NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
481540 |
1eln   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eln
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 454
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 6.557
_Distance_constraint_stats_list.Viol_max 0.306
_Distance_constraint_stats_list.Viol_rms 0.0410
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.0729
_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 0.212 0.108 1 0 "[ ]"
1 2 DC 0.610 0.167 1 0 "[ ]"
1 3 DC 0.338 0.141 1 0 "[ ]"
1 4 DT 0.914 0.265 1 0 "[ ]"
1 5 DA 0.708 0.255 1 0 "[ ]"
1 6 DA 0.077 0.051 1 0 "[ ]"
1 7 5CM 0.115 0.051 1 0 "[ ]"
1 8 DC 0.297 0.117 1 0 "[ ]"
1 9 DC 0.630 0.206 1 0 "[ ]"
1 10 DT 0.580 0.118 1 0 "[ ]"
1 11 DA 0.154 0.064 1 0 "[ ]"
1 12 DA 0.375 0.127 1 0 "[ ]"
1 13 DC 0.622 0.142 1 0 "[ ]"
1 14 DC 0.208 0.075 1 0 "[ ]"
1 15 DC 0.973 0.306 1 0 "[ ]"
1 16 DU 0.382 0.159 1 0 "[ ]"
1 17 DA 0.513 0.159 1 0 "[ ]"
1 18 DA 0.449 0.122 1 0 "[ ]"
1 19 DC 1.452 0.306 1 0 "[ ]"
1 20 DC 0.335 0.106 1 0 "[ ]"
1 21 DC 0.358 0.174 1 0 "[ ]"
1 22 DT 0.170 0.119 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 1 DC H1' 1 1 DC H4' 2.800 2.100 3.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
2 1 1 DC H5'' 1 1 DC H6 3.300 2.700 3.900 2.693 2.693 2.693 0.007 1 0 "[ ]" 1
3 1 1 DC H1' 1 1 DC H6 3.200 2.800 3.600 3.708 3.708 3.708 0.108 1 0 "[ ]" 1
4 1 1 DC H3' 1 1 DC H6 2.800 2.500 3.100 2.840 2.840 2.840 . 0 0 "[ ]" 1
5 1 1 DC H5' 1 1 DC H6 3.300 2.700 3.900 2.715 2.715 2.715 . 0 0 "[ ]" 1
6 1 1 DC H2' 1 1 DC H6 2.700 2.300 3.100 2.738 2.738 2.738 . 0 0 "[ ]" 1
7 1 1 DC H41 1 9 DC H2'' 3.600 3.600 28.600 3.920 3.920 3.920 . 0 0 "[ ]" 1
8 1 1 DC H41 1 9 DC H2' 3.700 2.300 3.700 2.523 2.523 2.523 . 0 0 "[ ]" 1
9 1 1 DC H42 1 9 DC H42 4.200 4.200 29.200 4.231 4.231 4.231 . 0 0 "[ ]" 1
10 1 1 DC H3 1 10 DT H3 3.700 2.300 4.200 3.268 3.268 3.268 . 0 0 "[ ]" 1
11 1 1 DC H41 1 10 DT H6 4.200 4.200 29.200 4.163 4.163 4.163 0.037 1 0 "[ ]" 1
12 1 1 DC H42 1 10 DT H6 4.200 4.200 29.200 4.371 4.371 4.371 . 0 0 "[ ]" 1
13 1 1 DC H1' 1 21 DC H1' 3.700 2.300 3.700 3.726 3.726 3.726 0.026 1 0 "[ ]" 1
14 1 1 DC H1' 1 21 DC H2' 3.700 2.300 3.700 3.399 3.399 3.399 . 0 0 "[ ]" 1
15 1 1 DC H1' 1 22 DT H4' 3.700 2.300 3.700 3.720 3.720 3.720 0.020 1 0 "[ ]" 1
16 1 1 DC H1' 1 22 DT H6 4.700 3.200 4.700 3.619 3.619 3.619 . 0 0 "[ ]" 1
17 1 2 DC H1' 1 2 DC H4' 2.600 2.300 2.900 3.067 3.067 3.067 0.167 1 0 "[ ]" 1
18 1 2 DC H3' 1 2 DC H6 2.500 2.200 2.800 2.854 2.854 2.854 0.054 1 0 "[ ]" 1
19 1 2 DC H4' 1 2 DC H6 3.800 3.200 4.400 4.471 4.471 4.471 0.071 1 0 "[ ]" 1
20 1 2 DC C5' 1 2 DC H6 3.100 2.500 4.700 3.813 3.813 3.813 . 0 0 "[ ]" 1
21 1 2 DC H1' 1 2 DC H6 3.200 2.800 3.600 3.691 3.691 3.691 0.091 1 0 "[ ]" 1
22 1 2 DC H42 1 8 DC H2' 3.700 2.300 3.700 2.751 2.751 2.751 . 0 0 "[ ]" 1
23 1 2 DC H3 1 20 DC H3 3.700 2.300 4.700 3.509 3.509 3.509 . 0 0 "[ ]" 1
24 1 2 DC H1' 1 21 DC H4' 3.700 2.300 3.700 3.727 3.727 3.727 0.027 1 0 "[ ]" 1
25 1 2 DC H41 1 21 DC H41 4.200 4.200 29.200 4.698 4.698 4.698 . 0 0 "[ ]" 1
26 1 3 DC H1' 1 3 DC H4' 2.600 2.200 3.000 3.141 3.141 3.141 0.141 1 0 "[ ]" 1
27 1 3 DC H3' 1 3 DC H6 2.800 2.500 3.100 3.120 3.120 3.120 0.020 1 0 "[ ]" 1
28 1 3 DC H2' 1 3 DC H6 2.500 2.100 2.900 2.336 2.336 2.336 . 0 0 "[ ]" 1
29 1 3 DC H4' 1 3 DC H6 3.800 3.100 4.500 4.517 4.517 4.517 0.017 1 0 "[ ]" 1
30 1 3 DC H1' 1 3 DC H6 3.200 2.400 4.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
31 1 3 DC C5' 1 3 DC H6 3.800 3.100 5.500 3.699 3.699 3.699 . 0 0 "[ ]" 1
32 1 3 DC H2' 1 4 DT H2' 4.700 2.820 5.200 4.030 4.030 4.030 . 0 0 "[ ]" 1
33 1 3 DC H2' 1 4 DT H2'' 4.700 4.090 29.700 4.683 4.683 4.683 . 0 0 "[ ]" 1
34 1 3 DC H2'' 1 4 DT H2' 4.700 2.820 5.200 3.413 3.413 3.413 . 0 0 "[ ]" 1
35 1 3 DC H2'' 1 4 DT H2'' 4.700 4.090 29.700 4.692 4.692 4.692 . 0 0 "[ ]" 1
36 1 3 DC H41 1 7 5CM H2' 3.700 2.300 3.700 2.607 2.607 2.607 . 0 0 "[ ]" 1
37 1 3 DC H41 1 7 5CM C5A 3.700 3.700 28.700 4.584 4.584 4.584 . 0 0 "[ ]" 1
38 1 3 DC H42 1 7 5CM C5A 4.700 2.700 5.200 3.838 3.838 3.838 . 0 0 "[ ]" 1
39 1 3 DC H42 1 7 5CM H2' 3.700 2.300 3.700 2.663 2.663 2.663 . 0 0 "[ ]" 1
40 1 3 DC H1' 1 15 DC H41 4.700 3.200 4.700 3.883 3.883 3.883 . 0 0 "[ ]" 1
41 1 3 DC H1' 1 19 DC H2' 3.700 2.300 3.700 3.797 3.797 3.797 0.097 1 0 "[ ]" 1
42 1 3 DC H1' 1 19 DC H1' 4.700 3.200 4.700 3.160 3.160 3.160 0.040 1 0 "[ ]" 1
43 1 3 DC H1' 1 20 DC H4' 4.700 3.200 4.700 3.514 3.514 3.514 . 0 0 "[ ]" 1
44 1 3 DC H2'' 1 4 DT C5' 4.700 2.590 6.200 4.187 4.187 4.187 . 0 0 "[ ]" 1
45 1 3 DC H3' 1 4 DT H2' 4.700 4.090 29.700 5.597 5.597 5.597 . 0 0 "[ ]" 1
46 1 3 DC H3' 1 4 DT H2'' 4.700 4.090 29.700 6.345 6.345 6.345 . 0 0 "[ ]" 1
47 1 3 DC H6 1 4 DT H3' 4.700 4.090 29.700 4.755 4.755 4.755 . 0 0 "[ ]" 1
48 1 3 DC H2' 1 4 DT H3' 2.700 . 3.200 2.554 2.554 2.554 . 0 0 "[ ]" 1
49 1 3 DC H2' 1 4 DT H5' 3.800 3.200 28.800 5.364 5.364 5.364 . 0 0 "[ ]" 1
50 1 3 DC H2' 1 4 DT H5'' 3.800 3.200 28.800 4.989 4.989 4.989 . 0 0 "[ ]" 1
51 1 3 DC H3' 1 4 DT H6 4.700 4.090 29.700 7.672 7.672 7.672 . 0 0 "[ ]" 1
52 1 3 DC H2'' 1 4 DT H6 4.700 2.590 5.200 5.215 5.215 5.215 0.015 1 0 "[ ]" 1
53 1 3 DC H2' 1 4 DT H6 4.700 4.090 29.700 6.086 6.086 6.086 . 0 0 "[ ]" 1
54 1 4 DT C5' 1 4 DT H2'' 3.100 2.750 4.950 4.417 4.417 4.417 . 0 0 "[ ]" 1
55 1 4 DT H1' 1 4 DT H4' 3.200 2.480 4.420 3.646 3.646 3.646 . 0 0 "[ ]" 1
56 1 4 DT H3' 1 4 DT H5'' 2.700 2.090 3.500 3.230 3.230 3.230 . 0 0 "[ ]" 1
57 1 4 DT H3' 1 4 DT H5' 2.700 2.090 3.500 3.229 3.229 3.229 . 0 0 "[ ]" 1
58 1 4 DT H2' 1 4 DT H3' 2.400 . 3.310 2.242 2.242 2.242 . 0 0 "[ ]" 1
59 1 4 DT H2'' 1 4 DT H4' 3.500 2.710 4.790 3.656 3.656 3.656 . 0 0 "[ ]" 1
60 1 4 DT H2' 1 4 DT H6 2.400 . 3.440 2.174 2.174 2.174 . 0 0 "[ ]" 1
61 1 4 DT H4' 1 4 DT H6 4.800 3.720 6.380 5.608 5.608 5.608 . 0 0 "[ ]" 1
62 1 4 DT H3' 1 4 DT H6 4.200 3.250 5.650 4.375 4.375 4.375 . 0 0 "[ ]" 1
63 1 4 DT H1' 1 4 DT H6 2.300 . 2.800 2.842 2.842 2.842 0.042 1 0 "[ ]" 1
64 1 4 DT H2'' 1 4 DT H6 2.900 2.080 27.400 2.899 2.899 2.899 . 0 0 "[ ]" 1
65 1 4 DT H3 1 5 DA H2 3.700 . 5.200 5.455 5.455 5.455 0.255 1 0 "[ ]" 1
66 1 4 DT H3' 1 5 DA H8 4.700 4.090 29.700 6.595 6.595 6.595 . 0 0 "[ ]" 1
67 1 4 DT H6 1 5 DA H8 4.700 4.090 29.700 4.028 4.028 4.028 0.062 1 0 "[ ]" 1
68 1 4 DT H6 1 5 DA H4' 4.700 4.090 29.700 5.916 5.916 5.916 . 0 0 "[ ]" 1
69 1 4 DT H1' 1 18 DA H1' 4.700 4.100 29.700 7.494 7.494 7.494 . 0 0 "[ ]" 1
70 1 4 DT H3 1 19 DC H4' 4.700 3.500 5.300 5.565 5.565 5.565 0.265 1 0 "[ ]" 1
71 1 4 DT H6 1 19 DC H5'' 4.700 4.090 29.700 6.536 6.536 6.536 . 0 0 "[ ]" 1
72 1 4 DT H6 1 19 DC H5' 4.700 4.090 29.700 5.442 5.442 5.442 . 0 0 "[ ]" 1
73 1 4 DT H6 1 19 DC H4' 4.700 4.090 29.700 4.651 4.651 4.651 . 0 0 "[ ]" 1
74 1 4 DT H2'' 1 5 DA C5' 3.700 . 5.700 2.768 2.768 2.768 . 0 0 "[ ]" 1
75 1 4 DT H1' 1 5 DA C5' 3.700 . 5.700 4.244 4.244 4.244 . 0 0 "[ ]" 1
76 1 4 DT H1' 1 5 DA H2 4.700 4.140 29.700 4.117 4.117 4.117 0.023 1 0 "[ ]" 1
77 1 4 DT H6 1 5 DA H2 4.700 4.140 29.700 4.120 4.120 4.120 0.020 1 0 "[ ]" 1
78 1 4 DT H2' 1 5 DA H2' 4.700 4.090 29.700 5.082 5.082 5.082 . 0 0 "[ ]" 1
79 1 4 DT H2' 1 5 DA H4' 4.700 4.090 29.700 5.707 5.707 5.707 . 0 0 "[ ]" 1
80 1 4 DT H1' 1 5 DA H4' 4.700 4.090 29.700 4.606 4.606 4.606 . 0 0 "[ ]" 1
81 1 4 DT H2'' 1 5 DA H4' 4.700 2.590 5.700 3.971 3.971 3.971 . 0 0 "[ ]" 1
82 1 4 DT H2' 1 5 DA H5' 4.200 3.650 29.200 4.316 4.316 4.316 . 0 0 "[ ]" 1
83 1 4 DT H2' 1 5 DA H5'' 4.200 3.650 29.200 5.421 5.421 5.421 . 0 0 "[ ]" 1
84 1 4 DT H1' 1 5 DA H8 4.700 2.590 5.700 5.735 5.735 5.735 0.035 1 0 "[ ]" 1
85 1 4 DT H2' 1 5 DA H8 3.700 3.260 28.700 4.758 4.758 4.758 . 0 0 "[ ]" 1
86 1 4 DT H2'' 1 5 DA H8 3.700 . 4.700 4.539 4.539 4.539 . 0 0 "[ ]" 1
87 1 5 DA H1' 1 5 DA H4' 3.000 2.320 4.070 2.985 2.985 2.985 . 0 0 "[ ]" 1
88 1 5 DA H5' 1 5 DA H8 4.700 3.640 6.080 5.947 5.947 5.947 . 0 0 "[ ]" 1
89 1 5 DA H5'' 1 5 DA H8 4.700 3.640 6.080 5.967 5.967 5.967 . 0 0 "[ ]" 1
90 1 5 DA H1' 1 5 DA H8 3.500 3.040 4.630 3.681 3.681 3.681 . 0 0 "[ ]" 1
91 1 5 DA H3' 1 5 DA H8 3.900 3.020 5.130 3.992 3.992 3.992 . 0 0 "[ ]" 1
92 1 5 DA H4' 1 5 DA H8 4.700 3.640 6.080 5.409 5.409 5.409 . 0 0 "[ ]" 1
93 1 5 DA H2' 1 5 DA H8 2.500 . 3.470 1.871 1.871 1.871 0.069 1 0 "[ ]" 1
94 1 5 DA H1' 1 18 DA H1' 4.700 4.100 29.700 4.944 4.944 4.944 . 0 0 "[ ]" 1
95 1 5 DA H2 1 18 DA H2' 4.700 3.640 29.700 8.307 8.307 8.307 . 0 0 "[ ]" 1
96 1 5 DA H2 1 18 DA H2'' 4.700 3.640 29.700 6.597 6.597 6.597 . 0 0 "[ ]" 1
97 1 5 DA H3' 1 6 DA H3' 4.700 3.000 5.700 4.117 4.117 4.117 . 0 0 "[ ]" 1
98 1 5 DA H4' 1 6 DA H8 4.700 4.140 29.700 5.040 5.040 5.040 . 0 0 "[ ]" 1
99 1 5 DA H8 1 6 DA H8 4.700 4.140 29.700 6.478 6.478 6.478 . 0 0 "[ ]" 1
100 1 5 DA H1' 1 6 DA H8 4.700 3.000 5.700 5.345 5.345 5.345 . 0 0 "[ ]" 1
101 1 5 DA H2'' 1 6 DA H8 3.700 . 4.700 3.646 3.646 3.646 . 0 0 "[ ]" 1
102 1 5 DA H3' 1 6 DA H8 4.700 3.000 5.700 4.293 4.293 4.293 . 0 0 "[ ]" 1
103 1 5 DA H2' 1 6 DA H8 3.500 3.080 28.500 4.874 4.874 4.874 . 0 0 "[ ]" 1
104 1 6 DA H1' 1 6 DA H4' 3.600 2.790 4.770 3.628 3.628 3.628 . 0 0 "[ ]" 1
105 1 6 DA H5' 1 6 DA H8 4.200 3.250 5.490 3.687 3.687 3.687 . 0 0 "[ ]" 1
106 1 6 DA H2' 1 6 DA H8 2.500 . 3.470 2.622 2.622 2.622 . 0 0 "[ ]" 1
107 1 6 DA H3' 1 6 DA H8 3.600 2.790 4.770 3.559 3.559 3.559 . 0 0 "[ ]" 1
108 1 6 DA H4' 1 6 DA H8 4.700 3.640 6.080 4.721 4.721 4.721 . 0 0 "[ ]" 1
109 1 6 DA H5'' 1 6 DA H8 4.200 3.250 5.490 4.224 4.224 4.224 . 0 0 "[ ]" 1
110 1 6 DA H1' 1 6 DA H8 3.400 2.630 4.540 3.933 3.933 3.933 . 0 0 "[ ]" 1
111 1 6 DA H1' 1 7 5CM H5' 4.200 3.700 29.200 3.779 3.779 3.779 . 0 0 "[ ]" 1
112 1 6 DA H2'' 1 7 5CM H3' 3.700 . 4.700 4.726 4.726 4.726 0.026 1 0 "[ ]" 1
113 1 6 DA H2 1 16 DU H4' 3.700 . 5.700 5.163 5.163 5.163 . 0 0 "[ ]" 1
114 1 6 DA H2 1 16 DU C5' 4.200 . 7.200 5.168 5.168 5.168 . 0 0 "[ ]" 1
115 1 6 DA H2 1 16 DU H1' 4.700 2.500 6.700 5.578 5.578 5.578 . 0 0 "[ ]" 1
116 1 6 DA H2 1 16 DU H6 3.700 . 5.700 4.252 4.252 4.252 . 0 0 "[ ]" 1
117 1 6 DA H2'' 1 16 DU H6 4.700 3.000 6.700 5.370 5.370 5.370 . 0 0 "[ ]" 1
118 1 6 DA H8 1 16 DU H5 3.700 . 28.700 4.340 4.340 4.340 . 0 0 "[ ]" 1
119 1 6 DA H61 1 17 DA H62 1.800 . 26.800 5.002 5.002 5.002 . 0 0 "[ ]" 1
120 1 6 DA H61 1 17 DA H61 1.800 . 26.800 6.524 6.524 6.524 . 0 0 "[ ]" 1
121 1 6 DA H62 1 17 DA H62 1.800 . 26.800 3.361 3.361 3.361 . 0 0 "[ ]" 1
122 1 6 DA H62 1 17 DA H61 1.800 . 26.800 4.842 4.842 4.842 . 0 0 "[ ]" 1
123 1 3 DC H5 1 7 5CM C5A 3.700 . 4.200 4.086 4.086 4.086 . 0 0 "[ ]" 1
124 1 5 DA H8 1 7 5CM C5A 4.700 3.000 6.200 6.189 6.189 6.189 . 0 0 "[ ]" 1
125 1 5 DA H8 1 7 5CM H6 4.700 4.140 29.700 7.356 7.356 7.356 . 0 0 "[ ]" 1
126 1 6 DA H1' 1 7 5CM C5' 3.700 . 5.700 4.626 4.626 4.626 . 0 0 "[ ]" 1
127 1 6 DA H2'' 1 7 5CM C5' 3.700 . 5.700 2.717 2.717 2.717 . 0 0 "[ ]" 1
128 1 6 DA H2'' 1 7 5CM C5A 3.700 . 5.200 5.251 5.251 5.251 0.051 1 0 "[ ]" 1
129 1 6 DA H3' 1 7 5CM C5A 3.700 . 5.200 3.789 3.789 3.789 . 0 0 "[ ]" 1
130 1 6 DA H8 1 7 5CM C5A 4.700 4.140 29.700 5.923 5.923 5.923 . 0 0 "[ ]" 1
131 1 6 DA H2'' 1 7 5CM H4' 3.700 . 4.700 3.348 3.348 3.348 . 0 0 "[ ]" 1
132 1 6 DA H2' 1 7 5CM H5' 3.800 3.340 28.800 3.885 3.885 3.885 . 0 0 "[ ]" 1
133 1 6 DA H2' 1 7 5CM H5'' 4.200 2.150 5.200 5.188 5.188 5.188 . 0 0 "[ ]" 1
134 1 6 DA H8 1 7 5CM H6 4.700 4.140 29.700 5.763 5.763 5.763 . 0 0 "[ ]" 1
135 1 6 DA H2'' 1 7 5CM H6 3.700 . 4.700 3.390 3.390 3.390 . 0 0 "[ ]" 1
136 1 6 DA H1' 1 7 5CM H6 4.700 3.000 5.700 5.609 5.609 5.609 . 0 0 "[ ]" 1
137 1 6 DA H2' 1 7 5CM H6 3.200 2.820 28.200 3.421 3.421 3.421 . 0 0 "[ ]" 1
138 1 6 DA H3' 1 7 5CM H6 3.700 . 4.700 3.571 3.571 3.571 . 0 0 "[ ]" 1
139 1 7 5CM C5A 1 7 5CM H3' 3.700 2.960 5.900 5.390 5.390 5.390 . 0 0 "[ ]" 1
140 1 7 5CM H1' 1 7 5CM H4' 3.000 2.400 4.600 3.470 3.470 3.470 . 0 0 "[ ]" 1
141 1 7 5CM H5' 1 7 5CM H6 4.200 3.360 6.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
142 1 7 5CM H3' 1 7 5CM H6 2.400 . 3.900 3.025 3.025 3.025 . 0 0 "[ ]" 1
143 1 7 5CM H2' 1 7 5CM H6 2.500 . 4.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
144 1 7 5CM H1' 1 7 5CM H6 3.000 2.400 4.600 3.719 3.719 3.719 . 0 0 "[ ]" 1
145 1 7 5CM H4' 1 7 5CM H6 4.000 3.200 5.800 4.114 4.114 4.114 . 0 0 "[ ]" 1
146 1 7 5CM H5'' 1 7 5CM H6 4.200 3.360 6.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
147 1 7 5CM H1' 1 15 DC H2' 3.700 3.700 28.700 3.780 3.780 3.780 . 0 0 "[ ]" 1
148 1 7 5CM H1' 1 15 DC H2'' 2.700 . 2.700 2.369 2.369 2.369 . 0 0 "[ ]" 1
149 1 7 5CM H1' 1 16 DU H1' 4.700 4.140 29.700 7.431 7.431 7.431 . 0 0 "[ ]" 1
150 1 7 5CM H4' 1 16 DU H5 4.200 3.600 29.200 4.347 4.347 4.347 . 0 0 "[ ]" 1
151 1 2 DC H3 1 8 DC H41 3.700 2.300 4.200 4.005 4.005 4.005 . 0 0 "[ ]" 1
152 1 2 DC H2'' 1 8 DC H41 3.500 3.500 28.500 3.416 3.416 3.416 0.084 1 0 "[ ]" 1
153 1 2 DC H2' 1 8 DC H41 3.700 2.300 3.700 3.221 3.221 3.221 . 0 0 "[ ]" 1
154 1 2 DC H2'' 1 8 DC H42 3.700 2.300 3.700 3.817 3.817 3.817 0.117 1 0 "[ ]" 1
155 1 3 DC H3 1 8 DC H41 3.700 2.300 4.200 3.252 3.252 3.252 . 0 0 "[ ]" 1
156 1 7 5CM H2' 1 8 DC H6 3.700 2.300 3.700 3.738 3.738 3.738 0.038 1 0 "[ ]" 1
157 1 7 5CM H3' 1 8 DC H6 4.700 3.200 4.700 4.236 4.236 4.236 . 0 0 "[ ]" 1
158 1 8 DC H1' 1 8 DC H4' 3.000 2.500 3.500 3.463 3.463 3.463 . 0 0 "[ ]" 1
159 1 8 DC H3' 1 8 DC H6 2.300 . 2.600 2.642 2.642 2.642 0.042 1 0 "[ ]" 1
160 1 8 DC H2' 1 8 DC H6 3.000 2.550 3.450 2.768 2.768 2.768 . 0 0 "[ ]" 1
161 1 8 DC H1' 1 8 DC H6 3.400 2.900 3.900 3.728 3.728 3.728 . 0 0 "[ ]" 1
162 1 8 DC H5' 1 8 DC H6 3.700 3.000 4.400 3.546 3.546 3.546 . 0 0 "[ ]" 1
163 1 8 DC H5'' 1 8 DC H6 3.700 3.000 4.400 3.807 3.807 3.807 . 0 0 "[ ]" 1
164 1 8 DC H4' 1 8 DC H6 3.800 3.100 4.500 4.117 4.117 4.117 . 0 0 "[ ]" 1
165 1 8 DC H1' 1 14 DC H2' 3.700 2.300 3.700 3.320 3.320 3.320 . 0 0 "[ ]" 1
166 1 8 DC H1' 1 14 DC H1' 4.700 3.200 4.700 3.189 3.189 3.189 0.011 1 0 "[ ]" 1
167 1 8 DC H1' 1 15 DC H4' 3.700 2.300 3.700 3.704 3.704 3.704 0.004 1 0 "[ ]" 1
168 1 8 DC H1' 1 15 DC H1' 3.700 2.300 3.700 3.669 3.669 3.669 . 0 0 "[ ]" 1
169 1 1 DC H2'' 1 9 DC H41 3.200 3.200 23.200 4.035 4.035 4.035 . 0 0 "[ ]" 1
170 1 1 DC H2' 1 9 DC H41 3.700 2.300 3.700 2.623 2.623 2.623 . 0 0 "[ ]" 1
171 1 1 DC H2' 1 9 DC H42 3.700 2.300 3.700 3.197 3.197 3.197 . 0 0 "[ ]" 1
172 1 9 DC H1' 1 9 DC H4' 2.600 2.150 3.050 3.256 3.256 3.256 0.206 1 0 "[ ]" 1
173 1 9 DC H3' 1 9 DC H6 2.300 2.050 2.550 2.600 2.600 2.600 0.050 1 0 "[ ]" 1
174 1 9 DC H1' 1 9 DC H6 3.200 2.700 3.700 3.708 3.708 3.708 0.008 1 0 "[ ]" 1
175 1 9 DC H2' 1 9 DC H6 2.500 2.100 2.900 2.800 2.800 2.800 . 0 0 "[ ]" 1
176 1 9 DC H1' 1 13 DC H2' 3.700 2.300 3.700 2.930 2.930 2.930 . 0 0 "[ ]" 1
177 1 9 DC H1' 1 14 DC H1' 4.700 3.200 4.700 3.172 3.172 3.172 0.028 1 0 "[ ]" 1
178 1 1 DC H41 1 10 DT H3 3.700 2.300 3.700 3.693 3.693 3.693 . 0 0 "[ ]" 1
179 1 1 DC H5 1 10 DT H3 4.700 3.200 4.700 4.713 4.713 4.713 0.013 1 0 "[ ]" 1
180 1 1 DC H42 1 10 DT H3 3.800 3.800 28.800 4.268 4.268 4.268 . 0 0 "[ ]" 1
181 1 9 DC H2'' 1 10 DT H6 4.700 3.200 4.700 4.795 4.795 4.795 0.095 1 0 "[ ]" 1
182 1 9 DC H2' 1 10 DT H6 4.200 4.200 24.200 4.095 4.095 4.095 0.105 1 0 "[ ]" 1
183 1 9 DC H3' 1 10 DT H6 4.700 3.200 4.700 4.585 4.585 4.585 . 0 0 "[ ]" 1
184 1 10 DT H1' 1 10 DT H4' 2.800 . 3.800 3.351 3.351 3.351 . 0 0 "[ ]" 1
185 1 10 DT H1' 1 10 DT H3 4.700 3.200 4.700 4.473 4.473 4.473 . 0 0 "[ ]" 1
186 1 10 DT C5' 1 10 DT H6 3.100 2.600 4.600 3.613 3.613 3.613 . 0 0 "[ ]" 1
187 1 10 DT H1' 1 10 DT H6 3.300 2.600 4.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
188 1 10 DT H3' 1 10 DT H6 3.800 3.200 4.400 3.082 3.082 3.082 0.118 1 0 "[ ]" 1
189 1 10 DT H2' 1 10 DT H6 2.500 2.100 2.900 2.074 2.074 2.074 0.026 1 0 "[ ]" 1
190 1 10 DT H4' 1 10 DT H6 3.800 3.100 4.500 4.563 4.563 4.563 0.063 1 0 "[ ]" 1
191 1 10 DT H3 1 11 DA H1' 4.200 3.780 29.200 4.643 4.643 4.643 . 0 0 "[ ]" 1
192 1 10 DT H3 1 11 DA H2 3.700 . 3.700 3.718 3.718 3.718 0.018 1 0 "[ ]" 1
193 1 10 DT H3 1 13 DC H42 4.700 4.700 29.700 6.188 6.188 6.188 . 0 0 "[ ]" 1
194 1 10 DT H3 1 13 DC H41 4.700 3.200 4.700 4.723 4.723 4.723 0.023 1 0 "[ ]" 1
195 1 10 DT H4' 1 13 DC H1' 3.700 2.300 3.700 3.717 3.717 3.717 0.017 1 0 "[ ]" 1
196 1 10 DT H3 1 22 DT H3 2.700 . 2.700 2.361 2.361 2.361 . 0 0 "[ ]" 1
197 1 1 DC H1' 1 11 DA H2 4.200 3.700 29.200 7.119 7.119 7.119 . 0 0 "[ ]" 1
198 1 10 DT H1' 1 11 DA C5' 3.700 2.300 5.700 3.707 3.707 3.707 . 0 0 "[ ]" 1
199 1 10 DT H6 1 11 DA H8 4.700 4.700 29.700 5.666 5.666 5.666 . 0 0 "[ ]" 1
200 1 10 DT H3' 1 11 DA H8 4.700 4.200 29.700 4.876 4.876 4.876 . 0 0 "[ ]" 1
201 1 10 DT H2' 1 11 DA H8 3.800 3.800 28.800 3.882 3.882 3.882 . 0 0 "[ ]" 1
202 1 10 DT H2'' 1 11 DA H8 3.700 . 3.700 2.176 2.176 2.176 . 0 0 "[ ]" 1
203 1 10 DT H4' 1 11 DA H8 4.700 3.200 4.700 4.764 4.764 4.764 0.064 1 0 "[ ]" 1
204 1 11 DA H1' 1 11 DA H4' 2.800 . 3.800 3.485 3.485 3.485 . 0 0 "[ ]" 1
205 1 11 DA H3' 1 11 DA H8 4.100 3.500 4.700 3.466 3.466 3.466 0.034 1 0 "[ ]" 1
206 1 11 DA H2' 1 11 DA H8 2.700 2.300 3.100 3.077 3.077 3.077 . 0 0 "[ ]" 1
207 1 11 DA H5' 1 11 DA H8 3.800 3.100 4.500 4.241 4.241 4.241 . 0 0 "[ ]" 1
208 1 11 DA H5'' 1 11 DA H8 3.800 3.100 4.500 3.072 3.072 3.072 0.028 1 0 "[ ]" 1
209 1 11 DA H1' 1 11 DA H8 3.100 2.900 23.100 3.870 3.870 3.870 . 0 0 "[ ]" 1
210 1 11 DA H1' 1 12 DA H5' 4.200 4.200 29.200 6.199 6.199 6.199 . 0 0 "[ ]" 1
211 1 11 DA H1' 1 12 DA H5'' 4.200 4.200 29.200 4.557 4.557 4.557 . 0 0 "[ ]" 1
212 1 11 DA H1' 1 12 DA H8 4.700 4.700 29.700 9.449 9.449 9.449 . 0 0 "[ ]" 1
213 1 11 DA H2' 1 12 DA H8 4.200 4.200 29.200 9.335 9.335 9.335 . 0 0 "[ ]" 1
214 1 11 DA H2'' 1 12 DA H8 4.200 4.200 29.200 8.359 8.359 8.359 . 0 0 "[ ]" 1
215 1 11 DA H3' 1 12 DA H5'' 4.200 4.200 29.200 4.325 4.325 4.325 . 0 0 "[ ]" 1
216 1 11 DA H3' 1 12 DA H5' 4.200 4.200 29.200 5.337 5.337 5.337 . 0 0 "[ ]" 1
217 1 11 DA H3' 1 12 DA H8 4.700 4.700 29.700 7.737 7.737 7.737 . 0 0 "[ ]" 1
218 1 11 DA H4' 1 12 DA H8 4.700 4.700 29.700 6.760 6.760 6.760 . 0 0 "[ ]" 1
219 1 11 DA H5' 1 12 DA H8 4.700 4.700 29.700 7.347 7.347 7.347 . 0 0 "[ ]" 1
220 1 11 DA H5'' 1 12 DA H8 4.700 4.700 29.700 8.197 8.197 8.197 . 0 0 "[ ]" 1
221 1 11 DA H2 1 22 DT H3 4.700 2.700 4.700 2.691 2.691 2.691 0.009 1 0 "[ ]" 1
222 1 11 DA H2 1 22 DT H1' 4.700 4.200 29.700 5.026 5.026 5.026 . 0 0 "[ ]" 1
223 1 11 DA H2 1 22 DT C2' 4.700 2.700 5.700 5.644 5.644 5.644 . 0 0 "[ ]" 1
224 1 10 DT H1' 1 12 DA H1' 4.700 4.700 29.700 10.111 10.111 10.111 . 0 0 "[ ]" 1
225 1 10 DT H4' 1 12 DA H8 4.700 4.700 29.700 10.382 10.382 10.382 . 0 0 "[ ]" 1
226 1 11 DA H1' 1 12 DA H1' 4.700 4.200 29.700 9.021 9.021 9.021 . 0 0 "[ ]" 1
227 1 11 DA H5' 1 12 DA H2' 3.700 3.700 28.700 6.200 6.200 6.200 . 0 0 "[ ]" 1
228 1 11 DA H5'' 1 12 DA H2' 3.700 3.700 28.700 7.619 7.619 7.619 . 0 0 "[ ]" 1
229 1 11 DA H5' 1 12 DA H2'' 3.700 3.700 28.700 6.479 6.479 6.479 . 0 0 "[ ]" 1
230 1 11 DA H5'' 1 12 DA H2'' 3.700 3.700 28.700 7.989 7.989 7.989 . 0 0 "[ ]" 1
231 1 12 DA H1' 1 12 DA H4' 3.500 2.950 4.050 3.108 3.108 3.108 . 0 0 "[ ]" 1
232 1 12 DA H1' 1 12 DA H5' 3.700 3.700 23.700 4.528 4.528 4.528 . 0 0 "[ ]" 1
233 1 12 DA H5'' 1 12 DA H8 3.700 3.700 13.700 4.987 4.987 4.987 . 0 0 "[ ]" 1
234 1 12 DA H2'' 1 12 DA H8 2.800 2.800 22.800 4.508 4.508 4.508 . 0 0 "[ ]" 1
235 1 12 DA H2' 1 12 DA H8 2.800 2.520 3.420 3.223 3.223 3.223 . 0 0 "[ ]" 1
236 1 12 DA H3' 1 12 DA H8 4.000 3.500 4.500 3.469 3.469 3.469 0.031 1 0 "[ ]" 1
237 1 12 DA H5' 1 12 DA H8 3.700 3.700 13.700 3.657 3.657 3.657 0.043 1 0 "[ ]" 1
238 1 12 DA H4' 1 12 DA H8 4.700 4.200 29.700 4.663 4.663 4.663 . 0 0 "[ ]" 1
239 1 12 DA H1' 1 12 DA H8 3.500 3.400 3.900 3.863 3.863 3.863 . 0 0 "[ ]" 1
240 1 12 DA C5' 1 13 DC H6 4.700 3.200 5.700 5.791 5.791 5.791 0.091 1 0 "[ ]" 1
241 1 12 DA H1' 1 13 DC H6 4.700 4.700 29.200 5.507 5.507 5.507 . 0 0 "[ ]" 1
242 1 12 DA H1' 1 13 DC H5 4.700 4.700 29.200 5.205 5.205 5.205 . 0 0 "[ ]" 1
243 1 12 DA H2 1 13 DC H5' 4.700 4.700 29.700 8.524 8.524 8.524 . 0 0 "[ ]" 1
244 1 12 DA H2'' 1 13 DC C5' 3.700 2.300 4.700 3.842 3.842 3.842 . 0 0 "[ ]" 1
245 1 12 DA H2'' 1 13 DC H5 4.700 3.200 4.700 4.783 4.783 4.783 0.083 1 0 "[ ]" 1
246 1 12 DA H2'' 1 13 DC H6 3.700 3.700 28.700 4.070 4.070 4.070 . 0 0 "[ ]" 1
247 1 12 DA H4' 1 13 DC H6 4.700 3.200 4.700 4.194 4.194 4.194 . 0 0 "[ ]" 1
248 1 12 DA H1' 1 22 DT H6 4.700 4.700 29.700 10.972 10.972 10.972 . 0 0 "[ ]" 1
249 1 12 DA H2' 1 22 DT H6 4.700 4.200 29.700 12.605 12.605 12.605 . 0 0 "[ ]" 1
250 1 12 DA H2'' 1 22 DT H6 4.700 4.200 29.700 11.431 11.431 11.431 . 0 0 "[ ]" 1
251 1 12 DA H4' 1 22 DT H6 4.700 4.200 29.700 8.754 8.754 8.754 . 0 0 "[ ]" 1
252 1 9 DC H2' 1 13 DC H1' 2.700 . 2.700 2.838 2.838 2.838 0.138 1 0 "[ ]" 1
253 1 9 DC H1' 1 13 DC H1' 3.700 2.300 3.700 3.139 3.139 3.139 . 0 0 "[ ]" 1
254 1 10 DT H1' 1 13 DC H4' 4.200 4.200 29.200 6.332 6.332 6.332 . 0 0 "[ ]" 1
255 1 12 DA H4' 1 13 DC H5 3.700 3.700 28.700 3.573 3.573 3.573 0.127 1 0 "[ ]" 1
256 1 13 DC H1' 1 13 DC H4' 2.700 2.400 3.300 3.442 3.442 3.442 0.142 1 0 "[ ]" 1
257 1 13 DC H2' 1 13 DC H6 2.500 2.100 2.900 2.748 2.748 2.748 . 0 0 "[ ]" 1
258 1 13 DC H3' 1 13 DC H6 2.700 2.400 3.000 2.909 2.909 2.909 . 0 0 "[ ]" 1
259 1 13 DC H1' 1 13 DC H6 3.200 2.600 3.800 3.736 3.736 3.736 . 0 0 "[ ]" 1
260 1 13 DC H41 1 21 DC H2'' 3.300 3.300 28.300 4.315 4.315 4.315 . 0 0 "[ ]" 1
261 1 13 DC H41 1 21 DC H2' 3.700 2.300 3.700 3.227 3.227 3.227 . 0 0 "[ ]" 1
262 1 13 DC H42 1 21 DC H2' 3.300 3.300 28.300 3.430 3.430 3.430 . 0 0 "[ ]" 1
263 1 13 DC H42 1 21 DC H41 4.200 4.200 29.200 4.805 4.805 4.805 . 0 0 "[ ]" 1
264 1 8 DC H2' 1 14 DC H1' 4.700 3.200 4.700 3.210 3.210 3.210 . 0 0 "[ ]" 1
265 1 14 DC H1' 1 14 DC H4' 2.700 2.200 3.200 3.275 3.275 3.275 0.075 1 0 "[ ]" 1
266 1 14 DC H2' 1 14 DC H6 2.500 2.100 2.900 2.639 2.639 2.639 . 0 0 "[ ]" 1
267 1 14 DC H5' 1 14 DC H6 3.400 2.800 4.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
268 1 14 DC H5'' 1 14 DC H6 3.400 2.800 4.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
269 1 14 DC H3' 1 14 DC H6 3.000 2.500 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 1
270 1 14 DC H4' 1 14 DC H6 4.700 3.800 5.600 4.337 4.337 4.337 . 0 0 "[ ]" 1
271 1 14 DC H1' 1 14 DC H6 3.200 2.700 3.700 3.724 3.724 3.724 0.024 1 0 "[ ]" 1
272 1 14 DC H41 1 20 DC H3 4.200 4.200 29.200 4.143 4.143 4.143 0.057 1 0 "[ ]" 1
273 1 14 DC H41 1 20 DC H2' 3.700 2.300 3.700 3.395 3.395 3.395 . 0 0 "[ ]" 1
274 1 14 DC H42 1 20 DC H2' . 3.500 28.200 3.963 3.963 3.963 . 0 0 "[ ]" 1
275 1 7 5CM H2' 1 15 DC H1' 2.800 2.800 27.800 3.341 3.341 3.341 . 0 0 "[ ]" 1
276 1 7 5CM H2'' 1 15 DC H1' 2.700 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1
277 1 8 DC H4' 1 15 DC H1' 4.700 4.700 29.700 4.700 4.700 4.700 . 0 0 "[ ]" 1
278 1 15 DC H1' 1 15 DC H4' 2.700 2.400 3.000 3.156 3.156 3.156 0.156 1 0 "[ ]" 1
279 1 15 DC H3' 1 15 DC H6 3.400 2.900 3.900 2.965 2.965 2.965 . 0 0 "[ ]" 1
280 1 15 DC H1' 1 15 DC H6 3.200 2.800 3.600 3.708 3.708 3.708 0.108 1 0 "[ ]" 1
281 1 15 DC H4' 1 15 DC H6 4.200 3.500 4.900 4.485 4.485 4.485 . 0 0 "[ ]" 1
282 1 15 DC H2' 1 15 DC H6 2.500 2.100 2.900 2.244 2.244 2.244 . 0 0 "[ ]" 1
283 1 15 DC C5' 1 15 DC H6 3.200 2.700 4.700 3.699 3.699 3.699 . 0 0 "[ ]" 1
284 1 15 DC H2'' 1 16 DU H2'' 4.700 3.000 6.700 6.308 6.308 6.308 . 0 0 "[ ]" 1
285 1 15 DC H41 1 19 DC H3' 3.400 3.400 28.400 5.052 5.052 5.052 . 0 0 "[ ]" 1
286 1 15 DC H41 1 19 DC H2'' 3.200 3.200 28.200 3.684 3.684 3.684 . 0 0 "[ ]" 1
287 1 15 DC H41 1 19 DC H2' 3.200 3.200 28.200 2.894 2.894 2.894 0.306 1 0 "[ ]" 1
288 1 15 DC H42 1 19 DC H3' 3.700 2.300 3.700 3.957 3.957 3.957 0.257 1 0 "[ ]" 1
289 1 15 DC H42 1 19 DC H2' 3.700 2.300 3.700 2.216 2.216 2.216 0.084 1 0 "[ ]" 1
290 1 15 DC H42 1 19 DC H2'' 3.200 3.200 28.200 3.741 3.741 3.741 . 0 0 "[ ]" 1
291 1 15 DC H41 1 20 DC H42 4.000 4.000 29.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
292 1 15 DC H41 1 20 DC H3 3.700 2.300 4.200 3.100 3.100 3.100 . 0 0 "[ ]" 1
293 1 15 DC H41 1 20 DC H41 4.200 4.200 29.200 4.214 4.214 4.214 . 0 0 "[ ]" 1
294 1 15 DC H42 1 20 DC H42 4.200 4.200 29.200 4.143 4.143 4.143 0.057 1 0 "[ ]" 1
295 1 15 DC H42 1 20 DC H41 4.200 4.200 29.200 4.277 4.277 4.277 . 0 0 "[ ]" 1
296 1 5 DA O3' 1 16 DU H3 4.000 2.800 4.000 4.086 4.086 4.086 0.086 1 0 "[ ]" 1
297 1 5 DA H8 1 16 DU H3 3.700 . 5.700 3.542 3.542 3.542 . 0 0 "[ ]" 1
298 1 5 DA H1' 1 16 DU H3 4.700 3.000 6.700 4.425 4.425 4.425 . 0 0 "[ ]" 1
299 1 5 DA H2' 1 16 DU H3 3.400 2.990 5.400 2.950 2.950 2.950 0.040 1 0 "[ ]" 1
300 1 6 DA H1' 1 16 DU H6 4.700 4.140 29.700 5.075 5.075 5.075 . 0 0 "[ ]" 1
301 1 7 5CM H1' 1 16 DU H6 3.700 . 5.700 4.322 4.322 4.322 . 0 0 "[ ]" 1
302 1 7 5CM H4' 1 16 DU H6 4.700 3.000 6.700 5.950 5.950 5.950 . 0 0 "[ ]" 1
303 1 7 5CM H6 1 16 DU H6 4.700 4.140 29.700 6.957 6.957 6.957 . 0 0 "[ ]" 1
304 1 15 DC H2'' 1 16 DU H2' 3.700 . 5.700 4.544 4.544 4.544 . 0 0 "[ ]" 1
305 1 15 DC H3' 1 16 DU H2' 3.700 . 5.700 4.307 4.307 4.307 . 0 0 "[ ]" 1
306 1 15 DC H6 1 16 DU H2' 4.700 3.000 6.700 5.700 5.700 5.700 . 0 0 "[ ]" 1
307 1 15 DC H2' 1 16 DU H2' 3.100 2.730 28.100 4.104 4.104 4.104 . 0 0 "[ ]" 1
308 1 15 DC H2'' 1 16 DU H3 4.200 3.700 29.200 5.762 5.762 5.762 . 0 0 "[ ]" 1
309 1 15 DC H2' 1 16 DU H3 4.200 3.700 29.200 5.569 5.569 5.569 . 0 0 "[ ]" 1
310 1 15 DC H2'' 1 16 DU H3' 3.700 . 5.700 5.344 5.344 5.344 . 0 0 "[ ]" 1
311 1 15 DC H2' 1 16 DU H6 4.700 4.140 29.700 4.755 4.755 4.755 . 0 0 "[ ]" 1
312 1 15 DC H2'' 1 16 DU H6 3.700 . 5.700 3.808 3.808 3.808 . 0 0 "[ ]" 1
313 1 16 DU H1' 1 16 DU H4' 3.300 2.550 5.430 3.419 3.419 3.419 . 0 0 "[ ]" 1
314 1 16 DU H1' 1 16 DU H3 4.700 3.640 7.080 4.611 4.611 4.611 . 0 0 "[ ]" 1
315 1 16 DU H2' 1 16 DU H3 4.700 3.640 7.080 4.675 4.675 4.675 . 0 0 "[ ]" 1
316 1 16 DU H2' 1 16 DU H6 2.900 2.240 4.950 3.469 3.469 3.469 . 0 0 "[ ]" 1
317 1 16 DU H1' 1 16 DU H6 3.200 2.480 5.300 3.567 3.567 3.567 . 0 0 "[ ]" 1
318 1 16 DU H4' 1 16 DU H6 3.700 2.860 5.900 4.140 4.140 4.140 . 0 0 "[ ]" 1
319 1 16 DU H3' 1 16 DU H6 4.700 3.640 7.080 4.254 4.254 4.254 . 0 0 "[ ]" 1
320 1 16 DU H1' 1 17 DA H8 4.200 3.700 5.700 3.541 3.541 3.541 0.159 1 0 "[ ]" 1
321 1 16 DU H3 1 17 DA H2'' 3.700 . 5.700 5.797 5.797 5.797 0.097 1 0 "[ ]" 1
322 1 16 DU H3 1 17 DA H2 4.700 4.100 29.700 4.166 4.166 4.166 . 0 0 "[ ]" 1
323 1 16 DU H3 1 19 DC H5 4.700 3.000 6.700 5.723 5.723 5.723 . 0 0 "[ ]" 1
324 1 5 DA H8 1 17 DA H2 4.700 4.100 29.700 4.105 4.105 4.105 . 0 0 "[ ]" 1
325 1 6 DA H1' 1 17 DA H1' 4.700 4.100 29.700 11.741 11.741 11.741 . 0 0 "[ ]" 1
326 1 16 DU H3' 1 17 DA C5' 3.700 . 6.700 4.830 4.830 4.830 . 0 0 "[ ]" 1
327 1 16 DU H2' 1 17 DA C5' 4.700 3.000 7.700 4.759 4.759 4.759 . 0 0 "[ ]" 1
328 1 16 DU H2'' 1 17 DA C5' 4.700 3.000 5.700 3.009 3.009 3.009 . 0 0 "[ ]" 1
329 1 16 DU H2' 1 17 DA H1' 4.700 4.700 29.700 6.830 6.830 6.830 . 0 0 "[ ]" 1
330 1 16 DU H3 1 17 DA H1' 4.200 3.700 29.200 6.674 6.674 6.674 . 0 0 "[ ]" 1
331 1 16 DU H1' 1 17 DA H3' 4.700 3.000 6.700 4.039 4.039 4.039 . 0 0 "[ ]" 1
332 1 16 DU H2' 1 17 DA H3' 4.700 3.000 6.700 3.735 3.735 3.735 . 0 0 "[ ]" 1
333 1 16 DU H2' 1 17 DA H4' 4.700 4.700 29.700 6.282 6.282 6.282 . 0 0 "[ ]" 1
334 1 16 DU H1' 1 17 DA H4' 4.700 4.700 29.700 5.565 5.565 5.565 . 0 0 "[ ]" 1
335 1 16 DU H3 1 17 DA H4' 4.200 4.200 29.200 8.378 8.378 8.378 . 0 0 "[ ]" 1
336 1 16 DU H4' 1 17 DA H8 4.700 4.140 29.700 5.926 5.926 5.926 . 0 0 "[ ]" 1
337 1 16 DU H2' 1 17 DA H8 4.700 4.140 29.700 6.057 6.057 6.057 . 0 0 "[ ]" 1
338 1 16 DU H3 1 17 DA H8 4.700 3.000 6.700 6.421 6.421 6.421 . 0 0 "[ ]" 1
339 1 16 DU H5 1 17 DA H8 4.700 4.140 29.700 8.389 8.389 8.389 . 0 0 "[ ]" 1
340 1 16 DU H2'' 1 17 DA H8 4.700 3.000 6.700 4.605 4.605 4.605 . 0 0 "[ ]" 1
341 1 16 DU H3' 1 17 DA H8 4.700 4.700 29.700 6.945 6.945 6.945 . 0 0 "[ ]" 1
342 1 16 DU H6 1 17 DA H8 4.700 4.140 29.700 6.949 6.949 6.949 . 0 0 "[ ]" 1
343 1 17 DA H1' 1 17 DA H4' 2.600 2.010 3.590 3.516 3.516 3.516 . 0 0 "[ ]" 1
344 1 17 DA H3' 1 17 DA H5' 3.000 2.400 28.000 2.364 2.364 2.364 0.036 1 0 "[ ]" 1
345 1 17 DA H3' 1 17 DA H5'' 3.000 2.400 28.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
346 1 17 DA H1' 1 17 DA H8 3.000 2.320 4.070 3.579 3.579 3.579 . 0 0 "[ ]" 1
347 1 17 DA H5' 1 17 DA H8 3.300 2.550 4.430 3.224 3.224 3.224 . 0 0 "[ ]" 1
348 1 17 DA H4' 1 17 DA H8 4.200 3.250 5.490 4.382 4.382 4.382 . 0 0 "[ ]" 1
349 1 17 DA H3' 1 17 DA H8 3.500 2.710 4.660 4.714 4.714 4.714 0.054 1 0 "[ ]" 1
350 1 17 DA H5'' 1 17 DA H8 2.800 2.170 3.820 3.310 3.310 3.310 . 0 0 "[ ]" 1
351 1 17 DA H1' 1 18 DA H1' 4.700 4.700 29.700 5.690 5.690 5.690 . 0 0 "[ ]" 1
352 1 17 DA H1' 1 18 DA H2 4.200 4.200 29.200 9.367 9.367 9.367 . 0 0 "[ ]" 1
353 1 17 DA H1' 1 18 DA H8 4.700 4.700 29.700 4.691 4.691 4.691 0.009 1 0 "[ ]" 1
354 1 17 DA H2 1 18 DA H3' 4.700 3.640 29.700 7.234 7.234 7.234 . 0 0 "[ ]" 1
355 1 17 DA H2 1 18 DA H4' 4.700 4.100 29.700 5.828 5.828 5.828 . 0 0 "[ ]" 1
356 1 17 DA H2' 1 18 DA H1' 4.200 4.200 29.200 4.251 4.251 4.251 . 0 0 "[ ]" 1
357 1 17 DA H2' 1 18 DA H2 3.700 3.700 28.700 7.122 7.122 7.122 . 0 0 "[ ]" 1
358 1 17 DA H2'' 1 18 DA H5' 4.200 3.700 29.200 4.638 4.638 4.638 . 0 0 "[ ]" 1
359 1 17 DA H2'' 1 18 DA H1' 4.700 4.140 29.700 4.068 4.068 4.068 0.072 1 0 "[ ]" 1
360 1 17 DA H3' 1 18 DA H1' 4.200 4.200 29.200 5.841 5.841 5.841 . 0 0 "[ ]" 1
361 1 17 DA H3' 1 18 DA H2 4.200 4.200 29.200 6.679 6.679 6.679 . 0 0 "[ ]" 1
362 1 17 DA H5'' 1 18 DA H2 4.200 4.200 29.200 10.111 10.111 10.111 . 0 0 "[ ]" 1
363 1 17 DA H8 1 18 DA H2 4.200 3.700 29.200 10.919 10.919 10.919 . 0 0 "[ ]" 1
364 1 17 DA H1' 1 19 DC H41 4.200 3.700 29.200 9.150 9.150 9.150 . 0 0 "[ ]" 1
365 1 17 DA H1' 1 19 DC H42 4.200 3.700 29.200 8.335 8.335 8.335 . 0 0 "[ ]" 1
366 1 17 DA H1' 1 19 DC H5 4.700 4.140 29.700 8.898 8.898 8.898 . 0 0 "[ ]" 1
367 1 17 DA H2 1 19 DC H6 4.700 3.640 29.700 7.815 7.815 7.815 . 0 0 "[ ]" 1
368 1 17 DA H2 1 19 DC H5 4.700 3.640 29.700 7.242 7.242 7.242 . 0 0 "[ ]" 1
369 1 17 DA H2' 1 19 DC H5 4.700 4.100 29.700 6.493 6.493 6.493 . 0 0 "[ ]" 1
370 1 5 DA H2' 1 18 DA H2 4.200 3.200 29.200 8.700 8.700 8.700 . 0 0 "[ ]" 1
371 1 5 DA H2'' 1 18 DA H2 4.200 3.200 29.200 9.505 9.505 9.505 . 0 0 "[ ]" 1
372 1 5 DA H8 1 18 DA H8 4.700 4.140 29.700 4.023 4.023 4.023 0.117 1 0 "[ ]" 1
373 1 5 DA H2 1 18 DA H8 4.700 4.100 29.700 8.263 8.263 8.263 . 0 0 "[ ]" 1
374 1 16 DU H3 1 18 DA H1' 4.200 4.200 29.200 4.358 4.358 4.358 . 0 0 "[ ]" 1
375 1 16 DU H6 1 18 DA H2 4.700 4.700 29.700 9.347 9.347 9.347 . 0 0 "[ ]" 1
376 1 16 DU H2'' 1 18 DA H2 4.200 4.200 29.200 7.115 7.115 7.115 . 0 0 "[ ]" 1
377 1 17 DA H2 1 18 DA H1' 4.700 2.500 6.700 3.371 3.371 3.371 . 0 0 "[ ]" 1
378 1 17 DA H2 1 18 DA H2 4.200 4.200 29.200 9.250 9.250 9.250 . 0 0 "[ ]" 1
379 1 17 DA H5' 1 18 DA H8 4.700 4.700 29.700 5.093 5.093 5.093 . 0 0 "[ ]" 1
380 1 17 DA H4' 1 18 DA H8 4.700 4.700 29.700 6.255 6.255 6.255 . 0 0 "[ ]" 1
381 1 17 DA H2'' 1 18 DA H8 3.700 . 5.700 3.283 3.283 3.283 . 0 0 "[ ]" 1
382 1 17 DA H5'' 1 18 DA H8 4.700 4.700 29.700 6.624 6.624 6.624 . 0 0 "[ ]" 1
383 1 17 DA H3' 1 18 DA H8 4.700 4.140 29.700 4.054 4.054 4.054 0.086 1 0 "[ ]" 1
384 1 17 DA H2 1 18 DA H8 4.700 2.500 6.700 3.678 3.678 3.678 . 0 0 "[ ]" 1
385 1 17 DA H8 1 18 DA H8 4.700 4.140 29.700 5.562 5.562 5.562 . 0 0 "[ ]" 1
386 1 18 DA H4' 1 18 DA H8 4.700 3.640 7.080 5.482 5.482 5.482 . 0 0 "[ ]" 1
387 1 18 DA H3' 1 18 DA H8 3.500 2.710 5.660 5.702 5.702 5.702 0.042 1 0 "[ ]" 1
388 1 18 DA H5'' 1 18 DA H8 4.700 3.640 29.700 5.334 5.334 5.334 . 0 0 "[ ]" 1
389 1 18 DA H5' 1 18 DA H8 4.700 3.640 29.700 6.383 6.383 6.383 . 0 0 "[ ]" 1
390 1 18 DA H1' 1 19 DC H41 4.200 4.200 29.200 5.246 5.246 5.246 . 0 0 "[ ]" 1
391 1 18 DA H2' 1 19 DC H6 2.400 2.400 27.400 2.600 2.600 2.600 . 0 0 "[ ]" 1
392 1 18 DA H2'' 1 19 DC H6 2.400 2.400 27.400 3.043 3.043 3.043 . 0 0 "[ ]" 1
393 1 18 DA H2'' 1 19 DC H3' 4.700 4.700 29.700 5.104 5.104 5.104 . 0 0 "[ ]" 1
394 1 18 DA H5' 1 19 DC H6 4.200 3.700 29.200 6.864 6.864 6.864 . 0 0 "[ ]" 1
395 1 18 DA H5' 1 19 DC H5 4.700 4.100 29.700 6.446 6.446 6.446 . 0 0 "[ ]" 1
396 1 18 DA H5'' 1 19 DC H5 4.700 4.100 29.700 4.938 4.938 4.938 . 0 0 "[ ]" 1
397 1 18 DA H5'' 1 19 DC H42 4.200 3.600 29.200 6.184 6.184 6.184 . 0 0 "[ ]" 1
398 1 18 DA H8 1 19 DC H5'' 4.700 4.700 29.700 9.341 9.341 9.341 . 0 0 "[ ]" 1
399 1 3 DC H2' 1 19 DC H1' 4.700 3.200 4.700 4.291 4.291 4.291 . 0 0 "[ ]" 1
400 1 4 DT H1' 1 19 DC H1' 4.700 4.090 29.700 6.061 6.061 6.061 . 0 0 "[ ]" 1
401 1 4 DT H2' 1 19 DC H1' 4.700 2.590 5.200 3.369 3.369 3.369 . 0 0 "[ ]" 1
402 1 4 DT H6 1 19 DC H1' 4.700 4.090 29.700 3.893 3.893 3.893 0.197 1 0 "[ ]" 1
403 1 4 DT H2'' 1 19 DC H1' 3.700 3.220 28.700 4.725 4.725 4.725 . 0 0 "[ ]" 1
404 1 5 DA H8 1 19 DC H1' 4.700 3.000 5.700 4.604 4.604 4.604 . 0 0 "[ ]" 1
405 1 5 DA H8 1 19 DC H3 2.700 . 4.200 3.044 3.044 3.044 . 0 0 "[ ]" 1
406 1 15 DC H2' 1 19 DC H42 3.700 2.300 3.700 2.834 2.834 2.834 . 0 0 "[ ]" 1
407 1 15 DC H2'' 1 19 DC H42 3.300 3.300 28.300 4.136 4.136 4.136 . 0 0 "[ ]" 1
408 1 15 DC H5 1 19 DC H5 3.700 2.300 3.700 2.800 2.800 2.800 . 0 0 "[ ]" 1
409 1 18 DA H3' 1 19 DC H3' 4.700 4.100 29.700 5.751 5.751 5.751 . 0 0 "[ ]" 1
410 1 18 DA H1' 1 19 DC H42 4.700 4.700 29.700 4.578 4.578 4.578 0.122 1 0 "[ ]" 1
411 1 18 DA H2 1 19 DC H5 4.700 2.500 6.700 3.072 3.072 3.072 . 0 0 "[ ]" 1
412 1 18 DA H3' 1 19 DC H5 2.700 . 4.700 3.996 3.996 3.996 . 0 0 "[ ]" 1
413 1 18 DA H8 1 19 DC H6 4.700 3.000 6.700 6.491 6.491 6.491 . 0 0 "[ ]" 1
414 1 18 DA C2' 1 19 DC H6 3.700 . 5.700 3.275 3.275 3.275 . 0 0 "[ ]" 1
415 1 18 DA H3' 1 19 DC H6 2.700 . 4.700 4.046 4.046 4.046 . 0 0 "[ ]" 1
416 1 18 DA H1' 1 19 DC H6 4.700 4.140 29.700 4.792 4.792 4.792 . 0 0 "[ ]" 1
417 1 19 DC H2' 1 19 DC H6 2.900 2.500 3.300 2.754 2.754 2.754 . 0 0 "[ ]" 1
418 1 19 DC H3' 1 19 DC H6 2.500 2.200 2.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
419 1 2 DC H3 1 20 DC H41 3.700 2.300 4.200 4.060 4.060 4.060 . 0 0 "[ ]" 1
420 1 3 DC H4' 1 20 DC H1' 3.700 2.300 3.700 3.707 3.707 3.707 0.007 1 0 "[ ]" 1
421 1 8 DC H41 1 20 DC H1' 4.700 3.200 4.700 3.802 3.802 3.802 . 0 0 "[ ]" 1
422 1 14 DC H2' 1 20 DC H41 3.400 3.400 28.400 3.389 3.389 3.389 0.011 1 0 "[ ]" 1
423 1 14 DC H2'' 1 20 DC H41 3.400 3.400 28.400 4.310 4.310 4.310 . 0 0 "[ ]" 1
424 1 14 DC H2'' 1 20 DC H42 3.200 3.200 28.200 5.064 5.064 5.064 . 0 0 "[ ]" 1
425 1 14 DC H2' 1 20 DC H42 3.700 2.300 3.700 3.602 3.602 3.602 . 0 0 "[ ]" 1
426 1 19 DC H2' 1 20 DC H6 3.700 2.300 3.700 3.784 3.784 3.784 0.084 1 0 "[ ]" 1
427 1 20 DC H1' 1 20 DC H4' 3.000 2.500 3.500 3.339 3.339 3.339 . 0 0 "[ ]" 1
428 1 20 DC H5'' 1 20 DC H6 3.600 2.900 4.300 3.373 3.373 3.373 . 0 0 "[ ]" 1
429 1 20 DC H4' 1 20 DC H6 3.800 3.100 4.500 4.167 4.167 4.167 . 0 0 "[ ]" 1
430 1 20 DC H3' 1 20 DC H6 2.400 2.100 2.700 2.806 2.806 2.806 0.106 1 0 "[ ]" 1
431 1 20 DC H1' 1 20 DC H6 3.200 2.700 3.700 3.714 3.714 3.714 0.014 1 0 "[ ]" 1
432 1 20 DC H5' 1 20 DC H6 3.600 2.900 4.300 4.160 4.160 4.160 . 0 0 "[ ]" 1
433 1 1 DC H2' 1 21 DC H1' 3.700 2.300 3.700 3.024 3.024 3.024 . 0 0 "[ ]" 1
434 1 2 DC H4' 1 21 DC H1' 4.200 2.700 4.200 4.119 4.119 4.119 . 0 0 "[ ]" 1
435 1 9 DC H41 1 21 DC H1' 4.700 3.200 4.700 3.765 3.765 3.765 . 0 0 "[ ]" 1
436 1 13 DC H2' 1 21 DC H41 3.700 2.300 3.700 2.325 2.325 2.325 . 0 0 "[ ]" 1
437 1 13 DC H2' 1 21 DC H42 3.700 2.300 3.700 2.962 2.962 2.962 . 0 0 "[ ]" 1
438 1 13 DC H2'' 1 21 DC H42 4.700 3.200 4.700 4.701 4.701 4.701 0.001 1 0 "[ ]" 1
439 1 21 DC H1' 1 21 DC H4' 2.600 2.150 3.050 3.224 3.224 3.224 0.174 1 0 "[ ]" 1
440 1 21 DC H1' 1 21 DC H6 3.200 2.700 3.700 3.701 3.701 3.701 0.001 1 0 "[ ]" 1
441 1 21 DC H3' 1 21 DC H6 2.600 2.300 2.900 2.911 2.911 2.911 0.011 1 0 "[ ]" 1
442 1 21 DC C5' 1 21 DC H6 3.100 2.600 4.800 3.273 3.273 3.273 . 0 0 "[ ]" 1
443 1 21 DC H4' 1 21 DC H6 3.500 2.900 4.100 4.218 4.218 4.218 0.118 1 0 "[ ]" 1
444 1 21 DC H2' 1 21 DC H6 2.500 2.100 2.900 2.690 2.690 2.690 . 0 0 "[ ]" 1
445 1 1 DC H4' 1 22 DT H1' 3.700 2.300 3.700 3.640 3.640 3.640 . 0 0 "[ ]" 1
446 1 1 DC H1' 1 22 DT H1' 4.700 3.200 4.700 3.241 3.241 3.241 . 0 0 "[ ]" 1
447 1 21 DC H2'' 1 22 DT H6 4.700 3.200 4.700 3.928 3.928 3.928 . 0 0 "[ ]" 1
448 1 22 DT H1' 1 22 DT H4' 2.700 2.400 3.000 3.119 3.119 3.119 0.119 1 0 "[ ]" 1
449 1 22 DT H2' 1 22 DT H6 2.500 2.100 2.900 2.700 2.700 2.700 . 0 0 "[ ]" 1
450 1 22 DT H3' 1 22 DT H6 2.900 2.580 3.220 3.241 3.241 3.241 0.021 1 0 "[ ]" 1
451 1 22 DT H5'' 1 22 DT H6 3.600 3.600 23.600 4.238 4.238 4.238 . 0 0 "[ ]" 1
452 1 22 DT H5' 1 22 DT H6 3.600 3.600 23.600 4.223 4.223 4.223 . 0 0 "[ ]" 1
453 1 22 DT H1' 1 22 DT H6 3.500 3.000 4.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
454 1 22 DT H4' 1 22 DT H6 3.600 3.600 23.600 4.373 4.373 4.373 . 0 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 9
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.250
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0278
_Distance_constraint_stats_list.Viol_average_violations_only 0.1252
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 DA 0.000 0.000 . 0 "[ ]"
1 7 5CM 0.000 0.000 . 0 "[ ]"
1 16 DU 0.250 0.176 1 0 "[ ]"
1 17 DA 0.074 0.074 1 0 "[ ]"
1 18 DA 0.000 0.000 . 0 "[ ]"
1 19 DC 0.176 0.176 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 16 DU H3 1 18 DA H2 4.200 4.200 24.200 7.960 7.960 7.960 . 0 0 "[ ]" 2
2 1 16 DU H3 1 18 DA H8 3.700 2.200 3.700 2.663 2.663 2.663 . 0 0 "[ ]" 2
3 1 16 DU H3 1 19 DC H41 3.700 2.200 3.700 3.395 3.395 3.395 . 0 0 "[ ]" 2
4 1 16 DU H3 1 19 DC H42 3.700 2.200 3.700 3.876 3.876 3.876 0.176 1 0 "[ ]" 2
5 1 18 DA H1' 1 18 DA H8 2.900 2.400 2.900 2.721 2.721 2.721 . 0 0 "[ ]" 2
6 1 5 DA H2'' 1 16 DU H3 3.700 2.100 3.700 2.369 2.369 2.369 . 0 0 "[ ]" 2
7 1 7 5CM H1' 1 16 DU H5 3.700 2.300 3.700 2.533 2.533 2.533 . 0 0 "[ ]" 2
8 1 18 DA H8 1 19 DC H42 3.700 . 4.700 3.814 3.814 3.814 . 0 0 "[ ]" 2
9 1 16 DU H1' 1 17 DA C5' 2.700 . 3.700 3.774 3.774 3.774 0.074 1 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.250
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0254
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0156
_Distance_constraint_stats_list.Viol_average_violations_only 0.0312
_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 1 DC 0.000 0.000 . 0 "[ ]"
1 2 DC 0.025 0.020 1 0 "[ ]"
1 3 DC 0.055 0.055 1 0 "[ ]"
1 7 5CM 0.137 0.068 1 0 "[ ]"
1 8 DC 0.026 0.019 1 0 "[ ]"
1 9 DC 0.007 0.007 1 0 "[ ]"
1 13 DC 0.000 0.000 . 0 "[ ]"
1 14 DC 0.025 0.020 1 0 "[ ]"
1 15 DC 0.055 0.055 1 0 "[ ]"
1 19 DC 0.137 0.068 1 0 "[ ]"
1 20 DC 0.026 0.019 1 0 "[ ]"
1 21 DC 0.007 0.007 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 1 DC N3 1 13 DC N3 2.760 2.660 2.860 2.765 2.765 2.765 . 0 0 "[ ]" 3
2 1 1 DC H41 1 13 DC O2 1.740 . 1.840 1.775 1.775 1.775 . 0 0 "[ ]" 3
3 1 9 DC N3 1 21 DC N3 2.760 2.660 2.860 2.793 2.793 2.793 . 0 0 "[ ]" 3
4 1 9 DC O2 1 21 DC H41 1.740 . 1.840 1.847 1.847 1.847 0.007 1 0 "[ ]" 3
5 1 9 DC H41 1 21 DC O2 1.740 . 1.840 1.825 1.825 1.825 . 0 0 "[ ]" 3
6 1 2 DC N3 1 14 DC N3 2.760 2.660 2.860 2.785 2.785 2.785 . 0 0 "[ ]" 3
7 1 2 DC O2 1 14 DC H41 1.740 . 1.840 1.860 1.860 1.860 0.020 1 0 "[ ]" 3
8 1 2 DC H41 1 14 DC O2 1.740 . 1.840 1.845 1.845 1.845 0.005 1 0 "[ ]" 3
9 1 8 DC N3 1 20 DC N3 2.760 2.660 2.860 2.764 2.764 2.764 . 0 0 "[ ]" 3
10 1 8 DC O2 1 20 DC H41 1.740 . 1.840 1.859 1.859 1.859 0.019 1 0 "[ ]" 3
11 1 8 DC H41 1 20 DC O2 1.740 . 1.840 1.633 1.633 1.633 0.007 1 0 "[ ]" 3
12 1 3 DC N3 1 15 DC N3 2.760 2.660 2.860 2.756 2.756 2.756 . 0 0 "[ ]" 3
13 1 3 DC O2 1 15 DC H41 1.740 . 1.840 1.696 1.696 1.696 . 0 0 "[ ]" 3
14 1 3 DC H41 1 15 DC O2 1.740 . 1.840 1.895 1.895 1.895 0.055 1 0 "[ ]" 3
15 1 7 5CM N3 1 19 DC N3 2.760 2.660 2.860 2.592 2.592 2.592 0.068 1 0 "[ ]" 3
16 1 7 5CM O2 1 19 DC H41 1.740 . 1.840 1.908 1.908 1.908 0.068 1 0 "[ ]" 3
stop_
save_
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