NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586761 |
2mv3   |
25241 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mv3
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 470
_Distance_constraint_stats_list.Viol_count 1672
_Distance_constraint_stats_list.Viol_total 1085.273
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0282
_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 6 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ALA 0.829 0.047 20 0 "[ . 1 . 2 ]"
1 11 THR 0.167 0.036 20 0 "[ . 1 . 2 ]"
1 12 ARG 0.070 0.008 18 0 "[ . 1 . 2 ]"
1 13 GLU 2.388 0.053 15 0 "[ . 1 . 2 ]"
1 14 GLN 1.931 0.046 22 0 "[ . 1 . 2 ]"
1 15 GLU 2.630 0.050 16 0 "[ . 1 . 2 ]"
1 16 ALA 2.357 0.060 1 0 "[ . 1 . 2 ]"
1 17 ASN 3.506 0.060 1 0 "[ . 1 . 2 ]"
1 18 LYS 2.311 0.054 16 0 "[ . 1 . 2 ]"
1 19 ASP 0.790 0.037 16 0 "[ . 1 . 2 ]"
1 20 LEU 0.004 0.004 1 0 "[ . 1 . 2 ]"
1 21 THR 0.718 0.021 2 0 "[ . 1 . 2 ]"
1 22 SER 0.748 0.021 2 0 "[ . 1 . 2 ]"
1 23 PRO 0.583 0.023 15 0 "[ . 1 . 2 ]"
1 24 ASP 0.778 0.029 10 0 "[ . 1 . 2 ]"
1 25 ALA 0.972 0.050 16 0 "[ . 1 . 2 ]"
1 26 GLN 1.026 0.030 22 0 "[ . 1 . 2 ]"
1 27 ALA 2.638 0.080 16 0 "[ . 1 . 2 ]"
1 28 ALA 4.230 0.080 16 0 "[ . 1 . 2 ]"
1 29 PHE 2.258 0.057 11 0 "[ . 1 . 2 ]"
1 30 TYR 4.278 0.057 11 0 "[ . 1 . 2 ]"
1 31 LYS 2.943 0.047 16 0 "[ . 1 . 2 ]"
1 32 LEU 2.085 0.055 20 0 "[ . 1 . 2 ]"
1 33 LEU 3.163 0.055 20 0 "[ . 1 . 2 ]"
1 34 LEU 2.285 0.047 16 0 "[ . 1 . 2 ]"
1 35 GLN 1.136 0.036 23 0 "[ . 1 . 2 ]"
1 36 SER 1.597 0.037 20 0 "[ . 1 . 2 ]"
1 37 ASN 0.936 0.033 23 0 "[ . 1 . 2 ]"
1 38 TYR 1.061 0.033 23 0 "[ . 1 . 2 ]"
1 39 PRO 0.163 0.012 10 0 "[ . 1 . 2 ]"
1 40 GLN 0.277 0.019 3 0 "[ . 1 . 2 ]"
1 41 TYR 0.061 0.009 20 0 "[ . 1 . 2 ]"
1 42 VAL 1.349 0.057 5 0 "[ . 1 . 2 ]"
1 43 VAL 3.362 0.057 5 0 "[ . 1 . 2 ]"
1 44 SER 2.172 0.058 18 0 "[ . 1 . 2 ]"
1 45 ARG 3.282 0.073 17 0 "[ . 1 . 2 ]"
1 46 PHE 1.886 0.051 5 0 "[ . 1 . 2 ]"
1 47 GLU 0.834 0.039 13 0 "[ . 1 . 2 ]"
1 48 THR 1.543 0.073 17 0 "[ . 1 . 2 ]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 SER 0.471 0.024 23 0 "[ . 1 . 2 ]"
1 55 PRO 0.019 0.005 21 0 "[ . 1 . 2 ]"
1 56 GLU 0.029 0.007 23 0 "[ . 1 . 2 ]"
1 57 CYS 0.603 0.024 23 0 "[ . 1 . 2 ]"
1 58 MET 1.287 0.051 14 0 "[ . 1 . 2 ]"
1 59 GLU 2.119 0.051 14 0 "[ . 1 . 2 ]"
1 60 LEU 2.824 0.055 6 0 "[ . 1 . 2 ]"
1 61 TYR 2.153 0.044 20 0 "[ . 1 . 2 ]"
1 62 MET 2.028 0.050 1 0 "[ . 1 . 2 ]"
1 63 GLU 2.398 0.064 14 0 "[ . 1 . 2 ]"
1 64 ALA 2.512 0.064 14 0 "[ . 1 . 2 ]"
1 65 LEU 2.219 0.055 3 0 "[ . 1 . 2 ]"
1 66 GLN 2.032 0.055 3 0 "[ . 1 . 2 ]"
1 67 ARG 2.350 0.072 4 0 "[ . 1 . 2 ]"
1 68 ILE 2.670 0.072 4 0 "[ . 1 . 2 ]"
1 69 GLY 1.048 0.060 21 0 "[ . 1 . 2 ]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ALA 1.017 0.034 18 0 "[ . 1 . 2 ]"
1 75 ASP 0.552 0.028 12 0 "[ . 1 . 2 ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 VAL 0.465 0.034 18 0 "[ . 1 . 2 ]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 LEU 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 13 GLU H 1 13 GLU HA 2.700 2.700 7.700 2.809 2.805 2.812 . 0 0 "[ . 1 . 2 ]" 1
2 1 14 GLN H 1 14 GLN HA 2.700 2.700 7.700 2.802 2.798 2.809 . 0 0 "[ . 1 . 2 ]" 1
3 1 15 GLU H 1 15 GLU HA 2.700 2.700 7.700 2.818 2.811 2.822 . 0 0 "[ . 1 . 2 ]" 1
4 1 16 ALA H 1 16 ALA HA 2.700 2.700 7.700 2.809 2.806 2.813 . 0 0 "[ . 1 . 2 ]" 1
5 1 17 ASN H 1 17 ASN HA 2.700 2.700 7.700 2.804 2.800 2.810 . 0 0 "[ . 1 . 2 ]" 1
6 1 18 LYS H 1 18 LYS HA 2.700 2.700 7.700 2.811 2.806 2.820 . 0 0 "[ . 1 . 2 ]" 1
7 1 19 ASP H 1 19 ASP HA 2.700 2.700 7.700 2.965 2.964 2.967 . 0 0 "[ . 1 . 2 ]" 1
8 1 20 LEU H 1 20 LEU HA 2.700 2.700 7.700 2.929 2.920 2.936 . 0 0 "[ . 1 . 2 ]" 1
9 1 21 THR H 1 21 THR HA 2.700 2.700 7.700 2.925 2.918 2.926 . 0 0 "[ . 1 . 2 ]" 1
10 1 21 THR H 1 21 THR MG 0.000 . 3.500 2.357 2.332 2.405 . 0 0 "[ . 1 . 2 ]" 1
11 1 22 SER H 1 22 SER HA 2.700 2.700 7.700 2.956 2.953 2.958 . 0 0 "[ . 1 . 2 ]" 1
12 1 26 GLN H 1 26 GLN HA 2.700 2.700 7.700 2.817 2.813 2.819 . 0 0 "[ . 1 . 2 ]" 1
13 1 27 ALA H 1 27 ALA HA 2.700 2.700 7.700 2.791 2.789 2.793 . 0 0 "[ . 1 . 2 ]" 1
14 1 28 ALA H 1 28 ALA HA 2.700 2.700 7.700 2.821 2.819 2.823 . 0 0 "[ . 1 . 2 ]" 1
15 1 29 PHE H 1 29 PHE HA 2.700 2.700 7.700 2.805 2.802 2.810 . 0 0 "[ . 1 . 2 ]" 1
16 1 30 TYR H 1 30 TYR HD2 2.700 2.700 7.700 2.691 2.680 2.719 0.020 20 0 "[ . 1 . 2 ]" 1
17 1 30 TYR H 1 30 TYR HA 2.700 2.700 7.700 2.808 2.803 2.809 . 0 0 "[ . 1 . 2 ]" 1
18 1 31 LYS H 1 31 LYS HA 2.700 2.700 7.700 2.808 2.806 2.810 . 0 0 "[ . 1 . 2 ]" 1
19 1 32 LEU H 1 32 LEU HA 2.700 2.700 7.700 2.803 2.796 2.805 . 0 0 "[ . 1 . 2 ]" 1
20 1 33 LEU H 1 33 LEU HA 2.700 2.700 7.700 2.816 2.811 2.818 . 0 0 "[ . 1 . 2 ]" 1
21 1 34 LEU H 1 34 LEU HA 2.700 2.700 7.700 2.834 2.830 2.837 . 0 0 "[ . 1 . 2 ]" 1
22 1 35 GLN H 1 35 GLN HA 2.700 2.700 7.700 2.803 2.801 2.806 . 0 0 "[ . 1 . 2 ]" 1
23 1 36 SER H 1 36 SER HA 2.700 2.700 7.700 2.899 2.896 2.906 . 0 0 "[ . 1 . 2 ]" 1
24 1 37 ASN H 1 37 ASN HA 0.000 . 2.700 2.282 2.280 2.284 . 0 0 "[ . 1 . 2 ]" 1
25 1 38 TYR H 1 38 TYR HA 2.700 2.700 7.700 2.967 2.966 2.968 . 0 0 "[ . 1 . 2 ]" 1
26 1 41 TYR H 1 41 TYR HA 2.700 2.700 7.700 2.861 2.859 2.865 . 0 0 "[ . 1 . 2 ]" 1
27 1 42 VAL H 1 42 VAL HA 2.700 2.700 7.700 2.796 2.794 2.798 . 0 0 "[ . 1 . 2 ]" 1
28 1 43 VAL H 1 43 VAL HA 2.700 2.700 7.700 2.837 2.834 2.842 . 0 0 "[ . 1 . 2 ]" 1
29 1 44 SER H 1 44 SER HA 2.700 2.700 7.700 2.791 2.789 2.795 . 0 0 "[ . 1 . 2 ]" 1
30 1 45 ARG H 1 45 ARG HA 2.700 2.700 7.700 2.859 2.855 2.862 . 0 0 "[ . 1 . 2 ]" 1
31 1 46 PHE H 1 46 PHE HA 2.700 2.700 7.700 2.799 2.796 2.803 . 0 0 "[ . 1 . 2 ]" 1
32 1 47 GLU H 1 47 GLU HA 2.700 2.700 7.700 2.865 2.864 2.867 . 0 0 "[ . 1 . 2 ]" 1
33 1 48 THR H 1 48 THR HA 2.700 2.700 7.700 2.894 2.886 2.900 . 0 0 "[ . 1 . 2 ]" 1
34 1 51 ILE H 1 51 ILE HA 2.700 2.700 7.700 2.941 2.937 2.944 . 0 0 "[ . 1 . 2 ]" 1
35 1 51 ILE H 1 51 ILE HB 0.000 . 2.700 2.533 2.524 2.540 . 0 0 "[ . 1 . 2 ]" 1
36 1 52 ALA H 1 52 ALA HA 2.700 2.700 7.700 2.806 2.798 2.814 . 0 0 "[ . 1 . 2 ]" 1
37 1 53 SER H 1 53 SER HA 2.700 2.700 7.700 2.932 2.919 2.937 . 0 0 "[ . 1 . 2 ]" 1
38 1 54 SER H 1 54 SER HA 2.700 2.700 7.700 2.959 2.958 2.961 . 0 0 "[ . 1 . 2 ]" 1
39 1 58 MET H 1 58 MET HA 2.700 2.700 7.700 2.802 2.801 2.805 . 0 0 "[ . 1 . 2 ]" 1
40 1 59 GLU H 1 59 GLU HA 2.700 2.700 7.700 2.811 2.808 2.813 . 0 0 "[ . 1 . 2 ]" 1
41 1 60 LEU H 1 60 LEU HA 2.700 2.700 7.700 2.805 2.801 2.808 . 0 0 "[ . 1 . 2 ]" 1
42 1 61 TYR H 1 61 TYR HA 2.700 2.700 7.700 2.804 2.800 2.808 . 0 0 "[ . 1 . 2 ]" 1
43 1 62 MET H 1 62 MET HA 2.700 2.700 7.700 2.800 2.797 2.803 . 0 0 "[ . 1 . 2 ]" 1
44 1 63 GLU H 1 63 GLU HA 2.700 2.700 7.700 2.808 2.803 2.814 . 0 0 "[ . 1 . 2 ]" 1
45 1 64 ALA H 1 64 ALA HA 2.700 2.700 7.700 2.811 2.808 2.817 . 0 0 "[ . 1 . 2 ]" 1
46 1 65 LEU H 1 65 LEU HA 2.700 2.700 7.700 2.797 2.795 2.800 . 0 0 "[ . 1 . 2 ]" 1
47 1 66 GLN H 1 66 GLN HA 2.700 2.700 7.700 2.810 2.804 2.814 . 0 0 "[ . 1 . 2 ]" 1
48 1 67 ARG H 1 67 ARG HA 2.700 2.700 7.700 2.792 2.786 2.797 . 0 0 "[ . 1 . 2 ]" 1
49 1 68 ILE H 1 68 ILE HA 2.700 2.700 7.700 2.913 2.909 2.920 . 0 0 "[ . 1 . 2 ]" 1
50 1 73 GLU HA 1 73 GLU HG3 0.000 . 3.200 3.011 2.348 3.126 . 0 0 "[ . 1 . 2 ]" 1
51 1 73 GLU HA 1 73 GLU HG2 0.000 . 3.200 2.387 2.312 2.838 . 0 0 "[ . 1 . 2 ]" 1
52 1 75 ASP H 1 75 ASP HA 2.700 2.700 7.700 2.786 2.784 2.791 . 0 0 "[ . 1 . 2 ]" 1
53 1 77 VAL H 1 77 VAL HA 2.700 2.700 7.700 2.798 2.785 2.810 . 0 0 "[ . 1 . 2 ]" 1
54 1 12 ARG HA 1 13 GLU H 3.200 3.200 8.200 3.570 3.557 3.578 . 0 0 "[ . 1 . 2 ]" 1
55 1 13 GLU H 1 14 GLN H 0.000 . 2.700 2.721 2.716 2.727 0.027 10 0 "[ . 1 . 2 ]" 1
56 1 13 GLU HA 1 14 GLN H 3.200 3.200 8.200 3.544 3.539 3.551 . 0 0 "[ . 1 . 2 ]" 1
57 1 14 GLN H 1 15 GLU H 0.000 . 2.700 2.741 2.731 2.746 0.046 22 0 "[ . 1 . 2 ]" 1
58 1 14 GLN HA 1 15 GLU H 3.200 3.200 8.200 3.548 3.544 3.553 . 0 0 "[ . 1 . 2 ]" 1
59 1 15 GLU H 1 16 ALA H 0.000 . 2.700 2.746 2.740 2.750 0.050 16 0 "[ . 1 . 2 ]" 1
60 1 15 GLU HA 1 16 ALA H 3.200 3.200 8.200 3.554 3.547 3.556 . 0 0 "[ . 1 . 2 ]" 1
61 1 16 ALA H 1 17 ASN H 0.000 . 2.700 2.749 2.739 2.760 0.060 1 0 "[ . 1 . 2 ]" 1
62 1 16 ALA HA 1 17 ASN H 3.200 3.200 8.200 3.552 3.542 3.558 . 0 0 "[ . 1 . 2 ]" 1
63 1 17 ASN H 1 18 LYS H 0.000 . 2.700 2.743 2.733 2.754 0.054 16 0 "[ . 1 . 2 ]" 1
64 1 17 ASN HA 1 18 LYS H 3.200 3.200 8.200 3.551 3.546 3.560 . 0 0 "[ . 1 . 2 ]" 1
65 1 18 LYS H 1 19 ASP H 0.000 . 2.700 2.733 2.727 2.737 0.037 16 0 "[ . 1 . 2 ]" 1
66 1 18 LYS HA 1 19 ASP H 3.200 3.200 8.200 3.546 3.543 3.550 . 0 0 "[ . 1 . 2 ]" 1
67 1 19 ASP H 1 20 LEU H 3.500 3.500 8.500 4.099 4.032 4.141 . 0 0 "[ . 1 . 2 ]" 1
68 1 19 ASP HA 1 20 LEU H 0.000 . 2.700 2.172 2.165 2.189 . 0 0 "[ . 1 . 2 ]" 1
69 1 20 LEU HA 1 21 THR H 2.700 2.700 7.700 3.411 3.409 3.413 . 0 0 "[ . 1 . 2 ]" 1
70 1 21 THR H 1 22 SER H 0.000 . 2.700 2.714 2.711 2.721 0.021 2 0 "[ . 1 . 2 ]" 1
71 1 21 THR HA 1 22 SER H 3.200 3.200 8.200 3.183 3.179 3.193 0.021 12 0 "[ . 1 . 2 ]" 1
72 1 22 SER H 1 23 PRO HD3 3.500 3.500 8.500 4.013 3.999 4.035 . 0 0 "[ . 1 . 2 ]" 1
73 1 22 SER H 1 23 PRO HD2 3.500 3.500 8.500 4.935 4.920 4.958 . 0 0 "[ . 1 . 2 ]" 1
74 1 22 SER HA 1 23 PRO HD3 0.000 . 2.700 2.439 2.421 2.452 . 0 0 "[ . 1 . 2 ]" 1
75 1 22 SER HA 1 23 PRO HD2 0.000 . 2.700 2.451 2.441 2.464 . 0 0 "[ . 1 . 2 ]" 1
76 1 25 ALA MB 1 26 GLN HE21 0.000 . 4.000 2.188 2.120 2.270 . 0 0 "[ . 1 . 2 ]" 1
77 1 25 ALA MB 1 26 GLN HE22 0.000 . 4.300 2.753 2.708 2.827 . 0 0 "[ . 1 . 2 ]" 1
78 1 25 ALA HA 1 26 GLN H 3.200 3.200 8.200 3.557 3.551 3.562 . 0 0 "[ . 1 . 2 ]" 1
79 1 26 GLN H 1 27 ALA H 0.000 . 2.700 2.725 2.720 2.730 0.030 22 0 "[ . 1 . 2 ]" 1
80 1 26 GLN HA 1 27 ALA H 3.200 3.200 8.200 3.550 3.545 3.555 . 0 0 "[ . 1 . 2 ]" 1
81 1 27 ALA H 1 28 ALA H 0.000 . 2.700 2.772 2.767 2.780 0.080 16 0 "[ . 1 . 2 ]" 1
82 1 27 ALA HA 1 28 ALA H 3.200 3.200 8.200 3.549 3.546 3.552 . 0 0 "[ . 1 . 2 ]" 1
83 1 28 ALA H 1 29 PHE H 0.000 . 2.700 2.735 2.729 2.743 0.043 1 0 "[ . 1 . 2 ]" 1
84 1 28 ALA HA 1 29 PHE H 3.200 3.200 8.200 3.554 3.551 3.559 . 0 0 "[ . 1 . 2 ]" 1
85 1 29 PHE H 1 30 TYR H 0.000 . 2.700 2.751 2.741 2.757 0.057 11 0 "[ . 1 . 2 ]" 1
86 1 29 PHE HA 1 30 TYR H 3.200 3.200 8.200 3.546 3.543 3.548 . 0 0 "[ . 1 . 2 ]" 1
87 1 30 TYR H 1 31 LYS H 0.000 . 2.700 2.735 2.733 2.739 0.039 14 0 "[ . 1 . 2 ]" 1
88 1 30 TYR HA 1 31 LYS H 3.200 3.200 8.200 3.547 3.543 3.549 . 0 0 "[ . 1 . 2 ]" 1
89 1 31 LYS H 1 32 LEU H 0.000 . 2.700 2.742 2.738 2.746 0.046 18 0 "[ . 1 . 2 ]" 1
90 1 31 LYS HA 1 32 LEU H 3.200 3.200 8.200 3.546 3.540 3.549 . 0 0 "[ . 1 . 2 ]" 1
91 1 32 LEU H 1 33 LEU H 0.000 . 2.700 2.743 2.739 2.755 0.055 20 0 "[ . 1 . 2 ]" 1
92 1 32 LEU HA 1 33 LEU H 3.200 3.200 8.200 3.551 3.545 3.554 . 0 0 "[ . 1 . 2 ]" 1
93 1 33 LEU H 1 34 LEU H 0.000 . 2.700 2.736 2.731 2.741 0.041 5 0 "[ . 1 . 2 ]" 1
94 1 33 LEU HA 1 34 LEU H 3.200 3.200 8.200 3.558 3.550 3.562 . 0 0 "[ . 1 . 2 ]" 1
95 1 34 LEU H 1 35 GLN H 0.000 . 2.700 2.714 2.709 2.719 0.019 8 0 "[ . 1 . 2 ]" 1
96 1 34 LEU HA 1 35 GLN H 3.200 3.200 8.200 3.558 3.555 3.561 . 0 0 "[ . 1 . 2 ]" 1
97 1 35 GLN H 1 36 SER H 0.000 . 2.700 2.730 2.723 2.736 0.036 23 0 "[ . 1 . 2 ]" 1
98 1 35 GLN HA 1 36 SER H 3.200 3.200 8.200 3.541 3.537 3.544 . 0 0 "[ . 1 . 2 ]" 1
99 1 36 SER HA 1 37 ASN H 3.200 3.200 8.200 3.187 3.179 3.193 0.021 20 0 "[ . 1 . 2 ]" 1
100 1 37 ASN H 1 38 TYR H 0.000 . 2.700 2.727 2.723 2.733 0.033 23 0 "[ . 1 . 2 ]" 1
101 1 37 ASN HA 1 38 TYR H 0.000 . 2.700 2.694 2.676 2.704 0.004 9 0 "[ . 1 . 2 ]" 1
102 1 38 TYR H 1 39 PRO HD3 0.000 . 3.500 2.848 2.822 2.877 . 0 0 "[ . 1 . 2 ]" 1
103 1 38 TYR H 1 39 PRO HD2 3.500 3.500 8.500 3.598 3.543 3.618 . 0 0 "[ . 1 . 2 ]" 1
104 1 38 TYR HA 1 39 PRO HD3 3.200 3.200 8.200 3.433 3.414 3.487 . 0 0 "[ . 1 . 2 ]" 1
105 1 38 TYR HA 1 39 PRO HD2 0.000 . 2.700 2.497 2.471 2.521 . 0 0 "[ . 1 . 2 ]" 1
106 1 40 GLN HA 1 41 TYR H 3.200 3.200 8.200 3.539 3.538 3.541 . 0 0 "[ . 1 . 2 ]" 1
107 1 41 TYR H 1 42 VAL H 0.000 . 2.700 2.525 2.512 2.533 . 0 0 "[ . 1 . 2 ]" 1
108 1 41 TYR HA 1 42 VAL H 3.200 3.200 8.200 3.539 3.537 3.543 . 0 0 "[ . 1 . 2 ]" 1
109 1 42 VAL H 1 43 VAL H 0.000 . 2.700 2.753 2.750 2.757 0.057 5 0 "[ . 1 . 2 ]" 1
110 1 42 VAL HA 1 43 VAL H 3.200 3.200 8.200 3.541 3.538 3.543 . 0 0 "[ . 1 . 2 ]" 1
111 1 43 VAL H 1 44 SER H 0.000 . 2.700 2.737 2.732 2.746 0.046 1 0 "[ . 1 . 2 ]" 1
112 1 43 VAL HA 1 44 SER H 3.200 3.200 8.200 3.570 3.568 3.574 . 0 0 "[ . 1 . 2 ]" 1
113 1 44 SER H 1 45 ARG H 0.000 . 2.700 2.755 2.748 2.758 0.058 18 0 "[ . 1 . 2 ]" 1
114 1 44 SER HA 1 45 ARG H 3.200 3.200 8.200 3.527 3.524 3.530 . 0 0 "[ . 1 . 2 ]" 1
115 1 45 ARG H 1 46 PHE H 0.000 . 2.700 2.704 2.680 2.710 0.010 6 0 "[ . 1 . 2 ]" 1
116 1 45 ARG HA 1 46 PHE H 3.200 3.200 8.200 3.584 3.580 3.589 . 0 0 "[ . 1 . 2 ]" 1
117 1 46 PHE H 1 47 GLU H 0.000 . 2.700 2.734 2.728 2.739 0.039 13 0 "[ . 1 . 2 ]" 1
118 1 46 PHE QD 1 47 GLU QG 0.000 . 4.800 3.067 2.946 3.365 . 0 0 "[ . 1 . 2 ]" 1
119 1 46 PHE HA 1 47 GLU H 3.200 3.200 8.200 3.514 3.505 3.520 . 0 0 "[ . 1 . 2 ]" 1
120 1 47 GLU H 1 48 THR H 0.000 . 2.700 2.673 2.648 2.705 0.005 10 0 "[ . 1 . 2 ]" 1
121 1 47 GLU HA 1 48 THR H 3.200 3.200 8.200 3.442 3.413 3.462 . 0 0 "[ . 1 . 2 ]" 1
122 1 48 THR H 1 49 PRO HD3 3.500 3.500 8.500 4.400 4.386 4.414 . 0 0 "[ . 1 . 2 ]" 1
123 1 48 THR H 1 49 PRO HD2 3.500 3.500 8.500 5.340 5.327 5.348 . 0 0 "[ . 1 . 2 ]" 1
124 1 48 THR HA 1 49 PRO HD3 0.000 . 2.700 2.159 2.151 2.168 . 0 0 "[ . 1 . 2 ]" 1
125 1 48 THR HA 1 49 PRO HD2 0.000 . 3.200 2.728 2.720 2.739 . 0 0 "[ . 1 . 2 ]" 1
126 1 50 GLY QA 1 51 ILE H 0.000 . 3.500 2.898 2.889 2.906 . 0 0 "[ . 1 . 2 ]" 1
127 1 51 ILE H 1 52 ALA H 3.500 3.500 8.500 4.520 4.511 4.531 . 0 0 "[ . 1 . 2 ]" 1
128 1 51 ILE HA 1 52 ALA H 0.000 . 2.700 2.193 2.185 2.201 . 0 0 "[ . 1 . 2 ]" 1
129 1 52 ALA H 1 53 SER H 3.500 3.500 8.500 4.622 4.620 4.624 . 0 0 "[ . 1 . 2 ]" 1
130 1 52 ALA HA 1 53 SER H 0.000 . 2.700 2.276 2.273 2.283 . 0 0 "[ . 1 . 2 ]" 1
131 1 53 SER H 1 54 SER H 3.500 3.500 8.500 4.267 4.237 4.285 . 0 0 "[ . 1 . 2 ]" 1
132 1 53 SER HA 1 54 SER H 0.000 . 2.700 2.160 2.155 2.166 . 0 0 "[ . 1 . 2 ]" 1
133 1 54 SER H 1 55 PRO HD3 3.500 3.500 8.500 4.973 4.961 4.986 . 0 0 "[ . 1 . 2 ]" 1
134 1 54 SER H 1 55 PRO HD2 3.500 3.500 8.500 5.038 5.023 5.053 . 0 0 "[ . 1 . 2 ]" 1
135 1 54 SER HA 1 55 PRO HD3 0.000 . 2.700 2.321 2.308 2.334 . 0 0 "[ . 1 . 2 ]" 1
136 1 54 SER HA 1 55 PRO HD2 0.000 . 3.200 2.906 2.889 2.919 . 0 0 "[ . 1 . 2 ]" 1
137 1 56 GLU HA 1 57 CYS H 3.200 3.200 8.200 3.557 3.553 3.561 . 0 0 "[ . 1 . 2 ]" 1
138 1 57 CYS H 1 58 MET H 0.000 . 2.700 2.709 2.706 2.718 0.018 14 0 "[ . 1 . 2 ]" 1
139 1 57 CYS HA 1 58 MET H 3.200 3.200 8.200 3.540 3.538 3.542 . 0 0 "[ . 1 . 2 ]" 1
140 1 58 MET H 1 59 GLU H 0.000 . 2.700 2.747 2.742 2.751 0.051 14 0 "[ . 1 . 2 ]" 1
141 1 58 MET HA 1 59 GLU H 3.200 3.200 8.200 3.551 3.548 3.555 . 0 0 "[ . 1 . 2 ]" 1
142 1 59 GLU H 1 60 LEU H 0.000 . 2.700 2.743 2.733 2.748 0.048 6 0 "[ . 1 . 2 ]" 1
143 1 59 GLU HA 1 60 LEU H 3.200 3.200 8.200 3.548 3.541 3.550 . 0 0 "[ . 1 . 2 ]" 1
144 1 60 LEU H 1 61 TYR H 0.000 . 2.700 2.731 2.727 2.737 0.037 5 0 "[ . 1 . 2 ]" 1
145 1 60 LEU HA 1 61 TYR H 3.200 3.200 8.200 3.533 3.530 3.538 . 0 0 "[ . 1 . 2 ]" 1
146 1 61 TYR H 1 62 MET H 0.000 . 2.700 2.740 2.732 2.744 0.044 20 0 "[ . 1 . 2 ]" 1
147 1 61 TYR HA 1 62 MET H 3.200 3.200 8.200 3.547 3.544 3.551 . 0 0 "[ . 1 . 2 ]" 1
148 1 62 MET H 1 63 GLU H 0.000 . 2.700 2.745 2.740 2.750 0.050 1 0 "[ . 1 . 2 ]" 1
149 1 62 MET HA 1 63 GLU H 3.200 3.200 8.200 3.546 3.541 3.550 . 0 0 "[ . 1 . 2 ]" 1
150 1 63 GLU H 1 64 ALA H 0.000 . 2.700 2.753 2.747 2.764 0.064 14 0 "[ . 1 . 2 ]" 1
151 1 63 GLU HA 1 64 ALA H 3.200 3.200 8.200 3.556 3.552 3.563 . 0 0 "[ . 1 . 2 ]" 1
152 1 64 ALA H 1 65 LEU H 0.000 . 2.700 2.732 2.727 2.736 0.036 1 0 "[ . 1 . 2 ]" 1
153 1 64 ALA HA 1 65 LEU H 3.200 3.200 8.200 3.548 3.543 3.556 . 0 0 "[ . 1 . 2 ]" 1
154 1 65 LEU H 1 66 GLN H 0.000 . 2.700 2.752 2.742 2.755 0.055 3 0 "[ . 1 . 2 ]" 1
155 1 65 LEU HA 1 66 GLN H 3.200 3.200 8.200 3.540 3.534 3.548 . 0 0 "[ . 1 . 2 ]" 1
156 1 66 GLN H 1 67 ARG H 0.000 . 2.700 2.731 2.720 2.742 0.042 1 0 "[ . 1 . 2 ]" 1
157 1 66 GLN HA 1 67 ARG H 3.200 3.200 8.200 3.546 3.539 3.551 . 0 0 "[ . 1 . 2 ]" 1
158 1 67 ARG H 1 68 ILE H 0.000 . 2.700 2.761 2.753 2.772 0.072 4 0 "[ . 1 . 2 ]" 1
159 1 67 ARG HA 1 68 ILE H 3.200 3.200 8.200 3.538 3.533 3.546 . 0 0 "[ . 1 . 2 ]" 1
160 1 68 ILE H 1 69 GLY H 0.000 . 2.700 2.746 2.730 2.760 0.060 21 0 "[ . 1 . 2 ]" 1
161 1 74 ALA H 1 75 ASP H 0.000 . 2.700 2.724 2.721 2.728 0.028 12 0 "[ . 1 . 2 ]" 1
162 1 76 ALA HA 1 77 VAL H 3.200 3.200 8.200 3.577 3.572 3.580 . 0 0 "[ . 1 . 2 ]" 1
163 1 6 HIS HA 1 9 LEU QB 0.000 . 4.300 3.396 3.026 3.833 . 0 0 "[ . 1 . 2 ]" 1
164 1 8 MET HA 1 11 THR HB 0.000 . 3.500 3.315 3.182 3.403 . 0 0 "[ . 1 . 2 ]" 1
165 1 10 ALA HA 1 13 GLU QB 0.000 . 4.300 2.796 2.635 2.857 . 0 0 "[ . 1 . 2 ]" 1
166 1 11 THR HA 1 14 GLN QB 0.000 . 4.300 2.944 2.871 3.042 . 0 0 "[ . 1 . 2 ]" 1
167 1 12 ARG HA 1 15 GLU QB 0.000 . 4.300 3.133 3.040 3.208 . 0 0 "[ . 1 . 2 ]" 1
168 1 13 GLU HA 1 16 ALA MB 0.000 . 4.000 2.717 2.599 2.828 . 0 0 "[ . 1 . 2 ]" 1
169 1 10 ALA HA 1 13 GLU H 0.000 . 3.600 3.636 3.630 3.647 0.047 20 0 "[ . 1 . 2 ]" 1
170 1 11 THR HA 1 14 GLN H 0.000 . 3.600 3.606 3.586 3.636 0.036 20 0 "[ . 1 . 2 ]" 1
171 1 15 GLU HA 1 18 LYS QB 0.000 . 4.000 2.955 2.886 3.066 . 0 0 "[ . 1 . 2 ]" 1
172 1 12 ARG HA 1 15 GLU H 0.000 . 3.600 3.580 3.446 3.608 0.008 18 0 "[ . 1 . 2 ]" 1
173 1 12 ARG HA 1 16 ALA H 0.000 . 4.500 4.436 4.336 4.483 . 0 0 "[ . 1 . 2 ]" 1
174 1 13 GLU HA 1 16 ALA H 0.000 . 3.600 3.479 3.447 3.524 . 0 0 "[ . 1 . 2 ]" 1
175 1 13 GLU HG3 1 17 ASN H 0.000 . 4.500 4.546 4.536 4.553 0.053 15 0 "[ . 1 . 2 ]" 1
176 1 13 GLU HG2 1 17 ASN H 0.000 . 4.500 4.147 4.068 4.293 . 0 0 "[ . 1 . 2 ]" 1
177 1 14 GLN HA 1 17 ASN H 0.000 . 3.600 3.614 3.600 3.628 0.028 18 0 "[ . 1 . 2 ]" 1
178 1 15 GLU HA 1 18 LYS H 0.000 . 3.600 3.624 3.612 3.634 0.034 4 0 "[ . 1 . 2 ]" 1
179 1 19 ASP HB3 1 22 SER HB3 0.000 . 3.500 3.444 3.358 3.512 0.012 12 0 "[ . 1 . 2 ]" 1
180 1 19 ASP HB3 1 22 SER HB2 0.000 . 4.000 3.933 3.012 4.003 0.003 2 0 "[ . 1 . 2 ]" 1
181 1 16 ALA HA 1 19 ASP H 0.000 . 4.000 3.632 3.561 3.687 . 0 0 "[ . 1 . 2 ]" 1
182 1 17 ASN HA 1 20 LEU MD2 0.000 . 3.500 2.496 2.150 2.619 . 0 0 "[ . 1 . 2 ]" 1
183 1 17 ASN QB 1 20 LEU MD2 0.000 . 5.600 4.149 3.963 4.162 . 0 0 "[ . 1 . 2 ]" 1
184 1 19 ASP HA 1 21 THR H 0.000 . 3.500 3.435 3.379 3.460 . 0 0 "[ . 1 . 2 ]" 1
185 1 22 SER HB3 1 25 ALA MB 0.000 . 4.000 2.541 2.265 2.594 . 0 0 "[ . 1 . 2 ]" 1
186 1 19 ASP QB 1 22 SER H 0.000 . 4.800 4.184 3.849 4.233 . 0 0 "[ . 1 . 2 ]" 1
187 1 20 LEU HA 1 22 SER H 0.000 . 4.000 3.550 3.503 3.564 . 0 0 "[ . 1 . 2 ]" 1
188 1 20 LEU QB 1 22 SER H 0.000 . 5.300 4.610 4.576 4.621 . 0 0 "[ . 1 . 2 ]" 1
189 1 22 SER H 1 26 GLN QG 0.000 . 5.300 3.647 3.619 3.682 . 0 0 "[ . 1 . 2 ]" 1
190 1 23 PRO HA 1 26 GLN HE21 0.000 . 5.000 4.176 4.155 4.195 . 0 0 "[ . 1 . 2 ]" 1
191 1 23 PRO HA 1 26 GLN QG 0.000 . 3.500 2.229 2.170 2.278 . 0 0 "[ . 1 . 2 ]" 1
192 1 23 PRO HA 1 26 GLN H 0.000 . 3.500 3.512 3.506 3.519 0.019 9 0 "[ . 1 . 2 ]" 1
193 1 27 ALA HA 1 30 TYR QB 0.000 . 4.300 2.873 2.826 2.911 . 0 0 "[ . 1 . 2 ]" 1
194 1 24 ASP HA 1 27 ALA H 0.000 . 3.600 3.618 3.605 3.629 0.029 10 0 "[ . 1 . 2 ]" 1
195 1 28 ALA HA 1 31 LYS QB 0.000 . 4.300 3.000 2.956 3.283 . 0 0 "[ . 1 . 2 ]" 1
196 1 28 ALA HA 1 31 LYS QD 0.000 . 4.000 3.593 3.590 3.608 . 0 0 "[ . 1 . 2 ]" 1
197 1 24 ASP HA 1 28 ALA H 0.000 . 4.500 4.516 4.510 4.520 0.020 7 0 "[ . 1 . 2 ]" 1
198 1 25 ALA HA 1 28 ALA H 0.000 . 3.600 3.642 3.638 3.650 0.050 16 0 "[ . 1 . 2 ]" 1
199 1 25 ALA HA 1 29 PHE H 0.000 . 4.500 4.436 4.414 4.470 . 0 0 "[ . 1 . 2 ]" 1
200 1 26 GLN HA 1 29 PHE H 0.000 . 3.600 3.493 3.461 3.556 . 0 0 "[ . 1 . 2 ]" 1
201 1 27 ALA HA 1 30 TYR HD2 0.000 . 3.200 1.928 1.926 1.932 . 0 0 "[ . 1 . 2 ]" 1
202 1 26 GLN HA 1 30 TYR H 0.000 . 4.500 4.233 4.209 4.261 . 0 0 "[ . 1 . 2 ]" 1
203 1 27 ALA HA 1 30 TYR H 0.000 . 3.600 3.568 3.549 3.583 . 0 0 "[ . 1 . 2 ]" 1
204 1 28 ALA HA 1 31 LYS H 0.000 . 3.600 3.617 3.559 3.624 0.024 1 0 "[ . 1 . 2 ]" 1
205 1 28 ALA HA 1 32 LEU H 0.000 . 4.500 4.369 4.334 4.450 . 0 0 "[ . 1 . 2 ]" 1
206 1 29 PHE HA 1 32 LEU H 0.000 . 3.600 3.552 3.497 3.591 . 0 0 "[ . 1 . 2 ]" 1
207 1 30 TYR HA 1 33 LEU HB2 0.000 . 3.500 2.928 2.902 2.996 . 0 0 "[ . 1 . 2 ]" 1
208 1 29 PHE HD2 1 33 LEU MD1 0.000 . 4.800 3.447 3.290 3.592 . 0 0 "[ . 1 . 2 ]" 1
209 1 29 PHE HE2 1 33 LEU MD1 0.000 . 4.800 2.902 2.759 2.992 . 0 0 "[ . 1 . 2 ]" 1
210 1 30 TYR HA 1 33 LEU MD1 0.000 . 3.500 2.895 2.803 2.920 . 0 0 "[ . 1 . 2 ]" 1
211 1 29 PHE HA 1 33 LEU H 0.000 . 4.500 4.338 4.304 4.396 . 0 0 "[ . 1 . 2 ]" 1
212 1 30 TYR HA 1 33 LEU H 0.000 . 3.600 3.631 3.619 3.639 0.039 13 0 "[ . 1 . 2 ]" 1
213 1 30 TYR HA 1 34 LEU H 0.000 . 4.500 4.473 4.440 4.501 0.001 16 0 "[ . 1 . 2 ]" 1
214 1 31 LYS HA 1 34 LEU H 0.000 . 3.600 3.632 3.622 3.647 0.047 16 0 "[ . 1 . 2 ]" 1
215 1 31 LYS HA 1 35 GLN H 0.000 . 4.500 4.324 4.278 4.355 . 0 0 "[ . 1 . 2 ]" 1
216 1 32 LEU HA 1 35 GLN H 0.000 . 3.600 3.603 3.579 3.615 0.015 20 0 "[ . 1 . 2 ]" 1
217 1 32 LEU HA 1 36 SER H 0.000 . 4.500 4.274 4.249 4.298 . 0 0 "[ . 1 . 2 ]" 1
218 1 33 LEU HA 1 36 SER H 0.000 . 3.600 3.626 3.619 3.637 0.037 20 0 "[ . 1 . 2 ]" 1
219 1 37 ASN HA 1 39 PRO HD3 0.000 . 3.200 2.668 2.639 2.698 . 0 0 "[ . 1 . 2 ]" 1
220 1 37 ASN HA 1 39 PRO HD2 0.000 . 4.000 3.761 3.693 3.787 . 0 0 "[ . 1 . 2 ]" 1
221 1 34 LEU HA 1 38 TYR H 0.000 . 3.200 3.218 3.213 3.222 0.022 16 0 "[ . 1 . 2 ]" 1
222 1 38 TYR QB 1 41 TYR H 0.000 . 4.800 3.136 3.086 3.191 . 0 0 "[ . 1 . 2 ]" 1
223 1 42 VAL HA 1 45 ARG HB2 0.000 . 4.000 4.005 4.001 4.009 0.009 10 0 "[ . 1 . 2 ]" 1
224 1 42 VAL MG1 1 46 PHE HB3 0.000 . 4.800 4.011 4.006 4.016 . 0 0 "[ . 1 . 2 ]" 1
225 1 38 TYR HB3 1 42 VAL MG2 0.000 . 5.300 3.923 3.863 3.970 . 0 0 "[ . 1 . 2 ]" 1
226 1 39 PRO HA 1 42 VAL MG2 0.000 . 4.000 2.584 2.530 2.618 . 0 0 "[ . 1 . 2 ]" 1
227 1 39 PRO HA 1 42 VAL H 0.000 . 3.600 3.375 3.347 3.402 . 0 0 "[ . 1 . 2 ]" 1
228 1 43 VAL HA 1 46 PHE QB 0.000 . 4.300 2.967 2.935 3.022 . 0 0 "[ . 1 . 2 ]" 1
229 1 40 GLN HA 1 43 VAL H 0.000 . 3.600 3.612 3.602 3.619 0.019 3 0 "[ . 1 . 2 ]" 1
230 1 40 GLN HA 1 44 SER H 0.000 . 4.500 4.344 4.312 4.377 . 0 0 "[ . 1 . 2 ]" 1
231 1 41 TYR HA 1 44 SER H 0.000 . 3.600 3.522 3.467 3.589 . 0 0 "[ . 1 . 2 ]" 1
232 1 41 TYR HA 1 45 ARG H 0.000 . 4.500 4.200 4.131 4.226 . 0 0 "[ . 1 . 2 ]" 1
233 1 42 VAL HA 1 45 ARG H 0.000 . 4.000 3.884 3.851 3.962 . 0 0 "[ . 1 . 2 ]" 1
234 1 42 VAL HA 1 46 PHE H 0.000 . 4.500 4.081 4.030 4.100 . 0 0 "[ . 1 . 2 ]" 1
235 1 43 VAL HA 1 46 PHE H 0.000 . 3.600 3.642 3.630 3.651 0.051 5 0 "[ . 1 . 2 ]" 1
236 1 43 VAL HA 1 47 GLU H 0.000 . 4.500 4.170 4.137 4.204 . 0 0 "[ . 1 . 2 ]" 1
237 1 44 SER HA 1 47 GLU H 0.000 . 4.000 3.998 3.983 4.009 0.009 5 0 "[ . 1 . 2 ]" 1
238 1 48 THR HB 1 51 ILE MD 0.000 . 4.300 2.430 2.382 2.497 . 0 0 "[ . 1 . 2 ]" 1
239 1 45 ARG HA 1 48 THR H 0.000 . 3.600 3.667 3.659 3.673 0.073 17 0 "[ . 1 . 2 ]" 1
240 1 48 THR H 1 51 ILE MD 0.000 . 4.800 4.010 4.004 4.013 . 0 0 "[ . 1 . 2 ]" 1
241 1 48 THR HB 1 51 ILE H 0.000 . 4.800 3.401 3.293 3.503 . 0 0 "[ . 1 . 2 ]" 1
242 1 48 THR MG 1 51 ILE H 0.000 . 4.300 3.301 3.082 3.540 . 0 0 "[ . 1 . 2 ]" 1
243 1 54 SER H 1 58 MET H 0.000 . 4.000 3.969 3.920 4.001 0.001 15 0 "[ . 1 . 2 ]" 1
244 1 55 PRO HA 1 58 MET HB2 0.000 . 3.500 2.969 2.870 3.018 . 0 0 "[ . 1 . 2 ]" 1
245 1 55 PRO HA 1 58 MET QG 0.000 . 4.800 2.582 2.505 2.664 . 0 0 "[ . 1 . 2 ]" 1
246 1 57 CYS HA 1 60 LEU HB2 0.000 . 3.600 2.815 2.759 2.888 . 0 0 "[ . 1 . 2 ]" 1
247 1 57 CYS HA 1 60 LEU MD1 0.000 . 3.500 2.062 2.056 2.069 . 0 0 "[ . 1 . 2 ]" 1
248 1 53 SER HA 1 57 CYS HB2 0.000 . 3.500 2.982 2.953 3.016 . 0 0 "[ . 1 . 2 ]" 1
249 1 54 SER H 1 57 CYS HB2 0.000 . 4.000 1.937 1.934 1.942 . 0 0 "[ . 1 . 2 ]" 1
250 1 54 SER HB2 1 57 CYS H 0.000 . 4.000 3.815 3.584 4.024 0.024 23 0 "[ . 1 . 2 ]" 1
251 1 55 PRO HA 1 57 CYS H 2.700 2.700 7.700 4.468 4.437 4.519 . 0 0 "[ . 1 . 2 ]" 1
252 1 55 PRO HA 1 58 MET H 0.000 . 3.600 3.485 3.450 3.510 . 0 0 "[ . 1 . 2 ]" 1
253 1 55 PRO HA 1 59 GLU H 0.000 . 4.500 4.493 4.469 4.505 0.005 21 0 "[ . 1 . 2 ]" 1
254 1 56 GLU HA 1 59 GLU H 0.000 . 3.600 3.596 3.557 3.607 0.007 23 0 "[ . 1 . 2 ]" 1
255 1 57 CYS HA 1 60 LEU H 0.000 . 3.600 3.495 3.472 3.550 . 0 0 "[ . 1 . 2 ]" 1
256 1 57 CYS HA 1 61 TYR H 0.000 . 4.500 4.277 4.235 4.304 . 0 0 "[ . 1 . 2 ]" 1
257 1 58 MET HA 1 61 TYR H 0.000 . 3.600 3.477 3.437 3.500 . 0 0 "[ . 1 . 2 ]" 1
258 1 59 GLU HA 1 62 MET ME 0.000 . 3.500 2.920 2.917 2.923 . 0 0 "[ . 1 . 2 ]" 1
259 1 59 GLU QG 1 62 MET ME 0.000 . 4.800 3.563 3.560 3.564 . 0 0 "[ . 1 . 2 ]" 1
260 1 62 MET ME 1 66 GLN HE22 0.000 . 4.800 3.347 2.995 4.030 . 0 0 "[ . 1 . 2 ]" 1
261 1 58 MET HA 1 62 MET H 0.000 . 4.500 4.345 4.288 4.390 . 0 0 "[ . 1 . 2 ]" 1
262 1 59 GLU HA 1 62 MET H 0.000 . 3.600 3.510 3.487 3.538 . 0 0 "[ . 1 . 2 ]" 1
263 1 60 LEU HA 1 63 GLU H 0.000 . 3.600 3.521 3.437 3.607 0.007 23 0 "[ . 1 . 2 ]" 1
264 1 64 ALA HA 1 67 ARG HD3 0.000 . 4.500 3.639 3.397 4.528 0.028 14 0 "[ . 1 . 2 ]" 1
265 1 64 ALA HA 1 67 ARG HD2 0.000 . 4.500 3.944 3.090 4.207 . 0 0 "[ . 1 . 2 ]" 1
266 1 60 LEU HA 1 64 ALA H 0.000 . 4.500 4.385 4.346 4.437 . 0 0 "[ . 1 . 2 ]" 1
267 1 61 TYR HA 1 64 ALA H 0.000 . 3.600 3.621 3.606 3.634 0.034 15 0 "[ . 1 . 2 ]" 1
268 1 62 MET HA 1 65 LEU H 0.000 . 3.600 3.596 3.563 3.617 0.017 10 0 "[ . 1 . 2 ]" 1
269 1 63 GLU HA 1 66 GLN H 0.000 . 3.600 3.605 3.591 3.615 0.015 10 0 "[ . 1 . 2 ]" 1
270 1 64 ALA HA 1 67 ARG H 0.000 . 3.600 3.422 3.317 3.480 . 0 0 "[ . 1 . 2 ]" 1
271 1 65 LEU HA 1 68 ILE MD 0.000 . 4.000 2.502 2.346 2.760 . 0 0 "[ . 1 . 2 ]" 1
272 1 65 LEU MD2 1 68 ILE MD 0.000 . 4.800 2.331 2.176 2.573 . 0 0 "[ . 1 . 2 ]" 1
273 1 68 ILE MD 1 70 ARG HD3 0.000 . 4.000 3.193 2.060 3.389 . 0 0 "[ . 1 . 2 ]" 1
274 1 68 ILE MD 1 70 ARG HD2 0.000 . 4.000 2.058 1.941 3.226 . 0 0 "[ . 1 . 2 ]" 1
275 1 65 LEU HA 1 68 ILE H 0.000 . 3.600 3.610 3.599 3.622 0.022 4 0 "[ . 1 . 2 ]" 1
276 1 70 ARG HD3 1 73 GLU QG 0.000 . 4.800 3.514 3.155 4.280 . 0 0 "[ . 1 . 2 ]" 1
277 1 72 SER HA 1 75 ASP QB 0.000 . 4.300 3.178 3.127 3.281 . 0 0 "[ . 1 . 2 ]" 1
278 1 74 ALA HA 1 77 VAL HB 0.000 . 3.500 3.172 3.126 3.241 . 0 0 "[ . 1 . 2 ]" 1
279 1 74 ALA HA 1 77 VAL MG2 0.000 . 4.000 3.111 2.954 3.232 . 0 0 "[ . 1 . 2 ]" 1
280 1 71 HIS HA 1 74 ALA MB 0.000 . 4.300 2.757 2.541 2.982 . 0 0 "[ . 1 . 2 ]" 1
281 1 75 ASP HA 1 78 ARG QB 0.000 . 4.300 2.907 2.767 3.025 . 0 0 "[ . 1 . 2 ]" 1
282 1 76 ALA HA 1 79 GLN QB 0.000 . 4.300 3.145 3.071 3.276 . 0 0 "[ . 1 . 2 ]" 1
283 1 73 GLU HA 1 76 ALA MB 0.000 . 4.300 2.838 2.705 2.972 . 0 0 "[ . 1 . 2 ]" 1
284 1 74 ALA HA 1 77 VAL H 0.000 . 3.600 3.620 3.595 3.634 0.034 18 0 "[ . 1 . 2 ]" 1
285 1 78 ARG HA 1 81 LEU HB2 0.000 . 3.500 3.094 2.763 3.409 . 0 0 "[ . 1 . 2 ]" 1
286 1 78 ARG HA 1 81 LEU MD1 0.000 . 4.000 2.409 2.044 3.336 . 0 0 "[ . 1 . 2 ]" 1
287 1 77 VAL HA 1 80 ASN QB 0.000 . 4.300 2.842 2.679 3.101 . 0 0 "[ . 1 . 2 ]" 1
288 1 9 LEU QD 1 36 SER QB 0.000 . 4.800 2.522 2.452 2.615 . 0 0 "[ . 1 . 2 ]" 1
289 1 13 GLU HA 1 29 PHE HD1 0.000 . 4.000 3.194 2.997 3.436 . 0 0 "[ . 1 . 2 ]" 1
290 1 13 GLU HA 1 29 PHE HE1 0.000 . 4.000 3.400 3.178 3.693 . 0 0 "[ . 1 . 2 ]" 1
291 1 13 GLU H 1 29 PHE HE1 0.000 . 4.500 4.094 3.874 4.503 0.003 20 0 "[ . 1 . 2 ]" 1
292 1 16 ALA HA 1 25 ALA MB 0.000 . 3.500 2.632 2.552 2.704 . 0 0 "[ . 1 . 2 ]" 1
293 1 16 ALA MB 1 26 GLN HA 0.000 . 4.300 3.194 3.105 3.273 . 0 0 "[ . 1 . 2 ]" 1
294 1 16 ALA MB 1 26 GLN HE22 0.000 . 4.300 3.177 3.070 3.290 . 0 0 "[ . 1 . 2 ]" 1
295 1 16 ALA MB 1 29 PHE QB 0.000 . 4.800 2.528 2.430 2.644 . 0 0 "[ . 1 . 2 ]" 1
296 1 16 ALA MB 1 29 PHE HD2 0.000 . 4.300 3.584 3.581 3.592 . 0 0 "[ . 1 . 2 ]" 1
297 1 16 ALA H 1 25 ALA MB 0.000 . 4.800 4.014 4.006 4.018 . 0 0 "[ . 1 . 2 ]" 1
298 1 19 ASP HB3 1 25 ALA MB 0.000 . 4.800 3.838 3.750 3.938 . 0 0 "[ . 1 . 2 ]" 1
299 1 21 THR HA 1 52 ALA MB 0.000 . 3.500 2.553 2.385 2.749 . 0 0 "[ . 1 . 2 ]" 1
300 1 22 SER HA 1 52 ALA MB 0.000 . 4.800 4.019 4.012 4.029 . 0 0 "[ . 1 . 2 ]" 1
301 1 22 SER H 1 52 ALA MB 0.000 . 4.800 3.422 3.367 3.477 . 0 0 "[ . 1 . 2 ]" 1
302 1 23 PRO HA 1 52 ALA MB 0.000 . 4.300 2.065 2.041 2.111 . 0 0 "[ . 1 . 2 ]" 1
303 1 16 ALA HA 1 26 GLN HE21 0.000 . 4.000 4.008 4.005 4.012 0.012 4 0 "[ . 1 . 2 ]" 1
304 1 20 LEU HA 1 26 GLN HE21 0.000 . 3.500 3.458 3.336 3.504 0.004 1 0 "[ . 1 . 2 ]" 1
305 1 20 LEU MD2 1 26 GLN HE21 0.000 . 5.300 4.386 4.324 4.419 . 0 0 "[ . 1 . 2 ]" 1
306 1 16 ALA HA 1 26 GLN HE22 0.000 . 3.200 2.787 2.754 2.850 . 0 0 "[ . 1 . 2 ]" 1
307 1 20 LEU HA 1 26 GLN HE22 0.000 . 2.700 2.289 2.173 2.340 . 0 0 "[ . 1 . 2 ]" 1
308 1 20 LEU MD2 1 26 GLN HE22 0.000 . 4.800 3.056 2.993 3.125 . 0 0 "[ . 1 . 2 ]" 1
309 1 26 GLN H 1 52 ALA MB 0.000 . 5.300 4.248 4.185 4.294 . 0 0 "[ . 1 . 2 ]" 1
310 1 27 ALA HA 1 60 LEU MD1 0.000 . 4.300 3.101 3.046 3.134 . 0 0 "[ . 1 . 2 ]" 1
311 1 12 ARG QD 1 28 ALA MB 0.000 . 4.300 3.088 2.333 3.193 . 0 0 "[ . 1 . 2 ]" 1
312 1 12 ARG QB 1 29 PHE H 0.000 . 5.300 4.724 4.580 4.737 . 0 0 "[ . 1 . 2 ]" 1
313 1 16 ALA MB 1 29 PHE H 0.000 . 5.300 4.193 4.035 4.316 . 0 0 "[ . 1 . 2 ]" 1
314 1 29 PHE HZ 1 41 TYR HD2 0.000 . 4.000 3.992 3.835 4.009 0.009 20 0 "[ . 1 . 2 ]" 1
315 1 30 TYR HD1 1 42 VAL MG1 0.000 . 4.800 1.913 1.909 1.920 . 0 0 "[ . 1 . 2 ]" 1
316 1 30 TYR HD1 1 42 VAL MG2 0.000 . 4.000 3.341 3.334 3.347 . 0 0 "[ . 1 . 2 ]" 1
317 1 30 TYR HD2 1 60 LEU MD1 0.000 . 4.500 3.318 3.265 3.352 . 0 0 "[ . 1 . 2 ]" 1
318 1 30 TYR QE 1 46 PHE QD 0.000 . 3.500 3.037 2.789 3.194 . 0 0 "[ . 1 . 2 ]" 1
319 1 30 TYR QE 1 53 SER HA 0.000 . 5.000 3.547 3.447 3.598 . 0 0 "[ . 1 . 2 ]" 1
320 1 30 TYR H 1 60 LEU MD1 0.000 . 5.300 3.780 3.753 3.798 . 0 0 "[ . 1 . 2 ]" 1
321 1 31 LYS HA 1 60 LEU MD2 0.000 . 4.800 2.078 2.054 2.488 . 0 0 "[ . 1 . 2 ]" 1
322 1 31 LYS H 1 60 LEU MD1 0.000 . 4.300 2.477 2.458 2.506 . 0 0 "[ . 1 . 2 ]" 1
323 1 31 LYS H 1 60 LEU MD2 0.000 . 4.800 3.671 3.629 3.961 . 0 0 "[ . 1 . 2 ]" 1
324 1 9 LEU HA 1 32 LEU MD1 0.000 . 3.500 2.837 2.282 2.922 . 0 0 "[ . 1 . 2 ]" 1
325 1 12 ARG QB 1 32 LEU MD1 0.000 . 4.300 1.950 1.921 2.264 . 0 0 "[ . 1 . 2 ]" 1
326 1 12 ARG QG 1 32 LEU MD1 0.000 . 4.300 2.048 1.907 3.067 . 0 0 "[ . 1 . 2 ]" 1
327 1 33 LEU MD1 1 41 TYR HB3 0.000 . 4.300 2.401 2.124 2.492 . 0 0 "[ . 1 . 2 ]" 1
328 1 33 LEU MD1 1 41 TYR HB2 0.000 . 4.300 3.058 2.815 3.212 . 0 0 "[ . 1 . 2 ]" 1
329 1 33 LEU MD1 1 41 TYR HD2 0.000 . 4.000 3.333 3.307 3.338 . 0 0 "[ . 1 . 2 ]" 1
330 1 33 LEU MD2 1 38 TYR HB3 0.000 . 4.300 2.057 2.046 2.062 . 0 0 "[ . 1 . 2 ]" 1
331 1 33 LEU MD2 1 38 TYR HB2 0.000 . 4.000 2.256 2.227 2.283 . 0 0 "[ . 1 . 2 ]" 1
332 1 33 LEU MD2 1 41 TYR HB3 0.000 . 4.300 2.438 2.366 2.492 . 0 0 "[ . 1 . 2 ]" 1
333 1 33 LEU MD2 1 41 TYR HB2 0.000 . 4.300 2.068 2.060 2.126 . 0 0 "[ . 1 . 2 ]" 1
334 1 34 LEU MD1 1 42 VAL MG1 0.000 . 5.600 3.128 2.917 3.322 . 0 0 "[ . 1 . 2 ]" 1
335 1 34 LEU MD1 1 63 GLU QG 0.000 . 5.600 3.451 3.089 3.706 . 0 0 "[ . 1 . 2 ]" 1
336 1 34 LEU MD2 1 39 PRO HB3 0.000 . 4.300 3.067 2.951 3.212 . 0 0 "[ . 1 . 2 ]" 1
337 1 34 LEU MD2 1 42 VAL MG2 0.000 . 5.600 2.787 2.600 2.958 . 0 0 "[ . 1 . 2 ]" 1
338 1 34 LEU MD2 1 63 GLU QG 0.000 . 5.600 4.117 3.950 4.168 . 0 0 "[ . 1 . 2 ]" 1
339 1 34 LEU MD2 1 67 ARG HD3 0.000 . 4.800 3.226 2.816 4.002 . 0 0 "[ . 1 . 2 ]" 1
340 1 34 LEU MD2 1 67 ARG HD2 0.000 . 4.800 2.921 2.657 3.163 . 0 0 "[ . 1 . 2 ]" 1
341 1 34 LEU H 1 42 VAL MG2 0.000 . 4.300 3.175 3.137 3.242 . 0 0 "[ . 1 . 2 ]" 1
342 1 9 LEU QD 1 36 SER H 0.000 . 5.300 3.819 3.722 3.916 . 0 0 "[ . 1 . 2 ]" 1
343 1 33 LEU HA 1 38 TYR HB2 2.700 2.700 3.500 2.723 2.689 2.763 0.011 5 0 "[ . 1 . 2 ]" 1
344 1 33 LEU MD2 1 38 TYR HD2 0.000 . 4.300 3.530 3.383 3.602 . 0 0 "[ . 1 . 2 ]" 1
345 1 9 LEU QD 1 38 TYR QE 0.000 . 4.000 3.274 3.219 3.290 . 0 0 "[ . 1 . 2 ]" 1
346 1 34 LEU MD2 1 39 PRO HA 0.000 . 4.000 2.940 2.769 3.161 . 0 0 "[ . 1 . 2 ]" 1
347 1 34 LEU MD2 1 39 PRO HD3 0.000 . 4.800 3.992 3.945 4.008 . 0 0 "[ . 1 . 2 ]" 1
348 1 33 LEU MD2 1 41 TYR HD2 0.000 . 4.300 2.540 2.414 3.024 . 0 0 "[ . 1 . 2 ]" 1
349 1 30 TYR HD1 1 42 VAL HA 0.000 . 3.500 3.245 3.165 3.356 . 0 0 "[ . 1 . 2 ]" 1
350 1 33 LEU MD1 1 42 VAL HA 0.000 . 4.000 2.595 2.522 2.783 . 0 0 "[ . 1 . 2 ]" 1
351 1 30 TYR HA 1 42 VAL MG1 0.000 . 5.300 3.407 3.340 3.497 . 0 0 "[ . 1 . 2 ]" 1
352 1 30 TYR HB3 1 42 VAL MG1 0.000 . 4.300 3.207 3.135 3.343 . 0 0 "[ . 1 . 2 ]" 1
353 1 42 VAL MG1 1 61 TYR HA 0.000 . 3.500 2.131 2.022 2.226 . 0 0 "[ . 1 . 2 ]" 1
354 1 42 VAL MG1 1 61 TYR HD1 0.000 . 5.300 2.607 2.430 2.717 . 0 0 "[ . 1 . 2 ]" 1
355 1 30 TYR HA 1 42 VAL MG2 0.000 . 4.000 3.150 3.105 3.208 . 0 0 "[ . 1 . 2 ]" 1
356 1 33 LEU HB3 1 42 VAL MG2 0.000 . 3.500 1.998 1.970 2.103 . 0 0 "[ . 1 . 2 ]" 1
357 1 33 LEU HB2 1 42 VAL MG2 0.000 . 3.500 2.165 2.108 2.224 . 0 0 "[ . 1 . 2 ]" 1
358 1 33 LEU MD1 1 42 VAL MG2 0.000 . 4.300 2.479 2.404 2.618 . 0 0 "[ . 1 . 2 ]" 1
359 1 34 LEU HG 1 42 VAL MG2 0.000 . 3.500 2.068 2.046 2.155 . 0 0 "[ . 1 . 2 ]" 1
360 1 33 LEU MD1 1 42 VAL H 0.000 . 5.300 3.262 3.182 3.346 . 0 0 "[ . 1 . 2 ]" 1
361 1 42 VAL H 1 64 ALA MB 0.000 . 5.300 3.763 3.736 3.829 . 0 0 "[ . 1 . 2 ]" 1
362 1 43 VAL HA 1 61 TYR HD1 0.000 . 2.700 2.469 2.318 2.710 0.010 23 0 "[ . 1 . 2 ]" 1
363 1 43 VAL HA 1 61 TYR HE1 0.000 . 2.700 1.944 1.939 1.953 . 0 0 "[ . 1 . 2 ]" 1
364 1 43 VAL MG1 1 61 TYR HE1 0.000 . 3.500 1.914 1.905 1.922 . 0 0 "[ . 1 . 2 ]" 1
365 1 43 VAL MG1 1 65 LEU MD2 0.000 . 4.300 2.325 2.071 2.593 . 0 0 "[ . 1 . 2 ]" 1
366 1 43 VAL H 1 64 ALA MB 0.000 . 4.800 3.351 3.253 3.490 . 0 0 "[ . 1 . 2 ]" 1
367 1 45 ARG HA 1 51 ILE MD 0.000 . 4.800 2.911 2.852 3.068 . 0 0 "[ . 1 . 2 ]" 1
368 1 29 PHE HE2 1 45 ARG HD3 0.000 . 3.500 3.446 2.633 3.517 0.017 14 0 "[ . 1 . 2 ]" 1
369 1 29 PHE HE2 1 45 ARG HD2 0.000 . 3.500 1.945 1.943 1.947 . 0 0 "[ . 1 . 2 ]" 1
370 1 46 PHE QD 1 61 TYR HB2 0.000 . 3.200 2.997 2.836 3.097 . 0 0 "[ . 1 . 2 ]" 1
371 1 46 PHE QE 1 58 MET HA 0.000 . 3.200 2.587 2.433 2.742 . 0 0 "[ . 1 . 2 ]" 1
372 1 46 PHE QE 1 58 MET ME 0.000 . 4.800 3.042 2.959 3.151 . 0 0 "[ . 1 . 2 ]" 1
373 1 46 PHE QE 1 58 MET H 0.000 . 4.000 3.617 3.490 3.724 . 0 0 "[ . 1 . 2 ]" 1
374 1 46 PHE QE 1 61 TYR HB2 0.000 . 4.000 3.781 3.575 3.854 . 0 0 "[ . 1 . 2 ]" 1
375 1 46 PHE QE 1 61 TYR HE2 0.000 . 3.500 3.305 3.123 3.493 . 0 0 "[ . 1 . 2 ]" 1
376 1 30 TYR QE 1 46 PHE H 0.000 . 4.000 2.911 2.782 3.145 . 0 0 "[ . 1 . 2 ]" 1
377 1 46 PHE HZ 1 58 MET ME 0.000 . 4.000 2.001 1.965 2.088 . 0 0 "[ . 1 . 2 ]" 1
378 1 47 GLU QG 1 61 TYR HE1 0.000 . 4.800 2.932 2.578 3.593 . 0 0 "[ . 1 . 2 ]" 1
379 1 20 LEU QB 1 51 ILE HA 0.000 . 3.500 2.429 2.377 2.475 . 0 0 "[ . 1 . 2 ]" 1
380 1 45 ARG QG 1 51 ILE HB 0.000 . 4.800 3.317 3.269 3.545 . 0 0 "[ . 1 . 2 ]" 1
381 1 20 LEU MD1 1 51 ILE MD 0.000 . 4.300 2.995 2.993 2.998 . 0 0 "[ . 1 . 2 ]" 1
382 1 45 ARG QG 1 51 ILE MD 0.000 . 4.300 1.871 1.852 1.909 . 0 0 "[ . 1 . 2 ]" 1
383 1 26 GLN HG3 1 51 ILE MG 0.000 . 3.200 2.486 2.432 2.544 . 0 0 "[ . 1 . 2 ]" 1
384 1 23 PRO HD3 1 52 ALA MB 0.000 . 3.500 2.653 2.627 2.710 . 0 0 "[ . 1 . 2 ]" 1
385 1 26 GLN HE21 1 52 ALA MB 0.000 . 5.300 3.762 3.616 3.900 . 0 0 "[ . 1 . 2 ]" 1
386 1 26 GLN HG3 1 52 ALA MB 0.000 . 4.500 2.062 2.055 2.066 . 0 0 "[ . 1 . 2 ]" 1
387 1 26 GLN HG2 1 52 ALA MB 0.000 . 4.500 2.486 2.415 2.539 . 0 0 "[ . 1 . 2 ]" 1
388 1 20 LEU HA 1 52 ALA H 0.000 . 4.500 4.259 4.224 4.321 . 0 0 "[ . 1 . 2 ]" 1
389 1 20 LEU QB 1 52 ALA H 0.000 . 4.800 3.429 3.372 3.502 . 0 0 "[ . 1 . 2 ]" 1
390 1 21 THR HA 1 52 ALA H 0.000 . 4.000 3.459 3.403 3.524 . 0 0 "[ . 1 . 2 ]" 1
391 1 26 GLN QG 1 52 ALA H 0.000 . 4.800 2.745 2.664 2.777 . 0 0 "[ . 1 . 2 ]" 1
392 1 46 PHE QE 1 53 SER HB3 0.000 . 4.500 3.696 3.527 3.857 . 0 0 "[ . 1 . 2 ]" 1
393 1 46 PHE QE 1 53 SER HB2 0.000 . 4.000 2.523 2.364 2.743 . 0 0 "[ . 1 . 2 ]" 1
394 1 53 SER HB2 1 58 MET QG 0.000 . 4.800 3.312 3.226 3.395 . 0 0 "[ . 1 . 2 ]" 1
395 1 23 PRO HG3 1 53 SER H 0.000 . 4.000 3.684 3.632 3.771 . 0 0 "[ . 1 . 2 ]" 1
396 1 23 PRO HB3 1 54 SER HB3 0.000 . 2.700 2.417 2.150 2.704 0.004 6 0 "[ . 1 . 2 ]" 1
397 1 23 PRO HB3 1 54 SER H 0.000 . 4.000 4.013 4.003 4.023 0.023 15 0 "[ . 1 . 2 ]" 1
398 1 46 PHE QE 1 54 SER H 0.000 . 4.500 4.490 4.485 4.494 . 0 0 "[ . 1 . 2 ]" 1
399 1 55 PRO HA 1 81 LEU MD2 0.000 . 4.800 3.459 3.060 3.715 . 0 0 "[ . 1 . 2 ]" 1
400 1 27 ALA MB 1 57 CYS HA 0.000 . 4.800 4.010 4.003 4.014 . 0 0 "[ . 1 . 2 ]" 1
401 1 30 TYR HD2 1 57 CYS HA 0.000 . 3.600 3.610 3.605 3.619 0.019 14 0 "[ . 1 . 2 ]" 1
402 1 30 TYR QE 1 57 CYS HB3 0.000 . 3.200 3.035 2.997 3.088 . 0 0 "[ . 1 . 2 ]" 1
403 1 46 PHE QE 1 57 CYS HB3 0.000 . 3.500 3.393 3.095 3.500 . 0 0 "[ . 1 . 2 ]" 1
404 1 46 PHE QE 1 57 CYS HB2 0.000 . 3.500 3.195 3.075 3.246 . 0 0 "[ . 1 . 2 ]" 1
405 1 27 ALA MB 1 57 CYS H 0.000 . 4.800 3.738 3.653 3.897 . 0 0 "[ . 1 . 2 ]" 1
406 1 58 MET ME 1 77 VAL MG1 0.000 . 5.100 2.405 2.101 2.679 . 0 0 "[ . 1 . 2 ]" 1
407 1 58 MET H 1 81 LEU MD2 0.000 . 5.300 4.390 4.243 4.419 . 0 0 "[ . 1 . 2 ]" 1
408 1 30 TYR HD1 1 60 LEU HB3 0.000 . 4.000 4.045 4.036 4.055 0.055 6 0 "[ . 1 . 2 ]" 1
409 1 30 TYR HD1 1 60 LEU HB2 0.000 . 4.000 3.982 3.880 4.010 0.010 21 0 "[ . 1 . 2 ]" 1
410 1 27 ALA MB 1 60 LEU MD1 0.000 . 4.800 3.336 3.330 3.343 . 0 0 "[ . 1 . 2 ]" 1
411 1 30 TYR HB3 1 60 LEU MD1 0.000 . 4.000 2.151 2.077 2.192 . 0 0 "[ . 1 . 2 ]" 1
412 1 30 TYR HB2 1 60 LEU MD1 0.000 . 4.300 1.935 1.931 1.941 . 0 0 "[ . 1 . 2 ]" 1
413 1 31 LYS QB 1 60 LEU MD1 0.000 . 4.800 3.538 3.505 3.601 . 0 0 "[ . 1 . 2 ]" 1
414 1 31 LYS QD 1 60 LEU MD1 0.000 . 4.800 3.544 3.148 3.590 . 0 0 "[ . 1 . 2 ]" 1
415 1 46 PHE QB 1 61 TYR HE1 0.000 . 4.000 3.064 2.849 3.566 . 0 0 "[ . 1 . 2 ]" 1
416 1 42 VAL MG1 1 61 TYR H 0.000 . 4.800 3.745 3.680 3.828 . 0 0 "[ . 1 . 2 ]" 1
417 1 62 MET HA 1 74 ALA MB 0.000 . 4.800 3.871 3.698 4.006 . 0 0 "[ . 1 . 2 ]" 1
418 1 62 MET ME 1 81 LEU MD1 0.000 . 4.800 3.102 2.322 3.333 . 0 0 "[ . 1 . 2 ]" 1
419 1 34 LEU MD2 1 63 GLU H 0.000 . 5.300 4.340 4.220 4.421 . 0 0 "[ . 1 . 2 ]" 1
420 1 34 LEU MD2 1 64 ALA HA 0.000 . 4.000 2.449 2.340 2.590 . 0 0 "[ . 1 . 2 ]" 1
421 1 39 PRO HB3 1 64 ALA HA 0.000 . 2.700 2.172 2.110 2.263 . 0 0 "[ . 1 . 2 ]" 1
422 1 39 PRO HB2 1 64 ALA HA 0.000 . 3.500 3.140 2.986 3.299 . 0 0 "[ . 1 . 2 ]" 1
423 1 34 LEU MD2 1 64 ALA MB 0.000 . 4.300 2.395 2.117 2.596 . 0 0 "[ . 1 . 2 ]" 1
424 1 39 PRO HA 1 64 ALA MB 0.000 . 4.300 2.085 2.048 2.112 . 0 0 "[ . 1 . 2 ]" 1
425 1 39 PRO HB3 1 64 ALA MB 0.000 . 3.200 2.672 2.624 2.689 . 0 0 "[ . 1 . 2 ]" 1
426 1 39 PRO HB2 1 64 ALA MB 0.000 . 3.200 2.672 2.665 2.677 . 0 0 "[ . 1 . 2 ]" 1
427 1 42 VAL MG1 1 64 ALA MB 0.000 . 4.300 2.134 2.060 2.264 . 0 0 "[ . 1 . 2 ]" 1
428 1 34 LEU MD1 1 64 ALA H 0.000 . 4.800 3.208 3.089 3.406 . 0 0 "[ . 1 . 2 ]" 1
429 1 34 LEU MD2 1 64 ALA H 0.000 . 4.300 2.599 2.372 2.739 . 0 0 "[ . 1 . 2 ]" 1
430 1 42 VAL MG1 1 64 ALA H 0.000 . 4.800 3.492 3.436 3.581 . 0 0 "[ . 1 . 2 ]" 1
431 1 65 LEU HA 1 70 ARG QB 0.000 . 4.300 2.959 2.886 3.126 . 0 0 "[ . 1 . 2 ]" 1
432 1 65 LEU HB3 1 74 ALA HA 0.000 . 4.000 3.671 3.512 3.959 . 0 0 "[ . 1 . 2 ]" 1
433 1 65 LEU HB3 1 74 ALA MB 0.000 . 4.000 2.909 2.735 3.200 . 0 0 "[ . 1 . 2 ]" 1
434 1 65 LEU HB2 1 74 ALA HA 0.000 . 4.000 3.197 2.991 3.385 . 0 0 "[ . 1 . 2 ]" 1
435 1 65 LEU HB2 1 74 ALA MB 0.000 . 4.000 2.666 2.429 2.831 . 0 0 "[ . 1 . 2 ]" 1
436 1 65 LEU MD1 1 73 GLU HA 0.000 . 5.800 3.858 3.617 4.272 . 0 0 "[ . 1 . 2 ]" 1
437 1 65 LEU MD1 1 74 ALA HA 0.000 . 4.000 2.393 2.132 2.566 . 0 0 "[ . 1 . 2 ]" 1
438 1 65 LEU MD1 1 74 ALA MB 0.000 . 4.800 3.213 3.057 3.318 . 0 0 "[ . 1 . 2 ]" 1
439 1 65 LEU MD1 1 77 VAL MG2 0.000 . 4.300 2.075 1.942 2.391 . 0 0 "[ . 1 . 2 ]" 1
440 1 65 LEU MD2 1 70 ARG HD3 0.000 . 4.000 3.082 2.067 3.338 . 0 0 "[ . 1 . 2 ]" 1
441 1 65 LEU MD2 1 70 ARG HD2 0.000 . 4.800 2.636 2.009 4.001 . 0 0 "[ . 1 . 2 ]" 1
442 1 66 GLN HA 1 74 ALA MB 0.000 . 4.800 3.431 3.219 3.695 . 0 0 "[ . 1 . 2 ]" 1
443 1 66 GLN QG 1 74 ALA MB 0.000 . 4.800 2.372 2.174 2.668 . 0 0 "[ . 1 . 2 ]" 1
444 1 66 GLN H 1 74 ALA MB 0.000 . 4.300 3.453 3.253 3.589 . 0 0 "[ . 1 . 2 ]" 1
445 1 39 PRO HB3 1 67 ARG HD3 0.000 . 4.000 2.771 2.543 3.978 . 0 0 "[ . 1 . 2 ]" 1
446 1 39 PRO HB3 1 67 ARG HD2 0.000 . 4.000 3.803 2.402 4.012 0.012 10 0 "[ . 1 . 2 ]" 1
447 1 39 PRO QB 1 67 ARG H 0.000 . 5.300 3.952 3.836 4.055 . 0 0 "[ . 1 . 2 ]" 1
448 1 39 PRO QB 1 68 ILE MD 0.000 . 5.600 3.502 3.368 3.643 . 0 0 "[ . 1 . 2 ]" 1
449 1 40 GLN HA 1 68 ILE MD 0.000 . 3.500 2.933 2.925 2.938 . 0 0 "[ . 1 . 2 ]" 1
450 1 43 VAL MG2 1 68 ILE MD 0.000 . 4.800 2.036 1.921 2.196 . 0 0 "[ . 1 . 2 ]" 1
451 1 39 PRO QB 1 68 ILE MG 0.000 . 4.800 1.961 1.921 2.021 . 0 0 "[ . 1 . 2 ]" 1
452 1 39 PRO QG 1 68 ILE MG 0.000 . 4.000 2.094 1.924 2.292 . 0 0 "[ . 1 . 2 ]" 1
453 1 40 GLN HA 1 68 ILE MG 0.000 . 4.300 2.915 2.780 3.095 . 0 0 "[ . 1 . 2 ]" 1
454 1 65 LEU MD2 1 70 ARG HB3 0.000 . 4.800 3.036 2.867 3.220 . 0 0 "[ . 1 . 2 ]" 1
455 1 65 LEU MD2 1 70 ARG HB2 0.000 . 4.800 2.664 2.479 3.721 . 0 0 "[ . 1 . 2 ]" 1
456 1 65 LEU MD1 1 73 GLU HB3 0.000 . 4.800 2.242 1.941 2.601 . 0 0 "[ . 1 . 2 ]" 1
457 1 65 LEU MD2 1 73 GLU HB3 0.000 . 4.800 2.707 2.456 2.979 . 0 0 "[ . 1 . 2 ]" 1
458 1 65 LEU MD1 1 73 GLU HB2 0.000 . 4.800 2.712 2.315 3.998 . 0 0 "[ . 1 . 2 ]" 1
459 1 65 LEU MD2 1 73 GLU HB2 0.000 . 4.800 2.519 2.165 3.958 . 0 0 "[ . 1 . 2 ]" 1
460 1 62 MET HA 1 74 ALA HA 0.000 . 4.000 3.301 3.124 3.450 . 0 0 "[ . 1 . 2 ]" 1
461 1 62 MET HA 1 77 VAL HB 0.000 . 4.000 3.542 3.269 3.773 . 0 0 "[ . 1 . 2 ]" 1
462 1 65 LEU MD1 1 77 VAL HB 0.000 . 5.300 3.553 3.378 3.811 . 0 0 "[ . 1 . 2 ]" 1
463 1 62 MET QG 1 77 VAL MG1 0.000 . 5.300 3.468 3.167 3.710 . 0 0 "[ . 1 . 2 ]" 1
464 1 61 TYR HD2 1 77 VAL MG2 0.000 . 3.500 2.346 2.001 2.913 . 0 0 "[ . 1 . 2 ]" 1
465 1 61 TYR HE2 1 77 VAL MG2 0.000 . 3.500 2.135 1.827 2.848 . 0 0 "[ . 1 . 2 ]" 1
466 1 62 MET HA 1 77 VAL MG2 0.000 . 4.800 3.084 2.724 3.356 . 0 0 "[ . 1 . 2 ]" 1
467 1 58 MET ME 1 80 ASN QB 0.000 . 4.800 2.735 2.152 3.179 . 0 0 "[ . 1 . 2 ]" 1
468 1 58 MET QB 1 81 LEU MD1 0.000 . 4.800 2.875 1.996 3.493 . 0 0 "[ . 1 . 2 ]" 1
469 1 58 MET HB3 1 81 LEU MD2 0.000 . 3.500 2.229 2.048 2.507 . 0 0 "[ . 1 . 2 ]" 1
470 1 58 MET HB2 1 81 LEU MD2 0.000 . 3.500 2.212 2.170 2.297 . 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 52
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 GLN 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 7 ALA O 1 11 THR H 2.200 . 2.600 2.173 2.109 2.210 . 0 0 "[ . 1 . 2 ]" 2
2 1 8 MET O 1 12 ARG H 2.200 . 2.600 2.292 2.244 2.339 . 0 0 "[ . 1 . 2 ]" 2
3 1 9 LEU O 1 13 GLU H 2.200 . 2.600 2.157 2.132 2.206 . 0 0 "[ . 1 . 2 ]" 2
4 1 10 ALA O 1 14 GLN H 2.200 . 2.600 2.047 1.987 2.077 . 0 0 "[ . 1 . 2 ]" 2
5 1 11 THR O 1 15 GLU H 2.200 . 2.600 2.314 2.274 2.369 . 0 0 "[ . 1 . 2 ]" 2
6 1 12 ARG O 1 16 ALA H 2.200 . 2.600 2.222 2.179 2.253 . 0 0 "[ . 1 . 2 ]" 2
7 1 13 GLU O 1 17 ASN H 2.200 . 2.600 1.972 1.946 2.002 . 0 0 "[ . 1 . 2 ]" 2
8 1 14 GLN O 1 18 LYS H 2.200 . 2.600 2.114 2.094 2.173 . 0 0 "[ . 1 . 2 ]" 2
9 1 15 GLU O 1 19 ASP H 2.200 . 2.600 2.172 2.138 2.198 . 0 0 "[ . 1 . 2 ]" 2
10 1 19 ASP O 1 26 GLN HE22 2.200 . 2.600 2.158 2.138 2.173 . 0 0 "[ . 1 . 2 ]" 2
11 1 22 SER O 1 26 GLN H 2.200 . 2.600 2.276 2.252 2.291 . 0 0 "[ . 1 . 2 ]" 2
12 1 23 PRO O 1 27 ALA H 2.200 . 2.600 1.999 1.990 2.015 . 0 0 "[ . 1 . 2 ]" 2
13 1 24 ASP O 1 28 ALA H 2.200 . 2.600 2.320 2.313 2.351 . 0 0 "[ . 1 . 2 ]" 2
14 1 25 ALA O 1 29 PHE H 2.200 . 2.600 2.234 2.217 2.252 . 0 0 "[ . 1 . 2 ]" 2
15 1 30 TYR HH 1 52 ALA O 2.200 . 2.600 2.554 2.533 2.581 . 0 0 "[ . 1 . 2 ]" 2
16 1 26 GLN O 1 30 TYR H 2.200 . 2.600 2.007 1.984 2.034 . 0 0 "[ . 1 . 2 ]" 2
17 1 27 ALA O 1 31 LYS H 2.200 . 2.600 2.190 2.170 2.205 . 0 0 "[ . 1 . 2 ]" 2
18 1 28 ALA O 1 32 LEU H 2.200 . 2.600 2.167 2.151 2.212 . 0 0 "[ . 1 . 2 ]" 2
19 1 29 PHE O 1 33 LEU H 2.200 . 2.600 2.159 2.141 2.195 . 0 0 "[ . 1 . 2 ]" 2
20 1 30 TYR O 1 34 LEU H 2.200 . 2.600 2.257 2.233 2.286 . 0 0 "[ . 1 . 2 ]" 2
21 1 31 LYS O 1 35 GLN H 2.200 . 2.600 2.136 2.124 2.161 . 0 0 "[ . 1 . 2 ]" 2
22 1 32 LEU O 1 36 SER H 2.200 . 2.600 2.126 2.112 2.136 . 0 0 "[ . 1 . 2 ]" 2
23 1 34 LEU O 1 37 ASN H 2.200 . 2.600 2.094 2.083 2.109 . 0 0 "[ . 1 . 2 ]" 2
24 1 33 LEU O 1 38 TYR H 2.200 . 2.600 2.055 2.037 2.071 . 0 0 "[ . 1 . 2 ]" 2
25 1 38 TYR O 1 41 TYR H 2.200 . 2.600 2.107 2.093 2.129 . 0 0 "[ . 1 . 2 ]" 2
26 1 38 TYR O 1 42 VAL H 2.200 . 2.600 2.387 2.370 2.400 . 0 0 "[ . 1 . 2 ]" 2
27 1 39 PRO O 1 43 VAL H 2.200 . 2.600 2.195 2.171 2.230 . 0 0 "[ . 1 . 2 ]" 2
28 1 40 GLN O 1 44 SER H 2.200 . 2.600 2.217 2.203 2.229 . 0 0 "[ . 1 . 2 ]" 2
29 1 41 TYR O 1 45 ARG H 2.200 . 2.600 2.156 2.131 2.170 . 0 0 "[ . 1 . 2 ]" 2
30 1 42 VAL O 1 46 PHE H 2.200 . 2.600 2.045 2.034 2.056 . 0 0 "[ . 1 . 2 ]" 2
31 1 43 VAL O 1 47 GLU H 2.200 . 2.600 2.161 2.141 2.181 . 0 0 "[ . 1 . 2 ]" 2
32 1 45 ARG O 1 48 THR H 2.200 . 2.600 1.977 1.961 1.993 . 0 0 "[ . 1 . 2 ]" 2
33 1 48 THR O 1 51 ILE H 2.200 . 2.600 2.100 2.087 2.113 . 0 0 "[ . 1 . 2 ]" 2
34 1 20 LEU O 1 52 ALA H 2.200 . 2.600 2.138 2.104 2.162 . 0 0 "[ . 1 . 2 ]" 2
35 1 54 SER O 1 58 MET H 2.200 . 2.600 2.097 2.074 2.114 . 0 0 "[ . 1 . 2 ]" 2
36 1 55 PRO O 1 59 GLU H 2.200 . 2.600 2.282 2.265 2.294 . 0 0 "[ . 1 . 2 ]" 2
37 1 56 GLU O 1 60 LEU H 2.200 . 2.600 2.236 2.215 2.283 . 0 0 "[ . 1 . 2 ]" 2
38 1 57 CYS O 1 61 TYR H 2.200 . 2.600 2.042 2.014 2.058 . 0 0 "[ . 1 . 2 ]" 2
39 1 58 MET O 1 62 MET H 2.200 . 2.600 2.138 2.096 2.171 . 0 0 "[ . 1 . 2 ]" 2
40 1 59 GLU O 1 63 GLU H 2.200 . 2.600 2.197 2.177 2.223 . 0 0 "[ . 1 . 2 ]" 2
41 1 60 LEU O 1 64 ALA H 2.200 . 2.600 2.207 2.180 2.239 . 0 0 "[ . 1 . 2 ]" 2
42 1 61 TYR O 1 65 LEU H 2.200 . 2.600 2.172 2.137 2.208 . 0 0 "[ . 1 . 2 ]" 2
43 1 62 MET O 1 66 GLN H 2.200 . 2.600 2.230 2.150 2.266 . 0 0 "[ . 1 . 2 ]" 2
44 1 63 GLU O 1 67 ARG H 2.200 . 2.600 2.214 2.167 2.241 . 0 0 "[ . 1 . 2 ]" 2
45 1 64 ALA O 1 68 ILE H 2.200 . 2.600 2.252 2.236 2.284 . 0 0 "[ . 1 . 2 ]" 2
46 1 66 GLN O 1 69 GLY H 2.200 . 2.600 2.069 2.049 2.098 . 0 0 "[ . 1 . 2 ]" 2
47 1 65 LEU O 1 70 ARG H 2.200 . 2.600 2.118 2.076 2.158 . 0 0 "[ . 1 . 2 ]" 2
48 1 71 HIS O 1 75 ASP H 2.200 . 2.600 2.136 2.104 2.154 . 0 0 "[ . 1 . 2 ]" 2
49 1 72 SER O 1 76 ALA H 2.200 . 2.600 2.275 2.257 2.339 . 0 0 "[ . 1 . 2 ]" 2
50 1 73 GLU O 1 77 VAL H 2.200 . 2.600 2.205 2.172 2.235 . 0 0 "[ . 1 . 2 ]" 2
51 1 74 ALA O 1 78 ARG H 2.200 . 2.600 2.129 2.057 2.193 . 0 0 "[ . 1 . 2 ]" 2
52 1 75 ASP O 1 79 GLN H 2.200 . 2.600 2.197 2.172 2.228 . 0 0 "[ . 1 . 2 ]" 2
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