NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
36921 |
1oo7   |
5781 | cing | 2-parsed | STAR | entry | full |
data_1oo7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1oo7
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1oo7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1oo7
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1oo7 "Master copy" parsed_1oo7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1oo7
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1oo7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1oo7 1
1 1oo7.mr . . DISCOVER 2 distance NOE simple 0 parsed_1oo7 1
1 1oo7.mr . . DISCOVER 3 distance "hydrogen bond" simple 0 parsed_1oo7 1
1 1oo7.mr . . DISCOVER 4 distance NOE simple 0 parsed_1oo7 1
1 1oo7.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1oo7 1
1 1oo7.mr . . DISCOVER 6 distance NOE simple 0 parsed_1oo7 1
1 1oo7.mr . . DISCOVER 7 distance "general distance" simple 0 parsed_1oo7 1
1 1oo7.mr . . DISCOVER 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1oo7 1
1 1oo7.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1oo7 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1oo7
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DNA/RNA 03-MAR-03 1OO7
*TITLE DNA.RNA HYBRID DUPLEX CONTAINING A 5-PROPYNE DNA STRAND AND
*TITLE 2 PURINE-RICH RNA STRAND, NMR, 4 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 5'-R(*GP*AP*AP*GP*AP*GP*AP*AP*GP*C)-3';
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: 5'-D(*GP*(5PC)P*(PDU)P*(PDU)P*(5PC)P*(PDU)
*COMPND 7 P*(5PC)P*(PDU)P*(PDU)P*C)-3';
*COMPND 8 CHAIN: B;
*COMPND 9 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 MOL_ID: 2;
*SOURCE 4 SYNTHETIC: YES
*KEYWDS DNA.RNA HYBRID, PURINE/PYRIMIDINE-RICH STRANDS, ANTISENSE
*EXPDTA NMR, 4 STRUCTURES
*AUTHOR J.I.GYI, D.GAO, G.L.CONN, J.O.TRENT, T.BROWN, A.N.LANE
*REVDAT 1 11-NOV-03 1OO7 0
;
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1oo7
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 distance 2 1 2 9 parsed_1oo7 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "1:G_1:H1* 1:G_1:H8 3.600 3.900 100.00 100.00" 3 1 3 65 parsed_1oo7 1
2 "1:A_2:H1* 1:A_2:H8 3.500 4.200 100.00 100.00" 4 1 4 65 parsed_1oo7 1
3 "1:A_3:H1* 1:A_3:H8 3.500 4.200 100.00 100.00" 5 1 5 65 parsed_1oo7 1
4 "1:G_4:H1* 1:G_4:H8 3.500 4.200 100.00 100.00" 6 1 6 65 parsed_1oo7 1
5 "1:A_5:H1* 1:A_5:H8 3.500 4.200 100.00 100.00" 7 1 7 65 parsed_1oo7 1
6 "1:G_6:H1* 1:G_6:H8 3.500 4.200 100.00 100.00" 8 1 8 65 parsed_1oo7 1
7 "1:A_7:H1* 1:A_7:H8 3.500 4.200 100.00 100.00" 9 1 9 65 parsed_1oo7 1
8 "1:A_8:H1* 1:A_8:H8 3.500 4.200 100.00 100.00" 10 1 10 65 parsed_1oo7 1
9 "1:G_9:H1* 1:G_9:H8 3.500 4.200 100.00 100.00" 11 1 11 65 parsed_1oo7 1
10 "1:C_10:H1* 1:C_10:H6 3.500 4.200 100.00 100.00" 12 1 12 65 parsed_1oo7 1
11 "1:G_1:H1* 1:A_2:H8 3.500 4.800 100.00 100.00" 13 1 13 65 parsed_1oo7 1
12 "1:A_2:H1* 1:A_3:H8 3.500 4.800 100.00 100.00" 14 1 14 65 parsed_1oo7 1
13 "1:A_3:H1* 1:G_4:H8 3.500 4.800 100.00 100.00" 15 1 15 65 parsed_1oo7 1
14 "1:G_4:H1* 1:A_5:H8 3.500 4.800 100.00 100.00" 16 1 16 65 parsed_1oo7 1
15 "1:A_5:H1* 1:G_6:H8 3.500 4.800 100.00 100.00" 17 1 17 65 parsed_1oo7 1
16 "1:G_6:H1* 1:A_7:H8 3.500 4.800 100.00 100.00" 18 1 18 65 parsed_1oo7 1
17 "1:A_7:H1* 1:A_8:H8 3.500 4.800 100.00 100.00" 19 1 19 65 parsed_1oo7 1
18 "1:A_8:H1* 1:G_9:H8 2.000 5.200 100.00 100.00" 20 1 20 65 parsed_1oo7 1
19 "1:G_9:H1* 1:C_10:H6 3.500 4.500 100.00 100.00" 21 1 21 65 parsed_1oo7 1
20 "1:G_1:H2*1 1:G_1:H8 3.000 4.500 100.00 100.00" 23 1 23 65 parsed_1oo7 1
21 "1:A_2:H2*1 1:A_2:H8 3.000 4.500 100.00 100.00" 24 1 24 65 parsed_1oo7 1
22 "1:A_3:H2*1 1:A_3:H8 3.000 4.500 100.00 100.00" 25 1 25 65 parsed_1oo7 1
23 "1:G_4:H2*1 1:G_4:H8 3.000 5.000 100.00 100.00" 26 1 26 65 parsed_1oo7 1
24 "1:A_5:H2*1 1:A_5:H8 2.000 5.000 100.00 100.00" 27 1 27 65 parsed_1oo7 1
25 "1:G_6:H2*1 1:G_6:H8 3.000 4.500 100.00 100.00" 28 1 28 65 parsed_1oo7 1
26 "1:A_7:H2*1 1:A_7:H8 2.000 5.000 100.00 100.00" 29 1 29 65 parsed_1oo7 1
27 "1:A_8:H2*1 1:A_8:H8 3.000 4.500 100.00 100.00" 30 1 30 65 parsed_1oo7 1
28 "1:G_9:H2*1 1:G_9:H8 3.000 4.000 100.00 100.00" 31 1 31 65 parsed_1oo7 1
29 "1:C_10:H2*1 1:C_10:H6 2.500 4.000 100.00 100.00" 32 1 32 65 parsed_1oo7 1
30 "1:G_1:H2*1 1:A_2:H8 2.000 3.000 100.00 100.00" 33 1 33 65 parsed_1oo7 1
31 "1:A_2:H2*1 1:A_3:H8 2.000 3.000 100.00 100.00" 34 1 34 65 parsed_1oo7 1
32 "1:A_3:H2*1 1:G_4:H8 2.000 3.000 100.00 100.00" 35 1 35 65 parsed_1oo7 1
33 "1:G_4:H2*1 1:A_5:H8 2.000 4.000 100.00 100.00" 36 1 36 65 parsed_1oo7 1
34 "1:A_5:H2*1 1:G_6:H8 2.500 3.500 100.00 100.00" 37 1 37 65 parsed_1oo7 1
35 "1:G_6:H2*1 1:A_7:H8 2.000 3.000 100.00 100.00" 38 1 38 65 parsed_1oo7 1
36 "1:A_7:H2*1 1:A_8:H8 2.000 3.000 100.00 100.00" 39 1 39 65 parsed_1oo7 1
37 "1:A_8:H2*1 1:G_9:H8 2.000 2.700 100.00 100.00" 40 1 40 65 parsed_1oo7 1
38 "1:G_9:H2*1 1:C_10:H6 2.000 2.500 100.00 100.00" 41 1 41 65 parsed_1oo7 1
39 "1:G_1:H3* 1:G_1:H8 3.000 4.000 100.00 100.00" 43 1 43 65 parsed_1oo7 1
40 "1:G_4:H3* 1:G_4:H8 2.500 3.500 100.00 100.00" 44 1 44 65 parsed_1oo7 1
41 "1:G_6:H3* 1:G_6:H8 2.000 3.000 100.00 100.00" 45 1 45 65 parsed_1oo7 1
42 "1:C_10:H3* 1:C_10:H6 2.000 3.000 100.00 100.00" 46 1 46 65 parsed_1oo7 1
43 "1:A_3:H3* 1:G_4:H8 2.500 5.000 100.00 100.00" 47 1 47 65 parsed_1oo7 1
44 "1:G_4:H3* 1:A_5:H8 2.500 4.000 100.00 100.00" 48 1 48 65 parsed_1oo7 1
45 "1:A_5:H3* 1:G_6:H8 2.500 4.000 100.00 100.00" 49 1 49 65 parsed_1oo7 1
46 "1:G_6:H3* 1:A_7:H8 2.500 4.000 100.00 100.00" 50 1 50 65 parsed_1oo7 1
47 "1:G_9:H3* 1:C_10:H6 2.500 4.000 100.00 100.00" 51 1 51 65 parsed_1oo7 1
48 "1:G_1:H4* 1:G_1:H8 3.000 5.000 100.00 100.00" 52 1 52 65 parsed_1oo7 1
49 "1:G_6:H4* 1:G_6:H8 3.000 5.000 100.00 100.00" 53 1 53 65 parsed_1oo7 1
50 "1:C_10:H4* 1:C_10:H6 3.000 5.000 100.00 100.00" 54 1 54 65 parsed_1oo7 1
51 "1:G_1:H1* 1:G_1:H4* 3.000 4.000 100.00 100.00" 56 1 56 65 parsed_1oo7 1
52 "1:A_2:H1* 1:A_2:H4* 3.000 4.000 100.00 100.00" 57 1 57 65 parsed_1oo7 1
53 "1:A_3:H1* 1:A_3:H4* 3.000 4.000 100.00 100.00" 58 1 58 65 parsed_1oo7 1
54 "1:G_4:H1* 1:G_4:H4* 3.000 4.000 100.00 100.00" 59 1 59 65 parsed_1oo7 1
55 "1:A_5:H1* 1:A_5:H4* 3.000 4.000 100.00 100.00" 60 1 60 65 parsed_1oo7 1
56 "1:G_6:H1* 1:G_6:H4* 3.000 4.000 100.00 100.00" 61 1 61 65 parsed_1oo7 1
57 "1:A_7:H1* 1:A_7:H4* 3.000 4.000 100.00 100.00" 62 1 62 65 parsed_1oo7 1
58 "1:A_8:H1* 1:A_8:H4* 3.000 4.000 100.00 100.00" 63 1 63 65 parsed_1oo7 1
59 "1:G_9:H1* 1:G_9:H4* 3.000 4.000 100.00 100.00" 64 1 64 65 parsed_1oo7 1
60 "1:C_10:H1* 1:C_10:H4* 3.000 4.000 100.00 100.00" 65 1 65 65 parsed_1oo7 1
61 "1:G_1:H8 1:A_2:H8 4.000 6.000 100.00 100.00" 67 1 67 65 parsed_1oo7 1
62 "1:A_2:H8 1:A_3:H8 4.000 6.000 100.00 100.00" 68 1 68 65 parsed_1oo7 1
63 "1:A_3:H8 1:G_4:H8 4.000 6.000 100.00 100.00" 69 1 69 65 parsed_1oo7 1
64 "1:G_4:H8 1:A_5:H8 4.000 6.000 100.00 100.00" 70 1 70 65 parsed_1oo7 1
65 "1:A_5:H8 1:G_6:H8 4.000 6.000 100.00 100.00" 71 1 71 65 parsed_1oo7 1
66 "1:G_6:H8 1:A_7:H8 4.000 6.000 100.00 100.00" 72 1 72 65 parsed_1oo7 1
67 "1:A_7:H8 1:A_8:H8 4.000 6.000 100.00 100.00" 73 1 73 65 parsed_1oo7 1
68 "1:A_8:H8 1:G_9:H8 4.000 6.000 100.00 100.00" 74 1 74 65 parsed_1oo7 1
69 "1:G_9:H8 1:C_10:H6 4.000 6.000 100.00 100.00" 75 1 75 65 parsed_1oo7 1
70 "1:A_2:H2 1:A_3:H1* 3.000 4.000 100.00 100.00" 77 1 77 65 parsed_1oo7 1
71 "1:A_3:H2 1:G_4:H1* 2.500 4.000 100.00 100.00" 78 1 78 65 parsed_1oo7 1
72 "1:A_5:H2 1:G_6:H1* 2.400 4.000 100.00 100.00" 79 1 79 65 parsed_1oo7 1
73 "1:A_7:H2 1:A_8:H1* 2.000 4.000 100.00 100.00" 80 1 80 65 parsed_1oo7 1
74 "1:A_8:H2 1:G_9:H1* 2.000 4.000 100.00 100.00" 81 1 81 65 parsed_1oo7 1
75 "1:G_1B:H1* 1:G_1B:H8 3.500 4.000 100.00 100.00" 83 1 83 65 parsed_1oo7 1
76 "1:T_3B:H1* 1:T_3B:H6 3.500 4.000 100.00 100.00" 84 1 84 63 parsed_1oo7 1
77 "1:T_4B:H1* 1:T_4B:H6 3.500 4.000 100.00 100.00" 85 1 85 63 parsed_1oo7 1
78 "1:C_5B:H1* 1:C_5B:H6 3.500 4.000 100.00 100.00" 86 1 86 63 parsed_1oo7 1
79 "1:T_6B:H1* 1:T_6B:H6 3.500 4.000 100.00 100.00" 87 1 87 63 parsed_1oo7 1
80 "1:C_7B:H1* 1:C_7B:H6 3.500 4.000 100.00 100.00" 88 1 88 63 parsed_1oo7 1
81 "1:T_8B:H1* 1:T_8B:H6 3.500 4.000 100.00 100.00" 89 1 89 63 parsed_1oo7 1
82 "1:T_9B:H1* 1:T_9B:H6 3.500 4.000 100.00 100.00" 90 1 90 63 parsed_1oo7 1
83 "1:C_10B:H1* 1:C_10B:H6 3.500 4.000 100.00 100.00" 91 1 91 65 parsed_1oo7 1
84 "1:G_1B:H1* 1:C_2B:H6 3.500 5.000 100.00 100.00" 92 1 92 64 parsed_1oo7 1
85 "1:T_3B:H1* 1:T_4B:H6 3.500 5.000 100.00 100.00" 93 1 93 63 parsed_1oo7 1
86 "1:C_5B:H1* 1:T_6B:H6 3.400 5.000 100.00 100.00" 94 1 94 63 parsed_1oo7 1
87 "1:T_6B:H1* 1:C_7B:H6 3.300 5.000 100.00 100.00" 95 1 95 63 parsed_1oo7 1
88 "1:C_7B:H1* 1:T_8B:H6 3.600 5.000 100.00 100.00" 96 1 96 63 parsed_1oo7 1
89 "1:T_8B:H1* 1:T_9B:H6 3.500 5.000 100.00 100.00" 97 1 97 63 parsed_1oo7 1
90 "1:T_9B:H1* 1:C_10B:H6 4.000 5.000 100.00 100.00" 98 1 98 64 parsed_1oo7 1
91 "1:G_1B:H2*2 1:G_1B:H8 2.500 5.000 100.00 100.00" 100 1 100 65 parsed_1oo7 1
92 "1:C_2B:H2*2 1:C_2B:H6 2.000 2.700 100.00 100.00" 101 1 101 63 parsed_1oo7 1
93 "1:T_3B:H2*2 1:T_3B:H6 2.000 2.700 100.00 100.00" 102 1 102 63 parsed_1oo7 1
94 "1:T_4B:H2*2 1:T_4B:H6 2.000 2.700 100.00 100.00" 103 1 103 63 parsed_1oo7 1
95 "1:T_6B:H2*2 1:T_6B:H6 2.300 3.200 100.00 100.00" 104 1 104 63 parsed_1oo7 1
96 "1:C_7B:H2*2 1:C_7B:H6 2.400 3.000 100.00 100.00" 105 1 105 63 parsed_1oo7 1
97 "1:T_8B:H2*2 1:T_8B:H6 2.000 2.600 100.00 100.00" 106 1 106 63 parsed_1oo7 1
98 "1:T_9B:H2*2 1:T_9B:H6 2.000 2.600 100.00 100.00" 107 1 107 63 parsed_1oo7 1
99 "1:C_10B:H2*2 1:C_10B:H6 2.200 2.800 100.00 100.00" 108 1 108 65 parsed_1oo7 1
100 "1:G_1B:H2*1 1:G_1B:H8 2.500 4.000 100.00 100.00" 109 1 109 65 parsed_1oo7 1
101 "1:C_2B:H2*1 1:C_2B:H6 2.000 5.000 100.00 100.00" 110 1 110 63 parsed_1oo7 1
102 "1:T_3B:H2*1 1:T_3B:H6 2.500 4.000 100.00 100.00" 111 1 111 63 parsed_1oo7 1
103 "1:T_4B:H2*1 1:T_4B:H6 2.500 4.000 100.00 100.00" 112 1 112 63 parsed_1oo7 1
104 "1:C_5B:H2*1 1:C_5B:H6 2.600 4.000 100.00 100.00" 113 1 113 63 parsed_1oo7 1
105 "1:T_6B:H2*1 1:T_6B:H6 2.600 4.000 100.00 100.00" 114 1 114 63 parsed_1oo7 1
106 "1:C_7B:H2*1 1:C_7B:H6 2.400 4.000 100.00 100.00" 115 1 115 63 parsed_1oo7 1
107 "1:T_8B:H2*1 1:T_8B:H6 2.800 4.000 100.00 100.00" 116 1 116 63 parsed_1oo7 1
108 "1:T_9B:H2*1 1:T_9B:H6 3.000 4.000 100.00 100.00" 117 1 117 63 parsed_1oo7 1
109 "1:C_10B:H2*1 1:C_10B:H6 2.500 4.000 100.00 100.00" 118 1 118 65 parsed_1oo7 1
110 "1:G_1B:H2*2 1:C_2B:H6 2.300 3.500 100.00 100.00" 120 1 120 64 parsed_1oo7 1
111 "1:C_2B:H2*2 1:T_3B:H6 2.000 3.500 100.00 100.00" 121 1 121 63 parsed_1oo7 1
112 "1:T_3B:H2*2 1:T_4B:H6 2.000 3.500 100.00 100.00" 122 1 122 63 parsed_1oo7 1
113 "1:T_4B:H2*2 1:C_5B:H6 2.300 3.500 100.00 100.00" 123 1 123 63 parsed_1oo7 1
114 "1:C_5B:H2*2 1:T_6B:H6 2.000 3.500 100.00 100.00" 124 1 124 63 parsed_1oo7 1
115 "1:T_6B:H2*2 1:C_7B:H6 2.400 3.500 100.00 100.00" 125 1 125 63 parsed_1oo7 1
116 "1:C_7B:H2*2 1:T_8B:H6 2.300 3.500 100.00 100.00" 126 1 126 63 parsed_1oo7 1
117 "1:T_8B:H2*2 1:T_9B:H6 2.300 3.500 100.00 100.00" 127 1 127 63 parsed_1oo7 1
118 "1:T_9B:H2*2 1:C_10B:H6 2.500 4.000 100.00 100.00" 128 1 128 64 parsed_1oo7 1
119 "1:G_1B:H2*1 1:C_2B:H6 2.000 3.000 100.00 100.00" 130 1 130 64 parsed_1oo7 1
120 "1:C_2B:H2*1 1:T_3B:H6 2.400 3.500 100.00 100.00" 131 1 131 63 parsed_1oo7 1
121 "1:T_3B:H2*1 1:T_4B:H6 2.500 3.500 100.00 100.00" 132 1 132 63 parsed_1oo7 1
122 "1:T_4B:H2*1 1:C_5B:H6 2.000 3.000 100.00 100.00" 133 1 133 63 parsed_1oo7 1
123 "1:C_5B:H2*1 1:T_6B:H6 2.400 3.500 100.00 100.00" 134 1 134 63 parsed_1oo7 1
124 "1:T_6B:H2*1 1:C_7B:H6 2.400 3.500 100.00 100.00" 135 1 135 63 parsed_1oo7 1
125 "1:C_7B:H2*1 1:T_8B:H6 2.400 3.500 100.00 100.00" 136 1 136 63 parsed_1oo7 1
126 "1:T_8B:H2*1 1:T_9B:H6 2.400 3.000 100.00 100.00" 137 1 137 63 parsed_1oo7 1
127 "1:T_9B:H2*1 1:C_10B:H6 2.000 3.000 100.00 100.00" 138 1 138 64 parsed_1oo7 1
128 "1:G_1B:H3* 1:G_1B:H8 3.000 4.200 100.00 100.00" 140 1 140 65 parsed_1oo7 1
129 "1:C_2B:H3* 1:C_2B:H6 2.500 4.000 100.00 100.00" 141 1 141 63 parsed_1oo7 1
130 "1:T_3B:H3* 1:T_3B:H6 3.000 4.200 100.00 100.00" 142 1 142 63 parsed_1oo7 1
131 "1:T_4B:H3* 1:T_4B:H6 3.000 4.200 100.00 100.00" 143 1 143 63 parsed_1oo7 1
132 "1:C_5B:H3* 1:C_5B:H6 3.000 5.000 100.00 100.00" 144 1 144 63 parsed_1oo7 1
133 "1:T_6B:H3* 1:T_6B:H6 3.000 4.200 100.00 100.00" 145 1 145 63 parsed_1oo7 1
134 "1:C_7B:H3* 1:C_7B:H6 3.000 5.000 100.00 100.00" 146 1 146 63 parsed_1oo7 1
135 "1:T_8B:H3* 1:T_8B:H6 3.000 5.000 100.00 100.00" 147 1 147 63 parsed_1oo7 1
136 "1:T_9B:H3* 1:T_9B:H6 3.000 5.000 100.00 100.00" 148 1 148 63 parsed_1oo7 1
137 "1:C_10B:H3* 1:C_10B:H6 2.000 3.900 100.00 100.00" 149 1 149 65 parsed_1oo7 1
138 "1:T_4B:H3* 1:C_5B:H6 4.000 6.000 100.00 100.00" 150 1 150 63 parsed_1oo7 1
139 "1:C_5B:H3* 1:T_6B:H6 4.000 6.000 100.00 100.00" 151 1 151 63 parsed_1oo7 1
140 "1:T_6B:H3* 1:C_7B:H6 4.000 6.000 100.00 100.00" 152 1 152 63 parsed_1oo7 1
141 "1:C_7B:H3* 1:T_8B:H6 4.000 6.000 100.00 100.00" 153 1 153 63 parsed_1oo7 1
142 "1:G_1B:H4* 1:G_1B:H8 3.000 5.000 100.00 100.00" 155 1 155 65 parsed_1oo7 1
143 "1:C_2B:H4* 1:C_2B:H6 3.000 5.000 100.00 100.00" 156 1 156 63 parsed_1oo7 1
144 "1:T_3B:H4* 1:T_3B:H6 3.000 5.000 100.00 100.00" 157 1 157 63 parsed_1oo7 1
145 "1:T_4B:H4* 1:T_4B:H6 3.000 5.000 100.00 100.00" 158 1 158 63 parsed_1oo7 1
146 "1:C_5B:H4* 1:C_5B:H6 3.000 5.000 100.00 100.00" 159 1 159 63 parsed_1oo7 1
147 "1:T_6B:H4* 1:T_6B:H6 3.000 5.000 100.00 100.00" 160 1 160 63 parsed_1oo7 1
148 "1:C_7B:H4* 1:C_7B:H6 3.000 5.000 100.00 100.00" 161 1 161 63 parsed_1oo7 1
149 "1:T_8B:H4* 1:T_8B:H6 3.000 5.000 100.00 100.00" 162 1 162 63 parsed_1oo7 1
150 "1:T_9B:H4* 1:T_9B:H6 3.000 5.000 100.00 100.00" 163 1 163 63 parsed_1oo7 1
151 "1:G_1B:H1* 1:G_1B:H4* 3.000 4.000 100.00 100.00" 164 1 164 65 parsed_1oo7 1
152 "1:C_2B:H1* 1:C_2B:H4* 3.000 4.000 100.00 100.00" 165 1 165 63 parsed_1oo7 1
153 "1:T_3B:H1* 1:T_3B:H4* 3.000 4.000 100.00 100.00" 166 1 166 63 parsed_1oo7 1
154 "1:T_4B:H1* 1:T_4B:H4* 3.000 4.000 100.00 100.00" 167 1 167 63 parsed_1oo7 1
155 "1:T_6B:H1* 1:T_6B:H4* 3.000 4.000 100.00 100.00" 168 1 168 63 parsed_1oo7 1
156 "1:T_8B:H1* 1:T_8B:H4* 3.000 4.000 100.00 100.00" 169 1 169 63 parsed_1oo7 1
157 "1:T_9B:H1* 1:T_9B:H4* 3.000 4.000 100.00 100.00" 170 1 170 63 parsed_1oo7 1
158 "1:C_10B:H1* 1:C_10B:H4* 2.600 3.500 100.00 100.00" 171 1 171 65 parsed_1oo7 1
159 "1:G_9:H8 1:C_10:H5 3.000 4.500 100.00 100.00" 173 1 173 65 parsed_1oo7 1
160 "1:C_2B:H6 1:PR_3B:H91 2.400 3.500 100.00 100.00" 174 1 174 64 parsed_1oo7 1
161 "1:T_3B:H6 1:PR_4B:H91 2.300 3.000 100.00 100.00" 175 1 175 64 parsed_1oo7 1
162 "1:T_4B:H6 1:PR_5B:H91 2.500 3.100 100.00 100.00" 176 1 176 64 parsed_1oo7 1
163 "1:C_5B:H6 1:PR_6B:H91 2.500 3.500 100.00 100.00" 177 1 177 64 parsed_1oo7 1
164 "1:T_6B:H6 1:PR_7B:H91 2.800 3.800 100.00 100.00" 178 1 178 64 parsed_1oo7 1
165 "1:C_7B:H6 1:PR_8B:H91 2.500 3.500 100.00 100.00" 179 1 179 64 parsed_1oo7 1
166 "1:T_8B:H6 1:PR_9B:H91 2.300 3.300 100.00 100.00" 180 1 180 64 parsed_1oo7 1
167 "1:T_9B:H6 1:C_10B:H5 3.000 4.500 100.00 100.00" 181 1 181 64 parsed_1oo7 1
168 "1:G_1B:H8 1:C_2B:H6 4.000 5.000 100.00 100.00" 182 1 182 64 parsed_1oo7 1
169 "1:C_2B:H6 1:T_3B:H6 4.000 5.000 100.00 100.00" 183 1 183 63 parsed_1oo7 1
170 "1:T_3B:H6 1:T_4B:H6 4.000 5.000 100.00 100.00" 184 1 184 63 parsed_1oo7 1
171 "1:T_4B:H6 1:C_5B:H6 4.000 5.000 100.00 100.00" 185 1 185 63 parsed_1oo7 1
172 "1:C_5B:H6 1:T_6B:H6 4.000 5.000 100.00 100.00" 186 1 186 63 parsed_1oo7 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1oo7
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "1:G_1B:O6 1:C_10:N4 2.700 3.000 100.00 100.00" 2 1 2 65 parsed_1oo7 2
2 "1:G_1B:O6 1:C_10:N3 2.700 3.000 100.00 100.00" 3 1 3 65 parsed_1oo7 2
3 "1:G_1B:N2 1:C_10:O2 2.700 3.000 100.00 100.00" 4 1 4 65 parsed_1oo7 2
4 "1:C_2B:O2 1:G_9:N2 2.700 3.000 100.00 100.00" 5 1 5 64 parsed_1oo7 2
5 "1:C_2B:N3 1:G_9:N1 2.700 3.000 100.00 100.00" 6 1 6 64 parsed_1oo7 2
6 "1:C_2B:N4 1:G_9:O6 2.700 3.000 100.00 100.00" 7 1 7 64 parsed_1oo7 2
7 "1:T_3B:O4 1:A_8:N6 2.700 3.000 100.00 100.00" 8 1 8 64 parsed_1oo7 2
8 "1:T_3B:N3 1:A_8:N1 2.700 3.000 100.00 100.00" 9 1 9 64 parsed_1oo7 2
9 "1:T_4B:O4 1:A_7:N6 2.700 3.000 100.00 100.00" 10 1 10 64 parsed_1oo7 2
10 "1:T_4B:N3 1:A_7:N1 2.700 3.000 100.00 100.00" 11 1 11 64 parsed_1oo7 2
11 "1:C_5B:N4 1:G_6:O6 2.700 3.000 100.00 100.00" 12 1 12 64 parsed_1oo7 2
12 "1:C_5B:N3 1:G_6:N1 2.700 3.000 100.00 100.00" 13 1 13 64 parsed_1oo7 2
13 "1:C_5B:O2 1:G_6:N2 2.700 3.000 100.00 100.00" 14 1 14 64 parsed_1oo7 2
14 "1:T_6B:O4 1:A_5:N6 2.700 3.000 100.00 100.00" 15 1 15 64 parsed_1oo7 2
15 "1:T_6B:N3 1:A_5:N1 2.700 3.000 100.00 100.00" 16 1 16 64 parsed_1oo7 2
16 "1:C_7B:N4 1:G_4:O6 2.700 3.000 100.00 100.00" 17 1 17 64 parsed_1oo7 2
17 "1:C_7B:N3 1:G_4:N1 2.700 3.000 100.00 100.00" 18 1 18 64 parsed_1oo7 2
18 "1:C_7B:O2 1:G_4:N2 2.700 3.000 100.00 100.00" 19 1 19 64 parsed_1oo7 2
19 "1:T_8B:O4 1:A_3:N6 2.700 3.000 100.00 100.00" 20 1 20 64 parsed_1oo7 2
20 "1:T_8B:N3 1:A_3:N1 2.700 3.000 100.00 100.00" 21 1 21 64 parsed_1oo7 2
21 "1:T_9B:O4 1:A_2:N6 2.700 3.000 100.00 100.00" 22 1 22 64 parsed_1oo7 2
22 "1:T_9B:N3 1:A_2:N1 2.700 3.000 100.00 100.00" 23 1 23 64 parsed_1oo7 2
23 "1:C_10B:N4 1:G_1:O6 2.700 3.000 100.00 100.00" 24 1 24 65 parsed_1oo7 2
24 "1:C_10B:N3 1:G_1:N1 2.700 3.000 100.00 100.00" 25 1 25 65 parsed_1oo7 2
stop_
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1oo7
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "1:G_1:H1* 1:G_1:H2*1 1.500 2.800 100.00 100.00" 2 1 2 65 parsed_1oo7 3
2 "1:A_2:H1* 1:A_2:H2*1 1.500 2.800 100.00 100.00" 3 1 3 65 parsed_1oo7 3
3 "1:A_3:H1* 1:A_3:H2*1 1.500 2.800 100.00 100.00" 4 1 4 65 parsed_1oo7 3
4 "1:G_4:H1* 1:G_4:H2*1 1.500 2.800 100.00 100.00" 5 1 5 65 parsed_1oo7 3
5 "1:A_5:H1* 1:A_5:H2*1 1.500 2.800 100.00 100.00" 6 1 6 65 parsed_1oo7 3
6 "1:G_6:H1* 1:G_6:H2*1 1.500 2.800 100.00 100.00" 7 1 7 65 parsed_1oo7 3
7 "1:A_7:H1* 1:A_7:H2*1 1.500 2.800 100.00 100.00" 8 1 8 65 parsed_1oo7 3
8 "1:A_8:H1* 1:A_8:H2*1 1.500 2.800 100.00 100.00" 9 1 9 65 parsed_1oo7 3
9 "1:G_9:H1* 1:G_9:H2*1 1.500 2.800 100.00 100.00" 10 1 10 65 parsed_1oo7 3
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1oo7
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
NMR_dihedral
GAMMA
;
1 1 3 6 parsed_1oo7 1
2 DELTA 24 1 25 6 parsed_1oo7 1
3 CHI 46 1 47 4 parsed_1oo7 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "1:G_1B:O5* 1:G_1B:C5* 1:G_1B:C4* 1:G_1B:C3* 50.000 70.000 100.00 100.00" 4 1 4 107 parsed_1oo7 1
2 "1:C_2B:O5* 1:C_2B:C5* 1:C_2B:C4* 1:C_2B:C3* 50.000 70.000 100.00 100.00" 5 1 5 103 parsed_1oo7 1
3 "1:T_3B:O5* 1:T_3B:C5* 1:T_3B:C4* 1:T_3B:C3* 50.000 70.000 100.00 100.00" 6 1 6 103 parsed_1oo7 1
4 "1:T_4B:O5* 1:T_4B:C5* 1:T_4B:C4* 1:T_4B:C3* 50.000 70.000 100.00 100.00" 7 1 7 103 parsed_1oo7 1
5 "1:C_5B:O5* 1:C_5B:C5* 1:C_5B:C4* 1:C_5B:C3* 50.000 70.000 100.00 100.00" 8 1 8 103 parsed_1oo7 1
6 "1:T_6B:O5* 1:T_6B:C5* 1:T_6B:C4* 1:T_6B:C3* 50.000 70.000 100.00 100.00" 9 1 9 103 parsed_1oo7 1
7 "1:C_7B:O5* 1:C_7B:C5* 1:C_7B:C4* 1:C_7B:C3* 50.000 70.000 100.00 100.00" 10 1 10 103 parsed_1oo7 1
8 "1:T_8B:O5* 1:T_8B:C5* 1:T_8B:C4* 1:T_8B:C3* 50.000 70.000 100.00 100.00" 11 1 11 103 parsed_1oo7 1
9 "1:T_9B:O5* 1:T_9B:C5* 1:T_9B:C4* 1:T_9B:C3* 50.000 70.000 100.00 100.00" 12 1 12 103 parsed_1oo7 1
10 "1:C_10B:O5* 1:C_10B:C5* 1:C_10B:C4* 1:C_10B:C3* 50.000 70.000 100.00 100.00" 13 1 13 107 parsed_1oo7 1
11 "1:G_1:O5* 1:G_1:C5* 1:G_1:C4* 1:G_1:C3* 50.000 70.000 100.00 100.00" 14 1 14 107 parsed_1oo7 1
12 "1:A_2:O5* 1:A_2:C5* 1:A_2:C4* 1:A_2:C3* 50.000 70.000 100.00 100.00" 15 1 15 107 parsed_1oo7 1
13 "1:A_3:O5* 1:A_3:C5* 1:A_3:C4* 1:A_3:C3* 50.000 70.000 100.00 100.00" 16 1 16 107 parsed_1oo7 1
14 "1:G_4:O5* 1:G_4:C5* 1:G_4:C4* 1:G_4:C3* 50.000 70.000 100.00 100.00" 17 1 17 107 parsed_1oo7 1
15 "1:A_5:O5* 1:A_5:C5* 1:A_5:C4* 1:A_5:C3* 50.000 70.000 100.00 100.00" 18 1 18 107 parsed_1oo7 1
16 "1:G_6:O5* 1:G_6:C5* 1:G_6:C4* 1:G_6:C3* 50.000 70.000 100.00 100.00" 19 1 19 107 parsed_1oo7 1
17 "1:A_7:O5* 1:A_7:C5* 1:A_7:C4* 1:A_7:C3* 50.000 70.000 100.00 100.00" 20 1 20 107 parsed_1oo7 1
18 "1:A_8:O5* 1:A_8:C5* 1:A_8:C4* 1:A_8:C3* 50.000 70.000 100.00 100.00" 21 1 21 107 parsed_1oo7 1
19 "1:G_9:O5* 1:G_9:C5* 1:G_9:C4* 1:G_9:C3* 50.000 70.000 100.00 100.00" 22 1 22 107 parsed_1oo7 1
20 "1:C_10:O5* 1:C_10:C5* 1:C_10:C4* 1:C_10:C3* 50.000 70.000 100.00 100.00" 23 1 23 107 parsed_1oo7 1
21 "1:G_1B:C5* 1:G_1B:C4* 1:G_1B:C3* 1:G_1B:O3* 120.000 150.000 100.00 100.00" 26 1 26 107 parsed_1oo7 1
22 "1:C_2B:C5* 1:C_2B:C4* 1:C_2B:C3* 1:C_2B:O3* 120.000 150.000 100.00 100.00" 27 1 27 103 parsed_1oo7 1
23 "1:T_3B:C5* 1:T_3B:C4* 1:T_3B:C3* 1:T_3B:O3* 120.000 150.000 100.00 100.00" 28 1 28 103 parsed_1oo7 1
24 "1:T_4B:C5* 1:T_4B:C4* 1:T_4B:C3* 1:T_4B:O3* 120.000 150.000 100.00 100.00" 29 1 29 103 parsed_1oo7 1
25 "1:C_5B:C5* 1:C_5B:C4* 1:C_5B:C3* 1:C_5B:O3* 120.000 150.000 100.00 100.00" 30 1 30 103 parsed_1oo7 1
26 "1:T_6B:C5* 1:T_6B:C4* 1:T_6B:C3* 1:T_6B:O3* 120.000 150.000 100.00 100.00" 31 1 31 103 parsed_1oo7 1
27 "1:C_7B:C5* 1:C_7B:C4* 1:C_7B:C3* 1:C_7B:O3* 120.000 150.000 100.00 100.00" 32 1 32 103 parsed_1oo7 1
28 "1:T_8B:C5* 1:T_8B:C4* 1:T_8B:C3* 1:T_8B:O3* 120.000 150.000 100.00 100.00" 33 1 33 103 parsed_1oo7 1
29 "1:T_9B:C5* 1:T_9B:C4* 1:T_9B:C3* 1:T_9B:O3* 120.000 150.000 100.00 100.00" 34 1 34 103 parsed_1oo7 1
30 "1:C_10B:C5* 1:C_10B:C4* 1:C_10B:C3* 1:C_10B:O3* 120.000 150.000 100.00 100.00" 35 1 35 107 parsed_1oo7 1
31 "1:G_1:C5* 1:G_1:C4* 1:G_1:C3* 1:G_1:O3* 75.000 85.000 100.00 100.00" 36 1 36 107 parsed_1oo7 1
32 "1:A_2:C5* 1:A_2:C4* 1:A_2:C3* 1:A_2:O3* 75.000 85.000 100.00 100.00" 37 1 37 107 parsed_1oo7 1
33 "1:A_3:C5* 1:A_3:C4* 1:A_3:C3* 1:A_3:O3* 75.000 85.000 100.00 100.00" 38 1 38 107 parsed_1oo7 1
34 "1:G_4:C5* 1:G_4:C4* 1:G_4:C3* 1:G_4:O3* 75.000 85.000 100.00 100.00" 39 1 39 107 parsed_1oo7 1
35 "1:A_5:C5* 1:A_5:C4* 1:A_5:C3* 1:A_5:O3* 75.000 85.000 100.00 100.00" 40 1 40 107 parsed_1oo7 1
36 "1:G_6:C5* 1:G_6:C4* 1:G_6:C3* 1:G_6:O3* 75.000 85.000 100.00 100.00" 41 1 41 107 parsed_1oo7 1
37 "1:A_7:C5* 1:A_7:C4* 1:A_7:C3* 1:A_7:O3* 75.000 85.000 100.00 100.00" 42 1 42 107 parsed_1oo7 1
38 "1:A_8:C5* 1:A_8:C4* 1:A_8:C3* 1:A_8:O3* 75.000 85.000 100.00 100.00" 43 1 43 107 parsed_1oo7 1
39 "1:G_9:C5* 1:G_9:C4* 1:G_9:C3* 1:G_9:O3* 75.000 85.000 100.00 100.00" 44 1 44 107 parsed_1oo7 1
40 "1:C_10:C5* 1:C_10:C4* 1:C_10:C3* 1:C_10:O3* 75.000 85.000 100.00 100.00" 45 1 45 107 parsed_1oo7 1
41 "1:G_1B:O4* 1:G_1B:C1* 1:G_1B:N9 1:G_1B:C4 -140.000 -100.000 100.00 100.00" 48 1 48 107 parsed_1oo7 1
42 "1:C_2B:O4* 1:C_2B:C1* 1:C_2B:N1 1:C_2B:C2 -125.000 -110.000 100.00 100.00" 49 1 49 103 parsed_1oo7 1
43 "1:T_3B:O4* 1:T_3B:C1* 1:T_3B:N1 1:T_3B:C2 -120.000 -105.000 100.00 100.00" 50 1 50 103 parsed_1oo7 1
44 "1:T_4B:O4* 1:T_4B:C1* 1:T_4B:N1 1:T_4B:C2 -135.000 -115.000 100.00 100.00" 51 1 51 103 parsed_1oo7 1
45 "1:C_5B:O4* 1:C_5B:C1* 1:C_5B:N1 1:C_5B:C2 -140.000 -100.000 100.00 100.00" 52 1 52 103 parsed_1oo7 1
46 "1:T_6B:O4* 1:T_6B:C1* 1:T_6B:N1 1:T_6B:C2 -150.000 -120.000 100.00 100.00" 53 1 53 103 parsed_1oo7 1
47 "1:C_7B:O4* 1:C_7B:C1* 1:C_7B:N1 1:C_7B:C2 -150.000 -120.000 100.00 100.00" 54 1 54 103 parsed_1oo7 1
48 "1:T_8B:O4* 1:T_8B:C1* 1:T_8B:N1 1:T_8B:C2 -135.000 -105.000 100.00 100.00" 55 1 55 103 parsed_1oo7 1
49 "1:T_9B:O4* 1:T_9B:C1* 1:T_9B:N1 1:T_9B:C2 -130.000 -105.000 100.00 100.00" 56 1 56 103 parsed_1oo7 1
50 "1:C_10B:O4* 1:C_10B:C1* 1:C_10B:N1 1:C_10B:C2 -140.000 -110.000 100.00 100.00" 57 1 57 107 parsed_1oo7 1
51 "1:G_1:O4* 1:G_1:C1* 1:G_1:N9 1:G_1:C4 -180.000 -150.000 100.00 100.00" 58 1 58 107 parsed_1oo7 1
52 "1:A_2:O4* 1:A_2:C1* 1:A_2:N9 1:A_2:C4 -180.000 -150.000 100.00 100.00" 59 1 59 107 parsed_1oo7 1
53 "1:A_3:O4* 1:A_3:C1* 1:A_3:N9 1:A_3:C4 -180.000 -150.000 100.00 100.00" 60 1 60 107 parsed_1oo7 1
54 "1:G_4:O4* 1:G_4:C1* 1:G_4:N9 1:G_4:C4 -180.000 -150.000 100.00 100.00" 61 1 61 107 parsed_1oo7 1
55 "1:A_5:O4* 1:A_5:C1* 1:A_5:N9 1:A_5:C4 -180.000 -150.000 100.00 100.00" 62 1 62 107 parsed_1oo7 1
56 "1:G_6:O4* 1:G_6:C1* 1:G_6:N9 1:G_6:C4 -180.000 -150.000 100.00 100.00" 63 1 63 107 parsed_1oo7 1
57 "1:A_7:O4* 1:A_7:C1* 1:A_7:N9 1:A_7:C4 -180.000 -150.000 100.00 100.00" 64 1 64 107 parsed_1oo7 1
58 "1:A_8:O4* 1:A_8:C1* 1:A_8:N9 1:A_8:C4 -180.000 -150.000 100.00 100.00" 65 1 65 107 parsed_1oo7 1
59 "1:G_9:O4* 1:G_9:C1* 1:G_9:N9 1:G_9:C4 -180.000 -150.000 100.00 100.00" 66 1 66 107 parsed_1oo7 1
stop_
save_
save_Discover_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1oo7
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
restraints2:
distance
;
1 1 4 9 parsed_1oo7 4
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "1:G_1:H1* 1:G_1:H8 3.600 3.900 100.00 100.00" 5 1 5 65 parsed_1oo7 4
2 "1:G_1:H1* 1:A_2:H8 3.500 4.800 100.00 100.00" 6 1 6 65 parsed_1oo7 4
3 "1:G_1:H2*1 1:G_1:H8 3.000 4.500 100.00 100.00" 7 1 7 65 parsed_1oo7 4
4 "1:G_1:H2*1 1:A_2:H8 2.000 3.000 100.00 100.00" 8 1 8 65 parsed_1oo7 4
5 "1:G_1:H3* 1:G_1:H8 3.000 4.000 100.00 100.00" 9 1 9 65 parsed_1oo7 4
6 "1:G_1:H4* 1:G_1:H8 3.000 5.000 100.00 100.00" 10 1 10 65 parsed_1oo7 4
7 "1:G_1:H1* 1:G_1:H4* 3.000 4.000 100.00 100.00" 11 1 11 65 parsed_1oo7 4
8 "1:G_1:H8 1:A_2:H8 4.000 6.000 100.00 100.00" 12 1 12 65 parsed_1oo7 4
9 "1:G_1:H1* 1:G_1:H2*1 1.500 2.800 100.00 100.00" 13 1 13 65 parsed_1oo7 4
10 "1:A_2:H1* 1:A_2:H8 3.500 4.200 100.00 100.00" 15 1 15 65 parsed_1oo7 4
11 "1:A_2:H1* 1:A_3:H8 3.500 4.800 100.00 100.00" 16 1 16 65 parsed_1oo7 4
12 "1:A_2:H2*1 1:A_2:H8 3.000 4.500 100.00 100.00" 17 1 17 65 parsed_1oo7 4
13 "1:A_2:H2*1 1:A_3:H8 2.000 3.000 100.00 100.00" 18 1 18 65 parsed_1oo7 4
14 "1:A_2:H1* 1:A_2:H4* 3.000 4.000 100.00 100.00" 19 1 19 65 parsed_1oo7 4
15 "1:A_2:H8 1:A_3:H8 4.000 6.000 100.00 100.00" 20 1 20 65 parsed_1oo7 4
16 "1:A_2:H2 1:A_3:H1* 3.000 4.000 100.00 100.00" 21 1 21 65 parsed_1oo7 4
17 "1:A_2:H1* 1:A_2:H2*1 1.500 2.800 100.00 100.00" 22 1 22 65 parsed_1oo7 4
18 "1:A_3:H1* 1:A_3:H8 3.500 4.200 100.00 100.00" 24 1 24 65 parsed_1oo7 4
19 "1:A_3:H1* 1:G_4:H8 3.500 4.800 100.00 100.00" 25 1 25 65 parsed_1oo7 4
20 "1:A_3:H2*1 1:A_3:H8 3.000 4.500 100.00 100.00" 26 1 26 65 parsed_1oo7 4
21 "1:A_3:H2*1 1:G_4:H8 2.000 3.000 100.00 100.00" 27 1 27 65 parsed_1oo7 4
22 "1:A_3:H3* 1:G_4:H8 2.500 5.000 100.00 100.00" 28 1 28 65 parsed_1oo7 4
23 "1:A_3:H1* 1:A_3:H4* 3.000 4.000 100.00 100.00" 29 1 29 65 parsed_1oo7 4
24 "1:A_3:H8 1:G_4:H8 4.000 6.000 100.00 100.00" 30 1 30 65 parsed_1oo7 4
25 "1:A_3:H2 1:G_4:H1* 2.500 4.000 100.00 100.00" 31 1 31 65 parsed_1oo7 4
26 "1:A_3:H1* 1:A_3:H2*1 1.500 2.800 100.00 100.00" 32 1 32 65 parsed_1oo7 4
27 "1:G_4:H1* 1:G_4:H8 3.500 4.200 100.00 100.00" 34 1 34 65 parsed_1oo7 4
28 "1:G_4:H1* 1:A_5:H8 3.500 4.800 100.00 100.00" 35 1 35 65 parsed_1oo7 4
29 "1:G_4:H2*1 1:G_4:H8 3.000 5.000 100.00 100.00" 36 1 36 65 parsed_1oo7 4
30 "1:G_4:H2*1 1:A_5:H8 2.000 4.000 100.00 100.00" 37 1 37 65 parsed_1oo7 4
31 "1:G_4:H3* 1:G_4:H8 2.500 3.500 100.00 100.00" 38 1 38 65 parsed_1oo7 4
32 "1:G_4:H3* 1:A_5:H8 2.500 4.000 100.00 100.00" 39 1 39 65 parsed_1oo7 4
33 "1:G_4:H1* 1:G_4:H4* 3.000 4.000 100.00 100.00" 40 1 40 65 parsed_1oo7 4
34 "1:G_4:H8 1:A_5:H8 4.000 6.000 100.00 100.00" 41 1 41 65 parsed_1oo7 4
35 "1:G_4:H1* 1:G_4:H2*1 1.500 2.800 100.00 100.00" 42 1 42 65 parsed_1oo7 4
36 "1:A_5:H1* 1:A_5:H8 3.500 4.200 100.00 100.00" 44 1 44 65 parsed_1oo7 4
37 "1:A_5:H1* 1:G_6:H8 3.500 4.800 100.00 100.00" 45 1 45 65 parsed_1oo7 4
38 "1:A_5:H2*1 1:A_5:H8 2.000 5.000 100.00 100.00" 46 1 46 65 parsed_1oo7 4
39 "1:A_5:H2*1 1:G_6:H8 2.500 3.500 100.00 100.00" 47 1 47 65 parsed_1oo7 4
40 "1:A_5:H3* 1:G_6:H8 2.500 4.000 100.00 100.00" 48 1 48 65 parsed_1oo7 4
41 "1:A_5:H1* 1:A_5:H4* 3.000 4.000 100.00 100.00" 49 1 49 65 parsed_1oo7 4
42 "1:A_5:H8 1:G_6:H8 4.000 6.000 100.00 100.00" 50 1 50 65 parsed_1oo7 4
43 "1:A_5:H2 1:G_6:H1* 2.400 4.000 100.00 100.00" 51 1 51 65 parsed_1oo7 4
44 "1:A_5:H1* 1:A_5:H2*1 1.500 2.800 100.00 100.00" 52 1 52 65 parsed_1oo7 4
45 "1:G_6:H1* 1:G_6:H8 3.500 4.200 100.00 100.00" 54 1 54 65 parsed_1oo7 4
46 "1:G_6:H1* 1:A_7:H8 3.500 4.800 100.00 100.00" 55 1 55 65 parsed_1oo7 4
47 "1:G_6:H2*1 1:G_6:H8 3.000 4.500 100.00 100.00" 56 1 56 65 parsed_1oo7 4
48 "1:G_6:H2*1 1:A_7:H8 2.000 3.000 100.00 100.00" 57 1 57 65 parsed_1oo7 4
49 "1:G_6:H3* 1:G_6:H8 2.000 3.000 100.00 100.00" 58 1 58 65 parsed_1oo7 4
50 "1:G_6:H3* 1:A_7:H8 2.500 4.000 100.00 100.00" 59 1 59 65 parsed_1oo7 4
51 "1:G_6:H4* 1:G_6:H8 3.000 5.000 100.00 100.00" 60 1 60 65 parsed_1oo7 4
52 "1:G_6:H1* 1:G_6:H4* 3.000 4.000 100.00 100.00" 61 1 61 65 parsed_1oo7 4
53 "1:G_6:H8 1:A_7:H8 4.000 6.000 100.00 100.00" 62 1 62 65 parsed_1oo7 4
54 "1:G_6:H1* 1:G_6:H2*1 1.500 2.800 100.00 100.00" 63 1 63 65 parsed_1oo7 4
55 "1:A_7:H1* 1:A_7:H8 3.500 4.200 100.00 100.00" 65 1 65 65 parsed_1oo7 4
56 "1:A_7:H1* 1:A_8:H8 3.500 4.800 100.00 100.00" 66 1 66 65 parsed_1oo7 4
57 "1:A_7:H2*1 1:A_7:H8 2.000 5.000 100.00 100.00" 67 1 67 65 parsed_1oo7 4
58 "1:A_7:H2*1 1:A_8:H8 2.000 3.000 100.00 100.00" 68 1 68 65 parsed_1oo7 4
59 "1:A_7:H1* 1:A_7:H4* 3.000 4.000 100.00 100.00" 69 1 69 65 parsed_1oo7 4
60 "1:A_7:H8 1:A_8:H8 4.000 6.000 100.00 100.00" 70 1 70 65 parsed_1oo7 4
61 "1:A_7:H2 1:A_8:H1* 2.000 4.000 100.00 100.00" 71 1 71 65 parsed_1oo7 4
62 "1:A_7:H1* 1:A_7:H2*1 1.500 2.800 100.00 100.00" 72 1 72 65 parsed_1oo7 4
63 "1:A_8:H1* 1:A_8:H8 3.500 4.200 100.00 100.00" 74 1 74 65 parsed_1oo7 4
64 "1:A_8:H1* 1:G_9:H8 2.000 5.200 100.00 100.00" 75 1 75 65 parsed_1oo7 4
65 "1:A_8:H2*1 1:A_8:H8 3.000 4.500 100.00 100.00" 76 1 76 65 parsed_1oo7 4
66 "1:A_8:H2*1 1:G_9:H8 2.000 2.700 100.00 100.00" 77 1 77 65 parsed_1oo7 4
67 "1:A_8:H1* 1:A_8:H4* 3.000 4.000 100.00 100.00" 78 1 78 65 parsed_1oo7 4
68 "1:A_8:H8 1:G_9:H8 4.000 6.000 100.00 100.00" 79 1 79 65 parsed_1oo7 4
69 "1:A_8:H2 1:G_9:H1* 2.000 4.000 100.00 100.00" 80 1 80 65 parsed_1oo7 4
70 "1:A_8:H1* 1:A_8:H2*1 1.500 2.800 100.00 100.00" 81 1 81 65 parsed_1oo7 4
71 "1:G_9:H1* 1:G_9:H8 3.500 4.200 100.00 100.00" 83 1 83 65 parsed_1oo7 4
72 "1:G_9:H1* 1:C_10:H6 3.500 4.500 100.00 100.00" 84 1 84 65 parsed_1oo7 4
73 "1:G_9:H2*1 1:G_9:H8 3.000 4.000 100.00 100.00" 85 1 85 65 parsed_1oo7 4
74 "1:G_9:H2*1 1:C_10:H6 2.000 2.500 100.00 100.00" 86 1 86 65 parsed_1oo7 4
75 "1:G_9:H3* 1:C_10:H6 2.500 4.000 100.00 100.00" 87 1 87 65 parsed_1oo7 4
76 "1:G_9:H1* 1:G_9:H4* 3.000 4.000 100.00 100.00" 88 1 88 65 parsed_1oo7 4
77 "1:G_9:H8 1:C_10:H6 4.000 6.000 100.00 100.00" 89 1 89 65 parsed_1oo7 4
78 "1:G_9:H8 1:C_10:H5 3.000 4.500 100.00 100.00" 90 1 90 65 parsed_1oo7 4
79 "1:G_9:H1* 1:G_9:H2*1 1.500 2.800 100.00 100.00" 91 1 91 65 parsed_1oo7 4
80 "1:C_10:H1* 1:C_10:H6 3.500 4.200 100.00 100.00" 93 1 93 65 parsed_1oo7 4
81 "1:C_10:H2*1 1:C_10:H6 2.500 4.000 100.00 100.00" 94 1 94 65 parsed_1oo7 4
82 "1:C_10:H3* 1:C_10:H6 2.000 3.000 100.00 100.00" 95 1 95 65 parsed_1oo7 4
83 "1:C_10:H4* 1:C_10:H6 3.000 5.000 100.00 100.00" 96 1 96 65 parsed_1oo7 4
84 "1:C_10:H1* 1:C_10:H4* 3.000 4.000 100.00 100.00" 97 1 97 65 parsed_1oo7 4
stop_
save_
save_Discover_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1oo7
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "1:G_1B:H1* 1:G_1B:H8 3.500 4.000 100.00 100.00" 2 1 2 65 parsed_1oo7 5
2 "1:G_1B:H1* 1:C_2B:H6 3.500 5.000 100.00 100.00" 3 1 3 64 parsed_1oo7 5
3 "1:G_1B:H2*2 1:G_1B:H8 2.500 5.000 100.00 100.00" 4 1 4 65 parsed_1oo7 5
4 "1:G_1B:H2*1 1:G_1B:H8 2.500 4.000 100.00 100.00" 5 1 5 65 parsed_1oo7 5
5 "1:G_1B:H2*2 1:C_2B:H6 2.300 3.500 100.00 100.00" 6 1 6 64 parsed_1oo7 5
6 "1:G_1B:H2*1 1:C_2B:H6 2.000 3.000 100.00 100.00" 7 1 7 64 parsed_1oo7 5
7 "1:G_1B:H3* 1:G_1B:H8 3.000 4.200 100.00 100.00" 8 1 8 65 parsed_1oo7 5
8 "1:G_1B:H4* 1:G_1B:H8 3.000 5.000 100.00 100.00" 9 1 9 65 parsed_1oo7 5
9 "1:G_1B:H1* 1:G_1B:H4* 3.000 4.000 100.00 100.00" 10 1 10 65 parsed_1oo7 5
10 "1:G_1B:H8 1:C_2B:H6 4.000 5.000 100.00 100.00" 11 1 11 64 parsed_1oo7 5
11 "1:G_1B:O6 1:C_10:N4 2.700 3.000 100.00 100.00" 12 1 12 65 parsed_1oo7 5
12 "1:G_1B:O6 1:C_10:N3 2.700 3.000 100.00 100.00" 13 1 13 65 parsed_1oo7 5
13 "1:G_1B:N2 1:C_10:O2 2.700 3.000 100.00 100.00" 14 1 14 65 parsed_1oo7 5
14 "1:C_2B:H2*2 1:C_2B:H6 2.000 2.700 100.00 100.00" 16 1 16 63 parsed_1oo7 5
15 "1:C_2B:H2*1 1:C_2B:H6 2.000 5.000 100.00 100.00" 17 1 17 63 parsed_1oo7 5
16 "1:C_2B:H2*2 1:T_3B:H6 2.000 3.500 100.00 100.00" 18 1 18 63 parsed_1oo7 5
17 "1:C_2B:H2*1 1:T_3B:H6 2.400 3.500 100.00 100.00" 19 1 19 63 parsed_1oo7 5
18 "1:C_2B:H3* 1:C_2B:H6 2.500 4.000 100.00 100.00" 20 1 20 63 parsed_1oo7 5
19 "1:C_2B:H4* 1:C_2B:H6 3.000 5.000 100.00 100.00" 21 1 21 63 parsed_1oo7 5
20 "1:C_2B:H1* 1:C_2B:H4* 3.000 4.000 100.00 100.00" 22 1 22 63 parsed_1oo7 5
21 "1:C_2B:H6 1:PR_3B:H91 2.400 3.500 100.00 100.00" 23 1 23 64 parsed_1oo7 5
22 "1:C_2B:H6 1:T_3B:H6 4.000 5.000 100.00 100.00" 24 1 24 63 parsed_1oo7 5
23 "1:C_2B:O2 1:G_9:N2 2.700 3.000 100.00 100.00" 25 1 25 64 parsed_1oo7 5
24 "1:C_2B:N3 1:G_9:N1 2.700 3.000 100.00 100.00" 26 1 26 64 parsed_1oo7 5
25 "1:C_2B:N4 1:G_9:O6 2.700 3.000 100.00 100.00" 27 1 27 64 parsed_1oo7 5
26 "1:T_3B:H1* 1:T_3B:H6 3.500 4.000 100.00 100.00" 29 1 29 63 parsed_1oo7 5
27 "1:T_3B:H1* 1:T_4B:H6 3.500 5.000 100.00 100.00" 30 1 30 63 parsed_1oo7 5
28 "1:T_3B:H2*2 1:T_3B:H6 2.000 2.700 100.00 100.00" 31 1 31 63 parsed_1oo7 5
29 "1:T_3B:H2*1 1:T_3B:H6 2.500 4.000 100.00 100.00" 32 1 32 63 parsed_1oo7 5
30 "1:T_3B:H2*2 1:T_4B:H6 2.000 3.500 100.00 100.00" 33 1 33 63 parsed_1oo7 5
31 "1:T_3B:H2*1 1:T_4B:H6 2.500 3.500 100.00 100.00" 34 1 34 63 parsed_1oo7 5
32 "1:T_3B:H3* 1:T_3B:H6 3.000 4.200 100.00 100.00" 35 1 35 63 parsed_1oo7 5
33 "1:T_3B:H4* 1:T_3B:H6 3.000 5.000 100.00 100.00" 36 1 36 63 parsed_1oo7 5
34 "1:T_3B:H1* 1:T_3B:H4* 3.000 4.000 100.00 100.00" 37 1 37 63 parsed_1oo7 5
35 "1:T_3B:H6 1:PR_4B:H91 2.300 3.000 100.00 100.00" 38 1 38 64 parsed_1oo7 5
36 "1:T_3B:H6 1:T_4B:H6 4.000 5.000 100.00 100.00" 39 1 39 63 parsed_1oo7 5
37 "1:T_3B:O4 1:A_8:N6 2.700 3.000 100.00 100.00" 40 1 40 64 parsed_1oo7 5
38 "1:T_3B:N3 1:A_8:N1 2.700 3.000 100.00 100.00" 41 1 41 64 parsed_1oo7 5
39 "1:T_4B:H1* 1:T_4B:H6 3.500 4.000 100.00 100.00" 43 1 43 63 parsed_1oo7 5
40 "1:T_4B:H2*2 1:T_4B:H6 2.000 2.700 100.00 100.00" 44 1 44 63 parsed_1oo7 5
41 "1:T_4B:H2*1 1:T_4B:H6 2.500 4.000 100.00 100.00" 45 1 45 63 parsed_1oo7 5
42 "1:T_4B:H2*2 1:C_5B:H6 2.300 3.500 100.00 100.00" 46 1 46 63 parsed_1oo7 5
43 "1:T_4B:H2*1 1:C_5B:H6 2.000 3.000 100.00 100.00" 47 1 47 63 parsed_1oo7 5
44 "1:T_4B:H3* 1:T_4B:H6 3.000 4.200 100.00 100.00" 48 1 48 63 parsed_1oo7 5
45 "1:T_4B:H3* 1:C_5B:H6 4.000 6.000 100.00 100.00" 49 1 49 63 parsed_1oo7 5
46 "1:T_4B:H4* 1:T_4B:H6 3.000 5.000 100.00 100.00" 50 1 50 63 parsed_1oo7 5
47 "1:T_4B:H1* 1:T_4B:H4* 3.000 4.000 100.00 100.00" 51 1 51 63 parsed_1oo7 5
48 "1:T_4B:H6 1:PR_5B:H91 2.500 3.100 100.00 100.00" 52 1 52 64 parsed_1oo7 5
49 "1:T_4B:H6 1:C_5B:H6 4.000 5.000 100.00 100.00" 53 1 53 63 parsed_1oo7 5
50 "1:T_4B:O4 1:A_7:N6 2.700 3.000 100.00 100.00" 54 1 54 64 parsed_1oo7 5
51 "1:T_4B:N3 1:A_7:N1 2.700 3.000 100.00 100.00" 55 1 55 64 parsed_1oo7 5
52 "1:C_5B:H1* 1:C_5B:H6 3.500 4.000 100.00 100.00" 57 1 57 63 parsed_1oo7 5
53 "1:C_5B:H1* 1:T_6B:H6 3.400 5.000 100.00 100.00" 58 1 58 63 parsed_1oo7 5
54 "1:C_5B:H2*1 1:C_5B:H6 2.600 4.000 100.00 100.00" 59 1 59 63 parsed_1oo7 5
55 "1:C_5B:H2*2 1:T_6B:H6 2.000 3.500 100.00 100.00" 60 1 60 63 parsed_1oo7 5
56 "1:C_5B:H2*1 1:T_6B:H6 2.400 3.500 100.00 100.00" 61 1 61 63 parsed_1oo7 5
57 "1:C_5B:H3* 1:C_5B:H6 3.000 5.000 100.00 100.00" 62 1 62 63 parsed_1oo7 5
58 "1:C_5B:H3* 1:T_6B:H6 4.000 6.000 100.00 100.00" 63 1 63 63 parsed_1oo7 5
59 "1:C_5B:H4* 1:C_5B:H6 3.000 5.000 100.00 100.00" 64 1 64 63 parsed_1oo7 5
60 "1:C_5B:H6 1:PR_6B:H91 2.500 3.500 100.00 100.00" 65 1 65 64 parsed_1oo7 5
61 "1:C_5B:H6 1:T_6B:H6 4.000 5.000 100.00 100.00" 66 1 66 63 parsed_1oo7 5
62 "1:C_5B:N4 1:G_6:O6 2.700 3.000 100.00 100.00" 67 1 67 64 parsed_1oo7 5
63 "1:C_5B:N3 1:G_6:N1 2.700 3.000 100.00 100.00" 68 1 68 64 parsed_1oo7 5
64 "1:C_5B:O2 1:G_6:N2 2.700 3.000 100.00 100.00" 69 1 69 64 parsed_1oo7 5
65 "1:T_6B:H1* 1:T_6B:H6 3.500 4.000 100.00 100.00" 71 1 71 63 parsed_1oo7 5
66 "1:T_6B:H1* 1:C_7B:H6 3.300 5.000 100.00 100.00" 72 1 72 63 parsed_1oo7 5
67 "1:T_6B:H2*2 1:T_6B:H6 2.300 3.200 100.00 100.00" 73 1 73 63 parsed_1oo7 5
68 "1:T_6B:H2*1 1:T_6B:H6 2.600 4.000 100.00 100.00" 74 1 74 63 parsed_1oo7 5
69 "1:T_6B:H2*2 1:C_7B:H6 2.400 3.500 100.00 100.00" 75 1 75 63 parsed_1oo7 5
70 "1:T_6B:H2*1 1:C_7B:H6 2.400 3.500 100.00 100.00" 76 1 76 63 parsed_1oo7 5
71 "1:T_6B:H3* 1:C_7B:H6 4.000 6.000 100.00 100.00" 77 1 77 63 parsed_1oo7 5
72 "1:T_6B:H4* 1:T_6B:H6 3.000 5.000 100.00 100.00" 78 1 78 63 parsed_1oo7 5
73 "1:T_6B:H1* 1:T_6B:H4* 3.000 4.000 100.00 100.00" 79 1 79 63 parsed_1oo7 5
74 "1:T_6B:H6 1:PR_7B:H91 2.800 3.800 100.00 100.00" 80 1 80 64 parsed_1oo7 5
75 "1:T_6B:H6 1:C_7B:H6 4.000 5.000 100.00 100.00" 81 1 81 63 parsed_1oo7 5
76 "1:T_6B:O4 1:A_5:N6 2.700 3.000 100.00 100.00" 82 1 82 64 parsed_1oo7 5
77 "1:T_6B:N3 1:A_5:N1 2.700 3.000 100.00 100.00" 83 1 83 64 parsed_1oo7 5
78 "1:C_7B:H1* 1:C_7B:H6 3.500 4.000 100.00 100.00" 85 1 85 63 parsed_1oo7 5
79 "1:C_7B:H1* 1:T_8B:H6 3.600 5.000 100.00 100.00" 86 1 86 63 parsed_1oo7 5
80 "1:C_7B:H2*2 1:C_7B:H6 2.400 3.000 100.00 100.00" 87 1 87 63 parsed_1oo7 5
81 "1:C_7B:H2*1 1:C_7B:H6 2.400 4.000 100.00 100.00" 88 1 88 63 parsed_1oo7 5
82 "1:C_7B:H2*2 1:T_8B:H6 2.300 3.500 100.00 100.00" 89 1 89 63 parsed_1oo7 5
83 "1:C_7B:H2*1 1:T_8B:H6 2.400 3.500 100.00 100.00" 90 1 90 63 parsed_1oo7 5
84 "1:C_7B:H3* 1:T_8B:H6 4.000 6.000 100.00 100.00" 91 1 91 63 parsed_1oo7 5
85 "1:C_7B:H4* 1:C_7B:H6 3.000 5.000 100.00 100.00" 92 1 92 63 parsed_1oo7 5
86 "1:C_7B:H6 1:PR_8B:H91 2.500 3.500 100.00 100.00" 93 1 93 64 parsed_1oo7 5
87 "1:C_7B:N4 1:G_4:O6 2.700 3.000 100.00 100.00" 94 1 94 64 parsed_1oo7 5
88 "1:C_7B:N3 1:G_4:N1 2.700 3.000 100.00 100.00" 95 1 95 64 parsed_1oo7 5
89 "1:C_7B:O2 1:G_4:N2 2.700 3.000 100.00 100.00" 96 1 96 64 parsed_1oo7 5
90 "1:T_8B:H1* 1:T_8B:H6 3.500 4.000 100.00 100.00" 98 1 98 63 parsed_1oo7 5
91 "1:T_8B:H1* 1:T_9B:H6 3.500 5.000 100.00 100.00" 99 1 99 63 parsed_1oo7 5
92 "1:T_8B:H2*2 1:T_8B:H6 2.000 2.600 100.00 100.00" 100 1 100 63 parsed_1oo7 5
93 "1:T_8B:H2*1 1:T_8B:H6 2.800 4.000 100.00 100.00" 101 1 101 63 parsed_1oo7 5
94 "1:T_8B:H2*2 1:T_9B:H6 2.300 3.500 100.00 100.00" 102 1 102 63 parsed_1oo7 5
95 "1:T_8B:H2*1 1:T_9B:H6 2.400 3.000 100.00 100.00" 103 1 103 63 parsed_1oo7 5
96 "1:T_8B:H4* 1:T_8B:H6 3.000 5.000 100.00 100.00" 104 1 104 63 parsed_1oo7 5
97 "1:T_8B:H1* 1:T_8B:H4* 3.000 4.000 100.00 100.00" 105 1 105 63 parsed_1oo7 5
98 "1:T_8B:H6 1:PR_9B:H91 2.300 3.300 100.00 100.00" 106 1 106 64 parsed_1oo7 5
99 "1:T_8B:O4 1:A_3:N6 2.700 3.000 100.00 100.00" 107 1 107 64 parsed_1oo7 5
100 "1:T_8B:N3 1:A_3:N1 2.700 3.000 100.00 100.00" 108 1 108 64 parsed_1oo7 5
101 "1:T_9B:H1* 1:T_9B:H6 3.500 4.000 100.00 100.00" 110 1 110 63 parsed_1oo7 5
102 "1:T_9B:H1* 1:C_10B:H6 4.000 5.000 100.00 100.00" 111 1 111 64 parsed_1oo7 5
103 "1:T_9B:H2*2 1:T_9B:H6 2.000 2.600 100.00 100.00" 112 1 112 63 parsed_1oo7 5
104 "1:T_9B:H2*1 1:T_9B:H6 3.000 4.000 100.00 100.00" 113 1 113 63 parsed_1oo7 5
105 "1:T_9B:H2*2 1:C_10B:H6 2.500 4.000 100.00 100.00" 114 1 114 64 parsed_1oo7 5
106 "1:T_9B:H2*1 1:C_10B:H6 2.000 3.000 100.00 100.00" 115 1 115 64 parsed_1oo7 5
107 "1:T_9B:H4* 1:T_9B:H6 3.000 5.000 100.00 100.00" 116 1 116 63 parsed_1oo7 5
108 "1:T_9B:H1* 1:T_9B:H4* 3.000 4.000 100.00 100.00" 117 1 117 63 parsed_1oo7 5
109 "1:T_9B:H6 1:C_10B:H5 3.000 4.500 100.00 100.00" 118 1 118 64 parsed_1oo7 5
110 "1:T_9B:O4 1:A_2:N6 2.700 3.000 100.00 100.00" 119 1 119 64 parsed_1oo7 5
111 "1:T_9B:N3 1:A_2:N1 2.700 3.000 100.00 100.00" 120 1 120 64 parsed_1oo7 5
112 "1:C_10B:H1* 1:C_10B:H6 3.500 4.000 100.00 100.00" 122 1 122 65 parsed_1oo7 5
113 "1:C_10B:H2*2 1:C_10B:H6 2.200 2.800 100.00 100.00" 123 1 123 65 parsed_1oo7 5
114 "1:C_10B:H2*1 1:C_10B:H6 2.500 4.000 100.00 100.00" 124 1 124 65 parsed_1oo7 5
115 "1:C_10B:H1* 1:C_10B:H4* 2.600 3.500 100.00 100.00" 125 1 125 65 parsed_1oo7 5
116 "1:C_10B:N4 1:G_1:O6 2.700 3.000 100.00 100.00" 126 1 126 65 parsed_1oo7 5
117 "1:C_10B:N3 1:G_1:N1 2.700 3.000 100.00 100.00" 127 1 127 65 parsed_1oo7 5
stop_
save_
save_Discover_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1oo7
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
NMR_dihedral
GAMMA
;
1 1 4 6 parsed_1oo7 2
2 DELTA 25 1 26 6 parsed_1oo7 2
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "1:G_1:O5* 1:G_1:C5* 1:G_1:C4* 1:G_1:C3* 50.000 70.000 100.00 100.00" 5 1 5 107 parsed_1oo7 2
2 "1:A_2:O5* 1:A_2:C5* 1:A_2:C4* 1:A_2:C3* 50.000 70.000 100.00 100.00" 6 1 6 107 parsed_1oo7 2
3 "1:A_3:O5* 1:A_3:C5* 1:A_3:C4* 1:A_3:C3* 50.000 70.000 100.00 100.00" 7 1 7 107 parsed_1oo7 2
4 "1:G_4:O5* 1:G_4:C5* 1:G_4:C4* 1:G_4:C3* 50.000 70.000 100.00 100.00" 8 1 8 107 parsed_1oo7 2
5 "1:A_5:O5* 1:A_5:C5* 1:A_5:C4* 1:A_5:C3* 50.000 70.000 100.00 100.00" 9 1 9 107 parsed_1oo7 2
6 "1:G_6:O5* 1:G_6:C5* 1:G_6:C4* 1:G_6:C3* 50.000 70.000 100.00 100.00" 10 1 10 107 parsed_1oo7 2
7 "1:A_7:O5* 1:A_7:C5* 1:A_7:C4* 1:A_7:C3* 50.000 70.000 100.00 100.00" 11 1 11 107 parsed_1oo7 2
8 "1:A_8:O5* 1:A_8:C5* 1:A_8:C4* 1:A_8:C3* 50.000 70.000 100.00 100.00" 12 1 12 107 parsed_1oo7 2
9 "1:G_9:O5* 1:G_9:C5* 1:G_9:C4* 1:G_9:C3* 50.000 70.000 100.00 100.00" 13 1 13 107 parsed_1oo7 2
10 "1:C_10:O5* 1:C_10:C5* 1:C_10:C4* 1:C_10:C3* 50.000 70.000 100.00 100.00" 14 1 14 107 parsed_1oo7 2
11 "1:G_1B:O5* 1:G_1B:C5* 1:G_1B:C4* 1:G_1B:C3* 50.000 70.000 100.00 100.00" 15 1 15 107 parsed_1oo7 2
12 "1:C_2B:O5* 1:C_2B:C5* 1:C_2B:C4* 1:C_2B:C3* 50.000 70.000 100.00 100.00" 16 1 16 103 parsed_1oo7 2
13 "1:T_3B:O5* 1:T_3B:C5* 1:T_3B:C4* 1:T_3B:C3* 50.000 70.000 100.00 100.00" 17 1 17 103 parsed_1oo7 2
14 "1:T_4B:O5* 1:T_4B:C5* 1:T_4B:C4* 1:T_4B:C3* 50.000 70.000 100.00 100.00" 18 1 18 103 parsed_1oo7 2
15 "1:C_5B:O5* 1:C_5B:C5* 1:C_5B:C4* 1:C_5B:C3* 50.000 70.000 100.00 100.00" 19 1 19 103 parsed_1oo7 2
16 "1:T_6B:O5* 1:T_6B:C5* 1:T_6B:C4* 1:T_6B:C3* 50.000 70.000 100.00 100.00" 20 1 20 103 parsed_1oo7 2
17 "1:C_7B:O5* 1:C_7B:C5* 1:C_7B:C4* 1:C_7B:C3* 50.000 70.000 100.00 100.00" 21 1 21 103 parsed_1oo7 2
18 "1:T_8B:O5* 1:T_8B:C5* 1:T_8B:C4* 1:T_8B:C3* 50.000 70.000 100.00 100.00" 22 1 22 103 parsed_1oo7 2
19 "1:T_9B:O5* 1:T_9B:C5* 1:T_9B:C4* 1:T_9B:C3* 50.000 70.000 100.00 100.00" 23 1 23 103 parsed_1oo7 2
20 "1:C_10B:O5* 1:C_10B:C5* 1:C_10B:C4* 1:C_10B:C3* 50.000 70.000 100.00 100.00" 24 1 24 107 parsed_1oo7 2
21 "1:G_1:C5* 1:G_1:C4* 1:G_1:C3* 1:G_1:O3* 75.000 85.000 100.00 100.00" 27 1 27 107 parsed_1oo7 2
22 "1:A_2:C5* 1:A_2:C4* 1:A_2:C3* 1:A_2:O3* 75.000 85.000 100.00 100.00" 28 1 28 107 parsed_1oo7 2
23 "1:A_3:C5* 1:A_3:C4* 1:A_3:C3* 1:A_3:O3* 75.000 85.000 100.00 100.00" 29 1 29 107 parsed_1oo7 2
24 "1:G_4:C5* 1:G_4:C4* 1:G_4:C3* 1:G_4:O3* 75.000 85.000 100.00 100.00" 30 1 30 107 parsed_1oo7 2
25 "1:A_5:C5* 1:A_5:C4* 1:A_5:C3* 1:A_5:O3* 75.000 85.000 100.00 100.00" 31 1 31 107 parsed_1oo7 2
26 "1:G_6:C5* 1:G_6:C4* 1:G_6:C3* 1:G_6:O3* 75.000 85.000 100.00 100.00" 32 1 32 107 parsed_1oo7 2
27 "1:A_7:C5* 1:A_7:C4* 1:A_7:C3* 1:A_7:O3* 75.000 85.000 100.00 100.00" 33 1 33 107 parsed_1oo7 2
28 "1:A_8:C5* 1:A_8:C4* 1:A_8:C3* 1:A_8:O3* 75.000 85.000 100.00 100.00" 34 1 34 107 parsed_1oo7 2
29 "1:G_9:C5* 1:G_9:C4* 1:G_9:C3* 1:G_9:O3* 75.000 85.000 100.00 100.00" 35 1 35 107 parsed_1oo7 2
30 "1:C_10:C5* 1:C_10:C4* 1:C_10:C3* 1:C_10:O3* 75.000 85.000 100.00 100.00" 36 1 36 107 parsed_1oo7 2
31 "1:G_1B:C5* 1:G_1B:C4* 1:G_1B:C3* 1:G_1B:O3* 75.000 85.000 100.00 100.00" 37 1 37 107 parsed_1oo7 2
32 "1:C_2B:C5* 1:C_2B:C4* 1:C_2B:C3* 1:C_2B:O3* 75.000 85.000 100.00 100.00" 38 1 38 103 parsed_1oo7 2
33 "1:T_3B:C5* 1:T_3B:C4* 1:T_3B:C3* 1:T_3B:O3* 75.000 85.000 100.00 100.00" 39 1 39 103 parsed_1oo7 2
34 "1:T_4B:C5* 1:T_4B:C4* 1:T_4B:C3* 1:T_4B:O3* 75.000 85.000 100.00 100.00" 40 1 40 103 parsed_1oo7 2
35 "1:C_5B:C5* 1:C_5B:C4* 1:C_5B:C3* 1:C_5B:O3* 75.000 85.000 100.00 100.00" 41 1 41 103 parsed_1oo7 2
36 "1:T_6B:C5* 1:T_6B:C4* 1:T_6B:C3* 1:T_6B:O3* 75.000 85.000 100.00 100.00" 42 1 42 103 parsed_1oo7 2
37 "1:C_7B:C5* 1:C_7B:C4* 1:C_7B:C3* 1:C_7B:O3* 75.000 85.000 100.00 100.00" 43 1 43 103 parsed_1oo7 2
38 "1:T_8B:C5* 1:T_8B:C4* 1:T_8B:C3* 1:T_8B:O3* 75.000 85.000 100.00 100.00" 44 1 44 103 parsed_1oo7 2
39 "1:T_9B:C5* 1:T_9B:C4* 1:T_9B:C3* 1:T_9B:O3* 75.000 85.000 100.00 100.00" 45 1 45 103 parsed_1oo7 2
40
;
1:C_10B:C5* 1:C_10B:C4* 1:C_10B:C3* 1:C_10B:O3* 75.000 85.000 100.00 100.00
!
CHI
;
46 1 48 3 parsed_1oo7 2
41 "1:G_1:O4* 1:G_1:C1* 1:G_1:N9 1:G_1:C4 -180.000 -150.000 100.00 100.00" 49 1 49 107 parsed_1oo7 2
42 "1:A_2:O4* 1:A_2:C1* 1:A_2:N9 1:A_2:C4 -180.000 -150.000 100.00 100.00" 50 1 50 107 parsed_1oo7 2
43 "1:A_3:O4* 1:A_3:C1* 1:A_3:N9 1:A_3:C4 -180.000 -150.000 100.00 100.00" 51 1 51 107 parsed_1oo7 2
44 "1:G_4:O4* 1:G_4:C1* 1:G_4:N9 1:G_4:C4 -180.000 -150.000 100.00 100.00" 52 1 52 107 parsed_1oo7 2
45 "1:A_5:O4* 1:A_5:C1* 1:A_5:N9 1:A_5:C4 -180.000 -150.000 100.00 100.00" 53 1 53 107 parsed_1oo7 2
46 "1:G_6:O4* 1:G_6:C1* 1:G_6:N9 1:G_6:C4 -180.000 -150.000 100.00 100.00" 54 1 54 107 parsed_1oo7 2
47 "1:A_7:O4* 1:A_7:C1* 1:A_7:N9 1:A_7:C4 -180.000 -150.000 100.00 100.00" 55 1 55 107 parsed_1oo7 2
48 "1:A_8:O4* 1:A_8:C1* 1:A_8:N9 1:A_8:C4 -180.000 -150.000 100.00 100.00" 56 1 56 107 parsed_1oo7 2
49 "1:G_9:O4* 1:G_9:C1* 1:G_9:N9 1:G_9:C4 -180.000 -150.000 100.00 100.00" 57 1 57 107 parsed_1oo7 2
50 "1:C_10:O4* 1:C_10:C1* 1:C_10:N1 1:C_10:C2 -180.000 -150.000 100.00 100.00" 58 1 58 107 parsed_1oo7 2
51 "1:G_1B:O4* 1:G_1B:C1* 1:G_1B:N9 1:G_1B:C4 -180.000 -150.000 100.00 100.00" 59 1 59 107 parsed_1oo7 2
52 "1:C_2B:O4* 1:C_2B:C1* 1:C_2B:N1 1:C_2B:C2 -180.000 -150.000 100.00 100.00" 60 1 60 103 parsed_1oo7 2
53 "1:T_3B:O4* 1:T_3B:C1* 1:T_3B:N1 1:T_3B:C2 -180.000 -150.000 100.00 100.00" 61 1 61 103 parsed_1oo7 2
54 "1:T_4B:O4* 1:T_4B:C1* 1:T_4B:N1 1:T_4B:C2 -180.000 -150.000 100.00 100.00" 62 1 62 103 parsed_1oo7 2
55 "1:C_5B:O4* 1:C_5B:C1* 1:C_5B:N1 1:C_5B:C2 -180.000 -150.000 100.00 100.00" 63 1 63 103 parsed_1oo7 2
56 "1:T_6B:O4* 1:T_6B:C1* 1:T_6B:N1 1:T_6B:C2 -180.000 -150.000 100.00 100.00" 64 1 64 103 parsed_1oo7 2
57 "1:C_7B:O4* 1:C_7B:C1* 1:C_7B:N1 1:C_7B:C2 -180.000 -150.000 100.00 100.00" 65 1 65 103 parsed_1oo7 2
58 "1:T_8B:O4* 1:T_8B:C1* 1:T_8B:N1 1:T_8B:C2 -180.000 -150.000 100.00 100.00" 66 1 66 103 parsed_1oo7 2
59 "1:T_9B:O4* 1:T_9B:C1* 1:T_9B:N1 1:T_9B:C2 -180.000 -150.000 100.00 100.00" 67 1 67 103 parsed_1oo7 2
stop_
save_
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