NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399168 |
1u2a   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u2a
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 140
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 0.683
_Distance_constraint_stats_list.Viol_max 0.158
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0341
_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 0.000 0.000 . 0 "[ ]"
1 2 G 0.043 0.043 1 0 "[ ]"
1 3 U 0.043 0.043 1 0 "[ ]"
1 4 C 0.029 0.029 1 0 "[ ]"
1 5 A 0.044 0.029 1 0 "[ ]"
1 6 G 0.032 0.016 1 0 "[ ]"
1 7 U 0.000 0.000 . 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
1 9 U 0.009 0.009 1 0 "[ ]"
1 10 A 0.042 0.038 1 0 "[ ]"
1 11 A 0.233 0.158 1 0 "[ ]"
1 12 C 0.251 0.158 1 0 "[ ]"
1 13 A 0.160 0.064 1 0 "[ ]"
1 14 A 0.044 0.044 1 0 "[ ]"
1 15 C 0.000 0.000 . 0 "[ ]"
1 16 U 0.034 0.031 1 0 "[ ]"
1 17 G 0.054 0.031 1 0 "[ ]"
1 18 A 0.119 0.071 1 0 "[ ]"
1 19 C 0.053 0.025 1 0 "[ ]"
1 20 C 0.025 0.025 1 0 "[ ]"
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 H8 3.700 3.200 4.200 3.784 3.784 3.784 . 0 0 "[ ]" 1
2 1 1 G H1' 1 2 G H8 4.600 4.300 4.900 4.581 4.581 4.581 . 0 0 "[ ]" 1
3 1 1 G H2' 1 1 G H8 4.100 3.600 4.600 3.840 3.840 3.840 . 0 0 "[ ]" 1
4 1 1 G H2' 1 2 G H1' 4.000 3.500 4.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
5 1 1 G H2' 1 2 G H8 2.100 . 2.600 2.018 2.018 2.018 . 0 0 "[ ]" 1
6 1 1 G H3' 1 1 G H8 2.700 2.200 3.200 2.630 2.630 2.630 . 0 0 "[ ]" 1
7 1 1 G H3' 1 2 G H8 3.000 2.500 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
8 1 2 G H1' 1 2 G H8 3.700 3.200 4.200 3.745 3.745 3.745 . 0 0 "[ ]" 1
9 1 2 G H1' 1 3 U H6 4.600 4.300 4.900 4.719 4.719 4.719 . 0 0 "[ ]" 1
10 1 2 G H2' 1 3 U H1' 4.000 3.500 4.500 4.543 4.543 4.543 0.043 1 0 "[ ]" 1
11 1 2 G H2' 1 3 U H6 2.000 . 2.500 1.962 1.962 1.962 . 0 0 "[ ]" 1
12 1 2 G H8 1 3 U H5 3.800 3.300 4.300 3.800 3.800 3.800 . 0 0 "[ ]" 1
13 1 3 U H1' 1 3 U H6 3.500 3.000 4.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
14 1 3 U H1' 1 4 C H6 4.600 4.300 4.900 4.448 4.448 4.448 . 0 0 "[ ]" 1
15 1 3 U H6 1 4 C H5 3.900 3.400 4.400 3.432 3.432 3.432 . 0 0 "[ ]" 1
16 1 4 C H1' 1 4 C H6 3.500 3.000 4.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
17 1 4 C H1' 1 5 A H8 4.600 4.300 4.900 4.618 4.618 4.618 . 0 0 "[ ]" 1
18 1 4 C H1' 1 18 A H2 4.000 3.000 4.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
19 1 4 C H2' 1 5 A H1' 4.000 3.500 4.500 4.529 4.529 4.529 0.029 1 0 "[ ]" 1
20 1 4 C H6 1 5 A H8 4.000 3.500 5.500 5.245 5.245 5.245 . 0 0 "[ ]" 1
21 1 5 A H1' 1 5 A H8 3.700 3.200 4.200 3.763 3.763 3.763 . 0 0 "[ ]" 1
22 1 5 A H1' 1 6 G H8 4.600 4.300 4.900 4.757 4.757 4.757 . 0 0 "[ ]" 1
23 1 5 A H2 1 6 G H1' 4.000 3.000 4.500 4.135 4.135 4.135 . 0 0 "[ ]" 1
24 1 5 A H2 1 17 G H1' 4.000 3.000 4.500 3.207 3.207 3.207 . 0 0 "[ ]" 1
25 1 5 A H2' 1 5 A H8 4.100 3.600 4.600 3.891 3.891 3.891 . 0 0 "[ ]" 1
26 1 5 A H2' 1 6 G H8 2.100 . 2.600 2.154 2.154 2.154 . 0 0 "[ ]" 1
27 1 5 A H3' 1 5 A H8 2.700 2.200 3.200 2.841 2.841 2.841 . 0 0 "[ ]" 1
28 1 5 A H3' 1 6 G H8 3.000 2.500 3.500 2.485 2.485 2.485 0.015 1 0 "[ ]" 1
29 1 6 G H1' 1 6 G H8 3.700 3.200 4.200 3.658 3.658 3.658 . 0 0 "[ ]" 1
30 1 6 G H1' 1 7 U H6 4.600 4.100 5.100 4.733 4.733 4.733 . 0 0 "[ ]" 1
31 1 6 G H2' 1 6 G H8 4.100 3.600 4.600 4.098 4.098 4.098 . 0 0 "[ ]" 1
32 1 6 G H2' 1 7 U H1' 4.000 3.000 5.500 4.909 4.909 4.909 . 0 0 "[ ]" 1
33 1 6 G H2' 1 7 U H6 2.400 . 3.400 2.049 2.049 2.049 . 0 0 "[ ]" 1
34 1 6 G H3' 1 6 G H8 2.700 2.200 3.200 3.216 3.216 3.216 0.016 1 0 "[ ]" 1
35 1 6 G H3' 1 7 U H6 3.000 . 4.500 3.627 3.627 3.627 . 0 0 "[ ]" 1
36 1 6 G H8 1 7 U H5 3.800 3.300 4.300 4.300 4.300 4.300 . 0 0 "[ ]" 1
37 1 6 G H8 1 7 U H6 4.500 4.000 6.000 5.493 5.493 5.493 . 0 0 "[ ]" 1
38 1 7 U H1' 1 7 U H6 3.000 . 4.500 3.628 3.628 3.628 . 0 0 "[ ]" 1
39 1 7 U H1' 1 8 G H8 4.000 3.000 5.500 5.462 5.462 5.462 . 0 0 "[ ]" 1
40 1 7 U H2' 1 7 U H6 4.000 3.000 5.500 3.630 3.630 3.630 . 0 0 "[ ]" 1
41 1 7 U H2' 1 8 G H8 3.000 . 4.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
42 1 7 U H3' 1 7 U H6 2.400 . 3.400 2.592 2.592 2.592 . 0 0 "[ ]" 1
43 1 7 U H3' 1 8 G H8 2.400 . 3.400 2.439 2.439 2.439 . 0 0 "[ ]" 1
44 1 7 U H6 1 8 G H8 4.000 3.000 5.500 4.317 4.317 4.317 . 0 0 "[ ]" 1
45 1 8 G H1' 1 8 G H8 3.000 . 4.500 3.819 3.819 3.819 . 0 0 "[ ]" 1
46 1 8 G H1' 1 9 U H6 4.000 3.000 5.500 5.088 5.088 5.088 . 0 0 "[ ]" 1
47 1 8 G H1' 1 14 A H2 4.000 3.000 4.500 4.426 4.426 4.426 . 0 0 "[ ]" 1
48 1 8 G H2' 1 8 G H8 3.000 . 4.500 3.629 3.629 3.629 . 0 0 "[ ]" 1
49 1 8 G H2' 1 9 U H6 2.400 . 3.400 2.729 2.729 2.729 . 0 0 "[ ]" 1
50 1 8 G H3' 1 8 G H8 2.400 . 3.400 2.482 2.482 2.482 . 0 0 "[ ]" 1
51 1 8 G H3' 1 9 U H5 4.000 3.000 5.500 3.956 3.956 3.956 . 0 0 "[ ]" 1
52 1 8 G H3' 1 9 U H6 3.000 . 4.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
53 1 8 G H8 1 9 U H5 4.000 3.000 5.500 5.078 5.078 5.078 . 0 0 "[ ]" 1
54 1 9 U H1' 1 9 U H6 3.000 . 4.500 3.685 3.685 3.685 . 0 0 "[ ]" 1
55 1 9 U H1' 1 11 A H8 4.000 3.000 5.500 4.477 4.477 4.477 . 0 0 "[ ]" 1
56 1 9 U H1' 1 12 C H5 2.400 . 3.400 3.409 3.409 3.409 0.009 1 0 "[ ]" 1
57 1 9 U H1' 1 12 C H6 4.000 3.000 5.500 4.245 4.245 4.245 . 0 0 "[ ]" 1
58 1 9 U H2' 1 9 U H6 4.000 3.000 5.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
59 1 9 U H2' 1 10 A H8 3.000 . 4.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
60 1 9 U H2' 1 11 A H8 3.000 . 4.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
61 1 9 U H3' 1 9 U H6 3.000 . 4.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
62 1 10 A H1' 1 10 A H2' 2.400 . 3.400 2.797 2.797 2.797 . 0 0 "[ ]" 1
63 1 10 A H1' 1 10 A H8 3.000 . 4.500 3.444 3.444 3.444 . 0 0 "[ ]" 1
64 1 10 A H1' 1 11 A H8 4.000 3.000 5.500 4.729 4.729 4.729 . 0 0 "[ ]" 1
65 1 10 A H2 1 10 A H2' 4.000 3.000 4.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
66 1 10 A H2 1 11 A H1' 4.000 3.000 4.500 3.194 3.194 3.194 . 0 0 "[ ]" 1
67 1 10 A H2 1 11 A H2 4.000 3.000 4.500 4.538 4.538 4.538 0.038 1 0 "[ ]" 1
68 1 10 A H2' 1 10 A H8 3.000 . 4.500 4.445 4.445 4.445 . 0 0 "[ ]" 1
69 1 10 A H2' 1 11 A H8 3.000 . 4.500 1.996 1.996 1.996 0.004 1 0 "[ ]" 1
70 1 10 A H3' 1 10 A H8 3.000 . 4.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
71 1 10 A H8 1 11 A H8 4.000 3.000 5.500 5.466 5.466 5.466 . 0 0 "[ ]" 1
72 1 11 A H1' 1 11 A H8 3.000 . 4.500 3.820 3.820 3.820 . 0 0 "[ ]" 1
73 1 11 A H2 1 12 C H1' 4.000 3.000 4.500 4.532 4.532 4.532 0.032 1 0 "[ ]" 1
74 1 11 A H2' 1 11 A H8 3.000 . 4.500 3.597 3.597 3.597 . 0 0 "[ ]" 1
75 1 11 A H2' 1 12 C H6 3.000 . 4.500 3.164 3.164 3.164 . 0 0 "[ ]" 1
76 1 11 A H3' 1 11 A H8 3.000 . 4.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
77 1 11 A H3' 1 12 C H6 4.000 3.000 5.500 4.816 4.816 4.816 . 0 0 "[ ]" 1
78 1 11 A H4' 1 12 C H1' 3.000 . 4.500 4.658 4.658 4.658 0.158 1 0 "[ ]" 1
79 1 12 C H1' 1 12 C H6 3.000 . 4.500 3.506 3.506 3.506 . 0 0 "[ ]" 1
80 1 12 C H2' 1 12 C H6 4.000 3.000 5.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
81 1 12 C H2' 1 13 A H1' 3.000 . 4.000 3.109 3.109 3.109 . 0 0 "[ ]" 1
82 1 12 C H2' 1 13 A H2' 3.000 . 4.500 4.552 4.552 4.552 0.052 1 0 "[ ]" 1
83 1 12 C H2' 1 13 A H8 3.000 . 4.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
84 1 12 C H3' 1 12 C H6 2.400 . 3.400 3.321 3.321 3.321 . 0 0 "[ ]" 1
85 1 12 C H3' 1 13 A H8 3.000 . 4.500 2.073 2.073 2.073 . 0 0 "[ ]" 1
86 1 13 A H1' 1 13 A H2 4.000 3.000 4.500 4.564 4.564 4.564 0.064 1 0 "[ ]" 1
87 1 13 A H1' 1 13 A H8 3.000 . 4.500 3.820 3.820 3.820 . 0 0 "[ ]" 1
88 1 13 A H1' 1 14 A H8 4.000 3.000 5.500 5.031 5.031 5.031 . 0 0 "[ ]" 1
89 1 13 A H2 1 14 A H1' 4.000 3.000 4.500 4.066 4.066 4.066 . 0 0 "[ ]" 1
90 1 13 A H2 1 14 A H2 4.500 4.200 5.300 5.344 5.344 5.344 0.044 1 0 "[ ]" 1
91 1 13 A H2' 1 13 A H8 3.000 . 4.500 3.738 3.738 3.738 . 0 0 "[ ]" 1
92 1 13 A H2' 1 14 A H1' 4.000 3.000 5.500 3.238 3.238 3.238 . 0 0 "[ ]" 1
93 1 13 A H2' 1 14 A H8 2.400 . 3.400 2.508 2.508 2.508 . 0 0 "[ ]" 1
94 1 13 A H3' 1 14 A H8 3.000 . 4.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
95 1 14 A H1' 1 14 A H8 3.000 . 4.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
96 1 14 A H1' 1 15 C H6 4.000 3.000 5.500 4.530 4.530 4.530 . 0 0 "[ ]" 1
97 1 14 A H2 1 15 C H1' 4.000 3.000 4.500 4.355 4.355 4.355 . 0 0 "[ ]" 1
98 1 14 A H2' 1 14 A H8 3.000 . 4.500 3.855 3.855 3.855 . 0 0 "[ ]" 1
99 1 14 A H2' 1 15 C H1' 4.000 3.500 4.500 4.108 4.108 4.108 . 0 0 "[ ]" 1
100 1 14 A H2' 1 15 C H6 2.000 . 2.500 1.906 1.906 1.906 . 0 0 "[ ]" 1
101 1 14 A H3' 1 14 A H8 3.000 . 4.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
102 1 14 A H3' 1 15 C H6 3.100 2.600 3.600 2.966 2.966 2.966 . 0 0 "[ ]" 1
103 1 14 A H8 1 15 C H5 4.000 3.000 5.500 3.590 3.590 3.590 . 0 0 "[ ]" 1
104 1 14 A H8 1 15 C H6 4.000 3.000 5.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
105 1 15 C H1' 1 15 C H6 3.500 3.000 4.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
106 1 15 C H1' 1 16 U H6 4.600 4.100 5.100 4.800 4.800 4.800 . 0 0 "[ ]" 1
107 1 15 C H2' 1 15 C H6 3.900 3.400 4.400 3.932 3.932 3.932 . 0 0 "[ ]" 1
108 1 15 C H2' 1 16 U H1' 4.000 3.500 4.500 4.367 4.367 4.367 . 0 0 "[ ]" 1
109 1 15 C H2' 1 16 U H6 2.000 . 2.500 2.028 2.028 2.028 . 0 0 "[ ]" 1
110 1 15 C H3' 1 15 C H6 2.600 2.100 3.100 2.840 2.840 2.840 . 0 0 "[ ]" 1
111 1 15 C H3' 1 16 U H6 3.100 2.600 3.600 3.202 3.202 3.202 . 0 0 "[ ]" 1
112 1 16 U H1' 1 16 U H6 3.500 3.000 4.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
113 1 16 U H1' 1 17 G H8 4.600 4.300 4.900 4.297 4.297 4.297 0.003 1 0 "[ ]" 1
114 1 16 U H2' 1 17 G H1' 4.000 3.500 4.500 3.469 3.469 3.469 0.031 1 0 "[ ]" 1
115 1 16 U H3' 1 17 G H8 3.000 2.500 3.500 2.710 2.710 2.710 . 0 0 "[ ]" 1
116 1 17 G H1' 1 17 G H8 3.700 3.200 4.200 3.637 3.637 3.637 . 0 0 "[ ]" 1
117 1 17 G H1' 1 18 A H8 4.600 4.300 4.900 4.805 4.805 4.805 . 0 0 "[ ]" 1
118 1 17 G H2' 1 17 G H8 4.100 3.600 4.600 4.119 4.119 4.119 . 0 0 "[ ]" 1
119 1 17 G H2' 1 18 A H8 2.100 . 2.600 2.061 2.061 2.061 . 0 0 "[ ]" 1
120 1 17 G H3' 1 18 A H8 3.000 2.500 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 1
121 1 18 A H1' 1 18 A H2 4.000 3.000 4.500 4.571 4.571 4.571 0.071 1 0 "[ ]" 1
122 1 18 A H1' 1 18 A H8 3.700 3.200 4.200 3.809 3.809 3.809 . 0 0 "[ ]" 1
123 1 18 A H1' 1 19 C H6 4.600 4.300 4.900 4.803 4.803 4.803 . 0 0 "[ ]" 1
124 1 18 A H2 1 19 C H1' 4.000 3.000 4.500 4.509 4.509 4.509 0.009 1 0 "[ ]" 1
125 1 18 A H2' 1 18 A H8 4.100 3.600 4.600 3.867 3.867 3.867 . 0 0 "[ ]" 1
126 1 18 A H2' 1 19 C H1' 4.000 3.500 4.500 3.654 3.654 3.654 . 0 0 "[ ]" 1
127 1 18 A H2' 1 19 C H5 3.500 3.000 4.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
128 1 18 A H2' 1 19 C H6 2.000 . 2.500 2.126 2.126 2.126 . 0 0 "[ ]" 1
129 1 18 A H3' 1 19 C H5 3.300 2.800 3.800 2.787 2.787 2.787 0.013 1 0 "[ ]" 1
130 1 18 A H3' 1 19 C H6 3.100 2.600 3.600 2.649 2.649 2.649 . 0 0 "[ ]" 1
131 1 18 A H8 1 19 C H5 3.800 3.300 4.300 3.294 3.294 3.294 0.006 1 0 "[ ]" 1
132 1 19 C H1' 1 19 C H6 3.500 3.000 4.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
133 1 19 C H1' 1 20 C H6 4.600 4.300 4.900 4.809 4.809 4.809 . 0 0 "[ ]" 1
134 1 19 C H2' 1 19 C H6 3.900 3.400 4.400 3.760 3.760 3.760 . 0 0 "[ ]" 1
135 1 19 C H2' 1 20 C H1' 4.000 3.500 4.500 4.525 4.525 4.525 0.025 1 0 "[ ]" 1
136 1 19 C H2' 1 20 C H6 2.000 . 2.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
137 1 19 C H5 1 20 C H5 4.000 3.500 4.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
138 1 20 C H1' 1 20 C H6 3.500 3.000 4.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
139 1 20 C H2' 1 20 C H6 3.900 3.400 4.400 3.651 3.651 3.651 . 0 0 "[ ]" 1
140 1 20 C H3' 1 20 C H6 2.600 2.100 3.100 2.497 2.497 2.497 . 0 0 "[ ]" 1
stop_
save_
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