NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | item_count |
37459 | 1pmc | cing | recoord | 2-parsed | STAR | entry | full | 216 |
data_1pmc_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1pmc _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_1pmc 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1pmc _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 1pmc "Master copy" parsed_1pmc stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1pmc _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 1pmc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pmc 1 1 1pmc.mr . . XPLOR/CNS 2 distance NOE simple 163 parsed_1pmc 1 1 1pmc.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1pmc 1 1 1pmc.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 18 parsed_1pmc 1 1 1pmc.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1pmc 1 1 1pmc.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1pmc 1 1 1pmc.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pmc 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_1pmc _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 PROTEINASE INHIBITOR 17-SEP-95 1PMC *TITLE PROTEINASE INHIBITOR PMP-C (NMR, 36 STRUCTURES) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PROTEINASE INHIBITOR PMP-C; *COMPND 3 CHAIN: NULL; *COMPND 4 SYNONYM: LMCI II; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: LOCUSTA MIGRATORIA; *SOURCE 4 ORGANISM_COMMON: MIGRATORY LOCUST; *SOURCE 5 ORGAN: BRAIN; *SOURCE 6 TISSUE: HEMOLYMPH AND FAT BODY *KEYWDS CALCIUM CHANNEL BLOCKER *EXPDTA NMR, 36 STRUCTURES *AUTHOR G.MER,H.HIETTER,J.-F.LEFEVRE *REVDAT 1 29-JAN-96 1PMC 0 remarks Distance information for PMP-C remarks NOEs are classified as upper distances remarks Strong NOE : between 1.8 A and 2.7 A remarks Medium NOE : between 1.8 A and 3.5 A remarks Weak NOE : between 1.8 A and 5.0 A remarks ** Intraresidual NOEs ** ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1pmc _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_1pmc 1 2 1 . . . parsed_1pmc 1 3 1 . . . parsed_1pmc 1 4 1 . . . parsed_1pmc 1 5 1 . . . parsed_1pmc 1 6 1 . . . parsed_1pmc 1 7 1 . . . parsed_1pmc 1 8 1 . . . parsed_1pmc 1 9 1 . . . parsed_1pmc 1 10 1 . . . parsed_1pmc 1 11 1 . . . parsed_1pmc 1 12 1 . . . parsed_1pmc 1 13 1 . . . parsed_1pmc 1 14 1 . . . parsed_1pmc 1 15 1 . . . parsed_1pmc 1 16 1 . . . parsed_1pmc 1 17 1 . . . parsed_1pmc 1 18 1 . . . parsed_1pmc 1 19 1 . . . parsed_1pmc 1 20 1 . . . parsed_1pmc 1 21 1 . . . parsed_1pmc 1 22 1 . . . parsed_1pmc 1 23 1 . . . parsed_1pmc 1 24 1 . . . parsed_1pmc 1 25 1 . . . parsed_1pmc 1 26 1 . . . parsed_1pmc 1 27 1 . . . parsed_1pmc 1 28 1 . . . parsed_1pmc 1 29 1 . . . parsed_1pmc 1 30 1 . . . parsed_1pmc 1 31 1 . . . parsed_1pmc 1 32 1 . . . parsed_1pmc 1 33 1 . . . parsed_1pmc 1 34 1 . . . parsed_1pmc 1 35 1 . . . parsed_1pmc 1 36 1 . . . parsed_1pmc 1 37 1 . . . parsed_1pmc 1 38 1 . . . parsed_1pmc 1 39 1 . . . parsed_1pmc 1 40 1 . . . parsed_1pmc 1 41 1 . . . parsed_1pmc 1 42 1 . . . parsed_1pmc 1 43 1 . . . parsed_1pmc 1 44 1 . . . parsed_1pmc 1 45 1 . . . parsed_1pmc 1 46 1 . . . parsed_1pmc 1 47 1 . . . parsed_1pmc 1 48 1 . . . parsed_1pmc 1 49 1 . . . parsed_1pmc 1 50 1 . . . parsed_1pmc 1 51 1 . . . parsed_1pmc 1 52 1 . . . parsed_1pmc 1 53 1 . . . parsed_1pmc 1 54 1 . . . parsed_1pmc 1 55 1 . . . parsed_1pmc 1 56 1 . . . parsed_1pmc 1 57 1 . . . parsed_1pmc 1 58 1 . . . parsed_1pmc 1 59 1 . . . parsed_1pmc 1 60 1 . . . parsed_1pmc 1 61 1 . . . parsed_1pmc 1 62 1 . . . parsed_1pmc 1 63 1 . . . parsed_1pmc 1 64 1 . . . parsed_1pmc 1 65 1 . . . parsed_1pmc 1 66 1 . . . parsed_1pmc 1 67 1 . . . parsed_1pmc 1 68 1 . . . parsed_1pmc 1 69 1 . . . parsed_1pmc 1 70 1 . . . parsed_1pmc 1 71 1 . . . parsed_1pmc 1 72 1 . . . parsed_1pmc 1 73 1 . . . parsed_1pmc 1 74 1 . . . parsed_1pmc 1 75 1 . . . parsed_1pmc 1 76 1 . . . parsed_1pmc 1 77 1 . . . parsed_1pmc 1 78 1 . . . parsed_1pmc 1 79 1 . . . parsed_1pmc 1 80 1 . . . parsed_1pmc 1 81 1 . . . parsed_1pmc 1 82 1 . . . parsed_1pmc 1 83 1 . . . parsed_1pmc 1 84 1 . . . parsed_1pmc 1 85 1 . . . parsed_1pmc 1 86 1 . . . parsed_1pmc 1 87 1 . . . parsed_1pmc 1 88 1 . . . parsed_1pmc 1 89 1 . . . parsed_1pmc 1 90 1 . . . parsed_1pmc 1 91 1 . . . parsed_1pmc 1 92 1 . . . parsed_1pmc 1 93 1 . . . parsed_1pmc 1 94 1 . . . parsed_1pmc 1 95 1 . . . parsed_1pmc 1 96 1 . . . parsed_1pmc 1 97 1 . . . parsed_1pmc 1 98 1 . . . parsed_1pmc 1 99 1 . . . parsed_1pmc 1 100 1 . . . parsed_1pmc 1 101 1 . . . parsed_1pmc 1 102 1 . . . parsed_1pmc 1 103 1 . . . parsed_1pmc 1 104 1 . . . parsed_1pmc 1 105 1 . . . parsed_1pmc 1 106 1 . . . parsed_1pmc 1 107 1 . . . parsed_1pmc 1 108 1 . . . parsed_1pmc 1 109 1 . . . parsed_1pmc 1 110 1 . . . parsed_1pmc 1 111 1 . . . parsed_1pmc 1 112 1 . . . parsed_1pmc 1 113 1 . . . parsed_1pmc 1 114 1 . . . parsed_1pmc 1 115 1 . . . parsed_1pmc 1 116 1 . . . parsed_1pmc 1 117 1 . . . parsed_1pmc 1 118 1 . . . parsed_1pmc 1 119 1 . . . parsed_1pmc 1 120 1 . . . parsed_1pmc 1 121 1 . . . parsed_1pmc 1 122 1 . . . parsed_1pmc 1 123 1 . . . parsed_1pmc 1 124 1 . . . parsed_1pmc 1 125 1 . . . parsed_1pmc 1 126 1 . . . parsed_1pmc 1 127 1 . . . parsed_1pmc 1 128 1 . . . parsed_1pmc 1 129 1 . . . parsed_1pmc 1 130 1 . . . parsed_1pmc 1 131 1 . . . parsed_1pmc 1 132 1 . . . parsed_1pmc 1 133 1 . . . parsed_1pmc 1 134 1 . . . parsed_1pmc 1 135 1 . . . parsed_1pmc 1 136 1 . . . parsed_1pmc 1 137 1 . . . parsed_1pmc 1 138 1 . . . parsed_1pmc 1 139 1 . . . parsed_1pmc 1 140 1 . . . parsed_1pmc 1 141 1 . . . parsed_1pmc 1 142 1 . . . parsed_1pmc 1 143 1 . . . parsed_1pmc 1 144 1 . . . parsed_1pmc 1 145 1 . . . parsed_1pmc 1 146 1 . . . parsed_1pmc 1 147 1 . . . parsed_1pmc 1 148 1 . . . parsed_1pmc 1 149 1 . . . parsed_1pmc 1 150 1 . . . parsed_1pmc 1 151 1 . . . parsed_1pmc 1 152 1 . . . parsed_1pmc 1 153 1 . . . parsed_1pmc 1 154 1 . . . parsed_1pmc 1 155 1 . . . parsed_1pmc 1 156 1 . . . parsed_1pmc 1 157 1 . . . parsed_1pmc 1 158 1 . . . parsed_1pmc 1 159 1 . . . parsed_1pmc 1 160 1 . . . parsed_1pmc 1 161 1 . . . parsed_1pmc 1 162 1 . . . parsed_1pmc 1 163 1 . . . parsed_1pmc 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 . . . . . . . . . 9 . HN parsed_1pmc 1 1 1 2 . . . . . . . . . 9 . HA parsed_1pmc 1 2 1 1 . . . . . . . . . 9 . HN parsed_1pmc 1 2 1 2 . . . . . . . . . 9 . HB parsed_1pmc 1 3 1 1 . . . . . . . . . 10 . HN parsed_1pmc 1 3 1 2 . . . . . . . . . 10 . HA parsed_1pmc 1 4 1 1 . . . . . . . . . 13 . HN parsed_1pmc 1 4 1 2 . . . . . . . . . 13 . HA parsed_1pmc 1 5 1 1 . . . . . . . . . 15 . HD21 parsed_1pmc 1 5 1 2 . . . . . . . . . 15 . HB2 parsed_1pmc 1 6 1 1 . . . . . . . . . 15 . HD22 parsed_1pmc 1 6 1 2 . . . . . . . . . 15 . HB2 parsed_1pmc 1 7 1 1 . . . . . . . . . 16 . HN parsed_1pmc 1 7 1 2 . . . . . . . . . 16 . HB parsed_1pmc 1 8 1 1 . . . . . . . . . 17 . HN parsed_1pmc 1 8 1 2 . . . . . . . . . 17 . HA parsed_1pmc 1 9 1 1 . . . . . . . . . 17 . HN parsed_1pmc 1 9 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1 10 1 1 . . . . . . . . . 17 . HN parsed_1pmc 1 10 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1 11 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1 11 1 2 . . . . . . . . . 19 . HA parsed_1pmc 1 12 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1 12 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1 13 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1 13 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1 14 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1 14 1 2 . . . . . . . . . 20 . HA1 parsed_1pmc 1 15 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1 15 1 2 . . . . . . . . . 20 . HA2 parsed_1pmc 1 16 1 1 . . . . . . . . . 28 . HN parsed_1pmc 1 16 1 2 . . . . . . . . . 28 . HA parsed_1pmc 1 17 1 1 . . . . . . . . . 28 . HN parsed_1pmc 1 17 1 2 . . . . . . . . . 28 . HB1 parsed_1pmc 1 18 1 1 . . . . . . . . . 28 . HN parsed_1pmc 1 18 1 2 . . . . . . . . . 28 . HB2 parsed_1pmc 1 19 1 1 . . . . . . . . . 29 . HN parsed_1pmc 1 19 1 2 . . . . . . . . . 29 . HB parsed_1pmc 1 20 1 1 . . . . . . . . . 32 . HN parsed_1pmc 1 20 1 2 . . . . . . . . . 32 . HB* parsed_1pmc 1 21 1 1 . . . . . . . . . 2 . HA parsed_1pmc 1 21 1 2 . . . . . . . . . 3 . HN parsed_1pmc 1 22 1 1 . . . . . . . . . 3 . HA parsed_1pmc 1 22 1 2 . . . . . . . . . 4 . HN parsed_1pmc 1 23 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1 23 1 2 . . . . . . . . . 7 . HN parsed_1pmc 1 24 1 1 . . . . . . . . . 8 . HA parsed_1pmc 1 24 1 2 . . . . . . . . . 9 . HN parsed_1pmc 1 25 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1 25 1 2 . . . . . . . . . 10 . HN parsed_1pmc 1 26 1 1 . . . . . . . . . 10 . HA parsed_1pmc 1 26 1 2 . . . . . . . . . 11 . HN parsed_1pmc 1 27 1 1 . . . . . . . . . 12 . HA parsed_1pmc 1 27 1 2 . . . . . . . . . 13 . HN parsed_1pmc 1 28 1 1 . . . . . . . . . 13 . HA parsed_1pmc 1 28 1 2 . . . . . . . . . 14 . HN parsed_1pmc 1 29 1 1 . . . . . . . . . 14 . HA parsed_1pmc 1 29 1 2 . . . . . . . . . 15 . HN parsed_1pmc 1 30 1 1 . . . . . . . . . 16 . HA parsed_1pmc 1 30 1 2 . . . . . . . . . 17 . HN parsed_1pmc 1 31 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1 31 1 2 . . . . . . . . . 18 . HN parsed_1pmc 1 32 1 1 . . . . . . . . . 22 . HA parsed_1pmc 1 32 1 2 . . . . . . . . . 23 . HN parsed_1pmc 1 33 1 1 . . . . . . . . . 23 . HA* parsed_1pmc 1 33 1 2 . . . . . . . . . 24 . HN parsed_1pmc 1 34 1 1 . . . . . . . . . 24 . HA parsed_1pmc 1 34 1 2 . . . . . . . . . 25 . HN parsed_1pmc 1 35 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1 35 1 2 . . . . . . . . . 26 . HN parsed_1pmc 1 36 1 1 . . . . . . . . . 26 . HA parsed_1pmc 1 36 1 2 . . . . . . . . . 27 . HN parsed_1pmc 1 37 1 1 . . . . . . . . . 28 . HA parsed_1pmc 1 37 1 2 . . . . . . . . . 29 . HN parsed_1pmc 1 38 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1 38 1 2 . . . . . . . . . 30 . HN parsed_1pmc 1 39 1 1 . . . . . . . . . 30 . HA parsed_1pmc 1 39 1 2 . . . . . . . . . 31 . HN parsed_1pmc 1 40 1 1 . . . . . . . . . 31 . HA parsed_1pmc 1 40 1 2 . . . . . . . . . 32 . HN parsed_1pmc 1 41 1 1 . . . . . . . . . 32 . HA parsed_1pmc 1 41 1 2 . . . . . . . . . 33 . HN parsed_1pmc 1 42 1 1 . . . . . . . . . 34 . HA parsed_1pmc 1 42 1 2 . . . . . . . . . 35 . HN parsed_1pmc 1 43 1 1 . . . . . . . . . 7 . HN parsed_1pmc 1 43 1 2 . . . . . . . . . 8 . HN parsed_1pmc 1 44 1 1 . . . . . . . . . 15 . HN parsed_1pmc 1 44 1 2 . . . . . . . . . 16 . HN parsed_1pmc 1 45 1 1 . . . . . . . . . 21 . HN parsed_1pmc 1 45 1 2 . . . . . . . . . 22 . HN parsed_1pmc 1 46 1 1 . . . . . . . . . 24 . HN parsed_1pmc 1 46 1 2 . . . . . . . . . 25 . HN parsed_1pmc 1 47 1 1 . . . . . . . . . 1 . HB* parsed_1pmc 1 47 1 2 . . . . . . . . . 2 . HN parsed_1pmc 1 48 1 1 . . . . . . . . . 2 . HB parsed_1pmc 1 48 1 2 . . . . . . . . . 3 . HN parsed_1pmc 1 49 1 1 . . . . . . . . . 2 . HG2* parsed_1pmc 1 49 1 2 . . . . . . . . . 3 . HN parsed_1pmc 1 50 1 1 . . . . . . . . . 3 . HB* parsed_1pmc 1 50 1 2 . . . . . . . . . 4 . HN parsed_1pmc 1 51 1 1 . . . . . . . . . 4 . HB1 parsed_1pmc 1 51 1 2 . . . . . . . . . 5 . HN parsed_1pmc 1 52 1 1 . . . . . . . . . 4 . HB2 parsed_1pmc 1 52 1 2 . . . . . . . . . 5 . HN parsed_1pmc 1 53 1 1 . . . . . . . . . 5 . HA parsed_1pmc 1 53 1 2 . . . . . . . . . 6 . HD1 parsed_1pmc 1 54 1 1 . . . . . . . . . 5 . HA parsed_1pmc 1 54 1 2 . . . . . . . . . 6 . HD2 parsed_1pmc 1 55 1 1 . . . . . . . . . 6 . HB1 parsed_1pmc 1 55 1 2 . . . . . . . . . 7 . HN parsed_1pmc 1 56 1 1 . . . . . . . . . 6 . HB2 parsed_1pmc 1 56 1 2 . . . . . . . . . 7 . HN parsed_1pmc 1 57 1 1 . . . . . . . . . 8 . HB* parsed_1pmc 1 57 1 2 . . . . . . . . . 9 . HN parsed_1pmc 1 58 1 1 . . . . . . . . . 9 . HB parsed_1pmc 1 58 1 2 . . . . . . . . . 10 . HN parsed_1pmc 1 59 1 1 . . . . . . . . . 9 . HG2* parsed_1pmc 1 59 1 2 . . . . . . . . . 10 . HN parsed_1pmc 1 60 1 1 . . . . . . . . . 10 . HB* parsed_1pmc 1 60 1 2 . . . . . . . . . 11 . HN parsed_1pmc 1 61 1 1 . . . . . . . . . 11 . HB1 parsed_1pmc 1 61 1 2 . . . . . . . . . 12 . HN parsed_1pmc 1 62 1 1 . . . . . . . . . 11 . HB2 parsed_1pmc 1 62 1 2 . . . . . . . . . 12 . HN parsed_1pmc 1 63 1 1 . . . . . . . . . 12 . HB2 parsed_1pmc 1 63 1 2 . . . . . . . . . 13 . HN parsed_1pmc 1 64 1 1 . . . . . . . . . 13 . HB1 parsed_1pmc 1 64 1 2 . . . . . . . . . 14 . HN parsed_1pmc 1 65 1 1 . . . . . . . . . 13 . HB2 parsed_1pmc 1 65 1 2 . . . . . . . . . 14 . HN parsed_1pmc 1 66 1 1 . . . . . . . . . 15 . HB1 parsed_1pmc 1 66 1 2 . . . . . . . . . 16 . HN parsed_1pmc 1 67 1 1 . . . . . . . . . 15 . HB2 parsed_1pmc 1 67 1 2 . . . . . . . . . 16 . HN parsed_1pmc 1 68 1 1 . . . . . . . . . 16 . HB parsed_1pmc 1 68 1 2 . . . . . . . . . 17 . HN parsed_1pmc 1 69 1 1 . . . . . . . . . 17 . HB1 parsed_1pmc 1 69 1 2 . . . . . . . . . 18 . HN parsed_1pmc 1 70 1 1 . . . . . . . . . 17 . HB2 parsed_1pmc 1 70 1 2 . . . . . . . . . 18 . HN parsed_1pmc 1 71 1 1 . . . . . . . . . 18 . HG1 parsed_1pmc 1 71 1 2 . . . . . . . . . 19 . HN parsed_1pmc 1 72 1 1 . . . . . . . . . 18 . HG2 parsed_1pmc 1 72 1 2 . . . . . . . . . 19 . HN parsed_1pmc 1 73 1 1 . . . . . . . . . 21 . HB* parsed_1pmc 1 73 1 2 . . . . . . . . . 22 . HN parsed_1pmc 1 74 1 1 . . . . . . . . . 25 . HB1 parsed_1pmc 1 74 1 2 . . . . . . . . . 26 . HN parsed_1pmc 1 75 1 1 . . . . . . . . . 25 . HB2 parsed_1pmc 1 75 1 2 . . . . . . . . . 26 . HN parsed_1pmc 1 76 1 1 . . . . . . . . . 27 . HB* parsed_1pmc 1 76 1 2 . . . . . . . . . 28 . HN parsed_1pmc 1 77 1 1 . . . . . . . . . 28 . HB1 parsed_1pmc 1 77 1 2 . . . . . . . . . 29 . HN parsed_1pmc 1 78 1 1 . . . . . . . . . 28 . HB2 parsed_1pmc 1 78 1 2 . . . . . . . . . 29 . HN parsed_1pmc 1 79 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1 79 1 2 . . . . . . . . . 30 . HD1* parsed_1pmc 1 80 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1 80 1 2 . . . . . . . . . 30 . HD2* parsed_1pmc 1 81 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1 81 1 2 . . . . . . . . . 30 . HG parsed_1pmc 1 82 1 1 . . . . . . . . . 29 . HG2* parsed_1pmc 1 82 1 2 . . . . . . . . . 30 . HN parsed_1pmc 1 83 1 1 . . . . . . . . . 31 . HB* parsed_1pmc 1 83 1 2 . . . . . . . . . 32 . HN parsed_1pmc 1 84 1 1 . . . . . . . . . 32 . HB* parsed_1pmc 1 84 1 2 . . . . . . . . . 33 . HN parsed_1pmc 1 85 1 1 . . . . . . . . . 33 . HA parsed_1pmc 1 85 1 2 . . . . . . . . . 34 . HD1 parsed_1pmc 1 86 1 1 . . . . . . . . . 33 . HA parsed_1pmc 1 86 1 2 . . . . . . . . . 34 . HD2 parsed_1pmc 1 87 1 1 . . . . . . . . . 3 . HA parsed_1pmc 1 87 1 2 . . . . . . . . . 23 . HA* parsed_1pmc 1 88 1 1 . . . . . . . . . 3 . HA parsed_1pmc 1 88 1 2 . . . . . . . . . 25 . HA parsed_1pmc 1 89 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1 89 1 2 . . . . . . . . . 18 . HA parsed_1pmc 1 90 1 1 . . . . . . . . . 11 . HA parsed_1pmc 1 90 1 2 . . . . . . . . . 16 . HA parsed_1pmc 1 91 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1 91 1 2 . . . . . . . . . 28 . HA parsed_1pmc 1 92 1 1 . . . . . . . . . 19 . HA parsed_1pmc 1 92 1 2 . . . . . . . . . 26 . HA parsed_1pmc 1 93 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1 93 1 2 . . . . . . . . . 8 . HN parsed_1pmc 1 94 1 1 . . . . . . . . . 18 . HN parsed_1pmc 1 94 1 2 . . . . . . . . . 28 . HA parsed_1pmc 1 95 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1 95 1 2 . . . . . . . . . 9 . HA parsed_1pmc 1 96 1 1 . . . . . . . . . 20 . HA parsed_1pmc 1 96 1 2 . . . . . . . . . 22 . HN parsed_1pmc 1 97 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1 97 1 2 . . . . . . . . . 26 . HA parsed_1pmc 1 98 1 1 . . . . . . . . . 29 . HN parsed_1pmc 1 98 1 2 . . . . . . . . . 17 . HA parsed_1pmc 1 99 1 1 . . . . . . . . . 8 . HN parsed_1pmc 1 99 1 2 . . . . . . . . . 19 . HN parsed_1pmc 1 100 1 1 . . . . . . . . . 18 . HN parsed_1pmc 1 100 1 2 . . . . . . . . . 27 . HN parsed_1pmc 1 101 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1 101 1 2 . . . . . . . . . 25 . HN parsed_1pmc 1 102 1 1 . . . . . . . . . 7 . HN parsed_1pmc 1 102 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1 103 1 1 . . . . . . . . . 7 . HN parsed_1pmc 1 103 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1 104 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1 104 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1 105 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1 105 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1 106 1 1 . . . . . . . . . 8 . HN parsed_1pmc 1 106 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1 107 1 1 . . . . . . . . . 8 . HN parsed_1pmc 1 107 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1 108 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1 108 1 2 . . . . . . . . . 10 . HD* parsed_1pmc 1 109 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1 109 1 2 . . . . . . . . . 18 . HB2 parsed_1pmc 1 110 1 1 . . . . . . . . . 10 . HN parsed_1pmc 1 110 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1 111 1 1 . . . . . . . . . 11 . HA parsed_1pmc 1 111 1 2 . . . . . . . . . 16 . HG2* parsed_1pmc 1 112 1 1 . . . . . . . . . 11 . HN parsed_1pmc 1 112 1 2 . . . . . . . . . 10 . HD* parsed_1pmc 1 113 1 1 . . . . . . . . . 15 . HN parsed_1pmc 1 113 1 2 . . . . . . . . . 13 . HB1 parsed_1pmc 1 114 1 1 . . . . . . . . . 15 . HN parsed_1pmc 1 114 1 2 . . . . . . . . . 13 . HB2 parsed_1pmc 1 115 1 1 . . . . . . . . . 16 . HN parsed_1pmc 1 115 1 2 . . . . . . . . . 29 . HG2* parsed_1pmc 1 116 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1 116 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1 117 1 1 . . . . . . . . . 17 . HB1 parsed_1pmc 1 117 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1 118 1 1 . . . . . . . . . 18 . HA parsed_1pmc 1 118 1 2 . . . . . . . . . 9 . HG2* parsed_1pmc 1 119 1 1 . . . . . . . . . 19 . HA parsed_1pmc 1 119 1 2 . . . . . . . . . 10 . HE* parsed_1pmc 1 120 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1 120 1 2 . . . . . . . . . 10 . HD* parsed_1pmc 1 121 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1 121 1 2 . . . . . . . . . 10 . HE* parsed_1pmc 1 122 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1 122 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1 123 1 1 . . . . . . . . . 23 . HN parsed_1pmc 1 123 1 2 . . . . . . . . . 6 . HB1 parsed_1pmc 1 124 1 1 . . . . . . . . . 23 . HN parsed_1pmc 1 124 1 2 . . . . . . . . . 6 . HG1 parsed_1pmc 1 125 1 1 . . . . . . . . . 23 . HA1 parsed_1pmc 1 125 1 2 . . . . . . . . . 6 . HD1 parsed_1pmc 1 126 1 1 . . . . . . . . . 23 . HA2 parsed_1pmc 1 126 1 2 . . . . . . . . . 6 . HD1 parsed_1pmc 1 127 1 1 . . . . . . . . . 24 . HA parsed_1pmc 1 127 1 2 . . . . . . . . . 2 . HB parsed_1pmc 1 128 1 1 . . . . . . . . . 24 . HA parsed_1pmc 1 128 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1 129 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1 129 1 2 . . . . . . . . . 2 . HG11 parsed_1pmc 1 130 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1 130 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1 131 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1 131 1 2 . . . . . . . . . 2 . HD* parsed_1pmc 1 132 1 1 . . . . . . . . . 25 . HN parsed_1pmc 1 132 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1 133 1 1 . . . . . . . . . 26 . HN parsed_1pmc 1 133 1 2 . . . . . . . . . 2 . HD* parsed_1pmc 1 134 1 1 . . . . . . . . . 29 . HN parsed_1pmc 1 134 1 2 . . . . . . . . . 15 . HB1 parsed_1pmc 1 135 1 1 . . . . . . . . . 30 . HA parsed_1pmc 1 135 1 2 . . . . . . . . . 15 . HB1 parsed_1pmc 1 136 1 1 . . . . . . . . . 30 . HN parsed_1pmc 1 136 1 2 . . . . . . . . . 29 . HG2* parsed_1pmc 1 137 1 1 . . . . . . . . . 31 . HN parsed_1pmc 1 137 1 2 . . . . . . . . . 15 . HD21 parsed_1pmc 1 138 1 1 . . . . . . . . . 31 . HN parsed_1pmc 1 138 1 2 . . . . . . . . . 15 . HD22 parsed_1pmc 1 139 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1 139 1 2 . . . . . . . . . 12 . HB2 parsed_1pmc 1 140 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1 140 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1 141 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1 141 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1 142 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1 142 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1 143 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1 143 1 2 . . . . . . . . . 12 . HB2 parsed_1pmc 1 144 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1 144 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1 145 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1 145 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1 146 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1 146 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1 147 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1 147 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1 148 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1 148 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1 149 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1 149 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1 150 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1 150 1 2 . . . . . . . . . 2 . HD* parsed_1pmc 1 151 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1 151 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1 152 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1 152 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1 153 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1 153 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1 154 1 1 . . . . . . . . . 16 . HB parsed_1pmc 1 154 1 2 . . . . . . . . . 29 . HG2* parsed_1pmc 1 155 1 1 . . . . . . . . . 28 . HB1 parsed_1pmc 1 155 1 2 . . . . . . . . . 30 . HD2* parsed_1pmc 1 156 1 1 . . . . . . . . . 14 . HN parsed_1pmc 1 156 1 2 . . . . . . . . . 33 . HB1 parsed_1pmc 1 157 1 1 . . . . . . . . . 14 . HB1 parsed_1pmc 1 157 1 2 . . . . . . . . . 33 . HB1 parsed_1pmc 1 158 1 1 . . . . . . . . . 14 . HB1 parsed_1pmc 1 158 1 2 . . . . . . . . . 33 . HB2 parsed_1pmc 1 159 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1 159 1 2 . . . . . . . . . 28 . HB2 parsed_1pmc 1 160 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1 160 1 2 . . . . . . . . . 28 . HB1 parsed_1pmc 1 161 1 1 . . . . . . . . . 28 . HA parsed_1pmc 1 161 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1 162 1 1 . . . . . . . . . 33 . HA parsed_1pmc 1 162 1 2 . . . . . . . . . 14 . HB1 parsed_1pmc 1 163 1 1 . . . . . . . . . 33 . HN parsed_1pmc 1 163 1 2 . . . . . . . . . 14 . HB2 parsed_1pmc 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 2 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 3 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 4 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 5 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 6 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 7 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 8 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 9 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 10 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 11 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 12 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 13 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 14 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 15 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 16 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 17 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 18 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 19 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 20 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 21 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 22 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 23 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 24 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 25 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 26 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 27 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 28 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 29 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 30 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 31 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 32 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 33 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 34 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 35 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 36 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 37 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 38 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 39 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 40 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 41 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 42 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 43 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 44 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 45 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 46 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 47 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 48 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 49 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 50 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 51 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 52 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 53 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 54 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 55 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 56 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 57 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 58 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 59 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 60 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 61 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 62 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 63 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 64 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 65 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 66 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 67 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 68 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 69 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 70 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 71 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 72 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 73 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 74 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 75 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 76 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 77 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 78 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 79 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 80 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 81 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 82 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 83 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 84 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 85 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 86 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 87 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 88 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 89 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 90 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 91 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 92 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 93 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 94 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 95 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 96 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 97 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 98 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 99 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 100 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 101 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 102 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 103 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 104 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 105 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 106 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 107 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 108 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 109 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 110 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 111 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 112 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 113 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 114 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 115 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 116 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 117 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 118 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 119 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 120 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 121 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 122 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 123 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 124 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 125 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 126 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 127 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 128 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 129 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 130 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 131 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 132 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 133 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 134 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 135 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 136 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 137 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 138 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 139 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 140 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 141 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 142 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 143 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 144 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 145 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 146 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 147 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 148 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 149 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 150 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 151 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 152 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 153 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1 154 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 155 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 156 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 157 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 158 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 159 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 160 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1 161 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 162 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1 163 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 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 "** Sequential backbone - backbone NOEs **" 23 1 23 52 parsed_1pmc 1 2 "HN - HN" 48 1 48 16 parsed_1pmc 1 3 "** Sequential backbone - side chain NOEs **" 55 1 55 54 parsed_1pmc 1 4 ; ** Long range backbone - backbone NOEs ** HA - HA ; 99 1 101 16 parsed_1pmc 1 5 "HN - HA" 108 1 108 16 parsed_1pmc 1 6 "HN - HN" 115 1 115 16 parsed_1pmc 1 7 "** Long range backbone - side chain NOEs **" 121 1 121 54 parsed_1pmc 1 8 "** Long range side chain - side chain NOEs **" 162 1 162 56 parsed_1pmc 1 9 "** NOEs between cysteines (disulfide bridges) **" 181 1 181 59 parsed_1pmc 1 stop_ save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1pmc _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; remarks H-bond information ; save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1pmc _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _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_1pmc 2 2 1 . . . parsed_1pmc 2 3 1 . . . parsed_1pmc 2 4 1 . . . parsed_1pmc 2 5 1 . . . parsed_1pmc 2 6 1 . . . parsed_1pmc 2 7 1 . . . parsed_1pmc 2 8 1 . . . parsed_1pmc 2 9 1 . . . parsed_1pmc 2 10 1 . . . parsed_1pmc 2 11 1 . . . parsed_1pmc 2 12 1 . . . parsed_1pmc 2 13 1 . . . parsed_1pmc 2 14 1 . . . parsed_1pmc 2 15 1 . . . parsed_1pmc 2 16 1 . . . parsed_1pmc 2 17 1 . . . parsed_1pmc 2 18 1 . . . parsed_1pmc 2 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 . . . . . . . . . 5 . O parsed_1pmc 2 1 1 2 . . . . . . . . . 8 . N parsed_1pmc 2 2 1 1 . . . . . . . . . 5 . O parsed_1pmc 2 2 1 2 . . . . . . . . . 8 . HN parsed_1pmc 2 3 1 1 . . . . . . . . . 8 . O parsed_1pmc 2 3 1 2 . . . . . . . . . 19 . N parsed_1pmc 2 4 1 1 . . . . . . . . . 8 . O parsed_1pmc 2 4 1 2 . . . . . . . . . 19 . HN parsed_1pmc 2 5 1 1 . . . . . . . . . 10 . O parsed_1pmc 2 5 1 2 . . . . . . . . . 17 . N parsed_1pmc 2 6 1 1 . . . . . . . . . 10 . O parsed_1pmc 2 6 1 2 . . . . . . . . . 17 . HN parsed_1pmc 2 7 1 1 . . . . . . . . . 17 . O parsed_1pmc 2 7 1 2 . . . . . . . . . 10 . N parsed_1pmc 2 8 1 1 . . . . . . . . . 17 . O parsed_1pmc 2 8 1 2 . . . . . . . . . 10 . HN parsed_1pmc 2 9 1 1 . . . . . . . . . 16 . O parsed_1pmc 2 9 1 2 . . . . . . . . . 29 . N parsed_1pmc 2 10 1 1 . . . . . . . . . 16 . O parsed_1pmc 2 10 1 2 . . . . . . . . . 29 . HN parsed_1pmc 2 11 1 1 . . . . . . . . . 29 . O parsed_1pmc 2 11 1 2 . . . . . . . . . 16 . N parsed_1pmc 2 12 1 1 . . . . . . . . . 29 . O parsed_1pmc 2 12 1 2 . . . . . . . . . 16 . HN parsed_1pmc 2 13 1 1 . . . . . . . . . 18 . O parsed_1pmc 2 13 1 2 . . . . . . . . . 27 . N parsed_1pmc 2 14 1 1 . . . . . . . . . 18 . O parsed_1pmc 2 14 1 2 . . . . . . . . . 27 . HN parsed_1pmc 2 15 1 1 . . . . . . . . . 27 . O parsed_1pmc 2 15 1 2 . . . . . . . . . 18 . N parsed_1pmc 2 16 1 1 . . . . . . . . . 27 . O parsed_1pmc 2 16 1 2 . . . . . . . . . 18 . HN parsed_1pmc 2 17 1 1 . . . . . . . . . 25 . O parsed_1pmc 2 17 1 2 . . . . . . . . . 20 . N parsed_1pmc 2 18 1 1 . . . . . . . . . 25 . O parsed_1pmc 2 18 1 2 . . . . . . . . . 20 . HN parsed_1pmc 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 2 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 3 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 4 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 5 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 6 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 7 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 8 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 9 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 10 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 11 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 12 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 13 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 14 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 15 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 16 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 17 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2 18 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2 stop_ save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1pmc _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; remarks Angle information ; save_ save_CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1pmc _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1pmc 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -60.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1pmc 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1pmc 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1pmc 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1pmc 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1pmc 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1pmc 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1pmc 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1pmc 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1pmc 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1pmc 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1pmc 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1pmc 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1pmc 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1pmc 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1pmc 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1pmc 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1pmc 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1pmc 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -60.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1pmc 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1pmc 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 14 . n . 14 . ca . 14 . cb . 14 . sg parsed_1pmc 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 25 . n . 25 . ca . 25 . cb . 25 . og parsed_1pmc 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . n . 17 . ca . 17 . cb . 17 . sg parsed_1pmc 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . n . 33 . ca . 33 . cb . 33 . sg parsed_1pmc 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1pmc 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . n . 15 . ca . 15 . cb . 15 . cg parsed_1pmc 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . n . 30 . ca . 30 . cb . 30 . cg parsed_1pmc 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_1pmc 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 28 . n . 28 . ca . 28 . cb . 28 . sg parsed_1pmc 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 29 . n . 29 . ca . 29 . cb . 29 . og1 parsed_1pmc 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg parsed_1pmc 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1pmc 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 19 . n . 19 . ca . 19 . cb . 19 . sg parsed_1pmc 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 11 . n . 11 . ca . 11 . cb . 11 . cg parsed_1pmc 1 stop_ save_
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