NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384228 |
1kbm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kbm
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 210
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 39.663
_Distance_constraint_stats_list.Viol_max 2.546
_Distance_constraint_stats_list.Viol_rms 0.4058
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1889
_Distance_constraint_stats_list.Viol_average_violations_only 0.4958
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 1.791 1.233 1 1 [+]
1 2 DG 4.156 1.603 1 1 [+]
1 3 DT 0.930 0.764 1 1 [+]
1 4 DA 3.064 1.064 1 1 [+]
1 5 DC 0.596 0.362 1 0 "[ ]"
1 6 S6G 1.306 0.746 1 1 [+]
1 7 DC 2.126 0.746 1 1 [+]
1 8 DA 2.137 1.045 1 1 [+]
1 9 DT 3.083 1.252 1 1 [+]
1 10 DG 3.579 1.218 1 1 [+]
1 11 DC 3.405 1.218 1 1 [+]
2 1 DG 5.877 2.531 1 1 [+]
2 2 DC 3.950 2.531 1 1 [+]
2 3 DA 0.907 0.492 1 0 "[ ]"
2 4 DT 1.604 1.113 1 1 [+]
2 5 DG 1.272 0.593 1 1 [+]
2 6 DT 3.403 0.905 1 1 [+]
2 7 DG 1.924 0.867 1 1 [+]
2 8 DT 6.235 2.546 1 1 [+]
2 9 DA 7.771 2.546 1 1 [+]
2 10 DC 2.653 1.443 1 1 [+]
2 11 DG 1.046 0.337 1 0 "[ ]"
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 DC H6 1 8 DA H8 5.741 5.141 6.341 4.950 4.950 4.950 0.191 1 0 "[ ]" 1
2 2 9 DA H1' 2 10 DC H1' 5.529 4.929 6.129 5.221 5.221 5.221 . 0 0 "[ ]" 1
3 1 4 DA H1' 1 5 DC H1' 5.760 5.160 6.360 5.127 5.127 5.127 0.033 1 0 "[ ]" 1
4 1 6 S6G H1' 1 7 DC H1' 5.719 5.119 6.319 5.234 5.234 5.234 . 0 0 "[ ]" 1
5 1 10 DG H1' 1 11 DC H5 4.730 4.130 5.330 3.570 3.570 3.570 0.560 1 1 [+] 1
6 1 6 S6G H1' 1 7 DC H5 5.290 4.690 5.890 3.944 3.944 3.944 0.746 1 1 [+] 1
7 2 1 DG H1' 2 2 DC H5 3.844 3.244 4.444 3.899 3.899 3.899 . 0 0 "[ ]" 1
8 1 4 DA H1' 1 5 DC H5 4.966 4.366 5.566 4.580 4.580 4.580 . 0 0 "[ ]" 1
9 2 9 DA H1' 2 10 DC H5 4.306 3.706 4.906 3.818 3.818 3.818 . 0 0 "[ ]" 1
10 2 10 DC H2' 2 10 DC H2'' 1.788 . 2.388 1.801 1.801 1.801 . 0 0 "[ ]" 1
11 2 6 DT H2' 2 6 DT H2'' 1.932 . 2.532 1.806 1.806 1.806 . 0 0 "[ ]" 1
12 1 7 DC H2' 1 7 DC H2'' 1.790 . 2.390 1.800 1.800 1.800 . 0 0 "[ ]" 1
13 1 1 DC H2' 1 1 DC H2'' 1.935 . 2.535 1.802 1.802 1.802 . 0 0 "[ ]" 1
14 2 2 DC H2' 2 2 DC H2'' 1.852 . 2.452 1.800 1.800 1.800 . 0 0 "[ ]" 1
15 1 6 S6G H2' 1 6 S6G H2'' 1.793 . 2.393 1.797 1.797 1.797 . 0 0 "[ ]" 1
16 2 11 DG H2' 2 11 DG H2'' 1.943 . 2.543 1.801 1.801 1.801 . 0 0 "[ ]" 1
17 2 5 DG H1' 2 6 DT H4' 5.508 4.908 6.108 4.315 4.315 4.315 0.593 1 1 [+] 1
18 2 5 DG H1' 2 5 DG H4' 3.084 2.484 3.684 3.369 3.369 3.369 . 0 0 "[ ]" 1
19 2 6 DT H1' 2 6 DT H4' 4.069 3.469 4.669 3.306 3.306 3.306 0.163 1 0 "[ ]" 1
20 1 11 DC H1' 1 11 DC H4' 2.768 2.168 3.368 3.469 3.469 3.469 0.101 1 0 "[ ]" 1
21 2 11 DG H1' 2 11 DG H4' 3.189 2.589 3.789 3.386 3.386 3.386 . 0 0 "[ ]" 1
22 1 6 S6G H1' 1 6 S6G H4' 3.080 2.480 3.680 3.458 3.458 3.458 . 0 0 "[ ]" 1
23 2 5 DG H3' 2 5 DG H4' 2.188 . 2.788 2.684 2.684 2.684 . 0 0 "[ ]" 1
24 1 6 S6G H3' 1 6 S6G H4' 2.570 . 3.170 2.677 2.677 2.677 . 0 0 "[ ]" 1
25 2 1 DG H3' 2 1 DG H4' 2.299 . 2.899 2.698 2.698 2.698 . 0 0 "[ ]" 1
26 1 9 DT H3' 1 9 DT H4' 2.028 . 2.628 2.740 2.740 2.740 0.112 1 0 "[ ]" 1
27 2 6 DT H3' 2 6 DT H4' 2.371 . 2.971 2.690 2.690 2.690 . 0 0 "[ ]" 1
28 1 5 DC H3' 1 5 DC H4' 2.576 . 3.176 2.701 2.701 2.701 . 0 0 "[ ]" 1
29 2 10 DC H3' 2 10 DC H4' 2.265 . 2.865 2.712 2.712 2.712 . 0 0 "[ ]" 1
30 1 1 DC H3' 1 1 DC H4' 2.821 2.221 3.421 2.710 2.710 2.710 . 0 0 "[ ]" 1
31 1 11 DC H3' 1 11 DC H4' 2.539 . 3.139 2.673 2.673 2.673 . 0 0 "[ ]" 1
32 2 11 DG H3' 2 11 DG H4' 2.934 2.334 3.534 2.686 2.686 2.686 . 0 0 "[ ]" 1
33 1 1 DC H2' 1 1 DC H4' 4.378 3.778 4.978 3.670 3.670 3.670 0.108 1 0 "[ ]" 1
34 1 1 DC H2'' 1 1 DC H4' 4.622 4.022 5.222 4.130 4.130 4.130 . 0 0 "[ ]" 1
35 2 11 DG H2'' 2 11 DG H4' 4.157 3.557 4.757 4.171 4.171 4.171 . 0 0 "[ ]" 1
36 2 10 DC H2' 2 10 DC H4' 4.376 3.776 4.976 3.658 3.658 3.658 0.118 1 0 "[ ]" 1
37 2 10 DC H2'' 2 10 DC H4' 4.636 4.036 5.236 4.123 4.123 4.123 . 0 0 "[ ]" 1
38 2 1 DG Q2' 2 1 DG H4' . 4.649 4.966 3.430 3.430 3.430 1.219 1 1 [+] 1
39 1 5 DC Q2' 1 5 DC H4' . 2.821 3.361 3.424 3.424 3.424 0.063 1 0 "[ ]" 1
40 2 2 DC Q2' 2 2 DC H4' . 3.321 3.832 3.424 3.424 3.424 . 0 0 "[ ]" 1
41 1 6 S6G H2'' 1 6 S6G H4' 3.719 3.119 4.319 4.173 4.173 4.173 . 0 0 "[ ]" 1
42 2 5 DG Q2' 2 5 DG H4' 3.294 2.694 3.894 3.427 3.427 3.427 . 0 0 "[ ]" 1
43 1 6 S6G H2' 1 6 S6G H4' 3.697 3.097 4.297 3.631 3.631 3.631 . 0 0 "[ ]" 1
44 1 7 DC Q2' 1 7 DC H3' 2.340 . 2.940 2.257 2.257 2.257 . 0 0 "[ ]" 1
45 2 2 DC Q2' 2 2 DC H3' 2.346 . 2.946 2.235 2.235 2.235 . 0 0 "[ ]" 1
46 2 6 DT Q2' 2 6 DT H3' 2.636 2.036 3.236 2.260 2.260 2.260 . 0 0 "[ ]" 1
47 1 6 S6G H2' 1 6 S6G H3' 2.294 . 2.894 2.430 2.430 2.430 . 0 0 "[ ]" 1
48 2 5 DG Q2' 2 5 DG H3' 2.132 . 2.732 2.275 2.275 2.275 . 0 0 "[ ]" 1
49 1 2 DG Q2' 1 2 DG H3' . 2.004 2.563 2.271 2.271 2.271 . 0 0 "[ ]" 1
50 2 1 DG Q2' 2 1 DG H3' . 2.374 2.874 2.278 2.278 2.278 0.096 1 0 "[ ]" 1
51 1 5 DC Q2' 1 5 DC H3' 2.717 2.117 3.074 2.284 2.284 2.284 . 0 0 "[ ]" 1
52 2 10 DC H2'' 2 10 DC H3' 2.888 2.288 3.488 2.707 2.707 2.707 . 0 0 "[ ]" 1
53 2 10 DC H2' 2 10 DC H3' 2.270 . 2.870 2.370 2.370 2.370 . 0 0 "[ ]" 1
54 2 11 DG H2' 2 11 DG H3' 2.511 . 3.111 2.459 2.459 2.459 . 0 0 "[ ]" 1
55 1 1 DC H2'' 1 1 DC H3' 3.087 2.487 3.687 2.709 2.709 2.709 . 0 0 "[ ]" 1
56 2 11 DG H2'' 2 11 DG H3' 2.829 2.229 3.429 2.705 2.705 2.705 . 0 0 "[ ]" 1
57 1 1 DC H2' 1 1 DC H3' 2.444 . 3.044 2.421 2.421 2.421 . 0 0 "[ ]" 1
58 2 4 DT H1' 2 4 DT H3' 5.354 4.754 5.954 3.641 3.641 3.641 1.113 1 1 [+] 1
59 1 6 S6G H1' 1 6 S6G H3' 3.868 3.268 4.468 3.763 3.763 3.763 . 0 0 "[ ]" 1
60 1 10 DG H1' 1 10 DG H3' 4.326 3.726 4.926 3.676 3.676 3.676 0.050 1 0 "[ ]" 1
61 2 7 DG H1' 2 7 DG H3' 4.143 3.543 4.743 3.798 3.798 3.798 . 0 0 "[ ]" 1
62 1 2 DG H1' 1 2 DG H3' 5.855 5.255 6.455 3.652 3.652 3.652 1.603 1 1 [+] 1
63 2 5 DG H1' 2 5 DG H3' 3.882 3.282 4.482 3.712 3.712 3.712 . 0 0 "[ ]" 1
64 2 1 DG H1' 2 1 DG H3' 4.997 4.397 5.597 3.687 3.687 3.687 0.710 1 1 [+] 1
65 1 11 DC H1' 1 11 DC H3' 3.633 3.033 4.233 3.749 3.749 3.749 . 0 0 "[ ]" 1
66 2 11 DG H1' 2 11 DG H3' 3.698 3.098 4.298 3.720 3.720 3.720 . 0 0 "[ ]" 1
67 1 4 DA Q2' 1 5 DC H5 4.112 3.512 4.393 3.150 3.150 3.150 0.362 1 0 "[ ]" 1
68 1 6 S6G H2'' 1 7 DC H5 3.443 2.843 4.043 2.469 2.469 2.469 0.374 1 0 "[ ]" 1
69 1 6 S6G H2' 1 7 DC H5 3.284 2.684 3.884 3.038 3.038 3.038 . 0 0 "[ ]" 1
70 1 5 DC Q2' 1 5 DC H5 3.827 3.470 4.427 4.240 4.240 4.240 . 0 0 "[ ]" 1
71 1 7 DC Q2' 1 7 DC H5 4.087 3.570 4.687 4.181 4.181 4.181 . 0 0 "[ ]" 1
72 2 10 DC H2' 2 10 DC H5 4.214 3.614 4.814 4.315 4.315 4.315 . 0 0 "[ ]" 1
73 2 9 DA Q2' 2 10 DC H5 . 3.933 4.297 2.490 2.490 2.490 1.443 1 1 [+] 1
74 2 1 DG Q2' 2 2 DC H5 3.794 3.308 4.394 2.304 2.304 2.304 1.004 1 1 [+] 1
75 1 10 DG Q2' 1 11 DC H5 3.414 3.391 4.014 2.173 2.173 2.173 1.218 1 1 [+] 1
76 2 8 DT H1' 2 8 DT Q2' . 2.424 2.903 2.362 2.362 2.362 0.062 1 0 "[ ]" 1
77 1 3 DT H1' 1 3 DT H2'' 2.258 . 2.858 2.447 2.447 2.447 . 0 0 "[ ]" 1
78 1 1 DC H1' 1 1 DC H2'' 2.326 . 2.926 2.449 2.449 2.449 . 0 0 "[ ]" 1
79 2 10 DC H1' 2 10 DC H2'' 2.351 . 2.951 2.455 2.455 2.455 . 0 0 "[ ]" 1
80 2 4 DT H1' 2 4 DT H2'' 2.408 . 3.008 2.468 2.468 2.468 . 0 0 "[ ]" 1
81 1 9 DT H1' 1 9 DT Q2' . 2.333 2.656 2.365 2.365 2.365 . 0 0 "[ ]" 1
82 2 6 DT H1' 2 6 DT Q2' . 2.499 2.781 2.352 2.352 2.352 0.147 1 0 "[ ]" 1
83 1 5 DC H1' 1 5 DC Q2' . 2.449 3.003 2.347 2.347 2.347 0.102 1 0 "[ ]" 1
84 1 7 DC H1' 1 7 DC Q2' . 2.777 2.908 2.346 2.346 2.346 0.431 1 0 "[ ]" 1
85 1 3 DT H1' 1 3 DT H2' 2.815 2.215 3.415 3.034 3.034 3.034 . 0 0 "[ ]" 1
86 1 1 DC H1' 1 1 DC H2' 3.190 2.590 3.790 3.034 3.034 3.034 . 0 0 "[ ]" 1
87 2 4 DT H1' 2 4 DT H2' 2.798 2.198 3.398 3.030 3.030 3.030 . 0 0 "[ ]" 1
88 2 10 DC H1' 2 10 DC H2' 3.135 2.535 3.735 3.034 3.034 3.034 . 0 0 "[ ]" 1
89 1 6 S6G H1' 1 6 S6G H2'' 2.224 . 2.824 2.456 2.456 2.456 . 0 0 "[ ]" 1
90 1 10 DG H1' 1 10 DG Q2' 2.186 2.085 2.786 2.366 2.366 2.366 . 0 0 "[ ]" 1
91 1 6 S6G H1' 1 6 S6G H2' 2.822 2.222 3.422 3.037 3.037 3.037 . 0 0 "[ ]" 1
92 1 1 DC H2' 1 1 DC H5 3.591 2.991 4.191 4.355 4.355 4.355 0.164 1 0 "[ ]" 1
93 2 5 DG H1' 2 5 DG Q2' . 2.340 2.693 2.339 2.339 2.339 0.001 1 0 "[ ]" 1
94 2 11 DG H1' 2 11 DG H2' 2.907 2.307 3.507 3.034 3.034 3.034 . 0 0 "[ ]" 1
95 2 11 DG H1' 2 11 DG H2'' 2.194 . 2.794 2.439 2.439 2.439 . 0 0 "[ ]" 1
96 1 6 S6G H2'' 1 7 DC H6 2.163 . 2.763 2.109 2.109 2.109 . 0 0 "[ ]" 1
97 2 7 DG Q2' 2 8 DT H6 2.854 2.254 3.380 2.284 2.284 2.284 . 0 0 "[ ]" 1
98 2 8 DT Q2' 2 8 DT H6 3.645 3.045 4.245 2.006 2.006 2.006 1.039 1 1 [+] 1
99 1 3 DT H2'' 1 3 DT H6 2.627 2.027 3.227 3.367 3.367 3.367 0.140 1 0 "[ ]" 1
100 1 6 S6G H2' 1 7 DC H6 3.187 2.587 3.787 3.776 3.776 3.776 . 0 0 "[ ]" 1
101 2 10 DC H2'' 2 10 DC H6 3.284 2.684 3.884 3.465 3.465 3.465 . 0 0 "[ ]" 1
102 1 7 DC Q2' 1 7 DC H6 . 2.253 2.694 2.001 2.001 2.001 0.252 1 0 "[ ]" 1
103 2 10 DC H2' 2 10 DC H6 2.105 . 2.705 2.047 2.047 2.047 . 0 0 "[ ]" 1
104 1 10 DG Q2' 1 11 DC H6 2.578 . 3.178 2.468 2.468 2.468 . 0 0 "[ ]" 1
105 2 1 DG Q2' 2 2 DC H6 5.400 4.920 6.000 2.389 2.389 2.389 2.531 1 1 [+] 1
106 2 4 DT H2'' 2 5 DG H8 2.735 2.135 3.335 2.465 2.465 2.465 . 0 0 "[ ]" 1
107 2 6 DT Q2' 2 7 DG H8 . 3.084 3.411 3.157 3.157 3.157 . 0 0 "[ ]" 1
108 2 10 DC H2'' 2 11 DG H8 3.119 2.519 3.719 2.235 2.235 2.235 0.284 1 0 "[ ]" 1
109 2 11 DG H2'' 2 11 DG H8 2.933 2.333 3.533 3.675 3.675 3.675 0.142 1 0 "[ ]" 1
110 1 6 S6G H2' 1 6 S6G H8 2.322 . 2.922 2.303 2.303 2.303 . 0 0 "[ ]" 1
111 1 10 DG Q2' 1 10 DG H8 2.128 2.038 2.728 2.374 2.374 2.374 . 0 0 "[ ]" 1
112 1 6 S6G H2'' 1 6 S6G H8 3.920 3.320 4.520 3.701 3.701 3.701 . 0 0 "[ ]" 1
113 2 11 DG H2' 2 11 DG H8 2.319 . 2.919 2.355 2.355 2.355 . 0 0 "[ ]" 1
114 2 7 DG Q2' 2 7 DG H8 . 2.454 2.692 2.344 2.344 2.344 0.110 1 0 "[ ]" 1
115 1 2 DG Q2' 1 2 DG H8 . 2.475 2.754 2.405 2.405 2.405 0.070 1 0 "[ ]" 1
116 1 1 DC H2'' 1 2 DG H8 2.874 2.274 3.474 2.327 2.327 2.327 . 0 0 "[ ]" 1
117 1 1 DC H2'' 1 1 DC H6 3.525 2.925 4.125 3.533 3.533 3.533 . 0 0 "[ ]" 1
118 1 1 DC H2' 1 1 DC H6 2.319 . 2.919 2.121 2.121 2.121 . 0 0 "[ ]" 1
119 2 4 DT H2' 2 5 DG H8 3.621 3.021 4.221 4.139 4.139 4.139 . 0 0 "[ ]" 1
120 1 9 DT Q2' 1 10 DG H8 3.005 2.904 3.605 2.410 2.410 2.410 0.494 1 0 "[ ]" 1
121 2 10 DC H2' 2 11 DG H8 4.782 4.182 5.382 3.899 3.899 3.899 0.283 1 0 "[ ]" 1
122 1 1 DC H2' 1 2 DG H8 4.552 3.952 5.152 3.667 3.667 3.667 0.285 1 0 "[ ]" 1
123 2 9 DA Q2' 2 9 DA H8 . 2.167 2.718 2.211 2.211 2.211 . 0 0 "[ ]" 1
124 1 8 DA Q2' 1 8 DA H8 . 2.219 2.800 2.174 2.174 2.174 0.045 1 0 "[ ]" 1
125 2 3 DA Q2' 2 3 DA H8 2.703 2.103 2.792 2.182 2.182 2.182 . 0 0 "[ ]" 1
126 1 9 DT Q2' 2 9 DA H8 21.802 21.202 22.402 19.950 19.950 19.950 1.252 1 1 [+] 1
127 1 3 DT H2'' 1 4 DA H8 2.931 2.331 3.531 2.724 2.724 2.724 . 0 0 "[ ]" 1
128 1 3 DT H2' 1 4 DA H8 4.356 3.756 4.956 4.089 4.089 4.089 . 0 0 "[ ]" 1
129 2 8 DT Q2' 2 9 DA H8 5.655 5.055 6.255 2.509 2.509 2.509 2.546 1 1 [+] 1
130 2 5 DG Q2' 2 6 DT H6 . 2.788 3.022 2.228 2.228 2.228 0.560 1 1 [+] 1
131 2 6 DT Q2' 2 6 DT H6 . 2.881 2.924 1.976 1.976 1.976 0.905 1 1 [+] 1
132 2 3 DA Q2' 2 4 DT H6 . 3.022 3.174 2.530 2.530 2.530 0.492 1 0 "[ ]" 1
133 1 9 DT Q2' 1 9 DT H6 . 2.183 2.727 1.988 1.988 1.988 0.195 1 0 "[ ]" 1
134 2 4 DT H2'' 2 4 DT H6 3.036 2.436 3.636 3.210 3.210 3.210 . 0 0 "[ ]" 1
135 2 4 DT H2' 2 4 DT H6 2.400 . 3.000 2.050 2.050 2.050 . 0 0 "[ ]" 1
136 2 3 DA H4' 2 3 DA H8 4.941 4.341 5.541 5.019 5.019 5.019 . 0 0 "[ ]" 1
137 1 8 DA H4' 1 8 DA H8 6.482 5.882 7.082 4.837 4.837 4.837 1.045 1 1 [+] 1
138 2 9 DA H4' 2 9 DA H8 5.059 4.459 5.659 4.950 4.950 4.950 . 0 0 "[ ]" 1
139 1 4 DA H4' 1 4 DA H8 6.639 6.039 7.239 5.080 5.080 5.080 0.959 1 1 [+] 1
140 1 2 DG H4' 1 2 DG H8 5.375 4.775 5.975 5.057 5.057 5.057 . 0 0 "[ ]" 1
141 2 7 DG H4' 2 7 DG H8 5.675 5.075 6.275 4.662 4.662 4.662 0.413 1 0 "[ ]" 1
142 2 5 DG H4' 2 5 DG H8 4.729 4.129 5.329 4.806 4.806 4.806 . 0 0 "[ ]" 1
143 2 6 DT H4' 2 6 DT H6 5.129 4.529 5.729 5.155 5.155 5.155 . 0 0 "[ ]" 1
144 1 9 DT H4' 1 9 DT H6 5.473 4.873 6.073 4.869 4.869 4.869 0.004 1 0 "[ ]" 1
145 2 4 DT H4' 2 4 DT H6 4.682 4.082 5.282 4.936 4.936 4.936 . 0 0 "[ ]" 1
146 2 6 DT H3' 2 7 DG H8 5.287 4.687 5.887 4.504 4.504 4.504 0.183 1 0 "[ ]" 1
147 2 4 DT H3' 2 5 DG H8 4.971 4.371 5.571 4.643 4.643 4.643 . 0 0 "[ ]" 1
148 1 7 DC H3' 1 8 DA H8 5.556 4.956 6.156 4.825 4.825 4.825 0.131 1 0 "[ ]" 1
149 1 9 DT H3' 1 10 DG H8 4.607 4.007 5.207 5.100 5.100 5.100 . 0 0 "[ ]" 1
150 1 6 S6G H3' 1 7 DC H6 4.649 4.049 5.249 4.613 4.613 4.613 . 0 0 "[ ]" 1
151 1 3 DT H3' 1 3 DT H6 4.225 3.625 4.825 4.292 4.292 4.292 . 0 0 "[ ]" 1
152 2 8 DT H3' 2 8 DT H6 4.404 3.804 5.004 4.328 4.328 4.328 . 0 0 "[ ]" 1
153 2 6 DT H3' 2 6 DT H6 3.327 2.727 3.927 4.429 4.429 4.429 0.502 1 1 [+] 1
154 1 8 DA H3' 1 9 DT H6 4.105 3.505 4.705 5.112 5.112 5.112 0.407 1 0 "[ ]" 1
155 2 3 DA H3' 2 4 DT H6 4.701 4.101 5.301 5.193 5.193 5.193 . 0 0 "[ ]" 1
156 2 4 DT H3' 2 4 DT H6 4.720 4.120 5.320 4.426 4.426 4.426 . 0 0 "[ ]" 1
157 1 9 DT H3' 1 9 DT H6 5.002 4.402 5.602 4.316 4.316 4.316 0.086 1 0 "[ ]" 1
158 2 5 DG H3' 2 6 DT H6 4.265 3.665 4.865 4.502 4.502 4.502 . 0 0 "[ ]" 1
159 2 6 DT H6 2 7 DG H3' 8.871 8.271 9.471 9.822 9.822 9.822 0.351 1 0 "[ ]" 1
160 1 2 DG H3' 1 3 DT H6 5.013 4.413 5.613 5.319 5.319 5.319 . 0 0 "[ ]" 1
161 1 7 DC H3' 1 7 DC H6 4.026 3.426 4.626 4.330 4.330 4.330 . 0 0 "[ ]" 1
162 1 10 DG H3' 1 11 DC H6 3.765 3.165 4.365 4.702 4.702 4.702 0.337 1 0 "[ ]" 1
163 2 1 DG H3' 2 1 DG H8 3.888 3.288 4.488 4.805 4.805 4.805 0.317 1 0 "[ ]" 1
164 1 4 DA H3' 1 4 DA H8 5.805 5.205 6.405 4.622 4.622 4.622 0.583 1 1 [+] 1
165 2 8 DT H3' 2 9 DA H8 5.701 5.101 6.301 5.127 5.127 5.127 . 0 0 "[ ]" 1
166 2 2 DC H3' 2 3 DA H8 4.491 3.891 5.091 5.132 5.132 5.132 0.041 1 0 "[ ]" 1
167 1 1 DC H3' 1 2 DG H8 4.977 4.377 5.577 5.029 5.029 5.029 . 0 0 "[ ]" 1
168 2 11 DG H3' 2 11 DG H8 4.776 4.176 5.376 4.652 4.652 4.652 . 0 0 "[ ]" 1
169 1 1 DC H3' 1 1 DC H6 3.999 3.399 4.599 4.307 4.307 4.307 . 0 0 "[ ]" 1
170 1 11 DC H3' 1 11 DC H6 2.864 2.264 3.464 4.283 4.283 4.283 0.819 1 1 [+] 1
171 2 2 DC H3' 2 2 DC H6 3.919 3.319 4.519 4.180 4.180 4.180 . 0 0 "[ ]" 1
172 2 5 DG H3' 2 5 DG H8 3.975 3.375 4.575 4.693 4.693 4.693 0.118 1 0 "[ ]" 1
173 1 6 S6G H3' 1 6 S6G H8 3.739 3.139 4.339 4.524 4.524 4.524 0.185 1 0 "[ ]" 1
174 1 10 DG H3' 1 10 DG H8 3.786 3.186 4.386 4.722 4.722 4.722 0.336 1 0 "[ ]" 1
175 2 7 DG H3' 2 7 DG H8 4.041 3.441 4.641 4.503 4.503 4.503 . 0 0 "[ ]" 1
176 1 2 DG H3' 1 2 DG H8 3.971 3.371 4.571 4.772 4.772 4.772 0.201 1 0 "[ ]" 1
177 2 9 DA H3' 2 9 DA H8 4.832 4.232 5.432 4.523 4.523 4.523 . 0 0 "[ ]" 1
178 1 8 DA H3' 1 8 DA H8 4.572 3.972 5.172 4.407 4.407 4.407 . 0 0 "[ ]" 1
179 2 3 DA H3' 2 3 DA H8 4.760 4.160 5.360 4.529 4.529 4.529 . 0 0 "[ ]" 1
180 2 2 DC H6 2 3 DA H8 6.015 5.415 6.615 5.041 5.041 5.041 0.374 1 0 "[ ]" 1
181 1 1 DC H6 1 2 DG H8 6.377 5.777 6.977 4.544 4.544 4.544 1.233 1 1 [+] 1
182 2 10 DC H6 2 11 DG H8 5.967 5.367 6.567 5.030 5.030 5.030 0.337 1 0 "[ ]" 1
183 2 7 DG H8 2 8 DT H6 3.764 3.164 4.364 5.231 5.231 5.231 0.867 1 1 [+] 1
184 1 10 DG H8 1 11 DC H6 4.398 3.798 4.998 5.369 5.369 5.369 0.371 1 0 "[ ]" 1
185 2 5 DG H8 2 6 DT H6 5.011 4.411 5.611 5.099 5.099 5.099 . 0 0 "[ ]" 1
186 2 4 DT H6 2 5 DG H8 5.518 4.918 6.118 4.967 4.967 4.967 . 0 0 "[ ]" 1
187 1 9 DT H6 1 10 DG H8 5.125 4.525 5.725 4.310 4.310 4.310 0.215 1 0 "[ ]" 1
188 1 2 DG H8 1 3 DT H6 4.063 3.463 4.663 5.427 5.427 5.427 0.764 1 1 [+] 1
189 2 9 DA H8 2 10 DC H6 4.376 3.776 4.976 5.164 5.164 5.164 0.188 1 0 "[ ]" 1
190 2 8 DT H6 2 9 DA H8 6.997 6.397 7.597 4.676 4.676 4.676 1.721 1 1 [+] 1
191 2 3 DA H8 2 4 DT H6 4.330 3.730 4.930 4.816 4.816 4.816 . 0 0 "[ ]" 1
192 1 8 DA H8 1 9 DT H6 4.270 3.670 4.870 5.188 5.188 5.188 0.318 1 0 "[ ]" 1
193 2 9 DA H1' 2 9 DA H2 5.673 5.073 6.273 4.532 4.532 4.532 0.541 1 1 [+] 1
194 1 4 DA H2 1 5 DC H1' 4.744 4.144 5.344 4.109 4.109 4.109 0.035 1 0 "[ ]" 1
195 1 10 DG H1' 1 11 DC H6 3.098 2.498 3.698 2.778 2.778 2.778 . 0 0 "[ ]" 1
196 2 1 DG H1' 2 2 DC H6 2.996 2.396 3.596 3.130 3.130 3.130 . 0 0 "[ ]" 1
197 1 4 DA H1' 1 4 DA H2 6.185 5.585 6.785 4.521 4.521 4.521 1.064 1 1 [+] 1
198 2 7 DG H1' 2 8 DT H6 3.196 2.596 3.796 3.463 3.463 3.463 . 0 0 "[ ]" 1
199 1 2 DG H1' 1 3 DT H6 3.020 2.420 3.620 3.284 3.284 3.284 . 0 0 "[ ]" 1
200 2 8 DT H1' 2 8 DT H6 3.812 3.212 4.412 3.751 3.751 3.751 . 0 0 "[ ]" 1
201 1 3 DT H1' 1 3 DT H6 3.243 2.643 3.843 3.756 3.756 3.756 . 0 0 "[ ]" 1
202 2 10 DC H1' 2 10 DC H6 3.450 2.850 4.050 3.763 3.763 3.763 . 0 0 "[ ]" 1
203 1 5 DC H1' 1 5 DC H6 3.619 3.019 4.219 3.742 3.742 3.742 . 0 0 "[ ]" 1
204 1 7 DC H1' 1 7 DC H6 3.525 2.925 4.125 3.748 3.748 3.748 . 0 0 "[ ]" 1
205 1 4 DA H1' 1 4 DA H8 3.609 3.009 4.209 3.904 3.904 3.904 . 0 0 "[ ]" 1
206 2 9 DA H1' 2 9 DA H8 3.230 2.630 3.830 3.909 3.909 3.909 0.079 1 0 "[ ]" 1
207 1 8 DA H1' 1 8 DA H8 3.770 3.170 4.370 3.913 3.913 3.913 . 0 0 "[ ]" 1
208 2 3 DA H1' 2 3 DA H8 3.470 2.870 4.070 3.903 3.903 3.903 . 0 0 "[ ]" 1
209 2 2 DC H1' 2 3 DA H8 3.335 2.735 3.935 3.219 3.219 3.219 . 0 0 "[ ]" 1
210 1 3 DT H1' 1 4 DA H8 4.092 3.492 4.692 3.466 3.466 3.466 0.026 1 0 "[ ]" 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 63
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 16.033
_Distance_constraint_stats_list.Viol_max 1.930
_Distance_constraint_stats_list.Viol_rms 0.5001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2545
_Distance_constraint_stats_list.Viol_average_violations_only 0.8016
_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 2 DG 3.683 1.930 1 1 [+]
1 3 DT 2.567 1.753 1 1 [+]
1 4 DA 1.560 1.090 1 1 [+]
1 5 DC 0.000 0.000 . 0 "[ ]"
1 6 S6G 0.000 0.000 . 0 "[ ]"
1 7 DC 0.000 0.000 . 0 "[ ]"
1 8 DA 2.798 1.524 1 1 [+]
1 9 DT 2.752 1.524 1 1 [+]
1 10 DG 0.682 0.605 1 1 [+]
1 11 DC 0.814 0.670 1 1 [+]
2 1 DG 0.000 0.000 . 0 "[ ]"
2 2 DC 2.455 1.183 1 1 [+]
2 3 DA 1.264 1.264 1 1 [+]
2 4 DT 0.007 0.007 1 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 6 DT 0.000 0.000 . 0 "[ ]"
2 7 DG 0.095 0.095 1 0 "[ ]"
2 8 DT 0.148 0.148 1 0 "[ ]"
2 9 DA 0.955 0.955 1 1 [+]
2 10 DC 2.219 1.264 1 1 [+]
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 2 9 DA H2' 2 9 DA H2'' 1.778 . 2.378 1.805 1.805 1.805 . 0 0 "[ ]" 2
2 1 4 DA H2' 1 4 DA H2'' 1.759 . 2.359 1.807 1.807 1.807 . 0 0 "[ ]" 2
3 1 2 DG H2' 1 2 DG H2'' 1.697 . 2.297 1.808 1.808 1.808 . 0 0 "[ ]" 2
4 2 1 DG H2' 2 1 DG H2'' 1.671 . 2.271 1.804 1.804 1.804 . 0 0 "[ ]" 2
5 1 10 DG H2' 1 10 DG H2'' 2.180 . 2.780 1.806 1.806 1.806 . 0 0 "[ ]" 2
6 2 5 DG H2' 2 5 DG H2'' 1.640 . 2.240 1.807 1.807 1.807 . 0 0 "[ ]" 2
7 1 9 DT H2' 1 9 DT H2'' 1.823 . 2.423 1.807 1.807 1.807 . 0 0 "[ ]" 2
8 2 4 DT H2' 2 4 DT H2'' 2.179 . 2.779 1.807 1.807 1.807 . 0 0 "[ ]" 2
9 1 8 DA H2' 1 8 DA H2'' 1.953 . 2.553 1.804 1.804 1.804 . 0 0 "[ ]" 2
10 2 3 DA H2' 2 3 DA H2'' 1.868 . 2.468 1.805 1.805 1.805 . 0 0 "[ ]" 2
11 2 8 DT H3' 2 8 DT H4' 2.339 . 2.939 2.735 2.735 2.735 . 0 0 "[ ]" 2
12 1 3 DT H3' 1 3 DT H4' 2.301 . 2.901 2.700 2.700 2.700 . 0 0 "[ ]" 2
13 2 4 DT H3' 2 4 DT H4' 2.129 . 2.729 2.736 2.736 2.736 0.007 1 0 "[ ]" 2
14 1 7 DC H3' 1 7 DC H4' 2.221 . 2.821 2.687 2.687 2.687 . 0 0 "[ ]" 2
15 1 11 DC Q2' 1 11 DC H4' 4.174 3.574 4.271 3.430 3.430 3.430 0.144 1 0 "[ ]" 2
16 1 8 DA Q2' 1 8 DA H4' 5.296 4.696 5.896 3.423 3.423 3.423 1.273 1 1 [+] 2
17 2 3 DA Q2' 2 3 DA H4' 3.371 2.771 3.971 3.420 3.420 3.420 . 0 0 "[ ]" 2
18 2 9 DA Q2' 2 9 DA H4' 3.568 2.968 4.168 3.419 3.419 3.419 . 0 0 "[ ]" 2
19 1 4 DA Q2' 1 4 DA H4' 5.105 4.505 5.705 3.415 3.415 3.415 1.090 1 1 [+] 2
20 1 2 DG Q2' 1 2 DG H4' 5.950 5.350 6.550 3.420 3.420 3.420 1.930 1 1 [+] 2
21 1 10 DG Q2' 1 10 DG H4' 4.624 4.024 5.224 3.419 3.419 3.419 0.605 1 1 [+] 2
22 2 7 DG Q2' 2 7 DG H4' 4.123 3.523 4.723 3.428 3.428 3.428 0.095 1 0 "[ ]" 2
23 1 8 DA H3' 1 9 DT M7 . 5.905 6.068 4.381 4.381 4.381 1.524 1 1 [+] 2
24 1 2 DG H3' 1 3 DT M7 . 6.243 6.408 4.490 4.490 4.490 1.753 1 1 [+] 2
25 2 8 DT Q2' 2 8 DT H3' 2.469 2.007 3.069 2.242 2.242 2.242 . 0 0 "[ ]" 2
26 1 3 DT H2' 1 3 DT H3' 2.140 . 2.740 2.396 2.396 2.396 . 0 0 "[ ]" 2
27 1 3 DT H2'' 1 3 DT H3' 3.798 3.198 4.398 2.706 2.706 2.706 0.492 1 0 "[ ]" 2
28 1 10 DG Q2' 1 10 DG H3' 2.269 . 2.869 2.263 2.263 2.263 . 0 0 "[ ]" 2
29 2 7 DG Q2' 2 7 DG H3' 2.117 . 2.717 2.251 2.251 2.251 . 0 0 "[ ]" 2
30 2 9 DA Q2' 2 9 DA H3' 2.156 . 2.756 2.247 2.247 2.247 . 0 0 "[ ]" 2
31 1 4 DA Q2' 1 4 DA H3' 2.687 2.087 3.287 2.264 2.264 2.264 . 0 0 "[ ]" 2
32 1 8 DA Q2' 1 8 DA H3' 2.253 . 2.853 2.233 2.233 2.233 . 0 0 "[ ]" 2
33 2 3 DA Q2' 2 3 DA H3' 2.719 2.119 3.319 2.252 2.252 2.252 . 0 0 "[ ]" 2
34 1 9 DT H1' 1 9 DT H3' 5.520 4.920 6.120 3.693 3.693 3.693 1.227 1 1 [+] 2
35 2 6 DT H1' 2 6 DT H3' 3.655 3.055 4.255 3.690 3.690 3.690 . 0 0 "[ ]" 2
36 2 9 DA H1' 2 9 DA H3' 3.562 2.962 4.162 3.733 3.733 3.733 . 0 0 "[ ]" 2
37 1 4 DA H1' 1 4 DA H3' 3.714 3.114 4.314 3.694 3.694 3.694 . 0 0 "[ ]" 2
38 1 8 DA H1' 1 8 DA H3' 4.018 3.418 4.618 3.792 3.792 3.792 . 0 0 "[ ]" 2
39 2 3 DA H1' 2 3 DA H3' 3.291 2.691 3.891 3.735 3.735 3.735 . 0 0 "[ ]" 2
40 1 11 DC Q2' 1 11 DC H5 2.931 2.331 3.531 4.201 4.201 4.201 0.670 1 1 [+] 2
41 2 2 DC Q2' 2 2 DC H5 5.599 4.999 6.199 4.156 4.156 4.156 0.843 1 1 [+] 2
42 1 4 DA H1' 1 4 DA Q2' 2.206 . 2.806 2.369 2.369 2.369 . 0 0 "[ ]" 2
43 1 8 DA H1' 1 8 DA Q2' 2.585 . 2.904 2.354 2.354 2.354 . 0 0 "[ ]" 2
44 1 11 DC H1' 1 11 DC Q2' . 2.272 2.737 2.335 2.335 2.335 . 0 0 "[ ]" 2
45 2 9 DA Q2' 2 10 DC H6 3.796 3.320 4.396 2.365 2.365 2.365 0.955 1 1 [+] 2
46 1 4 DA Q2' 1 5 DC H6 . 2.335 2.783 2.520 2.520 2.520 . 0 0 "[ ]" 2
47 1 3 DT H2' 1 3 DT H6 2.295 . 2.895 2.031 2.031 2.031 . 0 0 "[ ]" 2
48 1 10 DG H4' 1 10 DG H8 5.702 5.102 6.302 5.025 5.025 5.025 0.077 1 0 "[ ]" 2
49 1 6 S6G H4' 1 6 S6G H8 5.078 4.478 5.678 4.714 4.714 4.714 . 0 0 "[ ]" 2
50 1 6 S6G H8 1 7 DC H6 5.048 4.448 5.648 5.146 5.146 5.146 . 0 0 "[ ]" 2
51 1 5 DC H6 1 6 S6G H8 5.727 5.127 6.327 5.336 5.336 5.336 . 0 0 "[ ]" 2
52 1 4 DA H8 1 5 DC H6 5.283 4.683 5.883 4.914 4.914 4.914 . 0 0 "[ ]" 2
53 1 3 DT H6 1 4 DA H8 5.551 4.951 6.151 4.629 4.629 4.629 0.322 1 0 "[ ]" 2
54 1 7 DC H5 1 7 DC H6 2.234 . 2.834 2.436 2.436 2.436 . 0 0 "[ ]" 2
55 1 5 DC H5 1 5 DC H6 2.517 . 3.117 2.440 2.440 2.440 . 0 0 "[ ]" 2
56 2 10 DC H5 2 10 DC H6 2.313 . 2.913 2.434 2.434 2.434 . 0 0 "[ ]" 2
57 2 3 DA H2 2 10 DC H5 24.416 23.816 25.016 22.552 22.552 22.552 1.264 1 1 [+] 2
58 1 11 DC H5 1 11 DC H6 2.010 . 2.610 2.443 2.443 2.443 . 0 0 "[ ]" 2
59 2 2 DC H5 2 2 DC H6 4.221 3.621 4.821 2.438 2.438 2.438 1.183 1 1 [+] 2
60 2 2 DC H1' 2 2 DC H6 4.792 4.192 5.392 3.763 3.763 3.763 0.429 1 0 "[ ]" 2
61 1 4 DA H2 2 8 DT H1' 4.593 3.993 5.193 5.341 5.341 5.341 0.148 1 0 "[ ]" 2
62 1 4 DA H1' 1 5 DC H6 3.255 2.655 3.855 3.518 3.518 3.518 . 0 0 "[ ]" 2
63 2 9 DA H1' 2 10 DC H6 3.577 2.977 4.177 3.003 3.003 3.003 . 0 0 "[ ]" 2
stop_
save_
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