000 . 4.800 3.664 3.627 3.698 . 0 0 "[ . 1 . 2 ]" 1
294 1 17 ILE H 1 18 ILE H 3.200 3.200 8.200 4.450 4.441 4.462 . 0 0 "[ . 1 . 2 ]" 1
295 1 17 ILE HA 1 18 ILE H 0.000 . 2.700 2.368 2.356 2.388 . 0 0 "[ . 1 . 2 ]" 1
296 1 17 ILE HB 1 18 ILE H 0.000 . 3.200 2.857 2.797 2.876 . 0 0 "[ . 1 . 2 ]" 1
297 1 17 ILE MG 1 18 ILE H 0.000 . 4.800 3.938 3.913 3.953 . 0 0 "[ . 1 . 2 ]" 1
298 1 18 ILE H 1 19 ILE H 3.200 3.200 8.200 4.396 4.386 4.406 . 0 0 "[ . 1 . 2 ]" 1
299 1 17 ILE HA 1 18 ILE MD 0.000 . 4.800 4.024 4.018 4.032 . 0 0 "[ . 1 . 2 ]" 1
300 1 18 ILE HA 1 19 ILE H 0.000 . 2.700 2.203 2.197 2.211 . 0 0 "[ . 1 . 2 ]" 1
301 1 18 ILE MG 1 19 ILE H 0.000 . 4.000 2.715 2.691 2.736 . 0 0 "[ . 1 . 2 ]" 1
302 1 19 ILE H 1 20 PRO QD 3.500 3.500 5.800 4.495 4.491 4.501 . 0 0 "[ . 1 . 2 ]" 1
303 1 19 ILE MG 1 20 PRO QD 0.000 . 4.800 1.938 1.872 1.974 . 0 0 "[ . 1 . 2 ]" 1
304 1 19 ILE HA 1 20 PRO HD3 0.000 . 2.700 2.651 2.645 2.660 . 0 0 "[ . 1 . 2 ]" 1
305 1 19 ILE HA 1 20 PRO HD2 0.000 . 2.700 2.136 2.122 2.164 . 0 0 "[ . 1 . 2 ]" 1
306 1 20 PRO HA 1 21 ALA H 0.000 . 2.700 2.253 2.248 2.258 . 0 0 "[ . 1 . 2 ]" 1
307 1 20 PRO HB2 1 21 ALA H 0.000 . 3.200 3.257 3.249 3.269 0.069 6 0 "[ . 1 . 2 ]" 1
308 1 20 PRO QG 1 21 ALA H 0.000 . 5.800 4.473 4.469 4.483 . 0 0 "[ . 1 . 2 ]" 1
309 1 21 ALA H 1 22 GLY H 0.000 . 2.700 2.747 2.739 2.753 0.053 8 0 "[ . 1 . 2 ]" 1
310 1 21 ALA HA 1 22 GLY H 3.200 3.200 8.200 3.519 3.517 3.522 . 0 0 "[ . 1 . 2 ]" 1
311 1 21 ALA MB 1 22 GLY H 0.000 . 4.000 2.782 2.742 2.852 . 0 0 "[ . 1 . 2 ]" 1
312 1 22 GLY H 1 23 THR H 0.000 . 2.700 2.719 2.710 2.726 0.026 21 0 "[ . 1 . 2 ]" 1
313 1 22 GLY HA3 1 23 THR H 2.700 2.700 7.700 2.801 2.786 2.816 . 0 0 "[ . 1 . 2 ]" 1
314 1 22 GLY HA2 1 23 THR H 3.200 3.200 8.200 3.571 3.565 3.575 . 0 0 "[ . 1 . 2 ]" 1
315 1 23 THR H 1 24 ARG H 0.000 . 2.700 2.625 2.618 2.628 . 0 0 "[ . 1 . 2 ]" 1
316 1 23 THR HA 1 24 ARG H 2.700 2.700 7.700 3.566 3.558 3.570 . 0 0 "[ . 1 . 2 ]" 1
317 1 23 THR HB 1 24 ARG H 0.000 . 2.700 2.615 2.573 2.651 . 0 0 "[ . 1 . 2 ]" 1
318 1 23 THR MG 1 24 ARG H 0.000 . 4.800 3.579 3.512 3.616 . 0 0 "[ . 1 . 2 ]" 1
319 1 24 ARG H 1 25 LYS H 0.000 . 2.700 2.721 2.700 2.766 0.066 10 0 "[ . 1 . 2 ]" 1
320 1 24 ARG HA 1 25 LYS H 2.700 2.700 7.700 3.546 3.536 3.563 . 0 0 "[ . 1 . 2 ]" 1
321 1 24 ARG QB 1 25 LYS H 0.000 . 4.000 2.421 2.373 2.444 . 0 0 "[ . 1 . 2 ]" 1
322 1 24 ARG QG 1 25 LYS H 0.000 . 4.800 3.630 3.581 3.692 . 0 0 "[ . 1 . 2 ]" 1
323 1 25 LYS H 1 26 PHE H 0.000 . 2.700 2.766 2.753 2.777 0.077 20 0 "[ . 1 . 2 ]" 1
324 1 25 LYS HA 1 26 PHE H 2.700 2.700 7.700 3.567 3.552 3.575 . 0 0 "[ . 1 . 2 ]" 1
325 1 25 LYS QB 1 26 PHE H 0.000 . 3.500 2.265 2.252 2.278 . 0 0 "[ . 1 . 2 ]" 1
326 1 25 LYS QG 1 26 PHE H 0.000 . 4.800 3.374 3.270 3.944 . 0 0 "[ . 1 . 2 ]" 1
327 1 25 LYS QD 1 26 PHE H 0.000 . 4.800 4.238 4.157 4.412 . 0 0 "[ . 1 . 2 ]" 1
328 1 26 PHE H 1 27 TYR H 0.000 . 2.700 2.771 2.713 2.800 0.100 10 0 "[ . 1 . 2 ]" 1
329 1 26 PHE HD2 1 27 TYR HA 0.000 . 4.000 3.605 3.414 3.774 . 0 0 "[ . 1 . 2 ]" 1
330 1 26 PHE HA 1 27 TYR H 2.700 2.700 7.700 3.544 3.532 3.548 . 0 0 "[ . 1 . 2 ]" 1
331 1 26 PHE HB3 1 27 TYR H 0.000 . 2.700 2.562 2.526 2.601 . 0 0 "[ . 1 . 2 ]" 1
332 1 27 TYR H 1 28 GLY H 0.000 . 2.700 2.495 2.461 2.540 . 0 0 "[ . 1 . 2 ]" 1
333 1 27 TYR HA 1 28 GLY H 2.700 2.700 7.700 3.480 3.478 3.483 . 0 0 "[ . 1 . 2 ]" 1
334 1 27 TYR HB3 1 28 GLY H 3.200 3.200 5.000 3.170 3.166 3.177 0.034 4 0 "[ . 1 . 2 ]" 1
335 1 27 TYR HB2 1 28 GLY H 3.200 3.200 5.000 4.159 4.085 4.174 . 0 0 "[ . 1 . 2 ]" 1
336 1 28 GLY H 1 29 ILE H 0.000 . 2.700 2.583 2.573 2.592 . 0 0 "[ . 1 . 2 ]" 1
337 1 28 GLY QA 1 29 ILE H 0.000 . 3.500 2.729 2.724 2.750 . 0 0 "[ . 1 . 2 ]" 1
338 1 29 ILE H 1 30 GLU H 3.200 3.200 8.200 4.538 4.520 4.557 . 0 0 "[ . 1 . 2 ]" 1
339 1 29 ILE HA 1 30 GLU H 0.000 . 2.700 2.172 2.165 2.181 . 0 0 "[ . 1 . 2 ]" 1
340 1 29 ILE HB 1 30 GLU H 3.200 3.200 5.000 4.235 4.192 4.272 . 0 0 "[ . 1 . 2 ]" 1
341 1 29 ILE QG 1 30 GLU H 0.000 . 4.800 4.190 4.148 4.240 . 0 0 "[ . 1 . 2 ]" 1
342 1 29 ILE MG 1 30 GLU H 0.000 . 4.000 2.611 2.493 2.669 . 0 0 "[ . 1 . 2 ]" 1
343 1 30 GLU H 1 31 GLN H 3.200 3.200 8.200 4.458 4.447 4.468 . 0 0 "[ . 1 . 2 ]" 1
344 1 30 GLU HA 1 31 GLN H 0.000 . 3.500 2.392 2.366 2.423 . 0 0 "[ . 1 . 2 ]" 1
345 1 30 GLU QB 1 31 GLN H 0.000 . 4.000 3.004 2.654 3.534 . 0 0 "[ . 1 . 2 ]" 1
346 1 30 GLU QG 1 31 GLN H 0.000 . 4.800 3.362 2.135 4.066 . 0 0 "[ . 1 . 2 ]" 1
347 1 31 GLN H 1 32 GLY H 3.200 3.200 8.200 4.657 4.644 4.669 . 0 0 "[ . 1 . 2 ]" 1
348 1 31 GLN HA 1 32 GLY H 0.000 . 2.700 2.226 2.211 2.236 . 0 0 "[ . 1 . 2 ]" 1
349 1 31 GLN QB 1 32 GLY H 0.000 . 4.000 3.366 3.112 3.663 . 0 0 "[ . 1 . 2 ]" 1
350 1 31 GLN QG 1 32 GLY H 0.000 . 4.800 3.328 2.480 4.036 . 0 0 "[ . 1 . 2 ]" 1
351 1 32 GLY H 1 33 ASP H 0.000 . 2.700 2.713 2.698 2.730 0.030 21 0 "[ . 1 . 2 ]" 1
352 1 32 GLY HA3 1 33 ASP H 3.200 3.200 8.200 3.190 3.183 3.205 0.017 1 0 "[ . 1 . 2 ]" 1
353 1 32 GLY HA2 1 33 ASP H 2.700 2.700 7.700 3.477 3.469 3.481 . 0 0 "[ . 1 . 2 ]" 1
354 1 33 ASP H 1 34 PHE H 3.200 3.200 8.200 4.680 4.670 4.688 . 0 0 "[ . 1 . 2 ]" 1
355 1 33 ASP HA 1 34 PHE H 0.000 . 2.700 2.384 2.364 2.408 . 0 0 "[ . 1 . 2 ]" 1
356 1 33 ASP QB 1 34 PHE H 0.000 . 3.500 2.720 2.642 2.767 . 0 0 "[ . 1 . 2 ]" 1
357 1 34 PHE H 1 35 VAL H 3.200 3.200 8.200 4.470 4.465 4.476 . 0 0 "[ . 1 . 2 ]" 1
358 1 34 PHE HA 1 35 VAL H 0.000 . 2.700 2.236 2.227 2.246 . 0 0 "[ . 1 . 2 ]" 1
359 1 34 PHE HB3 1 35 VAL H 0.000 . 3.200 3.219 3.204 3.228 0.028 19 0 "[ . 1 . 2 ]" 1
360 1 35 VAL H 1 36 GLU H 3.200 3.200 8.200 4.457 4.449 4.465 . 0 0 "[ . 1 . 2 ]" 1
361 1 35 VAL HA 1 36 GLU H 0.000 . 2.700 2.354 2.330 2.374 . 0 0 "[ . 1 . 2 ]" 1
362 1 35 VAL HB 1 36 GLU H 0.000 . 3.200 2.871 2.844 2.921 . 0 0 "[ . 1 . 2 ]" 1
363 1 35 VAL MG1 1 36 GLU H 0.000 . 4.800 3.913 3.895 3.926 . 0 0 "[ . 1 . 2 ]" 1
364 1 35 VAL MG2 1 36 GLU H 0.000 . 4.800 3.689 3.665 3.724 . 0 0 "[ . 1 . 2 ]" 1
365 1 36 GLU H 1 37 ILE MG 0.000 . 5.800 4.841 4.833 4.849 . 0 0 "[ . 1 . 2 ]" 1
366 1 36 GLU H 1 37 ILE H 3.200 3.200 8.200 4.334 4.318 4.344 . 0 0 "[ . 1 . 2 ]" 1
367 1 36 GLU HA 1 37 ILE H 0.000 . 2.700 2.186 2.182 2.189 . 0 0 "[ . 1 . 2 ]" 1
368 1 36 GLU QB 1 37 ILE H 0.000 . 4.800 3.855 3.851 3.860 . 0 0 "[ . 1 . 2 ]" 1
369 1 36 GLU HG3 1 37 ILE H 0.000 . 4.000 3.515 3.494 3.554 . 0 0 "[ . 1 . 2 ]" 1
370 1 36 GLU HG2 1 37 ILE H 0.000 . 4.000 3.165 3.115 3.194 . 0 0 "[ . 1 . 2 ]" 1
371 1 37 ILE H 1 38 LYS H 3.200 3.200 8.200 4.494 4.487 4.503 . 0 0 "[ . 1 . 2 ]" 1
372 1 36 GLU HA 1 37 ILE MG 0.000 . 4.000 3.345 3.339 3.351 . 0 0 "[ . 1 . 2 ]" 1
373 1 37 ILE HA 1 38 LYS H 0.000 . 2.700 2.363 2.349 2.375 . 0 0 "[ . 1 . 2 ]" 1
374 1 37 ILE HG13 1 38 LYS H 0.000 . 4.000 2.184 2.095 2.239 . 0 0 "[ . 1 . 2 ]" 1
375 1 37 ILE HG12 1 38 LYS H 0.000 . 4.000 2.691 2.625 2.794 . 0 0 "[ . 1 . 2 ]" 1
376 1 37 ILE MG 1 38 LYS H 0.000 . 4.800 3.606 3.580 3.644 . 0 0 "[ . 1 . 2 ]" 1
377 1 38 LYS H 1 39 ILE H 3.200 3.200 8.200 4.437 4.431 4.447 . 0 0 "[ . 1 . 2 ]" 1
378 1 38 LYS HA 1 39 ILE H 0.000 . 2.700 2.279 2.273 2.286 . 0 0 "[ . 1 . 2 ]" 1
379 1 38 LYS QB 1 39 ILE H 0.000 . 4.800 3.595 3.582 3.610 . 0 0 "[ . 1 . 2 ]" 1
380 1 38 LYS QG 1 39 ILE H 0.000 . 4.800 2.412 2.372 2.674 . 0 0 "[ . 1 . 2 ]" 1
381 1 39 ILE H 1 40 VAL MG2 0.000 . 5.800 3.993 3.888 4.064 . 0 0 "[ . 1 . 2 ]" 1
382 1 39 ILE H 1 40 VAL H 3.200 3.200 8.200 4.532 4.513 4.543 . 0 0 "[ . 1 . 2 ]" 1
383 1 39 ILE HA 1 40 VAL H 0.000 . 2.700 2.291 2.273 2.300 . 0 0 "[ . 1 . 2 ]" 1
384 1 39 ILE HB 1 40 VAL H 0.000 . 3.200 2.886 2.868 2.924 . 0 0 "[ . 1 . 2 ]" 1
385 1 39 ILE QG 1 40 VAL H 0.000 . 4.800 3.918 3.906 3.952 . 0 0 "[ . 1 . 2 ]" 1
386 1 39 ILE MG 1 40 VAL H 0.000 . 4.800 3.856 3.833 3.872 . 0 0 "[ . 1 . 2 ]" 1
387 1 40 VAL H 1 41 LYS H 3.200 3.200 8.200 4.205 4.179 4.250 . 0 0 "[ . 1 . 2 ]" 1
388 1 41 LYS HA 1 42 TYR H 0.000 . 2.700 2.285 2.264 2.319 . 0 0 "[ . 1 . 2 ]" 1
389 1 41 LYS QB 1 42 TYR H 0.000 . 4.000 3.604 3.566 3.627 . 0 0 "[ . 1 . 2 ]" 1
390 1 41 LYS QG 1 42 TYR H 0.000 . 4.000 2.381 2.202 2.561 . 0 0 "[ . 1 . 2 ]" 1
391 1 41 LYS QD 1 42 TYR H 0.000 . 5.800 3.573 1.986 4.536 . 0 0 "[ . 1 . 2 ]" 1
392 1 42 TYR H 1 43 GLU H 3.200 3.200 8.200 4.510 4.467 4.532 . 0 0 "[ . 1 . 2 ]" 1
393 1 42 TYR HA 1 43 GLU H 0.000 . 2.700 2.217 2.213 2.223 . 0 0 "[ . 1 . 2 ]" 1
394 1 42 TYR QB 1 43 GLU H 0.000 . 4.800 3.790 3.742 3.828 . 0 0 "[ . 1 . 2 ]" 1
395 1 43 GLU H 1 44 GLY H 3.200 3.200 8.200 4.336 4.302 4.375 . 0 0 "[ . 1 . 2 ]" 1
396 1 43 GLU HA 1 44 GLY H 0.000 . 2.700 2.219 2.205 2.239 . 0 0 "[ . 1 . 2 ]" 1
397 1 43 GLU QB 1 44 GLY H 0.000 . 4.800 3.219 3.064 3.295 . 0 0 "[ . 1 . 2 ]" 1
398 1 43 GLU QG 1 44 GLY H 0.000 . 4.800 4.126 3.993 4.182 . 0 0 "[ . 1 . 2 ]" 1
399 1 44 GLY H 1 45 GLU H 3.200 3.200 8.200 4.589 4.588 4.591 . 0 0 "[ . 1 . 2 ]" 1
400 1 44 GLY HA2 1 45 GLU H 2.700 2.700 7.700 3.210 3.208 3.212 . 0 0 "[ . 1 . 2 ]" 1
401 1 44 GLY HA3 1 45 GLU H 0.000 . 2.700 2.187 2.184 2.190 . 0 0 "[ . 1 . 2 ]" 1
402 1 45 GLU H 1 46 GLU H 0.000 . 2.700 2.473 2.412 2.543 . 0 0 "[ . 1 . 2 ]" 1
403 1 45 GLU HA 1 46 GLU H 2.700 2.700 7.700 3.253 3.203 3.309 . 0 0 "[ . 1 . 2 ]" 1
404 1 46 GLU H 1 47 PRO QD 3.200 3.200 8.200 4.267 4.103 4.373 . 0 0 "[ . 1 . 2 ]" 1
405 1 46 GLU QG 1 47 PRO QD 0.000 . 5.600 4.118 4.026 4.227 . 0 0 "[ . 1 . 2 ]" 1
406 1 46 GLU HA 1 47 PRO HD3 0.000 . 2.700 2.031 1.975 2.319 . 0 0 "[ . 1 . 2 ]" 1
407 1 46 GLU HA 1 47 PRO HD2 0.000 . 2.700 2.637 2.306 2.714 0.014 21 0 "[ . 1 . 2 ]" 1
408 1 46 GLU QB 1 47 PRO HD3 0.000 . 4.800 3.653 3.502 3.883 . 0 0 "[ . 1 . 2 ]" 1
409 1 46 GLU QB 1 47 PRO HD2 0.000 . 4.800 3.163 2.758 3.524 . 0 0 "[ . 1 . 2 ]" 1
410 1 47 PRO HA 1 48 LYS H 0.000 . 2.700 2.250 2.231 2.284 . 0 0 "[ . 1 . 2 ]" 1
411 1 47 PRO QB 1 48 LYS H 0.000 . 4.000 3.171 3.062 3.259 . 0 0 "[ . 1 . 2 ]" 1
412 1 47 PRO QG 1 48 LYS H 0.000 . 5.800 4.791 4.555 4.861 . 0 0 "[ . 1 . 2 ]" 1
413 1 48 LYS H 1 49 GLU H 3.200 3.200 8.200 4.458 4.420 4.491 . 0 0 "[ . 1 . 2 ]" 1
414 1 48 LYS HA 1 49 GLU H 0.000 . 2.700 2.259 2.239 2.304 . 0 0 "[ . 1 . 2 ]" 1
415 1 48 LYS QB 1 49 GLU H 0.000 . 3.500 3.079 2.809 3.167 . 0 0 "[ . 1 . 2 ]" 1
416 1 48 LYS QD 1 49 GLU H 0.000 . 4.800 3.815 3.590 4.370 . 0 0 "[ . 1 . 2 ]" 1
417 1 49 GLU H 1 50 GLY H 3.200 3.200 8.200 4.486 4.468 4.496 . 0 0 "[ . 1 . 2 ]" 1
418 1 49 GLU HA 1 50 GLY H 0.000 . 2.700 2.417 2.349 2.459 . 0 0 "[ . 1 . 2 ]" 1
419 1 49 GLU QB 1 50 GLY H 0.000 . 4.000 2.580 2.453 3.537 . 0 0 "[ . 1 . 2 ]" 1
420 1 49 GLU QG 1 50 GLY H 0.000 . 4.800 3.789 2.194 3.957 . 0 0 "[ . 1 . 2 ]" 1
421 1 50 GLY H 1 51 THR H 3.200 3.200 8.200 4.208 4.197 4.219 . 0 0 "[ . 1 . 2 ]" 1
422 1 50 GLY HA3 1 51 THR H 2.700 2.700 7.700 3.138 3.135 3.141 . 0 0 "[ . 1 . 2 ]" 1
423 1 50 GLY HA2 1 51 THR H 0.000 . 2.700 2.228 2.225 2.234 . 0 0 "[ . 1 . 2 ]" 1
424 1 51 THR H 1 52 PHE H 3.200 3.200 8.200 4.435 4.421 4.452 . 0 0 "[ . 1 . 2 ]" 1
425 1 51 THR HA 1 52 PHE H 0.000 . 2.700 2.251 2.242 2.257 . 0 0 "[ . 1 . 2 ]" 1
426 1 51 THR HB 1 52 PHE H 3.200 3.200 5.000 3.952 3.919 3.980 . 0 0 "[ . 1 . 2 ]" 1
427 1 51 THR MG 1 52 PHE H 0.000 . 3.500 2.418 2.367 2.536 . 0 0 "[ . 1 . 2 ]" 1
428 1 52 PHE H 1 53 THR H 3.200 3.200 8.200 4.436 4.431 4.441 . 0 0 "[ . 1 . 2 ]" 1
429 1 51 THR MG 1 52 PHE HA 0.000 . 5.800 3.871 3.782 3.968 . 0 0 "[ . 1 . 2 ]" 1
430 1 52 PHE HA 1 53 THR H 0.000 . 2.700 2.514 2.508 2.520 . 0 0 "[ . 1 . 2 ]" 1
431 1 52 PHE QB 1 53 THR H 0.000 . 4.000 2.497 2.477 2.517 . 0 0 "[ . 1 . 2 ]" 1
432 1 53 THR H 1 54 ALA H 3.200 3.200 8.200 4.506 4.503 4.511 . 0 0 "[ . 1 . 2 ]" 1
433 1 53 THR HA 1 54 ALA H 0.000 . 2.700 2.258 2.252 2.267 . 0 0 "[ . 1 . 2 ]" 1
434 1 53 THR HB 1 54 ALA H 3.200 3.200 5.000 4.064 4.045 4.073 . 0 0 "[ . 1 . 2 ]" 1
435 1 53 THR MG 1 54 ALA H 0.000 . 4.000 2.516 2.488 2.542 . 0 0 "[ . 1 . 2 ]" 1
436 1 54 ALA H 1 55 ARG H 3.200 3.200 8.200 4.423 4.415 4.429 . 0 0 "[ . 1 . 2 ]" 1
437 1 54 ALA HA 1 55 ARG H 0.000 . 2.700 2.264 2.257 2.272 . 0 0 "[ . 1 . 2 ]" 1
438 1 54 ALA MB 1 55 ARG H 0.000 . 4.000 2.996 2.977 3.020 . 0 0 "[ . 1 . 2 ]" 1
439 1 55 ARG H 1 56 VAL H 3.200 3.200 8.200 4.576 4.569 4.583 . 0 0 "[ . 1 . 2 ]" 1
440 1 55 ARG HA 1 56 VAL H 0.000 . 2.700 2.267 2.255 2.277 . 0 0 "[ . 1 . 2 ]" 1
441 1 55 ARG QB 1 56 VAL H 0.000 . 4.000 3.583 3.565 3.594 . 0 0 "[ . 1 . 2 ]" 1
442 1 55 ARG QG 1 56 VAL H 0.000 . 4.000 2.383 2.342 2.446 . 0 0 "[ . 1 . 2 ]" 1
443 1 56 VAL H 1 57 GLY H 3.200 3.200 8.200 4.524 4.511 4.543 . 0 0 "[ . 1 . 2 ]" 1
444 1 56 VAL HA 1 57 GLY H 0.000 . 2.700 2.169 2.165 2.175 . 0 0 "[ . 1 . 2 ]" 1
445 1 56 VAL HB 1 57 GLY H 3.200 3.200 5.000 4.304 4.290 4.316 . 0 0 "[ . 1 . 2 ]" 1
446 1 56 VAL MG2 1 57 GLY H 0.000 . 4.800 4.071 4.062 4.078 . 0 0 "[ . 1 . 2 ]" 1
447 1 56 VAL MG1 1 57 GLY H 0.000 . 4.000 2.667 2.621 2.694 . 0 0 "[ . 1 . 2 ]" 1
448 1 57 GLY H 1 58 GLU H 3.200 3.200 8.200 4.392 4.359 4.431 . 0 0 "[ . 1 . 2 ]" 1
449 1 57 GLY HA3 1 58 GLU H 0.000 . 2.700 2.437 2.398 2.489 . 0 0 "[ . 1 . 2 ]" 1
450 1 57 GLY HA2 1 58 GLU H 0.000 . 2.700 2.725 2.692 2.750 0.050 9 0 "[ . 1 . 2 ]" 1
451 1 58 GLU H 1 59 GLN H 3.200 3.200 8.200 4.683 4.681 4.685 . 0 0 "[ . 1 . 2 ]" 1
452 1 58 GLU HA 1 59 GLN H 0.000 . 2.700 2.322 2.306 2.345 . 0 0 "[ . 1 . 2 ]" 1
453 1 58 GLU QB 1 59 GLN H 0.000 . 4.000 3.494 3.429 3.539 . 0 0 "[ . 1 . 2 ]" 1
454 1 58 GLU QG 1 59 GLN H 0.000 . 4.800 2.153 2.054 2.239 . 0 0 "[ . 1 . 2 ]" 1
455 1 58 GLU QG 1 59 GLN HE22 0.000 . 4.800 4.278 4.068 4.304 . 0 0 "[ . 1 . 2 ]" 1
456 1 59 GLN H 1 60 GLY H 0.000 . 3.200 2.871 2.847 2.885 . 0 0 "[ . 1 . 2 ]" 1
457 1 59 GLN HA 1 60 GLY H 3.200 3.200 8.200 3.159 3.145 3.178 0.055 2 0 "[ . 1 . 2 ]" 1
458 1 59 GLN HB3 1 60 GLY H 3.200 3.200 5.000 4.410 4.380 4.479 . 0 0 "[ . 1 . 2 ]" 1
459 1 60 GLY H 1 61 SER H 0.000 . 2.700 2.666 2.657 2.674 . 0 0 "[ . 1 . 2 ]" 1
460 1 60 GLY HA3 1 61 SER H 2.700 2.700 7.700 3.474 3.471 3.476 . 0 0 "[ . 1 . 2 ]" 1
461 1 60 GLY HA2 1 61 SER H 2.700 2.700 7.700 3.106 3.103 3.109 . 0 0 "[ . 1 . 2 ]" 1
462 1 61 SER H 1 62 VAL H 3.200 3.200 8.200 4.645 4.634 4.650 . 0 0 "[ . 1 . 2 ]" 1
463 1 61 SER HA 1 62 VAL H 0.000 . 2.700 2.261 2.238 2.276 . 0 0 "[ . 1 . 2 ]" 1
464 1 61 SER QB 1 62 VAL H 0.000 . 4.000 3.097 2.951 3.614 . 0 0 "[ . 1 . 2 ]" 1
465 1 62 VAL H 1 63 ILE H 3.200 3.200 8.200 4.394 4.380 4.402 . 0 0 "[ . 1 . 2 ]" 1
466 1 62 VAL HA 1 63 ILE H 0.000 . 2.700 2.302 2.293 2.311 . 0 0 "[ . 1 . 2 ]" 1
467 1 62 VAL HB 1 63 ILE H 3.200 3.200 5.000 4.165 4.147 4.179 . 0 0 "[ . 1 . 2 ]" 1
468 1 62 VAL MG1 1 63 ILE H 0.000 . 5.800 3.800 3.775 3.815 . 0 0 "[ . 1 . 2 ]" 1
469 1 62 VAL MG2 1 63 ILE H 0.000 . 4.800 2.339 2.233 2.418 . 0 0 "[ . 1 . 2 ]" 1
470 1 63 ILE H 1 64 ILE H 3.200 3.200 8.200 4.435 4.422 4.449 . 0 0 "[ . 1 . 2 ]" 1
471 1 63 ILE HA 1 64 ILE H 0.000 . 2.700 2.196 2.190 2.203 . 0 0 "[ . 1 . 2 ]" 1
472 1 63 ILE MG 1 64 ILE H 0.000 . 4.000 2.859 2.778 2.921 . 0 0 "[ . 1 . 2 ]" 1
473 1 64 ILE H 1 65 PRO QD 3.200 3.200 8.200 4.498 4.492 4.501 . 0 0 "[ . 1 . 2 ]" 1
474 1 64 ILE HA 1 65 PRO HD3 0.000 . 2.700 2.552 2.536 2.568 . 0 0 "[ . 1 . 2 ]" 1
475 1 64 ILE HA 1 65 PRO HD2 0.000 . 2.700 2.239 2.214 2.247 . 0 0 "[ . 1 . 2 ]" 1
476 1 65 PRO HA 1 66 LYS H 0.000 . 2.700 2.222 2.213 2.231 . 0 0 "[ . 1 . 2 ]" 1
477 1 65 PRO QD 1 66 LYS H 3.200 3.200 8.200 4.994 4.985 5.002 . 0 0 "[ . 1 . 2 ]" 1
478 1 65 PRO QB 1 66 LYS H 0.000 . 4.800 3.274 3.230 3.328 . 0 0 "[ . 1 . 2 ]" 1
479 1 66 LYS H 1 67 ALA H 0.000 . 2.700 2.775 2.770 2.782 0.082 22 0 "[ . 1 . 2 ]" 1
480 1 66 LYS HA 1 67 ALA H 3.200 3.200 8.200 3.533 3.525 3.535 . 0 0 "[ . 1 . 2 ]" 1
481 1 66 LYS QB 1 67 ALA H 0.000 . 4.000 2.648 2.595 3.457 . 0 0 "[ . 1 . 2 ]" 1
482 1 66 LYS QG 1 67 ALA H 0.000 . 4.800 3.672 2.091 3.771 . 0 0 "[ . 1 . 2 ]" 1
483 1 66 LYS QD 1 67 ALA H 0.000 . 5.800 4.682 4.193 5.168 . 0 0 "[ . 1 . 2 ]" 1
484 1 67 ALA H 1 68 LEU QB 0.000 . 5.800 4.660 4.649 4.675 . 0 0 "[ . 1 . 2 ]" 1
485 1 67 ALA H 1 68 LEU H 0.000 . 2.700 2.757 2.749 2.763 0.063 2 0 "[ . 1 . 2 ]" 1
486 1 67 ALA HA 1 68 LEU H 3.200 3.200 8.200 3.551 3.548 3.555 . 0 0 "[ . 1 . 2 ]" 1
487 1 67 ALA MB 1 68 LEU H 0.000 . 4.000 2.545 2.481 2.640 . 0 0 "[ . 1 . 2 ]" 1
488 1 68 LEU H 1 69 ARG H 0.000 . 2.700 2.510 2.488 2.527 . 0 0 "[ . 1 . 2 ]" 1
489 1 68 LEU HA 1 69 ARG H 3.200 3.200 8.200 3.557 3.553 3.561 . 0 0 "[ . 1 . 2 ]" 1
490 1 68 LEU QB 1 69 ARG H 0.000 . 4.000 2.726 2.720 2.730 . 0 0 "[ . 1 . 2 ]" 1
491 1 68 LEU HG 1 69 ARG H 0.000 . 4.800 4.466 4.442 4.480 . 0 0 "[ . 1 . 2 ]" 1
492 1 69 ARG H 1 70 ASP H 0.000 . 2.700 2.755 2.745 2.761 0.061 7 0 "[ . 1 . 2 ]" 1
493 1 69 ARG HA 1 70 ASP H 3.200 3.200 8.200 3.559 3.557 3.560 . 0 0 "[ . 1 . 2 ]" 1
494 1 69 ARG QB 1 70 ASP H 0.000 . 4.000 2.253 2.236 2.273 . 0 0 "[ . 1 . 2 ]" 1
495 1 69 ARG QG 1 70 ASP H 0.000 . 5.800 3.770 3.738 3.787 . 0 0 "[ . 1 . 2 ]" 1
496 1 69 ARG QD 1 70 ASP H 0.000 . 5.800 4.467 4.436 4.501 . 0 0 "[ . 1 . 2 ]" 1
497 1 70 ASP H 1 71 VAL H 0.000 . 2.700 2.734 2.729 2.741 0.041 15 0 "[ . 1 . 2 ]" 1
498 1 70 ASP HA 1 71 VAL H 3.200 3.200 8.200 3.582 3.580 3.583 . 0 0 "[ . 1 . 2 ]" 1
499 1 70 ASP QB 1 71 VAL H 0.000 . 4.000 2.348 2.308 2.374 . 0 0 "[ . 1 . 2 ]" 1
500 1 71 VAL H 1 72 ILE H 0.000 . 2.700 2.731 2.728 2.734 0.034 4 0 "[ . 1 . 2 ]" 1
501 1 71 VAL HA 1 72 ILE H 3.200 3.200 8.200 3.544 3.539 3.547 . 0 0 "[ . 1 . 2 ]" 1
502 1 71 VAL HB 1 72 ILE H 0.000 . 3.200 2.580 2.558 2.594 . 0 0 "[ . 1 . 2 ]" 1
503 1 71 VAL MG1 1 72 ILE H 0.000 . 4.000 3.398 3.394 3.401 . 0 0 "[ . 1 . 2 ]" 1
504 1 72 ILE H 1 73 GLY H 0.000 . 2.700 2.536 2.526 2.559 . 0 0 "[ . 1 . 2 ]" 1
505 1 72 ILE HA 1 73 GLY H 3.200 3.200 8.200 3.492 3.478 3.496 . 0 0 "[ . 1 . 2 ]" 1
506 1 72 ILE HB 1 73 GLY H 0.000 . 3.200 3.142 3.120 3.209 0.009 9 0 "[ . 1 . 2 ]" 1
507 1 72 ILE QG 1 73 GLY H 0.000 . 4.800 4.160 4.145 4.190 . 0 0 "[ . 1 . 2 ]" 1
508 1 72 ILE MG 1 73 GLY H 0.000 . 4.800 3.865 3.850 3.890 . 0 0 "[ . 1 . 2 ]" 1
509 1 73 GLY H 1 74 ILE QG 0.000 . 4.800 3.454 3.429 3.488 . 0 0 "[ . 1 . 2 ]" 1
510 1 73 GLY H 1 74 ILE MD 0.000 . 5.800 4.499 4.456 4.545 . 0 0 "[ . 1 . 2 ]" 1
511 1 73 GLY H 1 74 ILE H 0.000 . 2.700 2.544 2.536 2.562 . 0 0 "[ . 1 . 2 ]" 1
512 1 73 GLY HA3 1 74 ILE H 3.200 3.200 8.200 3.536 3.533 3.538 . 0 0 "[ . 1 . 2 ]" 1
513 1 73 GLY HA2 1 74 ILE H 2.700 2.700 7.700 2.911 2.909 2.914 . 0 0 "[ . 1 . 2 ]" 1
514 1 74 ILE H 1 75 LYS H 3.200 3.200 8.200 4.623 4.606 4.633 . 0 0 "[ . 1 . 2 ]" 1
515 1 74 ILE HA 1 75 LYS H 0.000 . 2.700 2.244 2.228 2.257 . 0 0 "[ . 1 . 2 ]" 1
516 1 74 ILE HB 1 75 LYS H 3.200 3.200 5.000 4.044 3.999 4.091 . 0 0 "[ . 1 . 2 ]" 1
517 1 74 ILE MG 1 75 LYS H 0.000 . 4.000 2.387 2.241 2.510 . 0 0 "[ . 1 . 2 ]" 1
518 1 75 LYS H 1 76 PRO QD 3.500 3.500 8.500 4.449 4.436 4.463 . 0 0 "[ . 1 . 2 ]" 1
519 1 75 LYS HA 1 76 PRO HD3 0.000 . 2.700 2.364 2.105 2.591 . 0 0 "[ . 1 . 2 ]" 1
520 1 75 LYS HA 1 76 PRO HD2 0.000 . 2.700 2.620 2.468 2.782 0.082 5 0 "[ . 1 . 2 ]" 1
521 1 76 PRO HA 1 77 GLY H 0.000 . 2.700 2.222 2.217 2.231 . 0 0 "[ . 1 . 2 ]" 1
522 1 76 PRO QB 1 77 GLY H 0.000 . 4.000 3.245 3.195 3.275 . 0 0 "[ . 1 . 2 ]" 1
523 1 77 GLY H 1 78 GLU H 0.000 . 2.700 2.564 2.541 2.593 . 0 0 "[ . 1 . 2 ]" 1
524 1 77 GLY HA3 1 78 GLU H 3.200 3.200 8.200 3.339 3.320 3.354 . 0 0 "[ . 1 . 2 ]" 1
525 1 77 GLY HA2 1 78 GLU H 3.200 3.200 8.200 3.344 3.332 3.364 . 0 0 "[ . 1 . 2 ]" 1
526 1 78 GLU H 1 79 VAL H 3.200 3.200 8.200 4.524 4.516 4.533 . 0 0 "[ . 1 . 2 ]" 1
527 1 78 GLU HA 1 79 VAL H 0.000 . 2.700 2.197 2.187 2.209 . 0 0 "[ . 1 . 2 ]" 1
528 1 78 GLU QB 1 79 VAL H 0.000 . 4.000 3.321 3.218 3.510 . 0 0 "[ . 1 . 2 ]" 1
529 1 78 GLU QG 1 79 VAL H 0.000 . 4.000 3.578 3.276 3.622 . 0 0 "[ . 1 . 2 ]" 1
530 1 79 VAL H 1 80 ILE H 3.200 3.200 8.200 4.555 4.527 4.578 . 0 0 "[ . 1 . 2 ]" 1
531 1 79 VAL HA 1 80 ILE H 0.000 . 2.700 2.175 2.172 2.181 . 0 0 "[ . 1 . 2 ]" 1
532 1 79 VAL HB 1 80 ILE H 3.200 3.200 5.000 4.263 4.216 4.308 . 0 0 "[ . 1 . 2 ]" 1
533 1 79 VAL MG2 1 80 ILE H 0.000 . 4.000 2.610 2.380 2.790 . 0 0 "[ . 1 . 2 ]" 1
534 1 80 ILE H 1 81 GLU H 3.200 3.200 8.200 4.480 4.464 4.506 . 0 0 "[ . 1 . 2 ]" 1
535 1 80 ILE HA 1 81 GLU H 0.000 . 2.700 2.376 2.362 2.384 . 0 0 "[ . 1 . 2 ]" 1
536 1 80 ILE HB 1 81 GLU H 0.000 . 3.200 2.745 2.731 2.755 . 0 0 "[ . 1 . 2 ]" 1
537 1 80 ILE QG 1 81 GLU H 0.000 . 4.000 3.656 3.649 3.662 . 0 0 "[ . 1 . 2 ]" 1
538 1 80 ILE MG 1 81 GLU H 0.000 . 4.800 3.886 3.868 3.905 . 0 0 "[ . 1 . 2 ]" 1
539 1 80 ILE MD 1 81 GLU H 0.000 . 5.800 4.423 4.398 4.448 . 0 0 "[ . 1 . 2 ]" 1
540 1 81 GLU H 1 82 VAL H 3.200 3.200 8.200 4.462 4.433 4.473 . 0 0 "[ . 1 . 2 ]" 1
541 1 81 GLU HA 1 82 VAL H 0.000 . 2.700 2.196 2.188 2.203 . 0 0 "[ . 1 . 2 ]" 1
542 1 81 GLU QB 1 82 VAL H 0.000 . 4.800 3.787 3.772 3.813 . 0 0 "[ . 1 . 2 ]" 1
543 1 81 GLU QG 1 82 VAL H 0.000 . 4.800 2.776 2.737 2.859 . 0 0 "[ . 1 . 2 ]" 1
544 1 82 VAL H 1 83 LEU MD2 0.000 . 5.800 3.994 3.852 4.074 . 0 0 "[ . 1 . 2 ]" 1
545 1 82 VAL H 1 83 LEU H 3.200 3.200 8.200 4.442 4.422 4.465 . 0 0 "[ . 1 . 2 ]" 1
546 1 82 VAL HA 1 83 LEU H 0.000 . 2.700 2.176 2.170 2.186 . 0 0 "[ . 1 . 2 ]" 1
547 1 82 VAL MG1 1 83 LEU H 0.000 . 4.000 2.779 2.732 2.821 . 0 0 "[ . 1 . 2 ]" 1
548 1 82 VAL MG2 1 83 LEU H 0.000 . 4.800 4.028 4.021 4.035 . 0 0 "[ . 1 . 2 ]" 1
549 1 83 LEU H 1 84 LEU H 3.200 3.200 8.200 4.420 4.406 4.436 . 0 0 "[ . 1 . 2 ]" 1
550 1 83 LEU HA 1 84 LEU H 0.000 . 2.700 2.252 2.247 2.258 . 0 0 "[ . 1 . 2 ]" 1
551 1 83 LEU QB 1 84 LEU H 0.000 . 4.800 3.298 3.269 3.339 . 0 0 "[ . 1 . 2 ]" 1
552 1 83 LEU MD2 1 84 LEU H 0.000 . 4.800 3.907 3.860 3.971 . 0 0 "[ . 1 . 2 ]" 1
553 1 84 LEU H 1 85 LEU H 3.200 3.200 8.200 4.608 4.595 4.618 . 0 0 "[ . 1 . 2 ]" 1
554 1 84 LEU HA 1 85 LEU H 0.000 . 3.200 2.246 2.231 2.263 . 0 0 "[ . 1 . 2 ]" 1
555 1 84 LEU HB2 1 85 LEU H 3.200 3.200 5.000 4.298 4.277 4.327 . 0 0 "[ . 1 . 2 ]" 1
556 1 84 LEU HB3 1 85 LEU H 3.200 3.200 5.000 3.201 3.166 3.252 0.034 12 0 "[ . 1 . 2 ]" 1
557 1 84 LEU HG 1 85 LEU H 0.000 . 5.000 4.396 4.360 4.430 . 0 0 "[ . 1 . 2 ]" 1
558 1 84 LEU MD2 1 85 LEU H 0.000 . 4.800 3.172 3.035 3.218 . 0 0 "[ . 1 . 2 ]" 1
559 1 85 LEU H 1 86 GLY H 0.000 . 2.700 2.110 2.017 2.190 . 0 0 "[ . 1 . 2 ]" 1
560 1 85 LEU HA 1 86 GLY H 2.700 2.700 7.700 3.548 3.524 3.564 . 0 0 "[ . 1 . 2 ]" 1
561 1 85 LEU QB 1 86 GLY H 0.000 . 4.000 2.783 2.694 2.869 . 0 0 "[ . 1 . 2 ]" 1
562 1 86 GLY H 1 87 HIS H 3.200 3.200 8.200 4.432 4.418 4.443 . 0 0 "[ . 1 . 2 ]" 1
563 1 86 GLY QA 1 87 HIS H 0.000 . 2.700 2.311 2.304 2.314 . 0 0 "[ . 1 . 2 ]" 1
564 1 87 HIS H 1 88 TYR H 3.200 3.200 8.200 4.451 4.420 4.476 . 0 0 "[ . 1 . 2 ]" 1
565 1 87 HIS HA 1 88 TYR H 0.000 . 2.700 2.341 2.313 2.386 . 0 0 "[ . 1 . 2 ]" 1
566 1 87 HIS QB 1 88 TYR H 0.000 . 4.000 2.853 2.708 3.018 . 0 0 "[ . 1 . 2 ]" 1
567 1 88 TYR H 1 89 LYS H 3.200 3.200 8.200 4.378 4.351 4.425 . 0 0 "[ . 1 . 2 ]" 1
568 1 88 TYR HA 1 89 LYS H 0.000 . 2.700 2.256 2.230 2.292 . 0 0 "[ . 1 . 2 ]" 1
569 1 88 TYR HB3 1 89 LYS H 0.000 . 3.200 3.153 3.008 3.217 0.017 16 0 "[ . 1 . 2 ]" 1
570 1 88 TYR HB2 1 89 LYS H 3.200 3.200 5.000 4.139 4.027 4.209 . 0 0 "[ . 1 . 2 ]" 1
571 1 89 LYS H 1 90 PRO HD3 3.200 3.200 8.200 4.724 4.027 4.876 . 0 0 "[ . 1 . 2 ]" 1
572 1 89 LYS H 1 90 PRO HD2 3.200 3.200 8.200 5.258 5.058 5.353 . 0 0 "[ . 1 . 2 ]" 1
573 1 3 VAL MG2 1 6 LYS HA 0.000 . 4.800 3.501 3.355 3.683 . 0 0 "[ . 1 . 2 ]" 1
574 1 3 VAL MG2 1 6 LYS QE 0.000 . 5.600 4.061 3.603 4.185 . 0 0 "[ . 1 . 2 ]" 1
575 1 2 ASP QB 1 4 LEU QD 0.000 . 4.800 3.528 3.516 3.549 . 0 0 "[ . 1 . 2 ]" 1
576 1 3 VAL HA 1 5 ALA H 0.000 . 4.000 3.821 3.737 3.926 . 0 0 "[ . 1 . 2 ]" 1
577 1 3 VAL MG1 1 5 ALA H 0.000 . 3.500 3.006 2.990 3.020 . 0 0 "[ . 1 . 2 ]" 1
578 1 3 VAL MG2 1 5 ALA H 0.000 . 4.800 2.088 1.982 2.155 . 0 0 "[ . 1 . 2 ]" 1
579 1 3 VAL MG2 1 6 LYS H 0.000 . 5.800 4.452 4.246 4.669 . 0 0 "[ . 1 . 2 ]" 1
580 1 7 PHE HE2 1 9 THR HB 0.000 . 3.200 3.235 3.221 3.246 0.046 1 0 "[ . 1 . 2 ]" 1
581 1 7 PHE HE2 1 9 THR MG 0.000 . 3.500 2.836 2.766 2.915 . 0 0 "[ . 1 . 2 ]" 1
582 1 12 HIS HB3 1 16 ARG HB3 0.000 . 5.000 3.761 3.646 3.833 . 0 0 "[ . 1 . 2 ]" 1
583 1 12 HIS HB2 1 16 ARG HB3 0.000 . 5.000 3.355 3.216 3.486 . 0 0 "[ . 1 . 2 ]" 1
584 1 14 ILE MD 1 16 ARG QB 0.000 . 4.800 3.586 3.562 3.594 . 0 0 "[ . 1 . 2 ]" 1
585 1 14 ILE MD 1 16 ARG QD 0.000 . 5.600 3.864 3.590 4.181 . 0 0 "[ . 1 . 2 ]" 1
586 1 11 VAL MG1 1 15 GLY HA2 0.000 . 4.000 2.306 2.235 2.382 . 0 0 "[ . 1 . 2 ]" 1
587 1 11 VAL MG1 1 15 GLY H 0.000 . 4.800 3.412 3.331 3.479 . 0 0 "[ . 1 . 2 ]" 1
588 1 13 ARG HA 1 15 GLY H 0.000 . 4.000 3.301 3.269 3.329 . 0 0 "[ . 1 . 2 ]" 1
589 1 12 HIS HB2 1 16 ARG H 0.000 . 5.000 4.046 3.990 4.106 . 0 0 "[ . 1 . 2 ]" 1
590 1 14 ILE H 1 16 ARG H 3.200 3.200 5.000 4.586 4.578 4.593 . 0 0 "[ . 1 . 2 ]" 1
591 1 16 ARG QD 1 18 ILE MD 0.000 . 4.800 3.119 2.697 3.572 . 0 0 "[ . 1 . 2 ]" 1
592 1 18 ILE MG 1 20 PRO HA 0.000 . 4.800 4.055 4.048 4.060 . 0 0 "[ . 1 . 2 ]" 1
593 1 21 ALA HA 1 24 ARG QB 0.000 . 4.000 2.839 2.823 2.864 . 0 0 "[ . 1 . 2 ]" 1
594 1 21 ALA HA 1 24 ARG QD 0.000 . 4.000 3.043 3.017 3.077 . 0 0 "[ . 1 . 2 ]" 1
595 1 21 ALA HA 1 24 ARG HE 0.000 . 2.700 2.804 2.795 2.815 0.115 21 0 "[ . 1 . 2 ]" 1
596 1 21 ALA HA 1 24 ARG QG 0.000 . 4.800 1.973 1.968 1.977 . 0 0 "[ . 1 . 2 ]" 1
597 1 21 ALA MB 1 24 ARG HE 0.000 . 4.800 3.954 3.931 3.995 . 0 0 "[ . 1 . 2 ]" 1
598 1 22 GLY QA 1 25 LYS QB 0.000 . 4.800 2.908 2.834 3.171 . 0 0 "[ . 1 . 2 ]" 1
599 1 22 GLY QA 1 25 LYS QG 0.000 . 5.800 4.546 3.528 4.682 . 0 0 "[ . 1 . 2 ]" 1
600 1 20 PRO HA 1 22 GLY H 0.000 . 5.000 3.951 3.936 3.960 . 0 0 "[ . 1 . 2 ]" 1
601 1 20 PRO HB3 1 22 GLY H 0.000 . 4.000 4.150 4.139 4.162 0.162 6 0 "[ . 1 . 2 ]" 1
602 1 20 PRO HB2 1 22 GLY H 0.000 . 4.000 2.524 2.508 2.548 . 0 0 "[ . 1 . 2 ]" 1
603 1 23 THR HA 1 26 PHE HB3 0.000 . 3.200 2.842 2.753 2.889 . 0 0 "[ . 1 . 2 ]" 1
604 1 23 THR HA 1 26 PHE HB2 0.000 . 4.000 3.497 3.378 3.619 . 0 0 "[ . 1 . 2 ]" 1
605 1 19 ILE MD 1 23 THR MG 0.000 . 5.600 3.329 3.242 3.441 . 0 0 "[ . 1 . 2 ]" 1
606 1 19 ILE MG 1 23 THR MG 0.000 . 4.300 2.279 2.176 2.330 . 0 0 "[ . 1 . 2 ]" 1
607 1 19 ILE MG 1 23 THR H 0.000 . 4.800 3.472 3.443 3.509 . 0 0 "[ . 1 . 2 ]" 1
608 1 20 PRO HB3 1 23 THR H 0.000 . 5.000 4.546 4.502 4.560 . 0 0 "[ . 1 . 2 ]" 1
609 1 20 PRO HB2 1 23 THR H 0.000 . 3.200 2.998 2.935 3.020 . 0 0 "[ . 1 . 2 ]" 1
610 1 20 PRO QD 1 23 THR H 0.000 . 4.800 4.252 4.225 4.280 . 0 0 "[ . 1 . 2 ]" 1
611 1 20 PRO QG 1 23 THR H 0.000 . 4.800 2.379 2.358 2.403 . 0 0 "[ . 1 . 2 ]" 1
612 1 21 ALA HA 1 23 THR H 0.000 . 5.000 4.463 4.445 4.483 . 0 0 "[ . 1 . 2 ]" 1
613 1 21 ALA MB 1 23 THR H 0.000 . 5.800 4.740 4.725 4.752 . 0 0 "[ . 1 . 2 ]" 1
614 1 23 THR H 1 25 LYS H 3.200 3.200 5.000 4.172 4.126 4.276 . 0 0 "[ . 1 . 2 ]" 1
615 1 20 PRO QD 1 24 ARG H 0.000 . 5.800 4.928 4.902 4.961 . 0 0 "[ . 1 . 2 ]" 1
616 1 21 ALA HA 1 24 ARG H 0.000 . 3.500 3.410 3.403 3.424 . 0 0 "[ . 1 . 2 ]" 1
617 1 22 GLY QA 1 24 ARG H 0.000 . 5.800 4.116 4.071 4.138 . 0 0 "[ . 1 . 2 ]" 1
618 1 21 ALA HA 1 25 LYS H 0.000 . 4.500 4.232 4.162 4.326 . 0 0 "[ . 1 . 2 ]" 1
619 1 22 GLY QA 1 25 LYS H 0.000 . 4.000 3.571 3.537 3.627 . 0 0 "[ . 1 . 2 ]" 1
620 1 23 THR HA 1 25 LYS H 0.000 . 5.000 4.269 4.226 4.333 . 0 0 "[ . 1 . 2 ]" 1
621 1 25 LYS H 1 27 TYR H 3.200 3.200 5.000 4.121 4.004 4.158 . 0 0 "[ . 1 . 2 ]" 1
622 1 23 THR MG 1 26 PHE HD2 0.000 . 4.800 4.013 4.004 4.023 . 0 0 "[ . 1 . 2 ]" 1
623 1 22 GLY QA 1 26 PHE H 0.000 . 4.800 4.211 4.061 4.281 . 0 0 "[ . 1 . 2 ]" 1
624 1 23 THR HA 1 26 PHE H 0.000 . 3.500 3.442 3.359 3.517 0.017 21 0 "[ . 1 . 2 ]" 1
625 1 23 THR MG 1 26 PHE H 0.000 . 5.800 4.675 4.605 4.766 . 0 0 "[ . 1 . 2 ]" 1
626 1 27 TYR HB3 1 29 ILE MD 0.000 . 4.000 2.212 1.989 2.261 . 0 0 "[ . 1 . 2 ]" 1
627 1 27 TYR HB3 1 29 ILE QG 0.000 . 4.800 1.952 1.932 1.957 . 0 0 "[ . 1 . 2 ]" 1
628 1 27 TYR HB2 1 29 ILE MD 0.000 . 4.000 3.150 2.858 3.209 . 0 0 "[ . 1 . 2 ]" 1
629 1 27 TYR HB2 1 29 ILE QG 0.000 . 4.800 3.544 3.539 3.550 . 0 0 "[ . 1 . 2 ]" 1
630 1 23 THR HA 1 27 TYR H 0.000 . 4.500 4.158 4.025 4.226 . 0 0 "[ . 1 . 2 ]" 1
631 1 23 THR MG 1 27 TYR H 0.000 . 4.800 3.987 3.909 4.026 . 0 0 "[ . 1 . 2 ]" 1
632 1 24 ARG HA 1 27 TYR H 0.000 . 4.000 3.791 3.745 3.841 . 0 0 "[ . 1 . 2 ]" 1
633 1 27 TYR H 1 29 ILE MD 0.000 . 4.800 4.027 4.018 4.036 . 0 0 "[ . 1 . 2 ]" 1
634 1 25 LYS HA 1 28 GLY H 0.000 . 3.500 3.424 3.337 3.486 . 0 0 "[ . 1 . 2 ]" 1
635 1 25 LYS QB 1 28 GLY H 0.000 . 5.800 4.847 4.605 4.918 . 0 0 "[ . 1 . 2 ]" 1
636 1 24 ARG HA 1 28 GLY H 0.000 . 4.500 4.403 4.319 4.475 . 0 0 "[ . 1 . 2 ]" 1
637 1 25 LYS QG 1 28 GLY H 0.000 . 5.800 4.759 4.643 5.202 . 0 0 "[ . 1 . 2 ]" 1
638 1 25 LYS HA 1 29 ILE H 0.000 . 4.500 4.067 4.000 4.149 . 0 0 "[ . 1 . 2 ]" 1
639 1 27 TYR HB3 1 29 ILE H 0.000 . 5.000 3.346 3.239 3.360 . 0 0 "[ . 1 . 2 ]" 1
640 1 27 TYR HB2 1 29 ILE H 0.000 . 5.000 5.020 4.884 5.036 0.036 22 0 "[ . 1 . 2 ]" 1
641 1 30 GLU H 1 33 ASP QB 0.000 . 4.800 2.684 2.636 2.723 . 0 0 "[ . 1 . 2 ]" 1
642 1 30 GLU H 1 33 ASP H 0.000 . 4.000 4.046 4.026 4.073 0.073 11 0 "[ . 1 . 2 ]" 1
643 1 31 GLN HA 1 33 ASP H 0.000 . 3.500 3.469 3.434 3.496 . 0 0 "[ . 1 . 2 ]" 1
644 1 38 LYS QD 1 40 VAL MG2 0.000 . 4.800 3.394 2.233 3.599 . 0 0 "[ . 1 . 2 ]" 1
645 1 38 LYS QE 1 40 VAL MG2 0.000 . 4.800 3.156 2.615 3.561 . 0 0 "[ . 1 . 2 ]" 1
646 1 42 TYR HE2 1 45 GLU HA 0.000 . 4.000 3.276 2.972 3.649 . 0 0 "[ . 1 . 2 ]" 1
647 1 42 TYR HE1 1 46 GLU HA 0.000 . 4.000 3.631 3.458 3.839 . 0 0 "[ . 1 . 2 ]" 1
648 1 40 VAL MG1 1 42 TYR H 0.000 . 5.800 4.644 4.493 4.761 . 0 0 "[ . 1 . 2 ]" 1
649 1 43 GLU H 1 47 PRO HA 0.000 . 4.000 2.984 2.864 3.074 . 0 0 "[ . 1 . 2 ]" 1
650 1 46 GLU QG 1 48 LYS QE 0.000 . 5.600 2.205 1.849 3.054 . 0 0 "[ . 1 . 2 ]" 1
651 1 43 GLU H 1 46 GLU H 0.000 . 4.000 3.871 3.778 3.955 . 0 0 "[ . 1 . 2 ]" 1
652 1 52 PHE HZ 1 54 ALA MB 0.000 . 3.500 2.972 2.965 2.980 . 0 0 "[ . 1 . 2 ]" 1
653 1 59 GLN H 1 61 SER H 3.200 3.200 5.000 4.664 4.651 4.679 . 0 0 "[ . 1 . 2 ]" 1
654 1 58 GLU HA 1 60 GLY H 0.000 . 5.000 3.400 3.332 3.442 . 0 0 "[ . 1 . 2 ]" 1
655 1 59 GLN HB3 1 61 SER H 0.000 . 5.000 4.399 4.343 4.535 . 0 0 "[ . 1 . 2 ]" 1
656 1 59 GLN HB2 1 61 SER H 0.000 . 5.000 3.650 3.518 3.730 . 0 0 "[ . 1 . 2 ]" 1
657 1 67 ALA HA 1 70 ASP QB 0.000 . 4.000 3.424 3.377 3.462 . 0 0 "[ . 1 . 2 ]" 1
658 1 65 PRO HA 1 67 ALA H 0.000 . 5.000 3.972 3.927 4.009 . 0 0 "[ . 1 . 2 ]" 1
659 1 65 PRO QG 1 67 ALA H 0.000 . 4.800 4.190 4.122 4.255 . 0 0 "[ . 1 . 2 ]" 1
660 1 67 ALA H 1 69 ARG H 3.200 3.200 5.000 4.096 4.044 4.125 . 0 0 "[ . 1 . 2 ]" 1
661 1 68 LEU HA 1 71 VAL HB 0.000 . 3.200 2.672 2.623 2.714 . 0 0 "[ . 1 . 2 ]" 1
662 1 65 PRO HB3 1 68 LEU H 0.000 . 5.000 4.541 4.533 4.554 . 0 0 "[ . 1 . 2 ]" 1
663 1 65 PRO HB2 1 68 LEU H 0.000 . 3.200 2.897 2.871 2.924 . 0 0 "[ . 1 . 2 ]" 1
664 1 68 LEU H 1 70 ASP H 3.200 3.200 5.000 4.298 4.276 4.328 . 0 0 "[ . 1 . 2 ]" 1
665 1 69 ARG HA 1 72 ILE HB 0.000 . 3.200 3.239 3.221 3.253 0.053 3 0 "[ . 1 . 2 ]" 1
666 1 69 ARG HA 1 72 ILE MD 0.000 . 4.000 3.372 3.356 3.390 . 0 0 "[ . 1 . 2 ]" 1
667 1 66 LYS HA 1 69 ARG HE 0.000 . 3.200 2.690 2.587 2.802 . 0 0 "[ . 1 . 2 ]" 1
668 1 65 PRO QD 1 69 ARG H 0.000 . 5.800 5.150 5.093 5.176 . 0 0 "[ . 1 . 2 ]" 1
669 1 69 ARG H 1 71 VAL H 3.200 3.200 5.000 4.390 4.365 4.410 . 0 0 "[ . 1 . 2 ]" 1
670 1 66 LYS QG 1 70 ASP H 0.000 . 5.800 4.031 3.925 5.204 . 0 0 "[ . 1 . 2 ]" 1
671 1 67 ALA HA 1 70 ASP H 0.000 . 4.000 3.929 3.893 3.973 . 0 0 "[ . 1 . 2 ]" 1
672 1 68 LEU HA 1 71 VAL H 0.000 . 3.500 3.515 3.509 3.524 0.024 15 0 "[ . 1 . 2 ]" 1
673 1 68 LEU HA 1 72 ILE H 0.000 . 4.500 3.897 3.835 3.954 . 0 0 "[ . 1 . 2 ]" 1
674 1 69 ARG HA 1 72 ILE H 0.000 . 4.000 4.013 3.991 4.024 0.024 10 0 "[ . 1 . 2 ]" 1
675 1 72 ILE H 1 74 ILE QG 0.000 . 5.800 3.905 3.849 3.929 . 0 0 "[ . 1 . 2 ]" 1
676 1 69 ARG HA 1 73 GLY H 0.000 . 4.500 4.527 4.516 4.544 0.044 19 0 "[ . 1 . 2 ]" 1
677 1 70 ASP HA 1 73 GLY H 0.000 . 3.500 3.441 3.401 3.476 . 0 0 "[ . 1 . 2 ]" 1
678 1 74 ILE MG 1 78 GLU H 0.000 . 5.800 4.311 4.208 4.400 . 0 0 "[ . 1 . 2 ]" 1
679 1 76 PRO HA 1 78 GLU H 0.000 . 4.000 3.545 3.491 3.593 . 0 0 "[ . 1 . 2 ]" 1
680 1 84 LEU HA 1 86 GLY H 0.000 . 5.000 4.057 4.008 4.104 . 0 0 "[ . 1 . 2 ]" 1
681 1 84 LEU MD2 1 86 GLY H 0.000 . 4.800 3.558 3.476 3.604 . 0 0 "[ . 1 . 2 ]" 1
682 1 86 GLY QA 1 88 TYR QE 0.000 . 4.000 3.878 3.836 3.891 . 0 0 "[ . 1 . 2 ]" 1
683 1 2 ASP H 1 85 LEU QD 0.000 . 5.500 4.094 4.090 4.100 . 0 0 "[ . 1 . 2 ]" 1
684 1 3 VAL HA 1 85 LEU HA 0.000 . 3.200 3.113 2.919 3.219 0.019 1 0 "[ . 1 . 2 ]" 1
685 1 3 VAL MG2 1 83 LEU HA 0.000 . 4.000 2.489 2.395 2.606 . 0 0 "[ . 1 . 2 ]" 1
686 1 3 VAL MG2 1 83 LEU HB3 0.000 . 3.200 1.851 1.827 1.925 . 0 0 "[ . 1 . 2 ]" 1
687 1 4 LEU HB2 1 84 LEU HB3 0.000 . 5.000 2.184 2.075 2.287 . 0 0 "[ . 1 . 2 ]" 1
688 1 4 LEU HB2 1 84 LEU HB2 0.000 . 4.000 2.652 2.485 2.745 . 0 0 "[ . 1 . 2 ]" 1
689 1 4 LEU QD 1 84 LEU MD2 0.000 . 4.800 3.306 3.298 3.323 . 0 0 "[ . 1 . 2 ]" 1
690 1 4 LEU QD 1 86 GLY QA . 4.000 4.000 1.903 1.879 1.964 2.121 1 22 [+**-******************] 1
691 1 4 LEU QD 1 87 HIS QB 0.000 . 4.000 2.738 2.549 2.957 . 0 0 "[ . 1 . 2 ]" 1
692 1 4 LEU QD 1 87 HIS HD2 0.000 . 4.000 2.143 1.936 2.487 . 0 0 "[ . 1 . 2 ]" 1
693 1 4 LEU H 1 84 LEU HB3 0.000 . 4.000 3.126 3.062 3.192 . 0 0 "[ . 1 . 2 ]" 1
694 1 4 LEU H 1 84 LEU HB2 0.000 . 4.000 2.933 2.819 3.028 . 0 0 "[ . 1 . 2 ]" 1
695 1 4 LEU H 1 85 LEU HA 0.000 . 4.000 3.770 3.645 3.879 . 0 0 "[ . 1 . 2 ]" 1
696 1 5 ALA MB 1 23 THR HA 0.000 . 4.800 4.012 4.000 4.046 . 0 0 "[ . 1 . 2 ]" 1
697 1 5 ALA MB 1 26 PHE HD2 0.000 . 3.500 2.362 2.079 2.907 . 0 0 "[ . 1 . 2 ]" 1
698 1 5 ALA MB 1 84 LEU QB 0.000 . 4.800 2.850 2.807 2.895 . 0 0 "[ . 1 . 2 ]" 1
699 1 5 ALA H 1 83 LEU HA 0.000 . 5.000 4.516 4.466 4.582 . 0 0 "[ . 1 . 2 ]" 1
700 1 5 ALA H 1 84 LEU HB3 0.000 . 4.000 3.575 3.536 3.600 . 0 0 "[ . 1 . 2 ]" 1
701 1 5 ALA H 1 84 LEU HB2 0.000 . 2.700 2.204 2.151 2.224 . 0 0 "[ . 1 . 2 ]" 1
702 1 5 ALA H 1 84 LEU MD1 0.000 . 4.000 3.221 3.144 3.285 . 0 0 "[ . 1 . 2 ]" 1
703 1 5 ALA H 1 84 LEU MD2 0.000 . 5.800 4.868 4.853 4.883 . 0 0 "[ . 1 . 2 ]" 1
704 1 5 ALA H 1 84 LEU H 0.000 . 3.500 2.874 2.818 2.938 . 0 0 "[ . 1 . 2 ]" 1
705 1 6 LYS HA 1 82 VAL HB 0.000 . 5.000 4.842 4.756 4.883 . 0 0 "[ . 1 . 2 ]" 1
706 1 7 PHE HE2 1 17 ILE MD 0.000 . 4.000 3.105 3.020 3.238 . 0 0 "[ . 1 . 2 ]" 1
707 1 7 PHE HE2 1 19 ILE MD 0.000 . 4.000 3.412 3.405 3.422 . 0 0 "[ . 1 . 2 ]" 1
708 1 7 PHE H 1 81 GLU HA 0.000 . 5.000 5.028 5.006 5.047 0.047 1 0 "[ . 1 . 2 ]" 1
709 1 7 PHE H 1 81 GLU QG 0.000 . 4.800 4.154 4.083 4.229 . 0 0 "[ . 1 . 2 ]" 1
710 1 7 PHE H 1 82 VAL HB 0.000 . 4.000 3.224 3.201 3.243 . 0 0 "[ . 1 . 2 ]" 1
711 1 7 PHE H 1 82 VAL MG1 0.000 . 4.800 4.042 4.025 4.049 . 0 0 "[ . 1 . 2 ]" 1
712 1 7 PHE H 1 82 VAL H 0.000 . 3.500 3.288 3.262 3.320 . 0 0 "[ . 1 . 2 ]" 1
713 1 7 PHE H 1 83 LEU HA 0.000 . 4.000 4.032 4.019 4.047 0.047 14 0 "[ . 1 . 2 ]" 1
714 1 8 HIS HA 1 81 GLU HA 0.000 . 2.700 2.537 2.492 2.595 . 0 0 "[ . 1 . 2 ]" 1
715 1 8 HIS HA 1 81 GLU QB 0.000 . 5.800 4.475 4.423 4.542 . 0 0 "[ . 1 . 2 ]" 1
716 1 8 HIS HA 1 81 GLU QG 0.000 . 5.800 3.962 3.857 4.073 . 0 0 "[ . 1 . 2 ]" 1
717 1 8 HIS HA 1 82 VAL MG2 0.000 . 4.800 3.310 3.234 3.395 . 0 0 "[ . 1 . 2 ]" 1
718 1 8 HIS QB 1 79 VAL MG2 0.000 . 4.800 2.689 2.613 2.801 . 0 0 "[ . 1 . 2 ]" 1
719 1 9 THR MG 1 82 VAL MG2 0.000 . 4.800 2.008 1.968 2.058 . 0 0 "[ . 1 . 2 ]" 1
720 1 9 THR H 1 79 VAL HA 0.000 . 5.000 4.447 4.405 4.500 . 0 0 "[ . 1 . 2 ]" 1
721 1 9 THR H 1 79 VAL MG2 0.000 . 4.800 3.187 3.063 3.320 . 0 0 "[ . 1 . 2 ]" 1
722 1 9 THR H 1 80 ILE QG 0.000 . 4.800 3.149 3.032 3.213 . 0 0 "[ . 1 . 2 ]" 1
723 1 9 THR H 1 80 ILE H 0.000 . 3.500 3.186 3.099 3.225 . 0 0 "[ . 1 . 2 ]" 1
724 1 9 THR H 1 81 GLU HA 0.000 . 4.000 3.844 3.780 3.903 . 0 0 "[ . 1 . 2 ]" 1
725 1 10 THR HA 1 79 VAL HA 0.000 . 3.200 2.074 2.032 2.100 . 0 0 "[ . 1 . 2 ]" 1
726 1 10 THR MG 1 77 GLY HA2 0.000 . 4.000 2.671 2.650 2.696 . 0 0 "[ . 1 . 2 ]" 1
727 1 10 THR H 1 80 ILE QG 0.000 . 5.800 4.876 4.770 4.948 . 0 0 "[ . 1 . 2 ]" 1
728 1 11 VAL H 1 79 VAL HA 0.000 . 4.000 4.001 3.947 4.018 0.018 14 0 "[ . 1 . 2 ]" 1
729 1 11 VAL H 1 80 ILE QG 0.000 . 5.800 4.257 4.183 4.311 . 0 0 "[ . 1 . 2 ]" 1
730 1 11 VAL H 1 80 ILE MG 0.000 . 4.800 3.950 3.837 4.019 . 0 0 "[ . 1 . 2 ]" 1
731 1 12 HIS H 1 17 ILE HA 0.000 . 5.000 3.765 3.675 3.826 . 0 0 "[ . 1 . 2 ]" 1
732 1 12 HIS H 1 17 ILE MG 0.000 . 5.800 2.778 2.631 2.920 . 0 0 "[ . 1 . 2 ]" 1
733 1 16 ARG HA 1 63 ILE HA 0.000 . 2.700 2.402 2.345 2.543 . 0 0 "[ . 1 . 2 ]" 1
734 1 11 VAL MG1 1 16 ARG H 0.000 . 5.800 4.021 3.915 4.058 . 0 0 "[ . 1 . 2 ]" 1
735 1 7 PHE HZ 1 17 ILE MD 0.000 . 4.000 3.373 3.361 3.385 . 0 0 "[ . 1 . 2 ]" 1
736 1 17 ILE QG 1 63 ILE HA 0.000 . 4.800 3.942 3.895 4.006 . 0 0 "[ . 1 . 2 ]" 1
737 1 11 VAL HA 1 17 ILE MG 0.000 . 3.500 2.142 2.021 2.271 . 0 0 "[ . 1 . 2 ]" 1
738 1 17 ILE H 1 62 VAL MG1 0.000 . 4.000 3.210 3.146 3.324 . 0 0 "[ . 1 . 2 ]" 1
739 1 17 ILE H 1 63 ILE HA 0.000 . 3.500 3.510 3.467 3.535 0.035 18 0 "[ . 1 . 2 ]" 1
740 1 18 ILE MD 1 61 SER HA 0.000 . 4.000 2.040 1.982 2.110 . 0 0 "[ . 1 . 2 ]" 1
741 1 18 ILE MD 1 61 SER QB 0.000 . 4.800 2.098 1.866 2.428 . 0 0 "[ . 1 . 2 ]" 1
742 1 18 ILE MG 1 60 GLY QA 0.000 . 4.800 3.597 3.588 3.603 . 0 0 "[ . 1 . 2 ]" 1
743 1 7 PHE HE2 1 19 ILE HA 0.000 . 3.200 2.962 2.694 3.097 . 0 0 "[ . 1 . 2 ]" 1
744 1 19 ILE HB 1 24 ARG QD 0.000 . 3.500 3.249 3.238 3.258 . 0 0 "[ . 1 . 2 ]" 1
745 1 19 ILE H 1 60 GLY HA3 0.000 . 4.000 3.886 3.798 3.961 . 0 0 "[ . 1 . 2 ]" 1
746 1 19 ILE H 1 61 SER HA 0.000 . 3.500 3.529 3.505 3.547 0.047 17 0 "[ . 1 . 2 ]" 1
747 1 5 ALA MB 1 23 THR MG 0.000 . 4.800 2.412 2.354 2.474 . 0 0 "[ . 1 . 2 ]" 1
748 1 24 ARG HA 1 29 ILE HB 0.000 . 2.700 2.695 2.584 2.725 0.025 5 0 "[ . 1 . 2 ]" 1
749 1 24 ARG HA 1 29 ILE MD 0.000 . 3.500 2.057 2.006 2.112 . 0 0 "[ . 1 . 2 ]" 1
750 1 24 ARG HA 1 29 ILE QG 0.000 . 4.800 2.934 2.796 3.207 . 0 0 "[ . 1 . 2 ]" 1
751 1 19 ILE HB 1 24 ARG HE 0.000 . 4.000 2.902 2.868 2.926 . 0 0 "[ . 1 . 2 ]" 1
752 1 19 ILE MG 1 24 ARG HE 0.000 . 4.000 3.341 3.333 3.348 . 0 0 "[ . 1 . 2 ]" 1
753 1 24 ARG HE 1 60 GLY QA 0.000 . 4.000 3.076 2.940 3.148 . 0 0 "[ . 1 . 2 ]" 1
754 1 24 ARG QG 1 29 ILE MD 0.000 . 4.800 2.919 2.788 3.179 . 0 0 "[ . 1 . 2 ]" 1
755 1 19 ILE MD 1 24 ARG H 0.000 . 5.800 4.817 4.755 4.848 . 0 0 "[ . 1 . 2 ]" 1
756 1 19 ILE MG 1 24 ARG H 0.000 . 4.800 2.911 2.862 2.966 . 0 0 "[ . 1 . 2 ]" 1
757 1 24 ARG QB 1 29 ILE HB 0.000 . 4.800 2.413 2.235 2.648 . 0 0 "[ . 1 . 2 ]" 1
758 1 29 ILE MD 1 35 VAL MG2 0.000 . 4.800 3.372 3.364 3.384 . 0 0 "[ . 1 . 2 ]" 1
759 1 24 ARG HA 1 29 ILE H 0.000 . 4.000 3.454 3.316 3.537 . 0 0 "[ . 1 . 2 ]" 1
760 1 30 GLU H 1 35 VAL MG1 0.000 . 5.800 4.895 4.878 4.912 . 0 0 "[ . 1 . 2 ]" 1
761 1 31 GLN HA 1 56 VAL HB 0.000 . 4.000 2.927 2.750 3.019 . 0 0 "[ . 1 . 2 ]" 1
762 1 31 GLN HA 1 56 VAL MG1 0.000 . 3.500 2.540 2.229 2.637 . 0 0 "[ . 1 . 2 ]" 1
763 1 31 GLN HA 1 57 GLY HA2 0.000 . 4.000 4.002 3.945 4.029 0.029 11 0 "[ . 1 . 2 ]" 1
764 1 31 GLN QG 1 57 GLY HA2 0.000 . 4.000 3.153 2.584 3.600 . 0 0 "[ . 1 . 2 ]" 1
765 1 31 GLN H 1 56 VAL MG1 0.000 . 4.800 3.635 3.469 3.717 . 0 0 "[ . 1 . 2 ]" 1
766 1 32 GLY H 1 55 ARG QD 0.000 . 4.800 4.296 4.279 4.311 . 0 0 "[ . 1 . 2 ]" 1
767 1 32 GLY H 1 56 VAL MG2 0.000 . 5.800 4.610 4.522 4.688 . 0 0 "[ . 1 . 2 ]" 1
768 1 32 GLY H 1 56 VAL MG1 0.000 . 4.800 3.831 3.712 3.881 . 0 0 "[ . 1 . 2 ]" 1
769 1 32 GLY H 1 56 VAL H 0.000 . 4.000 3.781 3.704 3.872 . 0 0 "[ . 1 . 2 ]" 1
770 1 33 ASP H 1 55 ARG QG 0.000 . 4.800 3.961 3.850 4.024 . 0 0 "[ . 1 . 2 ]" 1
771 1 33 ASP H 1 56 VAL HB 0.000 . 3.200 2.945 2.891 2.985 . 0 0 "[ . 1 . 2 ]" 1
772 1 33 ASP H 1 56 VAL MG1 0.000 . 4.800 4.068 4.049 4.088 . 0 0 "[ . 1 . 2 ]" 1
773 1 33 ASP H 1 56 VAL MG2 0.000 . 5.800 3.887 3.785 3.961 . 0 0 "[ . 1 . 2 ]" 1
774 1 34 PHE HA 1 55 ARG HA 0.000 . 2.700 2.223 2.166 2.324 . 0 0 "[ . 1 . 2 ]" 1
775 1 34 PHE H 1 88 TYR H 0.000 . 3.500 3.617 3.600 3.643 0.143 19 0 "[ . 1 . 2 ]" 1
776 1 34 PHE H 1 89 LYS HA 0.000 . 4.000 3.579 3.420 3.907 . 0 0 "[ . 1 . 2 ]" 1
777 1 34 PHE H 1 90 PRO QD 0.000 . 4.800 3.750 2.895 4.185 . 0 0 "[ . 1 . 2 ]" 1
778 1 35 VAL HA 1 87 HIS HA 0.000 . 2.700 2.096 2.038 2.157 . 0 0 "[ . 1 . 2 ]" 1
779 1 35 VAL HB 1 87 HIS HA 0.000 . 4.000 3.988 3.951 4.008 0.008 2 0 "[ . 1 . 2 ]" 1
780 1 29 ILE MD 1 35 VAL MG1 0.000 . 4.300 2.923 2.530 2.984 . 0 0 "[ . 1 . 2 ]" 1
781 1 35 VAL MG1 1 87 HIS HA 0.000 . 4.800 3.221 3.120 3.282 . 0 0 "[ . 1 . 2 ]" 1
782 1 35 VAL MG1 1 87 HIS QB 0.000 . 4.300 3.182 3.009 3.206 . 0 0 "[ . 1 . 2 ]" 1
783 1 35 VAL H 1 53 THR HA 0.000 . 5.000 4.989 4.944 5.010 0.010 16 0 "[ . 1 . 2 ]" 1
784 1 35 VAL H 1 53 THR MG 0.000 . 5.800 3.669 3.628 3.709 . 0 0 "[ . 1 . 2 ]" 1
785 1 35 VAL H 1 54 ALA HA 0.000 . 5.000 5.085 5.071 5.093 0.093 3 0 "[ . 1 . 2 ]" 1
786 1 35 VAL H 1 54 ALA MB 0.000 . 5.800 4.055 4.015 4.091 . 0 0 "[ . 1 . 2 ]" 1
787 1 35 VAL H 1 54 ALA H 0.000 . 3.500 3.269 3.237 3.291 . 0 0 "[ . 1 . 2 ]" 1
788 1 35 VAL H 1 55 ARG HA 0.000 . 4.000 3.377 3.289 3.441 . 0 0 "[ . 1 . 2 ]" 1
789 1 35 VAL H 1 55 ARG QG 0.000 . 5.800 4.997 4.868 5.106 . 0 0 "[ . 1 . 2 ]" 1
790 1 35 VAL H 1 87 HIS HA 0.000 . 5.000 4.922 4.863 4.993 . 0 0 "[ . 1 . 2 ]" 1
791 1 36 GLU HA 1 53 THR HA 0.000 . 2.700 2.246 2.196 2.316 . 0 0 "[ . 1 . 2 ]" 1
792 1 36 GLU H 1 85 LEU HB2 0.000 . 5.000 4.898 4.747 5.009 0.009 12 0 "[ . 1 . 2 ]" 1
793 1 36 GLU H 1 53 THR MG 0.000 . 5.800 4.510 4.466 4.632 . 0 0 "[ . 1 . 2 ]" 1
794 1 36 GLU H 1 84 LEU HB3 0.000 . 5.000 5.073 5.059 5.107 0.107 1 0 "[ . 1 . 2 ]" 1
795 1 36 GLU H 1 84 LEU MD2 0.000 . 4.000 3.353 3.347 3.360 . 0 0 "[ . 1 . 2 ]" 1
796 1 36 GLU H 1 85 LEU H 0.000 . 4.000 4.078 4.055 4.087 0.087 17 0 "[ . 1 . 2 ]" 1
797 1 36 GLU H 1 86 GLY QA 0.000 . 5.800 3.950 3.866 3.992 . 0 0 "[ . 1 . 2 ]" 1
798 1 36 GLU H 1 86 GLY H 0.000 . 3.500 2.986 2.948 3.009 . 0 0 "[ . 1 . 2 ]" 1
799 1 36 GLU H 1 87 HIS HA 0.000 . 3.500 3.041 2.960 3.131 . 0 0 "[ . 1 . 2 ]" 1
800 1 37 ILE MD 1 84 LEU HA 0.000 . 4.000 3.158 3.019 3.217 . 0 0 "[ . 1 . 2 ]" 1
801 1 37 ILE MG 1 52 PHE HD1 0.000 . 4.000 3.333 3.323 3.339 . 0 0 "[ . 1 . 2 ]" 1
802 1 37 ILE MG 1 53 THR HA 0.000 . 4.800 3.715 3.682 3.770 . 0 0 "[ . 1 . 2 ]" 1
803 1 37 ILE H 1 51 THR MG 0.000 . 4.800 4.031 4.023 4.037 . 0 0 "[ . 1 . 2 ]" 1
804 1 37 ILE H 1 52 PHE H 0.000 . 3.500 3.522 3.502 3.541 0.041 22 0 "[ . 1 . 2 ]" 1
805 1 37 ILE H 1 53 THR HA 0.000 . 3.500 3.237 3.190 3.289 . 0 0 "[ . 1 . 2 ]" 1
806 1 38 LYS HA 1 51 THR MG 0.000 . 4.800 3.090 2.969 3.185 . 0 0 "[ . 1 . 2 ]" 1
807 1 38 LYS QB 1 51 THR MG 0.000 . 4.800 2.043 1.934 2.338 . 0 0 "[ . 1 . 2 ]" 1
808 1 38 LYS QG 1 51 THR MG 0.000 . 4.800 2.576 1.940 2.888 . 0 0 "[ . 1 . 2 ]" 1
809 1 38 LYS H 1 82 VAL MG1 0.000 . 4.800 3.674 3.593 3.756 . 0 0 "[ . 1 . 2 ]" 1
810 1 38 LYS H 1 83 LEU H 0.000 . 3.500 3.227 3.190 3.268 . 0 0 "[ . 1 . 2 ]" 1
811 1 38 LYS H 1 84 LEU HA 0.000 . 3.500 3.507 3.464 3.519 0.019 5 0 "[ . 1 . 2 ]" 1
812 1 38 LYS H 1 85 LEU QB 0.000 . 4.800 4.313 4.303 4.324 . 0 0 "[ . 1 . 2 ]" 1
813 1 39 ILE HA 1 82 VAL HA 0.000 . 3.200 2.375 2.341 2.406 . 0 0 "[ . 1 . 2 ]" 1
814 1 39 ILE HB 1 80 ILE MD 0.000 . 4.000 1.964 1.939 2.061 . 0 0 "[ . 1 . 2 ]" 1
815 1 39 ILE MG 1 52 PHE HE1 0.000 . 4.000 2.914 2.770 3.061 . 0 0 "[ . 1 . 2 ]" 1
816 1 39 ILE MG 1 80 ILE HB 0.000 . 4.800 4.057 4.049 4.066 . 0 0 "[ . 1 . 2 ]" 1
817 1 39 ILE MG 1 80 ILE MD 0.000 . 4.300 1.964 1.881 2.081 . 0 0 "[ . 1 . 2 ]" 1
818 1 39 ILE MG 1 82 VAL HA 0.000 . 4.000 3.079 2.825 3.159 . 0 0 "[ . 1 . 2 ]" 1
819 1 39 ILE H 1 50 GLY HA3 0.000 . 4.000 4.088 4.071 4.106 0.106 10 0 "[ . 1 . 2 ]" 1
820 1 39 ILE H 1 50 GLY H 0.000 . 3.500 2.974 2.890 3.127 . 0 0 "[ . 1 . 2 ]" 1
821 1 39 ILE H 1 51 THR HA 0.000 . 3.500 3.526 3.420 3.553 0.053 15 0 "[ . 1 . 2 ]" 1
822 1 39 ILE H 1 51 THR MG 0.000 . 5.800 4.708 4.584 4.809 . 0 0 "[ . 1 . 2 ]" 1
823 1 40 VAL HB 1 81 GLU QB 0.000 . 4.800 3.181 3.091 3.269 . 0 0 "[ . 1 . 2 ]" 1
824 1 40 VAL MG1 1 47 PRO QB 0.000 . 4.300 3.210 3.197 3.229 . 0 0 "[ . 1 . 2 ]" 1
825 1 40 VAL MG2 1 49 GLU QB 0.000 . 4.800 2.740 2.244 3.386 . 0 0 "[ . 1 . 2 ]" 1
826 1 40 VAL MG2 1 49 GLU QG 0.000 . 5.600 2.609 2.071 4.175 . 0 0 "[ . 1 . 2 ]" 1
827 1 40 VAL H 1 81 GLU QB 0.000 . 4.800 3.761 3.700 3.820 . 0 0 "[ . 1 . 2 ]" 1
828 1 40 VAL H 1 81 GLU H 0.000 . 4.000 3.290 3.232 3.332 . 0 0 "[ . 1 . 2 ]" 1
829 1 40 VAL H 1 82 VAL HA 0.000 . 4.000 3.654 3.596 3.711 . 0 0 "[ . 1 . 2 ]" 1
830 1 41 LYS QB 1 80 ILE MG 0.000 . 4.800 1.878 1.849 2.043 . 0 0 "[ . 1 . 2 ]" 1
831 1 41 LYS QG 1 80 ILE MG 0.000 . 4.800 2.361 2.193 2.758 . 0 0 "[ . 1 . 2 ]" 1
832 1 42 TYR HE1 1 47 PRO HA 0.000 . 4.000 3.835 3.244 4.012 0.012 19 0 "[ . 1 . 2 ]" 1
833 1 42 TYR HE1 1 47 PRO QB 0.000 . 4.000 3.427 2.439 3.583 . 0 0 "[ . 1 . 2 ]" 1
834 1 42 TYR HE1 1 47 PRO HD3 0.000 . 3.200 2.338 1.996 2.450 . 0 0 "[ . 1 . 2 ]" 1
835 1 42 TYR HE1 1 47 PRO HD2 0.000 . 4.000 3.932 3.632 4.022 0.022 8 0 "[ . 1 . 2 ]" 1
836 1 42 TYR HE1 1 47 PRO HG3 0.000 . 4.000 2.266 1.996 2.810 . 0 0 "[ . 1 . 2 ]" 1
837 1 42 TYR HE1 1 47 PRO HG2 0.000 . 4.000 3.831 3.559 4.032 0.032 9 0 "[ . 1 . 2 ]" 1
838 1 42 TYR H 1 80 ILE HA 0.000 . 5.000 5.040 4.969 5.064 0.064 21 0 "[ . 1 . 2 ]" 1
839 1 42 TYR H 1 80 ILE MG 0.000 . 5.800 4.854 4.825 4.874 . 0 0 "[ . 1 . 2 ]" 1
840 1 42 TYR HA 1 47 PRO HA 0.000 . 2.700 2.077 1.994 2.191 . 0 0 "[ . 1 . 2 ]" 1
841 1 41 LYS H 1 48 LYS HB2 0.000 . 5.000 3.810 3.633 4.112 . 0 0 "[ . 1 . 2 ]" 1
842 1 42 TYR HA 1 48 LYS HB2 0.000 . 5.000 4.771 4.621 4.985 . 0 0 "[ . 1 . 2 ]" 1
843 1 48 LYS HB2 1 72 ILE MG 0.000 . 4.800 2.130 1.981 2.247 . 0 0 "[ . 1 . 2 ]" 1
844 1 48 LYS QD 1 72 ILE MG 0.000 . 4.800 3.444 2.873 3.602 . 0 0 "[ . 1 . 2 ]" 1
845 1 48 LYS QG 1 72 ILE MG 0.000 . 4.800 3.234 2.984 3.597 . 0 0 "[ . 1 . 2 ]" 1
846 1 40 VAL HA 1 48 LYS H 0.000 . 5.000 4.928 4.797 5.005 0.005 20 0 "[ . 1 . 2 ]" 1
847 1 40 VAL MG1 1 48 LYS H 0.000 . 5.800 4.068 3.917 4.208 . 0 0 "[ . 1 . 2 ]" 1
848 1 41 LYS QB 1 48 LYS H 0.000 . 5.800 4.126 3.950 4.308 . 0 0 "[ . 1 . 2 ]" 1
849 1 41 LYS H 1 48 LYS H 0.000 . 3.500 3.395 3.273 3.483 . 0 0 "[ . 1 . 2 ]" 1
850 1 42 TYR HA 1 48 LYS H 0.000 . 3.500 2.982 2.862 3.159 . 0 0 "[ . 1 . 2 ]" 1
851 1 43 GLU QG 1 48 LYS H 0.000 . 5.800 3.943 3.507 4.329 . 0 0 "[ . 1 . 2 ]" 1
852 1 40 VAL HA 1 49 GLU HA 0.000 . 2.700 2.402 2.311 2.502 . 0 0 "[ . 1 . 2 ]" 1
853 1 40 VAL MG2 1 49 GLU HA 0.000 . 4.000 3.188 3.085 3.339 . 0 0 "[ . 1 . 2 ]" 1
854 1 49 GLU H 1 72 ILE MD 0.000 . 4.800 4.038 4.023 4.052 . 0 0 "[ . 1 . 2 ]" 1
855 1 50 GLY HA3 1 68 LEU MD1 0.000 . 4.800 2.819 2.641 3.050 . 0 0 "[ . 1 . 2 ]" 1
856 1 38 LYS QG 1 50 GLY H 0.000 . 4.800 2.940 2.835 3.353 . 0 0 "[ . 1 . 2 ]" 1
857 1 39 ILE HB 1 50 GLY H 0.000 . 5.000 4.955 4.903 5.012 0.012 22 0 "[ . 1 . 2 ]" 1
858 1 39 ILE MD 1 50 GLY H 0.000 . 4.800 4.023 4.010 4.027 . 0 0 "[ . 1 . 2 ]" 1
859 1 39 ILE QG 1 50 GLY H 0.000 . 4.800 2.555 2.521 2.602 . 0 0 "[ . 1 . 2 ]" 1
860 1 40 VAL HA 1 50 GLY H 0.000 . 4.000 3.962 3.901 4.007 0.007 9 0 "[ . 1 . 2 ]" 1
861 1 50 GLY H 1 72 ILE MD 0.000 . 4.800 3.291 3.107 3.453 . 0 0 "[ . 1 . 2 ]" 1
862 1 38 LYS HA 1 51 THR HA 0.000 . 2.700 2.116 2.071 2.147 . 0 0 "[ . 1 . 2 ]" 1
863 1 38 LYS QB 1 51 THR HA 0.000 . 4.000 3.227 3.105 3.584 . 0 0 "[ . 1 . 2 ]" 1
864 1 38 LYS QD 1 51 THR HA 0.000 . 5.800 4.010 3.795 4.262 . 0 0 "[ . 1 . 2 ]" 1
865 1 38 LYS QG 1 51 THR HA 0.000 . 4.000 2.309 2.280 2.377 . 0 0 "[ . 1 . 2 ]" 1
866 1 51 THR HB 1 68 LEU MD1 0.000 . 5.800 4.531 4.388 4.659 . 0 0 "[ . 1 . 2 ]" 1
867 1 36 GLU QG 1 51 THR MG 0.000 . 5.600 3.252 3.193 3.308 . 0 0 "[ . 1 . 2 ]" 1
868 1 38 LYS QE 1 51 THR MG 0.000 . 4.800 3.524 3.401 3.585 . 0 0 "[ . 1 . 2 ]" 1
869 1 38 LYS HA 1 51 THR H 0.000 . 5.000 4.783 4.752 4.804 . 0 0 "[ . 1 . 2 ]" 1
870 1 51 THR H 1 68 LEU MD2 0.000 . 4.800 3.172 3.006 3.306 . 0 0 "[ . 1 . 2 ]" 1
871 1 52 PHE HE2 1 62 VAL MG2 0.000 . 4.000 2.804 2.749 2.866 . 0 0 "[ . 1 . 2 ]" 1
872 1 52 PHE HE1 1 64 ILE MD 0.000 . 4.800 3.876 3.680 3.998 . 0 0 "[ . 1 . 2 ]" 1
873 1 36 GLU QG 1 52 PHE H 0.000 . 5.800 4.237 4.197 4.286 . 0 0 "[ . 1 . 2 ]" 1
874 1 37 ILE QG 1 52 PHE H 0.000 . 5.800 5.181 5.173 5.188 . 0 0 "[ . 1 . 2 ]" 1
875 1 37 ILE MG 1 52 PHE H 0.000 . 4.800 3.464 3.392 3.499 . 0 0 "[ . 1 . 2 ]" 1
876 1 38 LYS HA 1 52 PHE H 0.000 . 3.500 3.362 3.294 3.487 . 0 0 "[ . 1 . 2 ]" 1
877 1 38 LYS QG 1 52 PHE H 0.000 . 4.800 4.345 4.306 4.367 . 0 0 "[ . 1 . 2 ]" 1
878 1 36 GLU QB 1 53 THR HA 0.000 . 4.800 3.811 3.743 3.896 . 0 0 "[ . 1 . 2 ]" 1
879 1 36 GLU QG 1 53 THR HA 0.000 . 5.800 3.110 3.033 3.192 . 0 0 "[ . 1 . 2 ]" 1
880 1 34 PHE HB3 1 53 THR MG 0.000 . 4.800 3.072 2.999 3.102 . 0 0 "[ . 1 . 2 ]" 1
881 1 34 PHE HB2 1 53 THR MG 0.000 . 5.800 4.432 4.344 4.467 . 0 0 "[ . 1 . 2 ]" 1
882 1 34 PHE QD 1 53 THR MG 0.000 . 3.500 2.923 2.918 2.929 . 0 0 "[ . 1 . 2 ]" 1
883 1 36 GLU HA 1 53 THR MG 0.000 . 4.000 3.075 3.034 3.149 . 0 0 "[ . 1 . 2 ]" 1
884 1 35 VAL MG2 1 54 ALA MB 0.000 . 4.300 2.968 2.867 2.992 . 0 0 "[ . 1 . 2 ]" 1
885 1 54 ALA MB 1 62 VAL MG2 0.000 . 4.300 1.687 1.661 1.716 . 0 0 "[ . 1 . 2 ]" 1
886 1 34 PHE HA 1 54 ALA H 0.000 . 5.000 4.791 4.741 4.830 . 0 0 "[ . 1 . 2 ]" 1
887 1 34 PHE HB3 1 54 ALA H 0.000 . 5.000 4.776 4.719 4.824 . 0 0 "[ . 1 . 2 ]" 1
888 1 35 VAL MG2 1 54 ALA H 0.000 . 4.000 3.328 3.292 3.340 . 0 0 "[ . 1 . 2 ]" 1
889 1 36 GLU HA 1 54 ALA H 0.000 . 3.500 3.315 3.258 3.375 . 0 0 "[ . 1 . 2 ]" 1
890 1 32 GLY HA2 1 55 ARG HE 0.000 . 3.200 2.529 1.994 3.226 0.026 19 0 "[ . 1 . 2 ]" 1
891 1 29 ILE MG 1 56 VAL H 0.000 . 5.800 4.436 4.382 4.504 . 0 0 "[ . 1 . 2 ]" 1
892 1 34 PHE HA 1 56 VAL H 0.000 . 3.500 3.418 3.363 3.479 . 0 0 "[ . 1 . 2 ]" 1
893 1 56 VAL MG1 1 60 GLY H 0.000 . 4.800 3.495 3.454 3.540 . 0 0 "[ . 1 . 2 ]" 1
894 1 18 ILE HA 1 61 SER HA 0.000 . 2.700 2.321 2.279 2.361 . 0 0 "[ . 1 . 2 ]" 1
895 1 56 VAL MG1 1 61 SER H 0.000 . 4.800 4.053 4.041 4.062 . 0 0 "[ . 1 . 2 ]" 1
896 1 17 ILE QG 1 62 VAL H 0.000 . 4.800 2.986 2.943 3.025 . 0 0 "[ . 1 . 2 ]" 1
897 1 18 ILE HA 1 62 VAL H 0.000 . 3.500 3.518 3.508 3.531 0.031 16 0 "[ . 1 . 2 ]" 1
898 1 15 GLY HA3 1 64 ILE H 0.000 . 4.000 3.953 3.854 4.008 0.008 20 0 "[ . 1 . 2 ]" 1
899 1 16 ARG HA 1 64 ILE H 0.000 . 3.500 3.460 3.433 3.502 0.002 22 0 "[ . 1 . 2 ]" 1
900 1 16 ARG QB 1 64 ILE H 0.000 . 5.800 5.193 5.184 5.211 . 0 0 "[ . 1 . 2 ]" 1
901 1 17 ILE QG 1 64 ILE H 0.000 . 5.800 3.947 3.818 4.043 . 0 0 "[ . 1 . 2 ]" 1
902 1 15 GLY HA3 1 69 ARG HE 0.000 . 4.000 2.624 2.560 2.679 . 0 0 "[ . 1 . 2 ]" 1
903 1 64 ILE HB 1 69 ARG HE 0.000 . 4.000 3.062 3.017 3.122 . 0 0 "[ . 1 . 2 ]" 1
904 1 64 ILE MG 1 69 ARG HE 0.000 . 4.000 3.327 3.252 3.341 . 0 0 "[ . 1 . 2 ]" 1
905 1 64 ILE MG 1 69 ARG H 0.000 . 5.800 3.497 3.415 3.591 . 0 0 "[ . 1 . 2 ]" 1
906 1 49 GLU HA 1 72 ILE MD 0.000 . 4.000 3.317 3.203 3.371 . 0 0 "[ . 1 . 2 ]" 1
907 1 50 GLY QA 1 72 ILE MD 0.000 . 4.000 2.052 1.888 2.196 . 0 0 "[ . 1 . 2 ]" 1
908 1 69 ARG HA 1 74 ILE H 0.000 . 4.000 3.646 3.581 3.688 . 0 0 "[ . 1 . 2 ]" 1
909 1 11 VAL MG2 1 75 LYS H 0.000 . 4.800 4.037 4.029 4.049 . 0 0 "[ . 1 . 2 ]" 1
910 1 10 THR MG 1 77 GLY H 0.000 . 4.000 3.047 2.978 3.103 . 0 0 "[ . 1 . 2 ]" 1
911 1 12 HIS HA 1 77 GLY H 0.000 . 4.000 3.795 3.727 3.870 . 0 0 "[ . 1 . 2 ]" 1
912 1 12 HIS HE1 1 77 GLY H 0.000 . 5.000 5.018 5.014 5.020 0.020 17 0 "[ . 1 . 2 ]" 1
913 1 10 THR HB 1 78 GLU H 0.000 . 5.000 5.059 5.053 5.064 0.064 14 0 "[ . 1 . 2 ]" 1
914 1 10 THR MG 1 78 GLU H 0.000 . 4.800 4.144 4.132 4.153 . 0 0 "[ . 1 . 2 ]" 1
915 1 11 VAL HB 1 78 GLU H 0.000 . 4.000 3.377 3.315 3.425 . 0 0 "[ . 1 . 2 ]" 1
916 1 11 VAL MG2 1 78 GLU H 0.000 . 4.800 3.952 3.853 4.003 . 0 0 "[ . 1 . 2 ]" 1
917 1 8 HIS HA 1 80 ILE H 0.000 . 5.000 4.792 4.697 4.834 . 0 0 "[ . 1 . 2 ]" 1
918 1 9 THR MG 1 80 ILE H 0.000 . 5.800 3.746 3.699 3.780 . 0 0 "[ . 1 . 2 ]" 1
919 1 8 HIS HA 1 81 GLU H 0.000 . 5.000 5.100 5.088 5.117 0.117 9 0 "[ . 1 . 2 ]" 1
920 1 40 VAL HB 1 81 GLU H 0.000 . 4.000 4.036 4.010 4.059 0.059 4 0 "[ . 1 . 2 ]" 1
921 1 40 VAL MG1 1 81 GLU H 0.000 . 5.800 4.722 4.684 4.790 . 0 0 "[ . 1 . 2 ]" 1
922 1 41 LYS HA 1 81 GLU H 0.000 . 4.000 3.790 3.724 3.855 . 0 0 "[ . 1 . 2 ]" 1
923 1 8 HIS HA 1 82 VAL H 0.000 . 3.500 3.026 2.977 3.092 . 0 0 "[ . 1 . 2 ]" 1
924 1 8 HIS QB 1 82 VAL H 0.000 . 5.800 4.933 4.886 4.995 . 0 0 "[ . 1 . 2 ]" 1
925 1 6 LYS HA 1 83 LEU HA 0.000 . 2.700 2.754 2.713 2.775 0.075 1 0 "[ . 1 . 2 ]" 1
926 1 38 LYS QB 1 83 LEU MD1 0.000 . 4.800 3.602 3.588 3.609 . 0 0 "[ . 1 . 2 ]" 1
927 1 40 VAL MG2 1 83 LEU MD1 0.000 . 4.300 2.967 2.881 2.996 . 0 0 "[ . 1 . 2 ]" 1
928 1 6 LYS HA 1 83 LEU MD2 0.000 . 4.000 2.818 2.732 3.026 . 0 0 "[ . 1 . 2 ]" 1
929 1 38 LYS HA 1 83 LEU H 0.000 . 5.000 5.026 5.011 5.037 0.037 2 0 "[ . 1 . 2 ]" 1
930 1 38 LYS QB 1 83 LEU H 0.000 . 4.800 3.753 3.682 3.819 . 0 0 "[ . 1 . 2 ]" 1
931 1 39 ILE HA 1 83 LEU H 0.000 . 4.000 3.335 3.287 3.400 . 0 0 "[ . 1 . 2 ]" 1
932 1 39 ILE MG 1 83 LEU H 0.000 . 5.800 4.004 3.858 4.084 . 0 0 "[ . 1 . 2 ]" 1
933 1 5 ALA HA 1 84 LEU H 0.000 . 5.000 4.997 4.958 5.018 0.018 21 0 "[ . 1 . 2 ]" 1
934 1 5 ALA MB 1 84 LEU H 0.000 . 4.800 3.842 3.789 3.914 . 0 0 "[ . 1 . 2 ]" 1
935 1 6 LYS HA 1 84 LEU H 0.000 . 4.000 3.692 3.582 3.748 . 0 0 "[ . 1 . 2 ]" 1
936 1 6 LYS QB 1 84 LEU H 0.000 . 5.800 4.680 4.438 4.749 . 0 0 "[ . 1 . 2 ]" 1
937 1 36 GLU QB 1 85 LEU H 0.000 . 4.800 3.718 3.675 3.782 . 0 0 "[ . 1 . 2 ]" 1
938 1 37 ILE HA 1 85 LEU H 0.000 . 3.500 2.383 2.300 2.472 . 0 0 "[ . 1 . 2 ]" 1
939 1 37 ILE HB 1 85 LEU H 0.000 . 5.000 3.941 3.880 3.991 . 0 0 "[ . 1 . 2 ]" 1
940 1 36 GLU HA 1 86 GLY H 0.000 . 5.000 4.730 4.679 4.801 . 0 0 "[ . 1 . 2 ]" 1
941 1 36 GLU QB 1 86 GLY H 0.000 . 3.500 2.506 2.434 2.613 . 0 0 "[ . 1 . 2 ]" 1
942 1 37 ILE HA 1 86 GLY H 0.000 . 4.000 4.152 4.141 4.161 0.161 8 0 "[ . 1 . 2 ]" 1
943 1 4 LEU QD 1 87 HIS H 0.000 . 4.800 3.287 3.110 3.482 . 0 0 "[ . 1 . 2 ]" 1
944 1 35 VAL HA 1 87 HIS H 0.000 . 5.000 4.902 4.864 4.941 . 0 0 "[ . 1 . 2 ]" 1
945 1 34 PHE HB3 1 88 TYR H 0.000 . 4.000 4.013 3.995 4.023 0.023 1 0 "[ . 1 . 2 ]" 1
946 1 34 PHE HB2 1 88 TYR H 0.000 . 4.000 3.276 3.217 3.326 . 0 0 "[ . 1 . 2 ]" 1
947 1 35 VAL HA 1 88 TYR H 0.000 . 3.500 3.097 3.021 3.130 . 0 0 "[ . 1 . 2 ]" 1
948 1 35 VAL MG1 1 88 TYR H 0.000 . 4.800 3.712 3.590 3.782 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 57
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 769.222
_Distance_constraint_stats_list.Viol_max 1.619
_Distance_constraint_stats_list.Viol_rms 0.2087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0279
_Distance_constraint_stats_list.Viol_average_violations_only 1.3448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ILE 0.021 0.008 1 0 "[ . 1 . 2 ]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 GLU 34.944 1.619 8 22 [-******+**************]
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 ASP 34.944 1.619 8 22 [-******+**************]
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 GLY 0.021 0.008 1 0 "[ . 1 . 2 ]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 88 TYR 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 57 GLY H 1 61 SER O 2.100 . 2.500 2.220 2.117 2.255 . 0 0 "[ . 1 . 2 ]" 2
2 1 12 HIS H 1 16 ARG O 2.100 . 2.500 2.288 2.229 2.328 . 0 0 "[ . 1 . 2 ]" 2
3 1 5 ALA O 1 84 LEU H 2.100 . 2.500 2.126 2.086 2.149 . 0 0 "[ . 1 . 2 ]" 2
4 1 7 PHE H 1 82 VAL O 2.100 . 2.500 2.255 2.244 2.263 . 0 0 "[ . 1 . 2 ]" 2
5 1 7 PHE O 1 82 VAL H 2.100 . 2.500 1.961 1.945 1.980 . 0 0 "[ . 1 . 2 ]" 2
6 1 9 THR H 1 80 ILE O 2.100 . 2.500 2.280 2.256 2.308 . 0 0 "[ . 1 . 2 ]" 2
7 1 9 THR O 1 80 ILE H 2.100 . 2.500 1.933 1.899 1.968 . 0 0 "[ . 1 . 2 ]" 2
8 1 34 PHE H 1 88 TYR O 2.100 . 2.500 2.306 2.268 2.357 . 0 0 "[ . 1 . 2 ]" 2
9 1 34 PHE O 1 88 TYR H 2.100 . 2.500 1.866 1.841 1.884 . 0 0 "[ . 1 . 2 ]" 2
10 1 36 GLU H 1 86 GLY O 2.100 . 2.500 1.976 1.921 2.022 . 0 0 "[ . 1 . 2 ]" 2
11 1 36 GLU O 1 85 LEU H 2.100 . 2.500 1.789 1.761 1.809 . 0 0 "[ . 1 . 2 ]" 2
12 1 36 GLU O 1 86 GLY H 2.100 . 2.500 2.262 2.248 2.286 . 0 0 "[ . 1 . 2 ]" 2
13 1 38 LYS H 1 83 LEU O 2.100 . 2.500 1.929 1.908 1.955 . 0 0 "[ . 1 . 2 ]" 2
14 1 38 LYS O 1 83 LEU H 2.100 . 2.500 1.962 1.951 1.972 . 0 0 "[ . 1 . 2 ]" 2
15 1 40 VAL H 1 81 GLU O 2.100 . 2.500 2.175 2.123 2.227 . 0 0 "[ . 1 . 2 ]" 2
16 1 35 VAL H 1 54 ALA O 2.100 . 2.500 2.076 2.055 2.098 . 0 0 "[ . 1 . 2 ]" 2
17 1 35 VAL O 1 54 ALA H 2.100 . 2.500 2.087 2.064 2.106 . 0 0 "[ . 1 . 2 ]" 2
18 1 37 ILE H 1 52 PHE O 2.100 . 2.500 2.249 2.221 2.278 . 0 0 "[ . 1 . 2 ]" 2
19 1 37 ILE O 1 52 PHE H 2.100 . 2.500 2.176 2.141 2.229 . 0 0 "[ . 1 . 2 ]" 2
20 1 39 ILE H 1 50 GLY O 2.100 . 2.500 1.935 1.900 1.948 . 0 0 "[ . 1 . 2 ]" 2
21 1 39 ILE O 1 50 GLY H 2.100 . 2.500 2.234 2.172 2.275 . 0 0 "[ . 1 . 2 ]" 2
22 1 41 LYS H 1 48 LYS O 2.100 . 2.500 2.072 1.999 2.147 . 0 0 "[ . 1 . 2 ]" 2
23 1 41 LYS O 1 48 LYS H 2.100 . 2.500 1.918 1.853 1.985 . 0 0 "[ . 1 . 2 ]" 2
24 1 43 GLU H 1 46 GLU O 2.100 . 2.500 2.356 2.302 2.421 . 0 0 "[ . 1 . 2 ]" 2
25 1 43 GLU O 1 46 GLU H 2.100 . 2.500 2.194 2.142 2.274 . 0 0 "[ . 1 . 2 ]" 2
26 1 17 ILE H 1 62 VAL O 2.100 . 2.500 2.138 2.099 2.213 . 0 0 "[ . 1 . 2 ]" 2
27 1 17 ILE O 1 62 VAL H 2.100 . 2.500 2.095 2.057 2.129 . 0 0 "[ . 1 . 2 ]" 2
28 1 15 GLY O 1 64 ILE H 2.100 . 2.500 2.296 2.241 2.330 . 0 0 "[ . 1 . 2 ]" 2
29 1 19 ILE H 1 60 GLY O 2.100 . 2.500 2.478 2.454 2.508 0.008 1 0 "[ . 1 . 2 ]" 2
30 1 20 PRO O 1 24 ARG H 2.100 . 2.500 2.319 2.290 2.338 . 0 0 "[ . 1 . 2 ]" 2
31 1 21 ALA O 1 25 LYS H 2.100 . 2.500 2.233 2.172 2.315 . 0 0 "[ . 1 . 2 ]" 2
32 1 22 GLY O 1 26 PHE H 2.100 . 2.500 2.289 2.180 2.367 . 0 0 "[ . 1 . 2 ]" 2
33 1 23 THR O 1 27 TYR H 2.100 . 2.500 2.128 2.034 2.162 . 0 0 "[ . 1 . 2 ]" 2
34 1 25 LYS O 1 28 GLY H 2.100 . 2.500 2.291 2.219 2.341 . 0 0 "[ . 1 . 2 ]" 2
35 1 24 ARG O 1 29 ILE H 2.100 . 2.500 2.015 1.964 2.104 . 0 0 "[ . 1 . 2 ]" 2
36 1 66 LYS O 1 70 ASP H 2.100 . 2.500 2.225 2.158 2.265 . 0 0 "[ . 1 . 2 ]" 2
37 1 65 PRO O 1 69 ARG H 2.100 . 2.500 2.331 2.321 2.350 . 0 0 "[ . 1 . 2 ]" 2
38 1 67 ALA O 1 71 VAL H 2.100 . 2.500 2.421 2.398 2.455 . 0 0 "[ . 1 . 2 ]" 2
39 1 68 LEU O 1 72 ILE H 2.100 . 2.500 2.103 2.073 2.145 . 0 0 "[ . 1 . 2 ]" 2
40 1 70 ASP O 1 73 GLY H 2.100 . 2.500 2.365 2.353 2.378 . 0 0 "[ . 1 . 2 ]" 2
41 1 69 ARG O 1 74 ILE H 2.100 . 2.500 2.237 2.170 2.280 . 0 0 "[ . 1 . 2 ]" 2
42 1 30 GLU O 1 33 ASP H 2.100 . 2.500 2.182 2.149 2.202 . 0 0 "[ . 1 . 2 ]" 2
43 1 75 LYS O 1 78 GLU H 2.100 . 2.500 2.369 2.329 2.397 . 0 0 "[ . 1 . 2 ]" 2
44 1 12 HIS O 1 15 GLY H 2.100 . 2.500 2.244 2.229 2.266 . 0 0 "[ . 1 . 2 ]" 2
45 1 13 ARG O 1 16 ARG H 2.100 . 2.500 2.238 2.224 2.250 . 0 0 "[ . 1 . 2 ]" 2
46 1 57 GLY O 1 60 GLY H 2.100 . 2.500 2.469 2.455 2.487 . 0 0 "[ . 1 . 2 ]" 2
47 1 58 GLU O 1 61 SER H 2.100 . 2.500 2.205 2.182 2.228 . 0 0 "[ . 1 . 2 ]" 2
48 1 33 ASP O 1 56 VAL H 2.100 . 2.500 2.046 2.016 2.098 . 0 0 "[ . 1 . 2 ]" 2
49 1 32 GLY H 1 56 VAL O 2.100 . 2.500 2.210 2.144 2.267 . 0 0 "[ . 1 . 2 ]" 2
50 1 11 VAL H 1 78 GLU O 2.100 . 2.500 2.299 2.263 2.321 . 0 0 "[ . 1 . 2 ]" 2
51 1 11 VAL O 1 77 GLY H 2.100 . 2.500 2.096 2.046 2.128 . 0 0 "[ . 1 . 2 ]" 2
52 1 30 GLU H 1 33 ASP OD1 2.100 . 2.500 4.088 4.061 4.119 1.619 8 22 [-******+**************] 2
53 1 75 LYS H 1 78 GLU OE1 2.100 . 2.500 2.074 2.031 2.122 . 0 0 "[ . 1 . 2 ]" 2
54 1 19 ILE O 1 24 ARG HE 2.100 . 2.500 1.961 1.942 1.985 . 0 0 "[ . 1 . 2 ]" 2
55 1 19 ILE O 1 24 ARG HH21 2.100 . 2.500 2.190 2.159 2.208 . 0 0 "[ . 1 . 2 ]" 2
56 1 64 ILE O 1 69 ARG HE 2.100 . 2.500 2.170 2.140 2.202 . 0 0 "[ . 1 . 2 ]" 2
57 1 64 ILE O 1 69 ARG HH21 2.100 . 2.500 2.041 2.017 2.061 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
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