NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
607651 | 2n5o | 25723 | cing | 2-parsed | STAR | dihedral angle |
data_2n5o_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2n5o _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_2n5o 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2n5o _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 2n5o "Master copy" parsed_2n5o stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2n5o _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 2n5o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n5o 1 1 2n5o.mr . . AMBER 2 distance NOE simple 0 parsed_2n5o 1 1 2n5o.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n5o 1 1 2n5o.mr . . AMBER 4 distance NOE simple 0 parsed_2n5o 1 1 2n5o.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2n5o 1 1 2n5o.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n5o 1 1 2n5o.mr . . AMBER 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n5o 1 1 2n5o.mr . . AMBER 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n5o 1 1 2n5o.mr . . unknown 9 unknown "Not applicable" "Not applicable" 0 parsed_2n5o 1 1 2n5o.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n5o 1 stop_ save_ save_CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2n5o _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 ; # BACKBONE TORSION ANGLE RESTRAINTS # See below for CTNOESY epsilon restraints # torsion angle constraint number t gamma &rst iat = 1, 1, 1, 1, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #============================================================================ # torsion angle constraint number 2 zeta &rst iat = 1, 1, 2, 2, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 1, 2, 2, 2, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 2, 2, 2, 2, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #================================================================================= # torsion angle constraint number 2 zeta &rst iat = 2, 2, 3, 3, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 2, 3, 3, 3, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 3, 3, 3, 3, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #============================================================================== # torsion angle constraint number 2 zeta &rst iat = 3, 3, 4, 4, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 3, 4, 4, 4, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 4, 4, 4, 4, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #=========================================================================== torsion angle constraint number 2 zeta &rst iat = 4, 4, 5, 5, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # no restraints for UB backbone (aside from delta from sugar and epsilon below) # torsion angle constraint number 4 beta &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 6, 6, 6, 6, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #=========================================================================== # torsion angle constraint number 2 zeta &rst iat = 6, 6, 7, 7, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 6, 7, 7, 7, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 7, 7, 7, 7, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #=========================================================================== # torsion angle constraint number 2 zeta &rst iat = 7, 7, 8, 8, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 7, 8, 8, 8, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 8, 8, 8, 8, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #========================================================================= # torsion angle constraint number 2 zeta &rst iat = 8, 8, 9, 9, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 8, 9, 9, 9, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 9, 9, 9, 9, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #2nd Strand ============================================================ # torsion angle constraint number t gamma &rst iat = 10, 10, 10, 10, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #==================================================================== # torsion angle constraint number 2 zeta &rst iat = 10, 10, 11, 11, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 10, 11, 11, 11, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 11, 11, 11, 11, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #======================================================================== # torsion angle constraint number 2 zeta &rst iat = 11, 11, 12, 12, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 11, 12, 12, 12, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 12, 12, 12, 12, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #============================================================= # torsion angle constraint number 2 zeta &rst iat = 12, 12, 13, 13, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 12, 13, 13, 13, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 13, 13, 13, 13, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #================================================================== # torsion angle constraint number 2 zeta &rst iat = 13, 13, 14, 14, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 13, 14, 14, 14, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 14, 14, 14, 14, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #========================================================================= # torsion angle constraint number 2 zeta &rst iat = 14, 14, 15, 15, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 14, 15, 15, 15, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 15, 15, 15, 15, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #======================================================================== # torsion angle constraint number 2 zeta &rst iat = 15, 15, 16, 16, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 15, 16, 16, 16, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 16, 16, 16, 16, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #========================================================================= # torsion angle constraint number 2 zeta &rst iat = 16, 16, 17, 17, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 16, 17, 17, 17, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 17, 17, 17, 17, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / #======================================================================== # torsion angle constraint number 2 zeta &rst iat = 17, 17, 18, 18, iresid = 1, atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', r1 = 140.2, r2 = 150.2, r3 = 315.2, r4 = 325.2, rk2 = 50.0002, rk3 = 50.0002, / # torsion angle constraint number 3 alpha &rst iat = 17, 18, 18, 18, iresid = 1, atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3, rk2 = 50.0003, rk3 = 50.0003, / # torsion angle constraint number 4 beta &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', r1 = 125.4, r2 = 135.4, r3 = 215.4, r4 = 225.4, rk2 = 50.0004, rk3 = 50.0004, / # torsion angle constraint number 5 gamma &rst iat = 18, 18, 18, 18, iresid = 1, atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5, rk2 = 50.0005, rk3 = 50.0005, / ; 1 1 328 38 parsed_2n5o 1 stop_ save_
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