NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
576190 | 2mmw | 21000 | cing | 2-parsed | STAR | entry | full | 128 |
data_2mmw_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2mmw _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_2mmw 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2mmw _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 2mmw "Master copy" parsed_2mmw stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2mmw _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 2mmw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mmw 1 1 2mmw.mr . . DYANA/DIANA 2 distance NOE simple 128 parsed_2mmw 1 1 2mmw.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mmw 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_2mmw _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 ANTIBIOTIC 20-MAR-14 2MMW *TITLE LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGD *TITLE 2 SUBSTITUTION OF GLY12-ILE13-GLY14 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MICROCIN J25; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: MCCJ25; *COMPND 5 ENGINEERED: YES; *COMPND 6 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; *SOURCE 3 ORGANISM_TAXID: 562; *SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 *KEYWDS LASSO PEPTIDE, MICROCIN J25, EPITOPE GRAFTING, PEPTIDE SCAFFOLD, *KEYWDS 2 INTEGRIN INHIBITOR, ANGIOGENESIS, ANTIMICROBIAL PROTEIN, CELL *KEYWDS 3 ADHESION INHIBITOR, ANTIBIOTIC *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR T.A.KNAPPE, U.LINNE, X.XIE, M.A.MARAHIEL *REVDAT 1 14-MAY-14 2MMW 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2mmw _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_2mmw 1 2 1 . . . parsed_2mmw 1 3 1 . . . parsed_2mmw 1 4 1 . . . parsed_2mmw 1 5 1 . . . parsed_2mmw 1 6 1 . . . parsed_2mmw 1 7 1 . . . parsed_2mmw 1 8 1 . . . parsed_2mmw 1 9 1 . . . parsed_2mmw 1 10 1 . . . parsed_2mmw 1 11 1 . . . parsed_2mmw 1 12 1 . . . parsed_2mmw 1 13 1 . . . parsed_2mmw 1 14 1 . . . parsed_2mmw 1 15 1 . . . parsed_2mmw 1 16 1 . . . parsed_2mmw 1 17 1 . . . parsed_2mmw 1 18 1 . . . parsed_2mmw 1 19 1 . . . parsed_2mmw 1 20 1 . . . parsed_2mmw 1 21 1 . . . parsed_2mmw 1 22 1 . . . parsed_2mmw 1 23 1 . . . parsed_2mmw 1 24 1 . . . parsed_2mmw 1 25 1 . . . parsed_2mmw 1 26 1 . . . parsed_2mmw 1 27 1 . . . parsed_2mmw 1 28 1 . . . parsed_2mmw 1 29 1 . . . parsed_2mmw 1 30 1 . . . parsed_2mmw 1 31 1 . . . parsed_2mmw 1 32 1 . . . parsed_2mmw 1 33 1 . . . parsed_2mmw 1 34 1 . . . parsed_2mmw 1 35 1 . . . parsed_2mmw 1 36 1 . . . parsed_2mmw 1 37 1 . . . parsed_2mmw 1 38 1 . . . parsed_2mmw 1 39 1 . . . parsed_2mmw 1 40 1 . . . parsed_2mmw 1 41 1 . . . parsed_2mmw 1 42 1 . . . parsed_2mmw 1 43 1 . . . parsed_2mmw 1 44 1 . . . parsed_2mmw 1 45 1 . . . parsed_2mmw 1 46 1 . . . parsed_2mmw 1 47 1 . . . parsed_2mmw 1 48 1 . . . parsed_2mmw 1 49 1 . . . parsed_2mmw 1 50 1 . . . parsed_2mmw 1 51 1 . . . parsed_2mmw 1 52 1 . . . parsed_2mmw 1 53 1 . . . parsed_2mmw 1 54 1 . . . parsed_2mmw 1 55 1 . . . parsed_2mmw 1 56 1 . . . parsed_2mmw 1 57 1 . . . parsed_2mmw 1 58 1 . . . parsed_2mmw 1 59 1 . . . parsed_2mmw 1 60 1 . . . parsed_2mmw 1 61 1 . . . parsed_2mmw 1 62 1 . . . parsed_2mmw 1 63 1 . . . parsed_2mmw 1 64 1 . . . parsed_2mmw 1 65 1 . . . parsed_2mmw 1 66 1 . . . parsed_2mmw 1 67 1 . . . parsed_2mmw 1 68 1 . . . parsed_2mmw 1 69 1 . . . parsed_2mmw 1 70 1 . . . parsed_2mmw 1 71 1 . . . parsed_2mmw 1 72 1 . . . parsed_2mmw 1 73 1 . . . parsed_2mmw 1 74 1 . . . parsed_2mmw 1 75 1 . . . parsed_2mmw 1 76 1 . . . parsed_2mmw 1 77 1 . . . parsed_2mmw 1 78 1 . . . parsed_2mmw 1 79 1 . . . parsed_2mmw 1 80 1 . . . parsed_2mmw 1 81 1 . . . parsed_2mmw 1 82 1 . . . parsed_2mmw 1 83 1 . . . parsed_2mmw 1 84 1 . . . parsed_2mmw 1 85 1 . . . parsed_2mmw 1 86 1 . . . parsed_2mmw 1 87 1 . . . parsed_2mmw 1 88 1 . . . parsed_2mmw 1 89 1 . . . parsed_2mmw 1 90 1 . . . parsed_2mmw 1 91 1 . . . parsed_2mmw 1 92 1 . . . parsed_2mmw 1 93 1 . . . parsed_2mmw 1 94 1 . . . parsed_2mmw 1 95 1 . . . parsed_2mmw 1 96 1 . . . parsed_2mmw 1 97 1 . . . parsed_2mmw 1 98 1 . . . parsed_2mmw 1 99 1 . . . parsed_2mmw 1 100 1 . . . parsed_2mmw 1 101 1 . . . parsed_2mmw 1 102 1 . . . parsed_2mmw 1 103 1 . . . parsed_2mmw 1 104 1 . . . parsed_2mmw 1 105 1 . . . parsed_2mmw 1 106 1 . . . parsed_2mmw 1 107 1 . . . parsed_2mmw 1 108 1 . . . parsed_2mmw 1 109 1 . . . parsed_2mmw 1 110 1 . . . parsed_2mmw 1 111 1 . . . parsed_2mmw 1 112 1 . . . parsed_2mmw 1 113 1 . . . parsed_2mmw 1 114 1 . . . parsed_2mmw 1 115 1 . . . parsed_2mmw 1 116 1 . . . parsed_2mmw 1 117 1 . . . parsed_2mmw 1 118 1 . . . parsed_2mmw 1 119 1 . . . parsed_2mmw 1 120 1 . . . parsed_2mmw 1 121 1 . . . parsed_2mmw 1 122 1 . . . parsed_2mmw 1 123 1 . . . parsed_2mmw 1 124 1 . . . parsed_2mmw 1 125 1 . . . parsed_2mmw 1 126 1 . . . parsed_2mmw 1 127 1 . . . parsed_2mmw 1 128 1 . . . parsed_2mmw 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 . . . . . . . . . 1 GLY H parsed_2mmw 1 1 1 2 . . . . . . . . . 2 GLY H parsed_2mmw 1 2 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 2 1 2 . . . . . . . . . 8 GLU HB2 parsed_2mmw 1 3 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 3 1 2 . . . . . . . . . 8 GLU HB3 parsed_2mmw 1 4 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 4 1 2 . . . . . . . . . 8 GLU HG2 parsed_2mmw 1 5 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 5 1 2 . . . . . . . . . 8 GLU HG3 parsed_2mmw 1 6 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 6 1 2 . . . . . . . . . 8 GLU QG parsed_2mmw 1 7 1 1 . . . . . . . . . 1 GLY N parsed_2mmw 1 7 1 2 . . . . . . . . . 8 GLU CD parsed_2mmw 1 8 1 1 . . . . . . . . . 1 GLY N parsed_2mmw 1 8 1 2 . . . . . . . . . 8 GLU OE1 parsed_2mmw 1 9 1 1 . . . . . . . . . 1 GLY N parsed_2mmw 1 9 1 2 . . . . . . . . . 8 GLU CG parsed_2mmw 1 10 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 10 1 2 . . . . . . . . . 8 GLU CD parsed_2mmw 1 11 1 1 . . . . . . . . . 1 GLY CA parsed_2mmw 1 11 1 2 . . . . . . . . . 8 GLU CD parsed_2mmw 1 12 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 12 1 2 . . . . . . . . . 1 GLY CA parsed_2mmw 1 13 1 1 . . . . . . . . . 1 GLY CA parsed_2mmw 1 13 1 2 . . . . . . . . . 8 GLU OE1 parsed_2mmw 1 14 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 14 1 2 . . . . . . . . . 8 GLU OE1 parsed_2mmw 1 15 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 15 1 2 . . . . . . . . . 9 TYR HD1 parsed_2mmw 1 16 1 1 . . . . . . . . . 1 GLY HA2 parsed_2mmw 1 16 1 2 . . . . . . . . . 9 TYR HE1 parsed_2mmw 1 17 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 17 1 2 . . . . . . . . . 18 SER HB2 parsed_2mmw 1 18 1 1 . . . . . . . . . 1 GLY H parsed_2mmw 1 18 1 2 . . . . . . . . . 18 SER HB3 parsed_2mmw 1 19 1 1 . . . . . . . . . 2 GLY H parsed_2mmw 1 19 1 2 . . . . . . . . . 3 ALA H parsed_2mmw 1 20 1 1 . . . . . . . . . 2 GLY H parsed_2mmw 1 20 1 2 . . . . . . . . . 18 SER HB2 parsed_2mmw 1 21 1 1 . . . . . . . . . 2 GLY H parsed_2mmw 1 21 1 2 . . . . . . . . . 18 SER HB3 parsed_2mmw 1 22 1 1 . . . . . . . . . 2 GLY H parsed_2mmw 1 22 1 2 . . . . . . . . . 19 PHE H parsed_2mmw 1 23 1 1 . . . . . . . . . 2 GLY HA2 parsed_2mmw 1 23 1 2 . . . . . . . . . 3 ALA H parsed_2mmw 1 24 1 1 . . . . . . . . . 2 GLY HA3 parsed_2mmw 1 24 1 2 . . . . . . . . . 3 ALA H parsed_2mmw 1 25 1 1 . . . . . . . . . 3 ALA HA parsed_2mmw 1 25 1 2 . . . . . . . . . 4 GLY H parsed_2mmw 1 26 1 1 . . . . . . . . . 3 ALA HA parsed_2mmw 1 26 1 2 . . . . . . . . . 19 PHE HB2 parsed_2mmw 1 27 1 1 . . . . . . . . . 3 ALA HA parsed_2mmw 1 27 1 2 . . . . . . . . . 19 PHE HB3 parsed_2mmw 1 28 1 1 . . . . . . . . . 3 ALA HA parsed_2mmw 1 28 1 2 . . . . . . . . . 19 PHE QB parsed_2mmw 1 29 1 1 . . . . . . . . . 3 ALA HA parsed_2mmw 1 29 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 30 1 1 . . . . . . . . . 4 GLY H parsed_2mmw 1 30 1 2 . . . . . . . . . 19 PHE HB2 parsed_2mmw 1 31 1 1 . . . . . . . . . 4 GLY H parsed_2mmw 1 31 1 2 . . . . . . . . . 19 PHE HB3 parsed_2mmw 1 32 1 1 . . . . . . . . . 4 GLY H parsed_2mmw 1 32 1 2 . . . . . . . . . 19 PHE QB parsed_2mmw 1 33 1 1 . . . . . . . . . 4 GLY HA3 parsed_2mmw 1 33 1 2 . . . . . . . . . 5 HIS H parsed_2mmw 1 34 1 1 . . . . . . . . . 4 GLY HA2 parsed_2mmw 1 34 1 2 . . . . . . . . . 5 HIS H parsed_2mmw 1 35 1 1 . . . . . . . . . 4 GLY HA3 parsed_2mmw 1 35 1 2 . . . . . . . . . 19 PHE HB2 parsed_2mmw 1 36 1 1 . . . . . . . . . 4 GLY HA3 parsed_2mmw 1 36 1 2 . . . . . . . . . 19 PHE HB3 parsed_2mmw 1 37 1 1 . . . . . . . . . 4 GLY HA2 parsed_2mmw 1 37 1 2 . . . . . . . . . 19 PHE HB2 parsed_2mmw 1 38 1 1 . . . . . . . . . 4 GLY HA2 parsed_2mmw 1 38 1 2 . . . . . . . . . 19 PHE HB3 parsed_2mmw 1 39 1 1 . . . . . . . . . 5 HIS H parsed_2mmw 1 39 1 2 . . . . . . . . . 5 HIS HB2 parsed_2mmw 1 40 1 1 . . . . . . . . . 5 HIS H parsed_2mmw 1 40 1 2 . . . . . . . . . 5 HIS HB3 parsed_2mmw 1 41 1 1 . . . . . . . . . 5 HIS HA parsed_2mmw 1 41 1 2 . . . . . . . . . 5 HIS HB2 parsed_2mmw 1 42 1 1 . . . . . . . . . 5 HIS H parsed_2mmw 1 42 1 2 . . . . . . . . . 6 VAL H parsed_2mmw 1 43 1 1 . . . . . . . . . 5 HIS HB2 parsed_2mmw 1 43 1 2 . . . . . . . . . 6 VAL H parsed_2mmw 1 44 1 1 . . . . . . . . . 5 HIS HB3 parsed_2mmw 1 44 1 2 . . . . . . . . . 6 VAL H parsed_2mmw 1 45 1 1 . . . . . . . . . 5 HIS HA parsed_2mmw 1 45 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 46 1 1 . . . . . . . . . 6 VAL H parsed_2mmw 1 46 1 2 . . . . . . . . . 19 PHE QB parsed_2mmw 1 47 1 1 . . . . . . . . . 6 VAL H parsed_2mmw 1 47 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 48 1 1 . . . . . . . . . 6 VAL H parsed_2mmw 1 48 1 2 . . . . . . . . . 20 TYR H parsed_2mmw 1 49 1 1 . . . . . . . . . 6 VAL HA parsed_2mmw 1 49 1 2 . . . . . . . . . 7 PRO HD2 parsed_2mmw 1 50 1 1 . . . . . . . . . 6 VAL HA parsed_2mmw 1 50 1 2 . . . . . . . . . 7 PRO HD3 parsed_2mmw 1 51 1 1 . . . . . . . . . 6 VAL HB parsed_2mmw 1 51 1 2 . . . . . . . . . 20 TYR H parsed_2mmw 1 52 1 1 . . . . . . . . . 6 VAL HB parsed_2mmw 1 52 1 2 . . . . . . . . . 20 TYR QE parsed_2mmw 1 53 1 1 . . . . . . . . . 6 VAL QQG parsed_2mmw 1 53 1 2 . . . . . . . . . 20 TYR QE parsed_2mmw 1 54 1 1 . . . . . . . . . 7 PRO HA parsed_2mmw 1 54 1 2 . . . . . . . . . 8 GLU H parsed_2mmw 1 55 1 1 . . . . . . . . . 7 PRO HB2 parsed_2mmw 1 55 1 2 . . . . . . . . . 10 PHE HZ parsed_2mmw 1 56 1 1 . . . . . . . . . 7 PRO HG2 parsed_2mmw 1 56 1 2 . . . . . . . . . 10 PHE HZ parsed_2mmw 1 57 1 1 . . . . . . . . . 7 PRO HB3 parsed_2mmw 1 57 1 2 . . . . . . . . . 16 PRO HB3 parsed_2mmw 1 58 1 1 . . . . . . . . . 7 PRO HB3 parsed_2mmw 1 58 1 2 . . . . . . . . . 16 PRO HG3 parsed_2mmw 1 59 1 1 . . . . . . . . . 7 PRO HA parsed_2mmw 1 59 1 2 . . . . . . . . . 19 PHE HA parsed_2mmw 1 60 1 1 . . . . . . . . . 7 PRO HA parsed_2mmw 1 60 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 61 1 1 . . . . . . . . . 7 PRO HB2 parsed_2mmw 1 61 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 62 1 1 . . . . . . . . . 7 PRO HG2 parsed_2mmw 1 62 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 63 1 1 . . . . . . . . . 7 PRO HD2 parsed_2mmw 1 63 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 64 1 1 . . . . . . . . . 8 GLU H parsed_2mmw 1 64 1 2 . . . . . . . . . 9 TYR H parsed_2mmw 1 65 1 1 . . . . . . . . . 8 GLU H parsed_2mmw 1 65 1 2 . . . . . . . . . 19 PHE HA parsed_2mmw 1 66 1 1 . . . . . . . . . 8 GLU H parsed_2mmw 1 66 1 2 . . . . . . . . . 20 TYR H parsed_2mmw 1 67 1 1 . . . . . . . . . 8 GLU HA parsed_2mmw 1 67 1 2 . . . . . . . . . 20 TYR QD parsed_2mmw 1 68 1 1 . . . . . . . . . 8 GLU HA parsed_2mmw 1 68 1 2 . . . . . . . . . 20 TYR QE parsed_2mmw 1 69 1 1 . . . . . . . . . 8 GLU HB2 parsed_2mmw 1 69 1 2 . . . . . . . . . 9 TYR H parsed_2mmw 1 70 1 1 . . . . . . . . . 8 GLU HB2 parsed_2mmw 1 70 1 2 . . . . . . . . . 9 TYR HD1 parsed_2mmw 1 71 1 1 . . . . . . . . . 8 GLU HB2 parsed_2mmw 1 71 1 2 . . . . . . . . . 20 TYR QD parsed_2mmw 1 72 1 1 . . . . . . . . . 8 GLU HB3 parsed_2mmw 1 72 1 2 . . . . . . . . . 9 TYR H parsed_2mmw 1 73 1 1 . . . . . . . . . 8 GLU HB3 parsed_2mmw 1 73 1 2 . . . . . . . . . 20 TYR QD parsed_2mmw 1 74 1 1 . . . . . . . . . 8 GLU HG2 parsed_2mmw 1 74 1 2 . . . . . . . . . 19 PHE HA parsed_2mmw 1 75 1 1 . . . . . . . . . 8 GLU HG2 parsed_2mmw 1 75 1 2 . . . . . . . . . 20 TYR QD parsed_2mmw 1 76 1 1 . . . . . . . . . 8 GLU QB parsed_2mmw 1 76 1 2 . . . . . . . . . 20 TYR H parsed_2mmw 1 77 1 1 . . . . . . . . . 8 GLU HG3 parsed_2mmw 1 77 1 2 . . . . . . . . . 19 PHE HA parsed_2mmw 1 78 1 1 . . . . . . . . . 8 GLU HG3 parsed_2mmw 1 78 1 2 . . . . . . . . . 20 TYR QD parsed_2mmw 1 79 1 1 . . . . . . . . . 8 GLU QG parsed_2mmw 1 79 1 2 . . . . . . . . . 9 TYR H parsed_2mmw 1 80 1 1 . . . . . . . . . 8 GLU QG parsed_2mmw 1 80 1 2 . . . . . . . . . 19 PHE HA parsed_2mmw 1 81 1 1 . . . . . . . . . 8 GLU QG parsed_2mmw 1 81 1 2 . . . . . . . . . 20 TYR QD parsed_2mmw 1 82 1 1 . . . . . . . . . 9 TYR HA parsed_2mmw 1 82 1 2 . . . . . . . . . 10 PHE H parsed_2mmw 1 83 1 1 . . . . . . . . . 9 TYR HB2 parsed_2mmw 1 83 1 2 . . . . . . . . . 10 PHE H parsed_2mmw 1 84 1 1 . . . . . . . . . 9 TYR HB3 parsed_2mmw 1 84 1 2 . . . . . . . . . 10 PHE H parsed_2mmw 1 85 1 1 . . . . . . . . . 10 PHE HA parsed_2mmw 1 85 1 2 . . . . . . . . . 11 VAL H parsed_2mmw 1 86 1 1 . . . . . . . . . 10 PHE HB2 parsed_2mmw 1 86 1 2 . . . . . . . . . 11 VAL H parsed_2mmw 1 87 1 1 . . . . . . . . . 10 PHE HB3 parsed_2mmw 1 87 1 2 . . . . . . . . . 11 VAL H parsed_2mmw 1 88 1 1 . . . . . . . . . 10 PHE HA parsed_2mmw 1 88 1 2 . . . . . . . . . 16 PRO HA parsed_2mmw 1 89 1 1 . . . . . . . . . 10 PHE HD2 parsed_2mmw 1 89 1 2 . . . . . . . . . 16 PRO HD3 parsed_2mmw 1 90 1 1 . . . . . . . . . 10 PHE HE1 parsed_2mmw 1 90 1 2 . . . . . . . . . 16 PRO HB3 parsed_2mmw 1 91 1 1 . . . . . . . . . 10 PHE HE2 parsed_2mmw 1 91 1 2 . . . . . . . . . 16 PRO HB3 parsed_2mmw 1 92 1 1 . . . . . . . . . 10 PHE HE2 parsed_2mmw 1 92 1 2 . . . . . . . . . 16 PRO HG3 parsed_2mmw 1 93 1 1 . . . . . . . . . 10 PHE HA parsed_2mmw 1 93 1 2 . . . . . . . . . 17 ILE H parsed_2mmw 1 94 1 1 . . . . . . . . . 11 VAL H parsed_2mmw 1 94 1 2 . . . . . . . . . 12 ARG H parsed_2mmw 1 95 1 1 . . . . . . . . . 11 VAL HA parsed_2mmw 1 95 1 2 . . . . . . . . . 12 ARG H parsed_2mmw 1 96 1 1 . . . . . . . . . 11 VAL HB parsed_2mmw 1 96 1 2 . . . . . . . . . 12 ARG H parsed_2mmw 1 97 1 1 . . . . . . . . . 11 VAL QQG parsed_2mmw 1 97 1 2 . . . . . . . . . 12 ARG H parsed_2mmw 1 98 1 1 . . . . . . . . . 12 ARG H parsed_2mmw 1 98 1 2 . . . . . . . . . 13 GLY H parsed_2mmw 1 99 1 1 . . . . . . . . . 12 ARG H parsed_2mmw 1 99 1 2 . . . . . . . . . 15 THR H parsed_2mmw 1 100 1 1 . . . . . . . . . 12 ARG HA parsed_2mmw 1 100 1 2 . . . . . . . . . 13 GLY H parsed_2mmw 1 101 1 1 . . . . . . . . . 13 GLY H parsed_2mmw 1 101 1 2 . . . . . . . . . 14 ASP H parsed_2mmw 1 102 1 1 . . . . . . . . . 13 GLY HA3 parsed_2mmw 1 102 1 2 . . . . . . . . . 14 ASP H parsed_2mmw 1 103 1 1 . . . . . . . . . 14 ASP H parsed_2mmw 1 103 1 2 . . . . . . . . . 15 THR H parsed_2mmw 1 104 1 1 . . . . . . . . . 15 THR HA parsed_2mmw 1 104 1 2 . . . . . . . . . 16 PRO HD3 parsed_2mmw 1 105 1 1 . . . . . . . . . 15 THR HA parsed_2mmw 1 105 1 2 . . . . . . . . . 16 PRO HD2 parsed_2mmw 1 106 1 1 . . . . . . . . . 16 PRO HA parsed_2mmw 1 106 1 2 . . . . . . . . . 17 ILE H parsed_2mmw 1 107 1 1 . . . . . . . . . 16 PRO HB2 parsed_2mmw 1 107 1 2 . . . . . . . . . 19 PHE QE parsed_2mmw 1 108 1 1 . . . . . . . . . 16 PRO HB3 parsed_2mmw 1 108 1 2 . . . . . . . . . 17 ILE H parsed_2mmw 1 109 1 1 . . . . . . . . . 16 PRO HB3 parsed_2mmw 1 109 1 2 . . . . . . . . . 19 PHE QE parsed_2mmw 1 110 1 1 . . . . . . . . . 16 PRO HG2 parsed_2mmw 1 110 1 2 . . . . . . . . . 19 PHE QE parsed_2mmw 1 111 1 1 . . . . . . . . . 16 PRO HG3 parsed_2mmw 1 111 1 2 . . . . . . . . . 19 PHE QE parsed_2mmw 1 112 1 1 . . . . . . . . . 17 ILE H parsed_2mmw 1 112 1 2 . . . . . . . . . 18 SER H parsed_2mmw 1 113 1 1 . . . . . . . . . 17 ILE HA parsed_2mmw 1 113 1 2 . . . . . . . . . 18 SER H parsed_2mmw 1 114 1 1 . . . . . . . . . 17 ILE QG2 parsed_2mmw 1 114 1 2 . . . . . . . . . 18 SER H parsed_2mmw 1 115 1 1 . . . . . . . . . 17 ILE QG2 parsed_2mmw 1 115 1 2 . . . . . . . . . 19 PHE QE parsed_2mmw 1 116 1 1 . . . . . . . . . 17 ILE QG1 parsed_2mmw 1 116 1 2 . . . . . . . . . 18 SER H parsed_2mmw 1 117 1 1 . . . . . . . . . 18 SER HA parsed_2mmw 1 117 1 2 . . . . . . . . . 19 PHE H parsed_2mmw 1 118 1 1 . . . . . . . . . 18 SER HA parsed_2mmw 1 118 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 119 1 1 . . . . . . . . . 18 SER HB2 parsed_2mmw 1 119 1 2 . . . . . . . . . 19 PHE H parsed_2mmw 1 120 1 1 . . . . . . . . . 18 SER HB2 parsed_2mmw 1 120 1 2 . . . . . . . . . 19 PHE QD parsed_2mmw 1 121 1 1 . . . . . . . . . 18 SER HB3 parsed_2mmw 1 121 1 2 . . . . . . . . . 19 PHE H parsed_2mmw 1 122 1 1 . . . . . . . . . 19 PHE HA parsed_2mmw 1 122 1 2 . . . . . . . . . 20 TYR H parsed_2mmw 1 123 1 1 . . . . . . . . . 19 PHE HB2 parsed_2mmw 1 123 1 2 . . . . . . . . . 20 TYR H parsed_2mmw 1 124 1 1 . . . . . . . . . 19 PHE HB3 parsed_2mmw 1 124 1 2 . . . . . . . . . 20 TYR H parsed_2mmw 1 125 1 1 . . . . . . . . . 20 TYR HA parsed_2mmw 1 125 1 2 . . . . . . . . . 21 GLY H parsed_2mmw 1 126 1 1 . . . . . . . . . 20 TYR HB2 parsed_2mmw 1 126 1 2 . . . . . . . . . 21 GLY H parsed_2mmw 1 127 1 1 . . . . . . . . . 20 TYR HB3 parsed_2mmw 1 127 1 2 . . . . . . . . . 21 GLY H parsed_2mmw 1 128 1 1 . . . . . . . . . 20 TYR QD parsed_2mmw 1 128 1 2 . . . . . . . . . 21 GLY H parsed_2mmw 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 . . . . . . . 2.50 parsed_2mmw 1 2 1 . . . . . . . 3.30 parsed_2mmw 1 3 1 . . . . . . . 3.00 parsed_2mmw 1 4 1 . . . . . . . 2.80 parsed_2mmw 1 5 1 . . . . . . . 2.80 parsed_2mmw 1 6 1 . . . . . . . 2.80 parsed_2mmw 1 7 1 . . . . . . . 1.33 parsed_2mmw 1 8 1 . . . . . . . 2.26 parsed_2mmw 1 9 1 . . . . . . . 2.41 parsed_2mmw 1 10 1 . . . . . . . 2.06 parsed_2mmw 1 11 1 . . . . . . . 2.42 parsed_2mmw 1 12 1 . . . . . . . 2.09 parsed_2mmw 1 13 1 . . . . . . . 2.78 parsed_2mmw 1 14 1 . . . . . . . 3.17 parsed_2mmw 1 15 1 . . . . . . . 2.50 parsed_2mmw 1 16 1 . . . . . . . 3.30 parsed_2mmw 1 17 1 . . . . . . . 3.00 parsed_2mmw 1 18 1 . . . . . . . 3.50 parsed_2mmw 1 19 1 . . . . . . . 3.30 parsed_2mmw 1 20 1 . . . . . . . 3.50 parsed_2mmw 1 21 1 . . . . . . . 3.50 parsed_2mmw 1 22 1 . . . . . . . 2.50 parsed_2mmw 1 23 1 . . . . . . . 2.50 parsed_2mmw 1 24 1 . . . . . . . 2.50 parsed_2mmw 1 25 1 . . . . . . . 2.30 parsed_2mmw 1 26 1 . . . . . . . 3.00 parsed_2mmw 1 27 1 . . . . . . . 3.00 parsed_2mmw 1 28 1 . . . . . . . 3.00 parsed_2mmw 1 29 1 . . . . . . . 4.50 parsed_2mmw 1 30 1 . . . . . . . 3.00 parsed_2mmw 1 31 1 . . . . . . . 3.00 parsed_2mmw 1 32 1 . . . . . . . 3.00 parsed_2mmw 1 33 1 . . . . . . . 2.50 parsed_2mmw 1 34 1 . . . . . . . 2.50 parsed_2mmw 1 35 1 . . . . . . . 4.00 parsed_2mmw 1 36 1 . . . . . . . 4.00 parsed_2mmw 1 37 1 . . . . . . . 4.00 parsed_2mmw 1 38 1 . . . . . . . 4.00 parsed_2mmw 1 39 1 . . . . . . . 3.00 parsed_2mmw 1 40 1 . . . . . . . 3.50 parsed_2mmw 1 41 1 . . . . . . . 3.00 parsed_2mmw 1 42 1 . . . . . . . 2.50 parsed_2mmw 1 43 1 . . . . . . . 3.50 parsed_2mmw 1 44 1 . . . . . . . 3.50 parsed_2mmw 1 45 1 . . . . . . . 4.50 parsed_2mmw 1 46 1 . . . . . . . 3.50 parsed_2mmw 1 47 1 . . . . . . . 4.50 parsed_2mmw 1 48 1 . . . . . . . 2.50 parsed_2mmw 1 49 1 . . . . . . . 2.30 parsed_2mmw 1 50 1 . . . . . . . 2.30 parsed_2mmw 1 51 1 . . . . . . . 3.50 parsed_2mmw 1 52 1 . . . . . . . 4.50 parsed_2mmw 1 53 1 . . . . . . . 5.50 parsed_2mmw 1 54 1 . . . . . . . 2.30 parsed_2mmw 1 55 1 . . . . . . . 2.80 parsed_2mmw 1 56 1 . . . . . . . 2.30 parsed_2mmw 1 57 1 . . . . . . . 3.00 parsed_2mmw 1 58 1 . . . . . . . 2.80 parsed_2mmw 1 59 1 . . . . . . . 2.50 parsed_2mmw 1 60 1 . . . . . . . 4.00 parsed_2mmw 1 61 1 . . . . . . . 4.50 parsed_2mmw 1 62 1 . . . . . . . 4.50 parsed_2mmw 1 63 1 . . . . . . . 4.50 parsed_2mmw 1 64 1 . . . . . . . 2.50 parsed_2mmw 1 65 1 . . . . . . . 2.30 parsed_2mmw 1 66 1 . . . . . . . 3.50 parsed_2mmw 1 67 1 . . . . . . . 4.50 parsed_2mmw 1 68 1 . . . . . . . 4.50 parsed_2mmw 1 69 1 . . . . . . . 3.00 parsed_2mmw 1 70 1 . . . . . . . 2.00 parsed_2mmw 1 71 1 . . . . . . . 4.50 parsed_2mmw 1 72 1 . . . . . . . 3.30 parsed_2mmw 1 73 1 . . . . . . . 4.50 parsed_2mmw 1 74 1 . . . . . . . 3.50 parsed_2mmw 1 75 1 . . . . . . . 4.50 parsed_2mmw 1 76 1 . . . . . . . 4.50 parsed_2mmw 1 77 1 . . . . . . . 3.50 parsed_2mmw 1 78 1 . . . . . . . 4.50 parsed_2mmw 1 79 1 . . . . . . . 4.00 parsed_2mmw 1 80 1 . . . . . . . 3.50 parsed_2mmw 1 81 1 . . . . . . . 4.50 parsed_2mmw 1 82 1 . . . . . . . 2.30 parsed_2mmw 1 83 1 . . . . . . . 3.00 parsed_2mmw 1 84 1 . . . . . . . 3.50 parsed_2mmw 1 85 1 . . . . . . . 2.30 parsed_2mmw 1 86 1 . . . . . . . 2.80 parsed_2mmw 1 87 1 . . . . . . . 3.30 parsed_2mmw 1 88 1 . . . . . . . 2.00 parsed_2mmw 1 89 1 . . . . . . . 2.50 parsed_2mmw 1 90 1 . . . . . . . 4.30 parsed_2mmw 1 91 1 . . . . . . . 3.50 parsed_2mmw 1 92 1 . . . . . . . 3.00 parsed_2mmw 1 93 1 . . . . . . . 3.50 parsed_2mmw 1 94 1 . . . . . . . 4.50 parsed_2mmw 1 95 1 . . . . . . . 2.50 parsed_2mmw 1 96 1 . . . . . . . 2.80 parsed_2mmw 1 97 1 . . . . . . . 5.00 parsed_2mmw 1 98 1 . . . . . . . 3.50 parsed_2mmw 1 99 1 . . . . . . . 5.50 parsed_2mmw 1 100 1 . . . . . . . 2.50 parsed_2mmw 1 101 1 . . . . . . . 2.80 parsed_2mmw 1 102 1 . . . . . . . 2.30 parsed_2mmw 1 103 1 . . . . . . . 2.50 parsed_2mmw 1 104 1 . . . . . . . 2.30 parsed_2mmw 1 105 1 . . . . . . . 2.30 parsed_2mmw 1 106 1 . . . . . . . 2.00 parsed_2mmw 1 107 1 . . . . . . . 4.50 parsed_2mmw 1 108 1 . . . . . . . 3.00 parsed_2mmw 1 109 1 . . . . . . . 4.50 parsed_2mmw 1 110 1 . . . . . . . 4.50 parsed_2mmw 1 111 1 . . . . . . . 4.30 parsed_2mmw 1 112 1 . . . . . . . 2.30 parsed_2mmw 1 113 1 . . . . . . . 2.30 parsed_2mmw 1 114 1 . . . . . . . 4.00 parsed_2mmw 1 115 1 . . . . . . . 5.00 parsed_2mmw 1 116 1 . . . . . . . 4.00 parsed_2mmw 1 117 1 . . . . . . . 2.50 parsed_2mmw 1 118 1 . . . . . . . 4.00 parsed_2mmw 1 119 1 . . . . . . . 2.30 parsed_2mmw 1 120 1 . . . . . . . 4.50 parsed_2mmw 1 121 1 . . . . . . . 2.80 parsed_2mmw 1 122 1 . . . . . . . 2.30 parsed_2mmw 1 123 1 . . . . . . . 2.50 parsed_2mmw 1 124 1 . . . . . . . 2.50 parsed_2mmw 1 125 1 . . . . . . . 2.30 parsed_2mmw 1 126 1 . . . . . . . 2.50 parsed_2mmw 1 127 1 . . . . . . . 2.50 parsed_2mmw 1 128 1 . . . . . . . 4.50 parsed_2mmw 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 "DYANA Upper Limit File for molecule named: mcj.upl" 2 1 2 53 parsed_2mmw 1 2 "created on July 12 2010;" 3 1 3 27 parsed_2mmw 1 3 "based on NOESY 250 ms in CD3OD at 298 K" 4 1 4 42 parsed_2mmw 1 4 "Atom names according to the convention of cyana.lib" 5 1 5 53 parsed_2mmw 1 5 "Manual Input for proper geometry" 12 1 12 35 parsed_2mmw 1 6 "of side-chain/backbone peptide bond" 13 1 13 37 parsed_2mmw 1 7 "END Manual Input" 22 1 22 18 parsed_2mmw 1 stop_ save_
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