NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586742 |
2muy   |
25235 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2muy
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 344
_Distance_constraint_stats_list.Viol_count 759
_Distance_constraint_stats_list.Viol_total 669.484
_Distance_constraint_stats_list.Viol_max 0.460
_Distance_constraint_stats_list.Viol_rms 0.0302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0441
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 11 0 "[ . 1 . 2]"
1 10 VAL 0.365 0.030 19 0 "[ . 1 . 2]"
1 11 ASP 6.627 0.390 9 0 "[ . 1 . 2]"
1 12 TYR 6.196 0.390 9 0 "[ . 1 . 2]"
1 13 SER 0.385 0.027 12 0 "[ . 1 . 2]"
1 14 THR 0.530 0.027 12 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 1.467 0.044 17 0 "[ . 1 . 2]"
1 17 GLN 1.613 0.044 17 0 "[ . 1 . 2]"
1 18 GLU 1.069 0.041 19 0 "[ . 1 . 2]"
1 19 VAL 0.922 0.041 19 0 "[ . 1 . 2]"
1 20 ASN 1.210 0.037 17 0 "[ . 1 . 2]"
1 21 ASN 0.922 0.039 18 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.909 0.063 19 0 "[ . 1 . 2]"
1 24 VAL 0.919 0.063 19 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.307 0.028 17 0 "[ . 1 . 2]"
1 27 ALA 0.083 0.015 13 0 "[ . 1 . 2]"
1 28 ARG 1.078 0.065 16 0 "[ . 1 . 2]"
1 29 ILE 0.551 0.060 15 0 "[ . 1 . 2]"
1 30 ASN 0.409 0.035 7 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.196 0.040 19 0 "[ . 1 . 2]"
1 33 GLU 0.453 0.035 7 0 "[ . 1 . 2]"
1 34 ILE 0.735 0.060 15 0 "[ . 1 . 2]"
1 35 ASN 2.441 0.087 17 0 "[ . 1 . 2]"
1 36 VAL 0.047 0.006 4 0 "[ . 1 . 2]"
1 37 THR 0.710 0.033 13 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.402 0.043 10 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.403 0.033 13 0 "[ . 1 . 2]"
1 44 TYR 0.026 0.006 15 0 "[ . 1 . 2]"
1 45 THR 0.003 0.002 20 0 "[ . 1 . 2]"
1 46 THR 1.479 0.087 17 0 "[ . 1 . 2]"
1 47 TYR 0.753 0.034 18 0 "[ . 1 . 2]"
1 48 ILE 9.702 0.460 10 0 "[ . 1 . 2]"
1 49 PRO 2.321 0.086 1 0 "[ . 1 . 2]"
1 50 VAL 9.176 0.460 10 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.335 0.024 13 0 "[ . 1 . 2]"
1 54 LYS 0.335 0.024 13 0 "[ . 1 . 2]"
1 55 LEU 1.004 0.049 19 0 "[ . 1 . 2]"
1 56 LEU 1.253 0.049 19 0 "[ . 1 . 2]"
1 57 ASP 1.230 0.044 13 0 "[ . 1 . 2]"
1 58 ASN 0.295 0.027 14 0 "[ . 1 . 2]"
1 59 LEU 1.874 0.055 8 0 "[ . 1 . 2]"
1 60 LEU 2.574 0.056 16 0 "[ . 1 . 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.163 0.030 14 0 "[ . 1 . 2]"
1 63 ASN 0.112 0.015 9 0 "[ . 1 . 2]"
1 64 VAL 1.800 0.056 16 0 "[ . 1 . 2]"
1 65 LYS 0.083 0.015 13 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.010 0.010 9 0 "[ . 1 . 2]"
1 69 GLU 0.165 0.041 16 0 "[ . 1 . 2]"
1 70 PRO 0.165 0.041 16 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.049 0.032 2 0 "[ . 1 . 2]"
1 73 GLU 0.077 0.032 2 0 "[ . 1 . 2]"
1 74 PRO 0.522 0.066 9 0 "[ . 1 . 2]"
1 75 LEU 0.493 0.066 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ARG H 1 8 ARG HA 2.700 2.700 7.700 2.832 2.829 2.837 . 0 0 "[ . 1 . 2]" 1
2 1 9 LYS H 1 9 LYS HA 2.700 2.700 7.700 2.906 2.891 2.918 . 0 0 "[ . 1 . 2]" 1
3 1 10 VAL H 1 10 VAL HA 2.700 2.700 7.700 2.956 2.950 2.958 . 0 0 "[ . 1 . 2]" 1
4 1 11 ASP H 1 11 ASP HA 2.700 2.700 7.700 2.870 2.859 2.881 . 0 0 "[ . 1 . 2]" 1
5 1 12 TYR H 1 12 TYR HA 2.700 2.700 7.700 2.781 2.777 2.787 . 0 0 "[ . 1 . 2]" 1
6 1 13 SER H 1 13 SER HA 2.700 2.700 7.700 2.808 2.806 2.811 . 0 0 "[ . 1 . 2]" 1
7 1 14 THR H 1 14 THR HA 2.700 2.700 7.700 2.851 2.849 2.852 . 0 0 "[ . 1 . 2]" 1
8 1 15 PHE H 1 15 PHE HA 2.700 2.700 7.700 2.792 2.791 2.792 . 0 0 "[ . 1 . 2]" 1
9 1 16 LEU H 1 16 LEU HA 2.700 2.700 7.700 2.807 2.806 2.808 . 0 0 "[ . 1 . 2]" 1
10 1 17 GLN H 1 17 GLN HA 2.700 2.700 7.700 2.824 2.822 2.826 . 0 0 "[ . 1 . 2]" 1
11 1 18 GLU H 1 18 GLU HA 2.700 2.700 7.700 2.812 2.810 2.815 . 0 0 "[ . 1 . 2]" 1
12 1 19 VAL H 1 19 VAL HA 2.700 2.700 7.700 2.791 2.783 2.798 . 0 0 "[ . 1 . 2]" 1
13 1 20 ASN H 1 20 ASN HA 2.700 2.700 7.700 2.801 2.796 2.802 . 0 0 "[ . 1 . 2]" 1
14 1 21 ASN HB2 1 21 ASN HD21 0.000 . 3.200 2.402 2.304 2.445 . 0 0 "[ . 1 . 2]" 1
15 1 21 ASN H 1 21 ASN HA 2.700 2.700 7.700 2.906 2.897 2.910 . 0 0 "[ . 1 . 2]" 1
16 1 22 ASP H 1 22 ASP HA 0.000 . 2.700 2.286 2.273 2.290 . 0 0 "[ . 1 . 2]" 1
17 1 23 GLN H 1 23 GLN HA 2.700 2.700 7.700 2.928 2.917 2.967 . 0 0 "[ . 1 . 2]" 1
18 1 24 VAL H 1 24 VAL HA 2.700 2.700 7.700 2.900 2.896 2.903 . 0 0 "[ . 1 . 2]" 1
19 1 25 ARG H 1 25 ARG HA 2.700 2.700 7.700 2.954 2.945 2.972 . 0 0 "[ . 1 . 2]" 1
20 1 26 GLU H 1 26 GLU HA 2.700 2.700 7.700 2.957 2.944 2.970 . 0 0 "[ . 1 . 2]" 1
21 1 27 ALA H 1 27 ALA HA 2.700 2.700 7.700 2.951 2.945 2.956 . 0 0 "[ . 1 . 2]" 1
22 1 28 ARG H 1 28 ARG HA 2.700 2.700 7.700 2.934 2.930 2.938 . 0 0 "[ . 1 . 2]" 1
23 1 29 ILE H 1 29 ILE HA 2.700 2.700 7.700 2.956 2.951 2.961 . 0 0 "[ . 1 . 2]" 1
24 1 30 ASN H 1 30 ASN HA 2.700 2.700 7.700 2.937 2.933 2.940 . 0 0 "[ . 1 . 2]" 1
25 1 31 GLY H 1 31 GLY HA3 2.700 2.700 7.700 2.818 2.816 2.820 . 0 0 "[ . 1 . 2]" 1
26 1 31 GLY H 1 31 GLY HA2 0.000 . 2.700 2.301 2.298 2.303 . 0 0 "[ . 1 . 2]" 1
27 1 32 ARG H 1 32 ARG HA 2.700 2.700 7.700 2.893 2.886 2.907 . 0 0 "[ . 1 . 2]" 1
28 1 33 GLU H 1 33 GLU HA 2.700 2.700 7.700 2.947 2.939 2.956 . 0 0 "[ . 1 . 2]" 1
29 1 34 ILE H 1 34 ILE HA 2.700 2.700 7.700 2.967 2.964 2.974 . 0 0 "[ . 1 . 2]" 1
30 1 35 ASN H 1 35 ASN HA 2.700 2.700 7.700 2.961 2.956 2.965 . 0 0 "[ . 1 . 2]" 1
31 1 36 VAL H 1 36 VAL HA 2.700 2.700 7.700 2.968 2.966 2.970 . 0 0 "[ . 1 . 2]" 1
32 1 37 THR H 1 37 THR HA 2.700 2.700 7.700 2.966 2.965 2.967 . 0 0 "[ . 1 . 2]" 1
33 1 38 LYS H 1 38 LYS HA 2.700 2.700 7.700 2.899 2.895 2.909 . 0 0 "[ . 1 . 2]" 1
34 1 39 LYS H 1 39 LYS HA 2.700 2.700 7.700 2.781 2.769 2.787 . 0 0 "[ . 1 . 2]" 1
35 1 41 SER H 1 41 SER HA 0.000 . 2.700 2.279 2.269 2.283 . 0 0 "[ . 1 . 2]" 1
36 1 42 ASN H 1 42 ASN HA 2.700 2.700 7.700 2.865 2.860 2.870 . 0 0 "[ . 1 . 2]" 1
37 1 42 ASN H 1 42 ASN HB2 0.000 . 2.700 2.459 2.427 2.498 . 0 0 "[ . 1 . 2]" 1
38 1 43 ARG H 1 43 ARG HA 2.700 2.700 7.700 2.967 2.965 2.968 . 0 0 "[ . 1 . 2]" 1
39 1 44 TYR H 1 44 TYR HA 2.700 2.700 7.700 2.905 2.902 2.907 . 0 0 "[ . 1 . 2]" 1
40 1 45 THR H 1 45 THR HA 2.700 2.700 7.700 2.961 2.958 2.965 . 0 0 "[ . 1 . 2]" 1
41 1 46 THR H 1 46 THR HA 2.700 2.700 7.700 2.969 2.966 2.973 . 0 0 "[ . 1 . 2]" 1
42 1 47 TYR H 1 47 TYR HA 2.700 2.700 7.700 2.955 2.951 2.959 . 0 0 "[ . 1 . 2]" 1
43 1 48 ILE H 1 48 ILE HA 2.700 2.700 7.700 2.924 2.916 2.936 . 0 0 "[ . 1 . 2]" 1
44 1 50 VAL H 1 50 VAL HA 2.700 2.700 7.700 2.935 2.929 2.941 . 0 0 "[ . 1 . 2]" 1
45 1 52 ASP H 1 52 ASP HA 2.700 2.700 7.700 2.966 2.963 2.968 . 0 0 "[ . 1 . 2]" 1
46 1 54 LYS H 1 54 LYS HA 2.700 2.700 7.700 2.841 2.838 2.843 . 0 0 "[ . 1 . 2]" 1
47 1 55 LEU H 1 55 LEU HA 2.700 2.700 7.700 2.799 2.794 2.805 . 0 0 "[ . 1 . 2]" 1
48 1 56 LEU H 1 56 LEU HA 2.700 2.700 7.700 2.817 2.813 2.819 . 0 0 "[ . 1 . 2]" 1
49 1 57 ASP H 1 57 ASP HA 2.700 2.700 7.700 2.817 2.810 2.821 . 0 0 "[ . 1 . 2]" 1
50 1 58 ASN H 1 58 ASN HA 2.700 2.700 7.700 2.804 2.803 2.806 . 0 0 "[ . 1 . 2]" 1
51 1 59 LEU H 1 59 LEU HA 2.700 2.700 7.700 2.807 2.803 2.811 . 0 0 "[ . 1 . 2]" 1
52 1 62 LYS H 1 62 LYS HA 2.700 2.700 7.700 2.900 2.896 2.904 . 0 0 "[ . 1 . 2]" 1
53 1 63 ASN H 1 63 ASN HA 0.000 . 2.700 2.279 2.274 2.284 . 0 0 "[ . 1 . 2]" 1
54 1 64 VAL H 1 64 VAL HA 2.700 2.700 7.700 2.935 2.928 2.941 . 0 0 "[ . 1 . 2]" 1
55 1 65 LYS H 1 65 LYS HA 2.700 2.700 7.700 2.867 2.862 2.876 . 0 0 "[ . 1 . 2]" 1
56 1 66 VAL H 1 66 VAL HA 2.700 2.700 7.700 2.964 2.958 2.967 . 0 0 "[ . 1 . 2]" 1
57 1 67 VAL H 1 67 VAL HA 2.700 2.700 7.700 2.971 2.967 2.973 . 0 0 "[ . 1 . 2]" 1
58 1 68 GLY H 1 68 GLY HA3 0.000 . 2.700 2.458 2.376 2.534 . 0 0 "[ . 1 . 2]" 1
59 1 68 GLY H 1 68 GLY HA2 2.700 2.700 7.700 2.967 2.939 2.974 . 0 0 "[ . 1 . 2]" 1
60 1 69 GLU H 1 69 GLU HA 2.700 2.700 7.700 2.908 2.897 2.922 . 0 0 "[ . 1 . 2]" 1
61 1 72 GLU H 1 72 GLU HA 2.700 2.700 7.700 2.947 2.879 2.966 . 0 0 "[ . 1 . 2]" 1
62 1 73 GLU H 1 73 GLU HA 2.700 2.700 7.700 2.955 2.912 2.965 . 0 0 "[ . 1 . 2]" 1
63 1 8 ARG HA 1 9 LYS H 0.000 . 2.700 2.272 2.240 2.286 . 0 0 "[ . 1 . 2]" 1
64 1 8 ARG QB 1 9 LYS H 0.000 . 4.000 2.845 2.815 2.898 . 0 0 "[ . 1 . 2]" 1
65 1 8 ARG QG 1 9 LYS H 3.500 3.500 5.800 4.096 3.955 4.570 . 0 0 "[ . 1 . 2]" 1
66 1 9 LYS HA 1 10 VAL H 0.000 . 2.700 2.190 2.164 2.223 . 0 0 "[ . 1 . 2]" 1
67 1 9 LYS QB 1 10 VAL H 0.000 . 4.000 3.190 3.026 3.642 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL HA 1 11 ASP H 0.000 . 2.700 2.126 2.107 2.143 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL HB 1 11 ASP H 3.200 3.200 8.200 4.141 4.102 4.185 . 0 0 "[ . 1 . 2]" 1
70 1 11 ASP H 1 12 TYR H 3.200 3.200 8.200 4.637 4.621 4.649 . 0 0 "[ . 1 . 2]" 1
71 1 11 ASP HA 1 12 TYR H 0.000 . 2.700 2.289 2.277 2.300 . 0 0 "[ . 1 . 2]" 1
72 1 11 ASP QB 1 12 TYR H 3.200 3.200 8.200 2.949 2.810 3.493 0.390 9 0 "[ . 1 . 2]" 1
73 1 12 TYR H 1 13 SER H 0.000 . 3.200 2.820 2.797 2.833 . 0 0 "[ . 1 . 2]" 1
74 1 12 TYR HA 1 13 SER H 3.200 3.200 8.200 3.551 3.546 3.556 . 0 0 "[ . 1 . 2]" 1
75 1 12 TYR HB3 1 13 SER H 0.000 . 3.200 2.724 2.688 2.762 . 0 0 "[ . 1 . 2]" 1
76 1 13 SER H 1 14 THR H 0.000 . 2.700 2.719 2.708 2.727 0.027 12 0 "[ . 1 . 2]" 1
77 1 13 SER HA 1 14 THR H 3.200 3.200 8.200 3.545 3.541 3.548 . 0 0 "[ . 1 . 2]" 1
78 1 14 THR H 1 15 PHE H 0.000 . 2.700 2.618 2.611 2.625 . 0 0 "[ . 1 . 2]" 1
79 1 14 THR HA 1 15 PHE H 3.200 3.200 8.200 3.548 3.545 3.552 . 0 0 "[ . 1 . 2]" 1
80 1 15 PHE H 1 16 LEU H 0.000 . 3.200 2.817 2.806 2.825 . 0 0 "[ . 1 . 2]" 1
81 1 15 PHE HD2 1 16 LEU MD2 0.000 . 4.800 2.305 2.177 2.446 . 0 0 "[ . 1 . 2]" 1
82 1 15 PHE HE2 1 16 LEU MD2 0.000 . 4.800 3.306 3.143 3.546 . 0 0 "[ . 1 . 2]" 1
83 1 15 PHE HA 1 16 LEU H 3.200 3.200 8.200 3.569 3.565 3.572 . 0 0 "[ . 1 . 2]" 1
84 1 16 LEU H 1 17 GLN H 0.000 . 2.700 2.740 2.734 2.744 0.044 17 0 "[ . 1 . 2]" 1
85 1 16 LEU HA 1 17 GLN H 3.200 3.200 8.200 3.549 3.546 3.553 . 0 0 "[ . 1 . 2]" 1
86 1 16 LEU HB2 1 17 GLN H 0.000 . 3.200 2.602 2.562 2.638 . 0 0 "[ . 1 . 2]" 1
87 1 17 GLN H 1 18 GLU H 0.000 . 2.700 2.724 2.717 2.731 0.031 12 0 "[ . 1 . 2]" 1
88 1 17 GLN HA 1 18 GLU H 3.200 3.200 8.200 3.550 3.544 3.555 . 0 0 "[ . 1 . 2]" 1
89 1 18 GLU H 1 19 VAL H 0.000 . 2.700 2.729 2.724 2.741 0.041 19 0 "[ . 1 . 2]" 1
90 1 18 GLU HA 1 19 VAL H 3.200 3.200 8.200 3.549 3.544 3.560 . 0 0 "[ . 1 . 2]" 1
91 1 19 VAL H 1 20 ASN H 0.000 . 3.000 2.810 2.798 2.836 . 0 0 "[ . 1 . 2]" 1
92 1 19 VAL HA 1 20 ASN H 3.200 3.200 8.200 3.569 3.564 3.572 . 0 0 "[ . 1 . 2]" 1
93 1 19 VAL HB 1 20 ASN H 0.000 . 3.200 2.473 2.427 2.517 . 0 0 "[ . 1 . 2]" 1
94 1 19 VAL MG1 1 20 ASN H 0.000 . 4.000 3.346 3.337 3.365 . 0 0 "[ . 1 . 2]" 1
95 1 20 ASN H 1 21 ASN H 0.000 . 2.700 2.727 2.718 2.737 0.037 17 0 "[ . 1 . 2]" 1
96 1 20 ASN HA 1 21 ASN H 3.200 3.200 8.200 3.513 3.504 3.517 . 0 0 "[ . 1 . 2]" 1
97 1 20 ASN QB 1 21 ASN H 0.000 . 3.500 2.752 2.739 2.779 . 0 0 "[ . 1 . 2]" 1
98 1 21 ASN HA 1 22 ASP H 3.200 3.200 8.200 3.237 3.220 3.287 . 0 0 "[ . 1 . 2]" 1
99 1 22 ASP HA 1 23 GLN H 2.700 2.700 7.700 2.912 2.885 2.942 . 0 0 "[ . 1 . 2]" 1
100 1 22 ASP HB3 1 23 GLN H 3.200 3.200 5.000 4.153 4.142 4.185 . 0 0 "[ . 1 . 2]" 1
101 1 22 ASP HB2 1 23 GLN H 3.200 3.200 5.000 4.598 4.573 4.626 . 0 0 "[ . 1 . 2]" 1
102 1 23 GLN H 1 24 VAL H 0.000 . 2.700 2.329 2.193 2.375 . 0 0 "[ . 1 . 2]" 1
103 1 23 GLN HA 1 24 VAL H 2.700 2.700 7.700 3.470 3.439 3.487 . 0 0 "[ . 1 . 2]" 1
104 1 23 GLN HB3 1 24 VAL H 3.200 3.200 5.000 4.049 4.004 4.114 . 0 0 "[ . 1 . 2]" 1
105 1 23 GLN HB2 1 24 VAL H 3.200 3.200 5.000 3.193 3.137 3.379 0.063 19 0 "[ . 1 . 2]" 1
106 1 24 VAL HA 1 25 ARG H 0.000 . 2.700 2.215 2.197 2.266 . 0 0 "[ . 1 . 2]" 1
107 1 24 VAL HB 1 25 ARG H 3.200 3.200 5.000 4.017 3.972 4.045 . 0 0 "[ . 1 . 2]" 1
108 1 25 ARG H 1 26 GLU H 0.000 . 2.700 2.177 2.038 2.227 . 0 0 "[ . 1 . 2]" 1
109 1 25 ARG HA 1 26 GLU H 2.700 2.700 7.700 3.555 3.547 3.560 . 0 0 "[ . 1 . 2]" 1
110 1 26 GLU H 1 27 ALA H 3.200 3.200 8.200 4.378 4.356 4.391 . 0 0 "[ . 1 . 2]" 1
111 1 26 GLU HA 1 27 ALA H 0.000 . 2.700 2.199 2.169 2.219 . 0 0 "[ . 1 . 2]" 1
112 1 27 ALA H 1 28 ARG H 3.200 3.200 8.200 4.101 4.084 4.117 . 0 0 "[ . 1 . 2]" 1
113 1 27 ALA HA 1 28 ARG H 0.000 . 2.700 2.129 2.124 2.132 . 0 0 "[ . 1 . 2]" 1
114 1 28 ARG H 1 29 ILE H 3.200 3.200 8.200 4.517 4.502 4.544 . 0 0 "[ . 1 . 2]" 1
115 1 28 ARG HA 1 29 ILE H 0.000 . 2.700 2.204 2.195 2.227 . 0 0 "[ . 1 . 2]" 1
116 1 29 ILE HA 1 30 ASN H 0.000 . 2.700 2.141 2.132 2.161 . 0 0 "[ . 1 . 2]" 1
117 1 30 ASN HA 1 31 GLY H 0.000 . 2.700 2.231 2.194 2.353 . 0 0 "[ . 1 . 2]" 1
118 1 31 GLY H 1 32 ARG H 3.500 3.500 8.500 4.551 4.486 4.571 . 0 0 "[ . 1 . 2]" 1
119 1 31 GLY HA3 1 32 ARG H 0.000 . 2.700 2.153 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
120 1 31 GLY HA2 1 32 ARG H 2.700 2.700 7.700 3.190 3.174 3.280 . 0 0 "[ . 1 . 2]" 1
121 1 32 ARG H 1 33 GLU H 0.000 . 2.700 2.549 2.518 2.563 . 0 0 "[ . 1 . 2]" 1
122 1 32 ARG HA 1 33 GLU H 2.700 2.700 7.700 3.445 3.401 3.478 . 0 0 "[ . 1 . 2]" 1
123 1 33 GLU H 1 34 ILE H 3.200 3.200 8.200 4.503 4.486 4.520 . 0 0 "[ . 1 . 2]" 1
124 1 33 GLU HA 1 34 ILE H 0.000 . 2.700 2.191 2.176 2.213 . 0 0 "[ . 1 . 2]" 1
125 1 34 ILE H 1 35 ASN H 3.200 3.200 8.200 4.368 4.348 4.397 . 0 0 "[ . 1 . 2]" 1
126 1 34 ILE HA 1 35 ASN H 0.000 . 2.700 2.187 2.178 2.197 . 0 0 "[ . 1 . 2]" 1
127 1 35 ASN HA 1 36 VAL H 0.000 . 2.700 2.224 2.196 2.235 . 0 0 "[ . 1 . 2]" 1
128 1 36 VAL H 1 37 THR H 3.200 3.200 8.200 4.392 4.367 4.412 . 0 0 "[ . 1 . 2]" 1
129 1 36 VAL HA 1 37 THR H 0.000 . 2.700 2.154 2.144 2.162 . 0 0 "[ . 1 . 2]" 1
130 1 37 THR H 1 38 LYS H 3.200 3.200 8.200 4.336 4.315 4.364 . 0 0 "[ . 1 . 2]" 1
131 1 37 THR HA 1 38 LYS H 0.000 . 2.700 2.160 2.148 2.174 . 0 0 "[ . 1 . 2]" 1
132 1 38 LYS H 1 39 LYS H 3.200 3.200 8.200 4.611 4.592 4.620 . 0 0 "[ . 1 . 2]" 1
133 1 38 LYS HA 1 39 LYS H 0.000 . 2.700 2.346 2.327 2.386 . 0 0 "[ . 1 . 2]" 1
134 1 40 ASP HA 1 41 SER H 2.700 2.700 7.700 3.166 3.131 3.195 . 0 0 "[ . 1 . 2]" 1
135 1 41 SER H 1 42 ASN H 2.700 2.700 3.200 2.860 2.848 2.878 . 0 0 "[ . 1 . 2]" 1
136 1 41 SER HA 1 42 ASN H 2.700 2.700 7.700 3.373 3.363 3.380 . 0 0 "[ . 1 . 2]" 1
137 1 42 ASN HA 1 43 ARG H 0.000 . 2.700 2.225 2.203 2.245 . 0 0 "[ . 1 . 2]" 1
138 1 43 ARG HA 1 44 TYR H 0.000 . 2.700 2.205 2.192 2.224 . 0 0 "[ . 1 . 2]" 1
139 1 44 TYR H 1 45 THR H 3.200 3.200 8.200 4.392 4.388 4.394 . 0 0 "[ . 1 . 2]" 1
140 1 44 TYR HA 1 45 THR H 0.000 . 2.700 2.396 2.384 2.407 . 0 0 "[ . 1 . 2]" 1
141 1 45 THR HA 1 46 THR H 0.000 . 2.700 2.189 2.165 2.205 . 0 0 "[ . 1 . 2]" 1
142 1 45 THR MG 1 46 THR H 0.000 . 3.500 2.424 2.253 2.545 . 0 0 "[ . 1 . 2]" 1
143 1 46 THR H 1 47 TYR H 3.200 3.200 8.200 4.442 4.423 4.457 . 0 0 "[ . 1 . 2]" 1
144 1 46 THR HA 1 47 TYR H 0.000 . 2.700 2.212 2.196 2.228 . 0 0 "[ . 1 . 2]" 1
145 1 47 TYR H 1 48 ILE H 3.200 3.200 8.200 4.529 4.509 4.571 . 0 0 "[ . 1 . 2]" 1
146 1 48 ILE HA 1 49 PRO HD3 0.000 . 2.700 2.749 2.534 2.786 0.086 1 0 "[ . 1 . 2]" 1
147 1 47 TYR HA 1 48 ILE H 0.000 . 2.700 2.234 2.212 2.287 . 0 0 "[ . 1 . 2]" 1
148 1 48 ILE H 1 49 PRO HD3 3.200 3.200 8.200 4.620 4.255 4.852 . 0 0 "[ . 1 . 2]" 1
149 1 48 ILE H 1 49 PRO HD2 3.200 3.200 8.200 4.803 4.740 4.952 . 0 0 "[ . 1 . 2]" 1
150 1 48 ILE MG 1 49 PRO HD2 0.000 . 4.000 2.780 2.526 2.988 . 0 0 "[ . 1 . 2]" 1
151 1 49 PRO HA 1 50 VAL H 2.700 2.700 7.700 3.565 3.555 3.576 . 0 0 "[ . 1 . 2]" 1
152 1 49 PRO HD3 1 50 VAL H 4.000 4.000 9.000 4.164 4.137 4.303 . 0 0 "[ . 1 . 2]" 1
153 1 49 PRO HD2 1 50 VAL H 3.200 3.200 4.000 3.149 3.125 3.177 0.075 14 0 "[ . 1 . 2]" 1
154 1 52 ASP HA 1 53 PRO HD3 0.000 . 2.700 2.397 2.355 2.488 . 0 0 "[ . 1 . 2]" 1
155 1 52 ASP HA 1 53 PRO HD2 0.000 . 2.700 2.572 2.536 2.598 . 0 0 "[ . 1 . 2]" 1
156 1 51 GLN HA 1 52 ASP H 0.000 . 2.700 2.154 2.147 2.164 . 0 0 "[ . 1 . 2]" 1
157 1 53 PRO HA 1 54 LYS H 3.200 3.200 8.200 3.512 3.506 3.517 . 0 0 "[ . 1 . 2]" 1
158 1 53 PRO HD2 1 54 LYS H 0.000 . 2.700 2.717 2.696 2.724 0.024 13 0 "[ . 1 . 2]" 1
159 1 54 LYS H 1 55 LEU H 0.000 . 2.700 2.640 2.631 2.655 . 0 0 "[ . 1 . 2]" 1
160 1 54 LYS HA 1 55 LEU H 3.200 3.200 8.200 3.505 3.482 3.518 . 0 0 "[ . 1 . 2]" 1
161 1 55 LEU H 1 56 LEU H 0.000 . 2.700 2.735 2.726 2.749 0.049 19 0 "[ . 1 . 2]" 1
162 1 55 LEU HA 1 56 LEU H 3.200 3.200 8.200 3.537 3.534 3.543 . 0 0 "[ . 1 . 2]" 1
163 1 56 LEU H 1 57 ASP H 0.000 . 2.700 2.727 2.713 2.735 0.035 13 0 "[ . 1 . 2]" 1
164 1 56 LEU HA 1 57 ASP H 3.200 3.200 8.200 3.554 3.552 3.556 . 0 0 "[ . 1 . 2]" 1
165 1 57 ASP HA 1 58 ASN H 3.200 3.200 8.200 3.545 3.543 3.551 . 0 0 "[ . 1 . 2]" 1
166 1 58 ASN HA 1 59 LEU H 3.200 3.200 8.200 3.573 3.571 3.576 . 0 0 "[ . 1 . 2]" 1
167 1 59 LEU H 1 60 LEU H 0.000 . 2.700 2.742 2.739 2.746 0.046 9 0 "[ . 1 . 2]" 1
168 1 59 LEU HA 1 60 LEU H 2.700 2.700 7.700 3.543 3.539 3.547 . 0 0 "[ . 1 . 2]" 1
169 1 60 LEU H 1 61 THR H 0.000 . 2.700 2.684 2.672 2.696 . 0 0 "[ . 1 . 2]" 1
170 1 60 LEU HA 1 61 THR H 2.700 2.700 7.700 3.567 3.561 3.571 . 0 0 "[ . 1 . 2]" 1
171 1 61 THR H 1 62 LYS H 0.000 . 3.200 2.738 2.732 2.751 . 0 0 "[ . 1 . 2]" 1
172 1 61 THR HA 1 62 LYS H 3.200 3.200 8.200 3.518 3.512 3.529 . 0 0 "[ . 1 . 2]" 1
173 1 62 LYS H 1 63 ASN H 0.000 . 3.200 2.654 2.642 2.665 . 0 0 "[ . 1 . 2]" 1
174 1 62 LYS HA 1 63 ASN H 3.200 3.200 8.200 3.302 3.286 3.314 . 0 0 "[ . 1 . 2]" 1
175 1 62 LYS HB3 1 63 ASN H 3.200 3.200 5.000 4.320 4.263 4.358 . 0 0 "[ . 1 . 2]" 1
176 1 62 LYS HB2 1 63 ASN H 3.200 3.200 5.000 3.650 3.621 3.700 . 0 0 "[ . 1 . 2]" 1
177 1 63 ASN HA 1 64 VAL H 2.700 2.700 7.700 2.814 2.796 2.832 . 0 0 "[ . 1 . 2]" 1
178 1 64 VAL HA 1 65 LYS H 0.000 . 2.700 2.257 2.232 2.290 . 0 0 "[ . 1 . 2]" 1
179 1 65 LYS H 1 66 VAL H 3.200 3.200 8.200 4.590 4.476 4.614 . 0 0 "[ . 1 . 2]" 1
180 1 65 LYS HA 1 66 VAL H 0.000 . 2.700 2.198 2.177 2.218 . 0 0 "[ . 1 . 2]" 1
181 1 66 VAL HA 1 67 VAL H 0.000 . 2.700 2.132 2.121 2.143 . 0 0 "[ . 1 . 2]" 1
182 1 67 VAL H 1 68 GLY H 3.200 3.200 8.200 4.395 4.367 4.427 . 0 0 "[ . 1 . 2]" 1
183 1 67 VAL HA 1 68 GLY H 0.000 . 2.700 2.205 2.190 2.234 . 0 0 "[ . 1 . 2]" 1
184 1 68 GLY H 1 69 GLU H 3.200 3.200 8.200 4.400 4.323 4.512 . 0 0 "[ . 1 . 2]" 1
185 1 68 GLY HA3 1 69 GLU H 2.700 2.700 7.700 3.207 3.190 3.212 . 0 0 "[ . 1 . 2]" 1
186 1 68 GLY HA2 1 69 GLU H 0.000 . 2.700 2.166 2.150 2.203 . 0 0 "[ . 1 . 2]" 1
187 1 69 GLU H 1 70 PRO HD3 3.200 3.200 8.200 3.326 3.159 4.395 0.041 16 0 "[ . 1 . 2]" 1
188 1 69 GLU H 1 70 PRO HD2 3.200 3.200 8.200 4.331 3.834 5.197 . 0 0 "[ . 1 . 2]" 1
189 1 71 PRO HA 1 72 GLU H 0.000 . 2.700 2.232 2.170 2.270 . 0 0 "[ . 1 . 2]" 1
190 1 71 PRO HD3 1 72 GLU H 3.200 3.200 8.200 5.739 5.676 5.783 . 0 0 "[ . 1 . 2]" 1
191 1 71 PRO HD2 1 72 GLU H 3.200 3.200 8.200 5.523 5.470 5.551 . 0 0 "[ . 1 . 2]" 1
192 1 72 GLU HA 1 73 GLU H 0.000 . 2.700 2.266 2.138 2.732 0.032 2 0 "[ . 1 . 2]" 1
193 1 73 GLU H 1 74 PRO HD3 3.200 3.200 8.200 3.527 3.183 3.844 0.017 16 0 "[ . 1 . 2]" 1
194 1 73 GLU H 1 74 PRO HD2 3.200 3.200 8.200 4.245 3.589 4.641 . 0 0 "[ . 1 . 2]" 1
195 1 74 PRO HD3 1 75 LEU H 3.200 3.200 8.200 4.724 4.085 5.719 . 0 0 "[ . 1 . 2]" 1
196 1 74 PRO HD2 1 75 LEU H 3.200 3.200 8.200 4.145 3.134 5.701 0.066 9 0 "[ . 1 . 2]" 1
197 1 11 ASP H 1 14 THR HB 3.200 3.200 8.200 3.195 3.188 3.236 0.012 18 0 "[ . 1 . 2]" 1
198 1 12 TYR HA 1 15 PHE QB 0.000 . 3.500 2.675 2.621 2.744 . 0 0 "[ . 1 . 2]" 1
199 1 13 SER HA 1 16 LEU HB2 0.000 . 4.000 3.264 3.218 3.319 . 0 0 "[ . 1 . 2]" 1
200 1 13 SER H 1 16 LEU MD1 0.000 . 5.300 4.415 4.382 4.424 . 0 0 "[ . 1 . 2]" 1
201 1 14 THR HA 1 17 GLN QB 0.000 . 4.800 2.998 2.903 3.058 . 0 0 "[ . 1 . 2]" 1
202 1 10 VAL MG1 1 14 THR HB 0.000 . 4.000 1.966 1.951 1.983 . 0 0 "[ . 1 . 2]" 1
203 1 10 VAL MG1 1 14 THR H 0.000 . 4.800 3.663 3.636 3.689 . 0 0 "[ . 1 . 2]" 1
204 1 11 ASP QB 1 14 THR H 0.000 . 4.000 2.691 2.623 2.735 . 0 0 "[ . 1 . 2]" 1
205 1 14 THR H 1 16 LEU H 0.000 . 4.500 4.224 4.201 4.250 . 0 0 "[ . 1 . 2]" 1
206 1 15 PHE HA 1 18 GLU QB 0.000 . 4.800 2.845 2.789 2.895 . 0 0 "[ . 1 . 2]" 1
207 1 16 LEU HA 1 19 VAL HB 0.000 . 3.200 2.898 2.828 2.998 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU HA 1 19 VAL MG2 0.000 . 4.800 2.749 2.687 2.846 . 0 0 "[ . 1 . 2]" 1
209 1 12 TYR HE1 1 16 LEU MD1 0.000 . 4.000 3.363 3.355 3.371 . 0 0 "[ . 1 . 2]" 1
210 1 13 SER HA 1 16 LEU H 0.000 . 4.000 3.630 3.607 3.652 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU HA 1 19 VAL H 0.000 . 3.500 3.516 3.502 3.531 0.031 19 0 "[ . 1 . 2]" 1
212 1 16 LEU HB3 1 20 ASN HD21 0.000 . 4.000 4.017 4.015 4.020 0.020 2 0 "[ . 1 . 2]" 1
213 1 16 LEU HA 1 20 ASN H 0.000 . 4.500 4.303 4.275 4.333 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLN HA 1 20 ASN H 0.000 . 3.500 3.516 3.501 3.524 0.024 16 0 "[ . 1 . 2]" 1
215 1 17 GLN QG 1 21 ASN H 0.000 . 4.800 4.279 4.219 4.294 . 0 0 "[ . 1 . 2]" 1
216 1 18 GLU HA 1 21 ASN H 0.000 . 3.500 3.265 3.150 3.311 . 0 0 "[ . 1 . 2]" 1
217 1 19 VAL HA 1 21 ASN H 0.000 . 4.500 4.142 4.076 4.178 . 0 0 "[ . 1 . 2]" 1
218 1 19 VAL MG1 1 21 ASN H 0.000 . 5.800 4.844 4.815 4.860 . 0 0 "[ . 1 . 2]" 1
219 1 19 VAL H 1 21 ASN H 0.000 . 4.500 4.027 3.915 4.065 . 0 0 "[ . 1 . 2]" 1
220 1 19 VAL HA 1 22 ASP H 0.000 . 5.000 3.652 3.550 3.707 . 0 0 "[ . 1 . 2]" 1
221 1 20 ASN HA 1 22 ASP H 0.000 . 4.000 3.695 3.662 3.747 . 0 0 "[ . 1 . 2]" 1
222 1 21 ASN HB3 1 23 GLN HE21 0.000 . 4.000 3.051 1.938 3.286 . 0 0 "[ . 1 . 2]" 1
223 1 19 VAL HA 1 23 GLN H 0.000 . 4.000 3.895 3.841 4.011 0.011 18 0 "[ . 1 . 2]" 1
224 1 21 ASN HB3 1 23 GLN H 0.000 . 4.000 4.019 4.011 4.039 0.039 18 0 "[ . 1 . 2]" 1
225 1 21 ASN HB2 1 23 GLN H 0.000 . 4.000 3.250 3.197 3.405 . 0 0 "[ . 1 . 2]" 1
226 1 24 VAL MG1 1 26 GLU H 0.000 . 4.000 2.757 2.600 2.884 . 0 0 "[ . 1 . 2]" 1
227 1 30 ASN H 1 33 GLU QB 0.000 . 4.800 4.192 4.049 4.283 . 0 0 "[ . 1 . 2]" 1
228 1 30 ASN H 1 34 ILE HA 0.000 . 3.500 3.111 3.030 3.168 . 0 0 "[ . 1 . 2]" 1
229 1 29 ILE MG 1 31 GLY H 0.000 . 4.800 3.178 2.601 3.375 . 0 0 "[ . 1 . 2]" 1
230 1 30 ASN H 1 33 GLU H 0.000 . 4.000 4.020 4.003 4.035 0.035 7 0 "[ . 1 . 2]" 1
231 1 31 GLY HA3 1 33 GLU H 0.000 . 4.000 3.510 3.451 3.647 . 0 0 "[ . 1 . 2]" 1
232 1 31 GLY HA2 1 33 GLU H 0.000 . 5.000 4.566 4.529 4.640 . 0 0 "[ . 1 . 2]" 1
233 1 38 LYS H 1 42 ASN H 3.200 3.200 5.000 4.100 3.987 4.172 . 0 0 "[ . 1 . 2]" 1
234 1 38 LYS QB 1 41 SER H 0.000 . 4.800 3.622 3.535 3.692 . 0 0 "[ . 1 . 2]" 1
235 1 39 LYS QB 1 41 SER H 0.000 . 5.800 4.596 4.440 4.838 . 0 0 "[ . 1 . 2]" 1
236 1 38 LYS QB 1 42 ASN H 0.000 . 3.500 2.959 2.866 3.030 . 0 0 "[ . 1 . 2]" 1
237 1 38 LYS QD 1 42 ASN H 0.000 . 4.800 4.262 4.127 4.289 . 0 0 "[ . 1 . 2]" 1
238 1 44 TYR HE1 1 46 THR HB 0.000 . 3.200 2.426 2.325 2.616 . 0 0 "[ . 1 . 2]" 1
239 1 44 TYR HD1 1 46 THR H 0.000 . 4.000 3.905 3.782 3.999 . 0 0 "[ . 1 . 2]" 1
240 1 48 ILE HA 1 50 VAL H 4.000 4.000 9.000 4.027 3.963 4.136 0.037 5 0 "[ . 1 . 2]" 1
241 1 48 ILE MG 1 50 VAL H 2.700 2.700 4.000 2.297 2.240 2.448 0.460 10 0 "[ . 1 . 2]" 1
242 1 48 ILE MG 1 51 GLN HA 0.000 . 4.800 2.544 2.242 2.893 . 0 0 "[ . 1 . 2]" 1
243 1 52 ASP HA 1 54 LYS H 0.000 . 5.000 3.464 3.346 3.523 . 0 0 "[ . 1 . 2]" 1
244 1 55 LEU HA 1 58 ASN HB3 0.000 . 3.200 3.094 2.988 3.206 0.006 14 0 "[ . 1 . 2]" 1
245 1 55 LEU HA 1 58 ASN HB2 0.000 . 3.200 3.214 3.204 3.227 0.027 14 0 "[ . 1 . 2]" 1
246 1 59 LEU HA 1 62 LYS QB 0.000 . 3.500 2.856 2.747 3.038 . 0 0 "[ . 1 . 2]" 1
247 1 57 ASP HA 1 60 LEU H 0.000 . 3.500 3.534 3.525 3.544 0.044 13 0 "[ . 1 . 2]" 1
248 1 58 ASN HA 1 60 LEU H 3.200 3.200 8.200 4.299 4.286 4.315 . 0 0 "[ . 1 . 2]" 1
249 1 59 LEU HA 1 61 THR H 3.200 3.200 8.200 4.583 4.515 4.632 . 0 0 "[ . 1 . 2]" 1
250 1 59 LEU HA 1 62 LYS H 0.000 . 3.500 3.498 3.450 3.530 0.030 14 0 "[ . 1 . 2]" 1
251 1 62 LYS H 1 64 VAL MG2 0.000 . 4.800 3.869 3.773 3.935 . 0 0 "[ . 1 . 2]" 1
252 1 60 LEU HA 1 63 ASN H 0.000 . 3.500 3.498 3.451 3.515 0.015 9 0 "[ . 1 . 2]" 1
253 1 60 LEU HA 1 64 VAL H 0.000 . 3.500 3.547 3.529 3.556 0.056 16 0 "[ . 1 . 2]" 1
254 1 62 LYS HB2 1 64 VAL H 0.000 . 3.500 3.316 3.203 3.501 0.001 14 0 "[ . 1 . 2]" 1
255 1 10 VAL MG2 1 44 TYR HB2 0.000 . 4.800 2.041 2.032 2.056 . 0 0 "[ . 1 . 2]" 1
256 1 10 VAL MG2 1 44 TYR HD1 0.000 . 4.800 2.309 2.232 2.363 . 0 0 "[ . 1 . 2]" 1
257 1 10 VAL H 1 44 TYR HD1 0.000 . 4.500 3.955 3.854 4.070 . 0 0 "[ . 1 . 2]" 1
258 1 10 VAL H 1 45 THR HB 0.000 . 5.000 4.603 4.528 4.672 . 0 0 "[ . 1 . 2]" 1
259 1 10 VAL H 1 46 THR HA 0.000 . 3.500 2.988 2.869 3.088 . 0 0 "[ . 1 . 2]" 1
260 1 12 TYR H 1 49 PRO HD3 3.200 3.200 8.200 3.571 3.316 3.900 . 0 0 "[ . 1 . 2]" 1
261 1 12 TYR H 1 49 PRO HD2 3.200 3.200 8.200 4.362 4.107 4.778 . 0 0 "[ . 1 . 2]" 1
262 1 10 VAL MG1 1 15 PHE HA 0.000 . 5.800 3.250 3.114 3.352 . 0 0 "[ . 1 . 2]" 1
263 1 15 PHE QB 1 46 THR MG 0.000 . 4.800 2.867 2.694 3.035 . 0 0 "[ . 1 . 2]" 1
264 1 10 VAL MG1 1 15 PHE H 0.000 . 4.000 2.772 2.722 2.838 . 0 0 "[ . 1 . 2]" 1
265 1 19 VAL HA 1 24 VAL HB 0.000 . 4.000 3.268 3.022 3.374 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL HA 1 24 VAL MG2 0.000 . 3.500 2.780 2.586 2.917 . 0 0 "[ . 1 . 2]" 1
267 1 19 VAL MG1 1 24 VAL HB 0.000 . 4.800 3.997 3.894 4.014 . 0 0 "[ . 1 . 2]" 1
268 1 19 VAL MG1 1 59 LEU HA 0.000 . 4.800 3.519 2.987 4.015 . 0 0 "[ . 1 . 2]" 1
269 1 19 VAL MG2 1 24 VAL HB 0.000 . 4.800 3.332 3.051 3.439 . 0 0 "[ . 1 . 2]" 1
270 1 19 VAL H 1 24 VAL MG2 0.000 . 4.000 3.314 3.156 3.362 . 0 0 "[ . 1 . 2]" 1
271 1 22 ASP H 1 62 LYS QD 0.000 . 5.800 4.174 3.343 5.171 . 0 0 "[ . 1 . 2]" 1
272 1 19 VAL HA 1 24 VAL H 0.000 . 4.000 3.448 3.415 3.533 . 0 0 "[ . 1 . 2]" 1
273 1 19 VAL MG2 1 24 VAL H 0.000 . 5.800 4.557 4.366 4.647 . 0 0 "[ . 1 . 2]" 1
274 1 25 ARG H 1 38 LYS HA 0.000 . 3.500 2.685 2.612 2.855 . 0 0 "[ . 1 . 2]" 1
275 1 25 ARG H 1 38 LYS QG 0.000 . 4.800 4.287 4.206 4.318 . 0 0 "[ . 1 . 2]" 1
276 1 26 GLU HA 1 64 VAL MG1 0.000 . 4.800 2.802 2.566 2.971 . 0 0 "[ . 1 . 2]" 1
277 1 26 GLU HA 1 65 LYS H 0.000 . 3.500 3.164 3.041 3.306 . 0 0 "[ . 1 . 2]" 1
278 1 26 GLU H 1 36 VAL MG1 0.000 . 4.800 3.653 3.448 3.819 . 0 0 "[ . 1 . 2]" 1
279 1 26 GLU H 1 37 THR HB 0.000 . 4.000 3.332 3.242 3.496 . 0 0 "[ . 1 . 2]" 1
280 1 27 ALA H 1 64 VAL MG1 0.000 . 4.000 3.224 3.025 3.339 . 0 0 "[ . 1 . 2]" 1
281 1 27 ALA H 1 66 VAL MG2 0.000 . 4.800 3.990 3.910 4.010 . 0 0 "[ . 1 . 2]" 1
282 1 28 ARG HA 1 67 VAL MG2 0.000 . 4.000 3.359 3.354 3.365 . 0 0 "[ . 1 . 2]" 1
283 1 28 ARG H 1 35 ASN HB2 0.000 . 4.000 3.765 3.572 3.938 . 0 0 "[ . 1 . 2]" 1
284 1 28 ARG H 1 35 ASN H 0.000 . 3.500 3.409 3.335 3.460 . 0 0 "[ . 1 . 2]" 1
285 1 29 ILE HA 1 34 ILE HA 0.000 . 2.700 2.727 2.703 2.760 0.060 15 0 "[ . 1 . 2]" 1
286 1 29 ILE H 1 68 GLY HA2 0.000 . 3.500 3.331 3.110 3.510 0.010 9 0 "[ . 1 . 2]" 1
287 1 15 PHE HZ 1 34 ILE MG 0.000 . 4.800 3.654 3.506 3.772 . 0 0 "[ . 1 . 2]" 1
288 1 34 ILE H 1 46 THR H 0.000 . 3.500 3.494 3.428 3.521 0.021 3 0 "[ . 1 . 2]" 1
289 1 34 ILE H 1 47 TYR HA 0.000 . 3.500 3.498 3.436 3.534 0.034 18 0 "[ . 1 . 2]" 1
290 1 35 ASN HA 1 45 THR HA 0.000 . 2.700 2.650 2.557 2.702 0.002 20 0 "[ . 1 . 2]" 1
291 1 35 ASN HD22 1 45 THR MG 0.000 . 4.000 2.664 2.360 3.341 . 0 0 "[ . 1 . 2]" 1
292 1 28 ARG HB3 1 35 ASN H 0.000 . 4.000 4.054 4.044 4.065 0.065 16 0 "[ . 1 . 2]" 1
293 1 29 ILE HA 1 35 ASN H 0.000 . 4.000 3.943 3.854 3.971 . 0 0 "[ . 1 . 2]" 1
294 1 27 ALA HA 1 36 VAL HA 0.000 . 27.000 2.573 2.483 2.639 . 0 0 "[ . 1 . 2]" 1
295 1 36 VAL MG2 1 44 TYR HD1 0.000 . 4.800 4.002 3.965 4.014 . 0 0 "[ . 1 . 2]" 1
296 1 36 VAL MG2 1 45 THR HA 0.000 . 5.800 3.814 3.685 3.895 . 0 0 "[ . 1 . 2]" 1
297 1 36 VAL H 1 45 THR HA 0.000 . 3.500 3.185 3.057 3.281 . 0 0 "[ . 1 . 2]" 1
298 1 26 GLU HB3 1 37 THR HB 0.000 . 2.700 2.365 2.286 2.475 . 0 0 "[ . 1 . 2]" 1
299 1 25 ARG QD 1 37 THR MG 0.000 . 4.800 3.569 3.534 3.587 . 0 0 "[ . 1 . 2]" 1
300 1 26 GLU HB3 1 37 THR H 0.000 . 3.200 3.215 3.201 3.228 0.028 17 0 "[ . 1 . 2]" 1
301 1 26 GLU QG 1 37 THR H 0.000 . 4.800 4.303 4.293 4.317 . 0 0 "[ . 1 . 2]" 1
302 1 26 GLU H 1 37 THR H 0.000 . 3.500 3.264 3.140 3.382 . 0 0 "[ . 1 . 2]" 1
303 1 38 LYS H 1 43 ARG HA 0.000 . 4.000 3.460 3.327 3.585 . 0 0 "[ . 1 . 2]" 1
304 1 25 ARG QB 1 39 LYS HA 0.000 . 4.000 2.674 2.320 3.566 . 0 0 "[ . 1 . 2]" 1
305 1 24 VAL HA 1 39 LYS H 0.000 . 3.500 3.520 3.502 3.543 0.043 10 0 "[ . 1 . 2]" 1
306 1 25 ARG QB 1 39 LYS H 0.000 . 4.800 3.177 2.995 3.774 . 0 0 "[ . 1 . 2]" 1
307 1 37 THR HA 1 43 ARG HA 0.000 . 2.700 2.719 2.676 2.733 0.033 13 0 "[ . 1 . 2]" 1
308 1 8 ARG QB 1 44 TYR HA 0.000 . 4.800 3.461 3.347 3.523 . 0 0 "[ . 1 . 2]" 1
309 1 8 ARG QG 1 44 TYR HA 0.000 . 4.800 4.236 4.065 4.282 . 0 0 "[ . 1 . 2]" 1
310 1 36 VAL HB 1 44 TYR H 0.000 . 4.000 3.759 3.670 3.872 . 0 0 "[ . 1 . 2]" 1
311 1 36 VAL H 1 44 TYR H 0.000 . 3.500 3.480 3.405 3.506 0.006 15 0 "[ . 1 . 2]" 1
312 1 37 THR HA 1 44 TYR H 0.000 . 4.000 3.747 3.696 3.798 . 0 0 "[ . 1 . 2]" 1
313 1 10 VAL MG2 1 45 THR H 0.000 . 4.000 3.330 3.243 3.345 . 0 0 "[ . 1 . 2]" 1
314 1 8 ARG QB 1 45 THR H 0.000 . 4.800 4.276 4.227 4.291 . 0 0 "[ . 1 . 2]" 1
315 1 9 LYS HA 1 45 THR H 0.000 . 3.500 3.441 3.278 3.500 0.000 11 0 "[ . 1 . 2]" 1
316 1 10 VAL HB 1 46 THR HB 0.000 . 4.000 2.322 2.179 2.492 . 0 0 "[ . 1 . 2]" 1
317 1 34 ILE HB 1 46 THR MG 0.000 . 4.000 2.039 1.965 2.221 . 0 0 "[ . 1 . 2]" 1
318 1 34 ILE HB 1 46 THR H 0.000 . 4.000 3.760 3.666 3.834 . 0 0 "[ . 1 . 2]" 1
319 1 35 ASN HA 1 46 THR H 0.000 . 3.500 3.568 3.546 3.587 0.087 17 0 "[ . 1 . 2]" 1
320 1 36 VAL MG2 1 46 THR H 0.000 . 4.800 3.596 3.455 3.690 . 0 0 "[ . 1 . 2]" 1
321 1 36 VAL H 1 46 THR H 0.000 . 4.500 4.481 4.411 4.506 0.006 4 0 "[ . 1 . 2]" 1
322 1 10 VAL HB 1 47 TYR H 0.000 . 5.000 5.018 5.008 5.030 0.030 19 0 "[ . 1 . 2]" 1
323 1 11 ASP HA 1 47 TYR H 0.000 . 4.000 4.014 4.007 4.023 0.023 9 0 "[ . 1 . 2]" 1
324 1 12 TYR HB2 1 47 TYR H 0.000 . 5.000 4.690 4.555 5.003 0.003 16 0 "[ . 1 . 2]" 1
325 1 32 ARG HA 1 48 ILE HB 0.000 . 4.000 3.396 3.023 3.651 . 0 0 "[ . 1 . 2]" 1
326 1 32 ARG QG 1 48 ILE HB 0.000 . 3.500 2.667 2.440 3.008 . 0 0 "[ . 1 . 2]" 1
327 1 34 ILE MD 1 48 ILE MD 0.000 . 4.300 1.930 1.899 2.028 . 0 0 "[ . 1 . 2]" 1
328 1 12 TYR HB2 1 48 ILE MG 0.000 . 4.800 3.916 3.811 4.003 . 0 0 "[ . 1 . 2]" 1
329 1 12 TYR HD1 1 48 ILE MG 0.000 . 4.800 4.017 4.010 4.027 . 0 0 "[ . 1 . 2]" 1
330 1 32 ARG QB 1 48 ILE H 0.000 . 4.800 4.312 4.282 4.356 . 0 0 "[ . 1 . 2]" 1
331 1 32 ARG HE 1 48 ILE H 0.000 . 4.000 3.905 3.504 4.040 0.040 19 0 "[ . 1 . 2]" 1
332 1 32 ARG QG 1 48 ILE H 0.000 . 4.800 2.451 2.341 2.684 . 0 0 "[ . 1 . 2]" 1
333 1 33 GLU HA 1 48 ILE H 0.000 . 3.500 3.432 3.316 3.516 0.016 14 0 "[ . 1 . 2]" 1
334 1 12 TYR HD2 1 49 PRO HD2 0.000 . 4.000 2.625 2.364 3.348 . 0 0 "[ . 1 . 2]" 1
335 1 12 TYR HD2 1 49 PRO QG 0.000 . 4.800 2.484 2.143 3.102 . 0 0 "[ . 1 . 2]" 1
336 1 15 PHE HE2 1 55 LEU MD1 0.000 . 4.000 2.236 1.935 2.551 . 0 0 "[ . 1 . 2]" 1
337 1 34 ILE MD 1 55 LEU MD2 0.000 . 4.200 2.453 1.955 2.878 . 0 0 "[ . 1 . 2]" 1
338 1 15 PHE HE2 1 59 LEU MD2 0.000 . 4.000 2.975 2.562 3.335 . 0 0 "[ . 1 . 2]" 1
339 1 59 LEU HA 1 64 VAL H 0.000 . 4.000 4.043 4.026 4.055 0.055 8 0 "[ . 1 . 2]" 1
340 1 27 ALA H 1 65 LYS H 0.000 . 4.500 4.496 4.428 4.515 0.015 13 0 "[ . 1 . 2]" 1
341 1 28 ARG HA 1 67 VAL H 0.000 . 3.500 2.792 2.666 2.846 . 0 0 "[ . 1 . 2]" 1
342 1 29 ILE H 1 67 VAL H 0.000 . 4.000 3.677 3.588 3.743 . 0 0 "[ . 1 . 2]" 1
343 1 29 ILE HB 1 69 GLU H 0.000 . 4.000 3.560 3.442 3.637 . 0 0 "[ . 1 . 2]" 1
344 1 29 ILE MG 1 69 GLU H 0.000 . 4.800 4.022 4.014 4.042 . 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 42
_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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 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 21 ASN O 1 23 GLN HE21 2.200 . 2.600 2.195 2.120 2.565 . 0 0 "[ . 1 . 2]" 2
2 1 23 GLN O 1 39 LYS H 2.200 . 2.600 2.278 2.170 2.373 . 0 0 "[ . 1 . 2]" 2
3 1 25 ARG H 1 37 THR O 2.200 . 2.600 2.251 2.146 2.331 . 0 0 "[ . 1 . 2]" 2
4 1 26 GLU H 1 37 THR O 2.200 . 2.600 2.299 2.250 2.435 . 0 0 "[ . 1 . 2]" 2
5 1 26 GLU O 1 37 THR H 2.200 . 2.600 2.117 2.088 2.168 . 0 0 "[ . 1 . 2]" 2
6 1 28 ARG H 1 35 ASN O 2.200 . 2.600 1.950 1.909 1.980 . 0 0 "[ . 1 . 2]" 2
7 1 28 ARG O 1 35 ASN H 2.200 . 2.600 2.126 2.100 2.145 . 0 0 "[ . 1 . 2]" 2
8 1 30 ASN H 1 33 GLU O 2.200 . 2.600 2.068 2.013 2.105 . 0 0 "[ . 1 . 2]" 2
9 1 30 ASN O 1 33 GLU H 2.200 . 2.600 2.212 2.173 2.239 . 0 0 "[ . 1 . 2]" 2
10 1 32 ARG O 1 48 ILE H 2.200 . 2.600 2.208 2.124 2.275 . 0 0 "[ . 1 . 2]" 2
11 1 34 ILE H 1 46 THR O 2.200 . 2.600 2.113 2.043 2.158 . 0 0 "[ . 1 . 2]" 2
12 1 34 ILE O 1 46 THR H 2.200 . 2.600 2.126 2.101 2.151 . 0 0 "[ . 1 . 2]" 2
13 1 36 VAL H 1 44 TYR O 2.200 . 2.600 2.116 2.067 2.154 . 0 0 "[ . 1 . 2]" 2
14 1 36 VAL O 1 44 TYR H 2.200 . 2.600 2.233 2.222 2.247 . 0 0 "[ . 1 . 2]" 2
15 1 38 LYS H 1 42 ASN O 2.200 . 2.600 2.149 2.103 2.216 . 0 0 "[ . 1 . 2]" 2
16 1 38 LYS O 1 41 SER H 2.200 . 2.600 2.085 2.061 2.118 . 0 0 "[ . 1 . 2]" 2
17 1 29 ILE O 1 69 GLU H 2.200 . 2.600 2.279 2.217 2.328 . 0 0 "[ . 1 . 2]" 2
18 1 29 ILE H 1 67 VAL O 2.200 . 2.600 1.982 1.934 2.024 . 0 0 "[ . 1 . 2]" 2
19 1 27 ALA O 1 67 VAL H 2.200 . 2.600 2.289 2.226 2.328 . 0 0 "[ . 1 . 2]" 2
20 1 27 ALA H 1 65 LYS O 2.200 . 2.600 2.135 2.096 2.155 . 0 0 "[ . 1 . 2]" 2
21 1 25 ARG O 1 65 LYS H 2.200 . 2.600 2.317 2.279 2.359 . 0 0 "[ . 1 . 2]" 2
22 1 8 ARG H 1 43 ARG O 2.200 . 2.600 2.412 2.372 2.501 . 0 0 "[ . 1 . 2]" 2
23 1 8 ARG O 1 45 THR H 2.200 . 2.600 2.045 2.004 2.088 . 0 0 "[ . 1 . 2]" 2
24 1 10 VAL H 1 45 THR O 2.200 . 2.600 2.230 2.196 2.268 . 0 0 "[ . 1 . 2]" 2
25 1 12 TYR HH 1 52 ASP OD2 2.200 . 2.600 2.207 2.174 2.258 . 0 0 "[ . 1 . 2]" 2
26 1 18 GLU OE1 1 44 TYR HH 2.200 . 2.600 2.092 2.053 2.113 . 0 0 "[ . 1 . 2]" 2
27 1 11 ASP O 1 15 PHE H 2.200 . 2.600 2.203 2.166 2.235 . 0 0 "[ . 1 . 2]" 2
28 1 12 TYR O 1 16 LEU H 2.200 . 2.600 2.214 2.182 2.250 . 0 0 "[ . 1 . 2]" 2
29 1 13 SER O 1 17 GLN H 2.200 . 2.600 2.380 2.330 2.422 . 0 0 "[ . 1 . 2]" 2
30 1 14 THR O 1 18 GLU H 2.200 . 2.600 2.192 2.155 2.226 . 0 0 "[ . 1 . 2]" 2
31 1 15 PHE O 1 19 VAL H 2.200 . 2.600 2.064 2.023 2.105 . 0 0 "[ . 1 . 2]" 2
32 1 16 LEU O 1 20 ASN H 2.200 . 2.600 2.160 2.138 2.182 . 0 0 "[ . 1 . 2]" 2
33 1 17 GLN O 1 21 ASN H 2.200 . 2.600 2.217 2.122 2.241 . 0 0 "[ . 1 . 2]" 2
34 1 19 VAL O 1 22 ASP H 2.200 . 2.600 1.964 1.888 2.021 . 0 0 "[ . 1 . 2]" 2
35 1 18 GLU O 1 23 GLN H 2.200 . 2.600 2.296 2.218 2.466 . 0 0 "[ . 1 . 2]" 2
36 1 54 LYS O 1 58 ASN H 2.200 . 2.600 2.272 2.228 2.304 . 0 0 "[ . 1 . 2]" 2
37 1 55 LEU O 1 59 LEU H 2.200 . 2.600 2.139 2.109 2.205 . 0 0 "[ . 1 . 2]" 2
38 1 56 LEU O 1 60 LEU H 2.200 . 2.600 2.278 2.231 2.316 . 0 0 "[ . 1 . 2]" 2
39 1 57 ASP O 1 61 THR H 2.200 . 2.600 2.151 2.123 2.168 . 0 0 "[ . 1 . 2]" 2
40 1 58 ASN O 1 62 LYS H 2.200 . 2.600 2.241 2.190 2.336 . 0 0 "[ . 1 . 2]" 2
41 1 60 LEU O 1 63 ASN H 2.200 . 2.600 1.996 1.981 2.011 . 0 0 "[ . 1 . 2]" 2
42 1 59 LEU O 1 64 VAL H 2.200 . 2.600 2.070 2.049 2.080 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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