NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
29763 |
1bcb   |
cing | 2-parsed | STAR | entry | full | 51 |
data_1bcb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bcb
_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_1bcb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bcb
_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 1bcb "Master copy" parsed_1bcb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bcb
_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 1bcb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bcb 1
1 1bcb.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 0 parsed_1bcb 1
1 1bcb.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_1bcb 1
1 1bcb.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 51 parsed_1bcb 1
1 1bcb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bcb 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_1bcb
_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 DEOXYRIBONUCLEIC ACID 29-APR-98 1BCB
*TITLE INTRAMOLECULAR TRIPLEX, NMR, 10 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DNA TRIPLEX (AGAAGA);
*COMPND 3 CHAIN: A, B, C;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 OTHER_DETAILS: NON-NUCLEOTIDE LINKERS BETWEEN RESIDUES 6
*COMPND 6 AND 7 AND BETWEEN 12 AND 13
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: CHEMICAL SYNTHESIS
*KEYWDS DEOXYRIBONUCLEIC ACID, DNA TRIPLEX
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR J.L.ASENSIO,T.BROWN,A.N.LANE
*REVDAT 1 12-OCT-04 1BCB 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bcb
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "BIOSYM restraint 1" 2 1 2 20 parsed_1bcb 1
2 "WC H bonded atoms" 4 1 4 19 parsed_1bcb 1
3 ! 11 1 11 3 parsed_1bcb 1
4 "hoogsteen H bonded atoms" 24 1 25 26 parsed_1bcb 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
#distance
!WC H bonded atoms
1:A5'_1:N1 1:T3'_12:N3 2.720 2.920 25.00 25.00 1000.000
1:A5'_1:N6 1:T3'_12:O4 2.850 3.050 25.00 25.00 1000.000
!
1:G_2:N1 1:C_11:N3 2.850 3.050 25.00 25.00 1000.000
1:G_2:O6 1:C_11:N4 2.810 3.010 25.00 25.00 1000.000
1:G_2:N2 1:C_11:O2 2.760 2.960 25.00 25.00 1000.000
!!
1:A_3:N1 1:T_10:N3 2.720 2.920 25.00 25.00 1000.000
1:A_3:N6 1:T_10:O4 2.850 3.050 25.00 25.00 1000.000
!
1:A_4:N1 1:T_9:N3 2.720 2.920 25.00 25.00 1000.000
1:A_4:N6 1:T_9:O4 2.850 3.050 25.00 25.00 1000.000
!
1:G_5:N1 1:C_8:N3 2.850 3.050 25.00 25.00 1000.000
1:G_5:O6 1:C_8:N4 2.810 3.010 25.00 25.00 1000.000
1:G_5:N2 1:C_8:O2 2.760 2.960 25.00 25.00 1000.000
!
1:A3'_6:N1 1:T5'_7:N3 2.720 2.920 25.00 25.00 1000.000
1:A3'_6:N6 1:T5'_7:O4 2.850 3.050 25.00 25.00 1000.000
!
!hoogsteen H bonded atoms
1:T5'_13:N3 1:A5'_1:N7 2.700 3.000 25.00 25.00 1000.000
1:T5'_13:O4 1:A5'_1:N6 2.700 3.000 25.00 25.00 1000.000
!
1:C_14:N3 1:G_2:N7 2.700 3.000 25.00 25.00 1000.000
1:C_14:N4 1:G_2:O6 2.700 3.000 25.00 25.00 1000.000
!
1:T_15:N3 1:A_3:N7 2.700 3.000 25.00 25.00 1000.000
1:T_15:O4 1:A_3:N6 2.700 3.000 25.00 25.00 1000.000
!
1:T_16:N3 1:A_4:N7 2.700 3.000 25.00 25.00 1000.000
1:T_16:O4 1:A_4:N6 2.700 3.000 25.00 25.00 1000.000
!
1:C_17:N3 1:G_5:N7 2.700 3.000 25.00 25.00 1000.000
1:C_17:N4 1:G_5:O6 2.700 3.000 25.00 25.00 1000.000
!
1:T3'_18:N3 1:A3'_6:N7 2.700 3.000 25.00 25.00 1000.000
1:T3'_18:O4 1:A3'_6:N6 2.700 3.000 25.00 25.00 1000.000
;
3 1 42 72 parsed_1bcb 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bcb
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Excheangable protons NOEs" 1 1 3 2 parsed_1bcb 2
2 "non exchangeables" 75 1 76 19 parsed_1bcb 2
3 "qualitative constrains (2.6-3.5-5)" 248 1 249 36 parsed_1bcb 2
4 "low bounds" 275 1 276 12 parsed_1bcb 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
1:T3'_12:H3 1:A5'_1:H2 2.000 3.000 50.00 50.00 1000.000
1:G_2:H1 1:C_11:H42 2.000 3.000 50.00 50.00 1000.000
1:G_2:H1 1:A_3:H2 2.000 3.500 50.00 50.00 1000.000
1:G_2:H1 1:C_11:H41 3.000 5.000 50.00 50.00 1000.000
1:T_10:H3 1:A_3:H2 2.000 3.000 50.00 50.00 1000.000
1:T_10:H3 1:A_4:H2 2.000 3.500 50.00 50.00 1000.000
1:T_10:H3 1:A_3:H62 3.000 5.000 50.00 50.00 1000.000
1:T_10:H3 1:A_3:H61 2.000 3.500 50.00 50.00 1000.000
1:T_10:H3 1:A_4:H61 3.000 5.000 50.00 50.00 1000.000
1:T_10:H3 1:C_11:H42 3.000 5.000 50.00 50.00 1000.000
1:T_10:H3 1:C_11:H41 3.000 5.000 50.00 50.00 1000.000
1:T_9:H3 1:A_4:H2 2.000 3.000 50.00 50.00 1000.000
1:T_9:H3 1:A_4:H61 2.000 3.000 50.00 50.00 1000.000
1:T_9:H3 1:A_4:H62 3.000 5.000 50.00 50.00 1000.000
1:G_5:H1 1:A3'_6:H2 2.000 4.500 50.00 50.00 1000.000
1:G_5:H1 1:A_4:H2 3.000 5.000 50.00 50.00 1000.000
1:G_5:H1 1:C_8:H42 2.000 3.000 50.00 50.00 1000.000
1:G_5:H1 1:C_8:H41 3.000 5.000 50.00 50.00 1000.000
1:G_5:H1 1:A_4:H61 3.000 5.000 50.00 50.00 1000.000
1:G_5:H1 1:A_4:H62 3.000 5.000 50.00 50.00 1000.000
1:T5'_7:H3 1:A3'_6:H2 2.000 3.000 50.00 50.00 1000.000
1:T5'_7:H3 1:C_8:H41 3.000 5.000 50.00 50.00 1000.000
1:T5'_7:H3 1:C_8:H42 3.000 5.000 50.00 50.00 1000.000
1:T5'_7:H3 1:A3'_6:H61 2.000 3.500 50.00 50.00 1000.000
1:T5'_7:H3 1:A3'_6:H62 3.000 5.000 50.00 50.00 1000.000
!
1:C_14:N3 1:G_2:H8 2.000 4.500 50.00 50.00 1000.000
1:T_15:H3 1:A_3:H8 2.000 3.500 50.00 50.00 1000.000
1:T_15:H3 1:A_3:H61 3.000 5.000 50.00 50.00 1000.000
1:T_15:H3 1:A_3:H62 2.000 3.500 50.00 50.00 1000.000
1:T_16:H3 1:A_4:H8 2.000 3.500 50.00 50.00 1000.000
1:T_16:H3 1:A_4:H61 3.000 5.000 50.00 50.00 1000.000
1:T_16:H3 1:A_4:H62 2.000 3.000 50.00 50.00 1000.000
1:T_16:H3 1:A_3:H8 3.000 5.000 50.00 50.00 1000.000
1:T3'_18:H3 1:A3'_6:H8 2.000 3.500 50.00 50.00 1000.000
1:T3'_18:H3 1:A3'_6:H62 2.000 3.500 50.00 50.00 1000.000
1:T3'_18:H3 1:A3'_6:H61 3.000 5.000 50.00 50.00 1000.000
1:T3'_18:H3 1:G_5:H8 3.000 5.000 50.00 50.00 1000.000
!
1:C_17:H42 1:C_8:H42 2.000 3.500 50.00 50.00 1000.000
1:C_17:H42 1:C_8:H41 3.000 5.000 50.00 50.00 1000.000
1:C_17:H41 1:C_8:H41 3.000 5.000 50.00 50.00 1000.000
1:C_17:H41 1:C_8:H42 3.000 5.000 50.00 50.00 1000.000
1:C_17:H42 1:A3'_6:H61 3.000 5.000 50.00 50.00 1000.000
1:C_17:H42 1:A3'_6:H62 3.000 5.000 50.00 50.00 1000.000
1:C_17:H41 1:A3'_6:H61 3.000 5.000 50.00 50.00 1000.000
1:C_17:H41 1:A3'_6:H62 3.000 5.000 50.00 50.00 1000.000
1:C_17:H42 1:A_4:H62 3.000 5.000 50.00 50.00 1000.000
!
1:C_14:H41 1:A_3:H61 3.000 5.000 50.00 50.00 1000.000
1:C_14:H41 1:A_3:H62 3.000 5.000 50.00 50.00 1000.000
1:C_14:H42 1:A_3:H61 3.000 5.000 50.00 50.00 1000.000
1:C_14:H42 1:A_3:H62 3.000 5.000 50.00 50.00 1000.000
1:C_14:H42 1:C_11:H42 2.000 5.000 50.00 50.00 1000.000
1:C_14:H41 1:C_11:H42 2.000 5.000 50.00 50.00 1000.000
!
!
1:T_15:H3 1:T_16:H5M* 3.000 6.000 50.00 50.00 1000.000
1:C_17:H41 1:T5'_7:H5M* 3.000 6.000 50.00 50.00 1000.000
1:C_17:H41 1:T_16:H5M* 3.000 6.000 50.00 50.00 1000.000
1:C_17:H41 1:T3'_18:H5M* 3.000 6.000 50.00 50.00 1000.000
1:C_17:H42 1:T_16:H5M* 3.000 6.000 50.00 50.00 1000.000
1:C_17:H42 1:T3'_18:H5M* 3.000 6.000 50.00 50.00 1000.000
1:C_8:H42 1:T5'_7:H5M* 3.000 6.000 50.00 50.00 1000.000
!
1:T_9:H3 1:A_3:H2 4.500 50.000 50.00 50.00 1000.000
1:C_14:N3 1:A5'_1:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T_15:H3 1:G_2:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T_16:H3 1:A_3:H2'2 4.500 50.000 50.00 50.00 1000.000
1:C_17:N3 1:A_4:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T3'_18:H3 1:G_5:H2'2 4.500 50.000 50.00 50.00 1000.000
!
!non exchangeables
1:A5'_1:H8 1:A5'_1:H2'1 1.930 4.950 50.00 50.00 1000.00
1:G_2:H8 1:A5'_1:H2'1 2.200 3.250 50.00 50.00 1000.00
1:G_2:H8 1:G_2:H2'2 1.800 2.140 50.00 50.00 1000.00
1:A_3:H8 1:G_2:H2'2 2.550 3.410 50.00 50.00 1000.00
1:A_4:H4' 1:A_4:H2'1 3.000 3.700 50.00 50.00 1000.00
1:A_4:H8 1:A_4:H2'1 2.620 5.010 50.00 50.00 1000.00
1:G_5:H1' 1:A_4:H2 3.500 4.200 50.00 50.00 1000.00
1:G_5:H3' 1:G_5:H1' 3.100 4.020 50.00 50.00 1000.00
1:G_5:H8 1:G_5:H1' 3.040 3.950 50.00 50.00 1000.00
1:G_5:H8 1:G_5:H3' 3.350 6.090 50.00 50.00 1000.00
1:A3'_6:H8 1:G_5:H1' 4.000 5.270 50.00 50.00 1000.00
1:A3'_6:H8 1:G_5:H3' 3.680 4.940 50.00 50.00 1000.00
1:A3'_6:H8 1:G_5:H8 3.410 5.270 50.00 50.00 1000.00
1:A3'_6:H8 1:A3'_6:H3' 3.540 5.580 50.00 50.00 1000.00
1:T5'_7:H6 1:T5'_7:H2'1 1.850 3.880 50.00 50.00 1000.00
1:T5'_7:H6 1:T5'_7:H3' 2.420 5.160 50.00 50.00 1000.00
1:C_8:H1' 1:A3'_6:H2 3.650 4.000 50.00 50.00 1000.00
1:C_8:H6 1:T5'_7:H2'1 2.060 3.420 50.00 50.00 1000.00
1:C_8:H6 1:T5'_7:H3' 3.500 5.000 50.00 50.00 1000.00
1:C_8:H6 1:C_8:H1' 2.880 3.710 50.00 50.00 1000.00
1:C_8:H5 1:T5'_7:H2'1 2.510 4.880 50.00 50.00 1000.00
1:C_8:H5 1:T5'_7:H6 4.060 6.750 50.00 50.00 1000.00
1:T_9:H5M* 1:C_8:H1' 4.520 5.910 50.00 50.00 1000.00
1:T_9:H5M* 1:C_8:H6 3.360 3.820 50.00 50.00 1000.00
1:T_9:H5M* 1:C_8:H5 3.790 4.080 50.00 50.00 1000.00
1:T_10:H1' 1:A_4:H2 3.500 3.740 50.00 50.00 1000.00
1:T_10:H5M* 1:T_9:H6 3.370 4.350 50.00 50.00 1000.00
1:C_11:H5 1:T_10:H1' 3.650 4.410 50.00 50.00 1000.00
1:C_11:H5 1:T_10:H6 3.060 4.600 50.00 50.00 1000.00
1:C_11:H5 1:T_10:H5M* 3.970 4.800 50.00 50.00 1000.00
1:T3'_12:H5M* 1:C_11:H1' 4.930 6.730 50.00 50.00 1000.00
1:T3'_12:H5M* 1:C_11:H6 3.390 3.720 50.00 50.00 1000.00
1:T3'_12:H5M* 1:C_11:H5 3.800 4.280 50.00 50.00 1000.00
1:C_14:H5 1:T5'_13:H6 1.900 6.530 50.00 50.00 1000.00
1:T_15:H1' 1:G_2:H8 3.240 3.920 50.00 50.00 1000.00
1:T_15:H2'1 1:T_15:H1' 1.860 2.290 50.00 50.00 1000.00
1:T_15:H2'2 1:T_15:H1' 2.130 4.090 50.00 50.00 1000.00
1:T_15:H6 1:T_15:H1' 2.730 4.110 50.00 50.00 1000.00
1:T_15:H6 1:T_15:H2'2 1.880 2.240 50.00 50.00 1000.00
1:T_15:H5M* 1:C_14:H6 3.370 3.720 50.00 50.00 1000.00
1:T_15:H5M* 1:C_14:H5 3.530 4.220 50.00 50.00 1000.00
1:T_16:H1' 1:A_3:H8 2.970 3.500 50.00 50.00 1000.00
1:T_16:H6 1:T_15:H1' 1.870 5.230 50.00 50.00 1000.00
1:T_16:H6 1:T_15:H2'1 2.080 3.180 50.00 50.00 1000.00
1:T_16:H6 1:T_15:H2'2 2.240 3.640 50.00 50.00 1000.00
1:T_16:H6 1:T_16:H1' 2.990 4.010 50.00 50.00 1000.00
1:T_16:H5M* 1:T_15:H1' 5.230 6.930 50.00 50.00 1000.00
1:T_16:H5M* 1:T_15:H2'1 3.320 4.500 50.00 50.00 1000.00
1:T_16:H5M* 1:T_15:H2'2 3.500 4.560 50.00 50.00 1000.00
1:T_16:H5M* 1:T_15:H6 3.550 3.860 50.00 50.00 1000.00
1:C_17:H1' 1:A_4:H8 2.900 3.470 50.00 50.00 1000.00
1:C_17:H1' 1:G_5:H8 4.680 6.150 50.00 50.00 1000.00
1:C_17:H5 1:T_16:H6 3.040 4.760 50.00 50.00 1000.00
1:C_17:H5 1:T_16:H5M* 3.970 4.910 50.00 50.00 1000.00
1:T3'_18:H1' 1:G_5:H8 3.720 4.360 50.00 50.00 1000.00
1:T3'_18:H6 1:T3'_18:H1' 3.040 3.750 50.00 50.00 1000.00
1:T3'_18:H5M* 1:C_17:H1' 5.040 6.630 50.00 50.00 1000.00
1:T3'_18:H5M* 1:C_17:H6 3.410 3.920 50.00 50.00 1000.00
1:T3'_18:H5M* 1:C_17:H5 3.760 4.280 50.00 50.00 1000.00
1:A5'_1:H1' 1:A5'_1:H2'1 1.830 2.350 50.00 50.00 1000.00
1:A5'_1:H1' 1:G_2:H8 2.520 4.690 50.00 50.00 1000.00
1:A5'_1:H3' 1:A5'_1:H8 3.070 5.410 50.00 50.00 1000.00
1:A5'_1:H3' 1:G_2:H8 3.520 5.710 50.00 50.00 1000.00
1:G_2:H1' 1:G_2:H2'2 2.180 2.880 50.00 50.00 1000.00
1:G_2:H1' 1:G_2:H8 2.320 5.430 50.00 50.00 1000.00
1:A5'_1:H2'2 1:G_2:H8 2.150 3.070 50.00 50.00 1000.00
1:G_2:H2'1 1:A_3:H8 2.120 2.670 50.00 50.00 1000.00
1:G_2:H3' 1:G_2:H8 3.260 6.070 50.00 50.00 1000.00
1:G_2:H3' 1:A_3:H8 4.020 5.960 50.00 50.00 1000.00
1:A_3:H2'1 1:A_3:H4' 2.450 3.580 50.00 50.00 1000.00
1:A_3:H2'1 1:A_3:H8 2.410 5.000 50.00 50.00 1000.00
1:A_3:H2'1 1:A_4:H4' 3.100 3.990 50.00 50.00 1000.00
1:A_3:H2'1 1:A_4:H8 2.140 2.550 50.00 50.00 1000.00
1:A_3:H2'2 1:A_3:H4' 2.860 4.350 50.00 50.00 1000.00
1:A_3:H2'2 1:A_3:H8 2.110 2.580 50.00 50.00 1000.00
1:A_3:H2'2 1:A_4:H8 2.290 2.760 50.00 50.00 1000.00
1:A_3:H3' 1:A_3:H8 3.320 5.590 50.00 50.00 1000.00
1:A_3:H3' 1:A_4:H8 3.030 4.760 50.00 50.00 1000.00
1:A_4:H1' 1:A_4:H2'1 1.930 2.320 50.00 50.00 1000.00
1:A_4:H1' 1:A_4:H2 3.870 4.450 50.00 50.00 1000.00
1:A_4:H1' 1:G_5:H8 4.500 5.500 50.00 50.00 1000.00
1:A_4:H2'2 1:A_4:H8 2.090 2.350 50.00 50.00 1000.00
1:A_4:H2'2 1:G_5:H8 2.390 3.510 50.00 50.00 1000.00
1:A_4:H3' 1:A_4:H8 3.070 5.100 50.00 50.00 1000.00
1:A_4:H3' 1:G_5:H8 3.720 6.750 50.00 50.00 1000.00
1:G_5:H2'2 1:G_5:H8 2.040 2.420 50.00 50.00 1000.00
1:A3'_6:H1' 1:A3'_6:H3' 3.220 4.520 50.00 50.00 1000.00
1:A3'_6:H1' 1:A3'_6:H8 3.010 3.980 50.00 50.00 1000.00
1:A3'_6:H1' 1:A3'_6:H2 3.780 4.000 50.00 50.00 1000.00
1:G_5:H2'1 1:A3'_6:H8 2.200 2.660 50.00 50.00 1000.00
1:A3'_6:H2'2 1:A3'_6:H8 2.100 2.460 50.00 50.00 1000.00
1:T5'_7:H1' 1:T5'_7:H2'1 1.690 2.250 50.00 50.00 1000.00
1:T5'_7:H1' 1:T5'_7:H3' 2.840 4.350 50.00 50.00 1000.00
1:T5'_7:H1' 1:T5'_7:H6 2.450 4.110 50.00 50.00 1000.00
1:T5'_7:H1' 1:C_8:H6 3.500 4.500 50.00 50.00 1000.00
1:T5'_7:H2'2 1:T5'_7:H6 1.660 2.020 50.00 50.00 1000.00
1:T5'_7:H2'2 1:C_8:H6 3.800 4.820 50.00 50.00 1000.00
1:C_8:H2'1 1:C_8:H6 1.750 4.020 50.00 50.00 1000.00
1:C_8:H2'1 1:T_9:H6 2.500 3.760 50.00 50.00 1000.00
1:C_8:H2'1 1:T_9:H5M* 2.860 4.610 50.00 50.00 1000.00
1:C_8:H2'2 1:C_8:H6 1.770 2.100 50.00 50.00 1000.00
1:C_8:H2'2 1:C_8:H5 3.250 6.160 50.00 50.00 1000.00
1:C_8:H2'2 1:T_9:H6 1.820 2.500 50.00 50.00 1000.00
1:C_8:H2'2 1:T_9:H5M* 2.800 3.450 50.00 50.00 1000.00
1:C_8:H3' 1:C_8:H6 2.630 4.470 50.00 50.00 1000.00
1:C_8:H3' 1:T_9:H6 4.500 5.500 50.00 50.00 1000.00
1:C_8:H3' 1:T_9:H5M* 4.500 5.200 50.00 50.00 1000.00
1:T5'_7:H5M* 1:C_8:H5 4.320 5.540 50.00 50.00 1000.00
1:T_9:H2'1 1:T_9:H6 1.800 3.710 50.00 50.00 1000.00
1:T_9:H2'1 1:T_10:H6 1.710 2.370 50.00 50.00 1000.00
1:T_9:H2'1 1:T_10:H5M* 4.000 5.710 50.00 50.00 1000.00
1:T_9:H2'2 1:T_9:H6 1.760 2.270 50.00 50.00 1000.00
1:T_9:H2'2 1:T_10:H5M* 2.640 3.170 50.00 50.00 1000.00
1:T_9:H3' 1:T_9:H6 2.540 4.100 50.00 50.00 1000.00
1:T_9:H3' 1:T_10:H5M* 3.890 5.000 50.00 50.00 1000.00
1:T_10:H2'1 1:C_11:H6 1.960 2.480 50.00 50.00 1000.00
1:T_10:H2'1 1:C_11:H5 2.460 4.190 50.00 50.00 1000.00
1:T_9:H1' 1:T_10:H5M* 4.260 5.460 50.00 50.00 1000.00
1:A_3:H2 1:C_11:H1' 3.530 3.950 50.00 50.00 1000.00
1:T_10:H2'2 1:C_11:H6 2.000 3.000 50.00 50.00 1000.00
1:T_10:H2'2 1:C_11:H5 2.420 3.680 50.00 50.00 1000.00
1:T_10:H3' 1:C_11:H6 4.750 6.000 50.00 50.00 1000.00
1:T_10:H3' 1:C_11:H5 4.030 5.660 50.00 50.00 1000.00
1:C_11:H2'1 1:C_11:H1' 1.820 2.180 50.00 50.00 1000.00
1:C_11:H2'1 1:C_11:H6 1.920 4.110 50.00 50.00 1000.00
1:C_11:H2'1 1:T3'_12:H6 2.130 2.660 50.00 50.00 1000.00
1:C_11:H2'1 1:T3'_12:H5M* 3.460 4.500 50.00 50.00 1000.00
1:C_11:H2'2 1:C_11:H6 1.900 2.290 50.00 50.00 1000.00
1:C_11:H2'2 1:C_11:H5 3.480 6.170 50.00 50.00 1000.00
1:C_11:H2'2 1:T3'_12:H5M* 3.500 4.340 50.00 50.00 1000.00
1:C_11:H3' 1:C_11:H6 2.670 3.700 50.00 50.00 1000.00
1:C_11:H3' 1:T3'_12:H5M* 3.640 4.170 50.00 50.00 1000.00
1:T3'_12:H1' 1:T3'_12:H3' 3.570 4.830 50.00 50.00 1000.00
1:T3'_12:H1' 1:T3'_12:H6 3.340 4.250 50.00 50.00 1000.00
1:T3'_12:H2'1 1:T3'_12:H1' 1.900 2.380 50.00 50.00 1000.00
1:T5'_13:H1' 1:T5'_13:H6 2.490 5.790 50.00 50.00 1000.00
1:T5'_13:H1' 1:C_14:H6 2.320 3.180 50.00 50.00 1000.00
1:T5'_13:H1' 1:C_14:H5 3.310 6.630 50.00 50.00 1000.00
1:T5'_13:H2'1 1:C_14:H6 2.750 3.150 50.00 50.00 1000.00
1:T5'_13:H2'2 1:T5'_13:H6 1.720 2.110 50.00 50.00 1000.00
1:T5'_13:H2'2 1:C_14:H6 3.100 4.550 50.00 50.00 1000.00
1:T5'_13:H3' 1:T5'_13:H6 2.330 3.810 50.00 50.00 1000.00
1:T5'_13:H3' 1:C_14:H6 3.500 4.750 50.00 50.00 1000.00
1:C_14:H2'2 1:C_14:H6 1.930 2.580 50.00 50.00 1000.00
1:C_14:H2'2 1:T_15:H6 2.190 2.600 50.00 50.00 1000.00
1:C_14:H2'2 1:T_15:H5M* 3.010 3.680 50.00 50.00 1000.00
1:T5'_13:H5M* 1:C_14:H5 4.410 5.800 50.00 50.00 1000.00
1:C_14:H1' 1:T_15:H6 3.260 5.470 50.00 50.00 1000.00
1:C_14:H1' 1:T_15:H5M* 4.800 6.750 50.00 50.00 1000.00
1:T_15:H3' 1:T_15:H6 2.540 4.130 50.00 50.00 1000.00
1:T_15:H3' 1:T_16:H6 4.750 6.000 50.00 50.00 1000.00
1:T_15:H3' 1:T_16:H5M* 3.820 4.160 50.00 50.00 1000.00
1:C_14:H2'1 1:T_15:H5M* 3.140 4.490 50.00 50.00 1000.00
1:T_16:H2'1 1:T_16:H6 1.550 4.840 50.00 50.00 1000.00
1:T_16:H2'1 1:C_17:H5 2.470 4.080 50.00 50.00 1000.00
1:T_16:H2'2 1:T_16:H6 1.810 2.280 50.00 50.00 1000.00
1:T_16:H2'2 1:C_17:H6 2.000 2.600 50.00 50.00 1000.00
1:T_16:H2'2 1:C_17:H5 2.700 3.440 50.00 50.00 1000.00
1:T_16:H3' 1:T_16:H6 2.440 3.790 50.00 50.00 1000.00
1:T_16:H3' 1:C_17:H6 4.500 5.750 50.00 50.00 1000.00
1:T_16:H3' 1:C_17:H5 3.750 4.760 50.00 50.00 1000.00
1:C_17:H2'2 1:C_17:H6 1.800 2.200 50.00 50.00 1000.00
1:C_17:H2'2 1:C_17:H5 2.990 6.160 50.00 50.00 1000.00
1:C_17:H2'2 1:T3'_18:H5M* 3.500 4.000 50.00 50.00 1000.00
1:C_17:H3' 1:C_17:H6 3.500 4.500 50.00 50.00 1000.00
1:C_17:H3' 1:C_17:H5 3.800 5.040 50.00 50.00 1000.00
1:C_17:H3' 1:T3'_18:H6 2.690 3.850 50.00 50.00 1000.00
1:C_17:H3' 1:T3'_18:H5M* 3.530 4.670 50.00 50.00 1000.00
1:C_17:H2'1 1:T3'_18:H6 1.940 2.880 50.00 50.00 1000.00
1:C_17:H2'1 1:T3'_18:H5M* 3.400 6.190 50.00 50.00 1000.00
1:T3'_12:H2'2 1:T3'_12:H1' 1.910 4.120 50.00 50.00 1000.00
!
!qualitative constrains (2.6-3.5-5)
1:A5'_1:H8 1:A5'_1:H1' 3.000 5.000 50.00 50.00 1000.000
1:A5'_1:H8 1:A5'_1:H2'2 2.000 2.600 50.00 50.00 1000.000
1:A_3:H8 1:A_3:H1' 3.000 5.000 50.00 50.00 1000.000
1:A_3:H8 1:G_2:H1' 3.000 5.000 50.00 50.00 1000.000
1:A_4:H8 1:A_4:H1' 3.000 5.000 50.00 50.00 1000.000
1:A_4:H8 1:A_3:H1' 3.000 5.000 50.00 50.00 1000.000
1:G_5:H8 1:A_4:H2'1 2.000 3.500 50.00 50.00 1000.000
1:A3'_6:H8 1:G_5:H2'2 2.000 3.500 50.00 50.00 1000.000
1:T_9:H6 1:T_9:H1' 3.000 5.000 50.00 50.00 1000.000
1:T_9:H6 1:C_8:H1' 3.000 5.000 50.00 50.00 1000.000
1:T_10:H6 1:T_10:H1' 3.000 5.000 50.00 50.00 1000.000
1:T_10:H6 1:T_9:H1' 3.000 5.000 50.00 50.00 1000.000
1:T_10:H6 1:T_10:H3' 3.000 5.000 50.00 50.00 1000.000
1:T_10:H6 1:T_9:H3' 3.000 5.000 50.00 50.00 1000.000
1:C_11:H6 1:C_11:H1' 3.000 5.000 50.00 50.00 1000.000
1:C_11:H6 1:T_10:H1' 3.000 5.000 50.00 50.00 1000.000
1:T3'_12:H6 1:C_11:H1' 3.000 5.000 50.00 50.00 1000.000
1:T3'_12:H6 1:T3'_12:H3' 3.000 5.000 50.00 50.00 1000.000
1:T3'_12:H6 1:C_11:H3' 3.000 5.000 50.00 50.00 1000.000
1:C_14:H6 1:C_14:H1' 3.000 5.000 50.00 50.00 1000.000
1:T_15:H6 1:C_14:H3' 3.000 5.000 50.00 50.00 1000.000
1:T_15:H6 1:C_14:H2'1 2.000 3.500 50.00 50.00 1000.000
1:C_17:H6 1:C_17:H1' 3.000 5.000 50.00 50.00 1000.000
1:C_17:H6 1:T_16:H1' 3.000 5.000 50.00 50.00 1000.000
1:T3'_18:H6 1:C_17:H1' 3.000 5.000 50.00 50.00 1000.000
!
!low bounds
1:A5'_1:H1' 1:G_2:H2'2 4.500 50.000 50.00 50.00 1000.000
1:A_4:H1' 1:G_5:H2'2 4.500 50.000 50.00 50.00 1000.000
1:G_5:H1' 1:A3'_6:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T5'_7:H1' 1:C_8:H2'2 4.500 50.000 50.00 50.00 1000.000
1:C_14:H1' 1:T_15:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T5'_13:H1' 1:C_14:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T_15:H1' 1:T_16:H2'2 4.500 50.000 50.00 50.00 1000.000
1:A5'_1:H1' 1:G_2:H2'1 4.500 50.000 50.00 50.00 1000.000
1:G_5:H1' 1:A3'_6:H2'1 4.500 50.000 50.00 50.00 1000.000
1:T5'_7:H1' 1:C_8:H2'1 4.500 50.000 50.00 50.00 1000.000
1:C_11:H1' 1:T3'_12:H2'1 4.500 50.000 50.00 50.00 1000.000
1:T5'_13:H1' 1:C_14:H2'1 4.500 50.000 50.00 50.00 1000.000
1:T_15:H1' 1:T_16:H2'1 4.500 50.000 50.00 50.00 1000.000
!
1:G_2:H1' 1:A5'_1:H2'2 4.500 50.000 50.00 50.00 1000.000
1:G_5:H1' 1:A_4:H2'2 4.500 50.000 50.00 50.00 1000.000
1:A3'_6:H1' 1:G_5:H2'1 4.500 50.000 50.00 50.00 1000.000
1:C_8:H1' 1:T5'_7:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T3'_12:H1' 1:C_11:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T3'_12:H1' 1:C_11:H2'1 4.500 50.000 50.00 50.00 1000.000
1:T_15:H1' 1:C_14:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T_15:H1' 1:C_14:H2'1 4.500 50.000 50.00 50.00 1000.000
1:T_16:H1' 1:T_15:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T3'_18:H1' 1:C_17:H2'2 4.500 50.000 50.00 50.00 1000.000
1:T3'_18:H1' 1:C_17:H2'1 4.500 50.000 50.00 50.00 1000.000
!
1:A5'_1:H1' 1:G_2:H3' 4.500 50.000 50.00 50.00 1000.000
1:A_4:H1' 1:G_5:H3' 4.500 50.000 50.00 50.00 1000.000
1:G_5:H1' 1:A3'_6:H3' 4.500 50.000 50.00 50.00 1000.000
1:T5'_7:H1' 1:C_8:H3' 4.500 50.000 50.00 50.00 1000.000
1:C_11:H1' 1:T3'_12:H3' 4.500 50.000 50.00 50.00 1000.000
1:C_17:H1' 1:T3'_18:H3' 4.500 50.000 50.00 50.00 1000.000
1:T_15:H1' 1:T_16:H3' 4.500 50.000 50.00 50.00 1000.000
!
1:G_2:H1' 1:A5'_1:H3' 4.500 50.000 50.00 50.00 1000.000
1:G_5:H1' 1:A_4:H3' 4.500 50.000 50.00 50.00 1000.000
1:A3'_6:H1' 1:G_5:H3' 4.500 50.000 50.00 50.00 1000.000
1:T3'_12:H1' 1:C_11:H3' 4.500 50.000 50.00 50.00 1000.000
1:T3'_18:H1' 1:C_17:H3' 4.500 50.000 50.00 50.00 1000.000
!
1:T5'_7:H5M* 1:T_16:H5M* 4.500 50.000 50.00 50.00 1000.000
1:T5'_13:H5M* 1:T_10:H5M* 4.500 50.000 50.00 50.00 1000.000
1:C_8:H5 1:T_15:H5M* 5.000 50.000 50.00 50.00 1000.000
1:C_14:H5 1:T_9:H5M* 5.000 50.000 50.00 50.00 1000.000
1:G_2:H3' 1:T_15:H1' 5.000 50.000 50.00 50.00 1000.000
;
4 1 321 72 parsed_1bcb 2
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bcb
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 2 G O5' 1 2 G C5' 1 2 G C4' 1 2 G C3' parsed_1bcb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' parsed_1bcb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 6 A3' O5' 1 6 A3' C5' 1 6 A3' C4' 1 6 A3' C3' parsed_1bcb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 12 T3' O5' 1 12 T3' C5' 1 12 T3' C4' 1 12 T3' C3' parsed_1bcb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 18 T3' O5' 1 18 T3' C5' 1 18 T3' C4' 1 18 T3' C3' parsed_1bcb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 15 T O5' 1 15 T C5' 1 15 T C4' 1 15 T C3' parsed_1bcb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.000 90.000 . 1 14 C O5' 1 14 C C5' 1 14 C C4' 1 14 C C3' parsed_1bcb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 1 A5' C6 1 1 A5' N6 1 12 T3' O4 1 12 T3' C4 parsed_1bcb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 1 A5' C6 1 1 A5' N1 1 12 T3' N3 1 12 T3' C4 parsed_1bcb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 3 A C6 1 3 A N6 1 10 T O4 1 10 T C4 parsed_1bcb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 3 A C6 1 3 A N1 1 10 T N3 1 10 T C4 parsed_1bcb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 4 A C6 1 4 A N6 1 9 T O4 1 9 T C4 parsed_1bcb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 4 A C6 1 4 A N1 1 9 T N3 1 9 T C4 parsed_1bcb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 6 A3' C6 1 6 A3' N6 1 7 T5' O4 1 7 T5' C4 parsed_1bcb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 6 A3' C6 1 6 A3' N1 1 7 T5' N3 1 7 T5' C4 parsed_1bcb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 2 G C6 1 2 G O6 1 11 C N4 1 11 C C4 parsed_1bcb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 2 G C2 1 2 G N2 1 11 C O2 1 11 C C2 parsed_1bcb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 5 G C6 1 5 G O6 1 8 C N4 1 8 C C4 parsed_1bcb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 5 G C2 1 5 G N2 1 8 C O2 1 8 C C2 parsed_1bcb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 13 T5' C4 1 13 T5' O4 1 1 A5' N6 1 1 A5' C6 parsed_1bcb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 13 T5' C4 1 13 T5' N3 1 1 A5' N7 1 1 A5' C5 parsed_1bcb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 15 T C4 1 15 T O4 1 3 A N6 1 3 A C6 parsed_1bcb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 15 T C4 1 15 T N3 1 3 A N7 1 3 A C5 parsed_1bcb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 16 T C4 1 16 T O4 1 4 A N6 1 4 A C6 parsed_1bcb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 16 T C4 1 16 T N3 1 4 A N7 1 4 A C5 parsed_1bcb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 18 T3' C4 1 18 T3' O4 1 6 A3' N6 1 6 A3' C6 parsed_1bcb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 18 T3' C4 1 18 T3' N3 1 6 A3' N7 1 6 A3' C5 parsed_1bcb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 14 C C4 1 14 C N4 1 2 G O6 1 2 G C6 parsed_1bcb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 14 C C4 1 14 C N3 1 2 G N7 1 2 G C5 parsed_1bcb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 17 C C4 1 17 C N4 1 5 G O6 1 5 G C6 parsed_1bcb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 10.000 . 1 17 C C4 1 17 C N3 1 5 G N7 1 5 G C5 parsed_1bcb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 1 A5' O4' 1 1 A5' C1' 1 1 A5' C2' 1 1 A5' C3' parsed_1bcb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 2 G O4' 1 2 G C1' 1 2 G C2' 1 2 G C3' parsed_1bcb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 3 A O4' 1 3 A C1' 1 3 A C2' 1 3 A C3' parsed_1bcb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 4 A O4' 1 4 A C1' 1 4 A C2' 1 4 A C3' parsed_1bcb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 5 G O4' 1 5 G C1' 1 5 G C2' 1 5 G C3' parsed_1bcb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 6 A3' O4' 1 6 A3' C1' 1 6 A3' C2' 1 6 A3' C3' parsed_1bcb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 7 T5' O4' 1 7 T5' C1' 1 7 T5' C2' 1 7 T5' C3' parsed_1bcb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 10 T O4' 1 10 T C1' 1 10 T C2' 1 10 T C3' parsed_1bcb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 12 T3' O4' 1 12 T3' C1' 1 12 T3' C2' 1 12 T3' C3' parsed_1bcb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.000 50.000 . 1 13 T5' O4' 1 13 T5' C1' 1 13 T5' C2' 1 13 T5' C3' parsed_1bcb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 1 A5' C1' 1 1 A5' C2' 1 1 A5' C3' 1 1 A5' C4' parsed_1bcb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 2 G C1' 1 2 G C2' 1 2 G C3' 1 2 G C4' parsed_1bcb 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 3 A C1' 1 3 A C2' 1 3 A C3' 1 3 A C4' parsed_1bcb 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 4 A C1' 1 4 A C2' 1 4 A C3' 1 4 A C4' parsed_1bcb 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 5 G C1' 1 5 G C2' 1 5 G C3' 1 5 G C4' parsed_1bcb 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 6 A3' C1' 1 6 A3' C2' 1 6 A3' C3' 1 6 A3' C4' parsed_1bcb 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 7 T5' C1' 1 7 T5' C2' 1 7 T5' C3' 1 7 T5' C4' parsed_1bcb 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 10 T C1' 1 10 T C2' 1 10 T C3' 1 10 T C4' parsed_1bcb 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 12 T3' C1' 1 12 T3' C2' 1 12 T3' C3' 1 12 T3' C4' parsed_1bcb 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 -15.000 . 1 13 T5' C1' 1 13 T5' C2' 1 13 T5' C3' 1 13 T5' C4' parsed_1bcb 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
;
NMR_dihedral
gamma
;
1 1 4 6 parsed_1bcb 1
2 "planarity constrains" 12 1 15 21 parsed_1bcb 1
3 "WC CG" 24 1 25 7 parsed_1bcb 1
4 hoogsteen 30 1 31 11 parsed_1bcb 1
5 V1 44 1 45 3 parsed_1bcb 1
6 V2 56 1 57 3 parsed_1bcb 1
stop_
save_
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