NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
602015 | 2n1p | 25570 | cing | 2-parsed | STAR | entry | full | 209 |
data_2n1p_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2n1p _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_2n1p 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2n1p _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 2n1p "Master copy" parsed_2n1p stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2n1p _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 2n1p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n1p 1 1 2n1p.mr . . XPLOR/CNS 2 distance NOE simple 178 parsed_2n1p 1 1 2n1p.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2n1p 1 1 2n1p.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n1p 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_2n1p _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 VIRAL PROTEIN 15-APR-15 2N1P *TITLE STRUCTURE OF THE C-TERMINAL MEMBRANE DOMAIN OF HCV NS5B PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 5B, NS5B; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: C-TERMINAL DOMAIN (UNP RESIDUES 2982-3011); *COMPND 5 ENGINEERED: YES; *COMPND 6 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; *SOURCE 4 ORGANISM_COMMON: HCV; *SOURCE 5 ORGANISM_TAXID: 11108 *KEYWDS MEMBRANE DOMAIN, NS5B PROTEIN, HEPATITIS C VIRUS, VIRAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 41 *AUTHOR R.MONTSERRET, F.PENIN *REVDAT 1 20-APR-16 2N1P 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n1p _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_2n1p 1 2 1 . . . parsed_2n1p 1 3 1 . . . parsed_2n1p 1 4 1 . . . parsed_2n1p 1 5 1 . . . parsed_2n1p 1 6 1 . . . parsed_2n1p 1 7 1 . . . parsed_2n1p 1 8 1 . . . parsed_2n1p 1 9 1 . . . parsed_2n1p 1 10 1 . . . parsed_2n1p 1 11 1 . . . parsed_2n1p 1 12 1 . . . parsed_2n1p 1 13 1 . . . parsed_2n1p 1 14 1 . . . parsed_2n1p 1 15 1 . . . parsed_2n1p 1 16 1 . . . parsed_2n1p 1 17 1 . . . parsed_2n1p 1 18 1 . . . parsed_2n1p 1 19 1 . . . parsed_2n1p 1 20 1 . . . parsed_2n1p 1 21 1 . . . parsed_2n1p 1 22 1 . . . parsed_2n1p 1 23 1 . . . parsed_2n1p 1 24 1 . . . parsed_2n1p 1 25 1 . . . parsed_2n1p 1 26 1 . . . parsed_2n1p 1 27 1 . . . parsed_2n1p 1 28 1 . . . parsed_2n1p 1 29 1 . . . parsed_2n1p 1 30 1 . . . parsed_2n1p 1 31 1 . . . parsed_2n1p 1 32 1 . . . parsed_2n1p 1 33 1 . . . parsed_2n1p 1 34 1 . . . parsed_2n1p 1 35 1 . . . parsed_2n1p 1 36 1 . . . parsed_2n1p 1 37 1 . . . parsed_2n1p 1 38 1 . . . parsed_2n1p 1 39 1 . . . parsed_2n1p 1 40 1 . . . parsed_2n1p 1 41 1 . . . parsed_2n1p 1 42 1 . . . parsed_2n1p 1 43 1 . . . parsed_2n1p 1 44 1 . . . parsed_2n1p 1 45 1 . . . parsed_2n1p 1 46 1 . . . parsed_2n1p 1 47 1 . . . parsed_2n1p 1 48 1 . . . parsed_2n1p 1 49 1 . . . parsed_2n1p 1 50 1 . . . parsed_2n1p 1 51 1 . . . parsed_2n1p 1 52 1 . . . parsed_2n1p 1 53 1 . . . parsed_2n1p 1 54 1 . . . parsed_2n1p 1 55 1 . . . parsed_2n1p 1 56 1 . . . parsed_2n1p 1 57 1 . . . parsed_2n1p 1 58 1 . . . parsed_2n1p 1 59 1 . . . parsed_2n1p 1 60 1 . . . parsed_2n1p 1 61 1 . . . parsed_2n1p 1 62 1 . . . parsed_2n1p 1 63 1 . . . parsed_2n1p 1 64 1 . . . parsed_2n1p 1 65 1 . . . parsed_2n1p 1 66 1 . . . parsed_2n1p 1 67 1 . . . parsed_2n1p 1 68 1 . . . parsed_2n1p 1 69 1 . . . parsed_2n1p 1 70 1 . . . parsed_2n1p 1 71 1 . . . parsed_2n1p 1 72 1 . . . parsed_2n1p 1 73 1 . . . parsed_2n1p 1 74 1 . . . parsed_2n1p 1 75 1 . . . parsed_2n1p 1 76 1 . . . parsed_2n1p 1 77 1 . . . parsed_2n1p 1 78 1 . . . parsed_2n1p 1 79 1 . . . parsed_2n1p 1 80 1 . . . parsed_2n1p 1 81 1 . . . parsed_2n1p 1 82 1 . . . parsed_2n1p 1 83 1 . . . parsed_2n1p 1 84 1 . . . parsed_2n1p 1 85 1 . . . parsed_2n1p 1 86 1 . . . parsed_2n1p 1 87 1 . . . parsed_2n1p 1 88 1 . . . parsed_2n1p 1 89 1 . . . parsed_2n1p 1 90 1 . . . parsed_2n1p 1 91 1 . . . parsed_2n1p 1 92 1 . . . parsed_2n1p 1 93 1 . . . parsed_2n1p 1 94 1 . . . parsed_2n1p 1 95 1 . . . parsed_2n1p 1 96 1 . . . parsed_2n1p 1 97 1 . . . parsed_2n1p 1 98 1 . . . parsed_2n1p 1 99 1 . . . parsed_2n1p 1 100 1 . . . parsed_2n1p 1 101 1 . . . parsed_2n1p 1 102 1 . . . parsed_2n1p 1 103 1 . . . parsed_2n1p 1 104 1 . . . parsed_2n1p 1 105 1 . . . parsed_2n1p 1 106 1 . . . parsed_2n1p 1 107 1 . . . parsed_2n1p 1 108 1 . . . parsed_2n1p 1 109 1 . . . parsed_2n1p 1 110 1 . . . parsed_2n1p 1 111 1 . . . parsed_2n1p 1 112 1 . . . parsed_2n1p 1 113 1 . . . parsed_2n1p 1 114 1 . . . parsed_2n1p 1 115 1 . . . parsed_2n1p 1 116 1 . . . parsed_2n1p 1 117 1 . . . parsed_2n1p 1 118 1 . . . parsed_2n1p 1 119 1 . . . parsed_2n1p 1 120 1 . . . parsed_2n1p 1 121 1 . . . parsed_2n1p 1 122 1 . . . parsed_2n1p 1 123 1 . . . parsed_2n1p 1 124 1 . . . parsed_2n1p 1 125 1 . . . parsed_2n1p 1 126 1 . . . parsed_2n1p 1 127 1 . . . parsed_2n1p 1 128 1 . . . parsed_2n1p 1 129 1 . . . parsed_2n1p 1 130 1 . . . parsed_2n1p 1 131 1 . . . parsed_2n1p 1 132 1 . . . parsed_2n1p 1 133 1 . . . parsed_2n1p 1 134 1 . . . parsed_2n1p 1 135 1 . . . parsed_2n1p 1 136 1 . . . parsed_2n1p 1 137 1 . . . parsed_2n1p 1 138 1 . . . parsed_2n1p 1 139 1 . . . parsed_2n1p 1 140 1 . . . parsed_2n1p 1 141 1 . . . parsed_2n1p 1 142 1 . . . parsed_2n1p 1 143 1 . . . parsed_2n1p 1 144 1 . . . parsed_2n1p 1 145 1 . . . parsed_2n1p 1 146 1 . . . parsed_2n1p 1 147 1 . . . parsed_2n1p 1 148 1 . . . parsed_2n1p 1 149 1 . . . parsed_2n1p 1 150 1 . . . parsed_2n1p 1 151 1 . . . parsed_2n1p 1 152 1 . . . parsed_2n1p 1 153 1 . . . parsed_2n1p 1 154 1 . . . parsed_2n1p 1 155 1 . . . parsed_2n1p 1 156 1 . . . parsed_2n1p 1 157 1 . . . parsed_2n1p 1 158 1 . . . parsed_2n1p 1 159 1 . . . parsed_2n1p 1 160 1 . . . parsed_2n1p 1 161 1 . . . parsed_2n1p 1 162 1 . . . parsed_2n1p 1 163 1 . . . parsed_2n1p 1 164 1 . . . parsed_2n1p 1 165 1 . . . parsed_2n1p 1 166 1 . . . parsed_2n1p 1 167 1 . . . parsed_2n1p 1 168 1 . . . parsed_2n1p 1 169 1 . . . parsed_2n1p 1 170 1 . . . parsed_2n1p 1 171 1 . . . parsed_2n1p 1 172 1 . . . parsed_2n1p 1 173 1 . . . parsed_2n1p 1 174 1 . . . parsed_2n1p 1 175 1 . . . parsed_2n1p 1 176 1 . . . parsed_2n1p 1 177 1 . . . parsed_2n1p 1 178 1 . . . parsed_2n1p 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 . HA parsed_2n1p 1 1 1 2 . . . . . . . . . 2 . HN parsed_2n1p 1 2 1 1 . . . . . . . . . 1 . HB# parsed_2n1p 1 2 1 2 . . . . . . . . . 2 . HN parsed_2n1p 1 3 1 1 . . . . . . . . . 2 . HN parsed_2n1p 1 3 1 2 . . . . . . . . . 3 . HN parsed_2n1p 1 4 1 1 . . . . . . . . . 2 . HA parsed_2n1p 1 4 1 2 . . . . . . . . . 3 . HN parsed_2n1p 1 5 1 1 . . . . . . . . . 2 . HB# parsed_2n1p 1 5 1 2 . . . . . . . . . 3 . HN parsed_2n1p 1 6 1 1 . . . . . . . . . 3 . HN parsed_2n1p 1 6 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1 7 1 1 . . . . . . . . . 3 . HA parsed_2n1p 1 7 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1 8 1 1 . . . . . . . . . 3 . HB parsed_2n1p 1 8 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1 9 1 1 . . . . . . . . . 3 . HG* parsed_2n1p 1 9 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1 10 1 1 . . . . . . . . . 3 . HA parsed_2n1p 1 10 1 2 . . . . . . . . . 6 . HB# parsed_2n1p 1 11 1 1 . . . . . . . . . 4 . HN parsed_2n1p 1 11 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1 12 1 1 . . . . . . . . . 4 . HA parsed_2n1p 1 12 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1 13 1 1 . . . . . . . . . 4 . HB2 parsed_2n1p 1 13 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1 14 1 1 . . . . . . . . . 4 . HB1 parsed_2n1p 1 14 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1 15 1 1 . . . . . . . . . 5 . HN parsed_2n1p 1 15 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1 16 1 1 . . . . . . . . . 5 . HA parsed_2n1p 1 16 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1 17 1 1 . . . . . . . . . 5 . HB1 parsed_2n1p 1 17 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1 18 1 1 . . . . . . . . . 5 . HB2 parsed_2n1p 1 18 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1 19 1 1 . . . . . . . . . 6 . HN parsed_2n1p 1 19 1 2 . . . . . . . . . 7 . HN parsed_2n1p 1 20 1 1 . . . . . . . . . 6 . HA parsed_2n1p 1 20 1 2 . . . . . . . . . 7 . HN parsed_2n1p 1 21 1 1 . . . . . . . . . 6 . HB# parsed_2n1p 1 21 1 2 . . . . . . . . . 7 . HN parsed_2n1p 1 22 1 1 . . . . . . . . . 7 . HN parsed_2n1p 1 22 1 2 . . . . . . . . . 8 . HD# parsed_2n1p 1 23 1 1 . . . . . . . . . 7 . HA parsed_2n1p 1 23 1 2 . . . . . . . . . 8 . HD# parsed_2n1p 1 24 1 1 . . . . . . . . . 7 . HB1 parsed_2n1p 1 24 1 2 . . . . . . . . . 8 . HD# parsed_2n1p 1 25 1 1 . . . . . . . . . 8 . HD# parsed_2n1p 1 25 1 2 . . . . . . . . . 9 . HN parsed_2n1p 1 26 1 1 . . . . . . . . . 9 . HN parsed_2n1p 1 26 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1 27 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1 27 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1 28 1 1 . . . . . . . . . 9 . HB2 parsed_2n1p 1 28 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1 29 1 1 . . . . . . . . . 9 . HB1 parsed_2n1p 1 29 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1 30 1 1 . . . . . . . . . 9 . HG1 parsed_2n1p 1 30 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1 31 1 1 . . . . . . . . . 9 . HG2 parsed_2n1p 1 31 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1 32 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1 32 1 2 . . . . . . . . . 12 . HB1 parsed_2n1p 1 33 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1 33 1 2 . . . . . . . . . 12 . HB2 parsed_2n1p 1 34 1 1 . . . . . . . . . 10 . HA parsed_2n1p 1 34 1 2 . . . . . . . . . 13 . HB# parsed_2n1p 1 35 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1 35 1 2 . . . . . . . . . 13 . HN parsed_2n1p 1 36 1 1 . . . . . . . . . 12 . HB1 parsed_2n1p 1 36 1 2 . . . . . . . . . 13 . HN parsed_2n1p 1 37 1 1 . . . . . . . . . 12 . HB2 parsed_2n1p 1 37 1 2 . . . . . . . . . 13 . HN parsed_2n1p 1 38 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1 38 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1 39 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1 39 1 2 . . . . . . . . . 15 . HB1 parsed_2n1p 1 40 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1 40 1 2 . . . . . . . . . 15 . HB2 parsed_2n1p 1 41 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1 41 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 42 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1 42 1 2 . . . . . . . . . 14 . HN parsed_2n1p 1 43 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1 43 1 2 . . . . . . . . . 14 . HN parsed_2n1p 1 44 1 1 . . . . . . . . . 13 . HN parsed_2n1p 1 44 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1 45 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1 45 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1 46 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1 46 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 47 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1 47 1 2 . . . . . . . . . 16 . HB1 parsed_2n1p 1 48 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1 48 1 2 . . . . . . . . . 16 . HB2 parsed_2n1p 1 49 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1 49 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 50 1 1 . . . . . . . . . 14 . HN parsed_2n1p 1 50 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1 51 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 51 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1 52 1 1 . . . . . . . . . 14 . HB# parsed_2n1p 1 52 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1 53 1 1 . . . . . . . . . 14 . HN parsed_2n1p 1 53 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 54 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 54 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 55 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 55 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 56 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 56 1 2 . . . . . . . . . 17 . HB1 parsed_2n1p 1 57 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 57 1 2 . . . . . . . . . 17 . HB2 parsed_2n1p 1 58 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 58 1 2 . . . . . . . . . 17 . HG parsed_2n1p 1 59 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 59 1 2 . . . . . . . . . 17 . HD* parsed_2n1p 1 60 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1 60 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1 61 1 1 . . . . . . . . . 15 . HN parsed_2n1p 1 61 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 62 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1 62 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 63 1 1 . . . . . . . . . 15 . HB1 parsed_2n1p 1 63 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 64 1 1 . . . . . . . . . 15 . HB2 parsed_2n1p 1 64 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 65 1 1 . . . . . . . . . 15 . HD* parsed_2n1p 1 65 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1 66 1 1 . . . . . . . . . 15 . HN parsed_2n1p 1 66 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 67 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1 67 1 2 . . . . . . . . . 18 . HB2 parsed_2n1p 1 68 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1 68 1 2 . . . . . . . . . 18 . HB1 parsed_2n1p 1 69 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1 69 1 2 . . . . . . . . . 18 . HD* parsed_2n1p 1 70 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1 70 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1 71 1 1 . . . . . . . . . 16 . HN parsed_2n1p 1 71 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 72 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1 72 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 73 1 1 . . . . . . . . . 16 . HB1 parsed_2n1p 1 73 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 74 1 1 . . . . . . . . . 16 . HB2 parsed_2n1p 1 74 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 75 1 1 . . . . . . . . . 16 . HD* parsed_2n1p 1 75 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1 76 1 1 . . . . . . . . . 16 . HN parsed_2n1p 1 76 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1 77 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1 77 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1 78 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1 78 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1 79 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1 79 1 2 . . . . . . . . . 19 . HB# parsed_2n1p 1 80 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1 80 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1 81 1 1 . . . . . . . . . 17 . HN parsed_2n1p 1 81 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1 82 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1 82 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1 83 1 1 . . . . . . . . . 17 . HB2 parsed_2n1p 1 83 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1 84 1 1 . . . . . . . . . 17 . HD* parsed_2n1p 1 84 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1 85 1 1 . . . . . . . . . 17 . HN parsed_2n1p 1 85 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1 86 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1 86 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1 87 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1 87 1 2 . . . . . . . . . 20 . HB# parsed_2n1p 1 88 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1 88 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1 89 1 1 . . . . . . . . . 18 . HN parsed_2n1p 1 89 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1 90 1 1 . . . . . . . . . 18 . HA parsed_2n1p 1 90 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1 91 1 1 . . . . . . . . . 18 . HB1 parsed_2n1p 1 91 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1 92 1 1 . . . . . . . . . 18 . HB2 parsed_2n1p 1 92 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1 93 1 1 . . . . . . . . . 18 . HN parsed_2n1p 1 93 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1 94 1 1 . . . . . . . . . 18 . HA parsed_2n1p 1 94 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1 95 1 1 . . . . . . . . . 18 . HA parsed_2n1p 1 95 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1 96 1 1 . . . . . . . . . 19 . HN parsed_2n1p 1 96 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1 97 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1 97 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1 98 1 1 . . . . . . . . . 19 . HB# parsed_2n1p 1 98 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1 99 1 1 . . . . . . . . . 19 . HN parsed_2n1p 1 99 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1 100 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1 100 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1 101 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1 101 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1 102 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1 102 1 2 . . . . . . . . . 22 . HB parsed_2n1p 1 103 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1 103 1 2 . . . . . . . . . 22 . HG1# parsed_2n1p 1 104 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1 104 1 2 . . . . . . . . . 22 . HG2# parsed_2n1p 1 105 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1 105 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1 106 1 1 . . . . . . . . . 20 . HN parsed_2n1p 1 106 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1 107 1 1 . . . . . . . . . 20 . HA parsed_2n1p 1 107 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1 108 1 1 . . . . . . . . . 20 . HB# parsed_2n1p 1 108 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1 109 1 1 . . . . . . . . . 20 . HN parsed_2n1p 1 109 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1 110 1 1 . . . . . . . . . 20 . HA parsed_2n1p 1 110 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1 111 1 1 . . . . . . . . . 20 . HA parsed_2n1p 1 111 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1 112 1 1 . . . . . . . . . 21 . HA1 parsed_2n1p 1 112 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1 113 1 1 . . . . . . . . . 21 . HA1 parsed_2n1p 1 113 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1 114 1 1 . . . . . . . . . 21 . HA2 parsed_2n1p 1 114 1 2 . . . . . . . . . 24 . HB parsed_2n1p 1 115 1 1 . . . . . . . . . 22 . HN parsed_2n1p 1 115 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1 116 1 1 . . . . . . . . . 22 . HB parsed_2n1p 1 116 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1 117 1 1 . . . . . . . . . 22 . HG1# parsed_2n1p 1 117 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1 118 1 1 . . . . . . . . . 22 . HG2# parsed_2n1p 1 118 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1 119 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1 119 1 2 . . . . . . . . . 24 . HN parsed_2n1p 1 120 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1 120 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1 121 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1 121 1 2 . . . . . . . . . 25 . HB1 parsed_2n1p 1 122 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1 122 1 2 . . . . . . . . . 25 . HB2 parsed_2n1p 1 123 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1 123 1 2 . . . . . . . . . 24 . HN parsed_2n1p 1 124 1 1 . . . . . . . . . 23 . HN parsed_2n1p 1 124 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1 125 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1 125 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1 126 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1 126 1 2 . . . . . . . . . 26 . HB1 parsed_2n1p 1 127 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1 127 1 2 . . . . . . . . . 26 . HB2 parsed_2n1p 1 128 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1 128 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1 129 1 1 . . . . . . . . . 24 . HN parsed_2n1p 1 129 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1 130 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1 130 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1 131 1 1 . . . . . . . . . 24 . HB parsed_2n1p 1 131 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1 132 1 1 . . . . . . . . . 24 . HN parsed_2n1p 1 132 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1 133 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1 133 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1 134 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1 134 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1 135 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1 135 1 2 . . . . . . . . . 27 . HB1 parsed_2n1p 1 136 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1 136 1 2 . . . . . . . . . 27 . HB2 parsed_2n1p 1 137 1 1 . . . . . . . . . 25 . HN parsed_2n1p 1 137 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1 138 1 1 . . . . . . . . . 25 . HA parsed_2n1p 1 138 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1 139 1 1 . . . . . . . . . 25 . HB2 parsed_2n1p 1 139 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1 140 1 1 . . . . . . . . . 25 . HB1 parsed_2n1p 1 140 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1 141 1 1 . . . . . . . . . 25 . HN parsed_2n1p 1 141 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1 142 1 1 . . . . . . . . . 25 . HA parsed_2n1p 1 142 1 2 . . . . . . . . . 28 . HB1 parsed_2n1p 1 143 1 1 . . . . . . . . . 25 . HA parsed_2n1p 1 143 1 2 . . . . . . . . . 28 . HB2 parsed_2n1p 1 144 1 1 . . . . . . . . . 26 . HN parsed_2n1p 1 144 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1 145 1 1 . . . . . . . . . 26 . HA parsed_2n1p 1 145 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1 146 1 1 . . . . . . . . . 26 . HB2 parsed_2n1p 1 146 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1 147 1 1 . . . . . . . . . 26 . HB1 parsed_2n1p 1 147 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1 148 1 1 . . . . . . . . . 27 . HN parsed_2n1p 1 148 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1 149 1 1 . . . . . . . . . 27 . HN parsed_2n1p 1 149 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1 150 1 1 . . . . . . . . . 27 . HA parsed_2n1p 1 150 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1 151 1 1 . . . . . . . . . 27 . HA parsed_2n1p 1 151 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1 152 1 1 . . . . . . . . . 27 . HB1 parsed_2n1p 1 152 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1 153 1 1 . . . . . . . . . 27 . HB2 parsed_2n1p 1 153 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1 154 1 1 . . . . . . . . . 27 . HB1 parsed_2n1p 1 154 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1 155 1 1 . . . . . . . . . 27 . HB2 parsed_2n1p 1 155 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1 156 1 1 . . . . . . . . . 27 . HA parsed_2n1p 1 156 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 157 1 1 . . . . . . . . . 28 . HD1 parsed_2n1p 1 157 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 158 1 1 . . . . . . . . . 28 . HD2 parsed_2n1p 1 158 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 159 1 1 . . . . . . . . . 28 . HA parsed_2n1p 1 159 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 160 1 1 . . . . . . . . . 28 . HB1 parsed_2n1p 1 160 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 161 1 1 . . . . . . . . . 28 . HB2 parsed_2n1p 1 161 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 162 1 1 . . . . . . . . . 28 . HG1 parsed_2n1p 1 162 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 163 1 1 . . . . . . . . . 28 . HG2 parsed_2n1p 1 163 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1 164 1 1 . . . . . . . . . 29 . HN parsed_2n1p 1 164 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1 165 1 1 . . . . . . . . . 29 . HA parsed_2n1p 1 165 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1 166 1 1 . . . . . . . . . 29 . HB1 parsed_2n1p 1 166 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1 167 1 1 . . . . . . . . . 29 . HB2 parsed_2n1p 1 167 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1 168 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1 168 1 2 . . . . . . . . . 12 . HD1 parsed_2n1p 1 169 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1 169 1 2 . . . . . . . . . 12 . HE1 parsed_2n1p 1 170 1 1 . . . . . . . . . 13 . HD* parsed_2n1p 1 170 1 2 . . . . . . . . . 15 . HD* parsed_2n1p 1 171 1 1 . . . . . . . . . 13 . HD* parsed_2n1p 1 171 1 2 . . . . . . . . . 16 . HD* parsed_2n1p 1 172 1 1 . . . . . . . . . 13 . HD* parsed_2n1p 1 172 1 2 . . . . . . . . . 17 . HD* parsed_2n1p 1 173 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1 173 1 2 . . . . . . . . . 16 . HD1# parsed_2n1p 1 174 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1 174 1 2 . . . . . . . . . 17 . HD1# parsed_2n1p 1 175 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1 175 1 2 . . . . . . . . . 16 . HDB2 parsed_2n1p 1 176 1 1 . . . . . . . . . 25 . HD* parsed_2n1p 1 176 1 2 . . . . . . . . . 26 . HD* parsed_2n1p 1 177 1 1 . . . . . . . . . 25 . HE* parsed_2n1p 1 177 1 2 . . . . . . . . . 26 . HD* parsed_2n1p 1 178 1 1 . . . . . . . . . 25 . HD* parsed_2n1p 1 178 1 2 . . . . . . . . . 28 . HG2 parsed_2n1p 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 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 2 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1 3 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 4 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 5 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 6 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 7 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 8 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 9 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1 10 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 11 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 12 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 13 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 14 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 15 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 16 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 17 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 18 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 19 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 20 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 21 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 22 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 23 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1 24 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 25 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 26 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 27 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 28 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 29 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 30 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 31 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 32 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 33 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 34 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 35 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 36 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 37 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 38 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 39 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 40 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 41 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 42 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 43 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1 44 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 45 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 46 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 47 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 48 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 49 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 50 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 51 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 52 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 53 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 54 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 55 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 56 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 57 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 58 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 59 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1 60 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 61 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 62 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 63 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 64 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 65 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1 66 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 67 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 68 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 69 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1 70 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 71 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 72 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 73 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 74 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 75 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1 76 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 77 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 78 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 79 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1 80 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 81 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 82 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 83 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 84 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1 85 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 86 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 87 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1 88 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 89 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 90 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 91 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 92 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 93 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 94 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 95 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 96 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 97 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 98 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 99 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 100 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 101 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 102 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 103 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 104 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 105 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 106 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 107 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 108 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1 109 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 110 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 111 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 112 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 113 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 114 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 115 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 116 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 117 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 118 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 119 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 120 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 121 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 122 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 123 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 124 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 125 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1 126 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 127 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1 128 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 129 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 130 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 131 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 132 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 133 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 134 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 135 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 136 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 137 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 138 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 139 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 140 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 141 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 142 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 143 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 144 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 145 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 146 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 147 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 148 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 149 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 150 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 151 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 152 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 153 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 154 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 155 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 156 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 157 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 158 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 159 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 160 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 161 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 162 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 163 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 164 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 165 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1 166 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 167 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 168 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1 169 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1 170 1 . . . . . 5.0 1.8 9.9 parsed_2n1p 1 171 1 . . . . . 2.8 1.8 7.5 parsed_2n1p 1 172 1 . . . . . 2.8 1.8 7.5 parsed_2n1p 1 173 1 . . . . . 5.0 1.8 7.5 parsed_2n1p 1 174 1 . . . . . 5.0 1.8 7.5 parsed_2n1p 1 175 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1 176 1 . . . . . 2.8 1.8 7.5 parsed_2n1p 1 177 1 . . . . . 3.9 1.8 8.7 parsed_2n1p 1 178 1 . . . . . 2.8 1.8 5.1 parsed_2n1p 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 ; ============================================================================ > RESTRAINTS FROM ns5bc_noe_1ghz_list.txt > SEQUENCE HSVSHARPRWXWFSLLLLAAGVGIYLLPN > DISTANCE RESTRAINTS class | [lower limit, upper limits[ | distance restraint --------+-------------------------------+--------------------- weak | 1 , 3 | 5.0 medium | 4 , 5 | 3.9 strong | 6 , 20 | 2.8 > CORRECTION FACTOR FOR PSEUDO-ATOMS -CH2 = +1.0 A (ex.: HB# in F) -Haromatic = +2.0 A (ex.: HD* in Y) -CH3# = +1.0 A (ex.: HG2# in I) -CH3* = +2.4 A (ex.: HD* in L) ============================================================================ <========== H1 ==========> ; 1 1 19 29 parsed_2n1p 1 2 "<========== S2 ==========>" 22 1 22 29 parsed_2n1p 1 3 "<========== V3 ==========>" 26 1 26 29 parsed_2n1p 1 4 "<========== S4 ==========>" 32 1 32 29 parsed_2n1p 1 5 "<========== H5 ==========>" 37 1 37 29 parsed_2n1p 1 6 "<========== A6 ==========>" 42 1 42 29 parsed_2n1p 1 7 "<========== R7 ==========>" 46 1 46 29 parsed_2n1p 1 8 "<========== P8 ==========>" 50 1 50 29 parsed_2n1p 1 9 "<========== R9 ==========>" 52 1 52 29 parsed_2n1p 1 10 "<========== W10 ==========>" 61 1 61 30 parsed_2n1p 1 11 ; <========== F11 ==========> <========== W12 ==========> ; 63 1 64 30 parsed_2n1p 1 12 "<========== F13 ==========>" 72 1 72 30 parsed_2n1p 1 13 "<========== S14 ==========>" 81 1 81 30 parsed_2n1p 1 14 "<========== L15 ==========>" 93 1 93 30 parsed_2n1p 1 15 "<========== L16 ==========>" 104 1 104 30 parsed_2n1p 1 16 "<========== L17 ==========>" 115 1 115 30 parsed_2n1p 1 17 "<========== L18 ==========>" 124 1 124 30 parsed_2n1p 1 18 "<========== A19 ==========>" 132 1 132 30 parsed_2n1p 1 19 "<========== A20 ==========>" 143 1 143 30 parsed_2n1p 1 20 "<========== G21 ==========>" 150 1 150 30 parsed_2n1p 1 21 "<========== V22 ==========>" 154 1 154 30 parsed_2n1p 1 22 "<========== G23 ==========>" 163 1 163 30 parsed_2n1p 1 23 "<========== I24 ==========>" 170 1 170 30 parsed_2n1p 1 24 "<========== Y25 ==========>" 179 1 179 30 parsed_2n1p 1 25 "<========== L26 ==========>" 187 1 187 30 parsed_2n1p 1 26 "<========== L27 ==========>" 192 1 192 30 parsed_2n1p 1 27 "<========== P28 ==========>" 202 1 202 30 parsed_2n1p 1 28 "<========== N29 ==========>" 210 1 210 30 parsed_2n1p 1 29 ; <========== R30 ==========> 69 <========== W12 ==========> ; 215 1 217 30 parsed_2n1p 1 30 "<========== F13 ==========>" 220 1 220 30 parsed_2n1p 1 31 "<========== Y25 ==========>" 227 1 227 30 parsed_2n1p 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "restraints dihedral reset" 230 79 230 103 parsed_2n1p 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2n1p _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.7 -40.7 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2n1p 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2n1p 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2n1p 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 -23.8 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2n1p 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.2 -40.2 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2n1p 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.8 -25.8 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2n1p 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.1 -44.1 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n1p 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n1p 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2n1p 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.8 -27.8 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2n1p 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -45.2 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2n1p 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 -24.2 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2n1p 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.8 -40.8 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2n1p 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -21.4 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2n1p 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n1p 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n1p 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2n1p 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2n1p 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -43.7 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2n1p 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.5 -25.5 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2n1p 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.7 -38.7 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2n1p 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -22.5 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2n1p 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2n1p 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -22.3 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2n1p 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.3 -43.3 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2n1p 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.8 -22.6 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2n1p 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2n1p 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -5.6 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2n1p 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -5.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2n1p 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.6 -48.8 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2n1p 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.6 5.2 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2n1p 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 end 64 1 64 3 parsed_2n1p 1 stop_ save_
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