NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
36704 |
1o4x   |
cing | 2-parsed | STAR | entry | full | 776 |
data_1o4x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1o4x
_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_1o4x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1o4x
_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 1o4x "Master copy" parsed_1o4x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1o4x
_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 1o4x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 139 parsed_1o4x 1
1 1o4x.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 204 parsed_1o4x 1
1 1o4x.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 7 distance NOE ambi 16 parsed_1o4x 1
1 1o4x.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 9 distance NOE ambi 47 parsed_1o4x 1
1 1o4x.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 11 distance NOE simple 3 parsed_1o4x 1
1 1o4x.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1o4x 1
1 1o4x.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1o4x 1
1 1o4x.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 17 distance "general distance" simple 15 parsed_1o4x 1
1 1o4x.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 19 distance "general distance" simple 5 parsed_1o4x 1
1 1o4x.mr . . n/a 20 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 21 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1o4x 1
1 1o4x.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 23 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_1o4x 1
1 1o4x.mr . . n/a 24 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 25 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_1o4x 1
1 1o4x.mr . . n/a 26 comment "Not applicable" "Not applicable" 0 parsed_1o4x 1
1 1o4x.mr . . XPLOR/CNS 27 "dihedral angle" "Not applicable" "Not applicable" 220 parsed_1o4x 1
1 1o4x.mr . . "MR format" 28 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1o4x 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_1o4x
_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 TRANSCRIPTION/DNA 17-JUL-03 1O4X
*TITLE TERNARY COMPLEX OF THE DNA BINDING DOMAINS OF THE OCT1 AND
*TITLE 2 SOX2 TRANSCRIPTION FACTORS WITH A 19MER OLIGONUCLEOTIDE
*TITLE 3 FROM THE HOXB1 REGULATORY ELEMENT
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: TRANSCRIPTION FACTOR OCT-1;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 MOL_ID: 2;
*COMPND 6 MOLECULE: TRANSCRIPTION FACTOR SOX-2;
*COMPND 7 CHAIN: B;
*COMPND 8 ENGINEERED: YES;
*COMPND 9 MOL_ID: 3;
*COMPND 10 MOLECULE: 5'-
*COMPND 11 D(*TP*GP*TP*CP*TP*TP*TP*GP*TP*CP*AP*TP*GP*CP*TP*AP*AP*TP*G)
*COMPND 12 -3';
*COMPND 13 CHAIN: C;
*COMPND 14 ENGINEERED: YES;
*COMPND 15 MUTATION: YES;
*COMPND 16 MOL_ID: 4;
*COMPND 17 MOLECULE: 5'-
*COMPND 18 D(*CP*AP*TP*TP*AP*GP*CP*AP*TP*GP*AP*CP*AP*AP*AP*GP*AP*CP*A)
*COMPND 19 -3';
*COMPND 20 CHAIN: D;
*COMPND 21 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 5 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 6 MOL_ID: 2;
*SOURCE 7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 8 ORGANISM_COMMON: HUMAN;
*SOURCE 9 GENE: SOX2;
*SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 11 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 12 MOL_ID: 3;
*SOURCE 13 SYNTHETIC: YES;
*SOURCE 14 MOL_ID: 4;
*SOURCE 15 SYNTHETIC: YES
*KEYWDS OCT1, POU, POUS, POUHD, SOX2, HMG-BOX, TRANSCRIPTION
*KEYWDS 2 FACTORS, DNA, PROTEIN-DNA COMPLEX
*EXPDTA NMR
*AUTHOR G.M.CLORE, D.C.WILLIAMS
*REVDAT 1 27-JAN-04 1O4X 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
***************************************************************
IMPORTANT NOTE REGARDING RESIDUE NUMBERING.
RELATIVE TO COORDINATES IN ASSOCIATED PDB FILES, SUBTRACT 4 FOR
POUHD, 3 FOR POUS AND 3 FOR SOX2
***************************************************************
1. DIPOLAR COUPLINGS (ALL COUPLINGS NORMALIZED TO NH's)
Da(NH) = 10.9 Hz, rhombicity = 0.63
A. SOX2
;
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1o4x
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 4.5907 . . . . . 206 . N . 206 . HN parsed_1o4x 1
2 . . . . . . . . . . . . . . . . -9.7623 . . . . . 207 . N . 207 . HN parsed_1o4x 1
3 . . . . . . . . . . . . . . . . -9.2239 . . . . . 208 . N . 208 . HN parsed_1o4x 1
4 . . . . . . . . . . . . . . . . -1.1335 . . . . . 209 . N . 209 . HN parsed_1o4x 1
5 . . . . . . . . . . . . . . . . 10.6975 . . . . . 212 . N . 212 . HN parsed_1o4x 1
6 . . . . . . . . . . . . . . . . -4.6049 . . . . . 213 . N . 213 . HN parsed_1o4x 1
7 . . . . . . . . . . . . . . . . -21.7633 . . . . . 214 . N . 214 . HN parsed_1o4x 1
8 . . . . . . . . . . . . . . . . -16.6767 . . . . . 217 . N . 217 . HN parsed_1o4x 1
9 . . . . . . . . . . . . . . . . -18.1361 . . . . . 218 . N . 218 . HN parsed_1o4x 1
10 . . . . . . . . . . . . . . . . -22.5851 . . . . . 220 . N . 220 . HN parsed_1o4x 1
11 . . . . . . . . . . . . . . . . -13.6446 . . . . . 221 . N . 221 . HN parsed_1o4x 1
12 . . . . . . . . . . . . . . . . -20.2614 . . . . . 222 . N . 222 . HN parsed_1o4x 1
13 . . . . . . . . . . . . . . . . -13.5171 . . . . . 223 . N . 223 . HN parsed_1o4x 1
14 . . . . . . . . . . . . . . . . -6.4610 . . . . . 224 . N . 224 . HN parsed_1o4x 1
15 . . . . . . . . . . . . . . . . -16.8326 . . . . . 226 . N . 226 . HN parsed_1o4x 1
16 . . . . . . . . . . . . . . . . -13.3895 . . . . . 228 . N . 228 . HN parsed_1o4x 1
17 . . . . . . . . . . . . . . . . -18.7879 . . . . . 229 . N . 229 . HN parsed_1o4x 1
18 . . . . . . . . . . . . . . . . -0.5384 . . . . . 230 . N . 230 . HN parsed_1o4x 1
19 . . . . . . . . . . . . . . . . 11.2642 . . . . . 232 . N . 232 . HN parsed_1o4x 1
20 . . . . . . . . . . . . . . . . 4.5624 . . . . . 233 . N . 233 . HN parsed_1o4x 1
21 . . . . . . . . . . . . . . . . 16.8326 . . . . . 234 . N . 234 . HN parsed_1o4x 1
22 . . . . . . . . . . . . . . . . -10.3716 . . . . . 237 . N . 237 . HN parsed_1o4x 1
23 . . . . . . . . . . . . . . . . -0.3401 . . . . . 239 . N . 239 . HN parsed_1o4x 1
24 . . . . . . . . . . . . . . . . -1.9978 . . . . . 241 . N . 241 . HN parsed_1o4x 1
25 . . . . . . . . . . . . . . . . 4.6474 . . . . . 242 . N . 242 . HN parsed_1o4x 1
26 . . . . . . . . . . . . . . . . -11.3067 . . . . . 244 . N . 244 . HN parsed_1o4x 1
27 . . . . . . . . . . . . . . . . 2.3520 . . . . . 245 . N . 245 . HN parsed_1o4x 1
28 . . . . . . . . . . . . . . . . 3.1455 . . . . . 246 . N . 246 . HN parsed_1o4x 1
29 . . . . . . . . . . . . . . . . -4.0806 . . . . . 247 . N . 247 . HN parsed_1o4x 1
30 . . . . . . . . . . . . . . . . -4.2223 . . . . . 248 . N . 248 . HN parsed_1o4x 1
31 . . . . . . . . . . . . . . . . 8.9689 . . . . . 249 . N . 249 . HN parsed_1o4x 1
32 . . . . . . . . . . . . . . . . 17.9377 . . . . . 251 . N . 251 . HN parsed_1o4x 1
33 . . . . . . . . . . . . . . . . 22.6418 . . . . . 252 . N . 252 . HN parsed_1o4x 1
34 . . . . . . . . . . . . . . . . 20.2756 . . . . . 253 . N . 253 . HN parsed_1o4x 1
35 . . . . . . . . . . . . . . . . 13.6729 . . . . . 254 . N . 254 . HN parsed_1o4x 1
36 . . . . . . . . . . . . . . . . 21.9192 . . . . . 255 . N . 255 . HN parsed_1o4x 1
37 . . . . . . . . . . . . . . . . 21.4516 . . . . . 257 . N . 257 . HN parsed_1o4x 1
38 . . . . . . . . . . . . . . . . 15.5290 . . . . . 258 . N . 258 . HN parsed_1o4x 1
39 . . . . . . . . . . . . . . . . 9.2381 . . . . . 260 . N . 260 . HN parsed_1o4x 1
40 . . . . . . . . . . . . . . . . 20.1906 . . . . . 261 . N . 261 . HN parsed_1o4x 1
41 . . . . . . . . . . . . . . . . 14.4664 . . . . . 262 . N . 262 . HN parsed_1o4x 1
42 . . . . . . . . . . . . . . . . 19.7797 . . . . . 264 . N . 264 . HN parsed_1o4x 1
43 . . . . . . . . . . . . . . . . 19.0712 . . . . . 265 . N . 265 . HN parsed_1o4x 1
44 . . . . . . . . . . . . . . . . 9.2097 . . . . . 266 . N . 266 . HN parsed_1o4x 1
45 . . . . . . . . . . . . . . . . 14.5372 . . . . . 267 . N . 267 . HN parsed_1o4x 1
46 . . . . . . . . . . . . . . . . 19.1704 . . . . . 271 . N . 271 . HN parsed_1o4x 1
47 . . . . . . . . . . . . . . . . 23.0102 . . . . . 272 . N . 272 . HN parsed_1o4x 1
48 . . . . . . . . . . . . . . . . -7.1269 . . . . . 274 . N . 274 . HN parsed_1o4x 1
49 . . . . . . . . . . . . . . . . -7.5662 . . . . . 277 . N . 277 . HN parsed_1o4x 1
50 . . . . . . . . . . . . . . . . -13.2904 . . . . . 278 . N . 278 . HN parsed_1o4x 1
51 . . . . . . . . . . . . . . . . -13.8429 . . . . . 280 . N . 280 . HN parsed_1o4x 1
52 . . . . . . . . . . . . . . . . -13.2422 . . . . . 207 . C . 208 . N parsed_1o4x 1
53 . . . . . . . . . . . . . . . . -5.3459 . . . . . 208 . C . 209 . N parsed_1o4x 1
54 . . . . . . . . . . . . . . . . -10.1619 . . . . . 211 . C . 212 . N parsed_1o4x 1
55 . . . . . . . . . . . . . . . . 12.8880 . . . . . 212 . C . 213 . N parsed_1o4x 1
56 . . . . . . . . . . . . . . . . 9.0284 . . . . . 213 . C . 214 . N parsed_1o4x 1
57 . . . . . . . . . . . . . . . . 1.7938 . . . . . 216 . C . 217 . N parsed_1o4x 1
58 . . . . . . . . . . . . . . . . 19.5572 . . . . . 219 . C . 220 . N parsed_1o4x 1
59 . . . . . . . . . . . . . . . . 10.3503 . . . . . 220 . C . 221 . N parsed_1o4x 1
60 . . . . . . . . . . . . . . . . 4.4263 . . . . . 222 . C . 223 . N parsed_1o4x 1
61 . . . . . . . . . . . . . . . . 16.7830 . . . . . 223 . C . 224 . N parsed_1o4x 1
62 . . . . . . . . . . . . . . . . 7.2233 . . . . . 224 . C . 225 . N parsed_1o4x 1
63 . . . . . . . . . . . . . . . . -0.1063 . . . . . 225 . C . 226 . N parsed_1o4x 1
64 . . . . . . . . . . . . . . . . 4.0480 . . . . . 228 . C . 229 . N parsed_1o4x 1
65 . . . . . . . . . . . . . . . . 0.4251 . . . . . 229 . C . 230 . N parsed_1o4x 1
66 . . . . . . . . . . . . . . . . 13.5851 . . . . . 231 . C . 232 . N parsed_1o4x 1
67 . . . . . . . . . . . . . . . . -8.4390 . . . . . 232 . C . 233 . N parsed_1o4x 1
68 . . . . . . . . . . . . . . . . 16.3466 . . . . . 237 . C . 238 . N parsed_1o4x 1
69 . . . . . . . . . . . . . . . . 9.9267 . . . . . 239 . C . 240 . N parsed_1o4x 1
70 . . . . . . . . . . . . . . . . -9.3004 . . . . . 240 . C . 241 . N parsed_1o4x 1
71 . . . . . . . . . . . . . . . . 18.3883 . . . . . 241 . C . 242 . N parsed_1o4x 1
72 . . . . . . . . . . . . . . . . -2.7856 . . . . . 243 . C . 244 . N parsed_1o4x 1
73 . . . . . . . . . . . . . . . . 0.4959 . . . . . 244 . C . 245 . N parsed_1o4x 1
74 . . . . . . . . . . . . . . . . 17.9165 . . . . . 246 . C . 247 . N parsed_1o4x 1
75 . . . . . . . . . . . . . . . . -9.2055 . . . . . 247 . C . 248 . N parsed_1o4x 1
76 . . . . . . . . . . . . . . . . 20.4655 . . . . . 248 . C . 249 . N parsed_1o4x 1
77 . . . . . . . . . . . . . . . . -2.1480 . . . . . 249 . C . 250 . N parsed_1o4x 1
78 . . . . . . . . . . . . . . . . -20.1821 . . . . . 250 . C . 251 . N parsed_1o4x 1
79 . . . . . . . . . . . . . . . . -6.3151 . . . . . 252 . C . 253 . N parsed_1o4x 1
80 . . . . . . . . . . . . . . . . 7.1411 . . . . . 258 . C . 259 . N parsed_1o4x 1
81 . . . . . . . . . . . . . . . . 4.7806 . . . . . 260 . C . 261 . N parsed_1o4x 1
82 . . . . . . . . . . . . . . . . 2.2302 . . . . . 261 . C . 262 . N parsed_1o4x 1
83 . . . . . . . . . . . . . . . . -8.7223 . . . . . 262 . C . 263 . N parsed_1o4x 1
84 . . . . . . . . . . . . . . . . -1.4041 . . . . . 263 . C . 264 . N parsed_1o4x 1
85 . . . . . . . . . . . . . . . . -2.1367 . . . . . 264 . C . 265 . N parsed_1o4x 1
86 . . . . . . . . . . . . . . . . 5.8546 . . . . . 265 . C . 266 . N parsed_1o4x 1
87 . . . . . . . . . . . . . . . . 4.3427 . . . . . 271 . C . 272 . N parsed_1o4x 1
88 . . . . . . . . . . . . . . . . -0.9677 . . . . . 275 . C . 276 . N parsed_1o4x 1
89 . . . . . . . . . . . . . . . . 16.9247 . . . . . 276 . C . 277 . N parsed_1o4x 1
90 . . . . . . . . . . . . . . . . -16.2757 . . . . . 279 . C . 280 . N parsed_1o4x 1
91 . . . . . . . . . . . . . . . . 12.2971 . . . . . 207 . C . 207 . CA parsed_1o4x 1
92 . . . . . . . . . . . . . . . . 23.5316 . . . . . 208 . C . 208 . CA parsed_1o4x 1
93 . . . . . . . . . . . . . . . . -3.1880 . . . . . 209 . C . 209 . CA parsed_1o4x 1
94 . . . . . . . . . . . . . . . . 15.0303 . . . . . 211 . C . 211 . CA parsed_1o4x 1
95 . . . . . . . . . . . . . . . . 1.8972 . . . . . 212 . C . 212 . CA parsed_1o4x 1
96 . . . . . . . . . . . . . . . . -9.5640 . . . . . 213 . C . 213 . CA parsed_1o4x 1
97 . . . . . . . . . . . . . . . . -3.9474 . . . . . 220 . C . 220 . CA parsed_1o4x 1
98 . . . . . . . . . . . . . . . . 6.6792 . . . . . 221 . C . 221 . CA parsed_1o4x 1
99 . . . . . . . . . . . . . . . . -4.0225 . . . . . 222 . C . 222 . CA parsed_1o4x 1
100 . . . . . . . . . . . . . . . . -4.6304 . . . . . 224 . C . 224 . CA parsed_1o4x 1
101 . . . . . . . . . . . . . . . . -10.4750 . . . . . 226 . C . 226 . CA parsed_1o4x 1
102 . . . . . . . . . . . . . . . . -15.1819 . . . . . 227 . C . 227 . CA parsed_1o4x 1
103 . . . . . . . . . . . . . . . . 6.9073 . . . . . 228 . C . 228 . CA parsed_1o4x 1
104 . . . . . . . . . . . . . . . . -4.5539 . . . . . 231 . C . 231 . CA parsed_1o4x 1
105 . . . . . . . . . . . . . . . . -14.3459 . . . . . 232 . C . 232 . CA parsed_1o4x 1
106 . . . . . . . . . . . . . . . . 4.7069 . . . . . 233 . C . 233 . CA parsed_1o4x 1
107 . . . . . . . . . . . . . . . . 23.6067 . . . . . 236 . C . 236 . CA parsed_1o4x 1
108 . . . . . . . . . . . . . . . . 0.7594 . . . . . 237 . C . 237 . CA parsed_1o4x 1
109 . . . . . . . . . . . . . . . . -21.4063 . . . . . 238 . C . 238 . CA parsed_1o4x 1
110 . . . . . . . . . . . . . . . . 19.7358 . . . . . 239 . C . 239 . CA parsed_1o4x 1
111 . . . . . . . . . . . . . . . . 13.5879 . . . . . 240 . C . 240 . CA parsed_1o4x 1
112 . . . . . . . . . . . . . . . . 26.1117 . . . . . 243 . C . 243 . CA parsed_1o4x 1
113 . . . . . . . . . . . . . . . . 1.2908 . . . . . 244 . C . 244 . CA parsed_1o4x 1
114 . . . . . . . . . . . . . . . . -1.1392 . . . . . 246 . C . 246 . CA parsed_1o4x 1
115 . . . . . . . . . . . . . . . . 0.5313 . . . . . 247 . C . 247 . CA parsed_1o4x 1
116 . . . . . . . . . . . . . . . . 2.7332 . . . . . 248 . C . 248 . CA parsed_1o4x 1
117 . . . . . . . . . . . . . . . . -13.5879 . . . . . 249 . C . 249 . CA parsed_1o4x 1
118 . . . . . . . . . . . . . . . . 10.2469 . . . . . 251 . C . 251 . CA parsed_1o4x 1
119 . . . . . . . . . . . . . . . . -6.2244 . . . . . 252 . C . 252 . CA parsed_1o4x 1
120 . . . . . . . . . . . . . . . . 15.4086 . . . . . 253 . C . 253 . CA parsed_1o4x 1
121 . . . . . . . . . . . . . . . . 3.3396 . . . . . 254 . C . 254 . CA parsed_1o4x 1
122 . . . . . . . . . . . . . . . . -0.8345 . . . . . 260 . C . 260 . CA parsed_1o4x 1
123 . . . . . . . . . . . . . . . . -19.0528 . . . . . 261 . C . 261 . CA parsed_1o4x 1
124 . . . . . . . . . . . . . . . . 17.2307 . . . . . 262 . C . 262 . CA parsed_1o4x 1
125 . . . . . . . . . . . . . . . . 1.8972 . . . . . 263 . C . 263 . CA parsed_1o4x 1
126 . . . . . . . . . . . . . . . . 14.3459 . . . . . 266 . C . 266 . CA parsed_1o4x 1
127 . . . . . . . . . . . . . . . . -2.7332 . . . . . 267 . C . 267 . CA parsed_1o4x 1
128 . . . . . . . . . . . . . . . . 7.9700 . . . . . 269 . C . 269 . CA parsed_1o4x 1
129 . . . . . . . . . . . . . . . . 4.9336 . . . . . 270 . C . 270 . CA parsed_1o4x 1
130 . . . . . . . . . . . . . . . . 3.3396 . . . . . 271 . C . 271 . CA parsed_1o4x 1
131 . . . . . . . . . . . . . . . . -1.5940 . . . . . 273 . C . 273 . CA parsed_1o4x 1
132 . . . . . . . . . . . . . . . . -0.2281 . . . . . 274 . C . 274 . CA parsed_1o4x 1
133 . . . . . . . . . . . . . . . . 7.5152 . . . . . 275 . C . 275 . CA parsed_1o4x 1
134 . . . . . . . . . . . . . . . . -4.0225 . . . . . 276 . C . 276 . CA parsed_1o4x 1
135 . . . . . . . . . . . . . . . . -2.7332 . . . . . 277 . C . 277 . CA parsed_1o4x 1
136 . . . . . . . . . . . . . . . . 5.7695 . . . . . 279 . C . 279 . CA parsed_1o4x 1
137 . . . . . . . . . . . . . . . . 13.8911 . . . . . 280 . C . 280 . CA parsed_1o4x 1
138 . . . . . . . . . . . . . . . . -12.3722 . . . . . 281 . C . 281 . CA parsed_1o4x 1
139 . . . . . . . . . . . . . . . . -7.2105 . . . . . 282 . C . 282 . CA parsed_1o4x 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
B. OCT1
;
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1o4x
_RDC_constraint_list.ID 2
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 2.460 . . . . . 10 . N . 10 . HN parsed_1o4x 2
2 . . . . . . . . . . . . . . . . -7.060 . . . . . 11 . N . 11 . HN parsed_1o4x 2
3 . . . . . . . . . . . . . . . . -1.900 . . . . . 13 . N . 13 . HN parsed_1o4x 2
4 . . . . . . . . . . . . . . . . -14.190 . . . . . 15 . N . 15 . HN parsed_1o4x 2
5 . . . . . . . . . . . . . . . . -1.490 . . . . . 17 . N . 17 . HN parsed_1o4x 2
6 . . . . . . . . . . . . . . . . -4.240 . . . . . 18 . N . 18 . HN parsed_1o4x 2
7 . . . . . . . . . . . . . . . . -6.000 . . . . . 20 . N . 20 . HN parsed_1o4x 2
8 . . . . . . . . . . . . . . . . 5.550 . . . . . 21 . N . 21 . HN parsed_1o4x 2
9 . . . . . . . . . . . . . . . . -4.840 . . . . . 22 . N . 22 . HN parsed_1o4x 2
10 . . . . . . . . . . . . . . . . -10.160 . . . . . 23 . N . 23 . HN parsed_1o4x 2
11 . . . . . . . . . . . . . . . . 0.870 . . . . . 24 . N . 24 . HN parsed_1o4x 2
12 . . . . . . . . . . . . . . . . -7.560 . . . . . 27 . N . 27 . HN parsed_1o4x 2
13 . . . . . . . . . . . . . . . . 21.360 . . . . . 28 . N . 28 . HN parsed_1o4x 2
14 . . . . . . . . . . . . . . . . 19.520 . . . . . 30 . N . 30 . HN parsed_1o4x 2
15 . . . . . . . . . . . . . . . . -12.500 . . . . . 31 . N . 31 . HN parsed_1o4x 2
16 . . . . . . . . . . . . . . . . -20.040 . . . . . 32 . N . 32 . HN parsed_1o4x 2
17 . . . . . . . . . . . . . . . . 1.500 . . . . . 34 . N . 34 . HN parsed_1o4x 2
18 . . . . . . . . . . . . . . . . -6.850 . . . . . 40 . N . 40 . HN parsed_1o4x 2
19 . . . . . . . . . . . . . . . . -14.190 . . . . . 43 . N . 43 . HN parsed_1o4x 2
20 . . . . . . . . . . . . . . . . 20.150 . . . . . 52 . N . 52 . HN parsed_1o4x 2
21 . . . . . . . . . . . . . . . . 23.420 . . . . . 53 . N . 53 . HN parsed_1o4x 2
22 . . . . . . . . . . . . . . . . 21.030 . . . . . 54 . N . 54 . HN parsed_1o4x 2
23 . . . . . . . . . . . . . . . . 17.470 . . . . . 56 . N . 56 . HN parsed_1o4x 2
24 . . . . . . . . . . . . . . . . 5.590 . . . . . 58 . N . 58 . HN parsed_1o4x 2
25 . . . . . . . . . . . . . . . . 17.500 . . . . . 60 . N . 60 . HN parsed_1o4x 2
26 . . . . . . . . . . . . . . . . 10.550 . . . . . 61 . N . 61 . HN parsed_1o4x 2
27 . . . . . . . . . . . . . . . . 3.210 . . . . . 62 . N . 62 . HN parsed_1o4x 2
28 . . . . . . . . . . . . . . . . 6.350 . . . . . 63 . N . 63 . HN parsed_1o4x 2
29 . . . . . . . . . . . . . . . . 8.020 . . . . . 64 . N . 64 . HN parsed_1o4x 2
30 . . . . . . . . . . . . . . . . 5.290 . . . . . 65 . N . 65 . HN parsed_1o4x 2
31 . . . . . . . . . . . . . . . . 6.270 . . . . . 70 . N . 70 . HN parsed_1o4x 2
32 . . . . . . . . . . . . . . . . -9.540 . . . . . 72 . N . 72 . HN parsed_1o4x 2
33 . . . . . . . . . . . . . . . . -3.120 . . . . . 73 . N . 73 . HN parsed_1o4x 2
34 . . . . . . . . . . . . . . . . -2.430 . . . . . 74 . N . 74 . HN parsed_1o4x 2
35 . . . . . . . . . . . . . . . . -9.580 . . . . . 75 . N . 75 . HN parsed_1o4x 2
36 . . . . . . . . . . . . . . . . -0.050 . . . . . 77 . N . 77 . HN parsed_1o4x 2
37 . . . . . . . . . . . . . . . . -0.750 . . . . . 78 . N . 78 . HN parsed_1o4x 2
38 . . . . . . . . . . . . . . . . -12.880 . . . . . 79 . N . 79 . HN parsed_1o4x 2
39 . . . . . . . . . . . . . . . . 13.100 . . . . . 110 . N . 110 . HN parsed_1o4x 2
40 . . . . . . . . . . . . . . . . 19.360 . . . . . 111 . N . 111 . HN parsed_1o4x 2
41 . . . . . . . . . . . . . . . . 5.290 . . . . . 112 . N . 112 . HN parsed_1o4x 2
42 . . . . . . . . . . . . . . . . -3.590 . . . . . 115 . N . 115 . HN parsed_1o4x 2
43 . . . . . . . . . . . . . . . . -11.460 . . . . . 116 . N . 116 . HN parsed_1o4x 2
44 . . . . . . . . . . . . . . . . -5.820 . . . . . 117 . N . 117 . HN parsed_1o4x 2
45 . . . . . . . . . . . . . . . . -5.740 . . . . . 118 . N . 118 . HN parsed_1o4x 2
46 . . . . . . . . . . . . . . . . -9.740 . . . . . 119 . N . 119 . HN parsed_1o4x 2
47 . . . . . . . . . . . . . . . . -1.670 . . . . . 121 . N . 121 . HN parsed_1o4x 2
48 . . . . . . . . . . . . . . . . -2.810 . . . . . 122 . N . 122 . HN parsed_1o4x 2
49 . . . . . . . . . . . . . . . . -13.670 . . . . . 123 . N . 123 . HN parsed_1o4x 2
50 . . . . . . . . . . . . . . . . -8.740 . . . . . 124 . N . 124 . HN parsed_1o4x 2
51 . . . . . . . . . . . . . . . . 2.490 . . . . . 125 . N . 125 . HN parsed_1o4x 2
52 . . . . . . . . . . . . . . . . 0.310 . . . . . 127 . N . 127 . HN parsed_1o4x 2
53 . . . . . . . . . . . . . . . . 3.230 . . . . . 128 . N . 128 . HN parsed_1o4x 2
54 . . . . . . . . . . . . . . . . 4.700 . . . . . 130 . N . 130 . HN parsed_1o4x 2
55 . . . . . . . . . . . . . . . . 0.010 . . . . . 133 . N . 133 . HN parsed_1o4x 2
56 . . . . . . . . . . . . . . . . -4.750 . . . . . 136 . N . 136 . HN parsed_1o4x 2
57 . . . . . . . . . . . . . . . . -9.450 . . . . . 137 . N . 137 . HN parsed_1o4x 2
58 . . . . . . . . . . . . . . . . -14.180 . . . . . 139 . N . 139 . HN parsed_1o4x 2
59 . . . . . . . . . . . . . . . . -12.730 . . . . . 141 . N . 141 . HN parsed_1o4x 2
60 . . . . . . . . . . . . . . . . -12.260 . . . . . 142 . N . 142 . HN parsed_1o4x 2
61 . . . . . . . . . . . . . . . . -7.460 . . . . . 143 . N . 143 . HN parsed_1o4x 2
62 . . . . . . . . . . . . . . . . -6.630 . . . . . 144 . N . 144 . HN parsed_1o4x 2
63 . . . . . . . . . . . . . . . . 18.120 . . . . . 145 . N . 145 . HN parsed_1o4x 2
64 . . . . . . . . . . . . . . . . 11.130 . . . . . 146 . N . 146 . HN parsed_1o4x 2
65 . . . . . . . . . . . . . . . . 20.450 . . . . . 147 . N . 147 . HN parsed_1o4x 2
66 . . . . . . . . . . . . . . . . 15.990 . . . . . 148 . N . 148 . HN parsed_1o4x 2
67 . . . . . . . . . . . . . . . . 17.240 . . . . . 149 . N . 149 . HN parsed_1o4x 2
68 . . . . . . . . . . . . . . . . 13.610 . . . . . 150 . N . 150 . HN parsed_1o4x 2
69 . . . . . . . . . . . . . . . . 14.260 . . . . . 152 . N . 152 . HN parsed_1o4x 2
70 . . . . . . . . . . . . . . . . 12.320 . . . . . 153 . N . 153 . HN parsed_1o4x 2
71 . . . . . . . . . . . . . . . . 20.070 . . . . . 154 . N . 154 . HN parsed_1o4x 2
72 . . . . . . . . . . . . . . . . 9.430 . . . . . 156 . N . 156 . HN parsed_1o4x 2
73 . . . . . . . . . . . . . . . . 11.700 . . . . . 159 . N . 159 . HN parsed_1o4x 2
74 . . . . . . . . . . . . . . . . 7.250 . . . . . 160 . N . 160 . HN parsed_1o4x 2
75 . . . . . . . . . . . . . . . . 17.270 . . . . . 161 . N . 161 . HN parsed_1o4x 2
76 . . . . . . . . . . . . . . . . 1.280 . . . . . 163 . N . 163 . HN parsed_1o4x 2
77 . . . . . . . . . . . . . . . . 1.699 . . . . . 9 . C . 10 . N parsed_1o4x 2
78 . . . . . . . . . . . . . . . . 13.428 . . . . . 10 . C . 11 . N parsed_1o4x 2
79 . . . . . . . . . . . . . . . . -2.574 . . . . . 12 . C . 13 . N parsed_1o4x 2
80 . . . . . . . . . . . . . . . . 11.879 . . . . . 13 . C . 14 . N parsed_1o4x 2
81 . . . . . . . . . . . . . . . . -1.533 . . . . . 15 . C . 16 . N parsed_1o4x 2
82 . . . . . . . . . . . . . . . . -1.524 . . . . . 16 . C . 17 . N parsed_1o4x 2
83 . . . . . . . . . . . . . . . . 25.615 . . . . . 17 . C . 18 . N parsed_1o4x 2
84 . . . . . . . . . . . . . . . . 4.082 . . . . . 20 . C . 21 . N parsed_1o4x 2
85 . . . . . . . . . . . . . . . . 17.685 . . . . . 21 . C . 22 . N parsed_1o4x 2
86 . . . . . . . . . . . . . . . . -20.259 . . . . . 22 . C . 23 . N parsed_1o4x 2
87 . . . . . . . . . . . . . . . . 0.591 . . . . . 23 . C . 24 . N parsed_1o4x 2
88 . . . . . . . . . . . . . . . . 12.653 . . . . . 24 . C . 25 . N parsed_1o4x 2
89 . . . . . . . . . . . . . . . . -1.058 . . . . . 26 . C . 27 . N parsed_1o4x 2
90 . . . . . . . . . . . . . . . . 14.836 . . . . . 29 . C . 30 . N parsed_1o4x 2
91 . . . . . . . . . . . . . . . . 21.308 . . . . . 33 . C . 34 . N parsed_1o4x 2
92 . . . . . . . . . . . . . . . . -10.063 . . . . . 39 . C . 40 . N parsed_1o4x 2
93 . . . . . . . . . . . . . . . . 6.023 . . . . . 42 . C . 43 . N parsed_1o4x 2
94 . . . . . . . . . . . . . . . . -0.108 . . . . . 53 . C . 54 . N parsed_1o4x 2
95 . . . . . . . . . . . . . . . . 1.258 . . . . . 55 . C . 56 . N parsed_1o4x 2
96 . . . . . . . . . . . . . . . . -13.186 . . . . . 56 . C . 57 . N parsed_1o4x 2
97 . . . . . . . . . . . . . . . . 14.161 . . . . . 57 . C . 58 . N parsed_1o4x 2
98 . . . . . . . . . . . . . . . . -13.836 . . . . . 59 . C . 60 . N parsed_1o4x 2
99 . . . . . . . . . . . . . . . . 5.398 . . . . . 60 . C . 61 . N parsed_1o4x 2
100 . . . . . . . . . . . . . . . . -2.582 . . . . . 61 . C . 62 . N parsed_1o4x 2
101 . . . . . . . . . . . . . . . . 13.878 . . . . . 63 . C . 64 . N parsed_1o4x 2
102 . . . . . . . . . . . . . . . . -8.513 . . . . . 64 . C . 65 . N parsed_1o4x 2
103 . . . . . . . . . . . . . . . . 13.595 . . . . . 65 . C . 66 . N parsed_1o4x 2
104 . . . . . . . . . . . . . . . . -14.661 . . . . . 66 . C . 67 . N parsed_1o4x 2
105 . . . . . . . . . . . . . . . . 3.748 . . . . . 69 . C . 70 . N parsed_1o4x 2
106 . . . . . . . . . . . . . . . . -8.988 . . . . . 71 . C . 72 . N parsed_1o4x 2
107 . . . . . . . . . . . . . . . . -17.776 . . . . . 75 . C . 76 . N parsed_1o4x 2
108 . . . . . . . . . . . . . . . . 20.025 . . . . . 76 . C . 77 . N parsed_1o4x 2
109 . . . . . . . . . . . . . . . . 2.449 . . . . . 77 . C . 78 . N parsed_1o4x 2
110 . . . . . . . . . . . . . . . . 16.252 . . . . . 111 . C . 112 . N parsed_1o4x 2
111 . . . . . . . . . . . . . . . . 21.791 . . . . . 113 . C . 114 . N parsed_1o4x 2
112 . . . . . . . . . . . . . . . . -3.307 . . . . . 114 . C . 115 . N parsed_1o4x 2
113 . . . . . . . . . . . . . . . . 13.678 . . . . . 115 . C . 116 . N parsed_1o4x 2
114 . . . . . . . . . . . . . . . . -9.438 . . . . . 116 . C . 117 . N parsed_1o4x 2
115 . . . . . . . . . . . . . . . . 18.401 . . . . . 117 . C . 118 . N parsed_1o4x 2
116 . . . . . . . . . . . . . . . . 0.816 . . . . . 118 . C . 119 . N parsed_1o4x 2
117 . . . . . . . . . . . . . . . . 12.695 . . . . . 120 . C . 121 . N parsed_1o4x 2
118 . . . . . . . . . . . . . . . . 8.322 . . . . . 121 . C . 122 . N parsed_1o4x 2
119 . . . . . . . . . . . . . . . . 12.862 . . . . . 122 . C . 123 . N parsed_1o4x 2
120 . . . . . . . . . . . . . . . . -13.528 . . . . . 123 . C . 124 . N parsed_1o4x 2
121 . . . . . . . . . . . . . . . . 20.242 . . . . . 124 . C . 125 . N parsed_1o4x 2
122 . . . . . . . . . . . . . . . . 19.967 . . . . . 126 . C . 127 . N parsed_1o4x 2
123 . . . . . . . . . . . . . . . . -6.181 . . . . . 127 . C . 128 . N parsed_1o4x 2
124 . . . . . . . . . . . . . . . . 4.298 . . . . . 129 . C . 130 . N parsed_1o4x 2
125 . . . . . . . . . . . . . . . . 9.021 . . . . . 133 . C . 134 . N parsed_1o4x 2
126 . . . . . . . . . . . . . . . . 2.649 . . . . . 134 . C . 135 . N parsed_1o4x 2
127 . . . . . . . . . . . . . . . . -1.799 . . . . . 135 . C . 136 . N parsed_1o4x 2
128 . . . . . . . . . . . . . . . . 20.858 . . . . . 136 . C . 137 . N parsed_1o4x 2
129 . . . . . . . . . . . . . . . . 3.807 . . . . . 138 . C . 139 . N parsed_1o4x 2
130 . . . . . . . . . . . . . . . . 9.346 . . . . . 139 . C . 140 . N parsed_1o4x 2
131 . . . . . . . . . . . . . . . . 14.561 . . . . . 140 . C . 141 . N parsed_1o4x 2
132 . . . . . . . . . . . . . . . . -2.599 . . . . . 142 . C . 143 . N parsed_1o4x 2
133 . . . . . . . . . . . . . . . . 5.606 . . . . . 143 . C . 144 . N parsed_1o4x 2
134 . . . . . . . . . . . . . . . . -13.869 . . . . . 144 . C . 145 . N parsed_1o4x 2
135 . . . . . . . . . . . . . . . . 3.040 . . . . . 145 . C . 146 . N parsed_1o4x 2
136 . . . . . . . . . . . . . . . . 5.181 . . . . . 147 . C . 148 . N parsed_1o4x 2
137 . . . . . . . . . . . . . . . . -17.093 . . . . . 148 . C . 149 . N parsed_1o4x 2
138 . . . . . . . . . . . . . . . . -2.749 . . . . . 149 . C . 150 . N parsed_1o4x 2
139 . . . . . . . . . . . . . . . . -8.863 . . . . . 151 . C . 152 . N parsed_1o4x 2
140 . . . . . . . . . . . . . . . . -4.690 . . . . . 152 . C . 153 . N parsed_1o4x 2
141 . . . . . . . . . . . . . . . . -18.193 . . . . . 155 . C . 156 . N parsed_1o4x 2
142 . . . . . . . . . . . . . . . . 6.997 . . . . . 158 . C . 159 . N parsed_1o4x 2
143 . . . . . . . . . . . . . . . . -1.358 . . . . . 159 . C . 160 . N parsed_1o4x 2
144 . . . . . . . . . . . . . . . . 7.661 . . . . . 8 . C . 8 . CA parsed_1o4x 2
145 . . . . . . . . . . . . . . . . -17.036 . . . . . 9 . C . 9 . CA parsed_1o4x 2
146 . . . . . . . . . . . . . . . . -7.286 . . . . . 10 . C . 10 . CA parsed_1o4x 2
147 . . . . . . . . . . . . . . . . 13.233 . . . . . 12 . C . 12 . CA parsed_1o4x 2
148 . . . . . . . . . . . . . . . . -24.483 . . . . . 13 . C . 13 . CA parsed_1o4x 2
149 . . . . . . . . . . . . . . . . -11.840 . . . . . 14 . C . 14 . CA parsed_1o4x 2
150 . . . . . . . . . . . . . . . . 19.286 . . . . . 15 . C . 15 . CA parsed_1o4x 2
151 . . . . . . . . . . . . . . . . -18.001 . . . . . 17 . C . 17 . CA parsed_1o4x 2
152 . . . . . . . . . . . . . . . . 7.072 . . . . . 18 . C . 18 . CA parsed_1o4x 2
153 . . . . . . . . . . . . . . . . 15.804 . . . . . 19 . C . 19 . CA parsed_1o4x 2
154 . . . . . . . . . . . . . . . . -27.376 . . . . . 20 . C . 20 . CA parsed_1o4x 2
155 . . . . . . . . . . . . . . . . -7.125 . . . . . 21 . C . 21 . CA parsed_1o4x 2
156 . . . . . . . . . . . . . . . . 13.018 . . . . . 22 . C . 22 . CA parsed_1o4x 2
157 . . . . . . . . . . . . . . . . 8.679 . . . . . 23 . C . 23 . CA parsed_1o4x 2
158 . . . . . . . . . . . . . . . . 19.554 . . . . . 26 . C . 26 . CA parsed_1o4x 2
159 . . . . . . . . . . . . . . . . -6.804 . . . . . 27 . C . 27 . CA parsed_1o4x 2
160 . . . . . . . . . . . . . . . . 2.197 . . . . . 28 . C . 28 . CA parsed_1o4x 2
161 . . . . . . . . . . . . . . . . 5.143 . . . . . 29 . C . 29 . CA parsed_1o4x 2
162 . . . . . . . . . . . . . . . . -22.715 . . . . . 30 . C . 30 . CA parsed_1o4x 2
163 . . . . . . . . . . . . . . . . 15.268 . . . . . 31 . C . 31 . CA parsed_1o4x 2
164 . . . . . . . . . . . . . . . . 10.018 . . . . . 50 . C . 50 . CA parsed_1o4x 2
165 . . . . . . . . . . . . . . . . 3.268 . . . . . 51 . C . 51 . CA parsed_1o4x 2
166 . . . . . . . . . . . . . . . . -1.339 . . . . . 52 . C . 52 . CA parsed_1o4x 2
167 . . . . . . . . . . . . . . . . 1.446 . . . . . 53 . C . 53 . CA parsed_1o4x 2
168 . . . . . . . . . . . . . . . . -13.822 . . . . . 58 . C . 58 . CA parsed_1o4x 2
169 . . . . . . . . . . . . . . . . -9.161 . . . . . 59 . C . 59 . CA parsed_1o4x 2
170 . . . . . . . . . . . . . . . . 3.322 . . . . . 60 . C . 60 . CA parsed_1o4x 2
171 . . . . . . . . . . . . . . . . 0.750 . . . . . 61 . C . 61 . CA parsed_1o4x 2
172 . . . . . . . . . . . . . . . . -8.679 . . . . . 64 . C . 64 . CA parsed_1o4x 2
173 . . . . . . . . . . . . . . . . 9.268 . . . . . 65 . C . 65 . CA parsed_1o4x 2
174 . . . . . . . . . . . . . . . . 12.215 . . . . . 69 . C . 69 . CA parsed_1o4x 2
175 . . . . . . . . . . . . . . . . -17.572 . . . . . 73 . C . 73 . CA parsed_1o4x 2
176 . . . . . . . . . . . . . . . . 14.465 . . . . . 76 . C . 76 . CA parsed_1o4x 2
177 . . . . . . . . . . . . . . . . -25.126 . . . . . 77 . C . 77 . CA parsed_1o4x 2
178 . . . . . . . . . . . . . . . . 7.340 . . . . . 110 . C . 110 . CA parsed_1o4x 2
179 . . . . . . . . . . . . . . . . -22.983 . . . . . 111 . C . 111 . CA parsed_1o4x 2
180 . . . . . . . . . . . . . . . . -0.161 . . . . . 113 . C . 113 . CA parsed_1o4x 2
181 . . . . . . . . . . . . . . . . -26.572 . . . . . 114 . C . 114 . CA parsed_1o4x 2
182 . . . . . . . . . . . . . . . . 18.858 . . . . . 115 . C . 115 . CA parsed_1o4x 2
183 . . . . . . . . . . . . . . . . 1.714 . . . . . 116 . C . 116 . CA parsed_1o4x 2
184 . . . . . . . . . . . . . . . . 6.750 . . . . . 119 . C . 119 . CA parsed_1o4x 2
185 . . . . . . . . . . . . . . . . 6.857 . . . . . 120 . C . 120 . CA parsed_1o4x 2
186 . . . . . . . . . . . . . . . . -27.376 . . . . . 121 . C . 121 . CA parsed_1o4x 2
187 . . . . . . . . . . . . . . . . 17.251 . . . . . 122 . C . 122 . CA parsed_1o4x 2
188 . . . . . . . . . . . . . . . . 3.750 . . . . . 123 . C . 123 . CA parsed_1o4x 2
189 . . . . . . . . . . . . . . . . 3.643 . . . . . 126 . C . 126 . CA parsed_1o4x 2
190 . . . . . . . . . . . . . . . . -10.661 . . . . . 127 . C . 127 . CA parsed_1o4x 2
191 . . . . . . . . . . . . . . . . -6.375 . . . . . 129 . C . 129 . CA parsed_1o4x 2
192 . . . . . . . . . . . . . . . . -14.947 . . . . . 133 . C . 133 . CA parsed_1o4x 2
193 . . . . . . . . . . . . . . . . 10.661 . . . . . 134 . C . 134 . CA parsed_1o4x 2
194 . . . . . . . . . . . . . . . . -20.733 . . . . . 136 . C . 136 . CA parsed_1o4x 2
195 . . . . . . . . . . . . . . . . -19.983 . . . . . 140 . C . 140 . CA parsed_1o4x 2
196 . . . . . . . . . . . . . . . . -24.483 . . . . . 143 . C . 143 . CA parsed_1o4x 2
197 . . . . . . . . . . . . . . . . 17.143 . . . . . 145 . C . 145 . CA parsed_1o4x 2
198 . . . . . . . . . . . . . . . . -8.304 . . . . . 148 . C . 148 . CA parsed_1o4x 2
199 . . . . . . . . . . . . . . . . 18.751 . . . . . 149 . C . 149 . CA parsed_1o4x 2
200 . . . . . . . . . . . . . . . . -0.375 . . . . . 151 . C . 151 . CA parsed_1o4x 2
201 . . . . . . . . . . . . . . . . -3.964 . . . . . 155 . C . 155 . CA parsed_1o4x 2
202 . . . . . . . . . . . . . . . . 3.750 . . . . . 158 . C . 158 . CA parsed_1o4x 2
203 . . . . . . . . . . . . . . . . 12.054 . . . . . 159 . C . 159 . CA parsed_1o4x 2
204 . . . . . . . . . . . . . . . . 1.982 . . . . . 160 . C . 160 . CA parsed_1o4x 2
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
2. NOE-DERIVED INTERPROTON DISTANCE RESTRAINTS.
A. SOX2/POUHD INTERFACE
;
save_
save_CNS/XPLOR_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1o4x
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1o4x 1
2 1 . . . parsed_1o4x 1
3 1 . . . parsed_1o4x 1
4 1 . . . parsed_1o4x 1
5 1 . . . parsed_1o4x 1
6 1 . . . parsed_1o4x 1
7 1 . . . parsed_1o4x 1
8 1 . . . parsed_1o4x 1
9 1 . . . parsed_1o4x 1
10 1 . . . parsed_1o4x 1
11 1 . . . parsed_1o4x 1
12 1 . . . parsed_1o4x 1
13 1 . . . parsed_1o4x 1
14 1 . . . parsed_1o4x 1
15 1 . . . parsed_1o4x 1
16 1 . . . parsed_1o4x 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
1 1 2 . . . . . . . . . 22 . HA parsed_1o4x 1
2 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
2 1 2 . . . . . . . . . 25 . HD# parsed_1o4x 1
3 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
3 1 2 . . . . . . . . . 25 . HG2# parsed_1o4x 1
4 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
4 1 2 . . . . . . . . . 25 . HA parsed_1o4x 1
5 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
5 1 2 . . . . . . . . . 21 . HB# parsed_1o4x 1
5 1 2 . . . . . . . . . 25 . HB parsed_1o4x 1
6 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
6 1 2 . . . . . . . . . 25 . HG1# parsed_1o4x 1
7 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
7 1 2 . . . . . . . . . 21 . HA parsed_1o4x 1
8 1 1 . . . . . . . . . 269 . HE# parsed_1o4x 1
8 1 2 . . . . . . . . . 21 . HE# parsed_1o4x 1
9 1 1 . . . . . . . . . 269 . HG# parsed_1o4x 1
9 1 2 . . . . . . . . . 25 . HD# parsed_1o4x 1
10 1 1 . . . . . . . . . 269 . HG# parsed_1o4x 1
10 1 2 . . . . . . . . . 25 . HG2# parsed_1o4x 1
11 1 1 . . . . . . . . . 269 . HG# parsed_1o4x 1
11 1 2 . . . . . . . . . 22 . HA parsed_1o4x 1
12 1 1 . . . . . . . . . 266 . HB# parsed_1o4x 1
12 1 2 . . . . . . . . . 25 . HD# parsed_1o4x 1
13 1 1 . . . . . . . . . 266 . HB# parsed_1o4x 1
13 1 2 . . . . . . . . . 25 . HG2# parsed_1o4x 1
14 1 1 . . . . . . . . . 266 . HB# parsed_1o4x 1
14 1 2 . . . . . . . . . 26 . HA parsed_1o4x 1
15 1 1 . . . . . . . . . 270 . HE# parsed_1o4x 1
15 1 1 . . . . . . . . . 276 . HE# parsed_1o4x 1
15 1 2 . . . . . . . . . 56 . HA parsed_1o4x 1
16 1 1 . . . . . . . . . 262 . HE# parsed_1o4x 1
16 1 1 . . . . . . . . . 270 . HE# parsed_1o4x 1
16 1 1 . . . . . . . . . 276 . HE# parsed_1o4x 1
16 1 2 . . . . . . . . . 30 . HG2# parsed_1o4x 1
16 1 2 . . . . . . . . . 56 . HB# parsed_1o4x 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.8 parsed_1o4x 1
2 1 . . . . . 2.5 1.8 3.7 parsed_1o4x 1
3 1 . . . . . 2.5 1.8 3.7 parsed_1o4x 1
4 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
5 1 . . . . . 3.0 1.8 3.8 parsed_1o4x 1
6 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
7 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
8 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
9 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
10 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
11 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 1
12 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
13 1 . . . . . 3.0 1.8 3.8 parsed_1o4x 1
14 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 1
15 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 1
16 1 . . . . . 3.0 1.8 3.5 parsed_1o4x 1
stop_
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 "ALA 266" 15 1 16 10 parsed_1o4x 1
2 "LYS 276" 20 1 22 2 parsed_1o4x 1
stop_
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
B. SOX2/DNA INTERFACE
;
save_
save_CNS/XPLOR_distance_constraints_9
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1o4x
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 9
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1o4x 2
2 1 . . . parsed_1o4x 2
3 1 . . . parsed_1o4x 2
4 1 . . . parsed_1o4x 2
5 1 . . . parsed_1o4x 2
6 1 . . . parsed_1o4x 2
7 1 . . . parsed_1o4x 2
8 1 . . . parsed_1o4x 2
9 1 . . . parsed_1o4x 2
10 1 . . . parsed_1o4x 2
11 1 . . . parsed_1o4x 2
12 1 . . . parsed_1o4x 2
13 1 . . . parsed_1o4x 2
14 1 . . . parsed_1o4x 2
15 1 . . . parsed_1o4x 2
16 1 . . . parsed_1o4x 2
17 1 . . . parsed_1o4x 2
18 1 . . . parsed_1o4x 2
19 1 . . . parsed_1o4x 2
20 1 . . . parsed_1o4x 2
21 1 . . . parsed_1o4x 2
22 1 . . . parsed_1o4x 2
23 1 . . . parsed_1o4x 2
24 1 . . . parsed_1o4x 2
25 1 . . . parsed_1o4x 2
26 1 . . . parsed_1o4x 2
27 1 . . . parsed_1o4x 2
28 1 . . . parsed_1o4x 2
29 1 . . . parsed_1o4x 2
30 1 . . . parsed_1o4x 2
31 1 . . . parsed_1o4x 2
32 1 . . . parsed_1o4x 2
33 1 . . . parsed_1o4x 2
34 1 . . . parsed_1o4x 2
35 1 . . . parsed_1o4x 2
36 1 . . . parsed_1o4x 2
37 1 . . . parsed_1o4x 2
38 1 . . . parsed_1o4x 2
39 1 . . . parsed_1o4x 2
40 1 . . . parsed_1o4x 2
41 1 . . . parsed_1o4x 2
42 1 . . . parsed_1o4x 2
43 1 . . . parsed_1o4x 2
44 1 . . . parsed_1o4x 2
45 1 . . . parsed_1o4x 2
46 1 . . . parsed_1o4x 2
47 1 . . . parsed_1o4x 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 209 . HB# parsed_1o4x 2
1 1 2 . . . . . . . . . 332 . H3' parsed_1o4x 2
2 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 2
2 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 2
3 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 2
3 1 2 . . . . . . . . . 333 . H5' parsed_1o4x 2
3 1 2 . . . . . . . . . 333 . H5'' parsed_1o4x 2
4 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 2
4 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 2
5 1 1 . . . . . . . . . 212 . HE# parsed_1o4x 2
5 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 2
6 1 1 . . . . . . . . . 212 . HA parsed_1o4x 2
6 1 2 . . . . . . . . . 332 . H1' parsed_1o4x 2
7 1 1 . . . . . . . . . 213 . HB# parsed_1o4x 2
7 1 2 . . . . . . . . . 308 . H4' parsed_1o4x 2
8 1 1 . . . . . . . . . 213 . HB# parsed_1o4x 2
8 1 2 . . . . . . . . . 309 . H4' parsed_1o4x 2
9 1 1 . . . . . . . . . 214 . HB# parsed_1o4x 2
9 1 2 . . . . . . . . . 308 . H4' parsed_1o4x 2
10 1 1 . . . . . . . . . 214 . HB# parsed_1o4x 2
10 1 2 . . . . . . . . . 308 . H5' parsed_1o4x 2
10 1 2 . . . . . . . . . 308 . H5'' parsed_1o4x 2
11 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
11 1 2 . . . . . . . . . 333 . H2 parsed_1o4x 2
12 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
12 1 2 . . . . . . . . . 332 . H2 parsed_1o4x 2
13 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
13 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 2
14 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
14 1 2 . . . . . . . . . 332 . H1' parsed_1o4x 2
15 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
15 1 2 . . . . . . . . . 332 . H2' parsed_1o4x 2
16 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
16 1 2 . . . . . . . . . 332 . H2'' parsed_1o4x 2
17 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
17 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 2
18 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
18 1 2 . . . . . . . . . 333 . H5' parsed_1o4x 2
18 1 2 . . . . . . . . . 333 . H5'' parsed_1o4x 2
19 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
19 1 2 . . . . . . . . . 333 . H8 parsed_1o4x 2
20 1 1 . . . . . . . . . 216 . HE# parsed_1o4x 2
20 1 2 . . . . . . . . . 332 . H8 parsed_1o4x 2
21 1 1 . . . . . . . . . 216 . HA parsed_1o4x 2
21 1 2 . . . . . . . . . 332 . H2 parsed_1o4x 2
22 1 1 . . . . . . . . . 216 . HB# parsed_1o4x 2
22 1 2 . . . . . . . . . 332 . H2 parsed_1o4x 2
23 1 1 . . . . . . . . . 216 . he# parsed_1o4x 2
23 1 2 . . . . . . . . . 307 . h3 parsed_1o4x 2
24 1 1 . . . . . . . . . 216 . he# parsed_1o4x 2
24 1 2 . . . . . . . . . 306 . h3 parsed_1o4x 2
25 1 1 . . . . . . . . . 220 . HD# parsed_1o4x 2
25 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 2
26 1 1 . . . . . . . . . 220 . HD# parsed_1o4x 2
26 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 2
27 1 1 . . . . . . . . . 220 . HD# parsed_1o4x 2
27 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 2
28 1 1 . . . . . . . . . 220 . HB# parsed_1o4x 2
28 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 2
28 1 2 . . . . . . . . . 334 . H1' parsed_1o4x 2
29 1 1 . . . . . . . . . 220 . HB# parsed_1o4x 2
29 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 2
29 1 2 . . . . . . . . . 334 . H3' parsed_1o4x 2
30 1 1 . . . . . . . . . 220 . HB# parsed_1o4x 2
30 1 2 . . . . . . . . . 334 . H4' parsed_1o4x 2
31 1 1 . . . . . . . . . 220 . HA parsed_1o4x 2
31 1 2 . . . . . . . . . 333 . H1' parsed_1o4x 2
31 1 2 . . . . . . . . . 334 . H1' parsed_1o4x 2
32 1 1 . . . . . . . . . 220 . HG# parsed_1o4x 2
32 1 2 . . . . . . . . . 333 . H4' parsed_1o4x 2
33 1 1 . . . . . . . . . 220 . HG# parsed_1o4x 2
33 1 2 . . . . . . . . . 333 . H3' parsed_1o4x 2
34 1 1 . . . . . . . . . 238 . HG2# parsed_1o4x 2
34 1 2 . . . . . . . . . 334 . H1' parsed_1o4x 2
35 1 1 . . . . . . . . . 238 . HD1# parsed_1o4x 2
35 1 2 . . . . . . . . . 334 . H2 parsed_1o4x 2
36 1 1 . . . . . . . . . 240 . HA parsed_1o4x 2
36 1 2 . . . . . . . . . 306 . H4' parsed_1o4x 2
37 1 1 . . . . . . . . . 240 . HB# parsed_1o4x 2
37 1 2 . . . . . . . . . 306 . H4' parsed_1o4x 2
38 1 1 . . . . . . . . . 246 . HD1 parsed_1o4x 2
38 1 2 . . . . . . . . . 307 . H5' parsed_1o4x 2
38 1 2 . . . . . . . . . 307 . H5'' parsed_1o4x 2
39 1 1 . . . . . . . . . 246 . HD1 parsed_1o4x 2
39 1 2 . . . . . . . . . 307 . H4' parsed_1o4x 2
40 1 1 . . . . . . . . . 246 . HZ2 parsed_1o4x 2
40 1 2 . . . . . . . . . 308 . H4' parsed_1o4x 2
40 1 2 . . . . . . . . . 308 . H5' parsed_1o4x 2
40 1 2 . . . . . . . . . 308 . H5'' parsed_1o4x 2
41 1 1 . . . . . . . . . 247 . HA parsed_1o4x 2
41 1 2 . . . . . . . . . 307 . H4' parsed_1o4x 2
42 1 1 . . . . . . . . . 277 . HE* parsed_1o4x 2
42 1 2 . . . . . . . . . 330 . H2 parsed_1o4x 2
43 1 1 . . . . . . . . . 277 . HD* parsed_1o4x 2
43 1 2 . . . . . . . . . 330 . H2 parsed_1o4x 2
44 1 1 . . . . . . . . . 279 . HB# parsed_1o4x 2
44 1 2 . . . . . . . . . 330 . H4' parsed_1o4x 2
45 1 1 . . . . . . . . . 279 . HB# parsed_1o4x 2
45 1 2 . . . . . . . . . 330 . H1' parsed_1o4x 2
46 1 1 . . . . . . . . . 281 . HA parsed_1o4x 2
46 1 2 . . . . . . . . . 330 . H3' parsed_1o4x 2
47 1 1 . . . . . . . . . 265 . nh* parsed_1o4x 2
47 1 2 . . . . . . . . . 309 . o*p parsed_1o4x 2
47 1 2 . . . . . . . . . 310 . o*p parsed_1o4x 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 4.0 2.8 5.0 parsed_1o4x 2
2 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
3 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
4 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
5 1 . . . . . 4.0 1.8 6.5 parsed_1o4x 2
6 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
7 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
8 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 2
9 1 . . . . . 4.0 1.8 6.5 parsed_1o4x 2
10 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
11 1 . . . . . 3.0 1.8 4.0 parsed_1o4x 2
12 1 . . . . . 3.0 1.8 4.0 parsed_1o4x 2
13 1 . . . . . 3.0 1.8 4.0 parsed_1o4x 2
14 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
15 1 . . . . . 3.0 1.8 3.5 parsed_1o4x 2
16 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
17 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
18 1 . . . . . 4.0 1.8 6.5 parsed_1o4x 2
19 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
20 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
21 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 2
22 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
23 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 2
24 1 . . . . . 3.0 1.8 4.5 parsed_1o4x 2
25 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
26 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 2
27 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
28 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 2
29 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 2
30 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
31 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 2
32 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
33 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
34 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 2
35 1 . . . . . 4.0 1.8 7.5 parsed_1o4x 2
36 1 . . . . . 2.5 1.8 2.7 parsed_1o4x 2
37 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
38 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
39 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
40 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
41 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
42 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
43 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 2
44 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
45 1 . . . . . 4.0 1.8 5.0 parsed_1o4x 2
46 1 . . . . . 4.0 1.8 6.0 parsed_1o4x 2
47 1 . . . . . 6.0 2.0 6.1 parsed_1o4x 2
stop_
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 "LYS 209" 1 1 2 10 parsed_1o4x 2
2 "MET 212" 4 1 5 10 parsed_1o4x 2
3 "ASN 213" 11 1 12 9 parsed_1o4x 2
4 "ALA 214" 15 1 16 9 parsed_1o4x 2
5 "MET 216" 19 1 20 9 parsed_1o4x 2
6 "ARG 220" 36 1 37 9 parsed_1o4x 2
7
;
ARG 223
ARG 224
ILE 238
;
47 1 51 9 parsed_1o4x 2
8 "LYS 240" 54 1 55 9 parsed_1o4x 2
9 "TRP 246" 58 1 59 9 parsed_1o4x 2
10 "LYS 247" 63 1 64 9 parsed_1o4x 2
11 "TYR 277" 66 1 67 9 parsed_1o4x 2
12 "PRO 279" 70 1 71 9 parsed_1o4x 2
13 "ARG 281" 74 1 75 10 parsed_1o4x 2
14 R265 81 1 81 6 parsed_1o4x 2
stop_
save_
save_MR_file_comment_10
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 10
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "C. POUHD/DNA INTERFACE"
save_
save_CNS/XPLOR_distance_constraints_11
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1o4x
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 11
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1o4x 3
2 1 . . . parsed_1o4x 3
3 1 . . . parsed_1o4x 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 150 . hg* parsed_1o4x 3
1 1 2 . . . . . . . . . 317 . h8 parsed_1o4x 3
2 1 1 . . . . . . . . . 150 . hg* parsed_1o4x 3
2 1 2 . . . . . . . . . 316 . h2' parsed_1o4x 3
2 1 2 . . . . . . . . . 317 . h2' parsed_1o4x 3
3 1 1 . . . . . . . . . 150 . hg* parsed_1o4x 3
3 1 2 . . . . . . . . . 316 . h2'' parsed_1o4x 3
3 1 2 . . . . . . . . . 317 . h2'' parsed_1o4x 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.8 parsed_1o4x 3
2 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 3
3 1 . . . . . 4.0 1.8 5.5 parsed_1o4x 3
stop_
save_
save_MR_file_comment_12
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 12
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
3. EXPERIMENTAL TORSION ANGLE RESTRAINTS
A. SOX2/POUS INTERFACE
;
save_
save_CNS/XPLOR_dihedral_13
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 13
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 274 . n . 274 . ca . 274 . cb . 274 . cg parsed_1o4x 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 269 . n . 269 . ca . 269 . cb . 269 . cg parsed_1o4x 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 269 . ca . 269 . cb . 269 . cg . 269 . sd parsed_1o4x 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . . 269 . cb . 269 . cg . 269 . sd . 269 . ce parsed_1o4x 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 262 . n . 262 . ca . 262 . cb . 262 . cg parsed_1o4x 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 262 . ca . 262 . cb . 262 . cg . 262 . cd parsed_1o4x 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 276 . n . 276 . ca . 276 . cb . 276 . cg parsed_1o4x 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 276 . ca . 276 . cb . 276 . cg . 276 . cd parsed_1o4x 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 265 . n . 265 . ca . 265 . cb . 265 . cg parsed_1o4x 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 265 . ca . 265 . cb . 265 . cg . 265 . cd parsed_1o4x 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 270 . n . 270 . ca . 270 . cb . 270 . cg parsed_1o4x 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . n . 25 . ca . 25 . cb . 25 . cg1 parsed_1o4x 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 25 . ca . 25 . cb . 25 . cg1 . 25 . cd1 parsed_1o4x 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1o4x 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1o4x 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1o4x 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 80.0 . . 18 . ca . 18 . cb . 18 . cg . 18 . cd parsed_1o4x 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 30 . n . 30 . ca . 30 . cb . 30 . og1 parsed_1o4x 1
stop_
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 D274 1 1 1 6 parsed_1o4x 1
2 Met269 5 1 5 8 parsed_1o4x 1
3 K262 13 1 13 6 parsed_1o4x 1
4 K276 20 1 20 6 parsed_1o4x 1
5 R265 27 1 27 6 parsed_1o4x 1
6 K270 34 1 34 6 parsed_1o4x 1
7 I25 40 1 40 5 parsed_1o4x 1
8 Q22 47 1 47 5 parsed_1o4x 1
9 K21 52 1 52 5 parsed_1o4x 1
10 K18 57 1 57 5 parsed_1o4x 1
11 T30 64 1 64 5 parsed_1o4x 1
stop_
save_
save_MR_file_comment_14
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 8
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 14
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
B. SOX2/DNA INTERFACE
;
save_
save_CNS/XPLOR_dihedral_15
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 15
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 216 . n . 216 . ca . 216 . cb . 216 . cg parsed_1o4x 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 216 . ca . 216 . cb . 216 . cg . 216 . sd parsed_1o4x 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 216 . cb . 216 . cg . 216 . sd . 216 . ce parsed_1o4x 2
stop_
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 "M216 (=I13 SRY)" 1 1 1 17 parsed_1o4x 2
stop_
save_
save_MR_file_comment_16
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 9
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 16
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
4. DISTANCE RESTRAINTS AT POUS/DNA AND POUHD/DNA INTERFACE TO PRESERVE
ELECTROSTATIC INTERACTIONS WITH PHOSPHATES AND BASES SEEN IN BINARY
OCT1/DNA COMPLEXES
A. POUS
;
save_
save_CNS/XPLOR_distance_constraints_17
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1o4x
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 17
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1o4x 4
2 1 . . . parsed_1o4x 4
3 1 . . . parsed_1o4x 4
4 1 . . . parsed_1o4x 4
5 1 . . . parsed_1o4x 4
6 1 . . . parsed_1o4x 4
7 1 . . . parsed_1o4x 4
8 1 . . . parsed_1o4x 4
9 1 . . . parsed_1o4x 4
10 1 . . . parsed_1o4x 4
11 1 . . . parsed_1o4x 4
12 1 . . . parsed_1o4x 4
13 1 . . . parsed_1o4x 4
14 1 . . . parsed_1o4x 4
15 1 . . . parsed_1o4x 4
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 48 . oe1 parsed_1o4x 4
1 1 2 . . . . . . . . . 311 . n6 parsed_1o4x 4
2 1 1 . . . . . . . . . 48 . ne2 parsed_1o4x 4
2 1 2 . . . . . . . . . 311 . n7 parsed_1o4x 4
3 1 1 . . . . . . . . . 31 . ne2 parsed_1o4x 4
3 1 2 . . . . . . . . . 311 . o*p parsed_1o4x 4
4 1 1 . . . . . . . . . 52 . og parsed_1o4x 4
4 1 2 . . . . . . . . . 311 . o*P parsed_1o4x 4
5 1 1 . . . . . . . . . 58 . nd2 parsed_1o4x 4
5 1 2 . . . . . . . . . 312 . o*p parsed_1o4x 4
6 1 1 . . . . . . . . . 24 . nh* parsed_1o4x 4
6 1 2 . . . . . . . . . 310 . o*p parsed_1o4x 4
7 1 1 . . . . . . . . . 30 . og1 parsed_1o4x 4
7 1 2 . . . . . . . . . 309 . o*p parsed_1o4x 4
8 1 1 . . . . . . . . . 21 . nz parsed_1o4x 4
8 1 2 . . . . . . . . . 311 . o*P parsed_1o4x 4
9 1 1 . . . . . . . . . 62 . nz parsed_1o4x 4
9 1 2 . . . . . . . . . 322:323 . o*p parsed_1o4x 4
10 1 1 . . . . . . . . . 63 . nd2 parsed_1o4x 4
10 1 2 . . . . . . . . . 324 . o*p parsed_1o4x 4
11 1 1 . . . . . . . . . 50 . og1 parsed_1o4x 4
11 1 2 . . . . . . . . . 325 . o*P parsed_1o4x 4
12 1 1 . . . . . . . . . 53 . nh2 parsed_1o4x 4
12 1 2 . . . . . . . . . 325 . n7 parsed_1o4x 4
13 1 1 . . . . . . . . . 53 . nh1 parsed_1o4x 4
13 1 2 . . . . . . . . . 325 . o6 parsed_1o4x 4
14 1 1 . . . . . . . . . 49 . og1 parsed_1o4x 4
14 1 2 . . . . . . . . . 326 . n4 parsed_1o4x 4
15 1 1 . . . . . . . . . 66 . nz parsed_1o4x 4
15 1 2 . . . . . . . . . 324 . o*p parsed_1o4x 4
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.5 3.0 3.9 parsed_1o4x 4
2 1 . . . . . 3.5 3.0 3.9 parsed_1o4x 4
3 1 . . . . . 5.0 2.0 5.1 parsed_1o4x 4
4 1 . . . . . 5.0 2.0 5.1 parsed_1o4x 4
5 1 . . . . . 5.0 2.0 5.1 parsed_1o4x 4
6 1 . . . . . 4.0 1.0 4.1 parsed_1o4x 4
7 1 . . . . . 5.0 2.0 5.5 parsed_1o4x 4
8 1 . . . . . 6.0 2.0 6.5 parsed_1o4x 4
9 1 . . . . . 6.0 3.0 6.1 parsed_1o4x 4
10 1 . . . . . 5.0 2.0 5.1 parsed_1o4x 4
11 1 . . . . . 3.5 3.0 3.6 parsed_1o4x 4
12 1 . . . . . 3.5 3.0 3.8 parsed_1o4x 4
13 1 . . . . . 3.5 3.0 3.8 parsed_1o4x 4
14 1 . . . . . 3.5 3.0 3.8 parsed_1o4x 4
15 1 . . . . . 6.0 3.0 6.1 parsed_1o4x 4
stop_
save_
save_MR_file_comment_18
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 10
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 18
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "B. POUHD"
save_
save_CNS/XPLOR_distance_constraints_19
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1o4x
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 19
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1o4x 5
2 1 . . . parsed_1o4x 5
3 1 . . . parsed_1o4x 5
4 1 . . . parsed_1o4x 5
5 1 . . . parsed_1o4x 5
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 154 . nd2 parsed_1o4x 5
1 1 2 . . . . . . . . . 317 . n7 parsed_1o4x 5
2 1 1 . . . . . . . . . 154 . od1 parsed_1o4x 5
2 1 2 . . . . . . . . . 317 . n6 parsed_1o4x 5
3 1 1 . . . . . . . . . 157 . oe1 parsed_1o4x 5
3 1 2 . . . . . . . . . 321 . n6 parsed_1o4x 5
4 1 1 . . . . . . . . . 116 . nh* parsed_1o4x 5
4 1 2 . . . . . . . . . 315:316 . o*p parsed_1o4x 5
5 1 1 . . . . . . . . . 158 . nz parsed_1o4x 5
5 1 2 . . . . . . . . . 315:316 . o*p parsed_1o4x 5
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 2.5 3.5 parsed_1o4x 5
2 1 . . . . . 3.0 2.5 3.5 parsed_1o4x 5
3 1 . . . . . 3.0 2.5 3.8 parsed_1o4x 5
4 1 . . . . . 6.0 2.0 6.1 parsed_1o4x 5
5 1 . . . . . 6.0 2.0 6.1 parsed_1o4x 5
stop_
save_
save_MR_file_comment_20
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 11
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 20
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
5. TORSION ANGLE RESTRAINTS FOR PROTEIN/DNA INTERFACIAL SIDECHAINS
RESTRAINED TO WITHIN A RANGE OF +/-20 DEGREES OF THAT SEEN IN RESPECTIVE
BINARY OCT1/DNA AND SRY/DNA COMPLEXES
A. POUS
;
save_
save_CNS/XPLOR_dihedral_21
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 3
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 21
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1o4x 3
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 48 . ca . 48 . cb . 48 . cg . 48 . cd parsed_1o4x 3
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 48 . cb . 48 . cg . 48 . cd . 48 . oe1 parsed_1o4x 3
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1o4x 3
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 24 . ca . 24 . cb . 24 . cg . 24 . cd parsed_1o4x 3
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 52 . n . 52 . ca . 52 . cb . 52 . og parsed_1o4x 3
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 31 . n . 31 . ca . 31 . cb . 31 . cg parsed_1o4x 3
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 31 . ca . 31 . cb . 31 . cg . 31 . cd parsed_1o4x 3
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 31 . cb . 31 . cg . 31 . cd . 31 . oe1 parsed_1o4x 3
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 49 . n . 49 . ca . 49 . cb . 49 . og1 parsed_1o4x 3
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 58 . n . 58 . ca . 58 . cb . 58 . cg parsed_1o4x 3
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 58 . ca . 58 . cb . 58 . cg . 58 . od1 parsed_1o4x 3
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_1o4x 3
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 45 . ca . 45 . cb . 45 . cg . 45 . od1 parsed_1o4x 3
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1o4x 3
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 46 . ca . 46 . cb . 46 . cg . 46 . cd1 parsed_1o4x 3
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 47 . n . 47 . ca . 47 . cb . 47 . og parsed_1o4x 3
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 49 . n . 49 . ca . 49 . cb . 49 . og1 parsed_1o4x 3
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 50 . n . 50 . ca . 50 . cb . 50 . og1 parsed_1o4x 3
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg parsed_1o4x 3
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 53 . ca . 53 . cb . 53 . cg . 53 . cd parsed_1o4x 3
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 53 . cb . 53 . cg . 53 . cd . 53 . ne parsed_1o4x 3
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 53 . cg . 53 . cd . 53 . ne . 53 . cz parsed_1o4x 3
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 62 . n . 62 . ca . 62 . cb . 62 . cg parsed_1o4x 3
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 215.0 . . 62 . ca . 62 . cb . 62 . cg . 62 . cd parsed_1o4x 3
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 62 . cb . 62 . cg . 62 . cd . 62 . ce parsed_1o4x 3
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 62 . cg . 62 . cd . 62 . ce . 62 . nz parsed_1o4x 3
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 63 . n . 63 . ca . 63 . cb . 63 . cg parsed_1o4x 3
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 50.0 . . 63 . ca . 63 . cb . 63 . cg . 63 . od1 parsed_1o4x 3
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 66 . n . 66 . ca . 66 . cb . 66 . cg parsed_1o4x 3
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 66 . ca . 66 . cb . 66 . cg . 66 . cd parsed_1o4x 3
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 66 . cb . 66 . cg . 66 . cd . 66 . ce parsed_1o4x 3
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 66 . cg . 66 . cd . 66 . ce . 66 . nz parsed_1o4x 3
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 67 . n . 67 . ca . 67 . cb . 67 . cg parsed_1o4x 3
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 67 . ca . 67 . cb . 67 . cg . 67 . cd1 parsed_1o4x 3
stop_
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 Q48 1 1 1 5 parsed_1o4x 3
2 R24 10 1 10 5 parsed_1o4x 3
3 S52 17 1 17 5 parsed_1o4x 3
4 Q31 21 1 21 5 parsed_1o4x 3
5 T49 30 1 30 5 parsed_1o4x 3
6 N58 35 1 35 5 parsed_1o4x 3
7 D45 42 1 42 5 parsed_1o4x 3
8 F46 49 1 49 5 parsed_1o4x 3
9 S47 55 1 55 5 parsed_1o4x 3
10 T49 59 1 59 5 parsed_1o4x 3
11 T50 63 1 63 5 parsed_1o4x 3
12 R53 67 1 67 5 parsed_1o4x 3
13 K62 78 1 78 5 parsed_1o4x 3
14 N63 88 1 88 5 parsed_1o4x 3
15 K66 97 1 97 5 parsed_1o4x 3
16 L67 108 1 108 5 parsed_1o4x 3
stop_
save_
save_MR_file_comment_22
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 12
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 22
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "B. POUHD"
save_
save_CNS/XPLOR_dihedral_23
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 4
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 23
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 110 . n . 110 . ca . 110 . cb . 110 . og parsed_1o4x 4
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 111 . n . 111 . ca . 111 . cb . 111 . cg1 parsed_1o4x 4
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 111 . ca . 111 . cb . 111 . cg1 . 111 . cd1 parsed_1o4x 4
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 116 . n . 116 . ca . 116 . cb . 116 . cg parsed_1o4x 4
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 116 . ca . 116 . cb . 116 . cg . 116 . cd parsed_1o4x 4
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 116 . cb . 116 . cg . 116 . cd . 116 . ne parsed_1o4x 4
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 116 . cg . 116 . cd . 116 . ne . 116 . cz parsed_1o4x 4
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 147 . n . 147 . ca . 147 . cb . 147 . cg1 parsed_1o4x 4
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 150 . n . 150 . ca . 150 . cb . 150 . cg1 parsed_1o4x 4
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 151 . n . 151 . ca . 151 . cb . 151 . cg parsed_1o4x 4
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . 151 . ca . 151 . cb . 151 . cg . 151 . cd1 parsed_1o4x 4
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 154 . n . 154 . ca . 154 . cb . 154 . cg parsed_1o4x 4
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 10.0 . . 154 . ca . 154 . cb . 154 . cg . 154 . od1 parsed_1o4x 4
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 157 . n . 157 . ca . 157 . cb . 157 . cg parsed_1o4x 4
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 157 . ca . 157 . cb . 157 . cg . 157 . cd parsed_1o4x 4
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 80.0 . . 157 . cb . 157 . cg . 157 . cd . 157 . oe1 parsed_1o4x 4
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 158 . n . 158 . ca . 158 . cb . 158 . cg parsed_1o4x 4
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 158 . ca . 158 . cb . 158 . cg . 158 . cd parsed_1o4x 4
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 158 . cb . 158 . cg . 158 . cd . 158 . ce parsed_1o4x 4
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 158 . cg . 158 . cd . 158 . ce . 158 . nz parsed_1o4x 4
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 161 . n . 161 . ca . 161 . cb . 161 . cg parsed_1o4x 4
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 161 . ca . 161 . cb . 161 . cg . 161 . cd parsed_1o4x 4
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 161 . cb . 161 . cg . 161 . cd . 161 . ne parsed_1o4x 4
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 161 . cg . 161 . cd . 161 . ne . 161 . cz parsed_1o4x 4
stop_
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 S110 2 1 2 6 parsed_1o4x 4
2 I111 7 1 7 6 parsed_1o4x 4
3 R116 15 1 15 6 parsed_1o4x 4
4 V147 25 1 25 6 parsed_1o4x 4
5 V150 29 1 29 6 parsed_1o4x 4
6 W151 33 1 33 6 parsed_1o4x 4
7 N154 39 1 39 6 parsed_1o4x 4
8 Q157 45 1 45 6 parsed_1o4x 4
9 K158 53 1 53 6 parsed_1o4x 4
10 R161 64 1 64 6 parsed_1o4x 4
stop_
save_
save_MR_file_comment_24
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 13
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 24
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
C. SOX2
!Residues interacting with DNA at or below intercalation site:
!leave conserved residues in same conformation as in SRY-DNA complex
;
save_
save_CNS/XPLOR_dihedral_25
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 5
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 25
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 207 . n . 207 . ca . 207 . cb . 207 . cg parsed_1o4x 5
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 207 . ca . 207 . cb . 207 . cg . 207 . cd parsed_1o4x 5
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 207 . cb . 207 . cg . 207 . cd . 207 . ne parsed_1o4x 5
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 209 . n . 209 . ca . 209 . cb . 209 . cg parsed_1o4x 5
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 209 . ca . 209 . cb . 209 . cg . 209 . cd parsed_1o4x 5
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 209 . cb . 209 . cg . 209 . cd . 209 . ce parsed_1o4x 5
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 210 . n . 210 . ca . 210 . cb . 210 . cg parsed_1o4x 5
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 210 . ca . 210 . cb . 210 . cg . 210 . cd parsed_1o4x 5
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 210 . cb . 210 . cg . 210 . cd . 210 . ne parsed_1o4x 5
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 212 . n . 212 . ca . 212 . cb . 212 . cg parsed_1o4x 5
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 212 . ca . 212 . cb . 212 . cg . 212 . sd parsed_1o4x 5
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 212 . cb . 212 . cg . 212 . sd . 212 . ce parsed_1o4x 5
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 213 . n . 213 . ca . 213 . cb . 213 . cg parsed_1o4x 5
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 50.0 . . 213 . ca . 213 . cb . 213 . cg . 213 . od1 parsed_1o4x 5
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 215 . n . 215 . ca . 215 . cb . 215 . cg parsed_1o4x 5
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 215 . ca . 215 . cb . 215 . cg . 215 . cd1 parsed_1o4x 5
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 220 . n . 220 . ca . 220 . cb . 220 . cg parsed_1o4x 5
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 220 . ca . 220 . cb . 220 . cg . 220 . cd parsed_1o4x 5
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 220 . cb . 220 . cg . 220 . cd . 220 . ne parsed_1o4x 5
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 246 . n . 246 . ca . 246 . cb . 246 . cg parsed_1o4x 5
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -70.0 . . 246 . ca . 246 . cb . 246 . cg . 246 . cd1 parsed_1o4x 5
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 247 . n . 247 . ca . 247 . cb . 247 . cg parsed_1o4x 5
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 247 . ca . 247 . cb . 247 . cg . 247 . cd parsed_1o4x 5
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 247 . cb . 247 . cg . 247 . cd . 247 . ce parsed_1o4x 5
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 254 . n . 254 . ca . 254 . cb . 254 . cg parsed_1o4x 5
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 254 . ca . 254 . cb . 254 . cg . 254 . cd parsed_1o4x 5
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 254 . cb . 254 . cg . 254 . cd . 254 . ce parsed_1o4x 5
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 258 . n . 258 . ca . 258 . cb . 258 . cg1 parsed_1o4x 5
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 258 . ca . 258 . cb . 258 . cg1 . 258 . cd1 parsed_1o4x 5
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 277 . n . 277 . ca . 277 . cb . 277 . cg parsed_1o4x 5
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 277 . ca . 277 . cb . 277 . cg . 277 . cd1 parsed_1o4x 5
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 281 . n . 281 . ca . 281 . cb . 281 . cg parsed_1o4x 5
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -40.0 . . 282 . n . 282 . ca . 282 . cb . 282 . cg parsed_1o4x 5
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 223 . n . 223 . ca . 223 . cb . 223 . cg parsed_1o4x 5
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 224 . n . 224 . ca . 224 . cb . 224 . cg parsed_1o4x 5
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 224 . ca . 224 . cb . 224 . cg . 224 . cd parsed_1o4x 5
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 234 . n . 234 . ca . 234 . cb . 234 . cg parsed_1o4x 5
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 234 . ca . 234 . cb . 234 . cg . 234 . nd1 parsed_1o4x 5
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 235 . n . 235 . ca . 235 . cb . 235 . cg parsed_1o4x 5
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 50.0 . . 235 . ca . 235 . cb . 235 . cg . 235 . od1 parsed_1o4x 5
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 236 . n . 236 . ca . 236 . cb . 236 . og parsed_1o4x 5
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 238 . n . 238 . ca . 238 . cb . 238 . cg1 parsed_1o4x 5
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 238 . ca . 238 . cb . 238 . cg1 . 238 . cd1 parsed_1o4x 5
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 239 . n . 239 . ca . 239 . cb . 239 . og parsed_1o4x 5
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 240 . n . 240 . ca . 240 . cb . 240 . cg parsed_1o4x 5
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 240 . ca . 240 . cb . 240 . cg . 240 . cd parsed_1o4x 5
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 240 . cb . 240 . cg . 240 . cd . 240 . ce parsed_1o4x 5
stop_
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 "R207 (=SRY R4)" 2 1 2 16 parsed_1o4x 5
2 "K209 (=K6 SRY)" 10 1 10 16 parsed_1o4x 5
3 "R210 (=R7 SRY)" 18 1 18 16 parsed_1o4x 5
4 "M212 (=M9 SRY)" 26 1 26 16 parsed_1o4x 5
5 "N213 (=N10 SRY)" 34 1 34 17 parsed_1o4x 5
6 "F215 (=F12 SRY)" 40 1 40 17 parsed_1o4x 5
7 "R220 (=R17 SRY)" 47 1 47 17 parsed_1o4x 5
8 "W246 (=W43 SRY)" 56 1 56 17 parsed_1o4x 5
9 "!K247 (=K44 SRY)" 64 1 64 18 parsed_1o4x 5
10 "K254 (=K51 SRY)" 73 1 73 17 parsed_1o4x 5
11 "I258 (=F55 SRY)" 82 1 82 17 parsed_1o4x 5
12 "Y277 (=Y74 SRY)" 89 1 89 17 parsed_1o4x 5
13 "R281 (= R78 SRY)" 95 1 95 18 parsed_1o4x 5
14 "K282 (= K79 SRY)" 99 1 99 18 parsed_1o4x 5
15
;
Below intercalation site
R223 (=R20 SRY)
;
105 1 107 17 parsed_1o4x 5
16 "R224 (=R21 SRY)" 111 1 111 17 parsed_1o4x 5
17 "H234 (=R231 SRY)" 118 1 118 18 parsed_1o4x 5
18 "N235 (=N32 SRY)" 125 1 125 17 parsed_1o4x 5
19 "S236 (=S33 SRY)" 133 1 133 17 parsed_1o4x 5
20 "I238 (=I35 SRY)" 138 1 138 17 parsed_1o4x 5
21 "S239 (=S36 SRY)" 145 1 145 17 parsed_1o4x 5
22 "K240 (=K37 SRY)" 151 1 151 17 parsed_1o4x 5
stop_
save_
save_MR_file_comment_26
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1o4x
_Org_constr_file_comment.ID 14
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 26
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
6. TORSION ANGLE RESTRAINTS FOR SUGAR-PHOSPHATE BACKBONE
(USED TO PREVENT MIRROR IMAGES)
;
save_
save_CNS/XPLOR_dihedral_27
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1o4x
_Torsion_angle_constraint_list.ID 6
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 27
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 301 . c4' . 301 . c3' . 301 . o3' . 302 . p parsed_1o4x 6
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 301 . c3' . 301 . o3' . 302 . p . 302 . o5' parsed_1o4x 6
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 301 . o3' . 302 . p . 302 . o5' . 302 . c5' parsed_1o4x 6
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 302 . c4' . 302 . c3' . 302 . o3' . 303 . p parsed_1o4x 6
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 302 . c3' . 302 . o3' . 303 . p . 303 . o5' parsed_1o4x 6
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 302 . o3' . 303 . p . 303 . o5' . 303 . c5' parsed_1o4x 6
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 303 . c4' . 303 . c3' . 303 . o3' . 304 . p parsed_1o4x 6
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 303 . c3' . 303 . o3' . 304 . p . 304 . o5' parsed_1o4x 6
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 303 . o3' . 304 . p . 304 . o5' . 304 . c5' parsed_1o4x 6
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 304 . c4' . 304 . c3' . 304 . o3' . 305 . p parsed_1o4x 6
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 304 . c3' . 304 . o3' . 305 . p . 305 . o5' parsed_1o4x 6
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 304 . o3' . 305 . p . 305 . o5' . 305 . c5' parsed_1o4x 6
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 305 . c4' . 305 . c3' . 305 . o3' . 306 . p parsed_1o4x 6
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 305 . c3' . 305 . o3' . 306 . p . 306 . o5' parsed_1o4x 6
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 305 . o3' . 306 . p . 306 . o5' . 306 . c5' parsed_1o4x 6
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 306 . c4' . 306 . c3' . 306 . o3' . 307 . p parsed_1o4x 6
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 306 . c3' . 306 . o3' . 307 . p . 307 . o5' parsed_1o4x 6
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 306 . o3' . 307 . p . 307 . o5' . 307 . c5' parsed_1o4x 6
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 307 . c4' . 307 . c3' . 307 . o3' . 308 . p parsed_1o4x 6
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 307 . c3' . 307 . o3' . 308 . p . 308 . o5' parsed_1o4x 6
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 307 . o3' . 308 . p . 308 . o5' . 308 . c5' parsed_1o4x 6
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 308 . c4' . 308 . c3' . 308 . o3' . 309 . p parsed_1o4x 6
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 308 . c3' . 308 . o3' . 309 . p . 309 . o5' parsed_1o4x 6
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 308 . o3' . 309 . p . 309 . o5' . 309 . c5' parsed_1o4x 6
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 309 . c4' . 309 . c3' . 309 . o3' . 310 . p parsed_1o4x 6
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 309 . c3' . 309 . o3' . 310 . p . 310 . o5' parsed_1o4x 6
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 309 . o3' . 310 . p . 310 . o5' . 310 . c5' parsed_1o4x 6
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 310 . c4' . 310 . c3' . 310 . o3' . 311 . p parsed_1o4x 6
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 310 . c3' . 310 . o3' . 311 . p . 311 . o5' parsed_1o4x 6
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 310 . o3' . 311 . p . 311 . o5' . 311 . c5' parsed_1o4x 6
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 311 . c4' . 311 . c3' . 311 . o3' . 312 . p parsed_1o4x 6
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 311 . c3' . 311 . o3' . 312 . p . 312 . o5' parsed_1o4x 6
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 311 . o3' . 312 . p . 312 . o5' . 312 . c5' parsed_1o4x 6
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 312 . c4' . 312 . c3' . 312 . o3' . 313 . p parsed_1o4x 6
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 312 . c3' . 312 . o3' . 313 . p . 313 . o5' parsed_1o4x 6
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 312 . o3' . 313 . p . 313 . o5' . 313 . c5' parsed_1o4x 6
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 313 . c4' . 313 . c3' . 313 . o3' . 314 . p parsed_1o4x 6
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 313 . c3' . 313 . o3' . 314 . p . 314 . o5' parsed_1o4x 6
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 313 . o3' . 314 . p . 314 . o5' . 314 . c5' parsed_1o4x 6
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 314 . c4' . 314 . c3' . 314 . o3' . 315 . p parsed_1o4x 6
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 314 . c3' . 314 . o3' . 315 . p . 315 . o5' parsed_1o4x 6
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 314 . o3' . 315 . p . 315 . o5' . 315 . c5' parsed_1o4x 6
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 315 . c4' . 315 . c3' . 315 . o3' . 316 . p parsed_1o4x 6
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 315 . c3' . 315 . o3' . 316 . p . 316 . o5' parsed_1o4x 6
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 315 . o3' . 316 . p . 316 . o5' . 316 . c5' parsed_1o4x 6
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 316 . c4' . 316 . c3' . 316 . o3' . 317 . p parsed_1o4x 6
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 316 . c3' . 316 . o3' . 317 . p . 317 . o5' parsed_1o4x 6
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 316 . o3' . 317 . p . 317 . o5' . 317 . c5' parsed_1o4x 6
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 317 . c4' . 317 . c3' . 317 . o3' . 318 . p parsed_1o4x 6
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 317 . c3' . 317 . o3' . 318 . p . 318 . o5' parsed_1o4x 6
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 317 . o3' . 318 . p . 318 . o5' . 318 . c5' parsed_1o4x 6
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 318 . c4' . 318 . c3' . 318 . o3' . 319 . p parsed_1o4x 6
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 318 . c3' . 318 . o3' . 319 . p . 319 . o5' parsed_1o4x 6
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 318 . o3' . 319 . p . 319 . o5' . 319 . c5' parsed_1o4x 6
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 320 . c4' . 320 . c3' . 320 . o3' . 321 . p parsed_1o4x 6
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 320 . c3' . 320 . o3' . 321 . p . 321 . o5' parsed_1o4x 6
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 320 . o3' . 321 . p . 321 . o5' . 321 . c5' parsed_1o4x 6
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 321 . c4' . 321 . c3' . 321 . o3' . 322 . p parsed_1o4x 6
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 321 . c3' . 321 . o3' . 322 . p . 322 . o5' parsed_1o4x 6
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 321 . o3' . 322 . p . 322 . o5' . 322 . c5' parsed_1o4x 6
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 322 . c4' . 322 . c3' . 322 . o3' . 323 . p parsed_1o4x 6
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 322 . c3' . 322 . o3' . 323 . p . 323 . o5' parsed_1o4x 6
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 322 . o3' . 323 . p . 323 . o5' . 323 . c5' parsed_1o4x 6
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 323 . c4' . 323 . c3' . 323 . o3' . 324 . p parsed_1o4x 6
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 323 . c3' . 323 . o3' . 324 . p . 324 . o5' parsed_1o4x 6
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 323 . o3' . 324 . p . 324 . o5' . 324 . c5' parsed_1o4x 6
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 324 . c4' . 324 . c3' . 324 . o3' . 325 . p parsed_1o4x 6
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 324 . c3' . 324 . o3' . 325 . p . 325 . o5' parsed_1o4x 6
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 324 . o3' . 325 . p . 325 . o5' . 325 . c5' parsed_1o4x 6
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 325 . c4' . 325 . c3' . 325 . o3' . 326 . p parsed_1o4x 6
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 325 . c3' . 325 . o3' . 326 . p . 326 . o5' parsed_1o4x 6
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 325 . o3' . 326 . p . 326 . o5' . 326 . c5' parsed_1o4x 6
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 326 . c4' . 326 . c3' . 326 . o3' . 327 . p parsed_1o4x 6
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 326 . c3' . 326 . o3' . 327 . p . 327 . o5' parsed_1o4x 6
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 326 . o3' . 327 . p . 327 . o5' . 327 . c5' parsed_1o4x 6
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 327 . c4' . 327 . c3' . 327 . o3' . 328 . p parsed_1o4x 6
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 327 . c3' . 327 . o3' . 328 . p . 328 . o5' parsed_1o4x 6
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 327 . o3' . 328 . p . 328 . o5' . 328 . c5' parsed_1o4x 6
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 328 . c4' . 328 . c3' . 328 . o3' . 329 . p parsed_1o4x 6
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 328 . c3' . 328 . o3' . 329 . p . 329 . o5' parsed_1o4x 6
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 328 . o3' . 329 . p . 329 . o5' . 329 . c5' parsed_1o4x 6
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 329 . c4' . 329 . c3' . 329 . o3' . 330 . p parsed_1o4x 6
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 329 . c3' . 329 . o3' . 330 . p . 330 . o5' parsed_1o4x 6
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 329 . o3' . 330 . p . 330 . o5' . 330 . c5' parsed_1o4x 6
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 330 . c4' . 330 . c3' . 330 . o3' . 331 . p parsed_1o4x 6
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 330 . c3' . 330 . o3' . 331 . p . 331 . o5' parsed_1o4x 6
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 330 . o3' . 331 . p . 331 . o5' . 331 . c5' parsed_1o4x 6
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 331 . c4' . 331 . c3' . 331 . o3' . 332 . p parsed_1o4x 6
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 331 . c3' . 331 . o3' . 332 . p . 332 . o5' parsed_1o4x 6
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 331 . o3' . 332 . p . 332 . o5' . 332 . c5' parsed_1o4x 6
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 332 . c4' . 332 . c3' . 332 . o3' . 333 . p parsed_1o4x 6
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 332 . c3' . 332 . o3' . 333 . p . 333 . o5' parsed_1o4x 6
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 332 . o3' . 333 . p . 333 . o5' . 333 . c5' parsed_1o4x 6
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 333 . c4' . 333 . c3' . 333 . o3' . 334 . p parsed_1o4x 6
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 333 . c3' . 333 . o3' . 334 . p . 334 . o5' parsed_1o4x 6
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 333 . o3' . 334 . p . 334 . o5' . 334 . c5' parsed_1o4x 6
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 334 . c4' . 334 . c3' . 334 . o3' . 335 . p parsed_1o4x 6
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 334 . c3' . 334 . o3' . 335 . p . 335 . o5' parsed_1o4x 6
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 334 . o3' . 335 . p . 335 . o5' . 335 . c5' parsed_1o4x 6
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 335 . c4' . 335 . c3' . 335 . o3' . 336 . p parsed_1o4x 6
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 335 . c3' . 335 . o3' . 336 . p . 336 . o5' parsed_1o4x 6
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 335 . o3' . 336 . p . 336 . o5' . 336 . c5' parsed_1o4x 6
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 336 . c4' . 336 . c3' . 336 . o3' . 337 . p parsed_1o4x 6
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 336 . c3' . 336 . o3' . 337 . p . 337 . o5' parsed_1o4x 6
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 336 . o3' . 337 . p . 337 . o5' . 337 . c5' parsed_1o4x 6
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 337 . c4' . 337 . c3' . 337 . o3' . 338 . p parsed_1o4x 6
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 337 . c3' . 337 . o3' . 338 . p . 338 . o5' parsed_1o4x 6
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 337 . o3' . 338 . p . 338 . o5' . 338 . c5' parsed_1o4x 6
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 302 . p . 302 . o5' . 302 . c5' . 302 . c4' parsed_1o4x 6
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 303 . p . 303 . o5' . 303 . c5' . 303 . c4' parsed_1o4x 6
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 304 . p . 304 . o5' . 304 . c5' . 304 . c4' parsed_1o4x 6
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 305 . p . 305 . o5' . 305 . c5' . 305 . c4' parsed_1o4x 6
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 306 . p . 306 . o5' . 306 . c5' . 306 . c4' parsed_1o4x 6
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 307 . p . 307 . o5' . 307 . c5' . 307 . c4' parsed_1o4x 6
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 308 . p . 308 . o5' . 308 . c5' . 308 . c4' parsed_1o4x 6
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 309 . p . 309 . o5' . 309 . c5' . 309 . c4' parsed_1o4x 6
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 310 . p . 310 . o5' . 310 . c5' . 310 . c4' parsed_1o4x 6
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 311 . p . 311 . o5' . 311 . c5' . 311 . c4' parsed_1o4x 6
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 312 . p . 312 . o5' . 312 . c5' . 312 . c4' parsed_1o4x 6
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 313 . p . 313 . o5' . 313 . c5' . 313 . c4' parsed_1o4x 6
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 314 . p . 314 . o5' . 314 . c5' . 314 . c4' parsed_1o4x 6
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 315 . p . 315 . o5' . 315 . c5' . 315 . c4' parsed_1o4x 6
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 316 . p . 316 . o5' . 316 . c5' . 316 . c4' parsed_1o4x 6
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 317 . p . 317 . o5' . 317 . c5' . 317 . c4' parsed_1o4x 6
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 318 . p . 318 . o5' . 318 . c5' . 318 . c4' parsed_1o4x 6
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 319 . p . 319 . o5' . 319 . c5' . 319 . c4' parsed_1o4x 6
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 321 . p . 321 . o5' . 321 . c5' . 321 . c4' parsed_1o4x 6
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 322 . p . 322 . o5' . 322 . c5' . 322 . c4' parsed_1o4x 6
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 323 . p . 323 . o5' . 323 . c5' . 323 . c4' parsed_1o4x 6
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 324 . p . 324 . o5' . 324 . c5' . 324 . c4' parsed_1o4x 6
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 325 . p . 325 . o5' . 325 . c5' . 325 . c4' parsed_1o4x 6
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 326 . p . 326 . o5' . 326 . c5' . 326 . c4' parsed_1o4x 6
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 327 . p . 327 . o5' . 327 . c5' . 327 . c4' parsed_1o4x 6
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 328 . p . 328 . o5' . 328 . c5' . 328 . c4' parsed_1o4x 6
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 329 . p . 329 . o5' . 329 . c5' . 329 . c4' parsed_1o4x 6
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 330 . p . 330 . o5' . 330 . c5' . 330 . c4' parsed_1o4x 6
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 331 . p . 331 . o5' . 331 . c5' . 331 . c4' parsed_1o4x 6
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 332 . p . 332 . o5' . 332 . c5' . 332 . c4' parsed_1o4x 6
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 333 . p . 333 . o5' . 333 . c5' . 333 . c4' parsed_1o4x 6
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 334 . p . 334 . o5' . 334 . c5' . 334 . c4' parsed_1o4x 6
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 335 . p . 335 . o5' . 335 . c5' . 335 . c4' parsed_1o4x 6
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 336 . p . 336 . o5' . 336 . c5' . 336 . c4' parsed_1o4x 6
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 337 . p . 337 . o5' . 337 . c5' . 337 . c4' parsed_1o4x 6
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 338 . p . 338 . o5' . 338 . c5' . 338 . c4' parsed_1o4x 6
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 301 . o5' . 301 . c5' . 301 . c4' . 301 . c3' parsed_1o4x 6
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 302 . o5' . 302 . c5' . 302 . c4' . 302 . c3' parsed_1o4x 6
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 303 . o5' . 303 . c5' . 303 . c4' . 303 . c3' parsed_1o4x 6
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 304 . o5' . 304 . c5' . 304 . c4' . 304 . c3' parsed_1o4x 6
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 305 . o5' . 305 . c5' . 305 . c4' . 305 . c3' parsed_1o4x 6
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 306 . o5' . 306 . c5' . 306 . c4' . 306 . c3' parsed_1o4x 6
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 307 . o5' . 307 . c5' . 307 . c4' . 307 . c3' parsed_1o4x 6
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 308 . o5' . 308 . c5' . 308 . c4' . 308 . c3' parsed_1o4x 6
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 309 . o5' . 309 . c5' . 309 . c4' . 309 . c3' parsed_1o4x 6
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 310 . o5' . 310 . c5' . 310 . c4' . 310 . c3' parsed_1o4x 6
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 311 . o5' . 311 . c5' . 311 . c4' . 311 . c3' parsed_1o4x 6
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 312 . o5' . 312 . c5' . 312 . c4' . 312 . c3' parsed_1o4x 6
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 313 . o5' . 313 . c5' . 313 . c4' . 313 . c3' parsed_1o4x 6
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 314 . o5' . 314 . c5' . 314 . c4' . 314 . c3' parsed_1o4x 6
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 315 . o5' . 315 . c5' . 315 . c4' . 315 . c3' parsed_1o4x 6
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 316 . o5' . 316 . c5' . 316 . c4' . 316 . c3' parsed_1o4x 6
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 317 . o5' . 317 . c5' . 317 . c4' . 317 . c3' parsed_1o4x 6
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 318 . o5' . 318 . c5' . 318 . c4' . 318 . c3' parsed_1o4x 6
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 319 . o5' . 319 . c5' . 319 . c4' . 319 . c3' parsed_1o4x 6
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 320 . o5' . 320 . c5' . 320 . c4' . 320 . c3' parsed_1o4x 6
165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 321 . o5' . 321 . c5' . 321 . c4' . 321 . c3' parsed_1o4x 6
166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 322 . o5' . 322 . c5' . 322 . c4' . 322 . c3' parsed_1o4x 6
167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 323 . o5' . 323 . c5' . 323 . c4' . 323 . c3' parsed_1o4x 6
168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 324 . o5' . 324 . c5' . 324 . c4' . 324 . c3' parsed_1o4x 6
169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 325 . o5' . 325 . c5' . 325 . c4' . 325 . c3' parsed_1o4x 6
170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 326 . o5' . 326 . c5' . 326 . c4' . 326 . c3' parsed_1o4x 6
171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 327 . o5' . 327 . c5' . 327 . c4' . 327 . c3' parsed_1o4x 6
172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 328 . o5' . 328 . c5' . 328 . c4' . 328 . c3' parsed_1o4x 6
173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 329 . o5' . 329 . c5' . 329 . c4' . 329 . c3' parsed_1o4x 6
174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 330 . o5' . 330 . c5' . 330 . c4' . 330 . c3' parsed_1o4x 6
175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 331 . o5' . 331 . c5' . 331 . c4' . 331 . c3' parsed_1o4x 6
176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 332 . o5' . 332 . c5' . 332 . c4' . 332 . c3' parsed_1o4x 6
177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 333 . o5' . 333 . c5' . 333 . c4' . 333 . c3' parsed_1o4x 6
178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 334 . o5' . 334 . c5' . 334 . c4' . 334 . c3' parsed_1o4x 6
179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 335 . o5' . 335 . c5' . 335 . c4' . 335 . c3' parsed_1o4x 6
180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 336 . o5' . 336 . c5' . 336 . c4' . 336 . c3' parsed_1o4x 6
181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 337 . o5' . 337 . c5' . 337 . c4' . 337 . c3' parsed_1o4x 6
182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 95.0 . . 338 . o5' . 338 . c5' . 338 . c4' . 338 . c3' parsed_1o4x 6
183 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 301 . c5' . 301 . c4' . 301 . c3' . 301 . o3' parsed_1o4x 6
184 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 302 . c5' . 302 . c4' . 302 . c3' . 302 . o3' parsed_1o4x 6
185 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 303 . c5' . 303 . c4' . 303 . c3' . 303 . o3' parsed_1o4x 6
186 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 304 . c5' . 304 . c4' . 304 . c3' . 304 . o3' parsed_1o4x 6
187 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 90.0 . . 305 . c5' . 305 . c4' . 305 . c3' . 305 . o3' parsed_1o4x 6
188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 90.0 . . 306 . c5' . 306 . c4' . 306 . c3' . 306 . o3' parsed_1o4x 6
189 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 307 . c5' . 307 . c4' . 307 . c3' . 307 . o3' parsed_1o4x 6
190 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 308 . c5' . 308 . c4' . 308 . c3' . 308 . o3' parsed_1o4x 6
191 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 309 . c5' . 309 . c4' . 309 . c3' . 309 . o3' parsed_1o4x 6
192 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 310 . c5' . 310 . c4' . 310 . c3' . 310 . o3' parsed_1o4x 6
193 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 311 . c5' . 311 . c4' . 311 . c3' . 311 . o3' parsed_1o4x 6
194 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 312 . c5' . 312 . c4' . 312 . c3' . 312 . o3' parsed_1o4x 6
195 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 313 . c5' . 313 . c4' . 313 . c3' . 313 . o3' parsed_1o4x 6
196 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 314 . c5' . 314 . c4' . 314 . c3' . 314 . o3' parsed_1o4x 6
197 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 315 . c5' . 315 . c4' . 315 . c3' . 315 . o3' parsed_1o4x 6
198 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 316 . c5' . 316 . c4' . 316 . c3' . 316 . o3' parsed_1o4x 6
199 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 317 . c5' . 317 . c4' . 317 . c3' . 317 . o3' parsed_1o4x 6
200 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 318 . c5' . 318 . c4' . 318 . c3' . 318 . o3' parsed_1o4x 6
201 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 319 . c5' . 319 . c4' . 319 . c3' . 319 . o3' parsed_1o4x 6
202 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 320 . c5' . 320 . c4' . 320 . c3' . 320 . o3' parsed_1o4x 6
203 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 321 . c5' . 321 . c4' . 321 . c3' . 321 . o3' parsed_1o4x 6
204 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 322 . c5' . 322 . c4' . 322 . c3' . 322 . o3' parsed_1o4x 6
205 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 323 . c5' . 323 . c4' . 323 . c3' . 323 . o3' parsed_1o4x 6
206 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 324 . c5' . 324 . c4' . 324 . c3' . 324 . o3' parsed_1o4x 6
207 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 325 . c5' . 325 . c4' . 325 . c3' . 325 . o3' parsed_1o4x 6
208 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 326 . c5' . 326 . c4' . 326 . c3' . 326 . o3' parsed_1o4x 6
209 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 327 . c5' . 327 . c4' . 327 . c3' . 327 . o3' parsed_1o4x 6
210 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 328 . c5' . 328 . c4' . 328 . c3' . 328 . o3' parsed_1o4x 6
211 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 329 . c5' . 329 . c4' . 329 . c3' . 329 . o3' parsed_1o4x 6
212 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 330 . c5' . 330 . c4' . 330 . c3' . 330 . o3' parsed_1o4x 6
213 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 331 . c5' . 331 . c4' . 331 . c3' . 331 . o3' parsed_1o4x 6
214 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 90.0 . . 332 . c5' . 332 . c4' . 332 . c3' . 332 . o3' parsed_1o4x 6
215 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 333 . c5' . 333 . c4' . 333 . c3' . 333 . o3' parsed_1o4x 6
216 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 334 . c5' . 334 . c4' . 334 . c3' . 334 . o3' parsed_1o4x 6
217 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 335 . c5' . 335 . c4' . 335 . c3' . 335 . o3' parsed_1o4x 6
218 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 336 . c5' . 336 . c4' . 336 . c3' . 336 . o3' parsed_1o4x 6
219 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 337 . c5' . 337 . c4' . 337 . c3' . 337 . o3' parsed_1o4x 6
220 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 160.0 . . 338 . c5' . 338 . c4' . 338 . c3' . 338 . o3' parsed_1o4x 6
stop_
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
;
301 302
epsilon
;
2 1 3 9 parsed_1o4x 6
2 zeta 6 1 6 6 parsed_1o4x 6
3 alpha 9 1 9 7 parsed_1o4x 6
4
;
302 303
epsilon
;
13 1 14 9 parsed_1o4x 6
5 zeta 17 1 17 6 parsed_1o4x 6
6 alpha 20 1 20 7 parsed_1o4x 6
7
;
303 304
epsilon
;
24 1 25 9 parsed_1o4x 6
8 zeta 28 1 28 6 parsed_1o4x 6
9 alpha 31 1 31 7 parsed_1o4x 6
10
;
304 305
epsilon
;
35 1 36 9 parsed_1o4x 6
11 zeta 39 1 39 6 parsed_1o4x 6
12 alpha 42 1 42 7 parsed_1o4x 6
13
;
305 306
epsilon
;
46 1 47 9 parsed_1o4x 6
14 zeta 50 1 50 6 parsed_1o4x 6
15 alpha 53 1 53 7 parsed_1o4x 6
16
;
306 307
epsilon
;
57 1 58 9 parsed_1o4x 6
17 zeta 61 1 61 6 parsed_1o4x 6
18 alpha 64 1 64 7 parsed_1o4x 6
19
;
307 308
epsilon
;
68 1 69 9 parsed_1o4x 6
20 zeta 72 1 72 6 parsed_1o4x 6
21 alpha 75 1 75 7 parsed_1o4x 6
22
;
308 309
epsilon
;
79 1 80 9 parsed_1o4x 6
23 zeta 83 1 83 6 parsed_1o4x 6
24 alpha 86 1 86 7 parsed_1o4x 6
25
;
309 310
epsilon
;
90 1 91 9 parsed_1o4x 6
26 zeta 94 1 94 6 parsed_1o4x 6
27 alpha 97 1 97 7 parsed_1o4x 6
28
;
310 311
epsilon
;
101 1 102 9 parsed_1o4x 6
29 zeta 105 1 105 6 parsed_1o4x 6
30 alpha 108 1 108 7 parsed_1o4x 6
31
;
311 312
epsilon
;
112 1 113 9 parsed_1o4x 6
32 zeta 116 1 116 6 parsed_1o4x 6
33 alpha 119 1 119 7 parsed_1o4x 6
34
;
312 313
epsilon
;
123 1 124 9 parsed_1o4x 6
35 zeta 127 1 127 6 parsed_1o4x 6
36 alpha 130 1 130 7 parsed_1o4x 6
37
;
313 314
epsilon
;
134 1 135 9 parsed_1o4x 6
38 zeta 138 1 138 6 parsed_1o4x 6
39 alpha 141 1 141 7 parsed_1o4x 6
40
;
314 315
epsilon
;
145 1 146 9 parsed_1o4x 6
41 zeta 149 1 149 6 parsed_1o4x 6
42 alpha 152 1 152 7 parsed_1o4x 6
43
;
315 316
epsilon
;
156 1 157 9 parsed_1o4x 6
44 zeta 160 1 160 6 parsed_1o4x 6
45 alpha 163 1 163 7 parsed_1o4x 6
46
;
316 317
epsilon
;
167 1 168 9 parsed_1o4x 6
47 zeta 171 1 171 6 parsed_1o4x 6
48 alpha 174 1 174 7 parsed_1o4x 6
49
;
317 318
epsilon
;
178 1 179 9 parsed_1o4x 6
50 zeta 182 1 182 6 parsed_1o4x 6
51 alpha 185 1 185 7 parsed_1o4x 6
52
;
318 319
epsilon
;
189 1 190 9 parsed_1o4x 6
53 zeta 193 1 193 6 parsed_1o4x 6
54 alpha 196 1 196 7 parsed_1o4x 6
55
;
320 321
epsilon
;
201 1 202 9 parsed_1o4x 6
56 zeta 205 1 205 6 parsed_1o4x 6
57 alpha 208 1 208 7 parsed_1o4x 6
58
;
321 322
epsilon
;
212 1 213 9 parsed_1o4x 6
59 zeta 216 1 216 6 parsed_1o4x 6
60 alpha 219 1 219 7 parsed_1o4x 6
61
;
322 323
epsilon
;
223 1 224 9 parsed_1o4x 6
62 zeta 227 1 227 6 parsed_1o4x 6
63 alpha 230 1 230 7 parsed_1o4x 6
64
;
323 324
epsilon
;
234 1 235 9 parsed_1o4x 6
65 zeta 238 1 238 6 parsed_1o4x 6
66 alpha 241 1 241 7 parsed_1o4x 6
67
;
324 325
epsilon
;
245 1 246 9 parsed_1o4x 6
68 zeta 249 1 249 6 parsed_1o4x 6
69 alpha 252 1 252 7 parsed_1o4x 6
70
;
325 326
epsilon
;
256 1 257 9 parsed_1o4x 6
71 zeta 260 1 260 6 parsed_1o4x 6
72 alpha 263 1 263 7 parsed_1o4x 6
73
;
326 327
epsilon
;
267 1 268 9 parsed_1o4x 6
74 zeta 271 1 271 6 parsed_1o4x 6
75 alpha 274 1 274 7 parsed_1o4x 6
76
;
327 328
epsilon
;
278 1 279 9 parsed_1o4x 6
77 zeta 282 1 282 6 parsed_1o4x 6
78 alpha 285 1 285 7 parsed_1o4x 6
79
;
328 329
epsilon
;
289 1 290 9 parsed_1o4x 6
80 zeta 293 1 293 6 parsed_1o4x 6
81 alpha 296 1 296 7 parsed_1o4x 6
82
;
329 330
epsilon
;
300 1 301 9 parsed_1o4x 6
83 zeta 304 1 304 6 parsed_1o4x 6
84 alpha 307 1 307 7 parsed_1o4x 6
85
;
330 331
epsilon
;
311 1 312 9 parsed_1o4x 6
86 zeta 315 1 315 6 parsed_1o4x 6
87 alpha 318 1 318 7 parsed_1o4x 6
88
;
331 332
epsilon
;
322 1 323 9 parsed_1o4x 6
89 zeta 326 1 326 6 parsed_1o4x 6
90 alpha 329 1 329 7 parsed_1o4x 6
91
;
332 333
epsilon
;
333 1 334 9 parsed_1o4x 6
92 zeta 337 1 337 6 parsed_1o4x 6
93 alpha 340 1 340 7 parsed_1o4x 6
94
;
333 334
epsilon
;
344 1 345 9 parsed_1o4x 6
95 zeta 348 1 348 6 parsed_1o4x 6
96 alpha 351 1 351 7 parsed_1o4x 6
97
;
334 335
epsilon
;
354 1 355 9 parsed_1o4x 6
98 zeta 358 1 358 6 parsed_1o4x 6
99 alpha 361 1 361 7 parsed_1o4x 6
100
;
335 336
epsilon
;
364 1 365 9 parsed_1o4x 6
101 zeta 368 1 368 6 parsed_1o4x 6
102 alpha 371 1 371 7 parsed_1o4x 6
103
;
336 337
epsilon
;
374 1 375 9 parsed_1o4x 6
104 zeta 378 1 378 6 parsed_1o4x 6
105 alpha 381 1 381 7 parsed_1o4x 6
106
;
337 338
epsilon
;
384 1 385 9 parsed_1o4x 6
107 zeta 388 1 388 6 parsed_1o4x 6
108 alpha 391 1 391 7 parsed_1o4x 6
109
;
============================================================================
beta
============================================================================
;
395 1 397 78 parsed_1o4x 6
110
;
============================================================================
gamma
============================================================================
;
507 1 509 78 parsed_1o4x 6
111
;
============================================================================
delta
============================================================================
;
625 1 627 78 parsed_1o4x 6
stop_
save_
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