NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
637378 | 6a5i | cing | 2-parsed | STAR | entry | full | 74 |
data_6a5i_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6a5i _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_6a5i 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6a5i _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 6a5i "Master copy" parsed_6a5i stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6a5i _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 6a5i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6a5i 1 1 6a5i.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 54 parsed_6a5i 1 1 6a5i.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 20 parsed_6a5i 1 1 6a5i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6a5i 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_6a5i _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 TOXIN 23-JUN-18 6A5I *TITLE PSEUDOCERASTES PERSICUS TRYPSIN INHIBITOR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRYPSIN INHIBITOR; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOCERASTES PERSICUS; *SOURCE 3 ORGANISM_TAXID: 47769 *KEYWDS KUNITZ-TYPE PROTEIN, DENDROTOXIN, SERINE PROTEASE INHIBITOR, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.AMININASAB *REVDAT 1 01-MAY-19 6A5I 0 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6a5i _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 -38 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6a5i 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6a5i 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134 -54 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6a5i 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152 -42 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6a5i 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -52 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6a5i 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -48 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6a5i 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -41 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6a5i 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -56 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6a5i 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -68 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6a5i 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139 -69 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6a5i 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -95 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6a5i 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144 -64 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6a5i 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -51 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6a5i 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71 -45 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6a5i 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187 -107 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6a5i 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161 -81 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6a5i 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -60 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6a5i 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -58 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_6a5i 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154 -74 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_6a5i 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182 -46 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_6a5i 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148 -62 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_6a5i 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -43 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_6a5i 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -56 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_6a5i 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115 -25 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_6a5i 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_6a5i 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_6a5i 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 10 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_6a5i 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -11 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6a5i 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -1 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6a5i 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47 43 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6a5i 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 187 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6a5i 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117 177 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6a5i 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53 185 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6a5i 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 158 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6a5i 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113 193 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6a5i 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 187 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6a5i 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 159 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6a5i 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91 181 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6a5i 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 159 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6a5i 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84 176 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6a5i 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 -11 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6a5i 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 205 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6a5i 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 177 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6a5i 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 187 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_6a5i 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 179 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_6a5i 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 169 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_6a5i 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 157 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_6a5i 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76 186 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_6a5i 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 1 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_6a5i 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -10 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_6a5i 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 10 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_6a5i 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 -17 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_6a5i 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -14 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_6a5i 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 25 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_6a5i 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 ; phi and psi dihedral restraint file generated by Talos2Aria.py TALOS filename: pred.tab settings: min phiError=None, min psiError=None, errorFactor=2.0 Talos derived phi restraint: ; 2 1 10 31 parsed_6a5i 1 2 "Talos derived phi restraint:" 17 1 17 31 parsed_6a5i 1 3 "Talos derived phi restraint:" 24 1 24 31 parsed_6a5i 1 4 "Talos derived phi restraint:" 31 1 31 31 parsed_6a5i 1 5 "Talos derived phi restraint:" 38 1 38 31 parsed_6a5i 1 6 "Talos derived phi restraint:" 45 1 45 31 parsed_6a5i 1 7 "Talos derived phi restraint:" 52 1 52 31 parsed_6a5i 1 8 "Talos derived phi restraint:" 59 1 59 31 parsed_6a5i 1 9 "Talos derived phi restraint:" 66 1 66 31 parsed_6a5i 1 10 "Talos derived phi restraint:" 73 1 73 31 parsed_6a5i 1 11 "Talos derived phi restraint:" 80 1 80 31 parsed_6a5i 1 12 "Talos derived phi restraint:" 87 1 87 31 parsed_6a5i 1 13 "Talos derived phi restraint:" 94 1 94 31 parsed_6a5i 1 14 "Talos derived phi restraint:" 101 1 101 31 parsed_6a5i 1 15 "Talos derived phi restraint:" 108 1 108 31 parsed_6a5i 1 16 "Talos derived phi restraint:" 115 1 115 31 parsed_6a5i 1 17 "Talos derived phi restraint:" 122 1 122 31 parsed_6a5i 1 18 "Talos derived phi restraint:" 129 1 129 31 parsed_6a5i 1 19 "Talos derived phi restraint:" 136 1 136 31 parsed_6a5i 1 20 "Talos derived phi restraint:" 143 1 143 31 parsed_6a5i 1 21 "Talos derived phi restraint:" 150 1 150 31 parsed_6a5i 1 22 "Talos derived phi restraint:" 157 1 157 31 parsed_6a5i 1 23 "Talos derived phi restraint:" 164 1 164 31 parsed_6a5i 1 24 "Talos derived phi restraint:" 171 1 171 31 parsed_6a5i 1 25 "Talos derived phi restraint:" 178 1 178 31 parsed_6a5i 1 26 "Talos derived phi restraint:" 185 1 185 31 parsed_6a5i 1 27 "Talos derived phi restraint:" 192 1 192 31 parsed_6a5i 1 28 "Talos derived psi restraint:" 199 1 199 31 parsed_6a5i 1 29 "Talos derived psi restraint:" 206 1 206 31 parsed_6a5i 1 30 "Talos derived psi restraint:" 213 1 213 31 parsed_6a5i 1 31 "Talos derived psi restraint:" 220 1 220 31 parsed_6a5i 1 32 "Talos derived psi restraint:" 227 1 227 31 parsed_6a5i 1 33 "Talos derived psi restraint:" 234 1 234 31 parsed_6a5i 1 34 "Talos derived psi restraint:" 241 1 241 31 parsed_6a5i 1 35 "Talos derived psi restraint:" 248 1 248 31 parsed_6a5i 1 36 "Talos derived psi restraint:" 255 1 255 31 parsed_6a5i 1 37 "Talos derived psi restraint:" 262 1 262 31 parsed_6a5i 1 38 "Talos derived psi restraint:" 269 1 269 31 parsed_6a5i 1 39 "Talos derived psi restraint:" 276 1 276 31 parsed_6a5i 1 40 "Talos derived psi restraint:" 283 1 283 31 parsed_6a5i 1 41 "Talos derived psi restraint:" 290 1 290 31 parsed_6a5i 1 42 "Talos derived psi restraint:" 297 1 297 31 parsed_6a5i 1 43 "Talos derived psi restraint:" 304 1 304 31 parsed_6a5i 1 44 "Talos derived psi restraint:" 311 1 311 31 parsed_6a5i 1 45 "Talos derived psi restraint:" 318 1 318 31 parsed_6a5i 1 46 "Talos derived psi restraint:" 325 1 325 31 parsed_6a5i 1 47 "Talos derived psi restraint:" 332 1 332 31 parsed_6a5i 1 48 "Talos derived psi restraint:" 339 1 339 31 parsed_6a5i 1 49 "Talos derived psi restraint:" 346 1 346 31 parsed_6a5i 1 50 "Talos derived psi restraint:" 353 1 353 31 parsed_6a5i 1 51 "Talos derived psi restraint:" 360 1 360 31 parsed_6a5i 1 52 "Talos derived psi restraint:" 367 1 367 31 parsed_6a5i 1 53 "Talos derived psi restraint:" 374 1 374 31 parsed_6a5i 1 54 "Talos derived psi restraint:" 381 1 381 31 parsed_6a5i 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 "# Restraints file 1: PPTITalos.tbl" 1 1 1 34 parsed_6a5i 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6a5i _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _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_6a5i 1 2 1 . . . parsed_6a5i 1 3 1 . . . parsed_6a5i 1 4 1 . . . parsed_6a5i 1 5 1 . . . parsed_6a5i 1 6 1 . . . parsed_6a5i 1 7 1 . . . parsed_6a5i 1 8 1 . . . parsed_6a5i 1 9 1 . . . parsed_6a5i 1 10 1 . . . parsed_6a5i 1 11 1 . . . parsed_6a5i 1 12 1 . . . parsed_6a5i 1 13 1 . . . parsed_6a5i 1 14 1 . . . parsed_6a5i 1 15 1 . . . parsed_6a5i 1 16 1 . . . parsed_6a5i 1 17 1 . . . parsed_6a5i 1 18 1 . . . parsed_6a5i 1 19 1 . . . parsed_6a5i 1 20 1 . . . parsed_6a5i 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 . . . . . . . . " " 20 . HN parsed_6a5i 1 1 1 2 . . . . . . . . " " 37 . O parsed_6a5i 1 2 1 1 . . . . . . . . " " 20 . N parsed_6a5i 1 2 1 2 . . . . . . . . " " 37 . O parsed_6a5i 1 3 1 1 . . . . . . . . " " 37 . HN parsed_6a5i 1 3 1 2 . . . . . . . . " " 20 . O parsed_6a5i 1 4 1 1 . . . . . . . . " " 37 . N parsed_6a5i 1 4 1 2 . . . . . . . . " " 20 . O parsed_6a5i 1 5 1 1 . . . . . . . . " " 22 . HN parsed_6a5i 1 5 1 2 . . . . . . . . " " 35 . O parsed_6a5i 1 6 1 1 . . . . . . . . " " 22 . N parsed_6a5i 1 6 1 2 . . . . . . . . " " 35 . O parsed_6a5i 1 7 1 1 . . . . . . . . " " 35 . HN parsed_6a5i 1 7 1 2 . . . . . . . . " " 22 . O parsed_6a5i 1 8 1 1 . . . . . . . . " " 35 . N parsed_6a5i 1 8 1 2 . . . . . . . . " " 22 . O parsed_6a5i 1 9 1 1 . . . . . . . . " " 24 . HN parsed_6a5i 1 9 1 2 . . . . . . . . " " 33 . O parsed_6a5i 1 10 1 1 . . . . . . . . " " 24 . N parsed_6a5i 1 10 1 2 . . . . . . . . " " 33 . O parsed_6a5i 1 11 1 1 . . . . . . . . " " 33 . HN parsed_6a5i 1 11 1 2 . . . . . . . . " " 24 . O parsed_6a5i 1 12 1 1 . . . . . . . . " " 33 . N parsed_6a5i 1 12 1 2 . . . . . . . . " " 24 . O parsed_6a5i 1 13 1 1 . . . . . . . . " " 26 . HN parsed_6a5i 1 13 1 2 . . . . . . . . " " 31 . O parsed_6a5i 1 14 1 1 . . . . . . . . " " 26 . N parsed_6a5i 1 14 1 2 . . . . . . . . " " 31 . O parsed_6a5i 1 15 1 1 . . . . . . . . " " 31 . HN parsed_6a5i 1 15 1 2 . . . . . . . . " " 26 . O parsed_6a5i 1 16 1 1 . . . . . . . . " " 31 . N parsed_6a5i 1 16 1 2 . . . . . . . . " " 26 . O parsed_6a5i 1 17 1 1 . . . . . . . . " " 55 . HN parsed_6a5i 1 17 1 2 . . . . . . . . " " 51 . O parsed_6a5i 1 18 1 1 . . . . . . . . " " 55 . N parsed_6a5i 1 18 1 2 . . . . . . . . " " 51 . O parsed_6a5i 1 19 1 1 . . . . . . . . " " 56 . HN parsed_6a5i 1 19 1 2 . . . . . . . . " " 52 . O parsed_6a5i 1 20 1 1 . . . . . . . . " " 56 . N parsed_6a5i 1 20 1 2 . . . . . . . . " " 52 . O parsed_6a5i 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 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 2 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 3 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 4 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 5 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 6 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 7 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 8 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 9 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 10 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 11 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 12 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 13 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 14 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 15 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 16 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 17 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 18 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 1 19 1 . . . . . 1.80 1.80 2.30 parsed_6a5i 1 20 1 . . . . . 2.80 2.80 3.30 parsed_6a5i 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 beta-sheet 2 1 2 12 parsed_6a5i 1 2 alpha-helix 28 1 28 13 parsed_6a5i 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 file 2: PPTIhbonds.tbl" 1 1 1 35 parsed_6a5i 1 stop_ save_
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