NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645192 |
6k3x   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6k3x
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 487
_Distance_constraint_stats_list.Viol_count 365
_Distance_constraint_stats_list.Viol_total 324.246
_Distance_constraint_stats_list.Viol_max 0.631
_Distance_constraint_stats_list.Viol_rms 0.0352
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0888
_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 DT 6.305 0.201 1 0 "[ . 1]"
1 2 DT 6.114 0.165 7 0 "[ . 1]"
1 3 DG 9.133 0.631 10 6 "[****- +]"
1 4 DG 6.627 0.631 10 6 "[****- +]"
1 5 DT 0.603 0.148 9 0 "[ . 1]"
1 6 DG 1.275 0.210 7 0 "[ . 1]"
1 7 DG 3.138 0.368 5 0 "[ . 1]"
1 8 DG 3.005 0.368 5 0 "[ . 1]"
1 9 DT 0.741 0.152 5 0 "[ . 1]"
1 10 DG 0.785 0.216 7 0 "[ . 1]"
1 11 DG 0.460 0.081 7 0 "[ . 1]"
1 12 DG 0.195 0.096 3 0 "[ . 1]"
1 13 DT 0.000 0.000 . 0 "[ . 1]"
1 14 DG 3.433 0.393 1 0 "[ . 1]"
1 15 DG 3.503 0.393 1 0 "[ . 1]"
1 16 DG 1.662 0.107 4 0 "[ . 1]"
1 17 DT 1.886 0.112 7 0 "[ . 1]"
2 1 DA 1.110 0.215 4 0 "[ . 1]"
2 2 DG 1.488 0.142 2 0 "[ . 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 1 1 DT C7 1 6 DG H1 6.000 4.300 7.700 5.765 5.595 6.026 . 0 0 "[ . 1]" 1
2 1 1 DT H1' 1 3 DG H1 4.800 3.400 6.200 6.272 6.251 6.303 0.103 8 0 "[ . 1]" 1
3 1 1 DT H1' 1 14 DG H1 4.800 3.400 6.200 6.224 6.139 6.272 0.072 4 0 "[ . 1]" 1
4 1 1 DT H2' 1 3 DG H1 4.800 3.400 6.200 3.365 3.320 3.383 0.080 9 0 "[ . 1]" 1
5 1 1 DT H2'' 1 3 DG H1 4.800 3.400 6.200 4.146 4.040 4.228 . 0 0 "[ . 1]" 1
6 1 1 DT H4' 1 3 DG H1 5.500 3.800 7.200 6.481 6.259 6.588 . 0 0 "[ . 1]" 1
7 1 1 DT H4' 1 14 DG H1 5.500 3.800 7.200 4.740 4.586 4.852 . 0 0 "[ . 1]" 1
8 1 2 DT C7 1 3 DG H1 6.000 4.300 7.700 7.785 7.754 7.807 0.107 2 0 "[ . 1]" 1
9 1 2 DT C7 1 10 DG H1 6.000 4.300 7.700 6.674 6.490 6.805 . 0 0 "[ . 1]" 1
10 1 2 DT C7 1 14 DG H1 6.000 4.300 7.700 4.451 4.407 4.509 . 0 0 "[ . 1]" 1
11 1 2 DT H1' 1 14 DG H1 4.800 3.400 6.200 6.158 6.060 6.219 0.019 9 0 "[ . 1]" 1
12 1 2 DT H6 1 14 DG H1 5.500 3.800 7.200 4.500 4.441 4.569 . 0 0 "[ . 1]" 1
13 1 3 DG H2' 1 15 DG H1 5.500 3.800 7.200 6.194 5.911 6.548 . 0 0 "[ . 1]" 1
14 1 3 DG H8 1 14 DG H1 4.800 3.400 6.200 5.103 4.875 5.243 . 0 0 "[ . 1]" 1
15 1 3 DG H8 1 15 DG H1 5.500 3.800 7.200 5.310 5.102 5.601 . 0 0 "[ . 1]" 1
16 1 3 DG H1 1 4 DG H1 4.000 2.800 5.200 3.867 3.790 4.042 . 0 0 "[ . 1]" 1
17 1 4 DG H8 1 15 DG H1 4.800 3.400 6.200 4.828 4.497 5.288 . 0 0 "[ . 1]" 1
18 1 4 DG H8 1 16 DG H1 5.500 3.800 7.200 5.527 4.806 6.718 . 0 0 "[ . 1]" 1
19 1 4 DG H1 1 6 DG H2' 4.800 3.400 6.200 5.777 5.610 6.011 . 0 0 "[ . 1]" 1
20 1 3 DG H1 1 6 DG H8 4.800 3.400 6.200 5.461 5.226 5.584 . 0 0 "[ . 1]" 1
21 1 4 DG H1 1 6 DG H8 5.500 3.800 7.200 5.456 5.235 5.885 . 0 0 "[ . 1]" 1
22 1 6 DG H1 1 7 DG H1 4.000 2.800 5.200 3.885 3.762 4.090 . 0 0 "[ . 1]" 1
23 1 7 DG H2'' 2 2 DG H1 5.500 3.800 7.200 6.375 5.976 6.863 . 0 0 "[ . 1]" 1
24 1 4 DG H1 1 7 DG H8 4.800 3.400 6.200 4.747 4.549 5.011 . 0 0 "[ . 1]" 1
25 1 7 DG H1 1 8 DG H1 4.000 2.800 5.200 4.117 3.952 4.472 . 0 0 "[ . 1]" 1
26 1 8 DG H8 2 2 DG H1 4.800 3.400 6.200 4.356 4.104 4.989 . 0 0 "[ . 1]" 1
27 1 7 DG H1 1 10 DG H2' 4.800 3.400 6.200 5.423 5.254 5.730 . 0 0 "[ . 1]" 1
28 1 6 DG H1 1 10 DG H8 4.800 3.400 6.200 4.860 4.599 5.286 . 0 0 "[ . 1]" 1
29 1 7 DG H1 1 10 DG H8 5.500 3.800 7.200 5.243 5.058 5.567 . 0 0 "[ . 1]" 1
30 1 10 DG H1 1 11 DG H1 4.000 2.800 5.200 3.823 3.575 4.082 . 0 0 "[ . 1]" 1
31 1 8 DG H1 1 11 DG H2' 4.800 3.400 6.200 5.925 5.465 6.274 0.074 7 0 "[ . 1]" 1
32 1 7 DG H1 1 11 DG H8 4.800 3.400 6.200 4.687 4.437 4.956 . 0 0 "[ . 1]" 1
33 1 11 DG H1 1 12 DG H1 4.000 2.800 5.200 4.070 3.851 4.284 . 0 0 "[ . 1]" 1
34 1 8 DG H1 1 12 DG H8 4.800 3.400 6.200 4.435 3.905 5.539 . 0 0 "[ . 1]" 1
35 1 11 DG H1 1 14 DG H2' 4.800 3.400 6.200 5.603 5.206 6.121 . 0 0 "[ . 1]" 1
36 1 10 DG H1 1 14 DG H8 4.800 3.400 6.200 5.134 4.632 5.447 . 0 0 "[ . 1]" 1
37 1 11 DG H1 1 14 DG H8 5.500 3.800 7.200 5.273 4.856 5.920 . 0 0 "[ . 1]" 1
38 1 14 DG H1 1 15 DG H1 4.000 2.800 5.200 3.691 3.499 4.000 . 0 0 "[ . 1]" 1
39 1 14 DG H1 1 15 DG H1' 4.800 3.400 6.200 6.160 5.922 6.242 0.042 9 0 "[ . 1]" 1
40 1 12 DG H1 1 15 DG H2' 4.800 3.400 6.200 5.752 5.451 6.208 0.008 10 0 "[ . 1]" 1
41 1 11 DG H1 1 15 DG H8 4.800 3.400 6.200 4.696 4.444 5.241 . 0 0 "[ . 1]" 1
42 1 12 DG H1 1 15 DG H8 5.500 3.800 7.200 5.194 4.824 5.556 . 0 0 "[ . 1]" 1
43 1 15 DG H1 1 16 DG H1 4.000 2.800 5.200 4.301 4.057 4.496 . 0 0 "[ . 1]" 1
44 1 12 DG H1 1 16 DG H8 4.800 3.400 6.200 4.324 4.107 4.836 . 0 0 "[ . 1]" 1
45 1 12 DG H1 1 17 DT C7 6.000 4.300 7.700 4.897 4.447 5.455 . 0 0 "[ . 1]" 1
46 1 16 DG H1 1 17 DT H1' 5.500 3.800 7.200 5.233 4.546 7.232 0.032 7 0 "[ . 1]" 1
47 1 16 DG H1 1 17 DT H6 5.500 3.800 7.200 5.436 5.144 6.206 . 0 0 "[ . 1]" 1
48 2 1 DA H1' 2 2 DG H1 4.800 3.400 6.200 4.122 4.077 4.215 . 0 0 "[ . 1]" 1
49 2 1 DA H2 2 2 DG H1 4.800 3.400 6.200 4.798 4.437 5.307 . 0 0 "[ . 1]" 1
50 2 1 DA H2' 2 2 DG H1 5.500 3.800 7.200 5.654 5.561 5.767 . 0 0 "[ . 1]" 1
51 2 1 DA H2'' 2 2 DG H1 4.800 3.400 6.200 4.680 4.564 4.800 . 0 0 "[ . 1]" 1
52 2 1 DA H4' 2 2 DG H1 5.500 3.800 7.200 6.873 6.786 6.924 . 0 0 "[ . 1]" 1
53 1 16 DG H1 2 1 DA H8 4.800 3.400 6.200 5.235 4.887 6.046 . 0 0 "[ . 1]" 1
54 2 1 DA H8 2 2 DG H1 4.800 3.400 6.200 4.585 4.494 4.719 . 0 0 "[ . 1]" 1
55 1 4 DG H1 2 2 DG H1 4.000 2.800 5.200 4.156 3.970 4.343 . 0 0 "[ . 1]" 1
56 1 4 DG H1 2 2 DG H2' 5.500 3.800 7.200 5.389 4.921 5.820 . 0 0 "[ . 1]" 1
57 1 16 DG H1 2 2 DG H8 4.800 3.400 6.200 4.642 4.041 6.160 . 0 0 "[ . 1]" 1
58 1 1 DT H1' 1 1 DT H6 3.800 2.900 4.700 3.731 3.730 3.732 . 0 0 "[ . 1]" 1
59 1 1 DT H1' 1 2 DT H6 5.500 3.800 7.200 4.954 4.940 4.972 . 0 0 "[ . 1]" 1
60 1 2 DT H1' 1 2 DT H6 3.800 2.900 4.700 3.701 3.696 3.704 . 0 0 "[ . 1]" 1
61 1 2 DT H1' 1 3 DG H8 3.800 2.900 4.700 3.606 3.558 3.667 . 0 0 "[ . 1]" 1
62 1 3 DG H1' 1 3 DG H8 3.800 2.900 4.700 3.895 3.893 3.896 . 0 0 "[ . 1]" 1
63 1 3 DG H1' 1 4 DG H8 3.800 2.900 4.700 3.064 2.903 3.247 . 0 0 "[ . 1]" 1
64 1 4 DG H1' 1 4 DG H8 3.800 2.900 4.700 3.911 3.906 3.914 . 0 0 "[ . 1]" 1
65 1 4 DG H1' 2 2 DG H8 3.800 2.900 4.700 4.137 3.522 4.525 . 0 0 "[ . 1]" 1
66 1 5 DT H1' 1 5 DT H6 3.800 2.900 4.700 3.585 3.226 3.734 . 0 0 "[ . 1]" 1
67 1 6 DG H1' 1 6 DG H8 3.800 2.900 4.700 3.887 3.840 3.906 . 0 0 "[ . 1]" 1
68 1 6 DG H1' 1 7 DG H8 3.800 2.900 4.700 3.600 3.431 4.236 . 0 0 "[ . 1]" 1
69 1 7 DG H1' 1 7 DG H8 3.800 2.900 4.700 3.878 3.856 3.899 . 0 0 "[ . 1]" 1
70 1 7 DG H1' 1 8 DG H8 3.800 2.900 4.700 4.494 4.329 4.584 . 0 0 "[ . 1]" 1
71 1 8 DG H1' 1 8 DG H8 3.800 2.900 4.700 3.881 3.808 3.919 . 0 0 "[ . 1]" 1
72 1 9 DT H1' 1 9 DT H6 3.800 2.900 4.700 3.547 3.240 3.734 . 0 0 "[ . 1]" 1
73 1 10 DG H1' 1 10 DG H8 3.800 2.900 4.700 3.872 3.810 3.905 . 0 0 "[ . 1]" 1
74 1 10 DG H1' 1 11 DG H8 3.800 2.900 4.700 3.780 3.281 4.203 . 0 0 "[ . 1]" 1
75 1 11 DG H1' 1 11 DG H8 3.800 2.900 4.700 3.911 3.902 3.915 . 0 0 "[ . 1]" 1
76 1 11 DG H1' 1 12 DG H8 3.800 2.900 4.700 3.691 3.477 3.869 . 0 0 "[ . 1]" 1
77 1 12 DG H1' 1 12 DG H8 3.800 2.900 4.700 3.891 3.826 3.918 . 0 0 "[ . 1]" 1
78 1 13 DT H1' 1 13 DT H6 3.800 2.900 4.700 3.729 3.704 3.734 . 0 0 "[ . 1]" 1
79 1 14 DG H1' 1 14 DG H8 3.800 2.900 4.700 3.889 3.843 3.907 . 0 0 "[ . 1]" 1
80 1 14 DG H1' 1 15 DG H8 3.800 2.900 4.700 3.851 3.539 4.346 . 0 0 "[ . 1]" 1
81 1 15 DG H1' 1 15 DG H8 3.800 2.900 4.700 3.910 3.910 3.912 . 0 0 "[ . 1]" 1
82 1 15 DG H1' 1 16 DG H8 3.800 2.900 4.700 3.548 3.342 3.878 . 0 0 "[ . 1]" 1
83 1 16 DG H1' 1 16 DG H8 3.800 2.900 4.700 3.902 3.851 3.917 . 0 0 "[ . 1]" 1
84 1 16 DG H1' 1 17 DT H6 3.800 2.900 4.700 3.841 3.558 4.322 . 0 0 "[ . 1]" 1
85 1 17 DT H1' 1 17 DT H6 3.800 2.900 4.700 3.670 3.633 3.731 . 0 0 "[ . 1]" 1
86 1 17 DT H1' 2 1 DA H8 5.500 3.800 7.200 5.789 5.695 5.939 . 0 0 "[ . 1]" 1
87 2 1 DA H1' 2 1 DA H2 5.500 3.800 7.200 5.456 5.312 5.583 . 0 0 "[ . 1]" 1
88 2 1 DA H1' 2 1 DA H8 3.800 2.900 4.700 3.229 3.123 3.346 . 0 0 "[ . 1]" 1
89 2 2 DG H1' 2 2 DG H8 2.700 . 3.500 2.653 2.644 2.663 . 0 0 "[ . 1]" 1
90 1 1 DT C7 1 6 DG H1' 5.500 3.800 7.700 6.968 6.758 7.138 . 0 0 "[ . 1]" 1
91 1 1 DT H1' 1 1 DT H2' 3.800 2.900 4.700 3.026 3.025 3.027 . 0 0 "[ . 1]" 1
92 1 1 DT H1' 1 1 DT H2'' 2.700 . 3.500 2.520 2.483 2.551 . 0 0 "[ . 1]" 1
93 1 1 DT H1' 1 2 DT C7 3.800 2.900 5.200 5.321 5.314 5.326 0.126 5 0 "[ . 1]" 1
94 1 2 DT C7 1 14 DG H1' 5.500 3.800 7.700 4.651 4.598 4.693 . 0 0 "[ . 1]" 1
95 1 2 DT H1' 1 2 DT H2' 3.800 2.900 4.700 3.007 3.005 3.010 . 0 0 "[ . 1]" 1
96 1 2 DT H1' 1 2 DT H2'' 2.700 . 3.500 2.379 2.367 2.394 . 0 0 "[ . 1]" 1
97 1 3 DG H1' 1 3 DG H2' 3.800 2.900 4.700 3.015 3.012 3.017 . 0 0 "[ . 1]" 1
98 1 3 DG H1' 1 3 DG H2'' 2.700 . 3.500 2.197 2.194 2.200 . 0 0 "[ . 1]" 1
99 1 4 DG H1' 1 4 DG H2' 3.800 2.900 4.700 3.030 3.028 3.032 . 0 0 "[ . 1]" 1
100 1 4 DG H1' 1 4 DG H2'' 2.700 . 3.500 2.181 2.168 2.190 . 0 0 "[ . 1]" 1
101 1 5 DT C7 1 5 DT H1' 5.500 3.800 7.700 5.723 5.459 5.833 . 0 0 "[ . 1]" 1
102 1 5 DT H1' 1 5 DT H2' 3.800 2.900 4.700 3.026 3.024 3.029 . 0 0 "[ . 1]" 1
103 1 5 DT H1' 1 5 DT H2'' 2.700 . 3.500 2.434 2.248 2.620 . 0 0 "[ . 1]" 1
104 1 6 DG H1' 1 6 DG H2' 3.800 2.900 4.700 3.015 2.985 3.021 . 0 0 "[ . 1]" 1
105 1 6 DG H1' 1 6 DG H2'' 2.700 . 3.500 2.428 2.286 2.467 . 0 0 "[ . 1]" 1
106 1 7 DG H1' 1 7 DG H2' 3.800 2.900 4.700 2.994 2.979 3.010 . 0 0 "[ . 1]" 1
107 1 7 DG H1' 1 7 DG H2'' 2.700 . 3.500 2.202 2.188 2.266 . 0 0 "[ . 1]" 1
108 1 8 DG H1' 1 8 DG H2' 3.800 2.900 4.700 3.025 3.023 3.028 . 0 0 "[ . 1]" 1
109 1 8 DG H1' 1 8 DG H2'' 2.700 . 3.500 2.445 2.405 2.608 . 0 0 "[ . 1]" 1
110 1 9 DT C7 1 9 DT H1' 5.500 3.800 7.700 5.695 5.469 5.833 . 0 0 "[ . 1]" 1
111 1 9 DT H1' 1 9 DT H2' 3.800 2.900 4.700 3.028 3.024 3.033 . 0 0 "[ . 1]" 1
112 1 9 DT H1' 1 9 DT H2'' 2.700 . 3.500 2.460 2.288 2.644 . 0 0 "[ . 1]" 1
113 1 10 DG H1' 1 10 DG H2' 3.800 2.900 4.700 3.011 3.002 3.021 . 0 0 "[ . 1]" 1
114 1 10 DG H1' 1 10 DG H2'' 2.700 . 3.500 2.408 2.311 2.522 . 0 0 "[ . 1]" 1
115 1 11 DG H1' 1 11 DG H2' 3.800 2.900 4.700 3.023 3.018 3.024 . 0 0 "[ . 1]" 1
116 1 11 DG H1' 1 11 DG H2'' 2.700 . 3.500 2.406 2.354 2.487 . 0 0 "[ . 1]" 1
117 1 12 DG H1' 1 12 DG H2' 3.800 2.900 4.700 3.022 3.010 3.029 . 0 0 "[ . 1]" 1
118 1 12 DG H1' 1 12 DG H2'' 2.700 . 3.500 2.403 2.381 2.428 . 0 0 "[ . 1]" 1
119 1 13 DT C7 1 13 DT H1' 5.500 3.800 7.700 5.830 5.809 5.834 . 0 0 "[ . 1]" 1
120 1 13 DT H1' 1 13 DT H2' 3.800 2.900 4.700 3.025 3.015 3.027 . 0 0 "[ . 1]" 1
121 1 13 DT H1' 1 13 DT H2'' 2.700 . 3.500 2.342 2.199 2.396 . 0 0 "[ . 1]" 1
122 1 14 DG H1' 1 14 DG H2' 3.800 2.900 4.700 3.018 3.011 3.021 . 0 0 "[ . 1]" 1
123 1 14 DG H1' 1 14 DG H2'' 2.700 . 3.500 2.390 2.311 2.506 . 0 0 "[ . 1]" 1
124 1 15 DG H1' 1 15 DG H2' 3.800 2.900 4.700 3.029 3.028 3.031 . 0 0 "[ . 1]" 1
125 1 15 DG H1' 1 15 DG H2'' 2.700 . 3.500 2.184 2.179 2.190 . 0 0 "[ . 1]" 1
126 1 16 DG H1' 1 16 DG H2' 3.800 2.900 4.700 3.026 3.025 3.028 . 0 0 "[ . 1]" 1
127 1 16 DG H1' 1 16 DG H2'' 2.700 . 3.500 2.422 2.368 2.548 . 0 0 "[ . 1]" 1
128 1 16 DG H1' 1 17 DT C7 5.500 3.800 7.700 4.973 4.131 5.511 . 0 0 "[ . 1]" 1
129 1 17 DT H1' 1 17 DT H2' 3.800 2.900 4.700 3.031 3.030 3.032 . 0 0 "[ . 1]" 1
130 1 17 DT H1' 1 17 DT H2'' 2.700 . 3.500 2.426 2.405 2.441 . 0 0 "[ . 1]" 1
131 2 1 DA H1' 2 1 DA H2' 3.800 2.900 4.700 3.023 3.021 3.025 . 0 0 "[ . 1]" 1
132 2 1 DA H1' 2 1 DA H2'' 2.700 . 3.500 2.197 2.195 2.200 . 0 0 "[ . 1]" 1
133 2 2 DG H1' 2 2 DG H2' 3.800 2.900 4.700 3.028 3.027 3.029 . 0 0 "[ . 1]" 1
134 2 2 DG H1' 2 2 DG H2'' 2.700 . 3.500 2.321 2.199 2.366 . 0 0 "[ . 1]" 1
135 1 1 DT C7 1 1 DT H6 2.700 . 4.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
136 1 1 DT H2' 1 1 DT H6 2.700 . 3.500 2.223 2.198 2.286 . 0 0 "[ . 1]" 1
137 1 1 DT H2' 1 2 DT H6 5.500 3.800 7.200 5.796 5.728 5.920 . 0 0 "[ . 1]" 1
138 1 1 DT H2'' 1 1 DT H6 3.800 2.900 4.700 3.788 3.741 3.840 . 0 0 "[ . 1]" 1
139 1 1 DT H2'' 1 2 DT H6 5.500 3.800 7.200 4.653 4.593 4.747 . 0 0 "[ . 1]" 1
140 1 2 DT C7 1 2 DT H6 2.700 . 4.000 2.655 2.653 2.657 . 0 0 "[ . 1]" 1
141 1 2 DT C7 1 14 DG H8 5.500 3.800 7.700 6.022 5.849 6.122 . 0 0 "[ . 1]" 1
142 1 2 DT H2' 1 2 DT H6 2.700 . 3.500 2.642 2.620 2.666 . 0 0 "[ . 1]" 1
143 1 2 DT H2' 1 3 DG H8 5.500 3.800 7.200 5.445 5.423 5.465 . 0 0 "[ . 1]" 1
144 1 2 DT H2'' 1 2 DT H6 3.800 2.900 4.700 4.085 4.065 4.104 . 0 0 "[ . 1]" 1
145 1 2 DT H2'' 1 3 DG H8 5.500 3.800 7.200 5.421 5.400 5.451 . 0 0 "[ . 1]" 1
146 1 3 DG H2' 1 3 DG H8 2.700 . 3.500 2.191 2.184 2.198 . 0 0 "[ . 1]" 1
147 1 3 DG H2' 1 4 DG H8 3.800 2.900 4.700 3.930 3.841 3.998 . 0 0 "[ . 1]" 1
148 1 3 DG H2'' 1 3 DG H8 2.700 . 3.500 3.553 3.538 3.566 0.066 10 0 "[ . 1]" 1
149 1 3 DG H2'' 1 4 DG H8 2.700 . 3.500 2.429 2.334 2.532 . 0 0 "[ . 1]" 1
150 1 4 DG H2' 1 4 DG H8 2.700 . 3.500 2.429 2.381 2.489 . 0 0 "[ . 1]" 1
151 1 4 DG H2' 2 2 DG H8 3.800 2.900 4.700 4.020 3.654 4.397 . 0 0 "[ . 1]" 1
152 1 4 DG H2'' 1 4 DG H8 2.700 . 3.500 3.640 3.593 3.715 0.215 10 0 "[ . 1]" 1
153 1 4 DG H2'' 2 2 DG H8 2.700 . 3.500 2.628 2.199 3.101 . 0 0 "[ . 1]" 1
154 1 5 DT C7 1 5 DT H6 2.700 . 4.000 2.657 2.651 2.660 . 0 0 "[ . 1]" 1
155 1 5 DT H2' 1 5 DT H6 2.700 . 3.500 2.263 2.184 2.405 . 0 0 "[ . 1]" 1
156 1 5 DT H2'' 1 5 DT H6 3.800 2.900 4.700 3.438 2.752 3.867 0.148 9 0 "[ . 1]" 1
157 1 6 DG H2' 1 6 DG H8 2.700 . 3.500 2.854 2.710 3.167 . 0 0 "[ . 1]" 1
158 1 6 DG H2' 1 7 DG H8 2.700 . 3.500 3.034 2.675 3.153 . 0 0 "[ . 1]" 1
159 1 6 DG H2'' 1 6 DG H8 3.800 2.900 4.700 4.302 4.211 4.477 . 0 0 "[ . 1]" 1
160 1 6 DG H2'' 1 7 DG H8 2.700 . 3.500 2.235 2.201 2.525 . 0 0 "[ . 1]" 1
161 1 7 DG H2' 1 7 DG H8 2.700 . 3.500 3.021 2.815 3.197 . 0 0 "[ . 1]" 1
162 1 7 DG H2' 1 8 DG H8 3.800 2.900 4.700 3.060 2.873 3.437 0.027 4 0 "[ . 1]" 1
163 1 7 DG H2'' 1 7 DG H8 3.800 2.900 4.700 4.320 4.145 4.452 . 0 0 "[ . 1]" 1
164 1 7 DG H2'' 1 8 DG H8 3.800 2.900 4.700 2.830 2.776 2.889 0.124 2 0 "[ . 1]" 1
165 1 8 DG H2' 1 8 DG H8 2.700 . 3.500 2.857 2.571 3.274 . 0 0 "[ . 1]" 1
166 1 8 DG H2'' 1 8 DG H8 3.800 2.900 4.700 4.261 4.003 4.650 . 0 0 "[ . 1]" 1
167 1 9 DT C7 1 9 DT H6 2.700 . 4.000 2.657 2.651 2.661 . 0 0 "[ . 1]" 1
168 1 9 DT H2' 1 9 DT H6 2.700 . 3.500 2.227 2.187 2.472 . 0 0 "[ . 1]" 1
169 1 9 DT H2'' 1 9 DT H6 3.800 2.900 4.700 3.326 2.748 3.911 0.152 5 0 "[ . 1]" 1
170 1 10 DG H2' 1 10 DG H8 2.700 . 3.500 2.963 2.653 3.361 . 0 0 "[ . 1]" 1
171 1 10 DG H2' 1 11 DG H8 2.700 . 3.500 2.951 2.630 3.312 . 0 0 "[ . 1]" 1
172 1 10 DG H2'' 1 10 DG H8 3.800 2.900 4.700 4.374 4.183 4.591 . 0 0 "[ . 1]" 1
173 1 10 DG H2'' 1 11 DG H8 2.700 . 3.500 2.208 2.199 2.239 . 0 0 "[ . 1]" 1
174 1 11 DG H2' 1 11 DG H8 2.700 . 3.500 2.666 2.595 2.774 . 0 0 "[ . 1]" 1
175 1 11 DG H2' 1 12 DG H8 3.800 2.900 4.700 3.552 3.251 3.823 . 0 0 "[ . 1]" 1
176 1 11 DG H2'' 1 11 DG H8 3.800 2.900 4.700 4.111 4.058 4.278 . 0 0 "[ . 1]" 1
177 1 11 DG H2'' 1 12 DG H8 2.700 . 3.500 2.471 2.200 2.776 . 0 0 "[ . 1]" 1
178 1 12 DG H2' 1 12 DG H8 2.700 . 3.500 2.811 2.470 3.223 . 0 0 "[ . 1]" 1
179 1 12 DG H2'' 1 12 DG H8 3.800 2.900 4.700 4.217 3.937 4.505 . 0 0 "[ . 1]" 1
180 1 13 DT C7 1 13 DT H6 2.700 . 4.000 2.659 2.658 2.660 . 0 0 "[ . 1]" 1
181 1 13 DT H2' 1 13 DT H6 2.700 . 3.500 2.265 2.192 2.688 . 0 0 "[ . 1]" 1
182 1 13 DT H2'' 1 13 DT H6 3.800 2.900 4.700 3.702 3.523 4.099 . 0 0 "[ . 1]" 1
183 1 14 DG H2' 1 14 DG H8 2.700 . 3.500 2.822 2.598 3.200 . 0 0 "[ . 1]" 1
184 1 14 DG H2' 1 15 DG H8 2.700 . 3.500 3.164 2.834 3.435 . 0 0 "[ . 1]" 1
185 1 14 DG H2'' 1 14 DG H8 3.800 2.900 4.700 4.241 4.052 4.484 . 0 0 "[ . 1]" 1
186 1 14 DG H2'' 1 15 DG H8 2.700 . 3.500 2.276 2.200 2.483 . 0 0 "[ . 1]" 1
187 1 15 DG H2' 1 15 DG H8 2.700 . 3.500 2.398 2.367 2.430 . 0 0 "[ . 1]" 1
188 1 15 DG H2' 1 16 DG H8 3.800 2.900 4.700 3.880 3.624 4.142 . 0 0 "[ . 1]" 1
189 1 15 DG H2'' 1 15 DG H8 2.700 . 3.500 3.627 3.600 3.648 0.148 9 0 "[ . 1]" 1
190 1 15 DG H2'' 1 16 DG H8 2.700 . 3.500 2.342 2.175 2.735 . 0 0 "[ . 1]" 1
191 1 16 DG H2' 1 16 DG H8 2.700 . 3.500 2.684 2.470 3.115 . 0 0 "[ . 1]" 1
192 1 16 DG H2' 1 17 DT H6 3.800 2.900 4.700 3.986 3.612 4.528 . 0 0 "[ . 1]" 1
193 1 16 DG H2'' 1 16 DG H8 3.800 2.900 4.700 4.096 3.856 4.539 . 0 0 "[ . 1]" 1
194 1 16 DG H2'' 1 17 DT H6 3.800 2.900 4.700 2.831 2.803 2.861 0.097 6 0 "[ . 1]" 1
195 1 16 DG H8 1 17 DT C7 3.800 2.900 5.200 4.418 4.141 4.926 . 0 0 "[ . 1]" 1
196 1 17 DT C7 1 17 DT H6 2.700 . 4.000 2.657 2.655 2.660 . 0 0 "[ . 1]" 1
197 1 17 DT H2' 1 17 DT H6 2.700 . 3.500 2.785 2.201 3.021 . 0 0 "[ . 1]" 1
198 1 17 DT H2'' 1 17 DT H6 3.800 2.900 4.700 4.124 3.645 4.311 . 0 0 "[ . 1]" 1
199 2 1 DA H2' 2 1 DA H8 3.800 2.900 4.700 4.448 4.315 4.552 . 0 0 "[ . 1]" 1
200 2 1 DA H2'' 2 1 DA H8 3.800 2.900 4.700 4.728 4.723 4.732 0.032 7 0 "[ . 1]" 1
201 2 2 DG H2' 2 2 DG H8 3.800 2.900 4.700 4.165 4.139 4.193 . 0 0 "[ . 1]" 1
202 2 2 DG H2'' 2 2 DG H8 2.700 . 3.500 3.459 3.278 3.507 0.007 7 0 "[ . 1]" 1
203 1 1 DT H1' 1 1 DT H3' 5.500 3.800 7.200 3.808 3.805 3.810 . 0 0 "[ . 1]" 1
204 1 2 DT H1' 1 2 DT H3' 4.600 3.400 5.800 3.892 3.888 3.895 . 0 0 "[ . 1]" 1
205 1 3 DG H1' 1 3 DG H3' 4.600 3.400 5.800 3.870 3.863 3.880 . 0 0 "[ . 1]" 1
206 1 4 DG H1' 1 4 DG H3' 4.600 3.400 5.800 3.793 3.776 3.814 . 0 0 "[ . 1]" 1
207 1 5 DT H1' 1 5 DT H3' 4.600 3.400 5.800 3.820 3.813 3.832 . 0 0 "[ . 1]" 1
208 1 6 DG H1' 1 6 DG H3' 4.600 3.400 5.800 3.870 3.853 3.930 . 0 0 "[ . 1]" 1
209 1 7 DG H1' 1 7 DG H3' 4.600 3.400 5.800 3.897 3.875 3.911 . 0 0 "[ . 1]" 1
210 1 8 DG H1' 1 8 DG H3' 4.600 3.400 5.800 3.821 3.802 3.842 . 0 0 "[ . 1]" 1
211 1 9 DT H1' 1 9 DT H3' 4.600 3.400 5.800 3.813 3.795 3.837 . 0 0 "[ . 1]" 1
212 1 10 DG H1' 1 10 DG H3' 4.600 3.400 5.800 3.874 3.853 3.902 . 0 0 "[ . 1]" 1
213 1 11 DG H1' 1 11 DG H3' 4.600 3.400 5.800 3.837 3.828 3.865 . 0 0 "[ . 1]" 1
214 1 12 DG H1' 1 12 DG H3' 4.600 3.400 5.800 3.835 3.798 3.873 . 0 0 "[ . 1]" 1
215 1 13 DT H1' 1 13 DT H3' 4.600 3.400 5.800 3.820 3.802 3.854 . 0 0 "[ . 1]" 1
216 1 14 DG H1' 1 14 DG H3' 4.600 3.400 5.800 3.856 3.845 3.867 . 0 0 "[ . 1]" 1
217 1 15 DG H1' 1 15 DG H3' 4.600 3.400 5.800 3.803 3.793 3.812 . 0 0 "[ . 1]" 1
218 1 16 DG H1' 1 16 DG H3' 4.600 3.400 5.800 3.809 3.795 3.816 . 0 0 "[ . 1]" 1
219 1 17 DT H1' 1 17 DT H3' 4.600 3.400 5.800 3.776 3.770 3.780 . 0 0 "[ . 1]" 1
220 2 1 DA H1' 2 1 DA H3' 4.600 3.400 5.800 3.822 3.814 3.829 . 0 0 "[ . 1]" 1
221 2 2 DG H1' 2 2 DG H3' 5.500 3.800 7.200 3.790 3.787 3.793 0.013 2 0 "[ . 1]" 1
222 1 1 DT H3' 1 1 DT H6 3.800 2.900 4.700 3.998 3.988 4.018 . 0 0 "[ . 1]" 1
223 1 1 DT H3' 1 2 DT H6 5.500 3.800 7.200 4.245 4.173 4.389 . 0 0 "[ . 1]" 1
224 1 2 DT H3' 1 2 DT H6 3.800 2.900 4.700 4.101 4.091 4.110 . 0 0 "[ . 1]" 1
225 1 2 DT H3' 1 3 DG H8 5.500 3.800 7.200 5.117 5.027 5.188 . 0 0 "[ . 1]" 1
226 1 3 DG H3' 1 3 DG H8 3.800 2.900 4.700 4.233 4.216 4.244 . 0 0 "[ . 1]" 1
227 1 3 DG H3' 1 4 DG H8 4.600 3.400 5.800 5.312 5.203 5.421 . 0 0 "[ . 1]" 1
228 1 4 DG H3' 1 4 DG H8 3.800 2.900 4.700 4.445 4.379 4.493 . 0 0 "[ . 1]" 1
229 1 4 DG H3' 2 2 DG H8 5.500 3.800 7.200 5.297 4.722 5.852 . 0 0 "[ . 1]" 1
230 1 5 DT H3' 1 5 DT H6 5.500 3.800 7.200 4.170 4.025 4.472 . 0 0 "[ . 1]" 1
231 1 5 DT H3' 1 6 DG H8 5.500 3.800 7.200 5.613 4.695 6.373 . 0 0 "[ . 1]" 1
232 1 6 DG H3' 1 6 DG H8 3.800 2.900 4.700 4.393 4.094 4.478 . 0 0 "[ . 1]" 1
233 1 6 DG H3' 1 7 DG H8 3.800 2.900 4.700 4.729 4.582 4.750 0.050 1 0 "[ . 1]" 1
234 1 7 DG H3' 1 7 DG H8 3.800 2.900 4.700 4.084 3.966 4.202 . 0 0 "[ . 1]" 1
235 1 7 DG H3' 1 8 DG H8 4.600 3.400 5.800 4.992 4.766 5.411 . 0 0 "[ . 1]" 1
236 1 8 DG H3' 1 8 DG H8 3.800 2.900 4.700 4.538 4.337 4.795 0.095 3 0 "[ . 1]" 1
237 1 9 DT H3' 1 9 DT H6 4.600 3.400 5.800 4.219 3.972 4.439 . 0 0 "[ . 1]" 1
238 1 10 DG H3' 1 10 DG H8 3.800 2.900 4.700 4.297 4.071 4.393 . 0 0 "[ . 1]" 1
239 1 10 DG H3' 1 11 DG H8 3.800 2.900 4.700 4.646 4.324 4.781 0.081 7 0 "[ . 1]" 1
240 1 11 DG H3' 1 11 DG H8 3.800 2.900 4.700 4.393 4.297 4.435 . 0 0 "[ . 1]" 1
241 1 11 DG H3' 1 12 DG H8 4.600 3.400 5.800 5.155 4.771 5.523 . 0 0 "[ . 1]" 1
242 1 12 DG H3' 1 12 DG H8 3.800 2.900 4.700 4.442 4.199 4.796 0.096 3 0 "[ . 1]" 1
243 1 13 DT H3' 1 13 DT H6 4.600 3.400 5.800 4.040 3.957 4.188 . 0 0 "[ . 1]" 1
244 1 14 DG H3' 1 14 DG H8 3.800 2.900 4.700 4.372 4.228 4.485 . 0 0 "[ . 1]" 1
245 1 14 DG H3' 1 15 DG H8 4.600 3.400 5.800 4.790 4.522 5.009 . 0 0 "[ . 1]" 1
246 1 15 DG H3' 1 15 DG H8 3.800 2.900 4.700 4.399 4.374 4.430 . 0 0 "[ . 1]" 1
247 1 15 DG H3' 1 16 DG H8 4.600 3.400 5.800 5.189 4.921 5.646 . 0 0 "[ . 1]" 1
248 1 16 DG H3' 1 16 DG H8 3.800 2.900 4.700 4.510 4.445 4.730 0.030 5 0 "[ . 1]" 1
249 1 16 DG H3' 1 17 DT H6 4.600 3.400 5.800 5.459 5.217 5.585 . 0 0 "[ . 1]" 1
250 1 17 DT H3' 1 17 DT H6 3.800 2.900 4.700 4.459 4.142 4.592 . 0 0 "[ . 1]" 1
251 2 1 DA H3' 2 1 DA H8 4.600 3.400 5.800 5.697 5.610 5.775 . 0 0 "[ . 1]" 1
252 2 2 DG H3' 2 2 DG H8 5.500 3.800 7.200 5.875 5.858 5.896 . 0 0 "[ . 1]" 1
253 1 1 DT H1' 1 1 DT H4' 2.700 . 3.500 2.818 2.802 2.831 . 0 0 "[ . 1]" 1
254 1 1 DT H4' 1 1 DT H6 4.600 3.400 5.800 4.669 4.636 4.688 . 0 0 "[ . 1]" 1
255 1 1 DT H4' 1 2 DT H6 5.500 3.800 7.200 3.744 3.735 3.750 0.065 10 0 "[ . 1]" 1
256 1 1 DT H4' 1 14 DG H1' 5.500 3.800 7.200 7.239 7.195 7.254 0.054 1 0 "[ . 1]" 1
257 1 2 DT H1' 1 2 DT H4' 2.700 . 3.500 3.395 3.387 3.405 . 0 0 "[ . 1]" 1
258 1 2 DT H4' 1 2 DT H6 4.600 3.400 5.800 4.195 4.186 4.200 . 0 0 "[ . 1]" 1
259 1 2 DT H4' 1 3 DG H8 2.700 . 3.500 2.524 2.392 2.629 . 0 0 "[ . 1]" 1
260 1 3 DG H1' 1 3 DG H4' 2.700 . 3.500 3.408 3.364 3.460 . 0 0 "[ . 1]" 1
261 1 3 DG H4' 1 3 DG H8 4.600 3.400 5.800 4.895 4.861 4.925 . 0 0 "[ . 1]" 1
262 1 3 DG H1' 1 4 DG H4' 5.500 3.800 7.200 4.675 4.515 4.814 . 0 0 "[ . 1]" 1
263 1 4 DG H1' 1 4 DG H4' 2.700 . 3.500 3.113 3.048 3.191 . 0 0 "[ . 1]" 1
264 1 4 DG H4' 1 4 DG H8 4.600 3.400 5.800 4.919 4.877 4.974 . 0 0 "[ . 1]" 1
265 1 5 DT H1' 1 5 DT H4' 2.700 . 3.500 2.941 2.872 3.031 . 0 0 "[ . 1]" 1
266 1 5 DT H4' 1 5 DT H6 4.600 3.400 5.800 4.844 4.562 5.401 . 0 0 "[ . 1]" 1
267 1 6 DG H1' 1 6 DG H4' 2.700 . 3.500 3.118 2.900 3.298 . 0 0 "[ . 1]" 1
268 1 6 DG H4' 1 6 DG H8 3.800 2.900 4.700 4.681 4.618 4.713 0.013 2 0 "[ . 1]" 1
269 1 6 DG H4' 1 7 DG H8 5.500 3.800 7.200 5.948 5.891 6.033 . 0 0 "[ . 1]" 1
270 1 6 DG H1' 1 7 DG H4' 5.500 3.800 7.200 5.075 4.922 5.417 . 0 0 "[ . 1]" 1
271 1 7 DG H1' 1 7 DG H4' 2.700 . 3.500 2.771 2.745 2.813 . 0 0 "[ . 1]" 1
272 1 7 DG H4' 1 7 DG H8 4.600 3.400 5.800 4.748 4.698 4.811 . 0 0 "[ . 1]" 1
273 1 7 DG H1' 1 8 DG H4' 5.500 3.800 7.200 4.760 4.604 4.900 . 0 0 "[ . 1]" 1
274 1 8 DG H1' 1 8 DG H4' 2.700 . 3.500 2.962 2.828 3.042 . 0 0 "[ . 1]" 1
275 1 8 DG H4' 1 8 DG H8 4.600 3.400 5.800 4.783 4.584 4.926 . 0 0 "[ . 1]" 1
276 1 9 DT H1' 1 9 DT H4' 2.700 . 3.500 2.989 2.787 3.186 . 0 0 "[ . 1]" 1
277 1 9 DT H4' 1 9 DT H6 4.600 3.400 5.800 4.921 4.510 5.440 . 0 0 "[ . 1]" 1
278 1 10 DG H1' 1 10 DG H4' 2.700 . 3.500 2.847 2.733 3.122 . 0 0 "[ . 1]" 1
279 1 10 DG H4' 1 10 DG H8 4.600 3.400 5.800 4.747 4.658 4.821 . 0 0 "[ . 1]" 1
280 1 10 DG H4' 1 11 DG H8 5.500 3.800 7.200 5.769 5.643 5.909 . 0 0 "[ . 1]" 1
281 1 10 DG H1' 1 11 DG H4' 5.500 3.800 7.200 5.220 4.836 5.700 . 0 0 "[ . 1]" 1
282 1 11 DG H1' 1 11 DG H4' 2.700 . 3.500 3.016 2.905 3.110 . 0 0 "[ . 1]" 1
283 1 11 DG H4' 1 11 DG H8 4.600 3.400 5.800 4.831 4.808 4.850 . 0 0 "[ . 1]" 1
284 1 11 DG H4' 1 12 DG H8 5.500 3.800 7.200 6.133 5.793 6.486 . 0 0 "[ . 1]" 1
285 1 11 DG H1' 1 12 DG H4' 5.500 3.800 7.200 4.859 4.611 5.450 . 0 0 "[ . 1]" 1
286 1 12 DG H1' 1 12 DG H4' 2.700 . 3.500 2.964 2.771 3.214 . 0 0 "[ . 1]" 1
287 1 12 DG H4' 1 12 DG H8 4.600 3.400 5.800 4.792 4.594 4.879 . 0 0 "[ . 1]" 1
288 1 13 DT H1' 1 13 DT H4' 2.700 . 3.500 2.978 2.782 3.107 . 0 0 "[ . 1]" 1
289 1 13 DT H4' 1 13 DT H6 4.600 3.400 5.800 4.611 4.485 4.672 . 0 0 "[ . 1]" 1
290 1 14 DG H1' 1 14 DG H4' 2.700 . 3.500 2.979 2.728 3.214 . 0 0 "[ . 1]" 1
291 1 14 DG H4' 1 14 DG H8 3.800 2.900 4.700 4.754 4.685 4.819 0.119 2 0 "[ . 1]" 1
292 1 14 DG H4' 1 15 DG H8 5.500 3.800 7.200 6.018 5.851 6.158 . 0 0 "[ . 1]" 1
293 1 14 DG H1' 1 15 DG H4' 5.500 3.800 7.200 5.188 4.943 5.524 . 0 0 "[ . 1]" 1
294 1 15 DG H1' 1 15 DG H4' 2.700 . 3.500 3.076 3.020 3.143 . 0 0 "[ . 1]" 1
295 1 15 DG H4' 1 15 DG H8 4.600 3.400 5.800 4.947 4.926 4.961 . 0 0 "[ . 1]" 1
296 1 16 DG H1' 1 16 DG H4' 2.700 . 3.500 3.060 2.971 3.124 . 0 0 "[ . 1]" 1
297 1 16 DG H4' 1 16 DG H8 4.600 3.400 5.800 4.825 4.638 4.927 . 0 0 "[ . 1]" 1
298 1 16 DG H1' 1 17 DT H4' 4.600 3.400 5.800 4.689 4.254 5.503 . 0 0 "[ . 1]" 1
299 1 17 DT H1' 1 17 DT H4' 2.700 . 3.500 3.184 3.104 3.252 . 0 0 "[ . 1]" 1
300 1 17 DT H4' 1 17 DT H6 4.600 3.400 5.800 4.321 4.189 4.607 . 0 0 "[ . 1]" 1
301 2 1 DA H1' 2 1 DA H4' 2.700 . 3.500 2.780 2.721 2.882 . 0 0 "[ . 1]" 1
302 2 1 DA H4' 2 1 DA H8 3.800 2.900 4.700 4.541 4.524 4.561 . 0 0 "[ . 1]" 1
303 2 1 DA H4' 2 2 DG H8 5.500 3.800 7.200 7.144 7.101 7.213 0.013 10 0 "[ . 1]" 1
304 2 2 DG H1' 2 2 DG H4' 2.700 . 3.500 3.283 3.268 3.297 . 0 0 "[ . 1]" 1
305 2 2 DG H4' 2 2 DG H8 5.500 3.800 7.200 5.817 5.801 5.827 . 0 0 "[ . 1]" 1
306 1 1 DT H2' 1 1 DT H3' 2.700 . 3.500 2.315 2.314 2.316 . 0 0 "[ . 1]" 1
307 1 1 DT H2'' 1 1 DT H3' 2.700 . 3.500 2.623 2.570 2.680 . 0 0 "[ . 1]" 1
308 1 1 DT H3' 1 2 DT C7 5.500 3.800 7.700 4.203 4.093 4.466 . 0 0 "[ . 1]" 1
309 1 2 DT H2' 1 2 DT H3' 2.700 . 3.500 2.335 2.333 2.337 . 0 0 "[ . 1]" 1
310 1 2 DT H2'' 1 2 DT H3' 2.700 . 3.500 2.716 2.697 2.732 . 0 0 "[ . 1]" 1
311 1 3 DG H2' 1 3 DG H3' 2.700 . 3.500 2.357 2.352 2.363 . 0 0 "[ . 1]" 1
312 1 3 DG H2'' 1 3 DG H3' 2.700 . 3.500 2.912 2.905 2.918 . 0 0 "[ . 1]" 1
313 1 4 DG H2' 1 4 DG H3' 2.700 . 3.500 2.358 2.338 2.375 . 0 0 "[ . 1]" 1
314 1 4 DG H2'' 1 4 DG H3' 2.700 . 3.500 2.983 2.976 3.002 . 0 0 "[ . 1]" 1
315 1 5 DT C7 1 5 DT H3' 5.500 3.800 7.700 6.728 6.615 6.945 . 0 0 "[ . 1]" 1
316 1 5 DT H2' 1 5 DT H3' 2.700 . 3.500 2.327 2.318 2.338 . 0 0 "[ . 1]" 1
317 1 5 DT H2'' 1 5 DT H3' 2.700 . 3.500 2.709 2.405 2.940 . 0 0 "[ . 1]" 1
318 1 6 DG H2' 1 6 DG H3' 2.700 . 3.500 2.321 2.280 2.336 . 0 0 "[ . 1]" 1
319 1 6 DG H2'' 1 6 DG H3' 2.700 . 3.500 2.706 2.640 2.933 . 0 0 "[ . 1]" 1
320 1 7 DG H2' 1 7 DG H3' 2.700 . 3.500 2.284 2.279 2.294 . 0 0 "[ . 1]" 1
321 1 7 DG H2'' 1 7 DG H3' 2.700 . 3.500 3.012 2.947 3.033 . 0 0 "[ . 1]" 1
322 1 8 DG H2' 1 8 DG H3' 2.700 . 3.500 2.328 2.312 2.342 . 0 0 "[ . 1]" 1
323 1 8 DG H2'' 1 8 DG H3' 2.700 . 3.500 2.710 2.432 2.786 . 0 0 "[ . 1]" 1
324 1 9 DT C7 1 9 DT H3' 5.500 3.800 7.700 6.773 6.572 6.957 . 0 0 "[ . 1]" 1
325 1 9 DT H2' 1 9 DT H3' 2.700 . 3.500 2.337 2.304 2.366 . 0 0 "[ . 1]" 1
326 1 9 DT H2'' 1 9 DT H3' 2.700 . 3.500 2.656 2.305 2.912 . 0 0 "[ . 1]" 1
327 1 10 DG H2' 1 10 DG H3' 2.700 . 3.500 2.295 2.283 2.325 . 0 0 "[ . 1]" 1
328 1 10 DG H2'' 1 10 DG H3' 2.700 . 3.500 2.785 2.562 2.927 . 0 0 "[ . 1]" 1
329 1 11 DG H2' 1 11 DG H3' 2.700 . 3.500 2.326 2.307 2.340 . 0 0 "[ . 1]" 1
330 1 11 DG H2'' 1 11 DG H3' 2.700 . 3.500 2.756 2.670 2.812 . 0 0 "[ . 1]" 1
331 1 12 DG H2' 1 12 DG H3' 2.700 . 3.500 2.322 2.285 2.351 . 0 0 "[ . 1]" 1
332 1 12 DG H2'' 1 12 DG H3' 2.700 . 3.500 2.771 2.713 2.839 . 0 0 "[ . 1]" 1
333 1 13 DT C7 1 13 DT H3' 5.500 3.800 7.700 6.632 6.537 6.769 . 0 0 "[ . 1]" 1
334 1 13 DT H2' 1 13 DT H3' 2.700 . 3.500 2.332 2.294 2.356 . 0 0 "[ . 1]" 1
335 1 13 DT H2'' 1 13 DT H3' 2.700 . 3.500 2.837 2.756 2.967 . 0 0 "[ . 1]" 1
336 1 14 DG H2' 1 14 DG H3' 2.700 . 3.500 2.315 2.288 2.342 . 0 0 "[ . 1]" 1
337 1 14 DG H2'' 1 14 DG H3' 2.700 . 3.500 2.778 2.602 2.913 . 0 0 "[ . 1]" 1
338 1 15 DG H2' 1 15 DG H3' 2.700 . 3.500 2.348 2.342 2.355 . 0 0 "[ . 1]" 1
339 1 15 DG H2'' 1 15 DG H3' 2.700 . 3.500 2.984 2.964 2.996 . 0 0 "[ . 1]" 1
340 1 16 DG H2' 1 16 DG H3' 2.700 . 3.500 2.341 2.330 2.352 . 0 0 "[ . 1]" 1
341 1 16 DG H2'' 1 16 DG H3' 2.700 . 3.500 2.720 2.523 2.793 . 0 0 "[ . 1]" 1
342 1 16 DG H3' 1 17 DT C7 4.600 3.600 6.100 6.073 5.914 6.165 0.065 8 0 "[ . 1]" 1
343 1 17 DT C7 1 17 DT H3' 5.500 3.800 7.700 6.986 6.742 7.093 . 0 0 "[ . 1]" 1
344 1 17 DT H2' 1 17 DT H3' 2.700 . 3.500 2.351 2.342 2.359 . 0 0 "[ . 1]" 1
345 1 17 DT H2'' 1 17 DT H3' 2.700 . 3.500 2.703 2.677 2.745 . 0 0 "[ . 1]" 1
346 2 1 DA H2' 2 1 DA H3' 2.700 . 3.500 2.312 2.301 2.326 . 0 0 "[ . 1]" 1
347 2 1 DA H2'' 2 1 DA H3' 2.700 . 3.500 3.008 2.991 3.020 . 0 0 "[ . 1]" 1
348 2 2 DG H2' 2 2 DG H3' 2.700 . 3.500 2.358 2.354 2.362 . 0 0 "[ . 1]" 1
349 2 2 DG H2'' 2 2 DG H3' 2.700 . 3.500 2.809 2.760 2.933 . 0 0 "[ . 1]" 1
350 1 1 DT H2' 1 1 DT H4' 4.600 3.400 5.800 3.865 3.864 3.867 . 0 0 "[ . 1]" 1
351 1 1 DT H2'' 1 1 DT H4' 3.800 2.900 4.700 3.776 3.751 3.802 . 0 0 "[ . 1]" 1
352 1 1 DT H4' 1 2 DT C7 3.800 2.900 5.200 2.827 2.815 2.851 0.085 3 0 "[ . 1]" 1
353 1 2 DT H2' 1 2 DT H4' 3.800 2.900 4.700 3.869 3.866 3.872 . 0 0 "[ . 1]" 1
354 1 2 DT H2'' 1 2 DT H4' 4.600 3.400 5.800 4.034 4.025 4.041 . 0 0 "[ . 1]" 1
355 1 3 DG H2' 1 3 DG H4' 3.800 2.900 4.700 3.832 3.824 3.841 . 0 0 "[ . 1]" 1
356 1 3 DG H2' 1 4 DG H4' 5.500 3.800 7.200 7.195 7.126 7.235 0.035 5 0 "[ . 1]" 1
357 1 3 DG H2'' 1 3 DG H4' 4.600 3.400 5.800 4.118 4.102 4.132 . 0 0 "[ . 1]" 1
358 1 4 DG H2' 1 4 DG H4' 3.800 2.900 4.700 3.825 3.803 3.846 . 0 0 "[ . 1]" 1
359 1 4 DG H2'' 1 4 DG H4' 3.800 2.900 4.700 4.055 4.009 4.101 . 0 0 "[ . 1]" 1
360 1 5 DT C7 1 5 DT H4' 5.500 3.800 7.700 7.335 7.115 7.769 0.069 5 0 "[ . 1]" 1
361 1 5 DT H2' 1 5 DT H4' 3.800 2.900 4.700 3.868 3.860 3.876 . 0 0 "[ . 1]" 1
362 1 5 DT H2'' 1 5 DT H4' 4.600 3.400 5.800 3.856 3.708 3.956 . 0 0 "[ . 1]" 1
363 1 6 DG H2' 1 6 DG H4' 3.800 2.900 4.700 3.882 3.868 3.918 . 0 0 "[ . 1]" 1
364 1 6 DG H2' 1 7 DG H4' 5.500 3.800 7.200 6.558 6.025 6.722 . 0 0 "[ . 1]" 1
365 1 6 DG H2'' 1 6 DG H4' 3.800 2.900 4.700 3.883 3.586 3.977 . 0 0 "[ . 1]" 1
366 1 6 DG H2'' 1 7 DG H4' 4.600 3.400 5.800 4.812 4.335 4.973 . 0 0 "[ . 1]" 1
367 1 7 DG H2' 1 7 DG H4' 3.800 2.900 4.700 3.891 3.883 3.901 . 0 0 "[ . 1]" 1
368 1 7 DG H2' 1 8 DG H4' 4.600 3.400 5.800 5.795 5.745 5.848 0.048 3 0 "[ . 1]" 1
369 1 7 DG H2'' 1 7 DG H4' 4.600 3.400 5.800 3.553 3.427 3.704 . 0 0 "[ . 1]" 1
370 1 8 DG H2' 1 8 DG H4' 4.600 3.400 5.800 3.866 3.852 3.879 . 0 0 "[ . 1]" 1
371 1 8 DG H2'' 1 8 DG H4' 4.600 3.400 5.800 3.875 3.767 3.959 . 0 0 "[ . 1]" 1
372 1 9 DT C7 1 9 DT H4' 5.500 3.800 7.700 7.393 7.077 7.796 0.096 10 0 "[ . 1]" 1
373 1 9 DT H2' 1 9 DT H4' 3.800 2.900 4.700 3.853 3.825 3.875 . 0 0 "[ . 1]" 1
374 1 9 DT H2'' 1 9 DT H4' 4.600 3.400 5.800 3.868 3.644 4.065 . 0 0 "[ . 1]" 1
375 1 10 DG H2' 1 10 DG H4' 3.800 2.900 4.700 3.892 3.876 3.912 . 0 0 "[ . 1]" 1
376 1 10 DG H2'' 1 10 DG H4' 4.600 3.400 5.800 3.679 3.556 3.869 . 0 0 "[ . 1]" 1
377 1 10 DG H2'' 1 11 DG H4' 4.600 3.400 5.800 4.801 4.572 5.297 . 0 0 "[ . 1]" 1
378 1 11 DG H2' 1 11 DG H4' 3.800 2.900 4.700 3.874 3.858 3.895 . 0 0 "[ . 1]" 1
379 1 11 DG H2' 1 12 DG H4' 5.500 3.800 7.200 6.758 6.545 7.154 . 0 0 "[ . 1]" 1
380 1 11 DG H2'' 1 11 DG H4' 4.600 3.400 5.800 3.901 3.757 3.964 . 0 0 "[ . 1]" 1
381 1 12 DG H2' 1 12 DG H4' 4.600 3.400 5.800 3.870 3.842 3.895 . 0 0 "[ . 1]" 1
382 1 12 DG H2'' 1 12 DG H4' 4.600 3.400 5.800 3.861 3.632 4.018 . 0 0 "[ . 1]" 1
383 1 13 DT C7 1 13 DT H4' 5.500 3.800 7.700 7.152 7.059 7.199 . 0 0 "[ . 1]" 1
384 1 13 DT H2' 1 13 DT H4' 3.800 2.900 4.700 3.863 3.838 3.888 . 0 0 "[ . 1]" 1
385 1 13 DT H2'' 1 13 DT H4' 4.600 3.400 5.800 3.919 3.706 4.009 . 0 0 "[ . 1]" 1
386 1 14 DG H2' 1 14 DG H4' 3.800 2.900 4.700 3.877 3.854 3.890 . 0 0 "[ . 1]" 1
387 1 14 DG H2'' 1 14 DG H4' 4.600 3.400 5.800 3.829 3.630 3.972 . 0 0 "[ . 1]" 1
388 1 14 DG H2'' 1 15 DG H4' 5.500 3.800 7.200 4.992 4.603 5.236 . 0 0 "[ . 1]" 1
389 1 15 DG H2' 1 15 DG H4' 3.800 2.900 4.700 3.839 3.828 3.846 . 0 0 "[ . 1]" 1
390 1 15 DG H2'' 1 15 DG H4' 4.600 3.400 5.800 4.026 4.000 4.060 . 0 0 "[ . 1]" 1
391 1 16 DG H2' 1 16 DG H4' 4.600 3.400 5.800 3.849 3.839 3.860 . 0 0 "[ . 1]" 1
392 1 16 DG H2'' 1 16 DG H4' 3.800 2.900 4.700 3.957 3.886 4.010 . 0 0 "[ . 1]" 1
393 1 17 DT H2' 1 17 DT H4' 3.800 2.900 4.700 3.799 3.787 3.814 . 0 0 "[ . 1]" 1
394 1 17 DT H2'' 1 17 DT H4' 3.800 2.900 4.700 4.055 4.031 4.073 . 0 0 "[ . 1]" 1
395 2 1 DA H2' 2 1 DA H4' 4.600 3.400 5.800 3.871 3.868 3.873 . 0 0 "[ . 1]" 1
396 2 1 DA H2'' 2 1 DA H4' 3.800 2.900 4.700 3.803 3.742 3.888 . 0 0 "[ . 1]" 1
397 2 2 DG H2' 2 2 DG H4' 4.600 3.400 5.800 3.790 3.783 3.795 . 0 0 "[ . 1]" 1
398 2 2 DG H2'' 2 2 DG H4' 3.800 2.900 4.700 4.115 4.102 4.140 . 0 0 "[ . 1]" 1
399 1 1 DT H3' 1 1 DT H4' 2.700 . 3.500 2.908 2.905 2.911 . 0 0 "[ . 1]" 1
400 1 2 DT H3' 1 2 DT H4' 2.700 . 3.500 2.769 2.767 2.772 . 0 0 "[ . 1]" 1
401 1 2 DT H4' 1 3 DG H3' 5.500 3.800 7.200 4.569 4.505 4.654 . 0 0 "[ . 1]" 1
402 1 3 DG H3' 1 3 DG H4' 2.700 . 3.500 2.748 2.734 2.762 . 0 0 "[ . 1]" 1
403 1 4 DG H3' 1 4 DG H4' 2.700 . 3.500 2.809 2.782 2.833 . 0 0 "[ . 1]" 1
404 1 5 DT H3' 1 5 DT H4' 2.700 . 3.500 2.872 2.846 2.893 . 0 0 "[ . 1]" 1
405 1 6 DG H3' 1 6 DG H4' 2.700 . 3.500 2.845 2.790 2.955 . 0 0 "[ . 1]" 1
406 1 7 DG H3' 1 7 DG H4' 2.700 . 3.500 2.971 2.939 2.994 . 0 0 "[ . 1]" 1
407 1 8 DG H3' 1 8 DG H4' 2.700 . 3.500 2.866 2.837 2.906 . 0 0 "[ . 1]" 1
408 1 9 DT H3' 1 9 DT H4' 2.700 . 3.500 2.854 2.793 2.920 . 0 0 "[ . 1]" 1
409 1 10 DG H3' 1 10 DG H4' 2.700 . 3.500 2.928 2.836 2.971 . 0 0 "[ . 1]" 1
410 1 11 DG H3' 1 11 DG H4' 2.700 . 3.500 2.859 2.826 2.901 . 0 0 "[ . 1]" 1
411 1 12 DG H3' 1 12 DG H4' 2.700 . 3.500 2.873 2.794 2.952 . 0 0 "[ . 1]" 1
412 1 13 DT H3' 1 13 DT H4' 2.700 . 3.500 2.861 2.815 2.937 . 0 0 "[ . 1]" 1
413 1 14 DG H3' 1 14 DG H4' 2.700 . 3.500 2.877 2.801 2.958 . 0 0 "[ . 1]" 1
414 1 15 DG H3' 1 15 DG H4' 2.700 . 3.500 2.825 2.805 2.840 . 0 0 "[ . 1]" 1
415 1 16 DG H3' 1 16 DG H4' 2.700 . 3.500 2.833 2.815 2.861 . 0 0 "[ . 1]" 1
416 1 17 DT H3' 1 17 DT H4' 2.700 . 3.500 2.782 2.763 2.803 . 0 0 "[ . 1]" 1
417 2 1 DA H3' 2 1 DA H4' 2.700 . 3.500 2.919 2.891 2.937 . 0 0 "[ . 1]" 1
418 2 2 DG H3' 2 2 DG H4' 3.800 2.900 4.700 2.764 2.758 2.770 0.142 2 0 "[ . 1]" 1
419 1 1 DT H2' 1 1 DT H5' 5.500 3.800 7.200 4.486 4.479 4.495 . 0 0 "[ . 1]" 1
420 1 1 DT H2' 1 1 DT H5'' 5.500 3.800 7.200 4.394 4.386 4.402 . 0 0 "[ . 1]" 1
421 1 1 DT H3' 1 1 DT H5' 3.800 2.900 4.700 3.657 3.655 3.658 . 0 0 "[ . 1]" 1
422 1 1 DT H4' 1 1 DT H5' 2.700 . 3.500 2.508 2.506 2.509 . 0 0 "[ . 1]" 1
423 1 1 DT H5' 1 1 DT H6 4.600 3.400 5.800 4.363 4.288 4.415 . 0 0 "[ . 1]" 1
424 1 1 DT H3' 1 1 DT H5'' 3.800 2.900 4.700 2.702 2.699 2.707 0.201 1 0 "[ . 1]" 1
425 1 1 DT H4' 1 1 DT H5'' 2.700 . 3.500 2.417 2.416 2.419 . 0 0 "[ . 1]" 1
426 1 1 DT H5'' 1 1 DT H6 4.600 3.400 5.800 5.048 5.004 5.085 . 0 0 "[ . 1]" 1
427 1 2 DT H2' 1 2 DT H5' 5.500 3.800 7.200 4.233 4.218 4.252 . 0 0 "[ . 1]" 1
428 1 2 DT H2' 1 2 DT H5'' 5.500 3.800 7.200 3.739 3.731 3.750 0.069 10 0 "[ . 1]" 1
429 1 1 DT H1' 1 2 DT H5' 5.500 3.800 7.200 4.360 4.301 4.448 . 0 0 "[ . 1]" 1
430 1 1 DT H3' 1 2 DT H5' 5.500 3.800 7.200 4.244 4.179 4.280 . 0 0 "[ . 1]" 1
431 1 1 DT H4' 1 2 DT H5' 4.600 3.400 5.800 5.008 4.980 5.028 . 0 0 "[ . 1]" 1
432 1 2 DT H3' 1 2 DT H5' 3.800 2.900 4.700 3.629 3.626 3.633 . 0 0 "[ . 1]" 1
433 1 2 DT H4' 1 2 DT H5' 2.700 . 3.500 2.406 2.401 2.409 . 0 0 "[ . 1]" 1
434 1 2 DT H5' 1 2 DT H6 4.600 3.400 5.800 3.341 3.331 3.354 0.069 2 0 "[ . 1]" 1
435 1 2 DT H5' 1 3 DG H8 5.500 3.800 7.200 3.654 3.635 3.665 0.165 7 0 "[ . 1]" 1
436 1 1 DT H4' 1 2 DT H5'' 4.600 3.400 5.800 5.803 5.789 5.814 0.014 9 0 "[ . 1]" 1
437 1 2 DT H3' 1 2 DT H5'' 2.700 . 3.500 2.392 2.381 2.397 . 0 0 "[ . 1]" 1
438 1 2 DT H4' 1 2 DT H5'' 2.700 . 3.500 2.515 2.512 2.524 . 0 0 "[ . 1]" 1
439 1 2 DT H5'' 1 2 DT H6 4.600 3.400 5.800 3.916 3.905 3.925 . 0 0 "[ . 1]" 1
440 1 2 DT H5'' 1 3 DG H8 5.500 3.800 7.200 4.700 4.626 4.758 . 0 0 "[ . 1]" 1
441 1 3 DG H1' 1 3 DG Q5' 5.500 3.800 7.200 4.318 4.313 4.320 . 0 0 "[ . 1]" 1
442 1 3 DG H5' 1 3 DG H8 3.800 2.900 4.700 4.205 4.108 4.290 . 0 0 "[ . 1]" 1
443 1 3 DG H5'' 1 3 DG H8 3.800 2.900 4.700 4.476 4.361 4.569 . 0 0 "[ . 1]" 1
444 1 3 DG H1' 1 4 DG Q5' 4.600 3.400 5.800 2.888 2.769 3.026 0.631 10 6 "[****- +]" 1
445 1 4 DG H5' 1 4 DG H8 4.600 3.400 5.800 4.342 4.203 4.470 . 0 0 "[ . 1]" 1
446 1 4 DG H5'' 1 4 DG H8 4.600 3.400 5.800 4.954 4.810 5.090 . 0 0 "[ . 1]" 1
447 1 6 DG H5' 1 6 DG H8 3.800 2.900 4.700 4.023 3.730 4.159 . 0 0 "[ . 1]" 1
448 1 6 DG H5'' 1 6 DG H8 3.800 2.900 4.700 4.727 4.504 4.910 0.210 7 0 "[ . 1]" 1
449 1 6 DG H1' 1 7 DG Q5' 4.600 3.400 5.800 3.438 3.318 3.700 0.082 8 0 "[ . 1]" 1
450 1 7 DG H1' 1 7 DG Q5' 5.500 3.800 7.200 4.147 4.136 4.164 . 0 0 "[ . 1]" 1
451 1 7 DG H5' 1 7 DG H8 4.600 3.400 5.800 4.457 4.425 4.495 . 0 0 "[ . 1]" 1
452 1 7 DG H5'' 1 7 DG H8 4.600 3.400 5.800 5.161 5.133 5.188 . 0 0 "[ . 1]" 1
453 1 7 DG H1' 1 8 DG Q5' 4.600 3.400 5.800 3.774 3.032 4.852 0.368 5 0 "[ . 1]" 1
454 1 8 DG H1' 1 8 DG Q5' 4.600 3.400 5.800 4.178 4.137 4.212 . 0 0 "[ . 1]" 1
455 1 8 DG H5' 1 8 DG H8 4.600 3.400 5.800 4.688 4.485 4.940 . 0 0 "[ . 1]" 1
456 1 8 DG H5'' 1 8 DG H8 4.600 3.400 5.800 4.442 3.373 5.272 0.027 9 0 "[ . 1]" 1
457 1 10 DG H5' 1 10 DG H8 3.800 2.900 4.700 3.854 3.554 4.499 . 0 0 "[ . 1]" 1
458 1 10 DG H5'' 1 10 DG H8 3.800 2.900 4.700 4.514 4.264 4.916 0.216 7 0 "[ . 1]" 1
459 1 11 DG H5' 1 11 DG H8 4.600 3.400 5.800 4.294 4.190 4.373 . 0 0 "[ . 1]" 1
460 1 11 DG H5'' 1 11 DG H8 4.600 3.400 5.800 4.986 4.885 5.094 . 0 0 "[ . 1]" 1
461 1 12 DG H1' 1 12 DG Q5' 5.500 3.800 7.200 4.190 4.143 4.280 . 0 0 "[ . 1]" 1
462 1 12 DG H5' 1 12 DG H8 4.600 3.400 5.800 4.495 4.177 4.934 . 0 0 "[ . 1]" 1
463 1 12 DG H5'' 1 12 DG H8 4.600 3.400 5.800 4.734 3.357 5.219 0.043 3 0 "[ . 1]" 1
464 1 14 DG H1' 1 14 DG Q5' 5.500 3.800 7.200 4.124 4.017 4.284 . 0 0 "[ . 1]" 1
465 1 14 DG H5' 1 14 DG H8 3.800 2.900 4.700 3.746 2.928 4.233 . 0 0 "[ . 1]" 1
466 1 14 DG H5'' 1 14 DG H8 3.800 2.900 4.700 4.480 3.943 4.768 0.068 1 0 "[ . 1]" 1
467 1 14 DG H1' 1 15 DG Q5' 4.600 3.400 5.800 3.223 3.007 3.455 0.393 1 0 "[ . 1]" 1
468 1 15 DG H5' 1 15 DG H8 4.600 3.400 5.800 4.398 4.311 4.451 . 0 0 "[ . 1]" 1
469 1 15 DG H5'' 1 15 DG H8 4.600 3.400 5.800 5.041 4.959 5.119 . 0 0 "[ . 1]" 1
470 1 15 DG H1' 1 16 DG H5' 4.600 3.400 5.800 3.803 3.307 5.588 0.093 7 0 "[ . 1]" 1
471 1 16 DG H1' 1 16 DG Q5' 5.500 3.800 7.200 4.227 4.147 4.263 . 0 0 "[ . 1]" 1
472 1 16 DG H5' 1 16 DG H8 4.600 3.400 5.800 4.488 4.250 4.906 . 0 0 "[ . 1]" 1
473 1 16 DG H5'' 1 16 DG H8 4.600 3.400 5.800 4.629 3.363 5.054 0.037 5 0 "[ . 1]" 1
474 1 16 DG H1' 1 17 DT H5' 5.500 3.800 7.200 4.825 3.693 5.484 0.107 4 0 "[ . 1]" 1
475 1 17 DT H1' 1 17 DT H5' 5.500 3.800 7.200 4.890 4.676 4.958 . 0 0 "[ . 1]" 1
476 1 17 DT H3' 1 17 DT H5' 2.700 . 3.500 2.702 2.442 3.612 0.112 7 0 "[ . 1]" 1
477 1 17 DT H5' 1 17 DT H6 4.600 3.400 5.800 4.360 4.110 4.456 . 0 0 "[ . 1]" 1
478 1 16 DG H1' 1 17 DT H5'' 5.500 3.800 7.200 4.728 4.432 5.088 . 0 0 "[ . 1]" 1
479 1 17 DT H1' 1 17 DT H5'' 5.500 3.800 7.200 4.473 4.346 4.912 . 0 0 "[ . 1]" 1
480 1 17 DT H3' 1 17 DT H5'' 2.700 . 3.500 2.604 2.396 2.678 . 0 0 "[ . 1]" 1
481 1 17 DT H5'' 1 17 DT H6 3.800 2.900 4.700 3.193 2.842 4.571 0.058 6 0 "[ . 1]" 1
482 2 1 DA H3' 2 1 DA H5' 2.700 . 3.500 2.488 2.446 2.512 . 0 0 "[ . 1]" 1
483 2 1 DA H4' 2 1 DA H5' 2.700 . 3.500 2.849 2.547 3.048 . 0 0 "[ . 1]" 1
484 2 1 DA H5' 2 1 DA H8 4.600 3.400 5.800 5.336 4.877 5.822 0.022 9 0 "[ . 1]" 1
485 2 1 DA H3' 2 1 DA H5'' 3.800 2.900 4.700 3.263 2.685 3.638 0.215 4 0 "[ . 1]" 1
486 2 1 DA H4' 2 1 DA H5'' 2.700 . 3.500 2.688 2.457 3.032 . 0 0 "[ . 1]" 1
487 2 1 DA H5'' 2 1 DA H8 4.600 3.400 5.800 4.669 4.449 4.839 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 17.918
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0148
_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 3 DG 0.229 0.024 3 0 "[ . 1]"
1 4 DG 0.066 0.017 7 0 "[ . 1]"
1 6 DG 0.119 0.018 9 0 "[ . 1]"
1 7 DG 0.111 0.016 4 0 "[ . 1]"
1 8 DG 0.569 0.050 10 0 "[ . 1]"
1 10 DG 0.112 0.017 8 0 "[ . 1]"
1 11 DG 0.077 0.016 4 0 "[ . 1]"
1 12 DG 0.504 0.047 10 0 "[ . 1]"
1 14 DG 0.222 0.024 3 0 "[ . 1]"
1 15 DG 0.032 0.017 7 0 "[ . 1]"
1 16 DG 0.573 0.047 10 0 "[ . 1]"
1 17 DT 0.166 0.020 4 0 "[ . 1]"
2 1 DA 0.166 0.020 4 0 "[ . 1]"
2 2 DG 0.638 0.050 10 0 "[ . 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 1 3 DG H21 1 6 DG N7 2.000 . 2.200 2.053 1.951 2.115 . 0 0 "[ . 1]" 2
2 1 3 DG N2 1 6 DG N7 2.900 2.600 3.200 2.978 2.889 3.044 . 0 0 "[ . 1]" 2
3 1 3 DG H1 1 6 DG O6 2.000 . 2.200 2.168 2.024 2.210 0.010 9 0 "[ . 1]" 2
4 1 3 DG N1 1 6 DG O6 2.900 2.600 3.200 3.173 3.026 3.218 0.018 9 0 "[ . 1]" 2
5 1 6 DG H21 1 10 DG N7 2.000 . 2.200 2.049 1.826 2.214 0.014 7 0 "[ . 1]" 2
6 1 6 DG N2 1 10 DG N7 2.900 2.600 3.200 3.053 2.833 3.205 0.005 9 0 "[ . 1]" 2
7 1 6 DG H1 1 10 DG O6 2.000 . 2.200 2.129 2.028 2.209 0.009 6 0 "[ . 1]" 2
8 1 6 DG N1 1 10 DG O6 2.900 2.600 3.200 3.066 2.971 3.133 . 0 0 "[ . 1]" 2
9 1 10 DG H21 1 14 DG N7 2.000 . 2.200 2.088 1.795 2.210 0.010 10 0 "[ . 1]" 2
10 1 10 DG N2 1 14 DG N7 2.900 2.600 3.200 3.080 2.804 3.205 0.005 4 0 "[ . 1]" 2
11 1 10 DG H1 1 14 DG O6 2.000 . 2.200 2.171 2.067 2.217 0.017 8 0 "[ . 1]" 2
12 1 10 DG N1 1 14 DG O6 2.900 2.600 3.200 3.154 3.057 3.208 0.008 7 0 "[ . 1]" 2
13 1 3 DG N7 1 14 DG H21 2.000 . 2.200 2.037 1.968 2.140 . 0 0 "[ . 1]" 2
14 1 3 DG N7 1 14 DG N2 2.900 2.600 3.200 3.032 2.964 3.137 . 0 0 "[ . 1]" 2
15 1 3 DG O6 1 14 DG H1 2.000 . 2.200 1.793 1.776 1.875 0.024 3 0 "[ . 1]" 2
16 1 3 DG O6 1 14 DG N1 2.900 2.600 3.200 2.752 2.694 2.844 . 0 0 "[ . 1]" 2
17 1 4 DG H21 1 7 DG N7 2.000 . 2.200 1.813 1.789 1.879 0.011 8 0 "[ . 1]" 2
18 1 4 DG N2 1 7 DG N7 2.900 2.600 3.200 2.816 2.787 2.885 . 0 0 "[ . 1]" 2
19 1 4 DG H1 1 7 DG O6 2.000 . 2.200 2.100 1.998 2.192 . 0 0 "[ . 1]" 2
20 1 4 DG N1 1 7 DG O6 2.900 2.600 3.200 3.046 2.926 3.169 . 0 0 "[ . 1]" 2
21 1 7 DG H21 1 11 DG N7 2.000 . 2.200 2.009 1.893 2.154 . 0 0 "[ . 1]" 2
22 1 7 DG N2 1 11 DG N7 2.900 2.600 3.200 3.012 2.902 3.147 . 0 0 "[ . 1]" 2
23 1 7 DG H1 1 11 DG O6 2.000 . 2.200 2.183 2.073 2.216 0.016 4 0 "[ . 1]" 2
24 1 7 DG N1 1 11 DG O6 2.900 2.600 3.200 3.094 2.986 3.195 . 0 0 "[ . 1]" 2
25 1 11 DG H21 1 15 DG N7 2.000 . 2.200 1.946 1.862 2.082 . 0 0 "[ . 1]" 2
26 1 11 DG N2 1 15 DG N7 2.900 2.600 3.200 2.948 2.871 3.081 . 0 0 "[ . 1]" 2
27 1 11 DG H1 1 15 DG O6 2.000 . 2.200 2.118 1.978 2.208 0.008 8 0 "[ . 1]" 2
28 1 11 DG N1 1 15 DG O6 2.900 2.600 3.200 3.034 2.957 3.118 . 0 0 "[ . 1]" 2
29 1 4 DG N7 1 15 DG H21 2.000 . 2.200 1.927 1.783 2.099 0.017 7 0 "[ . 1]" 2
30 1 4 DG N7 1 15 DG N2 2.900 2.600 3.200 2.920 2.786 3.078 . 0 0 "[ . 1]" 2
31 1 4 DG O6 1 15 DG H1 2.000 . 2.200 2.012 1.813 2.201 0.001 5 0 "[ . 1]" 2
32 1 4 DG O6 1 15 DG N1 2.900 2.600 3.200 2.941 2.794 3.110 . 0 0 "[ . 1]" 2
33 1 8 DG N7 2 2 DG H21 2.000 . 2.200 1.796 1.751 1.888 0.049 1 0 "[ . 1]" 2
34 1 8 DG N7 2 2 DG N2 2.900 2.600 3.200 2.786 2.735 2.872 . 0 0 "[ . 1]" 2
35 1 8 DG O6 2 2 DG H1 2.000 . 2.200 2.226 2.210 2.250 0.050 10 0 "[ . 1]" 2
36 1 8 DG O6 2 2 DG N1 2.900 2.600 3.200 3.102 3.054 3.201 0.001 2 0 "[ . 1]" 2
37 1 8 DG H21 1 12 DG N7 2.000 . 2.200 1.854 1.761 2.013 0.039 9 0 "[ . 1]" 2
38 1 8 DG N2 1 12 DG N7 2.900 2.600 3.200 2.819 2.712 2.941 . 0 0 "[ . 1]" 2
39 1 8 DG H1 1 12 DG O6 2.000 . 2.200 2.091 1.796 2.225 0.025 9 0 "[ . 1]" 2
40 1 8 DG N1 1 12 DG O6 2.900 2.600 3.200 2.932 2.807 3.079 . 0 0 "[ . 1]" 2
41 1 12 DG H21 1 16 DG N7 2.000 . 2.200 1.830 1.753 1.985 0.047 10 0 "[ . 1]" 2
42 1 12 DG N2 1 16 DG N7 2.900 2.600 3.200 2.822 2.745 2.967 . 0 0 "[ . 1]" 2
43 1 12 DG H1 1 16 DG O6 2.000 . 2.200 2.147 1.822 2.241 0.041 10 0 "[ . 1]" 2
44 1 12 DG N1 1 16 DG O6 2.900 2.600 3.200 2.992 2.589 3.134 0.011 7 0 "[ . 1]" 2
45 1 16 DG H21 2 2 DG N7 2.000 . 2.200 1.828 1.779 2.037 0.021 3 0 "[ . 1]" 2
46 1 16 DG N2 2 2 DG N7 2.900 2.600 3.200 2.734 2.595 2.788 0.005 4 0 "[ . 1]" 2
47 1 16 DG H1 2 2 DG O6 2.000 . 2.200 1.978 1.764 2.150 0.036 4 0 "[ . 1]" 2
48 1 16 DG N1 2 2 DG O6 2.900 2.600 3.200 2.807 2.662 2.938 . 0 0 "[ . 1]" 2
49 1 17 DT H3 2 1 DA N7 2.000 . 2.200 2.192 2.114 2.220 0.020 4 0 "[ . 1]" 2
50 1 17 DT N3 2 1 DA N7 2.900 2.600 3.200 3.193 3.118 3.219 0.019 4 0 "[ . 1]" 2
51 1 17 DT O4 2 1 DA H62 2.000 . 2.200 1.860 1.786 1.899 0.014 4 0 "[ . 1]" 2
52 1 17 DT O4 2 1 DA N6 2.900 2.600 3.200 2.761 2.699 2.862 . 0 0 "[ . 1]" 2
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