NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628228 |
6by4   |
30386 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6by4
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 315
_Distance_constraint_stats_list.Viol_count 3792
_Distance_constraint_stats_list.Viol_total 31374.236
_Distance_constraint_stats_list.Viol_max 1.809
_Distance_constraint_stats_list.Viol_rms 0.3330
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2490
_Distance_constraint_stats_list.Viol_average_violations_only 0.4137
_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 G 110.498 1.126 19 20 [************-*****+*]
1 2 G 202.892 1.265 10 20 [*********+*-********]
1 3 C 104.438 1.219 17 20 [*************-**+***]
1 4 A 177.251 1.308 20 20 [****-**************+]
1 5 C 290.861 1.809 18 20 [*****************+*-]
1 6 U 200.768 1.233 18 20 [****************-+**]
1 7 U 135.877 1.233 18 20 [**************-**+**]
1 8 C 125.120 0.984 15 20 [********-*****+*****]
1 9 G 192.933 1.189 19 20 [**************-***+*]
1 10 G 168.798 1.106 14 20 [*************+**-***]
1 11 U 182.314 1.153 17 20 [****-***********+***]
1 12 G 205.013 1.219 17 20 [**************-*+***]
1 13 C 204.163 1.265 10 20 [*********+*********-]
1 14 C 69.794 0.964 11 20 [*********-+*********]
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 G H1' 1 1 G H2' . . 2.900 2.786 2.778 2.824 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H1' 1 1 G H3' . . 3.537 3.825 3.798 3.832 0.295 17 0 "[ . 1 . 2]" 1
3 1 1 G H1' 1 1 G H4' . . 3.033 3.524 3.050 3.604 0.571 11 17 "[******* **+ **-*** *]" 1
4 1 1 G H1' 1 1 G Q5' . . 3.735 4.256 4.221 4.414 0.679 12 9 "[* . ** 1 +-*.* **]" 1
5 1 1 G H1' 1 1 G H8 . . 3.348 3.758 3.699 3.839 0.491 20 0 "[ . 1 . 2]" 1
6 1 1 G H1' 1 2 G H8 . . 5.120 5.145 5.065 5.218 0.098 19 0 "[ . 1 . 2]" 1
7 1 1 G H2' 1 1 G H3' . . 2.214 2.357 2.352 2.365 0.151 8 0 "[ . 1 . 2]" 1
8 1 1 G H2' 1 1 G H4' . . 3.105 3.868 3.677 3.901 0.796 17 20 [*******-********+***] 1
9 1 1 G H2' 1 1 G Q5' . . 3.960 4.551 4.266 4.599 0.639 19 18 "[******* *** ****-*+*]" 1
10 1 1 G H2' 1 1 G H8 . . 3.231 3.689 3.242 3.958 0.727 1 11 "[+* *.- *** * .*** 2]" 1
11 1 1 G H2' 1 2 G H1' . . 4.130 4.127 3.932 4.145 0.015 17 0 "[ . 1 . 2]" 1
12 1 1 G H2' 1 2 G H4' . . 3.591 4.142 3.968 4.717 1.126 19 18 "[**-**** *** ******+*]" 1
13 1 1 G H2' 1 2 G Q5' . . 4.050 2.893 2.687 4.362 0.312 19 0 "[ . 1 . 2]" 1
14 1 1 G H2' 1 2 G H8 . . 2.560 2.534 2.462 2.618 0.058 17 0 "[ . 1 . 2]" 1
15 1 1 G H3' 1 1 G Q5' . . 2.646 2.911 2.468 2.983 0.337 3 0 "[ . 1 . 2]" 1
16 1 1 G H3' 1 1 G H8 . . 3.476 2.637 2.140 2.966 . 0 0 "[ . 1 . 2]" 1
17 1 1 G H3' 1 2 G H8 . . 2.862 3.203 3.090 3.543 0.681 8 3 "[ . + 1 * . -2]" 1
18 1 1 G H4' 1 1 G Q5' . . 2.385 2.180 2.141 2.496 0.111 8 0 "[ . 1 . 2]" 1
19 1 1 G H4' 1 1 G H8 . . 4.928 4.247 4.189 4.375 . 0 0 "[ . 1 . 2]" 1
20 1 1 G H4' 1 2 G H8 . . 5.409 5.805 5.567 5.965 0.556 12 3 "[ . * 1 + . - 2]" 1
21 1 1 G H5' 1 1 G H5'' . . 1.539 1.763 1.763 1.764 0.225 3 0 "[ . 1 . 2]" 1
22 1 1 G Q5' 1 1 G H8 . . 3.312 3.085 2.909 3.355 0.043 20 0 "[ . 1 . 2]" 1
23 1 1 G Q5' 1 2 G H8 . . 6.273 5.712 5.553 5.916 . 0 0 "[ . 1 . 2]" 1
24 1 2 G H1 1 3 C Q4 . . 3.260 3.250 3.190 3.301 0.041 6 0 "[ . 1 . 2]" 1
25 1 2 G H1 1 12 G H1 . . 3.740 4.033 3.974 4.118 0.378 10 0 "[ . 1 . 2]" 1
26 1 2 G H1 1 13 C H1' . . 4.338 5.370 5.237 5.446 1.108 17 20 [**********-*****+***] 1
27 1 2 G H1 1 13 C Q4 . . 2.600 2.641 2.613 2.671 0.071 4 0 "[ . 1 . 2]" 1
28 1 2 G H1 1 13 C H5 . . 4.780 4.851 4.827 4.871 0.091 10 0 "[ . 1 . 2]" 1
29 1 2 G H1 1 13 C H6 . . 4.338 5.577 5.547 5.603 1.265 10 20 [*********+*******-**] 1
30 1 2 G H1 1 14 C H1' . . 4.820 4.855 4.817 4.908 0.088 4 0 "[ . 1 . 2]" 1
31 1 2 G H1 1 14 C Q4 . . 3.790 3.564 3.526 3.577 . 0 0 "[ . 1 . 2]" 1
32 1 2 G H1 1 14 C H5 . . 3.861 4.735 4.619 4.825 0.964 11 20 [**********+********-] 1
33 1 2 G H1' 1 2 G H2' . . 2.448 2.822 2.811 2.864 0.416 19 0 "[ . 1 . 2]" 1
34 1 2 G H1' 1 2 G H3' . . 3.744 3.817 3.785 3.831 0.087 5 0 "[ . 1 . 2]" 1
35 1 2 G H1' 1 2 G H4' . . 2.754 3.301 2.739 3.374 0.620 14 19 "[***********-*+**** *]" 1
36 1 2 G H1' 1 2 G Q5' . . 4.626 4.385 4.320 4.517 . 0 0 "[ . 1 . 2]" 1
37 1 2 G H1' 1 2 G H8 . . 3.930 3.733 3.695 3.762 . 0 0 "[ . 1 . 2]" 1
38 1 2 G H1' 1 3 C H6 . . 4.509 5.503 5.462 5.599 1.090 20 20 [**********-********+] 1
39 1 2 G H2' 1 2 G H8 . . 3.060 3.772 3.649 3.917 0.857 17 20 [****************+**-] 1
40 1 2 G H2' 1 3 C H5 . . 3.303 3.991 3.695 4.087 0.784 2 18 "[*+************-* * *]" 1
41 1 2 G H2' 1 3 C H6 . . 2.761 2.786 2.731 2.900 0.139 17 0 "[ . 1 . 2]" 1
42 1 2 G H3' 1 2 G Q5' . . 3.586 2.767 2.539 2.825 . 0 0 "[ . 1 . 2]" 1
43 1 2 G H3' 1 2 G H8 . . 2.880 2.860 2.768 2.994 0.114 19 0 "[ . 1 . 2]" 1
44 1 2 G H3' 1 3 C H5 . . 3.402 4.022 3.352 4.240 0.838 19 19 "[*************-** *+*]" 1
45 1 2 G H4' 1 2 G Q5' . . 2.365 2.178 2.148 2.438 0.073 19 0 "[ . 1 . 2]" 1
46 1 2 G H4' 1 2 G H8 . . 3.510 4.379 4.333 4.435 0.925 20 20 [******************-+] 1
47 1 2 G Q5' 1 2 G H8 . . 3.483 3.676 3.614 3.950 0.467 17 0 "[ . 1 . 2]" 1
48 1 2 G H8 1 3 C H5 . . 4.030 4.128 4.090 4.211 0.181 15 0 "[ . 1 . 2]" 1
49 1 3 C H1' 1 3 C H2' . . 3.245 2.957 2.858 3.015 . 0 0 "[ . 1 . 2]" 1
50 1 3 C H1' 1 3 C H4' . . 3.894 2.631 2.387 2.942 . 0 0 "[ . 1 . 2]" 1
51 1 3 C H1' 1 3 C H6 . . 4.070 3.686 3.680 3.709 . 0 0 "[ . 1 . 2]" 1
52 1 3 C H1' 1 4 A H8 . . 5.863 4.879 4.525 5.055 . 0 0 "[ . 1 . 2]" 1
53 1 3 C H1' 1 12 G H1 . . 4.149 5.320 5.218 5.368 1.219 17 20 [****************+**-] 1
54 1 3 C H2' 1 3 C H6 . . 2.871 2.959 2.588 3.065 0.194 17 0 "[ . 1 . 2]" 1
55 1 3 C H2' 1 4 A H8 . . 2.816 2.164 2.070 2.370 . 0 0 "[ . 1 . 2]" 1
56 1 3 C H3' 1 3 C H6 . . 3.025 2.925 2.249 3.319 0.294 20 0 "[ . 1 . 2]" 1
57 1 3 C H4' 1 4 A H8 . . 6.402 5.793 5.076 5.989 . 0 0 "[ . 1 . 2]" 1
58 1 3 C H41 1 3 C H42 . . 1.690 1.749 1.749 1.750 0.060 7 0 "[ . 1 . 2]" 1
59 1 3 C Q4 1 3 C H5 . . 2.510 2.334 2.333 2.334 . 0 0 "[ . 1 . 2]" 1
60 1 3 C Q4 1 3 C H6 . . 4.041 4.358 4.357 4.358 0.317 16 0 "[ . 1 . 2]" 1
61 1 3 C Q4 1 11 U H3 . . 4.635 4.427 4.358 4.771 0.136 20 0 "[ . 1 . 2]" 1
62 1 3 C Q4 1 12 G H1 . . 2.590 2.690 2.624 2.727 0.137 20 0 "[ . 1 . 2]" 1
63 1 3 C H5 1 3 C H6 . . 2.196 2.469 2.469 2.470 0.274 3 0 "[ . 1 . 2]" 1
64 1 3 C H5 1 12 G H1 . . 4.194 4.924 4.893 4.993 0.799 2 20 [*+*-****************] 1
65 1 3 C H6 1 4 A H8 . . 4.730 4.221 3.775 4.875 0.145 20 0 "[ . 1 . 2]" 1
66 1 4 A H1' 1 4 A H2 . . 3.924 4.788 4.653 4.804 0.880 15 20 [**************+****-] 1
67 1 4 A H1' 1 4 A H2' . . 3.377 2.726 2.717 2.737 . 0 0 "[ . 1 . 2]" 1
68 1 4 A H1' 1 4 A H3' . . 4.312 3.864 3.828 3.874 . 0 0 "[ . 1 . 2]" 1
69 1 4 A H1' 1 4 A H4' . . 4.092 3.591 3.520 3.617 . 0 0 "[ . 1 . 2]" 1
70 1 4 A H1' 1 4 A H8 . . 4.543 3.702 3.692 3.784 . 0 0 "[ . 1 . 2]" 1
71 1 4 A H1' 1 5 C H6 . . 4.788 5.055 4.713 5.150 0.362 4 0 "[ . 1 . 2]" 1
72 1 4 A H2 1 4 A H2' . . 4.266 4.865 4.817 5.316 1.050 20 20 [****-**************+] 1
73 1 4 A H2 1 5 C H1' . . 3.520 3.756 3.734 3.842 0.322 20 0 "[ . 1 . 2]" 1
74 1 4 A H2 1 5 C H3' . . 5.562 6.719 6.646 6.870 1.308 20 20 [***************-***+] 1
75 1 4 A H2 1 10 G H1 . . 4.730 4.767 4.703 4.804 0.074 17 0 "[ . 1 . 2]" 1
76 1 4 A H2 1 11 U H1' . . 5.030 5.167 5.137 5.247 0.217 17 0 "[ . 1 . 2]" 1
77 1 4 A H2 1 11 U H3 . . 2.780 2.774 2.744 2.885 0.105 20 0 "[ . 1 . 2]" 1
78 1 4 A H2 1 12 G H1 . . 4.340 4.406 4.330 4.491 0.151 17 0 "[ . 1 . 2]" 1
79 1 4 A H2 1 12 G H1' . . 3.411 4.222 4.199 4.249 0.838 7 20 [**-***+*************] 1
80 1 4 A H2' 1 4 A H8 . . 3.619 4.036 3.749 4.065 0.446 14 0 "[ . 1 . 2]" 1
81 1 4 A H2' 1 5 C H1' . . 3.294 4.040 3.786 4.160 0.866 16 19 [********-******+***2] 1
82 1 4 A H2' 1 5 C H5 . . 3.627 3.902 3.615 4.043 0.416 20 0 "[ . 1 . 2]" 1
83 1 4 A H2' 1 5 C H6 . . 2.241 2.470 2.272 2.549 0.308 9 0 "[ . 1 . 2]" 1
84 1 4 A H3' 1 4 A H8 . . 3.454 2.946 2.444 3.002 . 0 0 "[ . 1 . 2]" 1
85 1 4 A H3' 1 5 C H6 . . 2.547 3.396 3.339 3.515 0.968 20 20 [****************-**+] 1
86 1 4 A H4' 1 4 A H8 . . 4.059 3.854 3.793 3.960 . 0 0 "[ . 1 . 2]" 1
87 1 4 A H5' 1 4 A H5'' . . 2.376 1.764 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
88 1 4 A H5' 1 4 A H8 . . 3.729 3.589 3.376 3.786 0.057 17 0 "[ . 1 . 2]" 1
89 1 4 A H5'' 1 4 A H8 . . 4.015 2.014 1.938 2.736 . 0 0 "[ . 1 . 2]" 1
90 1 4 A H61 1 11 U H3 . . 3.276 3.134 3.062 3.159 . 0 0 "[ . 1 . 2]" 1
91 1 4 A H62 1 11 U H3 . . 4.257 4.643 4.552 4.682 0.425 12 0 "[ . 1 . 2]" 1
92 1 4 A H8 1 5 C H5 . . 3.879 4.704 4.476 4.779 0.900 2 20 [*+*****************-] 1
93 1 4 A H8 1 5 C H6 . . 4.446 5.383 4.786 5.442 0.996 4 19 [*-*+***************2] 1
94 1 5 C H1' 1 5 C H2' . . 2.610 2.732 2.723 2.741 0.131 7 0 "[ . 1 . 2]" 1
95 1 5 C H1' 1 5 C H3' . . 3.285 3.867 3.851 3.874 0.589 17 20 [****************+-**] 1
96 1 5 C H1' 1 5 C H4' . . 2.619 3.164 3.043 3.209 0.590 17 16 "[****** *** **** + *-]" 1
97 1 5 C H1' 1 5 C Q5' . . 4.041 4.639 4.633 4.655 0.614 20 20 [****************-**+] 1
98 1 5 C H1' 1 5 C H6 . . 3.790 3.615 3.603 3.622 . 0 0 "[ . 1 . 2]" 1
99 1 5 C H1' 1 6 U H6 . . 4.790 4.953 4.910 5.030 0.240 17 0 "[ . 1 . 2]" 1
100 1 5 C H1' 1 10 G H1 . . 5.110 5.313 5.293 5.324 0.214 15 0 "[ . 1 . 2]" 1
101 1 5 C H2' 1 5 C H3' . . 2.684 2.338 2.334 2.347 . 0 0 "[ . 1 . 2]" 1
102 1 5 C H2' 1 5 C H5 . . 3.978 5.322 5.305 5.369 1.391 20 20 [**********-********+] 1
103 1 5 C H2' 1 5 C H6 . . 3.636 3.783 3.763 3.844 0.208 20 0 "[ . 1 . 2]" 1
104 1 5 C H2' 1 6 U H6 . . 2.268 2.380 2.316 2.505 0.237 20 0 "[ . 1 . 2]" 1
105 1 5 C H3' 1 5 C H4' . . 2.706 3.041 3.039 3.044 0.338 18 0 "[ . 1 . 2]" 1
106 1 5 C H3' 1 5 C H5 . . 3.789 4.405 4.386 4.431 0.642 16 20 [***********-***+****] 1
107 1 5 C H3' 1 5 C H6 . . 2.520 2.605 2.568 2.663 0.143 20 0 "[ . 1 . 2]" 1
108 1 5 C H3' 1 6 U H5 . . 4.114 2.975 2.935 3.050 . 0 0 "[ . 1 . 2]" 1
109 1 5 C H3' 1 6 U H6 . . 2.646 2.510 2.469 2.537 . 0 0 "[ . 1 . 2]" 1
110 1 5 C H4' 1 5 C H5 . . 4.203 5.966 5.929 6.012 1.809 18 20 [*****************+*-] 1
111 1 5 C H4' 1 5 C H6 . . 3.186 3.502 3.466 3.553 0.367 18 0 "[ . 1 . 2]" 1
112 1 5 C H41 1 5 C H42 . . 1.800 1.750 1.749 1.750 . 0 0 "[ . 1 . 2]" 1
113 1 5 C H41 1 5 C H5 . . 3.950 3.639 3.638 3.639 . 0 0 "[ . 1 . 2]" 1
114 1 5 C H41 1 5 C H6 . . 5.067 5.365 5.364 5.365 0.298 20 0 "[ . 1 . 2]" 1
115 1 5 C H41 1 10 G H1 . . 2.640 2.831 2.807 2.864 0.224 11 0 "[ . 1 . 2]" 1
116 1 5 C H41 1 11 U H3 . . 4.480 4.219 4.184 4.263 . 0 0 "[ . 1 . 2]" 1
117 1 5 C H42 1 5 C H5 . . 2.620 2.362 2.361 2.363 . 0 0 "[ . 1 . 2]" 1
118 1 5 C H42 1 10 G H1 . . 4.190 4.117 4.102 4.132 . 0 0 "[ . 1 . 2]" 1
119 1 5 C H42 1 11 U H3 . . 5.110 5.554 5.514 5.603 0.493 17 0 "[ . 1 . 2]" 1
120 1 5 C H5 1 5 C Q5' . . 4.302 4.991 4.971 5.014 0.712 20 20 [******-************+] 1
121 1 5 C H5 1 5 C H6 . . 2.590 2.469 2.469 2.470 . 0 0 "[ . 1 . 2]" 1
122 1 5 C H5 1 6 U H5 . . 3.411 3.534 3.428 3.616 0.205 7 0 "[ . 1 . 2]" 1
123 1 5 C H5 1 10 G H1 . . 4.840 4.967 4.949 4.989 0.149 2 0 "[ . 1 . 2]" 1
124 1 5 C H5' 1 5 C H5'' . . 2.090 1.764 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
125 1 5 C Q5' 1 5 C H6 . . 3.213 3.108 3.064 3.155 . 0 0 "[ . 1 . 2]" 1
126 1 5 C H6 1 6 U H5 . . 3.771 3.664 3.625 3.695 . 0 0 "[ . 1 . 2]" 1
127 1 5 C H6 1 6 U H6 . . 4.270 4.419 4.368 4.442 0.172 15 0 "[ . 1 . 2]" 1
128 1 5 C H6 1 10 G H1 . . 5.540 5.606 5.585 5.627 0.087 2 0 "[ . 1 . 2]" 1
129 1 6 U H1' 1 6 U H2' . . 2.637 2.790 2.786 2.797 0.160 18 0 "[ . 1 . 2]" 1
130 1 6 U H1' 1 6 U H4' . . 3.531 3.434 3.383 3.462 . 0 0 "[ . 1 . 2]" 1
131 1 6 U H1' 1 6 U H5'' . . 5.247 5.255 5.248 5.260 0.013 19 0 "[ . 1 . 2]" 1
132 1 6 U H1' 1 6 U HO2' . . 2.016 2.567 2.552 2.601 0.585 15 20 [***********-**+*****] 1
133 1 6 U H1' 1 7 U H6 . . 4.671 5.726 5.721 5.739 1.068 13 20 [***********-+*******] 1
134 1 6 U H1' 1 9 G H1 . . 3.087 3.338 3.301 3.376 0.289 20 0 "[ . 1 . 2]" 1
135 1 6 U H1' 1 10 G H1 . . 3.366 3.955 3.831 4.048 0.682 18 18 "[* **************-+*2]" 1
136 1 6 U H1' 1 10 G H22 . . 2.259 2.623 2.416 2.946 0.687 2 5 "[ + . 1 *-* *]" 1
137 1 6 U H2' 1 6 U H3' . . 2.259 2.364 2.362 2.366 0.107 16 0 "[ . 1 . 2]" 1
138 1 6 U H2' 1 6 U H6 . . 3.830 3.765 3.744 3.778 . 0 0 "[ . 1 . 2]" 1
139 1 6 U H2' 1 6 U HO2' . . 2.390 2.355 2.339 2.362 . 0 0 "[ . 1 . 2]" 1
140 1 6 U H2' 1 7 U H2' . . 3.420 4.234 4.187 4.261 0.841 5 20 [****+*******-*******] 1
141 1 6 U H2' 1 7 U H5 . . 4.563 5.764 5.743 5.796 1.233 18 20 [*****************+-*] 1
142 1 6 U H2' 1 7 U H6 . . 4.560 4.455 4.445 4.463 . 0 0 "[ . 1 . 2]" 1
143 1 6 U H2' 1 8 C Q4 . . 3.730 2.728 2.701 2.771 . 0 0 "[ . 1 . 2]" 1
144 1 6 U H2' 1 8 C H5 . . 2.448 2.533 2.436 2.660 0.212 18 0 "[ . 1 . 2]" 1
145 1 6 U H2' 1 8 C H6 . . 3.420 4.069 3.985 4.153 0.733 16 20 [****-**********+****] 1
146 1 6 U H2' 1 9 G H1 . . 3.550 3.581 3.555 3.607 0.057 15 0 "[ . 1 . 2]" 1
147 1 6 U H3' 1 6 U H5 . . 4.477 4.566 4.546 4.582 0.105 17 0 "[ . 1 . 2]" 1
148 1 6 U H3' 1 6 U H6 . . 2.349 2.685 2.663 2.705 0.356 17 0 "[ . 1 . 2]" 1
149 1 6 U H3' 1 8 C Q4 . . 3.249 2.762 2.690 2.887 . 0 0 "[ . 1 . 2]" 1
150 1 6 U H3' 1 8 C H5 . . 4.785 3.783 3.678 3.936 . 0 0 "[ . 1 . 2]" 1
151 1 6 U H4' 1 7 U H5 . . 3.773 3.665 3.585 3.796 0.023 15 0 "[ . 1 . 2]" 1
152 1 6 U H5 1 6 U H6 . . 2.223 2.452 2.451 2.453 0.230 11 0 "[ . 1 . 2]" 1
153 1 6 U H5'' 1 7 U H5 . . 5.291 4.920 4.807 5.108 . 0 0 "[ . 1 . 2]" 1
154 1 6 U H6 1 8 C Q4 . . 3.078 3.376 3.351 3.413 0.335 18 0 "[ . 1 . 2]" 1
155 1 6 U H6 1 9 G H1 . . 4.977 6.149 6.131 6.166 1.189 19 20 [**-***************+*] 1
156 1 6 U H6 1 10 G H1 . . 5.010 4.832 4.785 4.858 . 0 0 "[ . 1 . 2]" 1
157 1 6 U HO2' 1 7 U H2' . . 2.997 2.904 2.896 2.922 . 0 0 "[ . 1 . 2]" 1
158 1 6 U HO2' 1 7 U Q5' . . 3.375 4.111 4.092 4.156 0.781 15 20 [********-*****+*****] 1
159 1 6 U HO2' 1 7 U H6 . . 3.490 3.522 3.479 3.545 0.055 5 0 "[ . 1 . 2]" 1
160 1 6 U HO2' 1 8 C H5 . . 3.537 4.272 4.199 4.346 0.809 16 20 [****-**********+****] 1
161 1 6 U HO2' 1 9 G H1 . . 3.130 3.086 3.047 3.111 . 0 0 "[ . 1 . 2]" 1
162 1 7 U H1' 1 7 U H2' . . 3.718 3.057 3.054 3.058 . 0 0 "[ . 1 . 2]" 1
163 1 7 U H1' 1 7 U H4' . . 3.784 3.294 3.265 3.309 . 0 0 "[ . 1 . 2]" 1
164 1 7 U H1' 1 7 U H6 . . 3.375 3.656 3.650 3.668 0.293 18 0 "[ . 1 . 2]" 1
165 1 7 U H2' 1 7 U H5 . . 5.390 4.710 4.656 4.732 . 0 0 "[ . 1 . 2]" 1
166 1 7 U H2' 1 7 U Q5' . . 3.443 3.267 3.244 3.285 . 0 0 "[ . 1 . 2]" 1
167 1 7 U H2' 1 7 U H6 . . 2.295 2.792 2.709 2.828 0.533 17 14 "[**-*.******* . + **]" 1
168 1 7 U H2' 1 8 C Q5' . . 4.617 3.537 3.491 3.573 . 0 0 "[ . 1 . 2]" 1
169 1 7 U H2' 1 8 C H6 . . 4.532 4.132 4.040 4.199 . 0 0 "[ . 1 . 2]" 1
170 1 7 U H2' 1 9 G H1 . . 3.969 4.486 4.391 4.591 0.622 5 14 "[****+******* - *2]" 1
171 1 7 U H3' 1 7 U H4' . . 2.486 2.731 2.724 2.745 0.259 14 0 "[ . 1 . 2]" 1
172 1 7 U H3' 1 7 U H6 . . 3.879 4.411 4.329 4.444 0.565 19 15 "[****-******* . * +*]" 1
173 1 7 U H4' 1 7 U Q5' . . 2.101 2.143 2.139 2.145 0.044 5 0 "[ . 1 . 2]" 1
174 1 7 U H4' 1 7 U H6 . . 4.212 4.302 4.288 4.318 0.106 5 0 "[ . 1 . 2]" 1
175 1 7 U H4' 1 8 C H6 . . 4.224 4.168 4.109 4.244 0.020 16 0 "[ . 1 . 2]" 1
176 1 7 U H5 1 7 U H6 . . 2.358 2.452 2.451 2.453 0.095 18 0 "[ . 1 . 2]" 1
177 1 7 U H5' 1 7 U H5'' . . 2.123 1.764 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
178 1 7 U Q5' 1 7 U H6 . . 3.753 3.597 3.593 3.600 . 0 0 "[ . 1 . 2]" 1
179 1 7 U Q5' 1 8 C Q4 . . 5.238 3.808 3.740 3.840 . 0 0 "[ . 1 . 2]" 1
180 1 7 U Q5' 1 8 C H5 . . 2.904 1.911 1.876 1.928 . 0 0 "[ . 1 . 2]" 1
181 1 7 U Q5' 1 8 C H6 . . 2.860 2.334 2.200 2.581 . 0 0 "[ . 1 . 2]" 1
182 1 7 U Q5' 1 9 G H1 . . 4.464 5.110 5.037 5.282 0.818 15 20 [**************+****-] 1
183 1 8 C H1' 1 8 C H2' . . 3.608 3.052 3.048 3.059 . 0 0 "[ . 1 . 2]" 1
184 1 8 C H1' 1 8 C H3' . . 4.565 3.833 3.806 3.846 . 0 0 "[ . 1 . 2]" 1
185 1 8 C H1' 1 8 C H4' . . 2.997 3.350 3.319 3.414 0.417 18 0 "[ . 1 . 2]" 1
186 1 8 C H1' 1 8 C Q5' . . 4.095 4.252 4.154 4.311 0.216 17 0 "[ . 1 . 2]" 1
187 1 8 C H1' 1 8 C H6 . . 4.125 3.712 3.711 3.713 . 0 0 "[ . 1 . 2]" 1
188 1 8 C H1' 1 9 G H1 . . 3.735 4.596 4.449 4.644 0.909 20 20 [*****************-*+] 1
189 1 8 C H2' 1 8 C H4' . . 3.339 3.845 3.834 3.854 0.515 15 19 "[********-*****+* ***]" 1
190 1 8 C H2' 1 8 C H5 . . 4.741 4.532 4.509 4.550 . 0 0 "[ . 1 . 2]" 1
191 1 8 C H2' 1 8 C Q5' . . 3.591 3.560 3.458 3.607 0.016 19 0 "[ . 1 . 2]" 1
192 1 8 C H2' 1 8 C H6 . . 2.717 2.477 2.449 2.501 . 0 0 "[ . 1 . 2]" 1
193 1 8 C H3' 1 8 C H4' . . 2.529 2.714 2.659 2.738 0.209 19 0 "[ . 1 . 2]" 1
194 1 8 C H3' 1 8 C Q5' . . 2.682 2.642 2.628 2.652 . 0 0 "[ . 1 . 2]" 1
195 1 8 C H4' 1 8 C Q5' . . 2.390 2.157 2.156 2.158 . 0 0 "[ . 1 . 2]" 1
196 1 8 C H4' 1 8 C H6 . . 3.537 4.400 4.346 4.521 0.984 15 20 [**************+*-***] 1
197 1 8 C H4' 1 9 G H3' . . 3.393 3.698 3.551 3.776 0.383 17 0 "[ . 1 . 2]" 1
198 1 8 C H4' 1 9 G Q5' . . 2.853 2.854 2.660 3.389 0.536 13 5 "[ . 1 +*-* * 2]" 1
199 1 8 C H4' 1 9 G H8 . . 5.480 5.426 5.397 5.454 . 0 0 "[ . 1 . 2]" 1
200 1 8 C H41 1 8 C H42 . . 1.670 1.750 1.749 1.750 0.080 19 0 "[ . 1 . 2]" 1
201 1 8 C Q4 1 8 C H5 . . 2.052 2.333 2.333 2.334 0.282 13 0 "[ . 1 . 2]" 1
202 1 8 C Q4 1 8 C H6 . . 3.960 4.357 4.357 4.358 0.398 3 0 "[ . 1 . 2]" 1
203 1 8 C H5 1 8 C Q5' . . 5.364 5.209 5.181 5.225 . 0 0 "[ . 1 . 2]" 1
204 1 8 C H5 1 8 C H6 . . 2.893 2.469 2.469 2.470 . 0 0 "[ . 1 . 2]" 1
205 1 8 C H5 1 9 G H1 . . 4.734 4.753 4.719 4.852 0.118 15 0 "[ . 1 . 2]" 1
206 1 8 C H5' 1 8 C H5'' . . 1.890 1.764 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
207 1 8 C Q5' 1 8 C H6 . . 3.339 3.202 3.165 3.219 . 0 0 "[ . 1 . 2]" 1
208 1 8 C Q5' 1 9 G H1 . . 5.067 4.487 4.435 4.525 . 0 0 "[ . 1 . 2]" 1
209 1 8 C Q5' 1 9 G Q5' . . 4.644 4.299 4.219 4.508 . 0 0 "[ . 1 . 2]" 1
210 1 8 C Q5' 1 9 G H8 . . 4.860 4.375 4.345 4.393 . 0 0 "[ . 1 . 2]" 1
211 1 8 C H6 1 9 G H1 . . 3.942 4.276 4.239 4.366 0.424 15 0 "[ . 1 . 2]" 1
212 1 9 G H1 1 10 G H1 . . 4.464 5.027 4.836 5.110 0.646 17 18 "[* ***********-.*+***]" 1
213 1 9 G H1 1 10 G H1' . . 3.951 3.861 3.796 3.914 . 0 0 "[ . 1 . 2]" 1
214 1 9 G H1 1 10 G H8 . . 4.572 5.563 5.314 5.678 1.106 14 20 [*************+**-***] 1
215 1 9 G H1' 1 9 G H2' . . 2.403 2.896 2.886 2.917 0.514 14 5 "[ . 1 *+** - 2]" 1
216 1 9 G H1' 1 9 G H3' . . 3.762 3.813 3.800 3.821 0.059 3 0 "[ . 1 . 2]" 1
217 1 9 G H1' 1 9 G H4' . . 3.641 3.031 2.880 3.105 . 0 0 "[ . 1 . 2]" 1
218 1 9 G H1' 1 9 G Q5' . . 4.829 4.305 4.239 4.327 . 0 0 "[ . 1 . 2]" 1
219 1 9 G H1' 1 9 G H8 . . 2.187 2.503 2.500 2.512 0.325 15 0 "[ . 1 . 2]" 1
220 1 9 G H2' 1 9 G H3' . . 2.106 2.334 2.331 2.336 0.230 20 0 "[ . 1 . 2]" 1
221 1 9 G H2' 1 9 G H8 . . 4.760 4.123 4.046 4.269 . 0 0 "[ . 1 . 2]" 1
222 1 9 G H2' 1 10 G H4' . . 2.673 2.697 2.600 2.775 0.102 15 0 "[ . 1 . 2]" 1
223 1 9 G H2' 1 10 G H8 . . 3.573 4.081 3.736 4.534 0.961 2 8 "[ + . 1 **** *-*]" 1
224 1 9 G H3' 1 9 G H4' . . 2.849 3.017 3.012 3.028 0.179 16 0 "[ . 1 . 2]" 1
225 1 9 G H3' 1 9 G Q5' . . 3.333 2.285 2.176 2.607 . 0 0 "[ . 1 . 2]" 1
226 1 9 G H3' 1 9 G H8 . . 4.572 5.432 5.403 5.484 0.912 13 20 [************+***-***] 1
227 1 9 G H3' 1 10 G H3' . . 5.621 5.724 5.386 5.863 0.242 3 0 "[ . 1 . 2]" 1
228 1 9 G H3' 1 10 G H8 . . 3.276 3.909 3.684 4.036 0.760 18 19 "[*-************** +**]" 1
229 1 9 G H4' 1 9 G H8 . . 5.022 5.433 5.270 5.513 0.491 17 0 "[ . 1 . 2]" 1
230 1 9 G H5' 1 9 G H5'' . . 2.057 1.763 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
231 1 10 G H1 1 10 G H21 . . 2.490 2.062 2.061 2.063 . 0 0 "[ . 1 . 2]" 1
232 1 10 G H1 1 10 G H22 . . 3.160 3.379 3.378 3.380 0.220 19 0 "[ . 1 . 2]" 1
233 1 10 G H1 1 11 U H1' . . 4.140 4.558 4.224 4.722 0.582 7 10 "[* **+-**** . *2]" 1
234 1 10 G H1' 1 10 G H8 . . 3.321 3.729 3.708 3.748 0.427 7 0 "[ . 1 . 2]" 1
235 1 10 G H2' 1 11 U H5 . . 3.366 4.057 4.020 4.118 0.752 20 20 [******************-+] 1
236 1 10 G H2' 1 11 U H6 . . 2.151 2.081 2.044 2.139 . 0 0 "[ . 1 . 2]" 1
237 1 10 G H21 1 10 G H22 . . 1.650 1.749 1.749 1.750 0.100 1 0 "[ . 1 . 2]" 1
238 1 10 G H22 1 11 U H1' . . 4.884 2.652 2.286 2.847 . 0 0 "[ . 1 . 2]" 1
239 1 10 G H3' 1 10 G H5'' . . 2.343 2.186 2.150 2.416 0.073 3 0 "[ . 1 . 2]" 1
240 1 10 G H3' 1 10 G H8 . . 2.529 2.738 2.650 2.838 0.309 2 0 "[ . 1 . 2]" 1
241 1 10 G H3' 1 11 U H5 . . 2.952 3.826 3.767 3.862 0.910 11 20 [*-********+*********] 1
242 1 10 G H3' 1 11 U H6 . . 3.123 3.178 3.102 3.226 0.103 7 0 "[ . 1 . 2]" 1
243 1 10 G H4' 1 10 G H8 . . 3.186 3.988 3.965 4.077 0.891 5 20 [****+-**************] 1
244 1 10 G H5'' 1 10 G H8 . . 2.655 2.599 2.565 2.622 . 0 0 "[ . 1 . 2]" 1
245 1 10 G H8 1 11 U H5 . . 5.060 4.878 4.823 4.964 . 0 0 "[ . 1 . 2]" 1
246 1 10 G H8 1 11 U H6 . . 4.650 4.884 4.868 4.919 0.269 5 0 "[ . 1 . 2]" 1
247 1 11 U H1' 1 11 U H2' . . 2.655 2.752 2.737 2.763 0.108 12 0 "[ . 1 . 2]" 1
248 1 11 U H1' 1 11 U H3 . . 4.600 4.616 4.601 4.643 0.043 2 0 "[ . 1 . 2]" 1
249 1 11 U H1' 1 11 U H3' . . 3.735 3.811 3.806 3.815 0.080 20 0 "[ . 1 . 2]" 1
250 1 11 U H1' 1 11 U H4' . . 2.925 3.426 3.408 3.448 0.523 2 9 "[ +* - 1 **** **2]" 1
251 1 11 U H1' 1 11 U Q5' . . 4.392 4.588 4.568 4.617 0.225 2 0 "[ . 1 . 2]" 1
252 1 11 U H1' 1 11 U H6 . . 3.740 3.497 3.461 3.516 . 0 0 "[ . 1 . 2]" 1
253 1 11 U H1' 1 12 G H8 . . 4.660 4.775 4.754 4.919 0.259 20 0 "[ . 1 . 2]" 1
254 1 11 U H2' 1 11 U H3 . . 4.113 4.503 4.434 4.541 0.428 12 0 "[ . 1 . 2]" 1
255 1 11 U H2' 1 11 U H6 . . 3.726 3.996 3.937 4.095 0.369 2 0 "[ . 1 . 2]" 1
256 1 11 U H2' 1 12 G H8 . . 2.385 2.299 2.220 2.325 . 0 0 "[ . 1 . 2]" 1
257 1 11 U H3 1 11 U H5 . . 4.060 4.188 4.187 4.189 0.129 17 0 "[ . 1 . 2]" 1
258 1 11 U H3 1 11 U H6 . . 3.789 4.767 4.767 4.768 0.979 7 20 [****-*+*************] 1
259 1 11 U H3 1 12 G H1 . . 4.850 4.752 4.716 4.798 . 0 0 "[ . 1 . 2]" 1
260 1 11 U H3 1 12 G H1' . . 4.473 5.551 5.511 5.626 1.153 17 20 [****************+**-] 1
261 1 11 U H3' 1 11 U H5 . . 3.708 4.608 4.584 4.659 0.951 2 20 [*+*****-************] 1
262 1 11 U H3' 1 11 U H6 . . 2.520 2.913 2.840 3.046 0.526 2 1 "[ + . 1 . 2]" 1
263 1 11 U H3' 1 12 G H8 . . 2.646 3.293 3.140 3.367 0.721 2 19 [*+**************-**2] 1
264 1 11 U H4' 1 11 U Q5' . . 2.442 2.153 2.149 2.159 . 0 0 "[ . 1 . 2]" 1
265 1 11 U H5 1 11 U H6 . . 2.670 2.452 2.452 2.453 . 0 0 "[ . 1 . 2]" 1
266 1 11 U H5' 1 11 U H5'' . . 2.156 1.763 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
267 1 11 U Q5' 1 11 U H6 . . 3.348 3.425 3.388 3.439 0.091 17 0 "[ . 1 . 2]" 1
268 1 12 G H1 1 12 G H22 . . 3.258 3.379 3.378 3.380 0.122 14 0 "[ . 1 . 2]" 1
269 1 12 G H1 1 13 C H1' . . 4.131 5.116 5.068 5.154 1.023 12 20 [***********+*******-] 1
270 1 12 G H1 1 13 C Q4 . . 3.843 4.016 3.903 4.109 0.266 17 0 "[ . 1 . 2]" 1
271 1 12 G H1' 1 12 G H2' . . 3.179 2.829 2.789 2.841 . 0 0 "[ . 1 . 2]" 1
272 1 12 G H1' 1 12 G H3' . . 4.675 3.800 3.789 3.822 . 0 0 "[ . 1 . 2]" 1
273 1 12 G H1' 1 12 G Q5' . . 4.917 4.476 4.461 4.500 . 0 0 "[ . 1 . 2]" 1
274 1 12 G H1' 1 12 G H8 . . 3.402 3.641 3.614 3.653 0.251 20 0 "[ . 1 . 2]" 1
275 1 12 G H1' 1 13 C H6 . . 5.709 5.632 5.570 5.730 0.021 10 0 "[ . 1 . 2]" 1
276 1 12 G H2' 1 13 C H1' . . 3.330 4.071 3.614 4.545 1.215 10 15 "[*** * **+****** *-]" 1
277 1 12 G H2' 1 13 C H5 . . 3.456 3.991 3.862 4.171 0.715 10 10 "[ -.** *+** . ** *]" 1
278 1 12 G H2' 1 13 C H6 . . 2.761 2.895 2.831 3.078 0.317 10 0 "[ . 1 . 2]" 1
279 1 12 G H3' 1 12 G H8 . . 2.412 3.204 3.119 3.311 0.899 11 20 [**********+********-] 1
280 1 12 G H3' 1 13 C H5 . . 3.807 3.669 3.565 3.729 . 0 0 "[ . 1 . 2]" 1
281 1 12 G H3' 1 13 C H6 . . 4.004 3.430 3.235 3.557 . 0 0 "[ . 1 . 2]" 1
282 1 12 G H5' 1 12 G H5'' . . 2.299 1.763 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
283 1 12 G Q5' 1 12 G H8 . . 3.204 3.716 3.530 3.775 0.571 17 15 "[*** .*********-*+ 2]" 1
284 1 12 G Q5' 1 13 C H5 . . 4.338 5.243 5.179 5.272 0.934 13 20 [*********-**+*******] 1
285 1 12 G H8 1 13 C H5 . . 4.120 4.223 4.133 4.294 0.174 20 0 "[ . 1 . 2]" 1
286 1 13 C H1' 1 13 C H2' . . 2.592 2.788 2.770 2.794 0.202 17 0 "[ . 1 . 2]" 1
287 1 13 C H1' 1 13 C H3' . . 3.915 3.825 3.809 3.830 . 0 0 "[ . 1 . 2]" 1
288 1 13 C H1' 1 13 C Q5' . . 4.005 4.339 3.676 4.506 0.501 19 2 "[ . 1 . +-]" 1
289 1 13 C H1' 1 13 C H6 . . 3.213 3.652 3.612 3.708 0.495 9 0 "[ . 1 . 2]" 1
290 1 13 C H2' 1 13 C H5 . . 4.077 5.095 4.878 5.222 1.145 6 20 [*****+*****-********] 1
291 1 13 C H2' 1 14 C H1' . . 3.762 4.499 4.399 4.613 0.851 20 20 [*********-*********+] 1
292 1 13 C H2' 1 14 C H5 . . 4.015 4.013 3.952 4.116 0.101 11 0 "[ . 1 . 2]" 1
293 1 13 C H2' 1 14 C H6 . . 2.717 2.737 2.635 2.764 0.047 18 0 "[ . 1 . 2]" 1
294 1 13 C H3' 1 13 C H5 . . 3.753 4.400 4.118 4.546 0.793 17 16 "[*-****** 1 ****+***]" 1
295 1 13 C H3' 1 13 C H6 . . 2.981 2.345 1.892 2.593 . 0 0 "[ . 1 . 2]" 1
296 1 13 C H41 1 13 C H42 . . 1.710 1.750 1.748 1.750 0.040 19 0 "[ . 1 . 2]" 1
297 1 13 C Q4 1 13 C H5 . . 2.620 2.334 2.333 2.334 . 0 0 "[ . 1 . 2]" 1
298 1 13 C H5 1 13 C Q5' . . 4.401 4.840 3.742 5.128 0.727 20 16 "[******** 1 **-****+]" 1
299 1 13 C H5 1 13 C H6 . . 2.322 2.469 2.468 2.470 0.148 13 0 "[ . 1 . 2]" 1
300 1 13 C H5 1 14 C H5 . . 3.132 3.100 3.065 3.120 . 0 0 "[ . 1 . 2]" 1
301 1 13 C H5' 1 13 C H5'' . . 2.376 1.764 1.763 1.764 . 0 0 "[ . 1 . 2]" 1
302 1 13 C Q5' 1 13 C H6 . . 3.828 2.865 1.801 3.155 . 0 0 "[ . 1 . 2]" 1
303 1 14 C H1' 1 14 C H2' . . 2.574 2.869 2.826 2.907 0.333 20 0 "[ . 1 . 2]" 1
304 1 14 C H1' 1 14 C H3' . . 3.654 3.801 3.797 3.810 0.156 11 0 "[ . 1 . 2]" 1
305 1 14 C H1' 1 14 C H5' . . 4.464 4.653 4.456 4.777 0.313 11 0 "[ . 1 . 2]" 1
306 1 14 C H1' 1 14 C H6 . . 3.519 3.680 3.674 3.692 0.173 6 0 "[ . 1 . 2]" 1
307 1 14 C H2' 1 14 C H3' . . 2.299 2.349 2.337 2.362 0.063 4 0 "[ . 1 . 2]" 1
308 1 14 C H2' 1 14 C H5 . . 4.994 4.871 4.838 4.954 . 0 0 "[ . 1 . 2]" 1
309 1 14 C H2' 1 14 C H6 . . 3.102 3.195 3.154 3.305 0.203 11 0 "[ . 1 . 2]" 1
310 1 14 C H3' 1 14 C H5 . . 5.016 4.701 4.479 4.930 . 0 0 "[ . 1 . 2]" 1
311 1 14 C H3' 1 14 C H6 . . 2.893 2.447 2.227 2.649 . 0 0 "[ . 1 . 2]" 1
312 1 14 C H41 1 14 C H42 . . 1.630 1.750 1.749 1.750 0.120 18 0 "[ . 1 . 2]" 1
313 1 14 C Q4 1 14 C H5 . . 2.025 2.334 2.333 2.334 0.309 17 0 "[ . 1 . 2]" 1
314 1 14 C Q4 1 14 C H6 . . 3.933 4.358 4.357 4.358 0.425 13 0 "[ . 1 . 2]" 1
315 1 14 C H5 1 14 C H6 . . 2.970 2.469 2.469 2.470 . 0 0 "[ . 1 . 2]" 1
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