NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
29761 |
1bcb   |
cing | 2-parsed | STAR | distance | NOE | simple |
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" 0 parsed_1bcb 1
1 1bcb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 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 1
_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 1
2 "non exchangeables" 75 1 76 19 parsed_1bcb 1
3 "qualitative constrains (2.6-3.5-5)" 248 1 249 36 parsed_1bcb 1
4 "low bounds" 275 1 276 12 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
;
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 1
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