NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
561458 | 2m37 | 18948 | cing | 2-parsed | STAR | entry | full | 203 |
data_2m37_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2m37 _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_2m37 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2m37 _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 2m37 "Master copy" parsed_2m37 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2m37 _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 2m37.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m37 1 1 2m37.mr . . DYANA/DIANA 2 distance NOE simple 170 parsed_2m37 1 1 2m37.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_2m37 1 1 2m37.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m37 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_2m37 _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 UNKNOWN FUNCTION 14-JAN-13 2M37 *TITLE STRUCTURE OF LASSO PEPTIDE ASTEXIN-1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ASTEXIN-1; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: ASTICCACAULIS EXCENTRICUS; *SOURCE 3 ORGANISM_TAXID: 573065; *SOURCE 4 STRAIN: ATCC 15261 / DSM 4724 / VKM B-1370 / CB 48; *SOURCE 5 GENE: ATXA; *SOURCE 6 EXPRESSION_SYSTEM_STRAIN: CB48; *SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET41A *KEYWDS ASTEXIN-1, LASSO PEPTIDE, LARIAT PROTOKNOT, UNKNOWN FUNCTION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.ZIMMERMANN, J.D.HEGEMANN, X.XIE, M.A.MARAHIEL *REVDAT 1 01-MAY-13 2M37 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m37 _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_2m37 1 2 1 . . . parsed_2m37 1 3 1 . . . parsed_2m37 1 4 1 . . . parsed_2m37 1 5 1 . . . parsed_2m37 1 6 1 . . . parsed_2m37 1 7 1 . . . parsed_2m37 1 8 1 . . . parsed_2m37 1 9 1 . . . parsed_2m37 1 10 1 . . . parsed_2m37 1 11 1 . . . parsed_2m37 1 12 1 . . . parsed_2m37 1 13 1 . . . parsed_2m37 1 14 1 . . . parsed_2m37 1 15 1 . . . parsed_2m37 1 16 1 . . . parsed_2m37 1 17 1 . . . parsed_2m37 1 18 1 . . . parsed_2m37 1 19 1 . . . parsed_2m37 1 20 1 . . . parsed_2m37 1 21 1 . . . parsed_2m37 1 22 1 . . . parsed_2m37 1 23 1 . . . parsed_2m37 1 24 1 . . . parsed_2m37 1 25 1 . . . parsed_2m37 1 26 1 . . . parsed_2m37 1 27 1 . . . parsed_2m37 1 28 1 . . . parsed_2m37 1 29 1 . . . parsed_2m37 1 30 1 . . . parsed_2m37 1 31 1 . . . parsed_2m37 1 32 1 . . . parsed_2m37 1 33 1 . . . parsed_2m37 1 34 1 . . . parsed_2m37 1 35 1 . . . parsed_2m37 1 36 1 . . . parsed_2m37 1 37 1 . . . parsed_2m37 1 38 1 . . . parsed_2m37 1 39 1 . . . parsed_2m37 1 40 1 . . . parsed_2m37 1 41 1 . . . parsed_2m37 1 42 1 . . . parsed_2m37 1 43 1 . . . parsed_2m37 1 44 1 . . . parsed_2m37 1 45 1 . . . parsed_2m37 1 46 1 . . . parsed_2m37 1 47 1 . . . parsed_2m37 1 48 1 . . . parsed_2m37 1 49 1 . . . parsed_2m37 1 50 1 . . . parsed_2m37 1 51 1 . . . parsed_2m37 1 52 1 . . . parsed_2m37 1 53 1 . . . parsed_2m37 1 54 1 . . . parsed_2m37 1 55 1 . . . parsed_2m37 1 56 1 . . . parsed_2m37 1 57 1 . . . parsed_2m37 1 58 1 . . . parsed_2m37 1 59 1 . . . parsed_2m37 1 60 1 . . . parsed_2m37 1 61 1 . . . parsed_2m37 1 62 1 . . . parsed_2m37 1 63 1 . . . parsed_2m37 1 64 1 . . . parsed_2m37 1 65 1 . . . parsed_2m37 1 66 1 . . . parsed_2m37 1 67 1 . . . parsed_2m37 1 68 1 . . . parsed_2m37 1 69 1 . . . parsed_2m37 1 70 1 . . . parsed_2m37 1 71 1 . . . parsed_2m37 1 72 1 . . . parsed_2m37 1 73 1 . . . parsed_2m37 1 74 1 . . . parsed_2m37 1 75 1 . . . parsed_2m37 1 76 1 . . . parsed_2m37 1 77 1 . . . parsed_2m37 1 78 1 . . . parsed_2m37 1 79 1 . . . parsed_2m37 1 80 1 . . . parsed_2m37 1 81 1 . . . parsed_2m37 1 82 1 . . . parsed_2m37 1 83 1 . . . parsed_2m37 1 84 1 . . . parsed_2m37 1 85 1 . . . parsed_2m37 1 86 1 . . . parsed_2m37 1 87 1 . . . parsed_2m37 1 88 1 . . . parsed_2m37 1 89 1 . . . parsed_2m37 1 90 1 . . . parsed_2m37 1 91 1 . . . parsed_2m37 1 92 1 . . . parsed_2m37 1 93 1 . . . parsed_2m37 1 94 1 . . . parsed_2m37 1 95 1 . . . parsed_2m37 1 96 1 . . . parsed_2m37 1 97 1 . . . parsed_2m37 1 98 1 . . . parsed_2m37 1 99 1 . . . parsed_2m37 1 100 1 . . . parsed_2m37 1 101 1 . . . parsed_2m37 1 102 1 . . . parsed_2m37 1 103 1 . . . parsed_2m37 1 104 1 . . . parsed_2m37 1 105 1 . . . parsed_2m37 1 106 1 . . . parsed_2m37 1 107 1 . . . parsed_2m37 1 108 1 . . . parsed_2m37 1 109 1 . . . parsed_2m37 1 110 1 . . . parsed_2m37 1 111 1 . . . parsed_2m37 1 112 1 . . . parsed_2m37 1 113 1 . . . parsed_2m37 1 114 1 . . . parsed_2m37 1 115 1 . . . parsed_2m37 1 116 1 . . . parsed_2m37 1 117 1 . . . parsed_2m37 1 118 1 . . . parsed_2m37 1 119 1 . . . parsed_2m37 1 120 1 . . . parsed_2m37 1 121 1 . . . parsed_2m37 1 122 1 . . . parsed_2m37 1 123 1 . . . parsed_2m37 1 124 1 . . . parsed_2m37 1 125 1 . . . parsed_2m37 1 126 1 . . . parsed_2m37 1 127 1 . . . parsed_2m37 1 128 1 . . . parsed_2m37 1 129 1 . . . parsed_2m37 1 130 1 . . . parsed_2m37 1 131 1 . . . parsed_2m37 1 132 1 . . . parsed_2m37 1 133 1 . . . parsed_2m37 1 134 1 . . . parsed_2m37 1 135 1 . . . parsed_2m37 1 136 1 . . . parsed_2m37 1 137 1 . . . parsed_2m37 1 138 1 . . . parsed_2m37 1 139 1 . . . parsed_2m37 1 140 1 . . . parsed_2m37 1 141 1 . . . parsed_2m37 1 142 1 . . . parsed_2m37 1 143 1 . . . parsed_2m37 1 144 1 . . . parsed_2m37 1 145 1 . . . parsed_2m37 1 146 1 . . . parsed_2m37 1 147 1 . . . parsed_2m37 1 148 1 . . . parsed_2m37 1 149 1 . . . parsed_2m37 1 150 1 . . . parsed_2m37 1 151 1 . . . parsed_2m37 1 152 1 . . . parsed_2m37 1 153 1 . . . parsed_2m37 1 154 1 . . . parsed_2m37 1 155 1 . . . parsed_2m37 1 156 1 . . . parsed_2m37 1 157 1 . . . parsed_2m37 1 158 1 . . . parsed_2m37 1 159 1 . . . parsed_2m37 1 160 1 . . . parsed_2m37 1 161 1 . . . parsed_2m37 1 162 1 . . . parsed_2m37 1 163 1 . . . parsed_2m37 1 164 1 . . . parsed_2m37 1 165 1 . . . parsed_2m37 1 166 1 . . . parsed_2m37 1 167 1 . . . parsed_2m37 1 168 1 . . . parsed_2m37 1 169 1 . . . parsed_2m37 1 170 1 . . . parsed_2m37 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 N parsed_2m37 1 1 1 2 . . . . . . . . . 9 ASPP CG parsed_2m37 1 2 1 1 . . . . . . . . . 1 GLY N parsed_2m37 1 2 1 2 . . . . . . . . . 9 ASPP OD parsed_2m37 1 3 1 1 . . . . . . . . . 1 GLY N parsed_2m37 1 3 1 2 . . . . . . . . . 9 ASPP CG parsed_2m37 1 4 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 4 1 2 . . . . . . . . . 9 ASPP CG parsed_2m37 1 5 1 1 . . . . . . . . . 1 GLY CA parsed_2m37 1 5 1 2 . . . . . . . . . 9 ASPP CG parsed_2m37 1 6 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 6 1 2 . . . . . . . . . 1 GLY CA parsed_2m37 1 7 1 1 . . . . . . . . . 1 GLY CA parsed_2m37 1 7 1 2 . . . . . . . . . 9 ASPP OD parsed_2m37 1 8 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 8 1 2 . . . . . . . . . 9 ASPP OD parsed_2m37 1 9 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 9 1 2 . . . . . . . . . 9 ASPP HB2 parsed_2m37 1 10 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 10 1 2 . . . . . . . . . 10 ILE HG13 parsed_2m37 1 11 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 11 1 2 . . . . . . . . . 10 ILE QD1 parsed_2m37 1 12 1 1 . . . . . . . . . 1 GLY HA2 parsed_2m37 1 12 1 2 . . . . . . . . . 15 PHE HA parsed_2m37 1 13 1 1 . . . . . . . . . 1 GLY HA3 parsed_2m37 1 13 1 2 . . . . . . . . . 15 PHE HA parsed_2m37 1 14 1 1 . . . . . . . . . 3 SER H parsed_2m37 1 14 1 2 . . . . . . . . . 14 TYR H parsed_2m37 1 15 1 1 . . . . . . . . . 3 SER HB2 parsed_2m37 1 15 1 2 . . . . . . . . . 16 GLU HA parsed_2m37 1 16 1 1 . . . . . . . . . 4 GLN HA parsed_2m37 1 16 1 2 . . . . . . . . . 14 TYR HB2 parsed_2m37 1 17 1 1 . . . . . . . . . 5 GLY H parsed_2m37 1 17 1 2 . . . . . . . . . 14 TYR HB2 parsed_2m37 1 18 1 1 . . . . . . . . . 6 VAL H parsed_2m37 1 18 1 2 . . . . . . . . . 14 TYR HB3 parsed_2m37 1 19 1 1 . . . . . . . . . 7 GLU H parsed_2m37 1 19 1 2 . . . . . . . . . 14 TYR HB3 parsed_2m37 1 20 1 1 . . . . . . . . . 7 GLU H parsed_2m37 1 20 1 2 . . . . . . . . . 15 PHE H parsed_2m37 1 21 1 1 . . . . . . . . . 8 PRO HA parsed_2m37 1 21 1 2 . . . . . . . . . 14 TYR HA parsed_2m37 1 22 1 1 . . . . . . . . . 8 PRO HA parsed_2m37 1 22 1 2 . . . . . . . . . 15 PHE H parsed_2m37 1 23 1 1 . . . . . . . . . 9 ASPP H parsed_2m37 1 23 1 2 . . . . . . . . . 14 TYR HA parsed_2m37 1 24 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 24 1 2 . . . . . . . . . 1 GLY HA2 parsed_2m37 1 25 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 25 1 2 . . . . . . . . . 1 GLY HA3 parsed_2m37 1 26 1 1 . . . . . . . . . 1 GLY H parsed_2m37 1 26 1 2 . . . . . . . . . 2 LEU H parsed_2m37 1 27 1 1 . . . . . . . . . 1 GLY HA2 parsed_2m37 1 27 1 2 . . . . . . . . . 1 GLY HA3 parsed_2m37 1 28 1 1 . . . . . . . . . 2 LEU HA parsed_2m37 1 28 1 2 . . . . . . . . . 2 LEU HB3 parsed_2m37 1 29 1 1 . . . . . . . . . 2 LEU HA parsed_2m37 1 29 1 2 . . . . . . . . . 2 LEU HB2 parsed_2m37 1 30 1 1 . . . . . . . . . 2 LEU HA parsed_2m37 1 30 1 2 . . . . . . . . . 3 SER H parsed_2m37 1 31 1 1 . . . . . . . . . 3 SER H parsed_2m37 1 31 1 2 . . . . . . . . . 3 SER HA parsed_2m37 1 32 1 1 . . . . . . . . . 2 LEU H parsed_2m37 1 32 1 2 . . . . . . . . . 2 LEU HA parsed_2m37 1 33 1 1 . . . . . . . . . 2 LEU H parsed_2m37 1 33 1 2 . . . . . . . . . 2 LEU HB3 parsed_2m37 1 34 1 1 . . . . . . . . . 2 LEU H parsed_2m37 1 34 1 2 . . . . . . . . . 2 LEU HB2 parsed_2m37 1 35 1 1 . . . . . . . . . 2 LEU H parsed_2m37 1 35 1 2 . . . . . . . . . 3 SER H parsed_2m37 1 36 1 1 . . . . . . . . . 2 LEU HB3 parsed_2m37 1 36 1 2 . . . . . . . . . 2 LEU HB2 parsed_2m37 1 37 1 1 . . . . . . . . . 3 SER HA parsed_2m37 1 37 1 2 . . . . . . . . . 3 SER HB3 parsed_2m37 1 38 1 1 . . . . . . . . . 3 SER HA parsed_2m37 1 38 1 2 . . . . . . . . . 3 SER HB2 parsed_2m37 1 39 1 1 . . . . . . . . . 3 SER HA parsed_2m37 1 39 1 2 . . . . . . . . . 4 GLN H parsed_2m37 1 40 1 1 . . . . . . . . . 3 SER HB3 parsed_2m37 1 40 1 2 . . . . . . . . . 4 GLN H parsed_2m37 1 41 1 1 . . . . . . . . . 3 SER HB2 parsed_2m37 1 41 1 2 . . . . . . . . . 4 GLN H parsed_2m37 1 42 1 1 . . . . . . . . . 3 SER H parsed_2m37 1 42 1 2 . . . . . . . . . 3 SER HB2 parsed_2m37 1 43 1 1 . . . . . . . . . 3 SER HB2 parsed_2m37 1 43 1 2 . . . . . . . . . 3 SER HB3 parsed_2m37 1 44 1 1 . . . . . . . . . 4 GLN H parsed_2m37 1 44 1 2 . . . . . . . . . 4 GLN HA parsed_2m37 1 45 1 1 . . . . . . . . . 4 GLN H parsed_2m37 1 45 1 2 . . . . . . . . . 4 GLN HB2 parsed_2m37 1 46 1 1 . . . . . . . . . 4 GLN H parsed_2m37 1 46 1 2 . . . . . . . . . 4 GLN HB3 parsed_2m37 1 47 1 1 . . . . . . . . . 4 GLN HA parsed_2m37 1 47 1 2 . . . . . . . . . 4 GLN HB2 parsed_2m37 1 48 1 1 . . . . . . . . . 4 GLN HA parsed_2m37 1 48 1 2 . . . . . . . . . 4 GLN HB3 parsed_2m37 1 49 1 1 . . . . . . . . . 4 GLN HA parsed_2m37 1 49 1 2 . . . . . . . . . 5 GLY H parsed_2m37 1 50 1 1 . . . . . . . . . 4 GLN HE22 parsed_2m37 1 50 1 2 . . . . . . . . . 4 GLN HE21 parsed_2m37 1 51 1 1 . . . . . . . . . 5 GLY H parsed_2m37 1 51 1 2 . . . . . . . . . 5 GLY HA3 parsed_2m37 1 52 1 1 . . . . . . . . . 5 GLY H parsed_2m37 1 52 1 2 . . . . . . . . . 5 GLY HA2 parsed_2m37 1 53 1 1 . . . . . . . . . 5 GLY HA3 parsed_2m37 1 53 1 2 . . . . . . . . . 6 VAL H parsed_2m37 1 54 1 1 . . . . . . . . . 5 GLY HA2 parsed_2m37 1 54 1 2 . . . . . . . . . 6 VAL H parsed_2m37 1 55 1 1 . . . . . . . . . 5 GLY HA3 parsed_2m37 1 55 1 2 . . . . . . . . . 5 GLY HA2 parsed_2m37 1 56 1 1 . . . . . . . . . 6 VAL H parsed_2m37 1 56 1 2 . . . . . . . . . 6 VAL HA parsed_2m37 1 57 1 1 . . . . . . . . . 6 VAL H parsed_2m37 1 57 1 2 . . . . . . . . . 6 VAL HB parsed_2m37 1 58 1 1 . . . . . . . . . 6 VAL HA parsed_2m37 1 58 1 2 . . . . . . . . . 6 VAL HB parsed_2m37 1 59 1 1 . . . . . . . . . 6 VAL HA parsed_2m37 1 59 1 2 . . . . . . . . . 7 GLU H parsed_2m37 1 60 1 1 . . . . . . . . . 6 VAL HB parsed_2m37 1 60 1 2 . . . . . . . . . 7 GLU H parsed_2m37 1 61 1 1 . . . . . . . . . 6 VAL H parsed_2m37 1 61 1 2 . . . . . . . . . 7 GLU H parsed_2m37 1 62 1 1 . . . . . . . . . 7 GLU H parsed_2m37 1 62 1 2 . . . . . . . . . 7 GLU HA parsed_2m37 1 63 1 1 . . . . . . . . . 7 GLU H parsed_2m37 1 63 1 2 . . . . . . . . . 7 GLU HB2 parsed_2m37 1 64 1 1 . . . . . . . . . 7 GLU H parsed_2m37 1 64 1 2 . . . . . . . . . 7 GLU HB3 parsed_2m37 1 65 1 1 . . . . . . . . . 7 GLU HA parsed_2m37 1 65 1 2 . . . . . . . . . 7 GLU HB2 parsed_2m37 1 66 1 1 . . . . . . . . . 7 GLU HA parsed_2m37 1 66 1 2 . . . . . . . . . 7 GLU HB3 parsed_2m37 1 67 1 1 . . . . . . . . . 7 GLU H parsed_2m37 1 67 1 2 . . . . . . . . . 7 GLU HG3 parsed_2m37 1 68 1 1 . . . . . . . . . 7 GLU H parsed_2m37 1 68 1 2 . . . . . . . . . 7 GLU HG2 parsed_2m37 1 69 1 1 . . . . . . . . . 7 GLU HA parsed_2m37 1 69 1 2 . . . . . . . . . 7 GLU HG3 parsed_2m37 1 70 1 1 . . . . . . . . . 7 GLU HA parsed_2m37 1 70 1 2 . . . . . . . . . 7 GLU HG2 parsed_2m37 1 71 1 1 . . . . . . . . . 7 GLU HA parsed_2m37 1 71 1 2 . . . . . . . . . 8 PRO HD3 parsed_2m37 1 72 1 1 . . . . . . . . . 7 GLU HA parsed_2m37 1 72 1 2 . . . . . . . . . 8 PRO HD2 parsed_2m37 1 73 1 1 . . . . . . . . . 8 PRO HD2 parsed_2m37 1 73 1 2 . . . . . . . . . 8 PRO HG2 parsed_2m37 1 74 1 1 . . . . . . . . . 8 PRO HD2 parsed_2m37 1 74 1 2 . . . . . . . . . 8 PRO HG3 parsed_2m37 1 75 1 1 . . . . . . . . . 8 PRO HA parsed_2m37 1 75 1 2 . . . . . . . . . 8 PRO HG3 parsed_2m37 1 76 1 1 . . . . . . . . . 8 PRO HD3 parsed_2m37 1 76 1 2 . . . . . . . . . 8 PRO HB3 parsed_2m37 1 77 1 1 . . . . . . . . . 8 PRO HD3 parsed_2m37 1 77 1 2 . . . . . . . . . 8 PRO HG3 parsed_2m37 1 78 1 1 . . . . . . . . . 8 PRO HB3 parsed_2m37 1 78 1 2 . . . . . . . . . 8 PRO HA parsed_2m37 1 79 1 1 . . . . . . . . . 8 PRO HB2 parsed_2m37 1 79 1 2 . . . . . . . . . 8 PRO HA parsed_2m37 1 80 1 1 . . . . . . . . . 8 PRO HA parsed_2m37 1 80 1 2 . . . . . . . . . 9 ASPP H parsed_2m37 1 81 1 1 . . . . . . . . . 8 PRO HB2 parsed_2m37 1 81 1 2 . . . . . . . . . 9 ASPP H parsed_2m37 1 82 1 1 . . . . . . . . . 8 PRO HB3 parsed_2m37 1 82 1 2 . . . . . . . . . 8 PRO HB2 parsed_2m37 1 83 1 1 . . . . . . . . . 8 PRO HD3 parsed_2m37 1 83 1 2 . . . . . . . . . 8 PRO HD2 parsed_2m37 1 84 1 1 . . . . . . . . . 9 ASPP H parsed_2m37 1 84 1 2 . . . . . . . . . 9 ASPP HA parsed_2m37 1 85 1 1 . . . . . . . . . 9 ASPP H parsed_2m37 1 85 1 2 . . . . . . . . . 9 ASPP HB2 parsed_2m37 1 86 1 1 . . . . . . . . . 9 ASPP H parsed_2m37 1 86 1 2 . . . . . . . . . 9 ASPP HB3 parsed_2m37 1 87 1 1 . . . . . . . . . 9 ASPP HA parsed_2m37 1 87 1 2 . . . . . . . . . 9 ASPP HB2 parsed_2m37 1 88 1 1 . . . . . . . . . 9 ASPP HA parsed_2m37 1 88 1 2 . . . . . . . . . 9 ASPP HB3 parsed_2m37 1 89 1 1 . . . . . . . . . 9 ASPP HB2 parsed_2m37 1 89 1 2 . . . . . . . . . 9 ASPP HB3 parsed_2m37 1 90 1 1 . . . . . . . . . 9 ASPP HA parsed_2m37 1 90 1 2 . . . . . . . . . 10 ILE H parsed_2m37 1 91 1 1 . . . . . . . . . 9 ASPP HB2 parsed_2m37 1 91 1 2 . . . . . . . . . 10 ILE H parsed_2m37 1 92 1 1 . . . . . . . . . 9 ASPP H parsed_2m37 1 92 1 2 . . . . . . . . . 10 ILE H parsed_2m37 1 93 1 1 . . . . . . . . . 10 ILE H parsed_2m37 1 93 1 2 . . . . . . . . . 10 ILE HA parsed_2m37 1 94 1 1 . . . . . . . . . 10 ILE H parsed_2m37 1 94 1 2 . . . . . . . . . 10 ILE HB parsed_2m37 1 95 1 1 . . . . . . . . . 10 ILE H parsed_2m37 1 95 1 2 . . . . . . . . . 10 ILE HG12 parsed_2m37 1 96 1 1 . . . . . . . . . 10 ILE H parsed_2m37 1 96 1 2 . . . . . . . . . 10 ILE HG13 parsed_2m37 1 97 1 1 . . . . . . . . . 10 ILE HA parsed_2m37 1 97 1 2 . . . . . . . . . 10 ILE HB parsed_2m37 1 98 1 1 . . . . . . . . . 10 ILE HA parsed_2m37 1 98 1 2 . . . . . . . . . 10 ILE HG12 parsed_2m37 1 99 1 1 . . . . . . . . . 10 ILE HA parsed_2m37 1 99 1 2 . . . . . . . . . 10 ILE QG2 parsed_2m37 1 100 1 1 . . . . . . . . . 10 ILE QG2 parsed_2m37 1 100 1 2 . . . . . . . . . 10 ILE HB parsed_2m37 1 101 1 1 . . . . . . . . . 10 ILE HB parsed_2m37 1 101 1 2 . . . . . . . . . 10 ILE QD1 parsed_2m37 1 102 1 1 . . . . . . . . . 10 ILE HG12 parsed_2m37 1 102 1 2 . . . . . . . . . 10 ILE HG13 parsed_2m37 1 103 1 1 . . . . . . . . . 10 ILE HB parsed_2m37 1 103 1 2 . . . . . . . . . 10 ILE HG12 parsed_2m37 1 104 1 1 . . . . . . . . . 10 ILE HA parsed_2m37 1 104 1 2 . . . . . . . . . 11 GLY H parsed_2m37 1 105 1 1 . . . . . . . . . 10 ILE HB parsed_2m37 1 105 1 2 . . . . . . . . . 11 GLY H parsed_2m37 1 106 1 1 . . . . . . . . . 11 GLY H parsed_2m37 1 106 1 2 . . . . . . . . . 11 GLY HA2 parsed_2m37 1 107 1 1 . . . . . . . . . 11 GLY H parsed_2m37 1 107 1 2 . . . . . . . . . 11 GLY HA3 parsed_2m37 1 108 1 1 . . . . . . . . . 11 GLY HA3 parsed_2m37 1 108 1 2 . . . . . . . . . 11 GLY HA2 parsed_2m37 1 109 1 1 . . . . . . . . . 11 GLY HA2 parsed_2m37 1 109 1 2 . . . . . . . . . 12 GLN H parsed_2m37 1 110 1 1 . . . . . . . . . 11 GLY HA3 parsed_2m37 1 110 1 2 . . . . . . . . . 12 GLN H parsed_2m37 1 111 1 1 . . . . . . . . . 11 GLY HA2 parsed_2m37 1 111 1 2 . . . . . . . . . 13 THR H parsed_2m37 1 112 1 1 . . . . . . . . . 12 GLN HA parsed_2m37 1 112 1 2 . . . . . . . . . 13 THR H parsed_2m37 1 113 1 1 . . . . . . . . . 12 GLN H parsed_2m37 1 113 1 2 . . . . . . . . . 12 GLN HG3 parsed_2m37 1 114 1 1 . . . . . . . . . 12 GLN HA parsed_2m37 1 114 1 2 . . . . . . . . . 12 GLN HG3 parsed_2m37 1 115 1 1 . . . . . . . . . 12 GLN HA parsed_2m37 1 115 1 2 . . . . . . . . . 12 GLN HG2 parsed_2m37 1 116 1 1 . . . . . . . . . 12 GLN HA parsed_2m37 1 116 1 2 . . . . . . . . . 12 GLN QB parsed_2m37 1 117 1 1 . . . . . . . . . 12 GLN H parsed_2m37 1 117 1 2 . . . . . . . . . 12 GLN HA parsed_2m37 1 118 1 1 . . . . . . . . . 12 GLN HE22 parsed_2m37 1 118 1 2 . . . . . . . . . 12 GLN HE21 parsed_2m37 1 119 1 1 . . . . . . . . . 12 GLN H parsed_2m37 1 119 1 2 . . . . . . . . . 13 THR QG2 parsed_2m37 1 120 1 1 . . . . . . . . . 12 GLN H parsed_2m37 1 120 1 2 . . . . . . . . . 13 THR H parsed_2m37 1 121 1 1 . . . . . . . . . 13 THR H parsed_2m37 1 121 1 2 . . . . . . . . . 13 THR HB parsed_2m37 1 122 1 1 . . . . . . . . . 13 THR H parsed_2m37 1 122 1 2 . . . . . . . . . 13 THR QG2 parsed_2m37 1 123 1 1 . . . . . . . . . 13 THR H parsed_2m37 1 123 1 2 . . . . . . . . . 13 THR HA parsed_2m37 1 124 1 1 . . . . . . . . . 13 THR HA parsed_2m37 1 124 1 2 . . . . . . . . . 14 TYR H parsed_2m37 1 125 1 1 . . . . . . . . . 14 TYR H parsed_2m37 1 125 1 2 . . . . . . . . . 14 TYR HA parsed_2m37 1 126 1 1 . . . . . . . . . 14 TYR H parsed_2m37 1 126 1 2 . . . . . . . . . 14 TYR HB3 parsed_2m37 1 127 1 1 . . . . . . . . . 14 TYR H parsed_2m37 1 127 1 2 . . . . . . . . . 14 TYR HB2 parsed_2m37 1 128 1 1 . . . . . . . . . 14 TYR HB3 parsed_2m37 1 128 1 2 . . . . . . . . . 14 TYR HB2 parsed_2m37 1 129 1 1 . . . . . . . . . 14 TYR HA parsed_2m37 1 129 1 2 . . . . . . . . . 14 TYR HB3 parsed_2m37 1 130 1 1 . . . . . . . . . 14 TYR HA parsed_2m37 1 130 1 2 . . . . . . . . . 14 TYR HB2 parsed_2m37 1 131 1 1 . . . . . . . . . 14 TYR HA parsed_2m37 1 131 1 2 . . . . . . . . . 15 PHE H parsed_2m37 1 132 1 1 . . . . . . . . . 14 TYR HB3 parsed_2m37 1 132 1 2 . . . . . . . . . 15 PHE H parsed_2m37 1 133 1 1 . . . . . . . . . 14 TYR HB2 parsed_2m37 1 133 1 2 . . . . . . . . . 15 PHE H parsed_2m37 1 134 1 1 . . . . . . . . . 15 PHE H parsed_2m37 1 134 1 2 . . . . . . . . . 15 PHE HA parsed_2m37 1 135 1 1 . . . . . . . . . 15 PHE H parsed_2m37 1 135 1 2 . . . . . . . . . 15 PHE HB2 parsed_2m37 1 136 1 1 . . . . . . . . . 15 PHE H parsed_2m37 1 136 1 2 . . . . . . . . . 15 PHE HB3 parsed_2m37 1 137 1 1 . . . . . . . . . 15 PHE HA parsed_2m37 1 137 1 2 . . . . . . . . . 15 PHE HB3 parsed_2m37 1 138 1 1 . . . . . . . . . 15 PHE HA parsed_2m37 1 138 1 2 . . . . . . . . . 15 PHE HB2 parsed_2m37 1 139 1 1 . . . . . . . . . 15 PHE HA parsed_2m37 1 139 1 2 . . . . . . . . . 16 GLU H parsed_2m37 1 140 1 1 . . . . . . . . . 15 PHE HB3 parsed_2m37 1 140 1 2 . . . . . . . . . 15 PHE HB2 parsed_2m37 1 141 1 1 . . . . . . . . . 15 PHE HB3 parsed_2m37 1 141 1 2 . . . . . . . . . 16 GLU H parsed_2m37 1 142 1 1 . . . . . . . . . 15 PHE HB2 parsed_2m37 1 142 1 2 . . . . . . . . . 16 GLU H parsed_2m37 1 143 1 1 . . . . . . . . . 16 GLU H parsed_2m37 1 143 1 2 . . . . . . . . . 16 GLU HA parsed_2m37 1 144 1 1 . . . . . . . . . 16 GLU HA parsed_2m37 1 144 1 2 . . . . . . . . . 16 GLU HB2 parsed_2m37 1 145 1 1 . . . . . . . . . 16 GLU HA parsed_2m37 1 145 1 2 . . . . . . . . . 16 GLU HB3 parsed_2m37 1 146 1 1 . . . . . . . . . 16 GLU H parsed_2m37 1 146 1 2 . . . . . . . . . 16 GLU HB2 parsed_2m37 1 147 1 1 . . . . . . . . . 16 GLU H parsed_2m37 1 147 1 2 . . . . . . . . . 16 GLU HB3 parsed_2m37 1 148 1 1 . . . . . . . . . 16 GLU HA parsed_2m37 1 148 1 2 . . . . . . . . . 16 GLU QG parsed_2m37 1 149 1 1 . . . . . . . . . 16 GLU HA parsed_2m37 1 149 1 2 . . . . . . . . . 17 GLU H parsed_2m37 1 150 1 1 . . . . . . . . . 17 GLU H parsed_2m37 1 150 1 2 . . . . . . . . . 17 GLU HA parsed_2m37 1 151 1 1 . . . . . . . . . 17 GLU H parsed_2m37 1 151 1 2 . . . . . . . . . 17 GLU HB2 parsed_2m37 1 152 1 1 . . . . . . . . . 17 GLU H parsed_2m37 1 152 1 2 . . . . . . . . . 17 GLU HB3 parsed_2m37 1 153 1 1 . . . . . . . . . 17 GLU HA parsed_2m37 1 153 1 2 . . . . . . . . . 17 GLU HB2 parsed_2m37 1 154 1 1 . . . . . . . . . 17 GLU HA parsed_2m37 1 154 1 2 . . . . . . . . . 17 GLU HB3 parsed_2m37 1 155 1 1 . . . . . . . . . 17 GLU H parsed_2m37 1 155 1 2 . . . . . . . . . 17 GLU HG2 parsed_2m37 1 156 1 1 . . . . . . . . . 17 GLU H parsed_2m37 1 156 1 2 . . . . . . . . . 17 GLU HG3 parsed_2m37 1 157 1 1 . . . . . . . . . 17 GLU HA parsed_2m37 1 157 1 2 . . . . . . . . . 17 GLU HG3 parsed_2m37 1 158 1 1 . . . . . . . . . 17 GLU HB3 parsed_2m37 1 158 1 2 . . . . . . . . . 17 GLU HG2 parsed_2m37 1 159 1 1 . . . . . . . . . 17 GLU HA parsed_2m37 1 159 1 2 . . . . . . . . . 18 SER H parsed_2m37 1 160 1 1 . . . . . . . . . 17 GLU H parsed_2m37 1 160 1 2 . . . . . . . . . 18 SER H parsed_2m37 1 161 1 1 . . . . . . . . . 17 GLU HB2 parsed_2m37 1 161 1 2 . . . . . . . . . 18 SER H parsed_2m37 1 162 1 1 . . . . . . . . . 17 GLU HB3 parsed_2m37 1 162 1 2 . . . . . . . . . 18 SER H parsed_2m37 1 163 1 1 . . . . . . . . . 18 SER H parsed_2m37 1 163 1 2 . . . . . . . . . 18 SER HA parsed_2m37 1 164 1 1 . . . . . . . . . 18 SER H parsed_2m37 1 164 1 2 . . . . . . . . . 18 SER QB parsed_2m37 1 165 1 1 . . . . . . . . . 18 SER HA parsed_2m37 1 165 1 2 . . . . . . . . . 19 ARG H parsed_2m37 1 166 1 1 . . . . . . . . . 18 SER QB parsed_2m37 1 166 1 2 . . . . . . . . . 19 ARG H parsed_2m37 1 167 1 1 . . . . . . . . . 19 ARG H parsed_2m37 1 167 1 2 . . . . . . . . . 19 ARG HA parsed_2m37 1 168 1 1 . . . . . . . . . 19 ARG H parsed_2m37 1 168 1 2 . . . . . . . . . 19 ARG QB parsed_2m37 1 169 1 1 . . . . . . . . . 19 ARG HA parsed_2m37 1 169 1 2 . . . . . . . . . 19 ARG HG3 parsed_2m37 1 170 1 1 . . . . . . . . . 19 ARG HA parsed_2m37 1 170 1 2 . . . . . . . . . 19 ARG HG2 parsed_2m37 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 . . . . . . . 1.33 parsed_2m37 1 2 1 . . . . . . . 2.26 parsed_2m37 1 3 1 . . . . . . . 2.41 parsed_2m37 1 4 1 . . . . . . . 2.06 parsed_2m37 1 5 1 . . . . . . . 2.42 parsed_2m37 1 6 1 . . . . . . . 2.09 parsed_2m37 1 7 1 . . . . . . . 2.78 parsed_2m37 1 8 1 . . . . . . . 3.17 parsed_2m37 1 9 1 . . . . . . . 2.50 parsed_2m37 1 10 1 . . . . . . . 4.00 parsed_2m37 1 11 1 . . . . . . . 4.50 parsed_2m37 1 12 1 . . . . . . . 3.80 parsed_2m37 1 13 1 . . . . . . . 3.00 parsed_2m37 1 14 1 . . . . . . . 2.80 parsed_2m37 1 15 1 . . . . . . . 4.00 parsed_2m37 1 16 1 . . . . . . . 3.50 parsed_2m37 1 17 1 . . . . . . . 3.00 parsed_2m37 1 18 1 . . . . . . . 3.50 parsed_2m37 1 19 1 . . . . . . . 3.50 parsed_2m37 1 20 1 . . . . . . . 4.50 parsed_2m37 1 21 1 . . . . . . . 2.80 parsed_2m37 1 22 1 . . . . . . . 3.50 parsed_2m37 1 23 1 . . . . . . . 3.20 parsed_2m37 1 24 1 . . . . . . . 2.62 parsed_2m37 1 25 1 . . . . . . . 3.14 parsed_2m37 1 26 1 . . . . . . . 4.50 parsed_2m37 1 27 1 . . . . . . . 2.40 parsed_2m37 1 28 1 . . . . . . . 2.50 parsed_2m37 1 29 1 . . . . . . . 3.00 parsed_2m37 1 30 1 . . . . . . . 3.50 parsed_2m37 1 31 1 . . . . . . . 3.00 parsed_2m37 1 32 1 . . . . . . . 3.00 parsed_2m37 1 33 1 . . . . . . . 4.00 parsed_2m37 1 34 1 . . . . . . . 2.90 parsed_2m37 1 35 1 . . . . . . . 2.50 parsed_2m37 1 36 1 . . . . . . . 2.40 parsed_2m37 1 37 1 . . . . . . . 2.50 parsed_2m37 1 38 1 . . . . . . . 3.00 parsed_2m37 1 39 1 . . . . . . . 2.80 parsed_2m37 1 40 1 . . . . . . . 2.50 parsed_2m37 1 41 1 . . . . . . . 2.80 parsed_2m37 1 42 1 . . . . . . . 3.00 parsed_2m37 1 43 1 . . . . . . . 2.40 parsed_2m37 1 44 1 . . . . . . . 3.20 parsed_2m37 1 45 1 . . . . . . . 3.70 parsed_2m37 1 46 1 . . . . . . . 3.20 parsed_2m37 1 47 1 . . . . . . . 2.80 parsed_2m37 1 48 1 . . . . . . . 2.80 parsed_2m37 1 49 1 . . . . . . . 2.50 parsed_2m37 1 50 1 . . . . . . . 2.46 parsed_2m37 1 51 1 . . . . . . . 3.00 parsed_2m37 1 52 1 . . . . . . . 2.50 parsed_2m37 1 53 1 . . . . . . . 2.80 parsed_2m37 1 54 1 . . . . . . . 3.20 parsed_2m37 1 55 1 . . . . . . . 2.40 parsed_2m37 1 56 1 . . . . . . . 3.00 parsed_2m37 1 57 1 . . . . . . . 4.00 parsed_2m37 1 58 1 . . . . . . . 2.50 parsed_2m37 1 59 1 . . . . . . . 3.80 parsed_2m37 1 60 1 . . . . . . . 4.00 parsed_2m37 1 61 1 . . . . . . . 2.20 parsed_2m37 1 62 1 . . . . . . . 3.20 parsed_2m37 1 63 1 . . . . . . . 4.00 parsed_2m37 1 64 1 . . . . . . . 3.20 parsed_2m37 1 65 1 . . . . . . . 2.80 parsed_2m37 1 66 1 . . . . . . . 2.80 parsed_2m37 1 67 1 . . . . . . . 3.50 parsed_2m37 1 68 1 . . . . . . . 2.50 parsed_2m37 1 69 1 . . . . . . . 4.00 parsed_2m37 1 70 1 . . . . . . . 4.00 parsed_2m37 1 71 1 . . . . . . . 2.50 parsed_2m37 1 72 1 . . . . . . . 2.50 parsed_2m37 1 73 1 . . . . . . . 2.50 parsed_2m37 1 74 1 . . . . . . . 2.80 parsed_2m37 1 75 1 . . . . . . . 3.50 parsed_2m37 1 76 1 . . . . . . . 3.20 parsed_2m37 1 77 1 . . . . . . . 2.80 parsed_2m37 1 78 1 . . . . . . . 2.50 parsed_2m37 1 79 1 . . . . . . . 3.00 parsed_2m37 1 80 1 . . . . . . . 2.40 parsed_2m37 1 81 1 . . . . . . . 3.20 parsed_2m37 1 82 1 . . . . . . . 2.40 parsed_2m37 1 83 1 . . . . . . . 2.40 parsed_2m37 1 84 1 . . . . . . . 3.00 parsed_2m37 1 85 1 . . . . . . . 3.20 parsed_2m37 1 86 1 . . . . . . . 3.80 parsed_2m37 1 87 1 . . . . . . . 3.00 parsed_2m37 1 88 1 . . . . . . . 2.50 parsed_2m37 1 89 1 . . . . . . . 2.40 parsed_2m37 1 90 1 . . . . . . . 3.80 parsed_2m37 1 91 1 . . . . . . . 3.20 parsed_2m37 1 92 1 . . . . . . . 2.50 parsed_2m37 1 93 1 . . . . . . . 3.20 parsed_2m37 1 94 1 . . . . . . . 3.00 parsed_2m37 1 95 1 . . . . . . . 3.50 parsed_2m37 1 96 1 . . . . . . . 3.00 parsed_2m37 1 97 1 . . . . . . . 3.00 parsed_2m37 1 98 1 . . . . . . . 3.00 parsed_2m37 1 99 1 . . . . . . . 3.00 parsed_2m37 1 100 1 . . . . . . . 2.50 parsed_2m37 1 101 1 . . . . . . . 3.20 parsed_2m37 1 102 1 . . . . . . . 2.40 parsed_2m37 1 103 1 . . . . . . . 3.20 parsed_2m37 1 104 1 . . . . . . . 2.60 parsed_2m37 1 105 1 . . . . . . . 3.50 parsed_2m37 1 106 1 . . . . . . . 2.50 parsed_2m37 1 107 1 . . . . . . . 2.80 parsed_2m37 1 108 1 . . . . . . . 2.40 parsed_2m37 1 109 1 . . . . . . . 2.50 parsed_2m37 1 110 1 . . . . . . . 2.80 parsed_2m37 1 111 1 . . . . . . . 3.50 parsed_2m37 1 112 1 . . . . . . . 3.20 parsed_2m37 1 113 1 . . . . . . . 4.50 parsed_2m37 1 114 1 . . . . . . . 2.50 parsed_2m37 1 115 1 . . . . . . . 3.20 parsed_2m37 1 116 1 . . . . . . . 3.50 parsed_2m37 1 117 1 . . . . . . . 3.00 parsed_2m37 1 118 1 . . . . . . . 2.55 parsed_2m37 1 119 1 . . . . . . . 4.50 parsed_2m37 1 120 1 . . . . . . . 2.80 parsed_2m37 1 121 1 . . . . . . . 3.50 parsed_2m37 1 122 1 . . . . . . . 3.50 parsed_2m37 1 123 1 . . . . . . . 3.00 parsed_2m37 1 124 1 . . . . . . . 2.50 parsed_2m37 1 125 1 . . . . . . . 3.00 parsed_2m37 1 126 1 . . . . . . . 3.80 parsed_2m37 1 127 1 . . . . . . . 3.00 parsed_2m37 1 128 1 . . . . . . . 2.40 parsed_2m37 1 129 1 . . . . . . . 2.50 parsed_2m37 1 130 1 . . . . . . . 3.00 parsed_2m37 1 131 1 . . . . . . . 2.50 parsed_2m37 1 132 1 . . . . . . . 3.00 parsed_2m37 1 133 1 . . . . . . . 3.50 parsed_2m37 1 134 1 . . . . . . . 3.20 parsed_2m37 1 135 1 . . . . . . . 2.50 parsed_2m37 1 136 1 . . . . . . . 3.50 parsed_2m37 1 137 1 . . . . . . . 2.90 parsed_2m37 1 138 1 . . . . . . . 3.20 parsed_2m37 1 139 1 . . . . . . . 2.50 parsed_2m37 1 140 1 . . . . . . . 2.40 parsed_2m37 1 141 1 . . . . . . . 3.00 parsed_2m37 1 142 1 . . . . . . . 4.20 parsed_2m37 1 143 1 . . . . . . . 2.90 parsed_2m37 1 144 1 . . . . . . . 3.00 parsed_2m37 1 145 1 . . . . . . . 3.00 parsed_2m37 1 146 1 . . . . . . . 2.50 parsed_2m37 1 147 1 . . . . . . . 3.00 parsed_2m37 1 148 1 . . . . . . . 3.50 parsed_2m37 1 149 1 . . . . . . . 2.60 parsed_2m37 1 150 1 . . . . . . . 3.00 parsed_2m37 1 151 1 . . . . . . . 3.80 parsed_2m37 1 152 1 . . . . . . . 3.00 parsed_2m37 1 153 1 . . . . . . . 2.80 parsed_2m37 1 154 1 . . . . . . . 2.80 parsed_2m37 1 155 1 . . . . . . . 2.50 parsed_2m37 1 156 1 . . . . . . . 3.00 parsed_2m37 1 157 1 . . . . . . . 4.00 parsed_2m37 1 158 1 . . . . . . . 2.50 parsed_2m37 1 159 1 . . . . . . . 2.80 parsed_2m37 1 160 1 . . . . . . . 3.00 parsed_2m37 1 161 1 . . . . . . . 4.50 parsed_2m37 1 162 1 . . . . . . . 4.80 parsed_2m37 1 163 1 . . . . . . . 2.80 parsed_2m37 1 164 1 . . . . . . . 3.50 parsed_2m37 1 165 1 . . . . . . . 2.50 parsed_2m37 1 166 1 . . . . . . . 3.50 parsed_2m37 1 167 1 . . . . . . . 3.00 parsed_2m37 1 168 1 . . . . . . . 3.50 parsed_2m37 1 169 1 . . . . . . . 3.00 parsed_2m37 1 170 1 . . . . . . . 3.00 parsed_2m37 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 "CYANA Upper Limit File for molecule named: ex19-7.upl" 1 1 1 56 parsed_2m37 1 2 "based on NOESY 100 ms in H2O/D2O (9:1) at 283 K" 2 1 2 50 parsed_2m37 1 3 "Atom names according to the convention of cyana.lib" 3 1 3 53 parsed_2m37 1 4 "Upper limit distances produced by CYANA caliba" 4 1 4 48 parsed_2m37 1 5 "Long-range upper limit calibrated with gernimal proton noes" 5 1 5 61 parsed_2m37 1 6 "Including Stereo Specific Assignments" 6 1 6 39 parsed_2m37 1 7 "Manual Input for proper geometry" 7 1 7 35 parsed_2m37 1 8 "of side-chain/backbone peptide bond" 8 1 8 37 parsed_2m37 1 9 "END Manual Input" 17 1 17 18 parsed_2m37 1 10 "Long-range NOEs" 18 1 18 17 parsed_2m37 1 11 "peak 169" 19 49 19 59 parsed_2m37 1 12 "peak 360" 20 49 20 59 parsed_2m37 1 13 "peak 362" 21 49 21 59 parsed_2m37 1 14 "peak 453" 22 49 22 59 parsed_2m37 1 15 "peak 474" 23 49 23 59 parsed_2m37 1 16 "peak 186" 24 49 24 59 parsed_2m37 1 17 "peak 448" 25 49 25 59 parsed_2m37 1 18 "peak 458" 26 49 26 59 parsed_2m37 1 19 "peak 159" 27 49 27 59 parsed_2m37 1 20 "peak 346" 28 49 28 59 parsed_2m37 1 21 "peak 110" 29 49 29 59 parsed_2m37 1 22 "peak 490" 30 49 30 59 parsed_2m37 1 23 "peak 452" 31 49 31 59 parsed_2m37 1 24 "peak 149" 32 49 32 59 parsed_2m37 1 25 "peak 152" 33 49 33 59 parsed_2m37 1 26 END 34 1 34 6 parsed_2m37 1 27 "peak 56" 35 49 35 59 parsed_2m37 1 28 "peak 57" 36 49 36 59 parsed_2m37 1 29 "peak 487" 37 49 37 59 parsed_2m37 1 30 "peak 446" 38 49 38 59 parsed_2m37 1 31 "peak 480" 39 49 39 59 parsed_2m37 1 32 "peak 481" 40 49 40 59 parsed_2m37 1 33 "peak 127" 41 49 41 59 parsed_2m37 1 34 "peak 22" 42 49 42 59 parsed_2m37 1 35 "peak 25" 43 49 43 59 parsed_2m37 1 36 "peak 26" 44 49 44 59 parsed_2m37 1 37 "peak 27" 45 49 45 59 parsed_2m37 1 38 "peak 187" 46 49 46 59 parsed_2m37 1 39 "peak 440" 47 49 47 59 parsed_2m37 1 40 "peak 66" 48 49 48 59 parsed_2m37 1 41 "peak 67" 49 49 49 59 parsed_2m37 1 42 "peak 144" 50 49 50 59 parsed_2m37 1 43 "peak 145" 51 49 51 59 parsed_2m37 1 44 "peak 146" 52 49 52 59 parsed_2m37 1 45 "peak 273" 53 49 53 59 parsed_2m37 1 46 "peak 434" 54 49 54 59 parsed_2m37 1 47 "peak 46" 55 49 55 59 parsed_2m37 1 48 "peak 295" 56 49 56 59 parsed_2m37 1 49 "peak 49" 57 49 57 59 parsed_2m37 1 50 "peak 79" 58 49 58 59 parsed_2m37 1 51 "peak 80" 59 49 59 59 parsed_2m37 1 52 "peak 158" 60 49 60 59 parsed_2m37 1 53 "peak 191" 61 49 61 59 parsed_2m37 1 54 "peak 58" 62 49 62 59 parsed_2m37 1 55 "peak 59" 63 49 63 59 parsed_2m37 1 56 "peak 168" 64 49 64 59 parsed_2m37 1 57 "peak 345" 65 49 65 59 parsed_2m37 1 58 "peak 449" 66 49 66 59 parsed_2m37 1 59 "peak 286" 67 49 67 59 parsed_2m37 1 60 "peak 39" 68 49 68 59 parsed_2m37 1 61 "peak 97" 69 49 69 59 parsed_2m37 1 62 "peak 109" 70 49 70 59 parsed_2m37 1 63 "peak 111" 71 49 71 59 parsed_2m37 1 64 "peak 249" 72 49 72 59 parsed_2m37 1 65 "peak 1" 73 49 73 59 parsed_2m37 1 66 "peak 4" 74 49 74 59 parsed_2m37 1 67 "peak 5" 75 49 75 59 parsed_2m37 1 68 "peak 75" 76 49 76 59 parsed_2m37 1 69 "peak 76" 77 49 77 59 parsed_2m37 1 70 "peak 2" 78 49 78 59 parsed_2m37 1 71 "peak 3" 79 49 79 59 parsed_2m37 1 72 "peak 73" 80 49 80 59 parsed_2m37 1 73 "peak 74" 81 49 81 59 parsed_2m37 1 74 "peak 450" 82 49 82 59 parsed_2m37 1 75 "peak 451" 83 49 83 59 parsed_2m37 1 76 "peak 99" 84 49 84 59 parsed_2m37 1 77 "peak 100" 85 49 85 59 parsed_2m37 1 78 "peak 104" 86 49 86 59 parsed_2m37 1 79 "peak 81" 87 49 87 59 parsed_2m37 1 80 "peak 83" 88 49 88 59 parsed_2m37 1 81 "peak 471" 89 49 89 59 parsed_2m37 1 82 "peak 473" 90 49 90 59 parsed_2m37 1 83 "peak 153" 91 49 91 59 parsed_2m37 1 84 "peak 154" 92 49 92 59 parsed_2m37 1 85 "peak 437" 93 49 93 59 parsed_2m37 1 86 "peak 447" 94 49 94 59 parsed_2m37 1 87 "peak 53" 95 49 95 59 parsed_2m37 1 88 "peak 54" 96 49 96 59 parsed_2m37 1 89 "peak 302" 97 49 97 59 parsed_2m37 1 90 "peak 78" 98 49 98 59 parsed_2m37 1 91 "peak 459" 99 49 99 59 parsed_2m37 1 92 "peak 416" 100 49 100 59 parsed_2m37 1 93 "peak 162" 101 49 101 59 parsed_2m37 1 94 "peak 163" 102 49 102 59 parsed_2m37 1 95 "peak 190" 103 49 103 59 parsed_2m37 1 96 "peak 307" 104 49 104 59 parsed_2m37 1 97 "peak 308" 105 49 105 59 parsed_2m37 1 98 "peak 62" 106 49 106 59 parsed_2m37 1 99 "peak 310" 107 49 107 59 parsed_2m37 1 100 "peak 218" 108 49 108 59 parsed_2m37 1 101 "peak 217" 109 49 109 59 parsed_2m37 1 102 "peak 412" 110 49 110 59 parsed_2m37 1 103 "peak 424" 111 49 111 59 parsed_2m37 1 104 "peak 477" 112 49 112 59 parsed_2m37 1 105 "peak 423" 113 49 113 59 parsed_2m37 1 106 "peak 439" 114 49 114 59 parsed_2m37 1 107 "peak 336" 115 49 115 59 parsed_2m37 1 108 "peak 134" 116 49 116 59 parsed_2m37 1 109 "peak 33" 117 49 117 59 parsed_2m37 1 110 "peak 34" 118 49 118 59 parsed_2m37 1 111 "peak 479" 119 49 119 59 parsed_2m37 1 112 "peak 121" 120 49 120 59 parsed_2m37 1 113 "peak 327" 121 49 121 59 parsed_2m37 1 114 "peak 138" 122 49 122 59 parsed_2m37 1 115 "peak 137" 123 49 123 59 parsed_2m37 1 116 "peak 17" 124 49 124 59 parsed_2m37 1 117 "peak 87" 125 49 125 59 parsed_2m37 1 118 "peak 88" 126 49 126 59 parsed_2m37 1 119 "peak 95" 127 49 127 59 parsed_2m37 1 120 "peak 18" 128 49 128 59 parsed_2m37 1 121 "peak 403" 129 49 129 59 parsed_2m37 1 122 "peak 328" 130 49 130 59 parsed_2m37 1 123 "peak 247" 131 49 131 59 parsed_2m37 1 124 "peak 36" 132 49 132 59 parsed_2m37 1 125 "peak 344" 133 49 133 59 parsed_2m37 1 126 "peak 35" 134 49 134 59 parsed_2m37 1 127 "peak 124" 135 49 135 59 parsed_2m37 1 128 "peak 19" 136 49 136 59 parsed_2m37 1 129 "peak 20" 137 49 137 59 parsed_2m37 1 130 "peak 21" 138 49 138 59 parsed_2m37 1 131 "peak 443" 139 49 139 59 parsed_2m37 1 132 "peak 68" 140 49 140 59 parsed_2m37 1 133 "peak 69" 141 49 141 59 parsed_2m37 1 134 "peak 147" 142 49 142 59 parsed_2m37 1 135 "peak 148" 143 49 143 59 parsed_2m37 1 136 "peak 150" 144 49 144 59 parsed_2m37 1 137 "peak 50" 145 49 145 59 parsed_2m37 1 138 "peak 52" 146 49 146 59 parsed_2m37 1 139 "peak 298" 147 49 147 59 parsed_2m37 1 140 "peak 70" 148 49 148 59 parsed_2m37 1 141 "peak 71" 149 49 149 59 parsed_2m37 1 142 "peak 113" 150 49 150 59 parsed_2m37 1 143 "peak 445" 151 49 151 59 parsed_2m37 1 144 "peak 115" 152 49 152 59 parsed_2m37 1 145 "peak 117" 153 49 153 59 parsed_2m37 1 146 "peak 9" 154 49 154 59 parsed_2m37 1 147 "peak 221" 155 49 155 59 parsed_2m37 1 148 "peak 226" 156 49 156 59 parsed_2m37 1 149 "peak 6" 157 49 157 59 parsed_2m37 1 150 "peak 256" 158 49 158 59 parsed_2m37 1 151 "peak 230" 159 49 159 59 parsed_2m37 1 152 "peak 323" 160 49 160 59 parsed_2m37 1 153 "peak 10" 161 49 161 59 parsed_2m37 1 154 "peak 13" 162 49 162 59 parsed_2m37 1 155 "peak 14" 163 49 163 59 parsed_2m37 1 156 "peak 468" 164 49 164 59 parsed_2m37 1 157 "peak 90" 165 49 165 59 parsed_2m37 1 158 "peak 260" 166 49 166 59 parsed_2m37 1 159 "peak 261" 167 49 167 59 parsed_2m37 1 160 "peak 466" 168 49 168 59 parsed_2m37 1 161 "peak 484" 169 49 169 59 parsed_2m37 1 162 "peak 167" 170 49 170 59 parsed_2m37 1 163 "peak 248" 171 49 171 59 parsed_2m37 1 164 "peak 132" 172 49 172 59 parsed_2m37 1 165 "peak 133" 173 49 173 59 parsed_2m37 1 166 "peak 31" 174 49 174 59 parsed_2m37 1 167 "peak 32" 175 49 175 59 parsed_2m37 1 168 "peak 142" 176 49 176 59 parsed_2m37 1 169 "peak 348" 177 49 177 59 parsed_2m37 1 170 "peak 42" 178 49 178 59 parsed_2m37 1 171 "peak 44" 179 49 179 59 parsed_2m37 1 172 "peak 219" 180 49 180 59 parsed_2m37 1 173 "peak 489" 181 49 181 59 parsed_2m37 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2m37 _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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 1 GLY . . . . . . . . . . . . . parsed_2m37 1 2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 2 LEU . . . . . . . . . . . . . parsed_2m37 1 3 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 2 LEU . . . . . . . . . . . . . parsed_2m37 1 4 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 2 LEU . . . . . . . . . . . . . parsed_2m37 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -95.0 . . 3 SER . . . . . . . . . . . . . parsed_2m37 1 6 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 3 SER . . . . . . . . . . . . . parsed_2m37 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -90.0 . . 4 GLN . . . . . . . . . . . . . parsed_2m37 1 8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 75.0 . . 4 GLN . . . . . . . . . . . . . parsed_2m37 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -65.0 . . 5 GLY . . . . . . . . . . . . . parsed_2m37 1 10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 6 VAL . . . . . . . . . . . . . parsed_2m37 1 11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -15.0 . . 6 VAL . . . . . . . . . . . . . parsed_2m37 1 12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -85.0 . . 7 GLU . . . . . . . . . . . . . parsed_2m37 1 13 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 75.0 . . 7 GLU . . . . . . . . . . . . . parsed_2m37 1 14 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 7 GLU . . . . . . . . . . . . . parsed_2m37 1 15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 9 ASPP . . . . . . . . . . . . . parsed_2m37 1 16 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 9 ASPP . . . . . . . . . . . . . parsed_2m37 1 17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 10 ILE . . . . . . . . . . . . . parsed_2m37 1 18 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 10 ILE . . . . . . . . . . . . . parsed_2m37 1 19 CHI21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 10 ILE . . . . . . . . . . . . . parsed_2m37 1 20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 11 GLY . . . . . . . . . . . . . parsed_2m37 1 21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 12 GLN . . . . . . . . . . . . . parsed_2m37 1 22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 13 THR . . . . . . . . . . . . . parsed_2m37 1 23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 13 THR . . . . . . . . . . . . . parsed_2m37 1 24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 14 TYR . . . . . . . . . . . . . parsed_2m37 1 25 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 14 TYR . . . . . . . . . . . . . parsed_2m37 1 26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 15 PHE . . . . . . . . . . . . . parsed_2m37 1 27 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -45.0 . . 15 PHE . . . . . . . . . . . . . parsed_2m37 1 28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -60.0 . . 16 GLU . . . . . . . . . . . . . parsed_2m37 1 29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 17 GLU . . . . . . . . . . . . . parsed_2m37 1 30 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 75.0 . . 17 GLU . . . . . . . . . . . . . parsed_2m37 1 31 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165.0 195.0 . . 17 GLU . . . . . . . . . . . . . parsed_2m37 1 32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -70.0 . . 18 SER . . . . . . . . . . . . . parsed_2m37 1 33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -75.0 . . 19 ARG . . . . . . . . . . . . . parsed_2m37 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 "Astexin 1 19mer in H2O/D2O (9:1) at 283 K" 1 1 1 43 parsed_2m37 1 2 "Dihedral Angle Constraints" 2 1 2 28 parsed_2m37 1 3 "Based on DQF-COSY and NOESY Spectra" 3 1 3 37 parsed_2m37 1 4 "From 3J Coupling Constants and" 4 1 4 32 parsed_2m37 1 5 "Stereo Specific Assignments" 5 1 5 29 parsed_2m37 1 stop_ save_
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