NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601066 |
5i2v   |
30012 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5i2v
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 366
_Distance_constraint_stats_list.Viol_count 893
_Distance_constraint_stats_list.Viol_total 2588.745
_Distance_constraint_stats_list.Viol_max 1.896
_Distance_constraint_stats_list.Viol_rms 0.1787
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0585
_Distance_constraint_stats_list.Viol_average_violations_only 0.2635
_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 DA 6.920 0.956 6 6 "[ * *+ - **]"
1 2 DG 15.733 1.498 11 10 "[*** -*****+]"
1 3 DG 21.014 1.498 11 11 [****-*****+]
1 4 DG 14.027 0.809 11 1 "[ . 1+]"
1 5 DC 9.021 1.839 10 4 "[ - * * + ]"
1 6 DG 25.628 1.839 10 11 [**-******+*]
1 7 DG 17.071 1.617 6 11 [***-*+*****]
1 8 DT 10.111 1.050 11 3 "[ - * 1+]"
1 9 DG 34.871 1.517 7 11 [******+*-**]
1 10 DT 21.851 1.517 7 11 [**-***+****]
1 11 DG 14.098 0.777 8 8 "[**-*.**+ 1*]"
1 12 DG 16.276 0.883 11 5 "[* - **1+]"
1 13 DG 21.513 1.165 9 9 "[****.* *+**]"
1 14 DA 8.518 1.349 5 4 "[ +* -*1 ]"
1 15 DA 10.599 1.349 5 7 "[ * +*-**1*]"
1 16 DT 13.266 1.044 9 5 "[ **.*- +1 ]"
1 17 DA 11.669 1.044 9 6 "[ **.** +1-]"
1 18 DG 15.818 0.831 7 7 "[ *-*.*+* 1*]"
1 19 DG 17.863 1.165 9 9 "[****.*-*+* ]"
1 20 DG 26.443 0.913 4 7 "[** +.*- **]"
1 21 DA 23.881 1.896 2 10 [*+**.******]
1 22 DA 16.021 1.896 2 7 "[*+* .** ** ]"
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 DA H1' 1 1 DA H2'' 3.000 . 3.200 2.291 2.242 2.350 . 0 0 "[ . 1 ]" 1
2 1 1 DA H1' 1 1 DA H8 3.000 . 3.200 3.325 2.796 3.796 0.596 11 2 "[ - . 1+]" 1
3 1 1 DA H1' 1 2 DG H8 4.500 2.500 4.800 3.740 2.969 5.190 0.390 2 0 "[ . 1 ]" 1
4 1 1 DA H2' 1 1 DA H2'' 3.000 . 3.200 1.782 1.769 1.802 0.031 10 0 "[ . 1 ]" 1
5 1 1 DA H2' 1 18 DG H1 6.500 4.000 6.500 5.661 4.973 6.661 0.161 9 0 "[ . 1 ]" 1
6 1 1 DA H2'' 1 18 DG H1 6.500 4.000 6.500 4.993 4.103 5.974 . 0 0 "[ . 1 ]" 1
7 1 1 DA H3' 1 1 DA H8 4.500 2.500 4.800 3.982 2.579 5.299 0.499 3 0 "[ . 1 ]" 1
8 1 1 DA H4' 1 1 DA H5'' 3.000 . 3.200 2.841 2.448 3.058 . 0 0 "[ . 1 ]" 1
9 1 1 DA H5'' 1 1 DA H8 4.500 2.500 4.800 4.446 2.573 5.756 0.956 6 4 "[ *+ - * ]" 1
10 1 2 DG H1 1 3 DG H1 4.500 2.500 4.800 3.587 3.374 3.862 . 0 0 "[ . 1 ]" 1
11 1 2 DG H1 1 6 DG H8 6.500 4.000 6.500 5.182 4.858 5.497 . 0 0 "[ . 1 ]" 1
12 1 2 DG H1 1 18 DG H1 6.500 4.000 6.500 4.312 4.246 4.360 . 0 0 "[ . 1 ]" 1
13 1 2 DG H1 1 19 DG H1 6.500 4.000 6.500 4.443 4.098 4.772 . 0 0 "[ . 1 ]" 1
14 1 2 DG H1' 1 2 DG H3' 4.500 2.500 4.800 3.854 3.730 3.961 . 0 0 "[ . 1 ]" 1
15 1 2 DG H1' 1 2 DG H8 4.500 2.500 4.800 3.890 3.827 3.933 . 0 0 "[ . 1 ]" 1
16 1 2 DG H1' 1 3 DG H8 4.500 2.500 4.800 3.710 3.048 4.755 . 0 0 "[ . 1 ]" 1
17 1 2 DG Q2' 1 2 DG H3' 4.500 2.500 4.800 2.224 2.159 2.247 0.341 4 0 "[ . 1 ]" 1
18 1 2 DG Q2' 1 2 DG H4' 4.500 2.500 4.800 3.515 3.500 3.533 . 0 0 "[ . 1 ]" 1
19 1 2 DG Q2' 1 2 DG H5'' 4.500 2.500 4.800 2.404 2.116 2.848 0.384 8 0 "[ . 1 ]" 1
20 1 2 DG Q2' 1 2 DG H8 3.000 . 3.200 2.337 2.128 2.715 . 0 0 "[ . 1 ]" 1
21 1 2 DG Q2' 1 3 DG H8 4.500 2.500 4.800 2.975 2.259 3.578 0.241 4 0 "[ . 1 ]" 1
22 1 2 DG Q2' 1 19 DG H1 6.500 4.000 6.500 5.717 5.270 6.153 . 0 0 "[ . 1 ]" 1
23 1 2 DG H3' 1 2 DG H4' 4.500 2.500 4.800 2.726 2.694 2.755 . 0 0 "[ . 1 ]" 1
24 1 2 DG H3' 1 2 DG H8 4.500 2.500 4.800 4.389 4.027 4.643 . 0 0 "[ . 1 ]" 1
25 1 2 DG H3' 1 3 DG H8 4.500 2.500 4.800 5.684 4.677 6.298 1.498 11 10 "[*** -*****+]" 1
26 1 2 DG H4' 1 2 DG H5'' 3.000 . 3.200 3.045 3.023 3.055 . 0 0 "[ . 1 ]" 1
27 1 2 DG H5'' 1 2 DG H8 4.500 2.500 4.800 2.604 2.199 3.338 0.301 4 0 "[ . 1 ]" 1
28 1 2 DG H8 1 3 DG H8 6.500 4.000 6.500 5.197 4.580 5.923 . 0 0 "[ . 1 ]" 1
29 1 2 DG H8 1 18 DG H1 6.500 4.000 6.500 5.268 5.092 5.465 . 0 0 "[ . 1 ]" 1
30 1 2 DG H8 1 19 DG H1 6.500 4.000 6.500 5.577 4.983 6.026 . 0 0 "[ . 1 ]" 1
31 1 3 DG H1 1 6 DG H1 6.500 4.000 6.500 4.429 4.192 4.872 . 0 0 "[ . 1 ]" 1
32 1 3 DG H1 1 6 DG H2' 6.500 4.000 6.500 5.840 5.242 6.434 . 0 0 "[ . 1 ]" 1
33 1 3 DG H1 1 6 DG H2'' 6.500 4.000 6.500 6.606 6.202 6.963 0.463 3 0 "[ . 1 ]" 1
34 1 3 DG H1 1 7 DG H8 4.500 2.500 4.800 4.699 4.524 4.864 0.064 7 0 "[ . 1 ]" 1
35 1 3 DG H1 1 20 DG H1 6.500 4.000 6.500 4.982 4.729 5.260 . 0 0 "[ . 1 ]" 1
36 1 3 DG H1' 1 3 DG H2' 4.500 2.500 4.800 3.013 2.972 3.054 . 0 0 "[ . 1 ]" 1
37 1 3 DG H1' 1 3 DG H2'' 4.500 2.500 4.800 2.335 2.290 2.425 0.210 11 0 "[ . 1 ]" 1
38 1 3 DG H1' 1 3 DG H3' 4.500 2.500 4.800 3.895 3.718 3.989 . 0 0 "[ . 1 ]" 1
39 1 3 DG H1' 1 3 DG H5' 4.500 2.500 4.800 4.370 4.014 4.925 0.125 4 0 "[ . 1 ]" 1
40 1 3 DG H1' 1 3 DG H8 4.500 2.500 4.800 3.908 3.878 3.928 . 0 0 "[ . 1 ]" 1
41 1 3 DG H1' 1 4 DG H8 4.500 2.500 4.800 3.362 2.573 3.918 . 0 0 "[ . 1 ]" 1
42 1 3 DG H2' 1 3 DG H2'' 3.000 . 3.200 1.780 1.767 1.790 0.033 3 0 "[ . 1 ]" 1
43 1 3 DG H2' 1 3 DG H8 3.000 . 3.200 2.577 2.257 2.943 . 0 0 "[ . 1 ]" 1
44 1 3 DG H2' 1 20 DG H1 6.500 4.000 6.500 5.965 5.725 6.222 . 0 0 "[ . 1 ]" 1
45 1 3 DG H2'' 1 3 DG H8 4.500 2.500 4.800 4.021 3.798 4.321 . 0 0 "[ . 1 ]" 1
46 1 3 DG H2'' 1 4 DG H8 3.000 . 3.200 2.251 2.130 2.425 . 0 0 "[ . 1 ]" 1
47 1 3 DG H2'' 1 20 DG H1 6.500 4.000 6.500 6.461 6.126 6.716 0.216 2 0 "[ . 1 ]" 1
48 1 3 DG H3' 1 3 DG H8 4.500 2.500 4.800 4.257 3.614 4.828 0.028 10 0 "[ . 1 ]" 1
49 1 3 DG H3' 1 4 DG H8 4.500 2.500 4.800 4.775 4.368 5.129 0.329 1 0 "[ . 1 ]" 1
50 1 3 DG H4' 1 3 DG H5' 4.500 2.500 4.800 2.959 2.570 3.044 . 0 0 "[ . 1 ]" 1
51 1 3 DG H4' 1 3 DG H5'' 4.500 2.500 4.800 2.618 2.346 2.971 0.154 9 0 "[ . 1 ]" 1
52 1 3 DG H4' 1 3 DG H8 4.500 2.500 4.800 4.726 4.420 4.901 0.101 11 0 "[ . 1 ]" 1
53 1 3 DG H5'' 1 3 DG H8 4.500 2.500 4.800 3.309 2.567 4.167 . 0 0 "[ . 1 ]" 1
54 1 3 DG H8 1 19 DG H1 4.500 2.500 4.800 4.580 4.410 4.802 0.002 4 0 "[ . 1 ]" 1
55 1 3 DG H8 1 20 DG H1 4.500 2.500 4.800 5.208 4.672 5.563 0.763 10 4 "[ * -.* + ]" 1
56 1 4 DG H1 1 7 DG H2' 6.500 4.000 6.500 5.875 5.084 6.606 0.106 4 0 "[ . 1 ]" 1
57 1 4 DG H1 1 7 DG H8 6.500 4.000 6.500 5.704 5.240 6.302 . 0 0 "[ . 1 ]" 1
58 1 4 DG H1 1 9 DG H8 4.500 2.500 4.800 5.206 5.025 5.609 0.809 11 1 "[ . 1+]" 1
59 1 4 DG H1' 1 4 DG Q2' 3.000 2.500 3.200 2.290 2.227 2.338 0.273 1 0 "[ . 1 ]" 1
60 1 4 DG H1' 1 4 DG H3' 4.500 2.500 4.800 3.832 3.702 3.944 . 0 0 "[ . 1 ]" 1
61 1 4 DG H1' 1 4 DG H4' 4.500 2.500 4.800 2.918 2.521 3.594 . 0 0 "[ . 1 ]" 1
62 1 4 DG H1' 1 4 DG H8 4.500 2.500 4.800 3.883 3.818 3.920 . 0 0 "[ . 1 ]" 1
63 1 4 DG Q2' 1 4 DG H3' 4.500 2.500 4.800 2.183 2.121 2.221 0.379 11 0 "[ . 1 ]" 1
64 1 4 DG Q2' 1 4 DG H8 3.000 . 3.200 2.424 2.137 2.933 . 0 0 "[ . 1 ]" 1
65 1 4 DG Q2' 1 22 DA H2 4.500 2.500 4.800 4.156 3.372 4.710 . 0 0 "[ . 1 ]" 1
66 1 4 DG H3' 1 4 DG H4' 4.500 2.500 4.800 2.891 2.760 3.017 . 0 0 "[ . 1 ]" 1
67 1 4 DG H3' 1 4 DG H5'' 4.500 2.500 4.800 2.760 2.542 3.639 . 0 0 "[ . 1 ]" 1
68 1 4 DG H3' 1 4 DG H8 4.500 2.500 4.800 4.218 3.889 4.576 . 0 0 "[ . 1 ]" 1
69 1 4 DG H8 1 20 DG H1 4.500 2.500 4.800 5.058 4.878 5.172 0.372 5 0 "[ . 1 ]" 1
70 1 5 DC H1' 1 5 DC H2' 4.500 2.500 4.800 3.027 3.005 3.052 . 0 0 "[ . 1 ]" 1
71 1 5 DC H1' 1 5 DC H2'' 3.000 . 3.200 2.359 2.309 2.415 . 0 0 "[ . 1 ]" 1
72 1 5 DC H1' 1 5 DC H3' 4.500 2.500 4.800 3.816 3.703 3.894 . 0 0 "[ . 1 ]" 1
73 1 5 DC H1' 1 5 DC H4' 4.500 2.500 4.800 3.274 2.686 3.658 . 0 0 "[ . 1 ]" 1
74 1 5 DC H1' 1 5 DC H5' 4.500 2.500 4.800 4.594 3.983 4.968 0.168 3 0 "[ . 1 ]" 1
75 1 5 DC H1' 1 5 DC H5'' 4.500 2.500 4.800 4.479 4.127 4.809 0.009 8 0 "[ . 1 ]" 1
76 1 5 DC H1' 1 5 DC H6 4.500 2.500 4.800 3.626 3.482 3.748 . 0 0 "[ . 1 ]" 1
77 1 5 DC H1' 1 6 DG H3' 4.500 2.500 4.800 5.142 4.085 6.639 1.839 10 4 "[ - * * + ]" 1
78 1 5 DC H2' 1 5 DC H2'' 3.000 . 3.200 1.784 1.774 1.792 0.026 3 0 "[ . 1 ]" 1
79 1 5 DC H2' 1 5 DC H3' 4.500 2.500 4.800 2.311 2.248 2.426 0.252 11 0 "[ . 1 ]" 1
80 1 5 DC H2' 1 5 DC H5'' 4.500 2.500 4.800 3.542 2.282 4.609 0.218 3 0 "[ . 1 ]" 1
81 1 5 DC H2'' 1 6 DG H5'' 4.500 2.500 4.800 3.317 2.436 4.761 0.064 6 0 "[ . 1 ]" 1
82 1 5 DC H3' 1 5 DC H4' 4.500 2.500 4.800 2.792 2.654 2.920 . 0 0 "[ . 1 ]" 1
83 1 5 DC H3' 1 6 DG H8 6.500 4.000 6.500 5.759 4.145 6.786 0.286 4 0 "[ . 1 ]" 1
84 1 5 DC H4' 1 5 DC H6 4.500 2.500 4.800 4.322 4.125 4.682 . 0 0 "[ . 1 ]" 1
85 1 5 DC H5 1 5 DC H6 3.000 . 3.200 2.444 2.432 2.455 . 0 0 "[ . 1 ]" 1
86 1 6 DG H1 1 7 DG H1 4.500 2.500 4.800 3.737 3.528 3.945 . 0 0 "[ . 1 ]" 1
87 1 6 DG H1 1 11 DG H8 6.500 4.000 6.500 5.379 5.134 5.607 . 0 0 "[ . 1 ]" 1
88 1 6 DG H1' 1 6 DG H2' 3.000 . 3.200 3.013 2.989 3.044 . 0 0 "[ . 1 ]" 1
89 1 6 DG H1' 1 6 DG H2'' 3.000 . 3.200 2.325 2.286 2.366 . 0 0 "[ . 1 ]" 1
90 1 6 DG H1' 1 6 DG H3' 4.500 2.500 4.800 3.878 3.763 3.946 . 0 0 "[ . 1 ]" 1
91 1 6 DG H1' 1 6 DG H4' 4.500 2.500 4.800 3.520 3.313 3.721 . 0 0 "[ . 1 ]" 1
92 1 6 DG H1' 1 6 DG H5' 4.500 2.500 4.800 4.233 3.934 4.474 . 0 0 "[ . 1 ]" 1
93 1 6 DG H1' 1 6 DG H5'' 6.500 4.000 6.500 4.627 4.330 4.807 . 0 0 "[ . 1 ]" 1
94 1 6 DG H1' 1 6 DG H8 4.500 2.500 4.800 3.826 3.782 3.922 . 0 0 "[ . 1 ]" 1
95 1 6 DG H1' 1 7 DG H8 3.000 . 3.200 4.467 4.009 4.817 1.617 6 11 [****-+*****] 1
96 1 6 DG H2' 1 6 DG H2'' 3.000 . 3.200 1.787 1.775 1.796 0.025 4 0 "[ . 1 ]" 1
97 1 6 DG H2' 1 6 DG H3' 4.500 2.500 4.800 2.320 2.179 2.438 0.321 9 0 "[ . 1 ]" 1
98 1 6 DG H2' 1 6 DG H5' 4.500 2.500 4.800 2.577 2.405 2.782 0.095 7 0 "[ . 1 ]" 1
99 1 6 DG H2' 1 6 DG H8 4.500 2.500 4.800 3.188 2.653 3.526 . 0 0 "[ . 1 ]" 1
100 1 6 DG H2'' 1 6 DG H3' 4.500 2.500 4.800 2.719 2.696 2.749 . 0 0 "[ . 1 ]" 1
101 1 6 DG H2'' 1 6 DG H5' 4.500 2.500 4.800 4.038 3.914 4.187 . 0 0 "[ . 1 ]" 1
102 1 6 DG H2'' 1 6 DG H8 4.500 2.500 4.800 4.452 4.072 4.687 . 0 0 "[ . 1 ]" 1
103 1 6 DG H3' 1 6 DG H5' 3.000 . 3.200 2.723 2.318 3.202 0.002 7 0 "[ . 1 ]" 1
104 1 6 DG H3' 1 6 DG H5'' 4.500 2.500 4.800 3.608 3.537 3.649 . 0 0 "[ . 1 ]" 1
105 1 6 DG H3' 1 6 DG H8 4.500 2.500 4.800 4.694 4.340 5.041 0.241 7 0 "[ . 1 ]" 1
106 1 6 DG H4' 1 6 DG H5'' 3.000 . 3.200 2.502 2.349 2.744 . 0 0 "[ . 1 ]" 1
107 1 6 DG H4' 1 6 DG H8 6.500 4.000 6.500 4.459 4.260 4.623 . 0 0 "[ . 1 ]" 1
108 1 6 DG H5' 1 6 DG H8 4.500 2.500 4.800 2.647 2.105 3.526 0.395 6 0 "[ . 1 ]" 1
109 1 6 DG H5'' 1 6 DG H8 4.500 2.500 4.800 3.169 2.612 3.526 . 0 0 "[ . 1 ]" 1
110 1 7 DG H1 1 11 DG H2'' 6.500 4.000 6.500 6.345 5.904 7.117 0.617 4 1 "[ +. 1 ]" 1
111 1 7 DG H1 1 11 DG H8 6.500 4.000 6.500 5.495 5.146 5.822 . 0 0 "[ . 1 ]" 1
112 1 7 DG H1 1 12 DG H1 6.500 4.000 6.500 4.662 4.450 4.734 . 0 0 "[ . 1 ]" 1
113 1 7 DG H1 1 12 DG H8 4.500 2.500 4.800 4.422 4.265 4.865 0.065 4 0 "[ . 1 ]" 1
114 1 7 DG H1' 1 7 DG H2' 3.000 . 3.200 2.874 2.771 2.943 . 0 0 "[ . 1 ]" 1
115 1 7 DG H1' 1 7 DG H3' 4.500 2.500 4.800 3.830 3.779 3.891 . 0 0 "[ . 1 ]" 1
116 1 7 DG H1' 1 7 DG H4' 4.500 2.500 4.800 2.920 2.619 3.223 . 0 0 "[ . 1 ]" 1
117 1 7 DG H1' 1 7 DG H8 4.500 2.500 4.800 3.900 3.859 3.941 . 0 0 "[ . 1 ]" 1
118 1 7 DG H2' 1 7 DG H2'' 3.000 . 3.200 1.786 1.769 1.794 0.031 8 0 "[ . 1 ]" 1
119 1 7 DG H2' 1 7 DG H3' 4.500 2.500 4.800 2.344 2.312 2.404 0.188 8 0 "[ . 1 ]" 1
120 1 7 DG H2' 1 7 DG H8 4.500 2.500 4.800 2.861 2.353 3.633 0.147 8 0 "[ . 1 ]" 1
121 1 7 DG H2'' 1 7 DG H3' 4.500 2.500 4.800 3.022 3.006 3.042 . 0 0 "[ . 1 ]" 1
122 1 7 DG H3' 1 7 DG H8 3.000 . 3.200 2.846 2.420 3.122 . 0 0 "[ . 1 ]" 1
123 1 7 DG Q5' 1 7 DG H8 4.500 2.500 4.800 4.065 2.853 4.863 0.063 7 0 "[ . 1 ]" 1
124 1 7 DG H8 1 9 DG H8 6.500 4.000 6.500 5.172 4.603 5.816 . 0 0 "[ . 1 ]" 1
125 1 8 DT H1' 1 8 DT Q2' 3.000 . 3.200 2.252 2.188 2.301 . 0 0 "[ . 1 ]" 1
126 1 8 DT H1' 1 8 DT H3' 4.500 2.500 4.800 3.819 3.760 3.922 . 0 0 "[ . 1 ]" 1
127 1 8 DT H1' 1 8 DT H4' 4.500 2.500 4.800 3.326 3.001 3.896 . 0 0 "[ . 1 ]" 1
128 1 8 DT H1' 1 8 DT H5' 4.500 2.500 4.800 4.827 4.580 5.214 0.414 6 0 "[ . 1 ]" 1
129 1 8 DT H1' 1 8 DT H5'' 6.500 4.000 6.500 4.678 4.148 5.083 . 0 0 "[ . 1 ]" 1
130 1 8 DT H1' 1 8 DT H6 4.500 2.500 4.800 3.716 3.551 3.762 . 0 0 "[ . 1 ]" 1
131 1 8 DT H2' 1 8 DT H2'' 3.000 . 3.200 1.783 1.763 1.794 0.037 2 0 "[ . 1 ]" 1
132 1 8 DT Q2' 1 8 DT H3' 4.500 2.500 4.800 2.235 2.168 2.353 0.332 9 0 "[ . 1 ]" 1
133 1 8 DT Q2' 1 8 DT H6 3.000 . 3.200 2.388 2.113 3.150 . 0 0 "[ . 1 ]" 1
134 1 8 DT H3' 1 8 DT H4' 4.500 2.500 4.800 2.854 2.732 3.042 . 0 0 "[ . 1 ]" 1
135 1 8 DT H3' 1 8 DT H5'' 3.000 . 3.200 2.535 2.260 2.753 . 0 0 "[ . 1 ]" 1
136 1 8 DT H3' 1 8 DT H6 4.500 2.500 4.800 3.640 2.086 4.504 0.414 4 0 "[ . 1 ]" 1
137 1 8 DT H3' 1 9 DG H8 4.500 2.500 4.800 5.088 4.586 5.850 1.050 11 3 "[ - * 1+]" 1
138 1 8 DT H4' 1 8 DT H6 4.500 2.500 4.800 4.551 4.066 4.804 0.004 2 0 "[ . 1 ]" 1
139 1 8 DT H5' 1 9 DG H8 4.500 2.500 4.800 4.242 2.718 5.246 0.446 9 0 "[ . 1 ]" 1
140 1 8 DT H6 1 8 DT M7 3.000 . 3.200 2.237 2.208 2.261 . 0 0 "[ . 1 ]" 1
141 1 9 DG H1 1 10 DT H1' 4.500 2.500 4.800 5.423 4.767 6.317 1.517 7 6 "[ *-***+ 1 ]" 1
142 1 9 DG H1 1 12 DG Q2' 4.500 2.500 4.800 4.914 4.507 5.683 0.883 11 2 "[ . -1+]" 1
143 1 9 DG H1 1 12 DG H8 4.500 2.500 4.800 4.896 4.506 5.352 0.552 11 1 "[ . 1+]" 1
144 1 9 DG H1 1 13 DG H8 4.500 2.500 4.800 5.136 4.890 5.449 0.649 11 2 "[ . -1+]" 1
145 1 9 DG H1' 1 9 DG H2' 4.500 2.500 4.800 3.015 2.981 3.041 . 0 0 "[ . 1 ]" 1
146 1 9 DG H1' 1 9 DG H2'' 3.000 . 3.200 2.339 2.302 2.364 . 0 0 "[ . 1 ]" 1
147 1 9 DG H1' 1 9 DG H3' 4.500 2.500 4.800 3.888 3.777 3.990 . 0 0 "[ . 1 ]" 1
148 1 9 DG H1' 1 9 DG H4' 4.500 2.500 4.800 3.575 3.329 3.798 . 0 0 "[ . 1 ]" 1
149 1 9 DG H1' 1 9 DG H5' 4.500 2.500 4.800 4.144 3.910 4.371 . 0 0 "[ . 1 ]" 1
150 1 9 DG H1' 1 9 DG H5'' 6.500 4.000 6.500 4.644 4.534 4.718 . 0 0 "[ . 1 ]" 1
151 1 9 DG H1' 1 9 DG H8 4.500 2.500 4.800 3.690 3.519 3.817 . 0 0 "[ . 1 ]" 1
152 1 9 DG H2' 1 9 DG H2'' 3.000 . 3.200 1.785 1.765 1.801 0.035 10 0 "[ . 1 ]" 1
153 1 9 DG H2'' 1 9 DG H8 4.500 2.500 4.800 4.717 4.356 4.861 0.061 6 0 "[ . 1 ]" 1
154 1 9 DG Q2 1 10 DT M7 4.500 2.500 4.800 5.746 5.461 6.080 1.280 4 11 [***+***-***] 1
155 1 9 DG H3' 1 9 DG H8 6.500 4.000 6.500 5.025 4.765 5.307 . 0 0 "[ . 1 ]" 1
156 1 9 DG H4' 1 9 DG H8 4.500 2.500 4.800 4.255 4.059 4.519 . 0 0 "[ . 1 ]" 1
157 1 9 DG H5' 1 9 DG H8 3.000 . 3.200 2.892 2.334 3.609 0.409 5 0 "[ . 1 ]" 1
158 1 9 DG H5'' 1 9 DG H8 4.500 2.500 4.800 3.081 2.636 3.519 . 0 0 "[ . 1 ]" 1
159 1 10 DT H1' 1 10 DT Q2' 3.000 . 3.200 2.181 2.150 2.244 . 0 0 "[ . 1 ]" 1
160 1 10 DT H1' 1 10 DT H3' 4.500 2.500 4.800 3.957 3.868 4.103 . 0 0 "[ . 1 ]" 1
161 1 10 DT H1' 1 10 DT H4' 4.500 2.500 4.800 3.424 2.580 3.856 . 0 0 "[ . 1 ]" 1
162 1 10 DT H1' 1 10 DT H6 4.500 2.500 4.800 3.713 3.639 3.785 . 0 0 "[ . 1 ]" 1
163 1 10 DT H1' 1 10 DT M7 6.500 4.000 6.500 5.160 5.091 5.226 . 0 0 "[ . 1 ]" 1
164 1 10 DT Q2' 1 10 DT H4' 4.500 2.500 4.800 3.047 2.653 3.402 . 0 0 "[ . 1 ]" 1
165 1 10 DT Q2' 1 10 DT H6 3.000 . 3.200 2.269 2.141 2.571 . 0 0 "[ . 1 ]" 1
166 1 10 DT H3' 1 10 DT H6 4.500 2.500 4.800 2.543 2.062 3.849 0.438 6 0 "[ . 1 ]" 1
167 1 10 DT H4' 1 10 DT H6 4.500 2.500 4.800 4.546 4.330 4.897 0.097 3 0 "[ . 1 ]" 1
168 1 10 DT H5' 1 10 DT H5'' 3.000 . 3.200 1.766 1.760 1.776 0.040 1 0 "[ . 1 ]" 1
169 1 10 DT H5' 1 10 DT H6 4.500 2.500 4.800 3.860 2.388 5.291 0.491 3 0 "[ . 1 ]" 1
170 1 10 DT H5'' 1 10 DT H6 4.500 2.500 4.800 3.497 2.852 4.713 . 0 0 "[ . 1 ]" 1
171 1 10 DT H6 1 10 DT M7 3.000 . 3.200 2.223 2.207 2.241 . 0 0 "[ . 1 ]" 1
172 1 10 DT M7 1 13 DG H8 6.500 4.000 6.500 6.357 5.576 7.315 0.815 4 1 "[ +. 1 ]" 1
173 1 11 DG H1 1 12 DG H1 4.500 2.500 4.800 3.668 3.477 3.920 . 0 0 "[ . 1 ]" 1
174 1 11 DG H1 1 12 DG H8 6.500 4.000 6.500 5.956 5.508 6.259 . 0 0 "[ . 1 ]" 1
175 1 11 DG H1 1 17 DA H8 6.500 4.000 6.500 6.233 4.289 7.238 0.738 11 1 "[ . 1+]" 1
176 1 11 DG H1 1 18 DG H8 4.500 2.500 4.800 5.345 5.047 5.577 0.777 8 7 "[ *-*.**+ 1*]" 1
177 1 11 DG H1' 1 11 DG H2' 3.000 . 3.200 3.006 2.979 3.037 . 0 0 "[ . 1 ]" 1
178 1 11 DG H1' 1 11 DG H2'' 3.000 . 3.200 2.343 2.293 2.451 . 0 0 "[ . 1 ]" 1
179 1 11 DG H1' 1 11 DG H3' 4.500 2.500 4.800 3.863 3.759 3.952 . 0 0 "[ . 1 ]" 1
180 1 11 DG H1' 1 11 DG H4' 4.500 2.500 4.800 3.317 2.880 3.660 . 0 0 "[ . 1 ]" 1
181 1 11 DG H1' 1 11 DG H5' 4.500 2.500 4.800 4.379 4.127 4.695 . 0 0 "[ . 1 ]" 1
182 1 11 DG H1' 1 11 DG H5'' 4.500 2.500 4.800 4.666 4.300 5.026 0.226 3 0 "[ . 1 ]" 1
183 1 11 DG H1' 1 11 DG H8 4.500 2.500 4.800 3.791 3.694 3.865 . 0 0 "[ . 1 ]" 1
184 1 11 DG H1' 1 12 DG H8 4.500 2.500 4.800 4.569 4.294 4.825 0.025 1 0 "[ . 1 ]" 1
185 1 11 DG H2' 1 11 DG H2'' 3.000 . 3.200 1.786 1.771 1.803 0.029 11 0 "[ . 1 ]" 1
186 1 11 DG H2' 1 11 DG H8 4.500 2.500 4.800 3.326 2.878 3.595 . 0 0 "[ . 1 ]" 1
187 1 11 DG H2'' 1 11 DG H3' 4.500 2.500 4.800 2.747 2.695 2.810 . 0 0 "[ . 1 ]" 1
188 1 11 DG H2'' 1 11 DG H8 4.500 2.500 4.800 4.542 4.201 4.673 . 0 0 "[ . 1 ]" 1
189 1 11 DG H22 1 12 DG H1' 6.500 4.000 6.500 5.346 4.866 5.865 . 0 0 "[ . 1 ]" 1
190 1 11 DG H22 1 17 DA H1' 6.500 4.000 6.500 4.595 3.594 5.885 0.406 4 0 "[ . 1 ]" 1
191 1 11 DG H3' 1 11 DG H4' 4.500 2.500 4.800 2.790 2.694 2.930 . 0 0 "[ . 1 ]" 1
192 1 11 DG H3' 1 11 DG H8 4.500 2.500 4.800 4.735 4.471 5.245 0.445 5 0 "[ . 1 ]" 1
193 1 11 DG H4' 1 11 DG H5'' 3.000 . 3.200 2.488 2.383 2.646 . 0 0 "[ . 1 ]" 1
194 1 11 DG H4' 1 11 DG H8 4.500 2.500 4.800 4.485 4.289 4.673 . 0 0 "[ . 1 ]" 1
195 1 11 DG H5' 1 11 DG H8 4.500 2.500 4.800 3.139 2.254 4.070 0.246 10 0 "[ . 1 ]" 1
196 1 11 DG H5'' 1 11 DG H8 4.500 2.500 4.800 3.631 2.360 5.024 0.224 9 0 "[ . 1 ]" 1
197 1 11 DG H8 1 12 DG H8 4.500 2.500 4.800 4.984 4.572 5.512 0.712 1 1 "[+ . 1 ]" 1
198 1 12 DG H1 1 13 DG H1 6.500 4.000 6.500 3.628 3.376 3.815 0.624 9 1 "[ . +1 ]" 1
199 1 12 DG H1 1 18 DG H2' 6.500 4.000 6.500 5.759 4.966 6.481 . 0 0 "[ . 1 ]" 1
200 1 12 DG H1 1 18 DG H2'' 6.500 4.000 6.500 6.454 6.005 7.033 0.533 8 1 "[ . + 1 ]" 1
201 1 12 DG H1 1 18 DG H8 6.500 4.000 6.500 5.380 4.791 6.024 . 0 0 "[ . 1 ]" 1
202 1 12 DG H1 1 19 DG H8 4.500 2.500 4.800 4.520 4.134 4.813 0.013 5 0 "[ . 1 ]" 1
203 1 12 DG H1' 1 12 DG Q2' 3.000 . 3.200 2.335 2.250 2.368 . 0 0 "[ . 1 ]" 1
204 1 12 DG H1' 1 12 DG Q5' 4.500 2.500 4.800 4.068 3.965 4.187 . 0 0 "[ . 1 ]" 1
205 1 12 DG H1' 1 12 DG H8 4.500 2.500 4.800 3.877 3.859 3.908 . 0 0 "[ . 1 ]" 1
206 1 12 DG H1' 1 13 DG H8 4.500 2.500 4.800 2.852 2.405 3.068 0.095 5 0 "[ . 1 ]" 1
207 1 12 DG Q2' 1 12 DG Q5' 4.500 2.500 4.800 2.743 2.400 3.408 0.100 5 0 "[ . 1 ]" 1
208 1 12 DG Q2' 1 12 DG H8 3.000 . 3.200 2.240 2.091 2.351 . 0 0 "[ . 1 ]" 1
209 1 12 DG H3' 1 12 DG H8 4.500 2.500 4.800 4.520 4.010 4.692 . 0 0 "[ . 1 ]" 1
210 1 12 DG H4' 1 12 DG H8 4.500 2.500 4.800 5.180 5.032 5.322 0.522 5 1 "[ + 1 ]" 1
211 1 12 DG Q5' 1 12 DG H8 4.500 2.500 4.800 3.825 3.140 4.605 . 0 0 "[ . 1 ]" 1
212 1 12 DG H8 1 13 DG H8 6.500 4.000 6.500 5.261 4.804 5.483 . 0 0 "[ . 1 ]" 1
213 1 13 DG H1 1 19 DG Q2' 4.500 4.000 4.800 5.237 4.700 5.965 1.165 9 5 "[ ** .- *+1 ]" 1
214 1 13 DG H1 1 20 DG H8 4.500 2.500 4.800 5.264 4.925 5.566 0.766 2 5 "[-+ .* **]" 1
215 1 13 DG H1' 1 13 DG Q2' 3.000 . 3.200 2.271 2.223 2.312 . 0 0 "[ . 1 ]" 1
216 1 13 DG H1' 1 13 DG H3' 4.500 2.500 4.800 3.829 3.745 3.958 . 0 0 "[ . 1 ]" 1
217 1 13 DG H1' 1 13 DG H4' 4.500 2.500 4.800 3.243 2.569 3.536 . 0 0 "[ . 1 ]" 1
218 1 13 DG H1' 1 13 DG H5' 6.500 4.000 6.500 4.642 4.381 4.721 . 0 0 "[ . 1 ]" 1
219 1 13 DG H1' 1 13 DG H5'' 6.500 4.000 6.500 4.944 4.727 5.083 . 0 0 "[ . 1 ]" 1
220 1 13 DG H1' 1 13 DG H8 4.500 2.500 4.800 3.894 3.848 3.920 . 0 0 "[ . 1 ]" 1
221 1 13 DG Q2' 1 13 DG H4' 4.500 2.500 4.800 3.472 3.211 3.523 . 0 0 "[ . 1 ]" 1
222 1 13 DG Q2' 1 13 DG H5'' 4.500 2.500 4.800 3.702 3.432 4.373 . 0 0 "[ . 1 ]" 1
223 1 13 DG Q2' 1 13 DG H8 3.000 . 3.200 2.667 2.330 2.960 . 0 0 "[ . 1 ]" 1
224 1 13 DG H3' 1 13 DG H8 4.500 2.500 4.800 4.446 4.010 4.713 . 0 0 "[ . 1 ]" 1
225 1 13 DG H3' 1 14 DA H8 6.500 4.000 6.500 5.568 4.493 5.968 . 0 0 "[ . 1 ]" 1
226 1 13 DG H4' 1 13 DG H5' 3.000 . 3.200 2.418 2.381 2.480 . 0 0 "[ . 1 ]" 1
227 1 13 DG H4' 1 13 DG H5'' 3.000 . 3.200 2.464 2.358 2.517 . 0 0 "[ . 1 ]" 1
228 1 13 DG H4' 1 13 DG H8 4.500 2.500 4.800 4.745 4.612 4.864 0.064 9 0 "[ . 1 ]" 1
229 1 13 DG H4' 1 14 DA Q2' 6.500 4.000 6.500 5.234 4.611 5.770 . 0 0 "[ . 1 ]" 1
230 1 13 DG H4' 1 14 DA H8 4.500 2.500 4.800 4.170 3.340 4.843 0.043 6 0 "[ . 1 ]" 1
231 1 13 DG H5' 1 13 DG H5'' 3.000 . 3.200 1.764 1.738 1.772 0.062 11 0 "[ . 1 ]" 1
232 1 13 DG H5' 1 13 DG H8 4.500 2.500 4.800 3.994 3.686 4.567 . 0 0 "[ . 1 ]" 1
233 1 13 DG H5' 1 14 DA H8 4.500 2.500 4.800 3.799 3.223 4.876 0.076 6 0 "[ . 1 ]" 1
234 1 13 DG H5'' 1 13 DG H8 4.500 2.500 4.800 4.628 4.325 5.457 0.657 11 1 "[ . 1+]" 1
235 1 13 DG H5'' 1 14 DA H8 4.500 2.500 4.800 3.645 2.210 4.097 0.290 11 0 "[ . 1 ]" 1
236 1 14 DA H1' 1 14 DA Q2' 3.000 . 3.200 2.187 2.110 2.207 . 0 0 "[ . 1 ]" 1
237 1 14 DA H1' 1 14 DA H4' 4.500 2.500 4.800 3.912 3.858 3.988 . 0 0 "[ . 1 ]" 1
238 1 14 DA H1' 1 14 DA H5' 6.500 4.000 6.500 4.812 3.979 5.222 0.021 11 0 "[ . 1 ]" 1
239 1 14 DA H1' 1 14 DA H5'' 6.500 4.000 6.500 4.174 3.918 4.398 0.082 3 0 "[ . 1 ]" 1
240 1 14 DA H1' 1 14 DA H8 4.500 2.500 4.800 3.706 3.494 3.870 . 0 0 "[ . 1 ]" 1
241 1 14 DA H1' 1 15 DA H8 4.500 2.500 4.800 4.421 2.953 6.149 1.349 5 3 "[ +* -1 ]" 1
242 1 14 DA H2' 1 14 DA H2'' 3.000 . 3.200 1.777 1.763 1.794 0.037 8 0 "[ . 1 ]" 1
243 1 14 DA Q2' 1 14 DA H4' 4.500 2.500 4.800 3.266 3.119 3.379 . 0 0 "[ . 1 ]" 1
244 1 14 DA Q2' 1 14 DA H5' 4.500 2.500 4.800 3.974 3.457 4.326 . 0 0 "[ . 1 ]" 1
245 1 14 DA Q2' 1 14 DA H8 3.000 . 3.200 2.260 2.068 2.510 . 0 0 "[ . 1 ]" 1
246 1 14 DA Q2' 1 15 DA H4' 6.500 4.000 6.500 4.754 4.425 5.148 . 0 0 "[ . 1 ]" 1
247 1 14 DA Q2' 1 15 DA H8 4.500 2.500 4.800 2.784 2.044 4.053 0.456 1 0 "[ . 1 ]" 1
248 1 14 DA H3' 1 14 DA H8 4.500 2.500 4.800 2.739 2.160 3.348 0.340 10 0 "[ . 1 ]" 1
249 1 14 DA H3' 1 15 DA H8 6.500 4.000 6.500 4.827 4.300 6.003 . 0 0 "[ . 1 ]" 1
250 1 14 DA H4' 1 14 DA H8 4.500 2.500 4.800 4.849 4.400 5.304 0.504 8 1 "[ . + 1 ]" 1
251 1 14 DA H5' 1 14 DA H5'' 3.000 . 3.200 1.767 1.757 1.780 0.043 2 0 "[ . 1 ]" 1
252 1 14 DA H5' 1 14 DA H8 4.500 2.500 4.800 3.779 3.095 4.697 . 0 0 "[ . 1 ]" 1
253 1 14 DA H5'' 1 14 DA H8 4.500 2.500 4.800 3.444 2.379 4.935 0.135 8 0 "[ . 1 ]" 1
254 1 15 DA H1' 1 15 DA H2' 4.500 2.500 4.800 2.979 2.824 3.042 . 0 0 "[ . 1 ]" 1
255 1 15 DA H1' 1 15 DA H2'' 3.000 . 3.200 2.301 2.251 2.365 . 0 0 "[ . 1 ]" 1
256 1 15 DA H1' 1 15 DA H3' 4.500 2.500 4.800 4.002 3.878 4.129 . 0 0 "[ . 1 ]" 1
257 1 15 DA H1' 1 15 DA H4' 4.500 2.500 4.800 3.769 3.480 3.905 . 0 0 "[ . 1 ]" 1
258 1 15 DA H1' 1 15 DA Q5' 4.500 2.500 4.800 3.756 3.693 3.866 . 0 0 "[ . 1 ]" 1
259 1 15 DA H1' 1 15 DA H8 4.500 2.500 4.800 3.618 3.112 3.921 . 0 0 "[ . 1 ]" 1
260 1 15 DA H1' 1 16 DT H6 6.500 4.000 6.500 5.922 5.203 7.297 0.797 3 1 "[ + . 1 ]" 1
261 1 15 DA H2' 1 15 DA H2'' 3.000 . 3.200 1.780 1.767 1.793 0.033 5 0 "[ . 1 ]" 1
262 1 15 DA H2' 1 15 DA H8 3.000 . 3.200 2.254 2.056 2.757 . 0 0 "[ . 1 ]" 1
263 1 15 DA H2'' 1 15 DA H8 3.000 . 3.200 3.340 2.686 3.979 0.779 3 3 "[ + . * 1-]" 1
264 1 15 DA H2'' 1 16 DT H6 4.500 2.500 4.800 3.826 2.854 5.208 0.408 3 0 "[ . 1 ]" 1
265 1 15 DA H3' 1 15 DA H4' 4.500 2.500 4.800 2.722 2.654 2.844 . 0 0 "[ . 1 ]" 1
266 1 15 DA H3' 1 15 DA H8 4.500 2.500 4.800 4.191 2.882 4.937 0.137 5 0 "[ . 1 ]" 1
267 1 15 DA H4' 1 15 DA H8 6.500 4.000 6.500 5.260 4.485 5.863 . 0 0 "[ . 1 ]" 1
268 1 15 DA H4' 1 16 DT H6 6.500 4.000 6.500 6.091 5.524 7.037 0.537 7 1 "[ . + 1 ]" 1
269 1 15 DA Q5' 1 15 DA H8 4.500 2.500 4.800 3.085 2.117 4.218 0.383 8 0 "[ . 1 ]" 1
270 1 16 DT H1' 1 16 DT Q2' 3.000 2.500 3.200 2.242 2.167 2.331 0.333 9 0 "[ . 1 ]" 1
271 1 16 DT H1' 1 16 DT H3' 4.500 2.500 4.800 3.863 3.673 4.004 . 0 0 "[ . 1 ]" 1
272 1 16 DT H1' 1 16 DT H4' 4.500 2.500 4.800 3.290 2.521 3.726 . 0 0 "[ . 1 ]" 1
273 1 16 DT H1' 1 16 DT H5' 4.500 2.500 4.800 4.297 3.993 5.092 0.292 8 0 "[ . 1 ]" 1
274 1 16 DT H1' 1 16 DT H6 4.500 2.500 4.800 3.739 3.653 3.773 . 0 0 "[ . 1 ]" 1
275 1 16 DT H1' 1 17 DA Q5' 4.500 2.500 4.800 4.004 3.106 4.576 . 0 0 "[ . 1 ]" 1
276 1 16 DT H1' 1 17 DA H8 4.500 2.500 4.800 4.740 3.665 5.844 1.044 9 3 "[ .-* +1 ]" 1
277 1 16 DT H2' 1 16 DT H2'' 3.000 . 3.200 1.784 1.769 1.800 0.031 10 0 "[ . 1 ]" 1
278 1 16 DT Q2' 1 17 DA H8 4.500 2.500 4.800 3.138 2.333 4.890 0.167 8 0 "[ . 1 ]" 1
279 1 16 DT H3' 1 16 DT H6 6.500 4.000 6.500 4.042 3.651 4.767 0.349 3 0 "[ . 1 ]" 1
280 1 16 DT H4' 1 16 DT H6 4.500 2.500 4.800 4.518 4.235 4.793 . 0 0 "[ . 1 ]" 1
281 1 16 DT H5' 1 16 DT H5'' 3.000 . 3.200 1.757 1.743 1.773 0.057 9 0 "[ . 1 ]" 1
282 1 16 DT H5' 1 16 DT H6 4.500 2.500 4.800 2.951 2.063 4.316 0.437 1 0 "[ . 1 ]" 1
283 1 16 DT H5'' 1 16 DT H6 4.500 2.500 4.800 4.082 3.040 5.388 0.588 4 1 "[ +. 1 ]" 1
284 1 16 DT H6 1 16 DT M7 3.000 . 3.200 2.238 2.220 2.260 . 0 0 "[ . 1 ]" 1
285 1 17 DA H1' 1 17 DA H3' 4.500 2.500 4.800 3.936 3.746 4.078 . 0 0 "[ . 1 ]" 1
286 1 17 DA H1' 1 17 DA H4' 4.500 2.500 4.800 3.603 2.925 3.869 . 0 0 "[ . 1 ]" 1
287 1 17 DA H1' 1 17 DA Q5' 6.500 4.000 6.500 3.855 3.681 4.067 0.319 2 0 "[ . 1 ]" 1
288 1 17 DA H1' 1 17 DA H8 4.500 2.500 4.800 3.558 3.047 3.910 . 0 0 "[ . 1 ]" 1
289 1 17 DA H2'' 1 17 DA H3' 4.500 2.500 4.800 2.792 2.691 3.034 . 0 0 "[ . 1 ]" 1
290 1 17 DA H2'' 1 17 DA H8 3.000 . 3.200 3.216 2.689 3.873 0.673 4 3 "[ *+. 1-]" 1
291 1 17 DA H3' 1 17 DA H8 4.500 2.500 4.800 4.161 2.280 4.861 0.220 3 0 "[ . 1 ]" 1
292 1 17 DA H5' 1 17 DA H5'' 3.000 . 3.200 1.756 1.739 1.773 0.061 11 0 "[ . 1 ]" 1
293 1 17 DA Q5' 1 17 DA H8 4.500 2.500 4.800 3.635 2.325 4.969 0.175 11 0 "[ . 1 ]" 1
294 1 18 DG H1' 1 18 DG H2' 4.500 2.500 4.800 2.968 2.900 3.022 . 0 0 "[ . 1 ]" 1
295 1 18 DG H1' 1 18 DG H2'' 3.000 . 3.200 2.291 2.260 2.331 . 0 0 "[ . 1 ]" 1
296 1 18 DG H1' 1 18 DG H3' 4.500 2.500 4.800 3.994 3.908 4.084 . 0 0 "[ . 1 ]" 1
297 1 18 DG H1' 1 18 DG H4' 4.500 2.500 4.800 3.671 3.321 3.869 . 0 0 "[ . 1 ]" 1
298 1 18 DG H1' 1 18 DG H5'' 4.500 2.500 4.800 4.248 4.069 4.471 . 0 0 "[ . 1 ]" 1
299 1 18 DG H1' 1 18 DG H8 4.500 2.500 4.800 3.891 3.814 3.944 . 0 0 "[ . 1 ]" 1
300 1 18 DG H2' 1 18 DG H2'' 3.000 . 3.200 1.776 1.761 1.798 0.039 1 0 "[ . 1 ]" 1
301 1 18 DG H2' 1 18 DG H3' 4.500 2.500 4.800 2.257 2.203 2.336 0.297 10 0 "[ . 1 ]" 1
302 1 18 DG H2' 1 18 DG H8 3.000 . 3.200 2.642 2.261 3.359 0.159 10 0 "[ . 1 ]" 1
303 1 18 DG H2'' 1 18 DG H5'' 4.500 2.500 4.800 4.454 3.931 5.119 0.319 11 0 "[ . 1 ]" 1
304 1 18 DG H2'' 1 18 DG H8 4.500 2.500 4.800 4.117 3.811 4.588 . 0 0 "[ . 1 ]" 1
305 1 18 DG H3' 1 18 DG H4' 4.500 2.500 4.800 2.759 2.703 2.850 . 0 0 "[ . 1 ]" 1
306 1 18 DG H3' 1 18 DG H8 4.500 2.500 4.800 3.936 3.315 4.356 . 0 0 "[ . 1 ]" 1
307 1 18 DG H3' 1 19 DG H8 4.500 2.500 4.800 4.858 3.874 5.631 0.831 7 2 "[ . +- 1 ]" 1
308 1 18 DG H4' 1 18 DG H8 4.500 2.500 4.800 4.556 4.308 4.853 0.053 7 0 "[ . 1 ]" 1
309 1 18 DG H5'' 1 18 DG H8 4.500 2.500 4.800 2.559 2.052 3.868 0.448 6 0 "[ . 1 ]" 1
310 1 19 DG H1 1 20 DG H1 4.500 2.500 4.800 3.668 3.515 3.838 . 0 0 "[ . 1 ]" 1
311 1 19 DG H1' 1 19 DG H3' 4.500 2.500 4.800 3.790 3.639 3.903 . 0 0 "[ . 1 ]" 1
312 1 19 DG H1' 1 19 DG H8 4.500 2.500 4.800 3.881 3.835 3.902 . 0 0 "[ . 1 ]" 1
313 1 19 DG H1' 1 20 DG H8 4.500 2.500 4.800 3.617 2.886 4.262 . 0 0 "[ . 1 ]" 1
314 1 19 DG Q2' 1 19 DG H8 3.000 . 3.200 2.582 2.336 3.088 . 0 0 "[ . 1 ]" 1
315 1 19 DG H3' 1 19 DG H5'' 4.500 2.500 4.800 2.439 2.314 2.537 0.186 11 0 "[ . 1 ]" 1
316 1 19 DG H3' 1 19 DG H8 4.500 2.500 4.800 4.405 3.681 4.706 . 0 0 "[ . 1 ]" 1
317 1 19 DG H3' 1 20 DG H8 4.500 2.500 4.800 4.566 3.983 4.949 0.149 8 0 "[ . 1 ]" 1
318 1 19 DG H5' 1 19 DG H5'' 3.000 . 3.200 1.772 1.763 1.801 0.037 1 0 "[ . 1 ]" 1
319 1 19 DG H5' 1 19 DG H8 4.500 2.500 4.800 5.205 4.743 5.569 0.769 4 5 "[ **+. -* 1 ]" 1
320 1 19 DG H5'' 1 19 DG H8 4.500 2.500 4.800 3.655 3.121 4.071 . 0 0 "[ . 1 ]" 1
321 1 19 DG H8 1 20 DG H8 4.500 2.500 4.800 5.172 4.442 5.498 0.698 2 5 "[*+ *. - * ]" 1
322 1 20 DG H1 1 21 DA H8 6.500 4.000 6.500 5.356 4.660 6.994 0.494 3 0 "[ . 1 ]" 1
323 1 20 DG H1 1 22 DA H2 4.500 2.500 4.800 4.244 3.420 5.345 0.545 2 1 "[ + . 1 ]" 1
324 1 20 DG H1' 1 20 DG Q2' 3.000 2.500 3.200 2.259 2.169 2.348 0.331 2 0 "[ . 1 ]" 1
325 1 20 DG H1' 1 20 DG H3' 4.500 2.500 4.800 3.865 3.722 3.998 . 0 0 "[ . 1 ]" 1
326 1 20 DG H1' 1 20 DG H4' 4.500 2.500 4.800 3.189 2.727 3.475 . 0 0 "[ . 1 ]" 1
327 1 20 DG H1' 1 20 DG H5'' 4.500 2.500 4.800 4.834 4.178 5.071 0.271 2 0 "[ . 1 ]" 1
328 1 20 DG H1' 1 20 DG H8 4.500 2.500 4.800 3.889 3.859 3.914 . 0 0 "[ . 1 ]" 1
329 1 20 DG H1' 1 21 DA H8 4.500 2.500 4.800 3.265 2.209 4.466 0.291 5 0 "[ . 1 ]" 1
330 1 20 DG H2' 1 20 DG H2'' 3.000 . 3.200 1.791 1.781 1.802 0.019 5 0 "[ . 1 ]" 1
331 1 20 DG Q2' 1 20 DG H4' 4.500 2.500 4.800 3.432 3.240 3.501 . 0 0 "[ . 1 ]" 1
332 1 20 DG Q2' 1 20 DG H5' 4.500 2.500 4.800 3.978 2.478 4.560 0.022 5 0 "[ . 1 ]" 1
333 1 20 DG Q2' 1 20 DG H8 3.000 . 3.200 2.638 2.283 2.913 . 0 0 "[ . 1 ]" 1
334 1 20 DG Q2' 1 21 DA H8 4.500 2.500 4.800 3.290 2.507 4.189 . 0 0 "[ . 1 ]" 1
335 1 20 DG H3' 1 20 DG H8 4.500 2.500 4.800 4.289 3.576 4.736 . 0 0 "[ . 1 ]" 1
336 1 20 DG H4' 1 20 DG H8 4.500 2.500 4.800 4.765 4.484 5.061 0.261 3 0 "[ . 1 ]" 1
337 1 20 DG H5' 1 20 DG H5'' 3.000 . 3.200 1.767 1.744 1.779 0.056 5 0 "[ . 1 ]" 1
338 1 20 DG H5' 1 20 DG H8 4.500 2.500 4.800 4.188 3.661 4.617 . 0 0 "[ . 1 ]" 1
339 1 20 DG H8 1 21 DA Q5' 6.500 4.000 6.500 5.826 5.125 7.413 0.913 4 1 "[ +. 1 ]" 1
340 1 21 DA H1' 1 21 DA H2' 4.500 2.500 4.800 3.014 2.931 3.058 . 0 0 "[ . 1 ]" 1
341 1 21 DA H1' 1 21 DA H2'' 3.000 . 3.200 2.333 2.242 2.411 . 0 0 "[ . 1 ]" 1
342 1 21 DA H1' 1 21 DA H4' 4.500 2.500 4.800 3.460 2.670 3.848 . 0 0 "[ . 1 ]" 1
343 1 21 DA H1' 1 21 DA Q5' 4.500 2.500 4.800 4.125 3.825 4.307 . 0 0 "[ . 1 ]" 1
344 1 21 DA H1' 1 21 DA H8 4.500 2.500 4.800 3.626 3.225 3.924 . 0 0 "[ . 1 ]" 1
345 1 21 DA H1' 1 22 DA H2 6.500 4.000 6.500 6.089 4.377 8.349 1.849 2 2 "[ + . -1 ]" 1
346 1 21 DA H2' 1 21 DA H2'' 3.000 . 3.200 1.783 1.759 1.795 0.041 5 0 "[ . 1 ]" 1
347 1 21 DA H2' 1 21 DA H8 3.000 . 3.200 2.376 2.083 2.811 . 0 0 "[ . 1 ]" 1
348 1 21 DA H2'' 1 21 DA H4' 4.500 2.500 4.800 4.035 3.836 4.139 . 0 0 "[ . 1 ]" 1
349 1 21 DA H2'' 1 21 DA Q5' 4.500 2.500 4.800 3.963 3.660 4.485 . 0 0 "[ . 1 ]" 1
350 1 21 DA H2'' 1 21 DA H8 3.000 . 3.200 3.214 2.542 3.993 0.793 3 2 "[ +-. 1 ]" 1
351 1 21 DA H3' 1 21 DA H8 4.500 2.500 4.800 4.461 3.767 5.012 0.212 1 0 "[ . 1 ]" 1
352 1 21 DA H3' 1 22 DA H8 4.500 2.500 4.800 4.622 3.609 5.776 0.976 1 3 "[+ - . * 1 ]" 1
353 1 21 DA H4' 1 21 DA H8 4.500 2.500 4.800 5.395 4.516 5.879 1.079 1 7 "[+- . *****]" 1
354 1 21 DA H4' 1 22 DA H4' 4.500 2.500 4.800 5.070 3.406 6.696 1.896 2 4 "[ + .* *- ]" 1
355 1 21 DA Q5' 1 21 DA H8 4.500 2.500 4.800 4.036 2.300 5.469 0.669 8 1 "[ . + 1 ]" 1
356 1 22 DA H1' 1 22 DA H2 4.500 2.500 4.800 4.424 4.347 4.498 . 0 0 "[ . 1 ]" 1
357 1 22 DA H1' 1 22 DA H2' 4.500 2.500 4.800 3.037 3.011 3.063 . 0 0 "[ . 1 ]" 1
358 1 22 DA H1' 1 22 DA H2'' 3.000 . 3.200 2.369 2.325 2.423 . 0 0 "[ . 1 ]" 1
359 1 22 DA H1' 1 22 DA H8 4.500 2.500 4.800 3.922 3.898 3.936 . 0 0 "[ . 1 ]" 1
360 1 22 DA H2' 1 22 DA H2'' 3.000 . 3.200 1.792 1.785 1.800 0.015 4 0 "[ . 1 ]" 1
361 1 22 DA H2' 1 22 DA H4' 4.500 2.500 4.800 3.844 3.826 3.864 . 0 0 "[ . 1 ]" 1
362 1 22 DA H2' 1 22 DA H8 3.000 . 3.200 2.596 2.334 2.886 . 0 0 "[ . 1 ]" 1
363 1 22 DA H2'' 1 22 DA H8 4.500 2.500 4.800 3.975 3.671 4.296 . 0 0 "[ . 1 ]" 1
364 1 22 DA H4' 1 22 DA H8 4.500 2.500 4.800 4.851 4.494 5.142 0.342 7 0 "[ . 1 ]" 1
365 1 22 DA H5' 1 22 DA H8 4.500 2.500 4.800 4.588 3.963 5.529 0.729 7 2 "[- . + 1 ]" 1
366 1 22 DA H5'' 1 22 DA H8 4.500 2.500 4.800 3.412 2.222 4.898 0.278 8 0 "[ . 1 ]" 1
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