NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
35098 | 1kyj | 5301 | cing | 2-parsed | STAR | entry | full | 110 |
data_1kyj_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1kyj _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_1kyj 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1kyj _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 1kyj "Master copy" parsed_1kyj stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1kyj _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 1kyj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kyj 1 1 1kyj.mr . . XPLOR/CNS 2 distance NOE ambi 107 parsed_1kyj 1 1 1kyj.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1kyj 1 1 1kyj.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kyj 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_1kyj _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 GLYCOPROTEIN, IMMUNE SYSTEM 04-FEB-02 1KYJ *TITLE TUMOR ASSOCIATED MUCIN MOTIF FROM CD43 PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LEUKOSIALIN (CD43) FRAGMENT; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: N-TERMINAL GLYCOPENTAPEPTIDE; *COMPND 5 SYNONYM: PENTAPEPTIDE FRAGMENT OF SIALOPHORIN; *COMPND 6 ENGINEERED: YES; *COMPND 7 OTHER_DETAILS: SER A 1, THR A 2, THR A 3 MODIFIED WITH *COMPND 8 GLYCOSYLATION BY STF ANTIGEN *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: FRAGMENT OF HUMAN SEQUENCE *KEYWDS LEUKOSIALIN, CD43, MUCIN GLYCOPROTEIN *EXPDTA NMR, 59 STRUCTURES *AUTHOR D.M.COLTART, L.J.WILLIAMS, P.W.GLUNZ, D.SAMES, S.D.KUDUK, *AUTHOR 2 J.B.SCHWARZ, X.-T.CHEN, A.K.ROYYURU, S.D.DANISHEFSKY, *AUTHOR 3 D.H.LIVE *REVDAT 1 20-FEB-02 1KYJ 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1kyj _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_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_1kyj 1 2 1 . . . parsed_1kyj 1 3 1 . . . parsed_1kyj 1 4 1 . . . parsed_1kyj 1 5 1 . . . parsed_1kyj 1 6 1 . . . parsed_1kyj 1 7 1 . . . parsed_1kyj 1 8 1 . . . parsed_1kyj 1 9 1 . . . parsed_1kyj 1 10 1 . . . parsed_1kyj 1 11 1 . . . parsed_1kyj 1 12 1 . . . parsed_1kyj 1 13 1 . . . parsed_1kyj 1 14 1 . . . parsed_1kyj 1 15 1 . . . parsed_1kyj 1 16 1 . . . parsed_1kyj 1 17 1 . . . parsed_1kyj 1 18 1 . . . parsed_1kyj 1 19 1 . . . parsed_1kyj 1 20 1 . . . parsed_1kyj 1 21 1 . . . parsed_1kyj 1 22 1 . . . parsed_1kyj 1 23 1 . . . parsed_1kyj 1 24 1 . . . parsed_1kyj 1 25 1 . . . parsed_1kyj 1 26 1 . . . parsed_1kyj 1 27 1 . . . parsed_1kyj 1 28 1 . . . parsed_1kyj 1 29 1 . . . parsed_1kyj 1 30 1 . . . parsed_1kyj 1 31 1 . . . parsed_1kyj 1 32 1 . . . parsed_1kyj 1 33 1 . . . parsed_1kyj 1 34 1 . . . parsed_1kyj 1 35 1 . . . parsed_1kyj 1 36 1 . . . parsed_1kyj 1 37 1 . . . parsed_1kyj 1 38 1 . . . parsed_1kyj 1 39 1 . . . parsed_1kyj 1 40 1 . . . parsed_1kyj 1 41 1 . . . parsed_1kyj 1 42 1 . . . parsed_1kyj 1 43 1 . . . parsed_1kyj 1 44 1 . . . parsed_1kyj 1 45 1 . . . parsed_1kyj 1 46 1 . . . parsed_1kyj 1 47 1 . . . parsed_1kyj 1 48 1 . . . parsed_1kyj 1 49 1 . . . parsed_1kyj 1 50 1 . . . parsed_1kyj 1 51 1 . . . parsed_1kyj 1 52 1 . . . parsed_1kyj 1 53 1 . . . parsed_1kyj 1 54 1 . . . parsed_1kyj 1 55 1 . . . parsed_1kyj 1 56 1 . . . parsed_1kyj 1 57 1 . . . parsed_1kyj 1 58 1 . . . parsed_1kyj 1 59 1 . . . parsed_1kyj 1 60 1 . . . parsed_1kyj 1 61 1 . . . parsed_1kyj 1 62 1 . . . parsed_1kyj 1 63 1 . . . parsed_1kyj 1 64 1 . . . parsed_1kyj 1 65 1 . . . parsed_1kyj 1 66 1 . . . parsed_1kyj 1 67 1 . . . parsed_1kyj 1 68 1 . . . parsed_1kyj 1 69 1 . . . parsed_1kyj 1 70 1 . . . parsed_1kyj 1 71 1 . . . parsed_1kyj 1 72 1 . . . parsed_1kyj 1 73 1 . . . parsed_1kyj 1 74 1 . . . parsed_1kyj 1 75 1 . . . parsed_1kyj 1 76 1 . . . parsed_1kyj 1 77 1 . . . parsed_1kyj 1 78 1 . . . parsed_1kyj 1 79 1 . . . parsed_1kyj 1 80 1 . . . parsed_1kyj 1 81 1 . . . parsed_1kyj 1 82 1 . . . parsed_1kyj 1 83 1 . . . parsed_1kyj 1 84 1 . . . parsed_1kyj 1 85 1 . . . parsed_1kyj 1 86 1 . . . parsed_1kyj 1 87 1 . . . parsed_1kyj 1 88 1 . . . parsed_1kyj 1 89 1 . . . parsed_1kyj 1 90 1 . . . parsed_1kyj 1 91 1 . . . parsed_1kyj 1 92 1 . . . parsed_1kyj 1 93 1 . . . parsed_1kyj 1 94 1 . . . parsed_1kyj 1 95 1 . . . parsed_1kyj 1 96 1 . . . parsed_1kyj 1 97 1 . . . parsed_1kyj 1 98 1 . . . parsed_1kyj 1 99 1 . . . parsed_1kyj 1 100 1 . . . parsed_1kyj 1 101 1 . . . parsed_1kyj 1 102 1 . . . parsed_1kyj 1 103 1 . . . parsed_1kyj 1 104 1 . . . parsed_1kyj 1 105 1 . . . parsed_1kyj 1 106 1 . . . parsed_1kyj 1 107 1 . . . parsed_1kyj 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 . . . . . . . . . 3 THR HN parsed_1kyj 1 1 1 2 . . . . . . . . . 2 THR HN parsed_1kyj 1 2 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 2 1 2 . . . . . . . . . 4 ALA HN parsed_1kyj 1 3 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 3 1 2 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 4 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 4 1 2 . . . . . . . . . 2 THR HA parsed_1kyj 1 5 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 5 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1 6 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 6 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1 7 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 7 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1 8 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 8 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1 9 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 9 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1 10 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 10 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 11 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 11 1 2 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1 12 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 12 1 2 . . . . . . . . . 13 T3G1 H8* parsed_1kyj 1 13 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 13 1 2 . . . . . . . . . 10 . H3 parsed_1kyj 1 13 1 2 . . . . . . . . . 13 . H3 parsed_1kyj 1 14 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 14 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1 15 1 1 . . . . . . . . . 3 THR HN parsed_1kyj 1 15 1 2 . . . . . . . . . 13 T3G1 H4 parsed_1kyj 1 16 1 1 . . . . . . . . . 3 THR HA parsed_1kyj 1 16 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1 17 1 1 . . . . . . . . . 3 THR HA parsed_1kyj 1 17 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 18 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 18 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1 19 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 19 1 2 . . . . . . . . . 13 T3G1 H3 parsed_1kyj 1 20 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 20 1 2 . . . . . . . . . 13 T3G1 H4 parsed_1kyj 1 21 1 1 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 21 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1 22 1 1 . . . . . . . . . 3 THR HA parsed_1kyj 1 22 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1 23 1 1 . . . . . . . . . 3 THR HB parsed_1kyj 1 23 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1 24 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 24 1 2 . . . . . . . . . 1 SER HN parsed_1kyj 1 25 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 25 1 2 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 26 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 26 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1 27 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 27 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1 28 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 28 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1 29 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 29 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1 30 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 30 1 2 . . . . . . . . . 10 . H3 parsed_1kyj 1 30 1 2 . . . . . . . . . 13 . H3 parsed_1kyj 1 31 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 31 1 2 . . . . . . . . . 2 THR HA parsed_1kyj 1 32 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 32 1 2 . . . . . . . . . 1 SER HA parsed_1kyj 1 33 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 33 1 2 . . . . . . . . . 7 . H1 parsed_1kyj 1 33 1 2 . . . . . . . . . 10 . H1 parsed_1kyj 1 34 1 1 . . . . . . . . . 2 THR HN parsed_1kyj 1 34 1 2 . . . . . . . . . 10 T2G1 H4 parsed_1kyj 1 35 1 1 . . . . . . . . . 2 THR HG2* parsed_1kyj 1 35 1 2 . . . . . . . . . 10 T2G1 H4 parsed_1kyj 1 36 1 1 . . . . . . . . . 2 THR HG2* parsed_1kyj 1 36 1 2 . . . . . . . . . 10 T2G1 H3 parsed_1kyj 1 37 1 1 . . . . . . . . . 2 THR HA parsed_1kyj 1 37 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1 38 1 1 . . . . . . . . . 2 THR HB parsed_1kyj 1 38 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1 39 1 1 . . . . . . . . . 2 THR HG2* parsed_1kyj 1 39 1 2 . . . . . . . . . 2 THR HA parsed_1kyj 1 40 1 1 . . . . . . . . . 2 THR HB parsed_1kyj 1 40 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 41 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1 41 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1 42 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1 42 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1 43 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1 43 1 2 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 44 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1 44 1 2 . . . . . . . . . 1 SER H2* parsed_1kyj 1 45 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1 45 1 2 . . . . . . . . . 1 SER HA parsed_1kyj 1 46 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1 46 1 2 . . . . . . . . . 7 S1G1 H3 parsed_1kyj 1 47 1 1 . . . . . . . . . 1 SER HN parsed_1kyj 1 47 1 2 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1 48 1 1 . . . . . . . . . 1 SER HA parsed_1kyj 1 48 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1 49 1 1 . . . . . . . . . 1 SER HA parsed_1kyj 1 49 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1 50 1 1 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1 50 1 2 . . . . . . . . . 1 SER HB2 parsed_1kyj 1 51 1 1 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1 51 1 2 . . . . . . . . . 1 SER HB1 parsed_1kyj 1 52 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 52 1 2 . . . . . . . . . 5 VAL HN parsed_1kyj 1 53 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 53 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1 54 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 54 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1 55 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 55 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1 56 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 56 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1 57 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 57 1 2 . . . . . . . . . 4 ALA HB* parsed_1kyj 1 58 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 58 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 59 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 59 1 2 . . . . . . . . . 10 T2G1 H8* parsed_1kyj 1 60 1 1 . . . . . . . . . 4 ALA HN parsed_1kyj 1 60 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1 61 1 1 . . . . . . . . . 4 ALA HB* parsed_1kyj 1 61 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1 62 1 1 . . . . . . . . . 4 ALA HB* parsed_1kyj 1 62 1 2 . . . . . . . . . 10 T2G1 H8* parsed_1kyj 1 63 1 1 . . . . . . . . . 4 ALA HA parsed_1kyj 1 63 1 2 . . . . . . . . . 13 T3G1 H8* parsed_1kyj 1 64 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1 64 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1 65 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1 65 1 2 . . . . . . . . . 5 VAL HB parsed_1kyj 1 66 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1 66 1 2 . . . . . . . . . 5 VAL HA parsed_1kyj 1 67 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1 67 1 2 . . . . . . . . . 4 ALA HB* parsed_1kyj 1 68 1 1 . . . . . . . . . 5 VAL HN parsed_1kyj 1 68 1 2 . . . . . . . . . 5 VAL HG* parsed_1kyj 1 69 1 1 . . . . . . . . . 5 VAL HG* parsed_1kyj 1 69 1 2 . . . . . . . . . 4 ALA HA parsed_1kyj 1 70 1 1 . . . . . . . . . 5 VAL HG* parsed_1kyj 1 70 1 2 . . . . . . . . . 5 VAL HA parsed_1kyj 1 71 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 71 1 2 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1 72 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 72 1 2 . . . . . . . . . 7 S1G1 H2 parsed_1kyj 1 73 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 73 1 2 . . . . . . . . . 7 S1G1 H3 parsed_1kyj 1 74 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 74 1 2 . . . . . . . . . 7 S1G1 H8* parsed_1kyj 1 75 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 75 1 2 . . . . . . . . . 1 SER HB* parsed_1kyj 1 76 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 76 1 2 . . . . . . . . . 1 SER HA parsed_1kyj 1 77 1 1 . . . . . . . . . 7 S1G1 HN2 parsed_1kyj 1 77 1 2 . . . . . . . . . 8 S1G3 H1 parsed_1kyj 1 78 1 1 . . . . . . . . . 7 S1G1 H3 parsed_1kyj 1 78 1 2 . . . . . . . . . 8 S1G3 H1 parsed_1kyj 1 79 1 1 . . . . . . . . . 7 S1G1 H1 parsed_1kyj 1 79 1 2 . . . . . . . . . 7 S1G1 H2 parsed_1kyj 1 80 1 1 . . . . . . . . . 7 S1G1 H2 parsed_1kyj 1 80 1 2 . . . . . . . . . 8 S1G3 H1 parsed_1kyj 1 81 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 81 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1 82 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 82 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1 83 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 83 1 2 . . . . . . . . . 13 T3G1 H3 parsed_1kyj 1 84 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 84 1 2 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1 85 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 85 1 2 . . . . . . . . . 13 T3G1 H8* parsed_1kyj 1 86 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 86 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1 87 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 87 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1 88 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 88 1 2 . . . . . . . . . 3 THR HG2* parsed_1kyj 1 89 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 89 1 2 . . . . . . . . . 2 THR HB parsed_1kyj 1 90 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 90 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1 91 1 1 . . . . . . . . . 13 T3G1 HN2 parsed_1kyj 1 91 1 2 . . . . . . . . . 14 T3G3 H1 parsed_1kyj 1 92 1 1 . . . . . . . . . 13 T3G1 H3 parsed_1kyj 1 92 1 2 . . . . . . . . . 14 T3G3 H1 parsed_1kyj 1 93 1 1 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1 93 1 2 . . . . . . . . . 14 T3G3 H1 parsed_1kyj 1 94 1 1 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1 94 1 2 . . . . . . . . . 3 THR HB parsed_1kyj 1 95 1 1 . . . . . . . . . 13 T3G1 H2 parsed_1kyj 1 95 1 2 . . . . . . . . . 13 T3G1 H1 parsed_1kyj 1 96 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 96 1 2 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1 97 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 97 1 2 . . . . . . . . . 3 THR HA parsed_1kyj 1 98 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 98 1 2 . . . . . . . . . 10 T2G1 H2 parsed_1kyj 1 99 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 99 1 2 . . . . . . . . . 10 T2G1 H8* parsed_1kyj 1 100 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 100 1 2 . . . . . . . . . 10 T2G1 H3 parsed_1kyj 1 101 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 101 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 1 102 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 102 1 2 . . . . . . . . . 2 . HA parsed_1kyj 1 102 1 2 . . . . . . . . . 13 . H1 parsed_1kyj 1 103 1 1 . . . . . . . . . 10 T2G1 HN2 parsed_1kyj 1 103 1 2 . . . . . . . . . 11 T2G3 H1 parsed_1kyj 1 104 1 1 . . . . . . . . . 10 T2G1 H2 parsed_1kyj 1 104 1 2 . . . . . . . . . 11 T2G3 H1 parsed_1kyj 1 105 1 1 . . . . . . . . . 10 T2G1 H3 parsed_1kyj 1 105 1 2 . . . . . . . . . 11 T2G3 H1 parsed_1kyj 1 106 1 1 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1 106 1 2 . . . . . . . . . 10 T2G1 H2 parsed_1kyj 1 107 1 1 . . . . . . . . . 10 T2G1 H1 parsed_1kyj 1 107 1 2 . . . . . . . . . 2 THR HG2* parsed_1kyj 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 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 2 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 3 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 4 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 5 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 6 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 7 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 8 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 9 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 10 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 11 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 12 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 13 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 14 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 15 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 16 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 17 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 18 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 19 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 20 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 21 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 22 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 23 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 24 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 25 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 26 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 27 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 28 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 29 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 30 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 31 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 32 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 33 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 34 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 35 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 36 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 37 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 38 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 39 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 40 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 41 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 42 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 43 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 44 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 45 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 46 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 47 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 48 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 49 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 50 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 51 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 52 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 53 1 . . . . . 3.65 1.80 5.50 parsed_1kyj 1 54 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 55 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 56 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 57 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 58 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 59 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 60 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 61 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 62 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 63 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 64 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 65 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 66 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 67 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 68 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 69 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 70 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 71 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 72 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 73 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 74 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 75 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 76 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 77 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 78 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 79 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 80 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 81 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 82 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 83 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 84 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 85 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 86 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 87 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 88 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 89 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 90 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 91 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 92 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 93 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 94 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 95 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 96 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 97 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 98 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 99 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 100 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 101 1 . . . . . 3.65 1.80 5.50 parsed_1kyj 1 102 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 103 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 104 1 . . . . . 3.40 1.80 5.00 parsed_1kyj 1 105 1 . . . . . 2.40 1.80 3.00 parsed_1kyj 1 106 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 1 107 1 . . . . . 2.90 1.80 4.00 parsed_1kyj 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 ; noe scale NOE 75.0 end W 3.40 1.60 1.60 ! W 5.0 M 2.90 1.10 1.10 ! M 4.0 S 2.40 0.60 0.60 ! S 3.0 THR 3 ; 1 1 7 9 parsed_1kyj 1 2 W 10 59 10 62 parsed_1kyj 1 3 W 12 59 12 62 parsed_1kyj 1 4 M 14 59 14 62 parsed_1kyj 1 5 S 16 59 16 62 parsed_1kyj 1 6 S 18 59 18 62 parsed_1kyj 1 7 M 20 59 20 62 parsed_1kyj 1 8 M 22 59 22 62 parsed_1kyj 1 9 M 24 59 24 62 parsed_1kyj 1 10 M 26 59 26 62 parsed_1kyj 1 11 M 28 59 28 62 parsed_1kyj 1 12 W 30 59 30 62 parsed_1kyj 1 13 W 32 59 32 62 parsed_1kyj 1 14 W 34 59 34 62 parsed_1kyj 1 15 W 36 59 36 62 parsed_1kyj 1 16 W 38 59 38 62 parsed_1kyj 1 17 M 42 59 42 62 parsed_1kyj 1 18 S 44 59 44 67 parsed_1kyj 1 19 W 46 59 46 62 parsed_1kyj 1 20 W 48 59 48 62 parsed_1kyj 1 21 W 50 59 50 62 parsed_1kyj 1 22 M 52 59 52 62 parsed_1kyj 1 23 W 54 59 54 62 parsed_1kyj 1 24 ; W THR 2 ; 56 59 59 9 parsed_1kyj 1 25 W 62 59 62 62 parsed_1kyj 1 26 M 64 59 64 62 parsed_1kyj 1 27 M 66 59 66 62 parsed_1kyj 1 28 M 68 59 68 62 parsed_1kyj 1 29 W 70 59 70 62 parsed_1kyj 1 30 M 72 59 72 62 parsed_1kyj 1 31 W 74 59 74 62 parsed_1kyj 1 32 M 76 59 76 62 parsed_1kyj 1 33 S 78 59 78 62 parsed_1kyj 1 34 W 80 59 80 62 parsed_1kyj 1 35 W 82 59 82 62 parsed_1kyj 1 36 W 85 59 85 62 parsed_1kyj 1 37 W 87 59 87 63 parsed_1kyj 1 38 M 89 59 89 62 parsed_1kyj 1 39 M 91 59 91 62 parsed_1kyj 1 40 M 93 59 93 62 parsed_1kyj 1 41 ; W SER 1 ; 95 60 98 9 parsed_1kyj 1 42 M 101 59 101 62 parsed_1kyj 1 43 M 103 59 103 62 parsed_1kyj 1 44 W 105 59 105 62 parsed_1kyj 1 45 M 107 59 107 62 parsed_1kyj 1 46 M 109 59 109 62 parsed_1kyj 1 47 M 111 59 111 62 parsed_1kyj 1 48 W 113 59 113 62 parsed_1kyj 1 49 M 116 59 116 62 parsed_1kyj 1 50 M 118 59 118 62 parsed_1kyj 1 51 M 120 59 120 62 parsed_1kyj 1 52 ; M ALA 4 ; 122 59 125 9 parsed_1kyj 1 53 M 128 59 128 62 parsed_1kyj 1 54 W 130 59 130 63 parsed_1kyj 1 55 S 132 59 132 62 parsed_1kyj 1 56 M 134 59 134 62 parsed_1kyj 1 57 S 136 59 136 62 parsed_1kyj 1 58 M 138 59 138 62 parsed_1kyj 1 59 W 140 59 140 62 parsed_1kyj 1 60 M 142 59 142 62 parsed_1kyj 1 61 W 144 59 144 63 parsed_1kyj 1 62 W 147 59 147 62 parsed_1kyj 1 63 M 149 59 149 62 parsed_1kyj 1 64 ; W VAL 5 ; 151 59 154 9 parsed_1kyj 1 65 S 157 59 157 62 parsed_1kyj 1 66 M 159 59 159 62 parsed_1kyj 1 67 M 161 59 161 62 parsed_1kyj 1 68 M 163 59 163 62 parsed_1kyj 1 69 W 165 59 165 62 parsed_1kyj 1 70 W 169 59 169 62 parsed_1kyj 1 71 ; W SER1 GalNAC ; 171 59 173 15 parsed_1kyj 1 72 M 176 59 176 62 parsed_1kyj 1 73 M 178 59 178 62 parsed_1kyj 1 74 M 180 59 180 62 parsed_1kyj 1 75 M 182 59 182 62 parsed_1kyj 1 76 W 184 59 184 62 parsed_1kyj 1 77 W 186 59 186 62 parsed_1kyj 1 78 M 188 59 188 62 parsed_1kyj 1 79 S 191 59 191 62 parsed_1kyj 1 80 M 193 59 193 62 parsed_1kyj 1 81 ; w THR3 GalNAC ; 195 59 198 15 parsed_1kyj 1 82 M 201 59 201 62 parsed_1kyj 1 83 W 203 59 203 63 parsed_1kyj 1 84 M 205 59 205 62 parsed_1kyj 1 85 M 207 59 207 62 parsed_1kyj 1 86 M 209 59 209 62 parsed_1kyj 1 87 W 211 59 211 62 parsed_1kyj 1 88 W 213 59 213 62 parsed_1kyj 1 89 W 215 59 215 62 parsed_1kyj 1 90 W 217 59 217 62 parsed_1kyj 1 91 W 219 59 219 62 parsed_1kyj 1 92 M 221 59 221 62 parsed_1kyj 1 93 S 225 59 225 62 parsed_1kyj 1 94 W 227 59 227 67 parsed_1kyj 1 95 W 229 59 229 62 parsed_1kyj 1 96 ; M THR2 GalNAC ; 231 59 234 15 parsed_1kyj 1 97 M 237 59 237 62 parsed_1kyj 1 98 W 239 59 239 62 parsed_1kyj 1 99 M 241 59 241 62 parsed_1kyj 1 100 M 243 59 243 62 parsed_1kyj 1 101 M 245 59 245 62 parsed_1kyj 1 102 W 247 59 247 63 parsed_1kyj 1 103 W 249 70 249 73 parsed_1kyj 1 104 M 251 59 251 62 parsed_1kyj 1 105 W 254 59 254 62 parsed_1kyj 1 106 S 256 59 256 62 parsed_1kyj 1 107 M 258 59 258 62 parsed_1kyj 1 108 M 260 59 260 62 parsed_1kyj 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1kyj _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 300.0 . . 2 . HA . 2 . CA . 2 . CB . 2 . HB parsed_1kyj 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 250.0 300.0 . . 3 . HA . 3 . CA . 3 . CB . 3 . HB parsed_1kyj 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 1 . N . 1 . CA . 1 . CB . 1 . OG parsed_1kyj 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 ; Dihedral Constraints chi 1 angles for S1, T2 and T3 restraint dihedral scale=200 end ; 1 1 4 35 parsed_1kyj 1 stop_ save_
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