NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393660 |
1qsk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qsk
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 596
_Distance_constraint_stats_list.Viol_count 3440
_Distance_constraint_stats_list.Viol_total 5808.957
_Distance_constraint_stats_list.Viol_max 1.434
_Distance_constraint_stats_list.Viol_rms 0.1350
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0433
_Distance_constraint_stats_list.Viol_average_violations_only 0.1126
_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 DG 11.479 0.339 13 0 "[ . 1 .]"
1 2 DC 11.795 0.307 11 0 "[ . 1 .]"
1 3 DA 45.286 1.434 13 15 [***********-+**]
1 4 DT 41.829 1.434 13 15 [***********-+**]
1 5 DC 13.877 0.255 5 0 "[ . 1 .]"
1 6 DG 9.608 0.255 5 0 "[ . 1 .]"
1 7 DA 6.047 0.296 2 0 "[ . 1 .]"
1 8 DA 6.600 0.222 12 0 "[ . 1 .]"
1 9 DA 3.710 0.101 10 0 "[ . 1 .]"
1 10 DA 4.229 0.178 15 0 "[ . 1 .]"
1 11 DA 20.438 1.282 3 15 [**+*********-**]
1 12 DG 27.283 1.282 3 15 [**+*********-**]
1 13 DC 51.049 1.245 1 15 [+***********-**]
1 14 DT 43.759 1.245 1 15 [+**-***********]
1 15 DA 16.169 0.430 15 0 "[ . 1 .]"
1 16 DC 11.349 0.235 5 0 "[ . 1 .]"
1 17 DG 10.511 0.350 5 0 "[ . 1 .]"
2 1 DC 5.018 0.193 3 0 "[ . 1 .]"
2 2 DG 49.998 1.243 8 15 [*******+*-*****]
2 3 DT 50.982 1.243 8 15 [*******+*-*****]
2 4 DA 9.352 0.140 15 0 "[ . 1 .]"
2 5 DG 9.804 0.210 15 0 "[ . 1 .]"
2 6 DC 6.443 0.302 13 0 "[ . 1 .]"
2 7 DC 4.117 0.302 13 0 "[ . 1 .]"
2 8 DG 7.760 0.189 1 0 "[ . 1 .]"
2 9 DA 69.415 1.213 4 15 [***+**-********]
2 10 DT 49.891 1.213 4 15 [***+**-********]
2 11 DG 12.775 0.547 3 1 "[ + . 1 .]"
2 12 DC 15.053 0.547 3 1 "[ + . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DG C5' 1 1 DG O4' . 2.350 2.490 2.422 2.415 2.435 . 0 0 "[ . 1 .]" 1
2 1 1 DG C4' 1 1 DG O4' . . 1.500 1.420 1.419 1.421 . 0 0 "[ . 1 .]" 1
3 1 1 DG H4' 1 1 DG O4' . . 2.190 2.060 2.043 2.068 . 0 0 "[ . 1 .]" 1
4 1 1 DG C3' 1 1 DG O4' . 2.240 2.430 2.362 2.354 2.383 . 0 0 "[ . 1 .]" 1
5 1 1 DG H2'' 1 1 DG H3' . 2.590 3.190 2.643 2.624 2.672 . 0 0 "[ . 1 .]" 1
6 1 1 DG H2' 1 1 DG H3' . 2.010 2.610 2.320 2.269 2.341 . 0 0 "[ . 1 .]" 1
7 1 1 DG H1' 1 1 DG H3' . 3.370 4.210 3.852 3.812 3.922 . 0 0 "[ . 1 .]" 1
8 1 1 DG H3' 1 1 DG H8 . 3.310 3.910 4.148 3.966 4.249 0.339 13 0 "[ . 1 .]" 1
9 1 1 DG H3' 1 2 DC H5 . 3.910 5.010 5.099 5.042 5.317 0.307 11 0 "[ . 1 .]" 1
10 1 1 DG H3' 1 2 DC H6 . 3.630 5.060 4.723 4.697 4.763 . 0 0 "[ . 1 .]" 1
11 1 1 DG H1' 1 1 DG H2' . 2.330 2.930 2.987 2.976 2.992 0.062 14 0 "[ . 1 .]" 1
12 1 1 DG H2' 1 1 DG H8 . 2.180 2.780 2.193 2.177 2.205 0.003 15 0 "[ . 1 .]" 1
13 1 1 DG H2' 1 2 DC H5 . 2.930 3.530 3.036 2.983 3.140 . 0 0 "[ . 1 .]" 1
14 1 1 DG H2' 1 2 DC H6 . 2.580 3.180 3.371 3.261 3.441 0.261 13 0 "[ . 1 .]" 1
15 1 1 DG H1' 1 1 DG H2'' . 2.260 2.860 2.335 2.305 2.354 . 0 0 "[ . 1 .]" 1
16 1 1 DG H2'' 1 1 DG H8 . 2.440 3.640 3.662 3.629 3.703 0.063 11 0 "[ . 1 .]" 1
17 1 1 DG H2'' 1 2 DC H5 . 2.900 3.500 2.981 2.870 3.266 0.030 13 0 "[ . 1 .]" 1
18 1 1 DG H2'' 1 2 DC H6 . 2.140 3.140 2.087 2.077 2.101 0.063 14 0 "[ . 1 .]" 1
19 1 1 DG H1' 1 1 DG H8 . 3.510 4.130 3.880 3.872 3.885 . 0 0 "[ . 1 .]" 1
20 1 1 DG H1' 1 2 DC H2' . 2.700 4.080 4.169 4.152 4.215 0.135 13 0 "[ . 1 .]" 1
21 1 1 DG H1' 1 2 DC H5 . 2.720 4.120 4.122 4.011 4.144 0.024 13 0 "[ . 1 .]" 1
22 1 1 DG H1' 1 2 DC H6 . 2.820 3.420 2.853 2.805 2.915 0.015 10 0 "[ . 1 .]" 1
23 1 1 DG H8 1 2 DC H5 . 3.460 4.360 3.477 3.445 3.536 0.015 3 0 "[ . 1 .]" 1
24 1 2 DC C5' 1 2 DC O4' . 2.350 2.490 2.433 2.429 2.436 . 0 0 "[ . 1 .]" 1
25 1 2 DC C4' 1 2 DC O4' . . 1.500 1.419 1.419 1.420 . 0 0 "[ . 1 .]" 1
26 1 2 DC H3' 1 2 DC H4' . 2.230 2.830 2.852 2.842 2.866 0.036 11 0 "[ . 1 .]" 1
27 1 2 DC H2' 1 2 DC H4' . 3.240 3.980 3.774 3.766 3.786 . 0 0 "[ . 1 .]" 1
28 1 2 DC H1' 1 2 DC H4' . 2.400 3.100 2.989 2.892 3.032 . 0 0 "[ . 1 .]" 1
29 1 2 DC H4' 1 2 DC O4' . . 2.190 2.043 2.039 2.046 . 0 0 "[ . 1 .]" 1
30 1 2 DC H4' 1 2 DC H6 . 3.150 4.650 4.528 4.464 4.638 . 0 0 "[ . 1 .]" 1
31 1 2 DC C3' 1 2 DC O4' . 2.240 2.430 2.385 2.383 2.388 . 0 0 "[ . 1 .]" 1
32 1 2 DC H2'' 1 2 DC H3' . . 2.570 2.681 2.673 2.690 0.120 5 0 "[ . 1 .]" 1
33 1 2 DC H3' 1 2 DC H6 . 3.000 4.000 4.061 4.042 4.083 0.083 11 0 "[ . 1 .]" 1
34 1 2 DC H3' 1 3 DA H8 . 3.880 5.390 5.017 4.870 5.285 . 0 0 "[ . 1 .]" 1
35 1 2 DC H1' 1 2 DC H2' . 2.400 4.080 3.047 3.043 3.051 . 0 0 "[ . 1 .]" 1
36 1 2 DC H2' 1 2 DC H5 . 2.930 4.190 4.255 4.243 4.269 0.079 9 0 "[ . 1 .]" 1
37 1 2 DC H2' 1 2 DC H6 . . 2.520 2.110 2.075 2.146 . 0 0 "[ . 1 .]" 1
38 1 2 DC H2' 1 3 DA H8 . 3.370 4.460 4.385 4.127 4.470 0.010 5 0 "[ . 1 .]" 1
39 1 2 DC H1' 1 2 DC H2'' . . 2.490 2.446 2.441 2.454 . 0 0 "[ . 1 .]" 1
40 1 2 DC H2'' 1 2 DC H6 . 2.300 4.570 3.534 3.469 3.598 . 0 0 "[ . 1 .]" 1
41 1 2 DC H2'' 1 3 DA H8 . 2.680 3.280 2.669 2.649 2.720 0.031 12 0 "[ . 1 .]" 1
42 1 2 DC H1' 1 2 DC H6 . 2.220 3.620 3.684 3.679 3.693 0.073 11 0 "[ . 1 .]" 1
43 1 2 DC H1' 1 3 DA H8 . 3.170 3.770 3.580 3.474 3.671 . 0 0 "[ . 1 .]" 1
44 1 2 DC O2 2 11 DG N2 . . 2.960 2.938 2.913 2.970 0.010 5 0 "[ . 1 .]" 1
45 1 2 DC N3 2 11 DG N1 . . 3.050 2.977 2.944 3.000 . 0 0 "[ . 1 .]" 1
46 1 2 DC N4 2 11 DG O6 . . 3.010 2.928 2.900 2.970 . 0 0 "[ . 1 .]" 1
47 1 3 DA C5' 1 3 DA O4' . 2.350 2.490 2.428 2.424 2.433 . 0 0 "[ . 1 .]" 1
48 1 3 DA C4' 1 3 DA O4' . . 1.500 1.418 1.414 1.420 . 0 0 "[ . 1 .]" 1
49 1 3 DA H3' 1 3 DA H4' . 2.370 2.970 2.834 2.813 2.913 . 0 0 "[ . 1 .]" 1
50 1 3 DA Q2' 1 3 DA H4' . 3.450 4.050 3.490 3.428 3.501 0.022 3 0 "[ . 1 .]" 1
51 1 3 DA H1' 1 3 DA H4' . 2.800 3.500 3.274 2.956 3.345 . 0 0 "[ . 1 .]" 1
52 1 3 DA H4' 1 3 DA O4' . . 2.190 2.033 2.007 2.037 . 0 0 "[ . 1 .]" 1
53 1 3 DA H4' 1 3 DA H8 . 4.000 4.600 4.649 4.632 4.694 0.094 3 0 "[ . 1 .]" 1
54 1 3 DA C3' 1 3 DA O4' . 2.240 2.430 2.396 2.394 2.400 . 0 0 "[ . 1 .]" 1
55 1 3 DA Q2' 1 3 DA H3' . 2.350 2.930 2.184 2.179 2.190 0.171 3 0 "[ . 1 .]" 1
56 1 3 DA H1' 1 3 DA H3' . 3.150 3.950 3.891 3.856 3.912 . 0 0 "[ . 1 .]" 1
57 1 3 DA H3' 1 3 DA H8 . 3.130 3.930 3.991 3.973 4.007 0.077 15 0 "[ . 1 .]" 1
58 1 3 DA H3' 1 4 DT M7 . 4.320 5.420 4.270 4.174 4.368 0.146 13 0 "[ . 1 .]" 1
59 1 3 DA H3' 1 4 DT H6 . 3.690 4.890 4.967 4.951 4.978 0.088 12 0 "[ . 1 .]" 1
60 1 3 DA H1' 1 3 DA Q2' . 2.400 2.720 2.282 2.273 2.294 0.127 1 0 "[ . 1 .]" 1
61 1 3 DA Q2' 1 4 DT M7 . 3.660 4.200 2.360 2.226 2.453 1.434 13 15 [************+-*] 1
62 1 3 DA Q2' 1 4 DT H6 . 2.920 3.040 2.298 2.271 2.308 0.649 3 15 [**+********-***] 1
63 1 3 DA H1' 1 3 DA H2 . 4.090 4.690 4.654 4.637 4.675 . 0 0 "[ . 1 .]" 1
64 1 3 DA H1' 1 3 DA H8 . 3.150 3.750 3.831 3.818 3.835 0.085 13 0 "[ . 1 .]" 1
65 1 3 DA H1' 1 4 DT H4' . 2.780 3.780 3.862 3.840 3.999 0.219 3 0 "[ . 1 .]" 1
66 1 3 DA H1' 1 4 DT M7 . 4.230 5.130 4.174 4.115 4.213 0.115 13 0 "[ . 1 .]" 1
67 1 3 DA H1' 1 4 DT H6 . 2.990 3.590 3.618 3.605 3.632 0.042 3 0 "[ . 1 .]" 1
68 1 3 DA H2 1 4 DT H1' . 3.390 3.990 3.967 3.910 4.007 0.017 1 0 "[ . 1 .]" 1
69 1 3 DA N1 2 10 DT N3 . . 2.920 2.965 2.942 2.990 0.070 13 0 "[ . 1 .]" 1
70 1 3 DA N6 2 10 DT O4 . . 3.050 2.909 2.891 2.947 . 0 0 "[ . 1 .]" 1
71 1 3 DA H8 1 4 DT M7 . 3.210 4.110 2.950 2.784 3.158 0.426 7 0 "[ . 1 .]" 1
72 1 4 DT C5' 1 4 DT O4' . 2.350 2.490 2.415 2.408 2.420 . 0 0 "[ . 1 .]" 1
73 1 4 DT C4' 1 4 DT O4' . . 1.500 1.414 1.413 1.416 . 0 0 "[ . 1 .]" 1
74 1 4 DT H2' 1 4 DT H4' . 2.800 3.800 3.823 3.818 3.832 0.032 14 0 "[ . 1 .]" 1
75 1 4 DT H1' 1 4 DT H4' . 2.310 2.910 2.624 2.582 2.673 . 0 0 "[ . 1 .]" 1
76 1 4 DT H4' 1 4 DT O4' . . 2.190 2.017 2.011 2.021 . 0 0 "[ . 1 .]" 1
77 1 4 DT H4' 1 4 DT H6 . 3.240 4.640 4.552 4.507 4.574 . 0 0 "[ . 1 .]" 1
78 1 4 DT C3' 1 4 DT O4' . 2.240 2.430 2.380 2.377 2.384 . 0 0 "[ . 1 .]" 1
79 1 4 DT H2' 1 4 DT H3' . 2.120 2.720 2.229 2.215 2.242 . 0 0 "[ . 1 .]" 1
80 1 4 DT H1' 1 4 DT H3' . 3.240 4.160 3.805 3.789 3.823 . 0 0 "[ . 1 .]" 1
81 1 4 DT H3' 1 4 DT H6 . 2.950 3.950 3.833 3.773 3.918 . 0 0 "[ . 1 .]" 1
82 1 4 DT H3' 1 5 DC H6 . 3.650 4.490 4.531 4.506 4.548 0.058 13 0 "[ . 1 .]" 1
83 1 4 DT H1' 1 4 DT H2' . 2.420 3.020 3.041 3.039 3.043 0.023 13 0 "[ . 1 .]" 1
84 1 4 DT H2' 1 4 DT M7 . 3.380 5.080 4.031 3.984 4.083 . 0 0 "[ . 1 .]" 1
85 1 4 DT H2' 1 4 DT H6 . 2.070 2.670 2.256 2.231 2.301 . 0 0 "[ . 1 .]" 1
86 1 4 DT H2' 1 5 DC H5 . 2.920 3.520 2.886 2.864 2.905 0.056 1 0 "[ . 1 .]" 1
87 1 4 DT H2' 1 5 DC H6 . 3.170 4.030 3.277 3.196 3.368 . 0 0 "[ . 1 .]" 1
88 1 4 DT H1' 1 4 DT H2'' . 2.040 2.640 2.372 2.364 2.380 . 0 0 "[ . 1 .]" 1
89 1 4 DT H2'' 1 4 DT H6 . 2.780 3.580 3.692 3.665 3.737 0.157 14 0 "[ . 1 .]" 1
90 1 4 DT H2'' 1 5 DC H6 . 2.170 3.070 2.269 2.217 2.318 . 0 0 "[ . 1 .]" 1
91 1 4 DT H1' 1 4 DT H6 . 3.100 3.700 3.698 3.687 3.706 0.006 13 0 "[ . 1 .]" 1
92 1 4 DT H1' 1 5 DC H6 . 3.670 4.850 4.365 4.275 4.451 . 0 0 "[ . 1 .]" 1
93 1 4 DT N3 2 9 DA N1 . . 2.920 2.918 2.904 2.929 0.009 3 0 "[ . 1 .]" 1
94 1 4 DT O4 2 9 DA N6 . . 3.050 2.907 2.868 2.935 . 0 0 "[ . 1 .]" 1
95 1 4 DT M7 1 5 DC H5 . 4.230 5.130 4.157 3.995 4.205 0.235 3 0 "[ . 1 .]" 1
96 1 4 DT H6 1 5 DC H5 . 3.440 4.040 3.834 3.755 3.916 . 0 0 "[ . 1 .]" 1
97 1 5 DC C5' 1 5 DC O4' . 2.350 2.490 2.405 2.395 2.412 . 0 0 "[ . 1 .]" 1
98 1 5 DC C4' 1 5 DC O4' . . 1.500 1.417 1.415 1.419 . 0 0 "[ . 1 .]" 1
99 1 5 DC H3' 1 5 DC H4' . 2.050 2.650 2.800 2.780 2.840 0.190 4 0 "[ . 1 .]" 1
100 1 5 DC H1' 1 5 DC H4' . 2.670 3.270 3.030 2.915 3.092 . 0 0 "[ . 1 .]" 1
101 1 5 DC H4' 1 5 DC O4' . . 2.190 2.058 2.052 2.062 . 0 0 "[ . 1 .]" 1
102 1 5 DC C3' 1 5 DC O4' . 2.240 2.430 2.388 2.384 2.392 . 0 0 "[ . 1 .]" 1
103 1 5 DC H2' 1 5 DC H3' . 2.300 2.900 2.303 2.292 2.319 0.008 5 0 "[ . 1 .]" 1
104 1 5 DC H1' 1 5 DC H3' . 3.730 4.420 3.742 3.728 3.759 0.002 11 0 "[ . 1 .]" 1
105 1 5 DC H3' 1 5 DC H6 . 2.840 3.940 4.054 3.998 4.108 0.168 11 0 "[ . 1 .]" 1
106 1 5 DC H3' 1 6 DG H8 . 3.470 4.470 4.646 4.545 4.725 0.255 5 0 "[ . 1 .]" 1
107 1 5 DC H1' 1 5 DC H2' . 2.930 3.730 3.049 3.044 3.053 . 0 0 "[ . 1 .]" 1
108 1 5 DC H2' 1 5 DC H5 . 2.860 4.260 4.322 4.310 4.331 0.071 8 0 "[ . 1 .]" 1
109 1 5 DC H2' 1 5 DC H6 . 2.050 2.650 2.088 2.058 2.126 . 0 0 "[ . 1 .]" 1
110 1 5 DC H2' 1 6 DG H8 . 3.620 4.150 4.291 4.271 4.325 0.175 8 0 "[ . 1 .]" 1
111 1 5 DC H1' 1 5 DC H2'' . 2.270 2.870 2.386 2.363 2.417 . 0 0 "[ . 1 .]" 1
112 1 5 DC H2'' 1 6 DG H8 . 2.710 3.310 2.584 2.541 2.654 0.169 12 0 "[ . 1 .]" 1
113 1 5 DC H1' 1 6 DG H8 . 3.640 4.240 3.859 3.596 4.248 0.044 14 0 "[ . 1 .]" 1
114 1 5 DC O2 2 8 DG N2 . . 2.960 2.913 2.869 2.938 . 0 0 "[ . 1 .]" 1
115 1 5 DC N3 2 8 DG N1 . . 3.050 2.928 2.899 2.944 . 0 0 "[ . 1 .]" 1
116 1 5 DC N4 2 8 DG O6 . . 3.010 2.916 2.871 2.976 . 0 0 "[ . 1 .]" 1
117 1 6 DG C5' 1 6 DG O4' . 2.350 2.490 2.407 2.401 2.411 . 0 0 "[ . 1 .]" 1
118 1 6 DG C4' 1 6 DG O4' . . 1.500 1.416 1.415 1.417 . 0 0 "[ . 1 .]" 1
119 1 6 DG H2' 1 6 DG H4' . 3.360 4.420 3.869 3.851 3.923 . 0 0 "[ . 1 .]" 1
120 1 6 DG H2'' 1 6 DG H4' . 2.650 3.950 3.921 3.881 3.934 . 0 0 "[ . 1 .]" 1
121 1 6 DG H1' 1 6 DG H4' . 2.820 3.420 3.256 3.184 3.305 . 0 0 "[ . 1 .]" 1
122 1 6 DG H4' 1 6 DG O4' . . 2.190 2.020 2.018 2.025 . 0 0 "[ . 1 .]" 1
123 1 6 DG H4' 1 6 DG H8 . 2.940 4.540 4.657 4.612 4.738 0.198 13 0 "[ . 1 .]" 1
124 1 6 DG C3' 1 6 DG O4' . 2.240 2.430 2.404 2.401 2.408 . 0 0 "[ . 1 .]" 1
125 1 6 DG H2' 1 6 DG H3' . 2.320 3.290 2.307 2.289 2.333 0.031 3 0 "[ . 1 .]" 1
126 1 6 DG H1' 1 6 DG H3' . 3.320 4.010 3.934 3.914 3.977 . 0 0 "[ . 1 .]" 1
127 1 6 DG H1' 1 6 DG H2' . 2.840 4.440 3.033 3.013 3.041 . 0 0 "[ . 1 .]" 1
128 1 6 DG H3' 1 7 DA H8 . . 5.000 5.012 4.793 5.062 0.062 8 0 "[ . 1 .]" 1
129 1 6 DG H2' 1 7 DA H8 . . 3.800 3.724 3.410 3.870 0.070 13 0 "[ . 1 .]" 1
130 1 6 DG H1' 1 6 DG H2'' . 2.200 2.800 2.341 2.313 2.366 . 0 0 "[ . 1 .]" 1
131 1 6 DG H2'' 1 6 DG H8 . 2.690 3.890 3.820 3.799 3.860 . 0 0 "[ . 1 .]" 1
132 1 6 DG H2'' 1 7 DA H8 . 2.320 2.920 2.348 2.299 2.398 0.021 13 0 "[ . 1 .]" 1
133 1 6 DG H1' 1 6 DG H8 . 3.280 3.880 3.886 3.875 3.896 0.016 13 0 "[ . 1 .]" 1
134 1 6 DG H1' 1 7 DA H8 . 3.130 3.830 3.581 3.430 3.738 . 0 0 "[ . 1 .]" 1
135 1 6 DG H1 1 7 DA H2 . 4.500 5.200 4.624 4.484 4.913 0.016 4 0 "[ . 1 .]" 1
136 1 6 DG N2 2 7 DC O2 . . 2.960 2.972 2.947 3.002 0.042 3 0 "[ . 1 .]" 1
137 1 6 DG N1 2 7 DC N3 . . 3.050 2.939 2.887 2.974 . 0 0 "[ . 1 .]" 1
138 1 6 DG O6 2 7 DC N4 . . 3.010 2.873 2.833 2.912 . 0 0 "[ . 1 .]" 1
139 1 7 DA C5' 1 7 DA O4' . 2.350 2.490 2.406 2.397 2.415 . 0 0 "[ . 1 .]" 1
140 1 7 DA C4' 1 7 DA O4' . . 1.500 1.413 1.411 1.416 . 0 0 "[ . 1 .]" 1
141 1 7 DA H2' 1 7 DA H4' . 2.720 3.760 3.833 3.824 3.856 0.096 13 0 "[ . 1 .]" 1
142 1 7 DA H1' 1 7 DA H4' . 2.720 3.320 2.877 2.700 3.214 0.020 2 0 "[ . 1 .]" 1
143 1 7 DA H4' 1 7 DA O4' . . 2.190 2.025 2.021 2.034 . 0 0 "[ . 1 .]" 1
144 1 7 DA H4' 1 7 DA H8 . 4.290 4.890 4.741 4.679 4.830 . 0 0 "[ . 1 .]" 1
145 1 7 DA C3' 1 7 DA O4' . 2.240 2.430 2.392 2.375 2.410 . 0 0 "[ . 1 .]" 1
146 1 7 DA H1' 1 7 DA H3' . 3.500 4.410 3.887 3.873 3.916 . 0 0 "[ . 1 .]" 1
147 1 7 DA H2' 1 7 DA H3' . 2.200 2.800 2.218 2.199 2.228 0.001 3 0 "[ . 1 .]" 1
148 1 7 DA H3' 1 7 DA H8 . 3.330 3.930 3.933 3.759 3.991 0.061 14 0 "[ . 1 .]" 1
149 1 7 DA H3' 1 8 DA H8 . 3.470 4.070 4.151 4.135 4.220 0.150 3 0 "[ . 1 .]" 1
150 1 7 DA H1' 1 7 DA H2' . 2.810 3.410 3.027 3.012 3.036 . 0 0 "[ . 1 .]" 1
151 1 7 DA H2' 1 7 DA H8 . 2.290 2.890 2.399 2.287 2.615 0.003 13 0 "[ . 1 .]" 1
152 1 7 DA H2' 1 8 DA H8 . 3.250 4.000 3.417 3.219 3.607 0.031 4 0 "[ . 1 .]" 1
153 1 7 DA H1' 1 7 DA H2'' . 2.160 2.760 2.353 2.301 2.388 . 0 0 "[ . 1 .]" 1
154 1 7 DA H2'' 1 7 DA H8 . 2.670 3.770 3.883 3.804 4.066 0.296 2 0 "[ . 1 .]" 1
155 1 7 DA H2'' 1 8 DA H8 . 2.310 2.910 2.436 2.418 2.509 . 0 0 "[ . 1 .]" 1
156 1 7 DA H1' 1 7 DA H2 . 4.030 4.630 4.614 4.590 4.627 . 0 0 "[ . 1 .]" 1
157 1 7 DA H1' 1 7 DA H8 . 3.250 3.850 3.877 3.864 3.903 0.053 13 0 "[ . 1 .]" 1
158 1 7 DA H1' 1 8 DA H8 . 4.080 4.670 4.678 4.670 4.685 0.015 8 0 "[ . 1 .]" 1
159 1 7 DA H1' 1 8 DA H4' . 4.000 5.000 5.039 5.021 5.064 0.064 13 0 "[ . 1 .]" 1
160 1 8 DA C5' 1 8 DA O4' . 2.350 2.490 2.415 2.405 2.420 . 0 0 "[ . 1 .]" 1
161 1 8 DA C4' 1 8 DA O4' . . 1.500 1.418 1.414 1.420 . 0 0 "[ . 1 .]" 1
162 1 8 DA H3' 1 8 DA H4' . 2.350 2.950 2.816 2.803 2.846 . 0 0 "[ . 1 .]" 1
163 1 8 DA H2' 1 8 DA H4' . 3.310 4.710 3.874 3.853 3.918 . 0 0 "[ . 1 .]" 1
164 1 8 DA H1' 1 8 DA H4' . 2.990 3.590 3.380 3.330 3.405 . 0 0 "[ . 1 .]" 1
165 1 8 DA H4' 1 8 DA O4' . . 2.190 2.045 2.032 2.051 . 0 0 "[ . 1 .]" 1
166 1 8 DA H4' 1 8 DA H8 . 4.230 5.020 4.842 4.805 4.896 . 0 0 "[ . 1 .]" 1
167 1 8 DA C3' 1 8 DA O4' . 2.240 2.430 2.388 2.385 2.393 . 0 0 "[ . 1 .]" 1
168 1 8 DA H1' 1 8 DA H3' . 3.410 5.310 3.851 3.826 3.912 . 0 0 "[ . 1 .]" 1
169 1 8 DA H2' 1 8 DA H3' . . 2.860 2.310 2.269 2.325 . 0 0 "[ . 1 .]" 1
170 1 8 DA H3' 1 8 DA H8 . 3.700 4.390 4.216 4.010 4.279 . 0 0 "[ . 1 .]" 1
171 1 8 DA H3' 1 9 DA H8 . 3.810 5.250 4.690 4.558 5.015 . 0 0 "[ . 1 .]" 1
172 1 8 DA H1' 1 8 DA H2' . 2.920 3.810 3.006 2.995 3.019 . 0 0 "[ . 1 .]" 1
173 1 8 DA H2' 1 8 DA H8 . 2.170 2.770 2.321 2.257 2.367 . 0 0 "[ . 1 .]" 1
174 1 8 DA H1' 1 8 DA H2'' . . 2.840 2.304 2.277 2.342 . 0 0 "[ . 1 .]" 1
175 1 8 DA H2'' 1 8 DA H8 . 3.680 5.080 3.787 3.695 3.829 . 0 0 "[ . 1 .]" 1
176 1 8 DA H2'' 1 9 DA H8 . 2.520 3.820 2.430 2.419 2.457 0.101 10 0 "[ . 1 .]" 1
177 1 8 DA H1' 1 8 DA H8 . 3.090 3.690 3.904 3.891 3.912 0.222 12 0 "[ . 1 .]" 1
178 1 8 DA H1' 1 9 DA H8 . 3.820 4.820 4.115 3.801 4.237 0.019 3 0 "[ . 1 .]" 1
179 1 8 DA H1' 1 8 DA H2 . . 5.000 4.569 4.555 4.592 . 0 0 "[ . 1 .]" 1
180 1 8 DA H2' 1 9 DA H8 . . 4.000 3.113 2.924 3.653 . 0 0 "[ . 1 .]" 1
181 1 8 DA H1' 1 9 DA H4' . 4.000 5.000 4.093 3.986 4.436 0.014 14 0 "[ . 1 .]" 1
182 1 9 DA C5' 1 9 DA O4' . 2.350 2.490 2.411 2.396 2.418 . 0 0 "[ . 1 .]" 1
183 1 9 DA C4' 1 9 DA O4' . . 1.500 1.417 1.416 1.418 . 0 0 "[ . 1 .]" 1
184 1 9 DA H1' 1 9 DA H4' . 2.790 3.390 2.858 2.787 2.990 0.003 14 0 "[ . 1 .]" 1
185 1 9 DA H4' 1 9 DA O4' . . 2.190 2.043 2.039 2.049 . 0 0 "[ . 1 .]" 1
186 1 9 DA C3' 1 9 DA O4' . 2.240 2.430 2.386 2.383 2.389 . 0 0 "[ . 1 .]" 1
187 1 9 DA H1' 1 9 DA H2' . 2.510 3.910 3.032 3.029 3.037 . 0 0 "[ . 1 .]" 1
188 1 9 DA H2' 1 9 DA H8 . 2.210 2.810 2.293 2.252 2.317 . 0 0 "[ . 1 .]" 1
189 1 9 DA H1' 1 9 DA H2'' . 2.350 2.950 2.400 2.393 2.407 . 0 0 "[ . 1 .]" 1
190 1 9 DA H2'' 1 9 DA H8 . 2.200 3.600 3.551 3.515 3.613 0.013 14 0 "[ . 1 .]" 1
191 1 9 DA H1' 1 9 DA H8 . 3.210 3.810 3.895 3.890 3.897 0.087 11 0 "[ . 1 .]" 1
192 1 9 DA H1' 1 9 DA H2 . . 5.000 4.533 4.521 4.552 . 0 0 "[ . 1 .]" 1
193 1 9 DA H1' 1 10 DA H8 . 3.980 4.680 4.119 3.982 4.205 . 0 0 "[ . 1 .]" 1
194 1 9 DA H2' 1 10 DA H8 . 3.500 4.500 4.257 4.148 4.420 . 0 0 "[ . 1 .]" 1
195 1 9 DA H2'' 1 10 DA H8 . 3.000 4.000 2.932 2.925 2.945 0.075 9 0 "[ . 1 .]" 1
196 1 9 DA H1' 1 10 DA H4' . 3.900 4.890 4.485 4.138 4.671 . 0 0 "[ . 1 .]" 1
197 1 10 DA C5' 1 10 DA O4' . 2.350 2.490 2.409 2.397 2.421 . 0 0 "[ . 1 .]" 1
198 1 10 DA C4' 1 10 DA O4' . . 1.500 1.416 1.414 1.417 . 0 0 "[ . 1 .]" 1
199 1 10 DA H4' 1 10 DA O4' . . 2.190 2.033 2.030 2.039 . 0 0 "[ . 1 .]" 1
200 1 10 DA C3' 1 10 DA O4' . 2.240 2.430 2.388 2.384 2.392 . 0 0 "[ . 1 .]" 1
201 1 10 DA Q2' 1 10 DA H8 . 2.210 2.810 2.198 2.173 2.235 0.037 15 0 "[ . 1 .]" 1
202 1 10 DA H1' 1 10 DA Q2' . 2.220 3.090 2.307 2.295 2.323 . 0 0 "[ . 1 .]" 1
203 1 10 DA H1' 1 10 DA H8 . 3.320 3.920 3.849 3.846 3.858 . 0 0 "[ . 1 .]" 1
204 1 10 DA H1' 1 10 DA H2 . . 4.880 4.554 4.534 4.568 . 0 0 "[ . 1 .]" 1
205 1 10 DA H4' 1 10 DA H8 . 3.900 4.860 4.966 4.926 5.038 0.178 15 0 "[ . 1 .]" 1
206 1 10 DA H1' 1 10 DA H4' . 2.800 3.550 2.767 2.745 2.784 0.055 4 0 "[ . 1 .]" 1
207 1 10 DA H1' 1 11 DA H8 . 3.910 4.510 3.852 3.837 3.870 0.073 1 0 "[ . 1 .]" 1
208 1 11 DA C5' 1 11 DA O4' . 2.350 2.490 2.422 2.411 2.428 . 0 0 "[ . 1 .]" 1
209 1 11 DA C4' 1 11 DA O4' . . 1.500 1.421 1.420 1.422 . 0 0 "[ . 1 .]" 1
210 1 11 DA H1' 1 11 DA H4' . 2.960 3.660 3.157 3.124 3.237 . 0 0 "[ . 1 .]" 1
211 1 11 DA H4' 1 11 DA O4' . . 2.190 2.048 2.045 2.052 . 0 0 "[ . 1 .]" 1
212 1 11 DA H4' 1 11 DA H8 . 4.430 5.250 4.968 4.928 4.999 . 0 0 "[ . 1 .]" 1
213 1 11 DA C3' 1 11 DA O4' . 2.240 2.430 2.389 2.387 2.391 . 0 0 "[ . 1 .]" 1
214 1 11 DA Q2' 1 11 DA H3' . 2.030 2.630 2.187 2.176 2.193 . 0 0 "[ . 1 .]" 1
215 1 11 DA H1' 1 11 DA H3' . 3.750 4.470 3.809 3.795 3.827 . 0 0 "[ . 1 .]" 1
216 1 11 DA H3' 1 11 DA H8 . 3.530 4.610 4.296 4.254 4.332 . 0 0 "[ . 1 .]" 1
217 1 11 DA Q2' 1 11 DA H8 . . 2.540 2.257 2.235 2.282 . 0 0 "[ . 1 .]" 1
218 1 11 DA Q2' 1 12 DG H8 . 4.500 5.000 3.398 3.218 3.776 1.282 3 15 [**+*********-**] 1
219 1 11 DA H1' 1 11 DA H8 . 3.230 3.830 3.900 3.897 3.904 0.074 3 0 "[ . 1 .]" 1
220 1 11 DA H1' 1 12 DG H3' . 3.460 4.860 4.939 4.925 4.957 0.097 3 0 "[ . 1 .]" 1
221 1 11 DA H1' 1 12 DG H8 . 3.780 4.380 3.939 3.848 4.092 . 0 0 "[ . 1 .]" 1
222 1 11 DA H1' 1 11 DA H2 . 4.000 4.850 4.611 4.602 4.622 . 0 0 "[ . 1 .]" 1
223 1 11 DA H2 1 12 DG H1 . . 4.500 4.553 4.540 4.563 0.063 14 0 "[ . 1 .]" 1
224 1 12 DG C5' 1 12 DG O4' . 2.350 2.490 2.464 2.455 2.470 . 0 0 "[ . 1 .]" 1
225 1 12 DG C4' 1 12 DG O4' . . 1.500 1.417 1.416 1.418 . 0 0 "[ . 1 .]" 1
226 1 12 DG H1' 1 12 DG H4' . 2.650 3.450 2.565 2.512 2.586 0.138 6 0 "[ . 1 .]" 1
227 1 12 DG H4' 1 12 DG O4' . . 2.190 2.022 2.020 2.024 . 0 0 "[ . 1 .]" 1
228 1 12 DG H4' 1 12 DG H8 . 4.240 5.610 4.925 4.889 4.971 . 0 0 "[ . 1 .]" 1
229 1 12 DG C3' 1 12 DG O4' . 2.240 2.430 2.359 2.356 2.360 . 0 0 "[ . 1 .]" 1
230 1 12 DG H1' 1 12 DG H3' . 3.220 3.820 3.777 3.751 3.799 . 0 0 "[ . 1 .]" 1
231 1 12 DG H3' 1 12 DG H8 . 3.330 4.030 4.097 4.065 4.125 0.095 6 0 "[ . 1 .]" 1
232 1 12 DG H3' 1 13 DC H5 . 4.090 5.090 5.150 5.118 5.193 0.103 4 0 "[ . 1 .]" 1
233 1 12 DG H3' 1 13 DC H6 . 3.680 4.680 4.755 4.749 4.764 0.084 15 0 "[ . 1 .]" 1
234 1 12 DG H2' 1 12 DG H8 . . 3.740 2.424 2.394 2.452 . 0 0 "[ . 1 .]" 1
235 1 12 DG H2' 1 13 DC H5 . 2.930 3.530 3.118 3.066 3.185 . 0 0 "[ . 1 .]" 1
236 1 12 DG H2' 1 13 DC H6 . 2.640 3.440 3.499 3.476 3.520 0.080 2 0 "[ . 1 .]" 1
237 1 12 DG H1' 1 12 DG H2'' . 2.370 2.770 2.357 2.349 2.364 0.021 13 0 "[ . 1 .]" 1
238 1 12 DG H2'' 1 12 DG H8 . 2.170 3.770 3.814 3.798 3.835 0.065 12 0 "[ . 1 .]" 1
239 1 12 DG H2'' 1 13 DC H5 . 2.690 4.740 2.915 2.847 3.012 . 0 0 "[ . 1 .]" 1
240 1 12 DG H2'' 1 13 DC H6 . 2.080 3.560 2.061 2.054 2.071 0.026 6 0 "[ . 1 .]" 1
241 1 12 DG H1' 1 12 DG H8 . 3.130 3.730 3.840 3.829 3.855 0.125 1 0 "[ . 1 .]" 1
242 1 12 DG H1' 1 13 DC H6 . 2.850 3.450 3.493 3.481 3.504 0.054 2 0 "[ . 1 .]" 1
243 1 12 DG N2 2 6 DC O2 . . 2.960 2.875 2.848 2.907 . 0 0 "[ . 1 .]" 1
244 1 12 DG N1 2 6 DC N3 . . 3.050 2.995 2.967 3.023 . 0 0 "[ . 1 .]" 1
245 1 12 DG O6 2 6 DC N4 . . 3.010 3.019 3.011 3.038 0.028 6 0 "[ . 1 .]" 1
246 1 12 DG H8 1 13 DC H5 . 3.550 4.150 3.749 3.618 3.855 . 0 0 "[ . 1 .]" 1
247 1 13 DC C5' 1 13 DC O4' . 2.350 2.490 2.406 2.372 2.423 . 0 0 "[ . 1 .]" 1
248 1 13 DC C4' 1 13 DC O4' . . 1.500 1.415 1.409 1.418 . 0 0 "[ . 1 .]" 1
249 1 13 DC H4' 1 13 DC O4' . . 2.190 2.032 2.028 2.038 . 0 0 "[ . 1 .]" 1
250 1 13 DC H4' 1 13 DC H6 . 2.750 4.350 4.386 4.367 4.400 0.050 4 0 "[ . 1 .]" 1
251 1 13 DC C3' 1 13 DC O4' . 2.240 2.430 2.392 2.377 2.399 . 0 0 "[ . 1 .]" 1
252 1 13 DC Q2' 1 13 DC H3' . 2.740 3.320 2.208 2.198 2.234 0.542 4 15 [***+********-**] 1
253 1 13 DC H1' 1 13 DC H3' . 3.900 5.500 3.874 3.841 3.926 0.059 9 0 "[ . 1 .]" 1
254 1 13 DC H3' 1 13 DC H6 . 2.940 3.940 3.834 3.548 3.976 0.036 9 0 "[ . 1 .]" 1
255 1 13 DC H3' 1 14 DT M7 . 4.380 5.280 3.907 3.426 4.175 0.954 1 5 "[+ -. * 1 * *]" 1
256 1 13 DC H1' 1 13 DC Q2' . 2.630 2.770 2.300 2.242 2.344 0.388 1 0 "[ . 1 .]" 1
257 1 13 DC Q2' 1 13 DC H5 . 2.930 4.260 4.217 4.124 4.384 0.124 15 0 "[ . 1 .]" 1
258 1 13 DC Q2' 1 14 DT M7 . 3.450 4.250 2.313 2.205 2.405 1.245 1 15 [+*****-********] 1
259 1 13 DC Q2' 1 14 DT H6 . 2.740 2.950 2.426 2.309 2.574 0.431 2 0 "[ . 1 .]" 1
260 1 13 DC H1' 1 13 DC H6 . 2.990 3.690 3.695 3.661 3.704 0.014 6 0 "[ . 1 .]" 1
261 1 13 DC H1' 1 14 DT M7 . 4.200 5.510 4.451 4.220 4.746 . 0 0 "[ . 1 .]" 1
262 1 13 DC H1' 1 14 DT H6 . 3.930 5.230 4.479 3.967 5.066 . 0 0 "[ . 1 .]" 1
263 1 13 DC O2 2 5 DG N2 . . 2.960 2.941 2.899 2.988 0.028 9 0 "[ . 1 .]" 1
264 1 13 DC N3 2 5 DG N1 . . 3.050 2.991 2.968 3.029 . 0 0 "[ . 1 .]" 1
265 1 13 DC N4 2 5 DG O6 . . 3.010 2.941 2.892 3.012 0.002 15 0 "[ . 1 .]" 1
266 1 13 DC H5 1 14 DT M7 . 3.990 4.890 3.725 3.374 3.811 0.616 15 1 "[ . 1 +]" 1
267 1 14 DT C5' 1 14 DT O4' . 2.350 2.490 2.409 2.404 2.416 . 0 0 "[ . 1 .]" 1
268 1 14 DT C4' 1 14 DT O4' . . 1.500 1.414 1.412 1.418 . 0 0 "[ . 1 .]" 1
269 1 14 DT H1' 1 14 DT H4' . 2.550 3.150 3.011 2.911 3.160 0.010 1 0 "[ . 1 .]" 1
270 1 14 DT H4' 1 14 DT O4' . . 2.190 2.031 2.024 2.041 . 0 0 "[ . 1 .]" 1
271 1 14 DT H4' 1 14 DT H6 . 3.200 4.600 4.651 4.629 4.680 0.080 12 0 "[ . 1 .]" 1
272 1 14 DT C3' 1 14 DT O4' . 2.240 2.430 2.396 2.390 2.402 . 0 0 "[ . 1 .]" 1
273 1 14 DT H2' 1 14 DT H3' . 2.240 2.840 2.252 2.216 2.306 0.024 11 0 "[ . 1 .]" 1
274 1 14 DT H2'' 1 14 DT H3' . . 2.910 2.742 2.725 2.760 . 0 0 "[ . 1 .]" 1
275 1 14 DT H1' 1 14 DT H3' . 3.090 4.370 3.828 3.817 3.843 . 0 0 "[ . 1 .]" 1
276 1 14 DT H3' 1 14 DT H6 . 2.970 3.770 3.836 3.810 3.860 0.090 3 0 "[ . 1 .]" 1
277 1 14 DT H3' 1 15 DA H8 . 3.880 4.680 4.746 4.698 4.769 0.089 11 0 "[ . 1 .]" 1
278 1 14 DT H2' 1 14 DT M7 . 3.050 4.650 3.817 3.764 3.871 . 0 0 "[ . 1 .]" 1
279 1 14 DT H2' 1 14 DT H6 . . 2.560 2.054 2.034 2.079 . 0 0 "[ . 1 .]" 1
280 1 14 DT H2' 1 15 DA H8 . 3.560 4.300 4.325 4.288 4.404 0.104 9 0 "[ . 1 .]" 1
281 1 14 DT H1' 1 14 DT H2'' . . 2.500 2.319 2.294 2.352 . 0 0 "[ . 1 .]" 1
282 1 14 DT H2'' 1 14 DT H6 . 2.640 3.440 3.472 3.444 3.496 0.056 9 0 "[ . 1 .]" 1
283 1 14 DT H2'' 1 15 DA H8 . 2.780 3.380 2.730 2.703 2.788 0.077 12 0 "[ . 1 .]" 1
284 1 14 DT H1' 1 14 DT H6 . 2.740 3.640 3.686 3.681 3.693 0.053 2 0 "[ . 1 .]" 1
285 1 14 DT H1' 1 15 DA H2 . 3.450 4.750 5.066 4.929 5.180 0.430 15 0 "[ . 1 .]" 1
286 1 14 DT H1' 1 15 DA H8 . 3.600 4.200 4.249 4.226 4.289 0.089 2 0 "[ . 1 .]" 1
287 1 14 DT N3 2 4 DA N1 . . 2.920 2.943 2.928 2.977 0.057 13 0 "[ . 1 .]" 1
288 1 14 DT O4 2 4 DA N6 . . 3.050 2.860 2.835 2.897 . 0 0 "[ . 1 .]" 1
289 1 15 DA C5' 1 15 DA O4' . 2.350 2.490 2.405 2.400 2.409 . 0 0 "[ . 1 .]" 1
290 1 15 DA C4' 1 15 DA O4' . . 1.500 1.418 1.416 1.419 . 0 0 "[ . 1 .]" 1
291 1 15 DA H3' 1 15 DA H4' . 2.490 3.090 2.801 2.797 2.806 . 0 0 "[ . 1 .]" 1
292 1 15 DA H2' 1 15 DA H4' . 3.170 3.770 3.822 3.816 3.826 0.056 14 0 "[ . 1 .]" 1
293 1 15 DA H2'' 1 15 DA H4' . 3.490 4.090 3.988 3.978 3.999 . 0 0 "[ . 1 .]" 1
294 1 15 DA H1' 1 15 DA H4' . 2.750 3.350 3.367 3.348 3.379 0.029 2 0 "[ . 1 .]" 1
295 1 15 DA H4' 1 15 DA O4' . . 2.190 2.034 2.030 2.038 . 0 0 "[ . 1 .]" 1
296 1 15 DA H4' 1 15 DA H8 . 4.050 4.770 4.840 4.830 4.852 0.082 11 0 "[ . 1 .]" 1
297 1 15 DA C3' 1 15 DA O4' . 2.240 2.430 2.398 2.394 2.402 . 0 0 "[ . 1 .]" 1
298 1 15 DA H2' 1 15 DA H3' . . 2.530 2.237 2.233 2.241 . 0 0 "[ . 1 .]" 1
299 1 15 DA H2'' 1 15 DA H3' . 2.330 2.930 2.716 2.700 2.727 . 0 0 "[ . 1 .]" 1
300 1 15 DA H1' 1 15 DA H3' . 3.420 4.020 3.886 3.871 3.898 . 0 0 "[ . 1 .]" 1
301 1 15 DA H3' 1 15 DA H8 . 3.170 3.970 4.009 3.992 4.030 0.060 9 0 "[ . 1 .]" 1
302 1 15 DA H3' 1 16 DC H6 . 3.830 4.540 4.625 4.617 4.633 0.093 8 0 "[ . 1 .]" 1
303 1 15 DA H1' 1 15 DA H2' . 2.330 2.930 2.998 2.993 3.002 0.072 11 0 "[ . 1 .]" 1
304 1 15 DA H2' 1 15 DA H8 . . 2.530 2.138 2.131 2.146 . 0 0 "[ . 1 .]" 1
305 1 15 DA H2' 1 16 DC H5 . 2.890 3.490 3.204 3.091 3.271 . 0 0 "[ . 1 .]" 1
306 1 15 DA H2' 1 16 DC H6 . 2.840 3.440 3.193 3.134 3.315 . 0 0 "[ . 1 .]" 1
307 1 15 DA H1' 1 15 DA H2'' . 2.180 2.780 2.312 2.303 2.317 . 0 0 "[ . 1 .]" 1
308 1 15 DA H2'' 1 15 DA H8 . 2.750 3.550 3.605 3.598 3.615 0.065 10 0 "[ . 1 .]" 1
309 1 15 DA H2'' 1 16 DC H5 . 3.120 3.720 3.452 3.258 3.564 . 0 0 "[ . 1 .]" 1
310 1 15 DA H2'' 1 16 DC H6 . 2.160 3.160 2.146 2.129 2.156 0.031 11 0 "[ . 1 .]" 1
311 1 15 DA H1' 1 15 DA H2 . 4.040 4.640 4.641 4.633 4.648 0.008 9 0 "[ . 1 .]" 1
312 1 15 DA H1' 1 15 DA H8 . 3.210 3.810 3.850 3.844 3.855 0.045 9 0 "[ . 1 .]" 1
313 1 15 DA H1' 1 16 DC H5 . 3.280 4.680 4.691 4.538 4.745 0.065 7 0 "[ . 1 .]" 1
314 1 15 DA H1' 1 16 DC H6 . 3.090 3.690 3.718 3.698 3.736 0.046 14 0 "[ . 1 .]" 1
315 1 15 DA N1 2 3 DT N3 . . 2.920 2.965 2.949 2.979 0.059 4 0 "[ . 1 .]" 1
316 1 15 DA N6 2 3 DT O4 . . 3.050 2.908 2.851 2.936 . 0 0 "[ . 1 .]" 1
317 1 15 DA H8 1 16 DC H5 . 3.320 3.920 3.304 3.267 3.457 0.053 7 0 "[ . 1 .]" 1
318 1 16 DC C5' 1 16 DC O4' . 2.350 2.490 2.406 2.401 2.413 . 0 0 "[ . 1 .]" 1
319 1 16 DC C4' 1 16 DC O4' . . 1.500 1.416 1.414 1.419 . 0 0 "[ . 1 .]" 1
320 1 16 DC H3' 1 16 DC H4' . 2.210 2.810 2.889 2.870 2.911 0.101 10 0 "[ . 1 .]" 1
321 1 16 DC H2'' 1 16 DC H4' . 2.860 3.850 3.767 3.659 3.844 . 0 0 "[ . 1 .]" 1
322 1 16 DC H1' 1 16 DC H4' . 2.380 2.980 2.800 2.745 2.885 . 0 0 "[ . 1 .]" 1
323 1 16 DC H4' 1 16 DC O4' . . 2.190 2.046 2.040 2.052 . 0 0 "[ . 1 .]" 1
324 1 16 DC H4' 1 16 DC H6 . 3.330 4.730 4.735 4.699 4.759 0.029 15 0 "[ . 1 .]" 1
325 1 16 DC C3' 1 16 DC O4' . 2.240 2.430 2.390 2.386 2.397 . 0 0 "[ . 1 .]" 1
326 1 16 DC H2' 1 16 DC H3' . 2.340 2.940 2.288 2.276 2.295 0.064 10 0 "[ . 1 .]" 1
327 1 16 DC H2'' 1 16 DC H3' . 2.180 2.780 2.801 2.777 2.820 0.040 14 0 "[ . 1 .]" 1
328 1 16 DC H3' 1 16 DC H6 . 3.000 3.900 3.917 3.826 3.959 0.059 11 0 "[ . 1 .]" 1
329 1 16 DC H3' 1 17 DG H8 . 3.570 4.170 4.256 4.222 4.405 0.235 5 0 "[ . 1 .]" 1
330 1 16 DC H1' 1 16 DC H2' . 2.880 3.480 3.029 3.017 3.042 . 0 0 "[ . 1 .]" 1
331 1 16 DC H2' 1 16 DC H5 . 2.890 4.260 4.282 4.268 4.300 0.040 11 0 "[ . 1 .]" 1
332 1 16 DC H2' 1 16 DC H6 . 2.130 2.730 2.117 2.101 2.140 0.029 13 0 "[ . 1 .]" 1
333 1 16 DC H2' 1 17 DG H8 . 3.100 3.700 3.430 3.037 3.698 0.063 9 0 "[ . 1 .]" 1
334 1 16 DC H1' 1 16 DC H2'' . 2.020 2.620 2.286 2.233 2.328 . 0 0 "[ . 1 .]" 1
335 1 16 DC H2'' 1 16 DC H6 . 2.870 3.470 3.534 3.512 3.587 0.117 10 0 "[ . 1 .]" 1
336 1 16 DC H2'' 1 17 DG H8 . 2.250 3.650 2.182 2.158 2.216 0.092 10 0 "[ . 1 .]" 1
337 1 16 DC H1' 1 16 DC H6 . 3.260 3.860 3.732 3.725 3.739 . 0 0 "[ . 1 .]" 1
338 1 16 DC H1' 1 17 DG H8 . 3.430 4.030 4.144 4.085 4.246 0.216 14 0 "[ . 1 .]" 1
339 1 16 DC O2 2 2 DG N2 . . 2.960 2.965 2.952 2.978 0.018 7 0 "[ . 1 .]" 1
340 1 16 DC N3 2 2 DG N1 . . 3.050 3.000 2.982 3.016 . 0 0 "[ . 1 .]" 1
341 1 16 DC N4 2 2 DG O6 . . 3.010 2.927 2.908 2.941 . 0 0 "[ . 1 .]" 1
342 1 17 DG C5' 1 17 DG O4' . 2.350 2.490 2.411 2.390 2.421 . 0 0 "[ . 1 .]" 1
343 1 17 DG C4' 1 17 DG O4' . . 1.500 1.415 1.411 1.417 . 0 0 "[ . 1 .]" 1
344 1 17 DG H3' 1 17 DG H4' . 2.610 3.210 2.822 2.799 2.893 . 0 0 "[ . 1 .]" 1
345 1 17 DG H1' 1 17 DG H4' . 2.690 3.490 3.221 2.943 3.309 . 0 0 "[ . 1 .]" 1
346 1 17 DG H4' 1 17 DG O4' . . 2.190 2.035 2.024 2.042 . 0 0 "[ . 1 .]" 1
347 1 17 DG H4' 1 17 DG H8 . 3.640 4.440 4.603 4.516 4.790 0.350 5 0 "[ . 1 .]" 1
348 1 17 DG C3' 1 17 DG O4' . 2.240 2.430 2.385 2.382 2.389 . 0 0 "[ . 1 .]" 1
349 1 17 DG H2' 1 17 DG H3' . 2.380 3.280 2.342 2.323 2.349 0.057 5 0 "[ . 1 .]" 1
350 1 17 DG H2'' 1 17 DG H3' . 2.330 2.930 2.741 2.727 2.785 . 0 0 "[ . 1 .]" 1
351 1 17 DG H1' 1 17 DG H3' . 3.540 4.140 3.876 3.865 3.890 . 0 0 "[ . 1 .]" 1
352 1 17 DG H3' 1 17 DG H8 . 3.050 4.050 4.132 4.101 4.175 0.125 3 0 "[ . 1 .]" 1
353 1 17 DG H1' 1 17 DG H2' . 2.090 2.990 3.040 3.037 3.044 0.054 9 0 "[ . 1 .]" 1
354 1 17 DG H2' 1 17 DG H8 . 2.370 3.370 2.374 2.316 2.438 0.054 6 0 "[ . 1 .]" 1
355 1 17 DG H1' 1 17 DG H2'' . 2.470 3.270 2.417 2.408 2.420 0.062 6 0 "[ . 1 .]" 1
356 1 17 DG H2'' 1 17 DG H8 . 2.070 3.870 3.871 3.807 3.922 0.052 3 0 "[ . 1 .]" 1
357 1 17 DG H1' 1 17 DG H8 . 3.260 3.860 3.856 3.845 3.875 0.015 6 0 "[ . 1 .]" 1
358 2 1 DC C5' 2 1 DC O4' . 2.350 2.490 2.418 2.407 2.430 . 0 0 "[ . 1 .]" 1
359 2 1 DC C4' 2 1 DC O4' . . 1.500 1.418 1.415 1.420 . 0 0 "[ . 1 .]" 1
360 2 1 DC H3' 2 1 DC H4' . 2.840 3.440 2.891 2.836 2.944 0.004 10 0 "[ . 1 .]" 1
361 2 1 DC H1' 2 1 DC H4' . 2.560 3.160 2.830 2.632 3.079 . 0 0 "[ . 1 .]" 1
362 2 1 DC H4' 2 1 DC O4' . . 2.190 2.044 2.033 2.057 . 0 0 "[ . 1 .]" 1
363 2 1 DC H4' 2 1 DC H6 . 3.720 4.520 4.533 4.454 4.556 0.036 14 0 "[ . 1 .]" 1
364 2 1 DC C3' 2 1 DC O4' . 2.240 2.430 2.389 2.382 2.399 . 0 0 "[ . 1 .]" 1
365 2 1 DC H2' 2 1 DC H3' . 2.420 3.020 2.352 2.342 2.363 0.078 3 0 "[ . 1 .]" 1
366 2 1 DC H2'' 2 1 DC H3' . 2.790 3.790 2.815 2.782 2.851 0.008 10 0 "[ . 1 .]" 1
367 2 1 DC H1' 2 1 DC H3' . 3.890 5.300 3.813 3.802 3.827 0.088 2 0 "[ . 1 .]" 1
368 2 1 DC H3' 2 1 DC H6 . 3.420 4.020 4.061 4.016 4.092 0.072 2 0 "[ . 1 .]" 1
369 2 1 DC H3' 2 2 DG H8 . 3.630 4.230 4.207 4.078 4.264 0.034 3 0 "[ . 1 .]" 1
370 2 1 DC H1' 2 1 DC H2' . 3.050 4.950 3.067 3.059 3.075 . 0 0 "[ . 1 .]" 1
371 2 1 DC H2' 2 1 DC H6 . 2.250 2.850 2.251 2.225 2.332 0.025 8 0 "[ . 1 .]" 1
372 2 1 DC H1' 2 1 DC H2'' . 2.080 2.680 2.422 2.392 2.447 . 0 0 "[ . 1 .]" 1
373 2 1 DC H2'' 2 1 DC H6 . 2.540 3.540 3.652 3.621 3.733 0.193 3 0 "[ . 1 .]" 1
374 2 1 DC H1' 2 1 DC H6 . 2.760 3.760 3.697 3.688 3.706 . 0 0 "[ . 1 .]" 1
375 2 1 DC H1' 2 2 DG H8 . 3.940 4.940 4.819 4.540 4.943 0.003 1 0 "[ . 1 .]" 1
376 2 2 DG C5' 2 2 DG O4' . 2.350 2.490 2.420 2.410 2.432 . 0 0 "[ . 1 .]" 1
377 2 2 DG C4' 2 2 DG O4' . . 1.500 1.419 1.416 1.420 . 0 0 "[ . 1 .]" 1
378 2 2 DG Q2' 2 2 DG H4' . 3.300 4.300 3.482 3.463 3.495 . 0 0 "[ . 1 .]" 1
379 2 2 DG H1' 2 2 DG H4' . 2.730 3.330 3.188 3.045 3.250 . 0 0 "[ . 1 .]" 1
380 2 2 DG H4' 2 2 DG O4' . . 2.190 2.044 2.033 2.052 . 0 0 "[ . 1 .]" 1
381 2 2 DG H4' 2 2 DG H8 . 4.170 4.770 4.788 4.732 4.842 0.072 11 0 "[ . 1 .]" 1
382 2 2 DG C3' 2 2 DG O4' . 2.240 2.430 2.390 2.386 2.396 . 0 0 "[ . 1 .]" 1
383 2 2 DG H1' 2 2 DG H3' . 3.420 4.050 3.826 3.799 3.863 . 0 0 "[ . 1 .]" 1
384 2 2 DG Q2' 2 2 DG H3' . 2.120 2.720 2.137 2.109 2.187 0.011 15 0 "[ . 1 .]" 1
385 2 2 DG H3' 2 2 DG H8 . 3.240 4.040 4.106 4.062 4.135 0.095 8 0 "[ . 1 .]" 1
386 2 2 DG H3' 2 3 DT M7 . 4.460 5.360 4.211 4.180 4.301 0.280 9 0 "[ . 1 .]" 1
387 2 2 DG H3' 2 3 DT H6 . 3.960 4.760 4.856 4.823 4.885 0.125 11 0 "[ . 1 .]" 1
388 2 2 DG H1' 2 2 DG Q2' . 2.480 2.660 2.316 2.280 2.334 0.200 2 0 "[ . 1 .]" 1
389 2 2 DG Q2' 2 2 DG H8 . 2.310 2.620 2.194 2.123 2.336 0.187 4 0 "[ . 1 .]" 1
390 2 2 DG Q2' 2 3 DT M7 . 3.440 4.340 2.229 2.197 2.376 1.243 8 15 [**-****+*******] 1
391 2 2 DG Q2' 2 3 DT H6 . 2.940 3.050 2.207 2.183 2.219 0.757 2 15 [-+*************] 1
392 2 2 DG H1' 2 2 DG H8 . 3.240 3.840 3.858 3.850 3.867 0.027 4 0 "[ . 1 .]" 1
393 2 2 DG H1' 2 3 DT M7 . 4.060 4.960 4.001 3.971 4.076 0.089 8 0 "[ . 1 .]" 1
394 2 2 DG H1' 2 3 DT H6 . 3.000 3.600 3.589 3.442 3.663 0.063 2 0 "[ . 1 .]" 1
395 2 2 DG H8 2 3 DT M7 . 3.320 4.220 2.754 2.693 2.977 0.627 13 14 "[******** -**+**]" 1
396 2 3 DT C5' 2 3 DT O4' . 2.350 2.490 2.419 2.410 2.429 . 0 0 "[ . 1 .]" 1
397 2 3 DT C4' 2 3 DT O4' . . 1.500 1.417 1.416 1.418 . 0 0 "[ . 1 .]" 1
398 2 3 DT H1' 2 3 DT H4' . 2.550 3.150 2.846 2.798 2.929 . 0 0 "[ . 1 .]" 1
399 2 3 DT H4' 2 3 DT O4' . . 2.190 2.039 2.035 2.044 . 0 0 "[ . 1 .]" 1
400 2 3 DT H4' 2 3 DT H6 . 3.430 4.630 4.657 4.644 4.670 0.040 3 0 "[ . 1 .]" 1
401 2 3 DT C3' 2 3 DT O4' . 2.240 2.430 2.387 2.385 2.392 . 0 0 "[ . 1 .]" 1
402 2 3 DT H2' 2 3 DT H3' . 2.160 2.760 2.280 2.273 2.288 . 0 0 "[ . 1 .]" 1
403 2 3 DT H1' 2 3 DT H3' . 3.090 3.690 3.707 3.702 3.717 0.027 13 0 "[ . 1 .]" 1
404 2 3 DT H3' 2 3 DT H6 . 3.000 4.000 4.072 4.049 4.086 0.086 6 0 "[ . 1 .]" 1
405 2 3 DT H3' 2 4 DA H8 . 3.930 4.530 4.586 4.572 4.610 0.080 9 0 "[ . 1 .]" 1
406 2 3 DT H2' 2 3 DT M7 . 3.940 5.240 3.925 3.821 3.952 0.119 3 0 "[ . 1 .]" 1
407 2 3 DT H1' 2 3 DT H2' . 2.830 3.950 3.056 3.054 3.059 . 0 0 "[ . 1 .]" 1
408 2 3 DT H2' 2 3 DT H6 . . 2.600 2.111 2.087 2.130 . 0 0 "[ . 1 .]" 1
409 2 3 DT H2' 2 4 DA H8 . 3.630 4.230 4.266 4.242 4.285 0.055 4 0 "[ . 1 .]" 1
410 2 3 DT H1' 2 3 DT H2'' . . 2.560 2.403 2.394 2.410 . 0 0 "[ . 1 .]" 1
411 2 3 DT H2'' 2 3 DT H6 . 2.650 3.350 3.444 3.423 3.476 0.126 4 0 "[ . 1 .]" 1
412 2 3 DT H2'' 2 4 DA H8 . 2.640 3.440 2.597 2.577 2.614 0.063 9 0 "[ . 1 .]" 1
413 2 3 DT H1' 2 3 DT H6 . 3.060 3.660 3.686 3.681 3.690 0.030 4 0 "[ . 1 .]" 1
414 2 3 DT H1' 2 4 DA H8 . 3.460 4.060 4.095 4.081 4.106 0.046 2 0 "[ . 1 .]" 1
415 2 4 DA C5' 2 4 DA O4' . 2.350 2.490 2.396 2.392 2.401 . 0 0 "[ . 1 .]" 1
416 2 4 DA C4' 2 4 DA O4' . . 1.500 1.419 1.417 1.423 . 0 0 "[ . 1 .]" 1
417 2 4 DA H3' 2 4 DA H4' . 2.330 2.930 2.774 2.769 2.791 . 0 0 "[ . 1 .]" 1
418 2 4 DA H2' 2 4 DA H4' . 3.470 4.250 3.847 3.829 3.861 . 0 0 "[ . 1 .]" 1
419 2 4 DA H2'' 2 4 DA H4' . 3.290 3.920 4.005 3.991 4.017 0.097 2 0 "[ . 1 .]" 1
420 2 4 DA H1' 2 4 DA H4' . 2.730 3.330 3.336 3.287 3.346 0.016 6 0 "[ . 1 .]" 1
421 2 4 DA H4' 2 4 DA O4' . . 2.190 2.049 2.046 2.055 . 0 0 "[ . 1 .]" 1
422 2 4 DA H4' 2 4 DA H8 . 3.870 4.900 4.889 4.857 4.905 0.005 13 0 "[ . 1 .]" 1
423 2 4 DA C3' 2 4 DA O4' . 2.240 2.430 2.398 2.396 2.403 . 0 0 "[ . 1 .]" 1
424 2 4 DA H2' 2 4 DA H3' . 2.180 2.780 2.304 2.284 2.317 . 0 0 "[ . 1 .]" 1
425 2 4 DA H2'' 2 4 DA H3' . 2.430 3.030 2.733 2.720 2.748 . 0 0 "[ . 1 .]" 1
426 2 4 DA H1' 2 4 DA H3' . 3.320 3.920 3.877 3.864 3.891 . 0 0 "[ . 1 .]" 1
427 2 4 DA H3' 2 4 DA H8 . 3.070 4.100 4.131 4.116 4.147 0.047 4 0 "[ . 1 .]" 1
428 2 4 DA H3' 2 5 DG H8 . 4.060 4.950 4.904 4.789 4.978 0.028 3 0 "[ . 1 .]" 1
429 2 4 DA H1' 2 4 DA H2' . 2.490 3.090 3.039 3.036 3.042 . 0 0 "[ . 1 .]" 1
430 2 4 DA H2' 2 4 DA H8 . . 2.590 2.147 2.136 2.154 . 0 0 "[ . 1 .]" 1
431 2 4 DA H2' 2 5 DG H8 . 3.060 3.660 3.681 3.625 3.713 0.053 10 0 "[ . 1 .]" 1
432 2 4 DA H1' 2 4 DA H2'' . 2.190 2.790 2.333 2.322 2.340 . 0 0 "[ . 1 .]" 1
433 2 4 DA H2'' 2 4 DA H8 . 2.270 3.470 3.556 3.541 3.568 0.098 10 0 "[ . 1 .]" 1
434 2 4 DA H2'' 2 5 DG H8 . 2.370 3.370 2.313 2.286 2.352 0.084 7 0 "[ . 1 .]" 1
435 2 4 DA H1' 2 4 DA H2 . 4.250 5.010 4.634 4.618 4.648 . 0 0 "[ . 1 .]" 1
436 2 4 DA H1' 2 4 DA H8 . 3.110 3.710 3.844 3.840 3.850 0.140 15 0 "[ . 1 .]" 1
437 2 4 DA H1' 2 5 DG H8 . 3.260 3.860 3.691 3.545 3.841 . 0 0 "[ . 1 .]" 1
438 2 5 DG C5' 2 5 DG O4' . 2.350 2.490 2.413 2.401 2.424 . 0 0 "[ . 1 .]" 1
439 2 5 DG C4' 2 5 DG O4' . . 1.500 1.415 1.413 1.416 . 0 0 "[ . 1 .]" 1
440 2 5 DG H3' 2 5 DG H4' . 2.380 2.980 2.882 2.849 2.916 . 0 0 "[ . 1 .]" 1
441 2 5 DG H1' 2 5 DG H4' . 2.760 3.360 3.079 2.957 3.178 . 0 0 "[ . 1 .]" 1
442 2 5 DG H4' 2 5 DG O4' . . 2.190 2.026 2.022 2.029 . 0 0 "[ . 1 .]" 1
443 2 5 DG H4' 2 5 DG H8 . 3.910 4.710 4.837 4.781 4.920 0.210 15 0 "[ . 1 .]" 1
444 2 5 DG C3' 2 5 DG O4' . 2.240 2.430 2.396 2.391 2.404 . 0 0 "[ . 1 .]" 1
445 2 5 DG H2' 2 5 DG H3' . 2.250 2.850 2.278 2.256 2.296 . 0 0 "[ . 1 .]" 1
446 2 5 DG H2'' 2 5 DG H3' . . 2.620 2.710 2.703 2.720 0.100 11 0 "[ . 1 .]" 1
447 2 5 DG H3' 2 5 DG H8 . 3.230 4.030 4.062 4.027 4.083 0.053 7 0 "[ . 1 .]" 1
448 2 5 DG H1' 2 5 DG H2' . 2.170 2.970 3.029 3.027 3.034 0.064 3 0 "[ . 1 .]" 1
449 2 5 DG H2' 2 5 DG H8 . 2.090 2.690 2.165 2.151 2.186 . 0 0 "[ . 1 .]" 1
450 2 5 DG H2' 2 6 DC H5 . 3.240 4.240 3.347 3.307 3.397 . 0 0 "[ . 1 .]" 1
451 2 5 DG H2' 2 6 DC H6 . . 3.180 3.234 3.224 3.246 0.066 5 0 "[ . 1 .]" 1
452 2 5 DG H1' 2 5 DG H2'' . 2.150 2.750 2.371 2.352 2.386 . 0 0 "[ . 1 .]" 1
453 2 5 DG H2'' 2 5 DG H8 . 2.710 3.510 3.601 3.584 3.622 0.112 2 0 "[ . 1 .]" 1
454 2 5 DG H2'' 2 6 DC H5 . 2.860 3.460 3.497 3.467 3.531 0.071 13 0 "[ . 1 .]" 1
455 2 5 DG H1' 2 5 DG H8 . 3.530 4.130 3.838 3.831 3.848 . 0 0 "[ . 1 .]" 1
456 2 5 DG H1' 2 6 DC H6 . 3.000 3.600 3.648 3.625 3.662 0.062 2 0 "[ . 1 .]" 1
457 2 5 DG H8 2 6 DC H5 . 3.520 4.280 3.495 3.475 3.521 0.045 7 0 "[ . 1 .]" 1
458 2 6 DC C5' 2 6 DC O4' . 2.350 2.490 2.403 2.396 2.413 . 0 0 "[ . 1 .]" 1
459 2 6 DC C4' 2 6 DC O4' . . 1.500 1.416 1.414 1.420 . 0 0 "[ . 1 .]" 1
460 2 6 DC H3' 2 6 DC H4' . 2.640 3.240 2.879 2.835 2.935 . 0 0 "[ . 1 .]" 1
461 2 6 DC H2' 2 6 DC H4' . 2.970 3.770 3.810 3.789 3.823 0.053 7 0 "[ . 1 .]" 1
462 2 6 DC H1' 2 6 DC H4' . 2.600 3.200 2.742 2.596 2.856 0.004 9 0 "[ . 1 .]" 1
463 2 6 DC H4' 2 6 DC O4' . . 2.190 2.036 2.018 2.048 . 0 0 "[ . 1 .]" 1
464 2 6 DC H4' 2 6 DC H6 . 4.110 5.460 4.770 4.602 4.926 . 0 0 "[ . 1 .]" 1
465 2 6 DC C3' 2 6 DC O4' . 2.240 2.430 2.398 2.392 2.404 . 0 0 "[ . 1 .]" 1
466 2 6 DC H2' 2 6 DC H3' . 2.370 3.140 2.337 2.309 2.372 0.061 9 0 "[ . 1 .]" 1
467 2 6 DC H1' 2 6 DC H3' . 3.450 4.050 3.724 3.678 3.771 . 0 0 "[ . 1 .]" 1
468 2 6 DC H3' 2 6 DC H6 . 2.900 5.270 4.230 4.069 4.338 . 0 0 "[ . 1 .]" 1
469 2 6 DC H3' 2 7 DC H5 . 3.090 3.690 3.652 3.312 3.775 0.085 13 0 "[ . 1 .]" 1
470 2 6 DC H3' 2 7 DC H6 . 2.890 3.490 2.845 2.821 2.877 0.069 10 0 "[ . 1 .]" 1
471 2 6 DC H1' 2 6 DC H2' . 2.020 3.020 3.038 3.033 3.045 0.025 13 0 "[ . 1 .]" 1
472 2 6 DC H2' 2 6 DC H5 . 2.890 4.750 4.409 4.336 4.498 . 0 0 "[ . 1 .]" 1
473 2 6 DC H2' 2 6 DC H6 . . 2.260 2.237 2.172 2.316 0.056 4 0 "[ . 1 .]" 1
474 2 6 DC H2' 2 7 DC H4' . 3.190 4.770 4.850 4.780 5.072 0.302 13 0 "[ . 1 .]" 1
475 2 6 DC H2'' 2 6 DC H6 . 2.430 3.830 3.562 3.426 3.698 . 0 0 "[ . 1 .]" 1
476 2 6 DC H1' 2 6 DC H6 . 3.550 5.510 3.752 3.727 3.761 . 0 0 "[ . 1 .]" 1
477 2 7 DC C5' 2 7 DC O4' . 2.350 2.490 2.410 2.390 2.437 . 0 0 "[ . 1 .]" 1
478 2 7 DC C4' 2 7 DC O4' . . 1.500 1.415 1.413 1.419 . 0 0 "[ . 1 .]" 1
479 2 7 DC H2' 2 7 DC H4' . 3.880 4.770 3.891 3.871 3.921 0.009 3 0 "[ . 1 .]" 1
480 2 7 DC H2'' 2 7 DC H4' . 2.800 3.790 3.773 3.663 3.836 0.046 6 0 "[ . 1 .]" 1
481 2 7 DC H1' 2 7 DC H4' . 2.770 3.370 2.901 2.768 3.189 0.002 10 0 "[ . 1 .]" 1
482 2 7 DC H4' 2 7 DC O4' . . 2.190 2.027 2.022 2.037 . 0 0 "[ . 1 .]" 1
483 2 7 DC H4' 2 7 DC H6 . 3.840 5.240 4.390 4.215 4.457 . 0 0 "[ . 1 .]" 1
484 2 7 DC C3' 2 7 DC O4' . 2.240 2.430 2.389 2.380 2.398 . 0 0 "[ . 1 .]" 1
485 2 7 DC H2' 2 7 DC H3' . 2.290 3.090 2.275 2.264 2.285 0.026 7 0 "[ . 1 .]" 1
486 2 7 DC H2'' 2 7 DC H3' . 2.220 2.820 2.803 2.763 2.844 0.024 2 0 "[ . 1 .]" 1
487 2 7 DC H1' 2 7 DC H3' . 3.470 4.070 3.867 3.830 3.935 . 0 0 "[ . 1 .]" 1
488 2 7 DC H3' 2 8 DG H8 . 3.700 4.410 4.441 4.207 4.498 0.088 6 0 "[ . 1 .]" 1
489 2 7 DC H1' 2 7 DC H2' . 2.590 3.190 3.031 3.014 3.046 . 0 0 "[ . 1 .]" 1
490 2 7 DC H2' 2 7 DC H6 . 2.180 2.780 2.608 2.419 2.793 0.013 14 0 "[ . 1 .]" 1
491 2 7 DC H2' 2 8 DG H8 . 3.550 4.150 3.558 3.491 3.779 0.059 3 0 "[ . 1 .]" 1
492 2 7 DC H1' 2 7 DC H2'' . 2.190 2.790 2.348 2.294 2.374 . 0 0 "[ . 1 .]" 1
493 2 7 DC H2'' 2 8 DG H8 . . 3.110 2.450 2.325 2.655 . 0 0 "[ . 1 .]" 1
494 2 7 DC H1' 2 7 DC H6 . 3.150 3.750 3.709 3.685 3.724 . 0 0 "[ . 1 .]" 1
495 2 7 DC H1' 2 8 DG H8 . 3.880 5.450 4.575 4.316 4.881 . 0 0 "[ . 1 .]" 1
496 2 8 DG C5' 2 8 DG O4' . 2.350 2.490 2.409 2.402 2.414 . 0 0 "[ . 1 .]" 1
497 2 8 DG C4' 2 8 DG O4' . . 1.500 1.417 1.414 1.419 . 0 0 "[ . 1 .]" 1
498 2 8 DG H3' 2 8 DG H4' . 2.330 2.930 2.797 2.778 2.817 . 0 0 "[ . 1 .]" 1
499 2 8 DG H1' 2 8 DG H4' . 2.880 3.480 3.335 3.285 3.383 . 0 0 "[ . 1 .]" 1
500 2 8 DG H4' 2 8 DG O4' . . 2.190 2.049 2.042 2.053 . 0 0 "[ . 1 .]" 1
501 2 8 DG H4' 2 8 DG H8 . 4.270 4.870 4.871 4.799 4.913 0.043 3 0 "[ . 1 .]" 1
502 2 8 DG C3' 2 8 DG O4' . 2.240 2.430 2.387 2.381 2.390 . 0 0 "[ . 1 .]" 1
503 2 8 DG H2'' 2 8 DG H3' . 2.140 2.740 2.719 2.713 2.731 . 0 0 "[ . 1 .]" 1
504 2 8 DG H1' 2 8 DG H3' . 3.250 3.850 3.857 3.851 3.865 0.015 13 0 "[ . 1 .]" 1
505 2 8 DG H3' 2 8 DG H8 . 3.340 3.940 4.107 4.094 4.129 0.189 1 0 "[ . 1 .]" 1
506 2 8 DG H1' 2 8 DG H2' . 2.560 3.160 3.038 3.034 3.045 . 0 0 "[ . 1 .]" 1
507 2 8 DG H2' 2 8 DG H8 . . 2.780 2.156 2.117 2.218 . 0 0 "[ . 1 .]" 1
508 2 8 DG H2' 2 9 DA H8 . 2.750 3.350 3.420 3.361 3.443 0.093 5 0 "[ . 1 .]" 1
509 2 8 DG H1' 2 8 DG H2'' . 2.340 2.940 2.362 2.354 2.372 . 0 0 "[ . 1 .]" 1
510 2 8 DG H2'' 2 8 DG H8 . 2.210 3.510 3.586 3.523 3.665 0.155 14 0 "[ . 1 .]" 1
511 2 8 DG H2'' 2 9 DA H8 . 2.420 3.020 2.330 2.318 2.357 0.102 9 0 "[ . 1 .]" 1
512 2 8 DG H1' 2 8 DG H8 . 3.480 4.080 3.878 3.867 3.883 . 0 0 "[ . 1 .]" 1
513 2 8 DG H1' 2 9 DA H8 . 2.880 3.480 3.507 3.500 3.518 0.038 15 0 "[ . 1 .]" 1
514 2 9 DA C5' 2 9 DA O4' . 2.350 2.490 2.425 2.418 2.430 . 0 0 "[ . 1 .]" 1
515 2 9 DA C4' 2 9 DA O4' . . 1.500 1.411 1.410 1.412 . 0 0 "[ . 1 .]" 1
516 2 9 DA H3' 2 9 DA H4' . 2.370 2.970 2.965 2.953 2.973 0.003 14 0 "[ . 1 .]" 1
517 2 9 DA Q2' 2 9 DA H4' . 3.770 4.060 3.320 3.309 3.327 0.461 3 0 "[ . 1 .]" 1
518 2 9 DA H1' 2 9 DA H4' . 2.770 3.370 2.745 2.729 2.756 0.041 3 0 "[ . 1 .]" 1
519 2 9 DA H4' 2 9 DA O4' . . 2.190 1.996 1.988 2.004 . 0 0 "[ . 1 .]" 1
520 2 9 DA H4' 2 9 DA H8 . 3.990 4.590 4.663 4.654 4.686 0.096 3 0 "[ . 1 .]" 1
521 2 9 DA H4' 2 10 DT H6 . 4.210 5.610 5.698 5.689 5.716 0.106 4 0 "[ . 1 .]" 1
522 2 9 DA C3' 2 9 DA O4' . 2.240 2.430 2.387 2.384 2.390 . 0 0 "[ . 1 .]" 1
523 2 9 DA Q2' 2 9 DA H3' . 2.380 2.810 2.180 2.175 2.192 0.205 6 0 "[ . 1 .]" 1
524 2 9 DA H1' 2 9 DA H3' . 3.130 3.930 3.894 3.885 3.901 . 0 0 "[ . 1 .]" 1
525 2 9 DA H3' 2 9 DA H8 . 2.780 3.680 3.849 3.829 3.868 0.188 1 0 "[ . 1 .]" 1
526 2 9 DA H3' 2 10 DT M7 . 4.180 5.380 4.195 4.179 4.207 0.001 4 0 "[ . 1 .]" 1
527 2 9 DA H3' 2 10 DT H6 . 3.590 4.690 4.757 4.731 4.778 0.088 5 0 "[ . 1 .]" 1
528 2 9 DA H1' 2 9 DA Q2' . 2.500 2.700 2.277 2.265 2.287 0.235 3 0 "[ . 1 .]" 1
529 2 9 DA Q2' 2 9 DA H8 . 2.580 2.660 2.285 2.236 2.335 0.344 13 0 "[ . 1 .]" 1
530 2 9 DA Q2' 2 10 DT M7 . 3.500 4.400 2.320 2.287 2.345 1.213 4 15 [***+-**********] 1
531 2 9 DA Q2' 2 10 DT H6 . 2.860 2.960 2.125 2.119 2.129 0.741 9 15 [********+****-*] 1
532 2 9 DA H1' 2 9 DA H2 . 4.050 4.650 4.627 4.609 4.646 . 0 0 "[ . 1 .]" 1
533 2 9 DA H1' 2 9 DA H8 . 3.160 3.760 3.824 3.811 3.831 0.071 6 0 "[ . 1 .]" 1
534 2 9 DA H1' 2 10 DT H4' . 2.630 3.230 3.683 3.616 3.836 0.606 2 2 "[ + . - 1 .]" 1
535 2 9 DA H1' 2 10 DT M7 . 4.430 5.330 4.352 4.336 4.371 0.094 14 0 "[ . 1 .]" 1
536 2 9 DA H1' 2 10 DT H6 . 3.050 3.650 3.662 3.630 3.692 0.042 2 0 "[ . 1 .]" 1
537 2 9 DA H2 2 10 DT H1' . 3.240 3.840 3.731 3.652 3.850 0.010 3 0 "[ . 1 .]" 1
538 2 9 DA H8 2 10 DT M7 . 3.240 4.140 2.917 2.788 3.047 0.452 13 0 "[ . 1 .]" 1
539 2 10 DT C5' 2 10 DT O4' . 2.350 2.490 2.443 2.435 2.448 . 0 0 "[ . 1 .]" 1
540 2 10 DT C4' 2 10 DT O4' . . 1.500 1.416 1.415 1.418 . 0 0 "[ . 1 .]" 1
541 2 10 DT H2' 2 10 DT H4' . 3.060 4.160 3.797 3.785 3.814 . 0 0 "[ . 1 .]" 1
542 2 10 DT H1' 2 10 DT H4' . 2.250 2.850 2.672 2.633 2.732 . 0 0 "[ . 1 .]" 1
543 2 10 DT H4' 2 10 DT O4' . . 2.190 2.003 2.000 2.008 . 4 0 "[ . 1 .]" 1
544 2 10 DT H4' 2 10 DT H6 . 3.260 4.460 4.508 4.495 4.521 0.061 13 0 "[ . 1 .]" 1
545 2 10 DT C3' 2 10 DT O4' . 2.240 2.430 2.379 2.376 2.381 . 0 0 "[ . 1 .]" 1
546 2 10 DT H1' 2 10 DT H3' . 3.660 4.760 3.733 3.713 3.747 . 0 0 "[ . 1 .]" 1
547 2 10 DT H2' 2 10 DT H3' . 2.260 2.860 2.262 2.254 2.267 0.006 3 0 "[ . 1 .]" 1
548 2 10 DT H2'' 2 10 DT H3' . . 2.550 2.706 2.672 2.734 0.184 4 0 "[ . 1 .]" 1
549 2 10 DT H3' 2 10 DT H6 . 2.860 4.060 4.075 4.056 4.104 0.044 5 0 "[ . 1 .]" 1
550 2 10 DT H3' 2 11 DG H8 . 3.230 4.550 4.567 4.522 4.597 0.047 9 0 "[ . 1 .]" 1
551 2 10 DT H2' 2 10 DT M7 . 3.910 5.210 4.031 3.993 4.073 . 0 0 "[ . 1 .]" 1
552 2 10 DT H1' 2 10 DT H2' . 2.730 3.330 3.063 3.059 3.067 . 0 0 "[ . 1 .]" 1
553 2 10 DT H2' 2 10 DT H6 . 2.010 2.610 2.269 2.237 2.315 . 0 0 "[ . 1 .]" 1
554 2 10 DT H2' 2 11 DG H8 . 2.880 3.880 3.340 2.854 3.707 0.026 3 0 "[ . 1 .]" 1
555 2 10 DT H1' 2 10 DT H2'' . . 2.590 2.451 2.438 2.468 . 0 0 "[ . 1 .]" 1
556 2 10 DT H2'' 2 10 DT H6 . 2.750 3.550 3.651 3.614 3.704 0.154 14 0 "[ . 1 .]" 1
557 2 10 DT H2'' 2 11 DG H8 . . 3.400 2.202 2.126 2.390 . 0 0 "[ . 1 .]" 1
558 2 10 DT H1' 2 10 DT H6 . 3.140 3.740 3.674 3.668 3.679 . 0 0 "[ . 1 .]" 1
559 2 10 DT H1' 2 11 DG H8 . 3.440 4.700 4.144 3.918 4.352 . 0 0 "[ . 1 .]" 1
560 2 11 DG C5' 2 11 DG O4' . 2.350 2.490 2.418 2.410 2.425 . 0 0 "[ . 1 .]" 1
561 2 11 DG C4' 2 11 DG O4' . . 1.500 1.413 1.409 1.416 . 0 0 "[ . 1 .]" 1
562 2 11 DG H2' 2 11 DG H4' . 3.130 3.730 3.796 3.783 3.802 0.072 7 0 "[ . 1 .]" 1
563 2 11 DG H1' 2 11 DG H4' . 2.640 3.440 3.098 2.642 3.333 . 0 0 "[ . 1 .]" 1
564 2 11 DG H4' 2 11 DG O4' . . 2.190 2.017 1.995 2.028 0.005 3 0 "[ . 1 .]" 1
565 2 11 DG H4' 2 11 DG H8 . 4.080 4.680 4.831 4.759 4.884 0.204 14 0 "[ . 1 .]" 1
566 2 11 DG C3' 2 11 DG O4' . 2.240 2.430 2.396 2.383 2.399 . 0 0 "[ . 1 .]" 1
567 2 11 DG H2' 2 11 DG H3' . . 2.480 2.256 2.233 2.274 . 0 0 "[ . 1 .]" 1
568 2 11 DG H1' 2 11 DG H3' . 3.280 3.880 3.827 3.788 3.868 . 0 0 "[ . 1 .]" 1
569 2 11 DG H3' 2 11 DG H8 . 3.190 4.070 4.105 4.081 4.158 0.088 15 0 "[ . 1 .]" 1
570 2 11 DG H3' 2 12 DC H6 . 3.520 4.760 4.803 4.768 4.855 0.095 9 0 "[ . 1 .]" 1
571 2 11 DG H1' 2 11 DG H2' . 2.400 3.000 3.023 3.018 3.026 0.026 15 0 "[ . 1 .]" 1
572 2 11 DG H2' 2 11 DG H8 . . 2.530 2.161 2.136 2.213 . 0 0 "[ . 1 .]" 1
573 2 11 DG H2' 2 12 DC H6 . 2.570 4.490 3.000 2.889 3.273 . 0 0 "[ . 1 .]" 1
574 2 11 DG H1' 2 11 DG H2'' . 2.070 2.670 2.347 2.325 2.369 . 0 0 "[ . 1 .]" 1
575 2 11 DG H2'' 2 11 DG H8 . 2.310 3.510 3.568 3.540 3.595 0.085 4 0 "[ . 1 .]" 1
576 2 11 DG H2'' 2 12 DC H6 . 2.570 3.730 2.452 2.306 2.516 0.264 11 0 "[ . 1 .]" 1
577 2 11 DG H1' 2 11 DG H8 . 3.140 3.740 3.808 3.801 3.815 0.075 9 0 "[ . 1 .]" 1
578 2 11 DG H1' 2 12 DC H6 . 2.470 3.670 3.927 3.730 4.217 0.547 3 1 "[ + . 1 .]" 1
579 2 11 DG H8 2 12 DC H5 . 3.050 4.050 3.112 3.010 3.381 0.040 3 0 "[ . 1 .]" 1
580 2 12 DC C5' 2 12 DC O4' . 2.350 2.490 2.450 2.427 2.459 . 0 0 "[ . 1 .]" 1
581 2 12 DC C4' 2 12 DC O4' . . 1.500 1.412 1.410 1.414 . 0 0 "[ . 1 .]" 1
582 2 12 DC H3' 2 12 DC H4' . 2.170 2.970 3.021 3.018 3.027 0.057 11 0 "[ . 1 .]" 1
583 2 12 DC H2' 2 12 DC H4' . 2.800 3.690 3.748 3.730 3.754 0.064 3 0 "[ . 1 .]" 1
584 2 12 DC H2'' 2 12 DC H4' . 2.630 3.350 3.038 2.833 3.098 . 0 0 "[ . 1 .]" 1
585 2 12 DC H1' 2 12 DC H4' . 2.440 3.040 2.434 2.395 2.566 0.045 13 0 "[ . 1 .]" 1
586 2 12 DC H4' 2 12 DC O4' . . 2.190 2.031 2.027 2.038 . 0 0 "[ . 1 .]" 1
587 2 12 DC C3' 2 12 DC O4' . 2.240 2.430 2.317 2.312 2.322 . 0 0 "[ . 1 .]" 1
588 2 12 DC H2' 2 12 DC H3' . 2.410 3.010 2.318 2.307 2.350 0.103 4 0 "[ . 1 .]" 1
589 2 12 DC H2'' 2 12 DC H3' . 2.320 2.920 2.962 2.955 2.982 0.062 11 0 "[ . 1 .]" 1
590 2 12 DC H1' 2 12 DC H3' . 3.290 3.900 3.841 3.831 3.849 . 0 0 "[ . 1 .]" 1
591 2 12 DC H3' 2 12 DC H6 . 2.610 3.210 3.150 2.720 3.242 0.032 4 0 "[ . 1 .]" 1
592 2 12 DC H1' 2 12 DC H2' . . 2.880 2.972 2.942 2.980 0.100 10 0 "[ . 1 .]" 1
593 2 12 DC H2' 2 12 DC H6 . 2.490 3.090 2.555 2.504 2.614 . 0 0 "[ . 1 .]" 1
594 2 12 DC H1' 2 12 DC H2'' . 2.460 3.450 2.330 2.299 2.344 0.161 11 0 "[ . 1 .]" 1
595 2 12 DC H2'' 2 12 DC H6 . 2.120 3.920 3.985 3.961 4.005 0.085 4 0 "[ . 1 .]" 1
596 2 12 DC H1' 2 12 DC H6 . 3.000 3.800 3.705 3.691 3.719 . 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 20
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 267.931
_Distance_constraint_stats_list.Viol_max 0.888
_Distance_constraint_stats_list.Viol_rms 0.1429
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0595
_Distance_constraint_stats_list.Viol_average_violations_only 0.1841
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 DC 0.000 0.000 . 0 "[ . 1 .]"
1 3 DA 0.000 0.000 . 0 "[ . 1 .]"
1 4 DT 0.244 0.069 14 0 "[ . 1 .]"
1 5 DC 1.623 0.206 14 0 "[ . 1 .]"
1 6 DG 3.531 0.364 3 0 "[ . 1 .]"
1 7 DA 3.265 0.364 3 0 "[ . 1 .]"
1 8 DA 0.000 0.000 . 0 "[ . 1 .]"
1 9 DA 0.000 0.000 . 0 "[ . 1 .]"
1 10 DA 0.000 0.000 . 0 "[ . 1 .]"
1 11 DA 10.273 0.888 3 10 "[ *+*-* *** **]"
1 12 DG 10.307 0.888 3 10 "[ *+*-* *** **]"
1 13 DC 1.143 0.204 15 0 "[ . 1 .]"
1 14 DT 1.014 0.167 14 0 "[ . 1 .]"
1 15 DA 0.000 0.000 . 0 "[ . 1 .]"
1 16 DC 0.000 0.000 . 0 "[ . 1 .]"
2 2 DG 0.000 0.000 . 0 "[ . 1 .]"
2 3 DT 0.000 0.000 . 0 "[ . 1 .]"
2 4 DA 1.014 0.167 14 0 "[ . 1 .]"
2 5 DG 1.143 0.204 15 0 "[ . 1 .]"
2 6 DC 0.034 0.034 12 0 "[ . 1 .]"
2 7 DC 0.266 0.093 10 0 "[ . 1 .]"
2 8 DG 1.623 0.206 14 0 "[ . 1 .]"
2 9 DA 0.244 0.069 14 0 "[ . 1 .]"
2 10 DT 0.000 0.000 . 0 "[ . 1 .]"
2 11 DG 0.000 0.000 . 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 2 DC N1 2 11 DG N9 . 9.000 . 9.087 9.030 9.119 . 0 0 "[ . 1 .]" 2
2 1 3 DA N9 2 10 DT N1 . 9.000 . 9.080 9.014 9.121 . 0 0 "[ . 1 .]" 2
3 1 4 DT N1 2 9 DA N9 . 9.000 . 8.988 8.931 9.020 0.069 14 0 "[ . 1 .]" 2
4 1 5 DC N1 2 8 DG N9 . 9.000 . 8.892 8.794 8.993 0.206 14 0 "[ . 1 .]" 2
5 1 6 DG H2'' 1 7 DA H2' . 4.500 . 4.282 4.136 4.404 0.364 3 0 "[ . 1 .]" 2
6 1 6 DG N9 2 7 DC N1 . 9.000 . 9.002 8.907 9.082 0.093 10 0 "[ . 1 .]" 2
7 1 8 DA H1' 1 9 DA H3' . 4.500 . 5.299 5.152 5.724 . 0 0 "[ . 1 .]" 2
8 1 9 DA H2'' 1 10 DA H3' . 4.500 . 4.939 4.784 5.123 . 0 0 "[ . 1 .]" 2
9 1 9 DA H2 1 10 DA H4' . 4.500 . 5.700 5.043 6.289 . 0 0 "[ . 1 .]" 2
10 1 9 DA H3' 1 10 DA H8 . 4.500 . 5.659 5.644 5.684 . 0 0 "[ . 1 .]" 2
11 1 10 DA Q2' 1 11 DA H3' . 4.000 . 6.523 6.470 6.618 . 0 0 "[ . 1 .]" 2
12 1 10 DA H1' 1 11 DA H4' . 4.500 . 7.088 6.882 7.224 . 0 0 "[ . 1 .]" 2
13 1 11 DA H2 1 12 DG H4' . 4.500 . 5.643 5.341 6.020 . 0 0 "[ . 1 .]" 2
14 1 11 DA H2 1 12 DG H1' . 5.000 . 4.443 4.112 4.876 0.888 3 10 "[ *+*-* *** **]" 2
15 1 11 DA H1' 1 12 DG H4' . 4.500 . 4.390 4.221 4.641 0.279 15 0 "[ . 1 .]" 2
16 1 12 DG N9 2 6 DC N1 . 9.000 . 9.061 8.966 9.120 0.034 12 0 "[ . 1 .]" 2
17 1 13 DC N1 2 5 DG N9 . 9.000 . 8.943 8.796 9.081 0.204 15 0 "[ . 1 .]" 2
18 1 14 DT N1 2 4 DA N9 . 9.000 . 8.943 8.833 9.080 0.167 14 0 "[ . 1 .]" 2
19 1 15 DA N9 2 3 DT N1 . 9.000 . 9.099 9.030 9.166 . 0 0 "[ . 1 .]" 2
20 1 16 DC N1 2 2 DG N9 . 9.000 . 9.126 9.076 9.185 . 0 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, July 1, 2024 6:58:51 AM GMT (wattos1)