Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606759 | 2n89 RC | 25840 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n89
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 129
_Distance_constraint_stats_list.Viol_count 1208
_Distance_constraint_stats_list.Viol_total 7904.285
_Distance_constraint_stats_list.Viol_max 1.999
_Distance_constraint_stats_list.Viol_rms 0.4303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6127
_Distance_constraint_stats_list.Viol_average_violations_only 0.6543
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 79.863 1.909 1 10 [+*********]
1 2 DC 54.587 0.970 2 10 [-+********]
1 3 DC 19.747 0.900 2 10 [*+**-*****]
1 4 CFL 20.733 0.750 10 10 [******-**+]
1 5 CFL 15.994 0.774 1 10 [+********-]
1 6 DC 91.720 1.999 3 10 [**+***-***]
2 1 DT 84.339 1.999 3 10 [**+*-*****]
2 2 DC 53.023 1.051 6 10 [***-*+****]
2 3 DC 24.300 0.955 7 10 [*****-+***]
2 4 CFL 18.030 0.750 1 10 [+*****-***]
2 5 CFL 20.565 0.753 6 10 [*-***+****]
2 6 DC 89.293 1.909 1 10 [+*******-*]
3 1 DT 81.459 1.847 1 10 [+*********]
3 2 DC 48.463 1.151 6 10 [*-***+****]
3 3 DC 21.252 0.923 1 10 [+******-**]
3 4 CFL 16.425 0.742 10 10 [*******-*+]
3 5 CFL 23.195 0.773 9 10 [***-****+*]
3 6 DC 93.584 1.919 4 10 [***+*-****]
4 1 DT 83.501 1.919 4 10 [***+*-****]
4 2 DC 47.946 1.023 10 10 [*********+]
4 3 DC 23.338 0.958 2 10 [*+-*******]
4 4 CFL 2.181 0.428 1 0 "[ . 1]"
4 5 CFL 31.644 0.815 1 10 [+-********]
4 6 DC 84.669 1.847 1 10 [+*********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT C7 1 1 DT H1' . . 4.000 5.834 5.801 5.849 1.849 6 10 [**-**+****] 1
2 1 1 DT C7 2 6 DC Q4 . . 3.000 3.257 3.166 3.466 0.466 1 0 "[ . 1]" 1
3 1 1 DT C7 2 6 DC H5 . . 3.000 3.813 3.679 3.952 0.952 10 10 [*****-***+] 1
4 1 1 DT C7 2 6 DC H6 . . 4.000 5.719 5.570 5.909 1.909 1 10 [+****-****] 1
5 1 1 DT H1' 1 1 DT H6 . . 3.000 3.738 3.725 3.760 0.760 1 10 [+*-*******] 1
6 1 1 DT H1' 4 6 DC H1' . . 2.500 2.655 2.574 2.761 0.261 6 0 "[ . 1]" 1
7 1 1 DT H1' 4 6 DC H6 . . 4.000 5.201 5.127 5.229 1.229 6 10 [-****+****] 1
8 1 1 DT Q2' 1 1 DT H6 . . 2.000 2.693 2.563 2.743 0.743 6 10 [-****+****] 1
9 1 1 DT Q2' 1 2 DC H6 . . 4.000 3.716 3.695 3.757 . 0 0 "[ . 1]" 1
10 1 1 DT Q2' 2 6 DC Q4 . . 2.500 2.791 2.623 2.880 0.380 8 0 "[ . 1]" 1
11 1 1 DT H3' 1 1 DT H6 . . 2.000 2.286 2.161 2.371 0.371 6 0 "[ . 1]" 1
12 1 2 DC H1' 1 2 DC H6 . . 3.000 3.762 3.754 3.770 0.770 4 10 [***+***-**] 1
13 1 2 DC H1' 4 5 CFL H1' . . 2.500 3.266 3.217 3.306 0.806 10 10 [*-*******+] 1
14 1 2 DC H1' 4 6 DC H1' . . 2.500 3.310 3.155 3.408 0.908 2 10 [-+********] 1
15 1 2 DC H1' 4 6 DC H6 . . 4.000 4.915 4.826 4.970 0.970 2 10 [-+********] 1
16 1 2 DC Q2' 1 2 DC H6 . . 2.000 2.906 2.875 2.928 0.928 6 10 [-****+****] 1
17 1 2 DC Q2' 1 3 DC H6 . . 4.000 3.781 3.748 3.841 . 0 0 "[ . 1]" 1
18 1 2 DC Q2' 4 5 CFL H1' . . 2.000 2.431 2.401 2.455 0.455 10 0 "[ . 1]" 1
19 1 2 DC H3' 1 2 DC H6 . . 2.000 2.027 2.020 2.039 0.039 8 0 "[ . 1]" 1
20 1 2 DC H6 4 6 DC H1' . . 4.000 4.840 4.763 4.870 0.870 5 10 [****+-****] 1
21 1 3 DC H1' 1 3 DC H6 . . 3.000 3.753 3.748 3.763 0.763 2 10 [*+**-*****] 1
22 1 3 DC Q2' 1 3 DC H6 . . 2.000 2.834 2.778 2.900 0.900 2 10 [*+-*******] 1
23 1 3 DC Q2' 4 4 CFL H1' . . 2.000 2.218 2.087 2.428 0.428 1 0 "[ . 1]" 1
24 1 3 DC H3' 1 3 DC H6 . . 2.000 2.169 2.028 2.254 0.254 6 0 "[ . 1]" 1
25 1 4 CFL F 1 4 CFL H6 . . 2.000 2.258 2.193 2.342 0.342 2 0 "[ . 1]" 1
26 1 4 CFL H1' 1 4 CFL H6 . . 3.000 3.743 3.729 3.750 0.750 10 10 [*-*******+] 1
27 1 4 CFL H1' 4 3 DC Q2' . . 2.000 2.450 2.398 2.486 0.486 2 0 "[ . 1]" 1
28 1 4 CFL H3' 1 4 CFL H6 . . 3.500 4.122 3.902 4.198 0.698 2 9 "[ +****-***]" 1
29 1 5 CFL F 1 5 CFL H6 . . 2.000 2.154 2.125 2.225 0.225 1 0 "[ . 1]" 1
30 1 5 CFL H1' 1 5 CFL H6 . . 3.000 3.766 3.756 3.774 0.774 1 10 [+-********] 1
31 1 5 CFL H1' 4 2 DC H1' . . 2.500 2.906 2.791 3.046 0.546 9 2 "[ . +-]" 1
32 1 5 CFL H1' 4 2 DC Q2' . . 2.000 2.273 2.190 2.398 0.398 9 0 "[ . 1]" 1
33 1 5 CFL H3' 1 5 CFL H6 . . 3.500 3.372 3.338 3.401 . 0 0 "[ . 1]" 1
34 1 6 DC H1' 1 6 DC H6 . . 3.000 3.724 3.708 3.751 0.751 6 10 [*****+***-] 1
35 1 6 DC H1' 4 1 DT H1' . . 2.500 2.913 2.713 3.093 0.593 8 3 "[ . -+*1]" 1
36 1 6 DC H1' 4 2 DC H1' . . 2.500 3.156 3.099 3.279 0.779 10 10 [***-*****+] 1
37 1 6 DC H1' 4 2 DC H6 . . 4.000 4.690 4.558 4.835 0.835 3 10 [**+**-****] 1
38 1 6 DC Q2' 1 6 DC H6 . . 2.000 2.463 2.376 2.601 0.601 6 4 "[ **+- 1]" 1
39 1 6 DC H3' 1 6 DC H6 . . 2.000 2.623 2.386 2.742 0.742 1 7 "[+****-* 1]" 1
40 1 6 DC Q4 2 1 DT C7 . . 3.000 3.544 3.237 3.733 0.733 5 7 "[****+*- 1]" 1
41 1 6 DC Q4 2 1 DT Q2' . . 2.500 2.680 2.457 2.982 0.482 9 0 "[ . 1]" 1
42 1 6 DC H5 2 1 DT C7 . . 3.000 3.988 3.793 4.129 1.129 5 10 [****+****-] 1
43 1 6 DC H6 2 1 DT C7 . . 4.000 5.866 5.675 5.999 1.999 3 10 [**+******-] 1
44 1 6 DC H6 4 1 DT H1' . . 4.000 5.093 4.981 5.205 1.205 8 10 [**-****+**] 1
45 1 6 DC H6 4 2 DC H1' . . 4.000 4.928 4.833 5.023 1.023 10 10 [***-*****+] 1
46 2 1 DT C7 2 1 DT H1' . . 4.000 5.836 5.826 5.847 1.847 4 10 [**-+******] 1
47 2 1 DT H1' 2 1 DT H6 . . 3.000 3.735 3.723 3.747 0.747 4 10 [***+*-****] 1
48 2 1 DT H1' 3 6 DC H1' . . 2.500 2.854 2.738 2.958 0.458 9 0 "[ . 1]" 1
49 2 1 DT H1' 3 6 DC H6 . . 4.000 5.091 4.978 5.231 1.231 8 10 [***-***+**] 1
50 2 1 DT Q2' 2 1 DT H6 . . 2.000 2.566 2.488 2.728 0.728 10 8 "[* *-****+]" 1
51 2 1 DT Q2' 2 2 DC H6 . . 4.000 3.796 3.722 3.847 . 0 0 "[ . 1]" 1
52 2 1 DT H3' 2 1 DT H6 . . 2.000 2.271 2.182 2.478 0.478 9 0 "[ . 1]" 1
53 2 2 DC H1' 2 2 DC H6 . . 3.000 3.762 3.752 3.778 0.778 6 10 [**-**+****] 1
54 2 2 DC H1' 3 5 CFL H1' . . 2.500 3.118 3.018 3.273 0.773 9 10 [***-****+*] 1
55 2 2 DC H1' 3 6 DC H1' . . 2.500 3.247 3.168 3.358 0.858 8 10 [*****-*+**] 1
56 2 2 DC H1' 3 6 DC H6 . . 4.000 5.010 4.967 5.051 1.051 6 10 [-****+****] 1
57 2 2 DC Q2' 2 2 DC H6 . . 2.000 2.660 2.570 2.795 0.795 10 10 [**-******+] 1
58 2 2 DC Q2' 2 3 DC H6 . . 4.000 4.279 4.136 4.343 0.343 1 0 "[ . 1]" 1
59 2 2 DC Q2' 3 5 CFL H1' . . 2.000 2.242 2.196 2.300 0.300 9 0 "[ . 1]" 1
60 2 2 DC H3' 2 2 DC H6 . . 2.000 2.243 2.055 2.375 0.375 8 0 "[ . 1]" 1
61 2 2 DC H6 3 6 DC H1' . . 4.000 4.742 4.657 4.831 0.831 8 10 [***-***+**] 1
62 2 3 DC H1' 2 3 DC H6 . . 3.000 3.730 3.715 3.742 0.742 4 10 [***+*-****] 1
63 2 3 DC Q2' 2 3 DC H6 . . 2.000 2.939 2.900 2.955 0.955 7 10 [-*****+***] 1
64 2 3 DC Q2' 3 4 CFL H1' . . 2.000 2.354 2.294 2.415 0.415 9 0 "[ . 1]" 1
65 2 3 DC H3' 2 3 DC H6 . . 2.000 2.128 2.043 2.261 0.261 6 0 "[ . 1]" 1
66 2 4 CFL F 2 4 CFL H6 . . 2.000 2.184 2.126 2.269 0.269 8 0 "[ . 1]" 1
67 2 4 CFL H1' 2 4 CFL H6 . . 3.000 3.739 3.732 3.750 0.750 1 10 [+****-****] 1
68 2 4 CFL H1' 3 3 DC Q2' . . 2.000 2.335 2.207 2.428 0.428 10 0 "[ . 1]" 1
69 2 4 CFL H3' 2 4 CFL H6 . . 3.500 4.045 3.794 4.186 0.686 5 7 "[****+*- 1]" 1
70 2 5 CFL F 2 5 CFL H6 . . 2.000 2.070 2.024 2.158 0.158 2 0 "[ . 1]" 1
71 2 5 CFL H1' 2 5 CFL H6 . . 3.000 3.746 3.739 3.753 0.753 6 10 [*****+***-] 1
72 2 5 CFL H1' 3 2 DC H1' . . 2.500 2.904 2.792 3.019 0.519 2 1 "[ + . 1]" 1
73 2 5 CFL H1' 3 2 DC Q2' . . 2.000 2.355 2.324 2.390 0.390 6 0 "[ . 1]" 1
74 2 5 CFL H3' 2 5 CFL H6 . . 3.500 3.981 3.789 4.190 0.690 8 3 "[ - . +*1]" 1
75 2 6 DC H1' 2 6 DC H6 . . 3.000 3.714 3.701 3.726 0.726 4 10 [***+****-*] 1
76 2 6 DC H1' 3 1 DT H1' . . 2.500 3.071 2.801 3.363 0.863 6 7 "[- ***+** 1]" 1
77 2 6 DC H1' 3 2 DC H1' . . 2.500 3.327 3.219 3.445 0.945 10 10 [-********+] 1
78 2 6 DC H1' 3 2 DC H6 . . 4.000 4.457 4.246 4.670 0.670 10 3 "[ * . -+]" 1
79 2 6 DC Q2' 2 6 DC H6 . . 2.000 2.507 2.337 2.618 0.618 1 6 "[+ ****- 1]" 1
80 2 6 DC H3' 2 6 DC H6 . . 2.000 2.528 2.429 2.777 0.777 1 5 "[+* .* -*]" 1
81 2 6 DC H6 3 1 DT H1' . . 4.000 5.159 4.970 5.222 1.222 9 10 [-*******+*] 1
82 2 6 DC H6 3 2 DC H1' . . 4.000 5.088 5.027 5.151 1.151 6 10 [*****+***-] 1
83 3 1 DT C7 3 1 DT H1' . . 4.000 5.826 5.814 5.839 1.839 6 10 [**-**+****] 1
84 3 1 DT C7 4 6 DC Q4 . . 3.000 3.246 3.062 3.606 0.606 1 1 "[+ . 1]" 1
85 3 1 DT C7 4 6 DC H5 . . 3.000 3.730 3.593 3.932 0.932 1 10 [+****-****] 1
86 3 1 DT C7 4 6 DC H6 . . 4.000 5.590 5.451 5.847 1.847 1 10 [+**-******] 1
87 3 1 DT H1' 3 1 DT H6 . . 3.000 3.719 3.703 3.748 0.748 1 10 [+****-****] 1
88 3 1 DT Q2' 3 1 DT H6 . . 2.000 2.794 2.648 2.846 0.846 4 10 [-**+******] 1
89 3 1 DT Q2' 3 2 DC H6 . . 4.000 3.723 3.703 3.778 . 0 0 "[ . 1]" 1
90 3 1 DT Q2' 4 6 DC Q4 . . 2.500 2.746 2.422 2.856 0.356 6 0 "[ . 1]" 1
91 3 1 DT H3' 3 1 DT H6 . . 2.000 2.258 2.145 2.458 0.458 6 0 "[ . 1]" 1
92 3 2 DC H1' 3 2 DC H6 . . 3.000 3.771 3.762 3.787 0.787 1 10 [+*******-*] 1
93 3 2 DC Q2' 3 2 DC H6 . . 2.000 2.912 2.864 2.926 0.926 10 10 [-********+] 1
94 3 2 DC Q2' 3 3 DC H6 . . 4.000 3.831 3.735 3.904 . 0 0 "[ . 1]" 1
95 3 2 DC H3' 3 2 DC H6 . . 2.000 2.032 1.996 2.061 0.061 10 0 "[ . 1]" 1
96 3 3 DC H1' 3 3 DC H6 . . 3.000 3.765 3.754 3.770 0.770 4 10 [***+***-**] 1
97 3 3 DC Q2' 3 3 DC H6 . . 2.000 2.893 2.847 2.923 0.923 1 10 [+***-*****] 1
98 3 3 DC H3' 3 3 DC H6 . . 2.000 2.133 2.102 2.198 0.198 2 0 "[ . 1]" 1
99 3 4 CFL F 3 4 CFL H6 . . 2.000 2.543 2.511 2.578 0.578 3 10 [**+****-**] 1
100 3 4 CFL H1' 3 4 CFL H6 . . 3.000 3.733 3.716 3.742 0.742 10 10 [*****-***+] 1
101 3 4 CFL H3' 3 4 CFL H6 . . 3.500 3.499 3.456 3.597 0.097 2 0 "[ . 1]" 1
102 3 5 CFL F 3 5 CFL H6 . . 2.000 2.439 2.400 2.487 0.487 4 0 "[ . 1]" 1
103 3 5 CFL H1' 3 5 CFL H6 . . 3.000 3.746 3.736 3.756 0.756 6 10 [*****+***-] 1
104 3 5 CFL H3' 3 5 CFL H6 . . 3.500 3.775 3.514 3.955 0.455 7 0 "[ . 1]" 1
105 3 6 DC H1' 3 6 DC H6 . . 3.000 3.711 3.701 3.722 0.722 6 10 [*****+*-**] 1
106 3 6 DC Q2' 3 6 DC H6 . . 2.000 2.482 2.360 2.582 0.582 6 4 "[*- *.+ 1]" 1
107 3 6 DC H3' 3 6 DC H6 . . 2.000 2.761 2.534 2.936 0.936 2 10 [*+******-*] 1
108 3 6 DC Q4 4 1 DT C7 . . 3.000 3.528 3.223 3.764 0.764 1 7 "[+****-* 1]" 1
109 3 6 DC Q4 4 1 DT Q2' . . 2.500 2.743 2.608 2.983 0.483 10 0 "[ . 1]" 1
110 3 6 DC H5 4 1 DT C7 . . 3.000 3.920 3.802 4.071 1.071 1 10 [+******-**] 1
111 3 6 DC H6 4 1 DT C7 . . 4.000 5.772 5.623 5.919 1.919 4 10 [***+***-**] 1
112 4 1 DT C7 4 1 DT H1' . . 4.000 5.841 5.825 5.862 1.862 2 10 [*+*******-] 1
113 4 1 DT H1' 4 1 DT H6 . . 3.000 3.734 3.716 3.753 0.753 1 10 [+****-****] 1
114 4 1 DT Q2' 4 1 DT H6 . . 2.000 2.665 2.462 2.856 0.856 6 8 "[** -+****]" 1
115 4 1 DT Q2' 4 2 DC H6 . . 4.000 3.922 3.814 4.011 0.011 4 0 "[ . 1]" 1
116 4 1 DT H3' 4 1 DT H6 . . 2.000 2.139 2.099 2.205 0.205 9 0 "[ . 1]" 1
117 4 2 DC H1' 4 2 DC H6 . . 3.000 3.742 3.725 3.751 0.751 5 10 [****+***-*] 1
118 4 2 DC Q2' 4 2 DC H6 . . 2.000 2.824 2.699 2.960 0.960 9 10 [***-****+*] 1
119 4 2 DC Q2' 4 3 DC H6 . . 4.000 4.042 3.757 4.323 0.323 4 0 "[ . 1]" 1
120 4 2 DC H3' 4 2 DC H6 . . 2.000 2.156 2.005 2.347 0.347 1 0 "[ . 1]" 1
121 4 3 DC H1' 4 3 DC H6 . . 3.000 3.759 3.740 3.783 0.783 6 10 [**-**+****] 1
122 4 3 DC Q2' 4 3 DC H6 . . 2.000 2.926 2.900 2.958 0.958 2 10 [*+******-*] 1
123 4 3 DC H3' 4 3 DC H6 . . 2.000 2.082 2.038 2.106 0.106 7 0 "[ . 1]" 1
124 4 5 CFL F 4 5 CFL H6 . . 2.000 2.515 2.474 2.539 0.539 1 8 "[+- **** **]" 1
125 4 5 CFL H1' 4 5 CFL H6 . . 3.000 3.728 3.722 3.737 0.737 6 10 [**-**+****] 1
126 4 5 CFL H3' 4 5 CFL H6 . . 3.500 4.224 4.148 4.315 0.815 1 10 [+*-*******] 1
127 4 6 DC H1' 4 6 DC H6 . . 3.000 3.706 3.700 3.716 0.716 1 10 [+*******-*] 1
128 4 6 DC H2' 4 6 DC H6 . . 2.000 2.353 2.293 2.504 0.504 1 1 "[+ . 1]" 1
129 4 6 DC H3' 4 6 DC H6 . . 2.000 2.668 2.563 2.827 0.827 1 10 [+****-****] 1
stop_
save_