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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
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54516 |
3cti ![]() ![]() |
cing | 2-parsed | STAR | entry | full | 79 |
data_3cti_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_3cti _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_3cti 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_3cti _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 3cti "Master copy" parsed_3cti stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_3cti _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 3cti.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_3cti 1 1 3cti.mr . . XPLOR/CNS 2 distance "NOE build-up" simple 0 parsed_3cti 1 1 3cti.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_3cti 1 1 3cti.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_3cti 1 1 3cti.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_3cti 1 1 3cti.mr . . XPLOR/CNS 6 distance NOE simple 79 parsed_3cti 1 1 3cti.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_3cti 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_3cti _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 (TRYPSIN) 27-MAR-91 3CTI *COMPND TRYPSIN INHIBITOR (/NMR$, 6 SIMULATED ANNEALING STRUCTURES) *COMPND 2 (/CMTI$ I) *AUTHOR M.NILGES,J.HABAZETTL,A.T.BRUENGER,T.A.HOLAK *REVDAT 1 15-APR-92 3CTI 0 REMARK REMARK CMTI-I REFINEMENT AGAINST NOESY INTENSITIES REMARK NOESY INTENSITY FILE REMARK M.NILGES,J.HABAZETTL,A.T.BRUENGER,T.A.HOLAK REMARK REMARK THIS FILE CONTAINS ALL USED INTENSITIES IN THE REMARK FORMAT READABLE BY THE EXTENDED VERSION OF X-PLOR REMARK USED IN THE REFINEMENT. THERE ARE THREE SETS OF REMARK INTENSITIES IN THIS FILE. THE FIRST CONTAINS VALUES REMARK FROM A BUILDUP CURVE MEASURED AT FOUR MIXING TIMES REMARK 50, 100, 150, 200 MS, THE SECOND ADDITIONAL VALUES REMARK FROM H2O AND D2O SPECTRA WITH 150 MS MIXING TIME, REMARK THE THIRD INTENSITIES WITH ZERO VALUES FOR NON-EXISTANT REMARK NOES WHICH SEEMED STRUCTURALLY IMPORTANT, FOR ALL FOUR REMARK MIXING TIMES. REMARK ENTRIES FOLLOWING A ! ARE TREATED AS COMMENTS. REMARK FOR UNASSIGNED METHYLENE PROTONS AND OTHER AMBIGUOUS REMARK PEAKS, THE SUM OF THE OBSERVED INTENSITIES IS RESTRAINED REMARK TO THE SUM OF THE CORRESPONDING CALCULATED INTENSITIES. REMARK BUILDUP CURVE (50, 100, 150, 200 MS) IN H2O CLASS 50 CLASS 100 CLASS 150 CLASS 200 ERROR INPUT=PLUSMINUS MODE=ABSOLUTE END ; save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_3cti _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 ; REMARK SOME ADDITIONAL INTENSITIES AT 150 MS FROM H2O AND REMARK D2O SPECTRA WERE USED. REMARK AS INDIVIDUAL ERROR ESTIMATES WERE UNAVAILABLE FOR REMARK THESE ENTRIES, AND OVERALL ERROR ESTIMATE OF 0.3 REMARK WAS USED. CLASS 150 ERROR INPUT=RANGE MODE=ABSOLUTE END ; save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_3cti _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" 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 ; ASSIGN ( resid 3 and name HN ) ( resid 2 and name HN ) 0.29861D+01 0.30000D+00 ; 1 1 2 63 parsed_3cti 1 2 ; ASSIGN ( resid 6 and name HN ) ( resid 5 and name HN ) 0.11842D+01 0.30000D+00 ; 3 1 4 63 parsed_3cti 1 3 ; ASSIGN ( resid 7 and name HN ) ( resid 6 and name HN ) 0.15869D+01 0.30000D+00 ; 5 1 6 63 parsed_3cti 1 4 ; ASSIGN ( resid 8 and name HN ) ( resid 7 and name HN ) 0.25334D+01 0.30000D+00 ; 7 1 8 63 parsed_3cti 1 5 ; ASSIGN ( resid 9 and name HN ) ( resid 8 and name HN ) 0.11842D+01 0.30000D+00 ; 9 1 10 63 parsed_3cti 1 6 ; ASSIGN ( resid 10 and name HN ) ( resid 9 and name HN ) 0.15869D+01 0.30000D+00 ; 11 1 12 63 parsed_3cti 1 7 ; ASSIGN ( resid 11 and name HN ) ( resid 10 and name HN ) 0.68607D+00 0.30000D+00 ; 13 1 14 63 parsed_3cti 1 8 ; ASSIGN ( resid 16 and name HN ) ( resid 15 and name HN ) 0.13489D+02 0.30000D+00 ; 15 1 16 63 parsed_3cti 1 9 ; ASSIGN ( resid 17 and name HN ) ( resid 16 and name HN ) 0.18473D+01 0.30000D+00 ; 17 1 18 63 parsed_3cti 1 10 ; ASSIGN ( resid 18 and name HN ) ( resid 17 and name HN ) 0.13489D+02 0.30000D+00 ; 19 1 20 63 parsed_3cti 1 11 ; ASSIGN ( resid 19 and name HN ) ( resid 18 and name HN ) 0.13489D+02 0.30000D+00 ; 21 1 22 63 parsed_3cti 1 12 ; ASSIGN ( resid 21 and name HN ) ( resid 20 and name HN ) 0.18473D+01 0.30000D+00 ; 23 1 24 63 parsed_3cti 1 13 ; ASSIGN ( resid 22 and name HN ) ( resid 21 and name HN ) 0.78278D+00 0.30000D+00 ; 25 1 26 63 parsed_3cti 1 14 ; ASSIGN ( resid 23 and name HN ) ( resid 22 and name HN ) 0.11842D+01 0.30000D+00 ; 27 1 28 63 parsed_3cti 1 15 ; ASSIGN ( resid 24 and name HN ) ( resid 23 and name HN ) 0.68607D+00 0.30000D+00 ; 29 1 30 63 parsed_3cti 1 16 ; ASSIGN ( resid 28 and name HN ) ( resid 27 and name HN ) 0.78278D+00 0.30000D+00 ; 31 1 32 63 parsed_3cti 1 17 ; ASSIGN ( resid 29 and name HN ) ( resid 28 and name HN ) 0.10283D+01 0.30000D+00 ; 33 1 34 63 parsed_3cti 1 18 ; ASSIGN ( resid 2 and name HN ) ( resid 1 and name HA ) 0.13489D+02 0.30000D+00 ; 35 1 36 63 parsed_3cti 1 19 ; ASSIGN ( resid 11 and name HN ) ( resid 10 and name HA ) 0.34013D+02 0.30000D+00 ; 37 1 38 63 parsed_3cti 1 20 ; ASSIGN ( resid 13 and name HN ) ( resid 12 and name HA ) 0.26624D+02 0.30000D+00 ; 39 1 40 63 parsed_3cti 1 21 ; ASSIGN ( resid 17 and name HN ) ( resid 16 and name HA ) 0.26624D+02 0.30000D+00 ; 41 1 42 63 parsed_3cti 1 22 ; ASSIGN ( resid 20 and name HN ) ( resid 19 and name HA ) 0.25334D+01 0.30000D+00 ; 43 1 44 63 parsed_3cti 1 23 ; ASSIGN ( resid 23 and name HN ) ( resid 22 and name HA ) 0.26624D+02 0.30000D+00 ; 45 1 46 63 parsed_3cti 1 24 ; ASSIGN ( resid 26 and name HN ) ( resid 25 and name HA ) 0.73239D+01 0.30000D+00 ; 47 1 48 63 parsed_3cti 1 25 ; ASSIGN ( resid 16 and name HN ) ( resid 14 and name HA ) 0.35359D+01 0.30000D+00 ; 49 1 50 63 parsed_3cti 1 26 ; ASSIGN ( resid 6 and name HN ) ( resid 5 and name HG# ) 0.42077D+01 0.30000D+00 !!! # ; 51 1 52 70 parsed_3cti 1 27 ; ASSIGN ( resid 28 and name HN ) ( resid 27 and name HD# ) 0.73239D+01 0.30000D+00 !!! # ; 53 1 54 70 parsed_3cti 1 28 ; ASSIGN ( resid 25 and name HN ) ( resid 27 and name HN ) 0.15869D+01 0.30000D+00 ; 55 1 56 63 parsed_3cti 1 29 ; ASSIGN ( resid 12 and name HN ) ( resid 15 and name HN ) 0.29861D+01 0.30000D+00 ; 57 1 58 63 parsed_3cti 1 30 ; ASSIGN ( resid 13 and name HN ) ( resid 15 and name HN ) 0.78278D+00 0.30000D+00 ; 59 1 60 63 parsed_3cti 1 31 ; ASSIGN ( resid 19 and name HN ) ( resid 19 and name HG# ) 0.21041D+02 0.30000D+00 !!! #, b->g ; 61 1 62 76 parsed_3cti 1 32 ; ASSIGN ( resid 5 and name HN ) ( resid 5 and name HG# ) 0.16778D+02 0.30000D+00 !!! # ; 63 1 64 70 parsed_3cti 1 33 ; ASSIGN ( resid 5 and name HN ) ( resid 5 and name HD# ) 0.68607D+00 0.30000D+00 !!! # ; 65 1 66 70 parsed_3cti 1 34 ; ASSIGN ( resid 19 and name HN ) ( resid 19 and name HG# ) 0.13489D+02 0.30000D+00 !!! # ; 67 1 68 70 parsed_3cti 1 35 ; ASSIGN ( resid 20 and name HA ) ( resid 3 and name HB1 ) 0.31949D+01 0.30000D+00 ; 69 1 70 63 parsed_3cti 1 36 ; ASSIGN ( resid 20 and name HA ) ( resid 3 and name HB2 ) 0.29861D+01 0.30000D+00 ; 71 1 72 63 parsed_3cti 1 37 ; ASSIGN ( resid 7 and name HN ) ( resid 7 and name HG ) 0.16778D+02 0.30000D+00 ; 73 1 74 63 parsed_3cti 1 38 ; ASSIGN ( resid 9 and name HA ) ( resid 9 and name HB1 ) 0.26624D+02 0.30000D+00 ; 75 1 76 63 parsed_3cti 1 39 ; ASSIGN ( resid 9 and name HA ) ( resid 9 and name HB2 ) 0.60536D+01 0.30000D+00 ; 77 1 78 63 parsed_3cti 1 40 ; ASSIGN ( resid 10 and name HA ) ( resid 10 and name HB1 ) 0.34013D+02 0.30000D+00 ; 79 1 80 63 parsed_3cti 1 41 ; ASSIGN ( resid 10 and name HA ) ( resid 10 and name HB2 ) 0.34013D+02 0.30000D+00 ; 81 1 82 63 parsed_3cti 1 42 ; ASSIGN ( resid 22 and name HB2 ) ( resid 10 and name HB1 ) 0.60536D+01 0.30000D+00 ; 83 1 84 63 parsed_3cti 1 43 ; ASSIGN ( resid 22 and name HB2 ) ( resid 10 and name HB2 ) 0.21588D+01 0.30000D+00 ; 85 1 86 63 parsed_3cti 1 44 ; ASSIGN ( resid 15 and name HB# ) ( resid 10 and name HB1 ) 0.21041D+02 0.30000D+00 !!! # ; 87 1 88 70 parsed_3cti 1 45 ; ASSIGN ( resid 15 and name HB# ) ( resid 10 and name HB2 ) 0.21041D+02 0.30000D+00 !!! # ; 89 1 90 70 parsed_3cti 1 46 ; ASSIGN ( resid 15 and name HB# ) ( resid 10 and name HA ) 0.13489D+02 0.30000D+00 !!! # ; 91 1 92 70 parsed_3cti 1 47 ; ASSIGN ( resid 12 and name HN ) ( resid 11 and name HE# ) 0.16778D+02 0.30000D+00 !!! # ; 93 1 94 70 parsed_3cti 1 48 ; ASSIGN ( resid 13 and name HN ) ( resid 12 and name HG1 ) 0.89577D+00 0.30000D+00 ; 95 1 96 63 parsed_3cti 1 49 ; ASSIGN ( resid 13 and name HN ) ( resid 12 and name HG2 ) 0.89577D+00 0.30000D+00 ; 97 1 98 63 parsed_3cti 1 50 ; ASSIGN ( resid 13 and name HN ) ( resid 12 and name HD# ) 0.13684D+01 0.30000D+00 !!! # ; 99 1 100 70 parsed_3cti 1 51 ; ASSIGN ( resid 13 and name HB2 ) ( resid 21 and name HA ) 0.78278D+00 0.30000D+00 ; 101 1 102 63 parsed_3cti 1 52 ; ASSIGN ( resid 13 and name HB2 ) ( resid 22 and name HN ) 0.29861D+01 0.30000D+00 ; 103 1 104 63 parsed_3cti 1 53 ; ASSIGN ( resid 13 and name HB1 ) ( resid 21 and name HG11 ) 0.35359D+01 0.30000D+00 ; 105 1 106 63 parsed_3cti 1 54 ; ASSIGN ( resid 13 and name HB2 ) ( resid 21 and name HG11 ) 0.21588D+01 0.30000D+00 ; 107 1 108 63 parsed_3cti 1 55 ; ASSIGN ( resid 13 and name HB1 ) ( resid 21 and name HG21 ) 0.21588D+01 0.30000D+00 ; 109 1 110 63 parsed_3cti 1 56 ; ASSIGN ( resid 13 and name HB2 ) ( resid 21 and name HG21 ) 0.21588D+01 0.30000D+00 ; 111 1 112 63 parsed_3cti 1 57 ; ASSIGN ( resid 14 and name HA ) ( resid 14 and name HB1 ) 0.34013D+02 0.30000D+00 ; 113 1 114 63 parsed_3cti 1 58 ; ASSIGN ( resid 14 and name HA ) ( resid 14 and name HB2 ) 0.34013D+02 0.30000D+00 ; 115 1 116 63 parsed_3cti 1 59 ; ASSIGN ( resid 16 and name HA ) ( resid 16 and name HB1 ) 0.34013D+02 0.30000D+00 ; 117 1 118 63 parsed_3cti 1 60 ; ASSIGN ( resid 16 and name HA ) ( resid 16 and name HB2 ) 0.73239D+01 0.30000D+00 ; 119 1 120 63 parsed_3cti 1 61 ; ASSIGN ( resid 20 and name HA ) ( resid 20 and name HB1 ) 0.60536D+01 0.30000D+00 ; 121 1 122 63 parsed_3cti 1 62 ; ASSIGN ( resid 20 and name HA ) ( resid 20 and name HB2 ) 0.34013D+02 0.30000D+00 ; 123 1 124 63 parsed_3cti 1 63 ; ASSIGN ( resid 28 and name HA ) ( resid 20 and name HB1 ) 0.78278D+00 0.30000D+00 ; 125 1 126 63 parsed_3cti 1 64 ; ASSIGN ( resid 28 and name HA ) ( resid 20 and name HB2 ) 0.18473D+01 0.30000D+00 ; 127 1 128 63 parsed_3cti 1 65 ; ASSIGN ( resid 28 and name HB2 ) ( resid 20 and name HB1 ) 0.73239D+01 0.30000D+00 ; 129 1 130 63 parsed_3cti 1 66 ; ASSIGN ( resid 28 and name HB2 ) ( resid 20 and name HB2 ) 0.16778D+02 0.30000D+00 ; 131 1 132 63 parsed_3cti 1 67 ; ASSIGN ( resid 29 and name HN ) ( resid 20 and name HB1 ) 0.10283D+01 0.30000D+00 ; 133 1 134 63 parsed_3cti 1 68 ; ASSIGN ( resid 21 and name HA ) ( resid 20 and name HB1 ) 0.78278D+00 0.78278D+00 !!! v=0 ; 135 1 136 71 parsed_3cti 1 69 ; ASSIGN ( resid 21 and name HA ) ( resid 20 and name HB2 ) 0.35359D+01 0.35359D+01 !!! v=0 ; 137 1 138 71 parsed_3cti 1 70 ; ASSIGN ( resid 29 and name HN ) ( resid 21 and name HG11 ) 0.10283D+01 0.30000D+00 ; 139 1 140 63 parsed_3cti 1 71 ; ASSIGN ( resid 29 and name HN ) ( resid 21 and name HB ) 0.10283D+01 0.30000D+00 ; 141 1 142 63 parsed_3cti 1 72 ; ASSIGN ( resid 20 and name HB1 ) ( resid 21 and name HG11 ) 0.78278D+00 0.30000D+00 ; 143 1 144 63 parsed_3cti 1 73 ; ASSIGN ( resid 20 and name HB1 ) ( resid 21 and name HG21 ) 0.78278D+00 0.30000D+00 ; 145 1 146 63 parsed_3cti 1 74 ; ASSIGN ( resid 20 and name HB2 ) ( resid 21 and name HG11 ) 0.18473D+01 0.30000D+00 ; 147 1 148 63 parsed_3cti 1 75 ; ASSIGN ( resid 20 and name HB2 ) ( resid 21 and name HG21 ) 0.18473D+01 0.30000D+00 ; 149 1 150 63 parsed_3cti 1 76 ; ASSIGN ( resid 23 and name HN ) ( resid 21 and name HG21 ) 0.13684D+01 0.30000D+00 ; 151 1 152 63 parsed_3cti 1 77 ; ASSIGN ( resid 22 and name HA ) ( resid 22 and name HB2 ) 0.26624D+02 0.30000D+00 ; 153 1 154 63 parsed_3cti 1 78 ; ASSIGN ( resid 22 and name HA ) ( resid 22 and name HB1 ) 0.60536D+01 0.30000D+00 ; 155 1 156 63 parsed_3cti 1 79 ; ASSIGN ( resid 22 and name HB1 ) ( resid 13 and name HA ) 0.35359D+01 0.30000D+00 ; 157 1 158 63 parsed_3cti 1 80 ; ASSIGN ( resid 22 and name HB2 ) ( resid 10 and name HB1 ) 0.60536D+01 0.30000D+00 ; 159 1 160 63 parsed_3cti 1 81 ; ASSIGN ( resid 22 and name HB2 ) ( resid 10 and name HB2 ) 0.21588D+01 0.30000D+00 ; 161 1 162 63 parsed_3cti 1 82 ; ASSIGN ( resid 12 and name HN ) ( resid 22 and name HB1 ) 0.78278D+00 0.78278D+00 !!! v=0 ; 163 1 164 71 parsed_3cti 1 83 ; ASSIGN ( resid 12 and name HN ) ( resid 22 and name HB2 ) 0.78278D+00 0.78278D+00 !!! v=0 ; 165 1 166 71 parsed_3cti 1 84 ; ASSIGN ( resid 11 and name HN ) ( resid 22 and name HB1 ) 0.11842D+01 0.30000D+00 ; 167 1 168 63 parsed_3cti 1 85 ; ASSIGN ( resid 11 and name HN ) ( resid 22 and name HB2 ) 0.11842D+01 0.30000D+00 ; 169 1 170 63 parsed_3cti 1 86 ; ASSIGN ( resid 23 and name HA ) ( resid 23 and name HB1 ) 0.73239D+01 0.30000D+00 ; 171 1 172 63 parsed_3cti 1 87 ; ASSIGN ( resid 23 and name HA ) ( resid 23 and name HB2 ) 0.26624D+02 0.30000D+00 ; 173 1 174 63 parsed_3cti 1 88 ; ASSIGN ( resid 24 and name HN ) ( resid 23 and name HG ) 0.78278D+00 0.30000D+00 ; 175 1 176 63 parsed_3cti 1 89 ; ASSIGN ( resid 23 and name HA ) ( resid 23 and name HG ) 0.60536D+01 0.30000D+00 ; 177 1 178 63 parsed_3cti 1 90 ; ASSIGN ( resid 25 and name HN ) ( resid 23 and name HG ) 0.78278D+00 0.78278D+00 !!! v=0 ; 179 1 180 71 parsed_3cti 1 91 ; ASSIGN ( resid 23 and name HA ) ( resid 23 and name HD11 ) 0.13684D+01 0.30000D+00 ; 181 1 182 63 parsed_3cti 1 92 ; ASSIGN ( resid 23 and name HA ) ( resid 23 and name HD21 ) 0.13489D+02 0.30000D+00 ; 183 1 184 63 parsed_3cti 1 93 ; ASSIGN ( resid 25 and name HN ) ( resid 23 and name HD11 ) 0.78278D+00 0.78278D+00 !!! v=0 ; 185 1 186 71 parsed_3cti 1 94 ; ASSIGN ( resid 25 and name HN ) ( resid 23 and name HD21 ) 0.78278D+00 0.78278D+00 !!! v=0 ; 187 1 188 71 parsed_3cti 1 95 ; ASSIGN ( resid 25 and name HD2 ) ( resid 23 and name HD11 ) 0.35359D+01 0.30000D+00 ; 189 1 190 63 parsed_3cti 1 96 ; ASSIGN ( resid 25 and name HD2 ) ( resid 23 and name HD21 ) 0.78278D+00 0.30000D+00 ; 191 1 192 63 parsed_3cti 1 97 ; ASSIGN ( resid 25 and name HA ) ( resid 25 and name HB1 ) 0.34013D+02 0.30000D+00 ; 193 1 194 63 parsed_3cti 1 98 ; ASSIGN ( resid 25 and name HA ) ( resid 25 and name HB2 ) 0.73239D+01 0.30000D+00 ; 195 1 196 63 parsed_3cti 1 99 ; ASSIGN ( resid 25 and name HD2 ) ( resid 25 and name HB1 ) 0.60536D+01 0.30000D+00 ; 197 1 198 63 parsed_3cti 1 100 ; ASSIGN ( resid 25 and name HD2 ) ( resid 25 and name HB2 ) 0.60536D+01 0.30000D+00 ; 199 1 200 63 parsed_3cti 1 101 ; ASSIGN ( resid 27 and name HE# ) ( resid 25 and name HB1 ) 0.73239D+01 0.30000D+00 !!! # ; 201 1 202 70 parsed_3cti 1 102 ; ASSIGN ( resid 27 and name HE# ) ( resid 25 and name HB2 ) 0.42077D+01 0.30000D+00 !!! # ; 203 1 204 70 parsed_3cti 1 103 ; ASSIGN ( resid 27 and name HD# ) ( resid 27 and name HB1 ) 0.26624D+02 0.30000D+00 !!! # ; 205 1 206 70 parsed_3cti 1 104 ; ASSIGN ( resid 27 and name HD# ) ( resid 27 and name HB2 ) 0.57329D+02 0.30000D+00 !!! # ; 207 1 208 70 parsed_3cti 1 105 ; ASSIGN ( resid 8 and name HE1 ) ( resid 16 and name HA ) 0.42077D+01 0.30000D+00 ; 209 1 210 63 parsed_3cti 1 106 ; ASSIGN ( resid 8 and name HE1 ) ( resid 10 and name HA ) 0.50330D+01 0.30000D+00 ; 211 1 212 63 parsed_3cti 1 107 ; ASSIGN ( resid 8 and name HN ) ( resid 28 and name HN ) 0.18473D+01 0.30000D+00 ; 213 1 214 63 parsed_3cti 1 108 ; ASSIGN ( resid 8 and name HN ) ( resid 27 and name HD# ) 0.42077D+01 0.30000D+00 !!! # ; 215 1 216 70 parsed_3cti 1 109 ; ASSIGN ( resid 22 and name HA ) ( resid 28 and name HA ) 0.26624D+02 0.30000D+00 ; 217 1 218 63 parsed_3cti 1 110 ; ASSIGN ( resid 13 and name HA ) ( resid 21 and name HA ) 0.10928D+02 0.30000D+00 ; 219 1 220 63 parsed_3cti 1 111 ; ASSIGN ( resid 10 and name HN ) ( resid 28 and name HN ) 0.15869D+01 0.30000D+00 ; 221 1 222 63 parsed_3cti 1 112 ; ASSIGN ( resid 27 and name HD# ) ( resid 9 and name HA ) 0.42077D+01 0.30000D+00 !!! # ; 223 1 224 70 parsed_3cti 1 113 ; ASSIGN ( resid 9 and name HN ) ( resid 27 and name HD# ) 0.78278D+00 0.30000D+00 !!! # ; 225 1 226 70 parsed_3cti 1 114 ; ASSIGN ( resid 10 and name HN ) ( resid 27 and name HN ) 0.13684D+01 0.30000D+00 ; 227 1 228 63 parsed_3cti 1 115 ; ASSIGN ( resid 10 and name HN ) ( resid 28 and name HA ) 0.11842D+01 0.11842D+01 !!! v=0 ; 229 1 230 71 parsed_3cti 1 116 ; ASSIGN ( resid 29 and name HN ) ( resid 20 and name HA ) 0.29861D+01 0.30000D+00 ; 231 1 233 63 parsed_3cti 1 117 ; ASSIGN ( resid 3 and name HA ) ( resid 2 and name HG# ) 5.0 1.1 ; 234 1 235 49 parsed_3cti 1 118 ; ASSIGN ( resid 4 and name HD# ) ( resid 2 and name HG# ) 16.6 2.2 ; 236 1 237 48 parsed_3cti 1 119 ; ASSIGN ( resid 4 and name HD# ) ( resid 3 and name HB1 ) 3.1 0.6 ; 238 1 239 48 parsed_3cti 1 120 ; ASSIGN ( resid 4 and name HD# ) ( resid 3 and name HB2 ) 2.2 0.6 ; 240 1 241 48 parsed_3cti 1 121 ; ASSIGN ( resid 4 and name HD# ) ( resid 18 and name HB1 ) 22.0 0.6 ; 242 1 243 48 parsed_3cti 1 122 ; ASSIGN ( resid 6 and name HG21 ) ( resid 8 and name HB# ) 2.4 0.6 ; 244 1 245 50 parsed_3cti 1 123 ; ASSIGN ( resid 25 and name HD2 ) ( resid 7 and name HD# ) 0.21588D+01 0.30000D+00 ; 246 1 247 62 parsed_3cti 1 124 ; ASSIGN ( resid 7 and name HD# ) ( resid 27 and name HB1 ) 0.35359D+01 0.30000D+00 ; 248 1 249 63 parsed_3cti 1 125 ; ASSIGN ( resid 7 and name HD# ) ( resid 27 and name HB2 ) 0.11842D+01 0.30000D+00 ; 250 1 251 63 parsed_3cti 1 126 ; ASSIGN ( resid 8 and name HA ) ( resid 8 and name HB# ) 55.0 0.6 ; 252 1 253 49 parsed_3cti 1 127 ; ASSIGN ( resid 27 and name HE1 ) ( resid 9 and name HG# ) 7.4 0.6 ; 254 1 255 48 parsed_3cti 1 128 ; ASSIGN ( resid 27 and name HD# ) ( resid 9 and name HG# ) 0.29861D+01 0.30000D+00 !!! #1 ; 256 1 257 71 parsed_3cti 1 129 ; ASSIGN ( resid 11 and name HN ) ( resid 11 and name HD# ) 0.78278D+00 0.78278D+00 !!! v=0 ; 258 1 259 71 parsed_3cti 1 130 ; ASSIGN ( resid 12 and name HA ) ( resid 12 and name HB# ) 0.68D+02 0.60000D+00 ; 260 1 261 60 parsed_3cti 1 131 ; ASSIGN ( resid 17 and name HN ) ( resid 17 and name HB# ) 40.1 0.60000D+00 ; 262 1 263 56 parsed_3cti 1 132 ; ASSIGN ( resid 17 and name HN ) ( resid 17 and name HD# ) 42.0 0.60000D+00 ; 264 1 265 55 parsed_3cti 1 133 ; ASSIGN ( resid 20 and name HN ) ( resid 19 and name HB# ) 8.5 0.6 ; 266 1 267 47 parsed_3cti 1 134 ; ASSIGN ( resid 25 and name HN ) ( resid 24 and name HG# ) 2.7 0.6 ; 268 1 269 48 parsed_3cti 1 135 ; ASSIGN ( resid 10 and name HN ) ( resid 26 and name HA# ) 0.42077D+01 0.30000D+00 !!! # ; 270 1 271 70 parsed_3cti 1 136 ; ASSIGN ( resid 29 and name HA# ) ( resid 23 and name HD11 ) 40.1 0.6 ; 272 1 273 48 parsed_3cti 1 stop_ save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_3cti _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 ; REMARK ZERO-INTENSITIES FOR FOUR MIXING TIMES REMARK (50, 100, 150, 200 MS). CLASS 50 CLASS 100 CLASS 150 CLASS 200 ERROR INPUT=UNIFORM VALUE=1.0 MODE=ABSOLUTE END ; save_ save_CNS/XPLOR_distance_constraints_6 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_3cti _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 6 _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_3cti 2 2 1 . . . parsed_3cti 2 3 1 . . . parsed_3cti 2 4 1 . . . parsed_3cti 2 5 1 . . . parsed_3cti 2 6 1 . . . parsed_3cti 2 7 1 . . . parsed_3cti 2 8 1 . . . parsed_3cti 2 9 1 . . . parsed_3cti 2 10 1 . . . parsed_3cti 2 11 1 . . . parsed_3cti 2 12 1 . . . parsed_3cti 2 13 1 . . . parsed_3cti 2 14 1 . . . parsed_3cti 2 15 1 . . . parsed_3cti 2 16 1 . . . parsed_3cti 2 17 1 . . . parsed_3cti 2 18 1 . . . parsed_3cti 2 19 1 . . . parsed_3cti 2 20 1 . . . parsed_3cti 2 21 1 . . . parsed_3cti 2 22 1 . . . parsed_3cti 2 23 1 . . . parsed_3cti 2 24 1 . . . parsed_3cti 2 25 1 . . . parsed_3cti 2 26 1 . . . parsed_3cti 2 27 1 . . . parsed_3cti 2 28 1 . . . parsed_3cti 2 29 1 . . . parsed_3cti 2 30 1 . . . parsed_3cti 2 31 1 . . . parsed_3cti 2 32 1 . . . parsed_3cti 2 33 1 . . . parsed_3cti 2 34 1 . . . parsed_3cti 2 35 1 . . . parsed_3cti 2 36 1 . . . parsed_3cti 2 37 1 . . . parsed_3cti 2 38 1 . . . parsed_3cti 2 39 1 . . . parsed_3cti 2 40 1 . . . parsed_3cti 2 41 1 . . . parsed_3cti 2 42 1 . . . parsed_3cti 2 43 1 . . . parsed_3cti 2 44 1 . . . parsed_3cti 2 45 1 . . . parsed_3cti 2 46 1 . . . parsed_3cti 2 47 1 . . . parsed_3cti 2 48 1 . . . parsed_3cti 2 49 1 . . . parsed_3cti 2 50 1 . . . parsed_3cti 2 51 1 . . . parsed_3cti 2 52 1 . . . parsed_3cti 2 53 1 . . . parsed_3cti 2 54 1 . . . parsed_3cti 2 55 1 . . . parsed_3cti 2 56 1 . . . parsed_3cti 2 57 1 . . . parsed_3cti 2 58 1 . . . parsed_3cti 2 59 1 . . . parsed_3cti 2 60 1 . . . parsed_3cti 2 61 1 . . . parsed_3cti 2 62 1 . . . parsed_3cti 2 63 1 . . . parsed_3cti 2 64 1 . . . parsed_3cti 2 65 1 . . . parsed_3cti 2 66 1 . . . parsed_3cti 2 67 1 . . . parsed_3cti 2 68 1 . . . parsed_3cti 2 69 1 . . . parsed_3cti 2 70 1 . . . parsed_3cti 2 71 1 . . . parsed_3cti 2 72 1 . . . parsed_3cti 2 73 1 . . . parsed_3cti 2 74 1 . . . parsed_3cti 2 75 1 . . . parsed_3cti 2 76 1 . . . parsed_3cti 2 77 1 . . . parsed_3cti 2 78 1 . . . parsed_3cti 2 79 1 . . . parsed_3cti 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 . . . . . . . . . 3 . hn parsed_3cti 2 1 1 2 . . . . . . . . . 18 . hb# parsed_3cti 2 2 1 1 . . . . . . . . . 3 . hn parsed_3cti 2 2 1 2 . . . . . . . . . 19 . hn parsed_3cti 2 3 1 1 . . . . . . . . . 3 . hn parsed_3cti 2 3 1 2 . . . . . . . . . 19 . hb1 parsed_3cti 2 4 1 1 . . . . . . . . . 3 . hn parsed_3cti 2 4 1 2 . . . . . . . . . 19 . hb2 parsed_3cti 2 5 1 1 . . . . . . . . . 5 . hn parsed_3cti 2 5 1 2 . . . . . . . . . 8 . hg1 parsed_3cti 2 6 1 1 . . . . . . . . . 5 . hn parsed_3cti 2 6 1 2 . . . . . . . . . 8 . hg2 parsed_3cti 2 7 1 1 . . . . . . . . . 8 . hn parsed_3cti 2 7 1 2 . . . . . . . . . 6 . hb parsed_3cti 2 8 1 1 . . . . . . . . . 8 . hn parsed_3cti 2 8 1 2 . . . . . . . . . 6 . hg2# parsed_3cti 2 9 1 1 . . . . . . . . . 8 . hn parsed_3cti 2 9 1 2 . . . . . . . . . 26 . ha# parsed_3cti 2 10 1 1 . . . . . . . . . 9 . hn parsed_3cti 2 10 1 2 . . . . . . . . . 25 . hn parsed_3cti 2 11 1 1 . . . . . . . . . 9 . hn parsed_3cti 2 11 1 2 . . . . . . . . . 25 . ha parsed_3cti 2 12 1 1 . . . . . . . . . 9 . hn parsed_3cti 2 12 1 2 . . . . . . . . . 26 . hn parsed_3cti 2 13 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 13 1 2 . . . . . . . . . 13 . hb1 parsed_3cti 2 14 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 14 1 2 . . . . . . . . . 20 . hb1 parsed_3cti 2 15 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 15 1 2 . . . . . . . . . 22 . hn parsed_3cti 2 16 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 16 1 2 . . . . . . . . . 23 . hn parsed_3cti 2 17 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 17 1 2 . . . . . . . . . 23 . hd1# parsed_3cti 2 18 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 18 1 2 . . . . . . . . . 23 . hd2# parsed_3cti 2 19 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 19 1 2 . . . . . . . . . 27 . hb1 parsed_3cti 2 20 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 20 1 2 . . . . . . . . . 27 . hb2 parsed_3cti 2 21 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 21 1 2 . . . . . . . . . 28 . hb1 parsed_3cti 2 22 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 22 1 2 . . . . . . . . . 28 . hb2 parsed_3cti 2 23 1 1 . . . . . . . . . 10 . hn parsed_3cti 2 23 1 2 . . . . . . . . . 29 . hn parsed_3cti 2 24 1 1 . . . . . . . . . 11 . hn parsed_3cti 2 24 1 2 . . . . . . . . . 23 . hd1# parsed_3cti 2 25 1 1 . . . . . . . . . 11 . hn parsed_3cti 2 25 1 2 . . . . . . . . . 23 . hd2# parsed_3cti 2 26 1 1 . . . . . . . . . 12 . hn parsed_3cti 2 26 1 2 . . . . . . . . . 13 . ha parsed_3cti 2 27 1 1 . . . . . . . . . 12 . hn parsed_3cti 2 27 1 2 . . . . . . . . . 22 . hb1 parsed_3cti 2 28 1 1 . . . . . . . . . 12 . hn parsed_3cti 2 28 1 2 . . . . . . . . . 22 . hb2 parsed_3cti 2 29 1 1 . . . . . . . . . 13 . hn parsed_3cti 2 29 1 2 . . . . . . . . . 10 . hb1 parsed_3cti 2 30 1 1 . . . . . . . . . 13 . hn parsed_3cti 2 30 1 2 . . . . . . . . . 10 . hb2 parsed_3cti 2 31 1 1 . . . . . . . . . 14 . hn parsed_3cti 2 31 1 2 . . . . . . . . . 21 . hg1# parsed_3cti 2 32 1 1 . . . . . . . . . 14 . hn parsed_3cti 2 32 1 2 . . . . . . . . . 21 . hg2# parsed_3cti 2 33 1 1 . . . . . . . . . 15 . hn parsed_3cti 2 33 1 2 . . . . . . . . . 17 . hn parsed_3cti 2 34 1 1 . . . . . . . . . 15 . hn parsed_3cti 2 34 1 2 . . . . . . . . . 21 . hb parsed_3cti 2 35 1 1 . . . . . . . . . 15 . hn parsed_3cti 2 35 1 2 . . . . . . . . . 21 . hg1# parsed_3cti 2 36 1 1 . . . . . . . . . 15 . hn parsed_3cti 2 36 1 2 . . . . . . . . . 21 . hg2# parsed_3cti 2 37 1 1 . . . . . . . . . 16 . hn parsed_3cti 2 37 1 2 . . . . . . . . . 21 . hb parsed_3cti 2 38 1 1 . . . . . . . . . 16 . hn parsed_3cti 2 38 1 2 . . . . . . . . . 21 . hg1# parsed_3cti 2 39 1 1 . . . . . . . . . 16 . hn parsed_3cti 2 39 1 2 . . . . . . . . . 21 . hg2# parsed_3cti 2 40 1 1 . . . . . . . . . 18 . hn parsed_3cti 2 40 1 2 . . . . . . . . . 21 . hg1# parsed_3cti 2 41 1 1 . . . . . . . . . 18 . hn parsed_3cti 2 41 1 2 . . . . . . . . . 21 . hg2# parsed_3cti 2 42 1 1 . . . . . . . . . 20 . hn parsed_3cti 2 42 1 2 . . . . . . . . . 3 . ha parsed_3cti 2 43 1 1 . . . . . . . . . 20 . hn parsed_3cti 2 43 1 2 . . . . . . . . . 3 . hb1 parsed_3cti 2 44 1 1 . . . . . . . . . 20 . hn parsed_3cti 2 44 1 2 . . . . . . . . . 3 . hb2 parsed_3cti 2 45 1 1 . . . . . . . . . 20 . hn parsed_3cti 2 45 1 2 . . . . . . . . . 4 . hd# parsed_3cti 2 46 1 1 . . . . . . . . . 21 . hn parsed_3cti 2 46 1 2 . . . . . . . . . 4 . hd# parsed_3cti 2 47 1 1 . . . . . . . . . 21 . hn parsed_3cti 2 47 1 2 . . . . . . . . . 10 . hb2 parsed_3cti 2 48 1 1 . . . . . . . . . 21 . hn parsed_3cti 2 48 1 2 . . . . . . . . . 13 . ha parsed_3cti 2 49 1 1 . . . . . . . . . 21 . hn parsed_3cti 2 49 1 2 . . . . . . . . . 13 . hb1 parsed_3cti 2 50 1 1 . . . . . . . . . 21 . hn parsed_3cti 2 50 1 2 . . . . . . . . . 13 . hb2 parsed_3cti 2 51 1 1 . . . . . . . . . 21 . hn parsed_3cti 2 51 1 2 . . . . . . . . . 28 . hn parsed_3cti 2 52 1 1 . . . . . . . . . 22 . hn parsed_3cti 2 52 1 2 . . . . . . . . . 10 . ha parsed_3cti 2 53 1 1 . . . . . . . . . 22 . hn parsed_3cti 2 53 1 2 . . . . . . . . . 10 . hb1 parsed_3cti 2 54 1 1 . . . . . . . . . 22 . hn parsed_3cti 2 54 1 2 . . . . . . . . . 10 . hb2 parsed_3cti 2 55 1 1 . . . . . . . . . 22 . hn parsed_3cti 2 55 1 2 . . . . . . . . . 28 . hb1 parsed_3cti 2 56 1 1 . . . . . . . . . 22 . hn parsed_3cti 2 56 1 2 . . . . . . . . . 28 . hb2 parsed_3cti 2 57 1 1 . . . . . . . . . 22 . hn parsed_3cti 2 57 1 2 . . . . . . . . . 29 . hn parsed_3cti 2 58 1 1 . . . . . . . . . 23 . hn parsed_3cti 2 58 1 2 . . . . . . . . . 29 . ha# parsed_3cti 2 59 1 1 . . . . . . . . . 23 . hn parsed_3cti 2 59 1 2 . . . . . . . . . 29 . hn parsed_3cti 2 60 1 1 . . . . . . . . . 25 . hn parsed_3cti 2 60 1 2 . . . . . . . . . 8 . hb1 parsed_3cti 2 61 1 1 . . . . . . . . . 25 . hn parsed_3cti 2 61 1 2 . . . . . . . . . 8 . hb2 parsed_3cti 2 62 1 1 . . . . . . . . . 25 . hn parsed_3cti 2 62 1 2 . . . . . . . . . 23 . hd1# parsed_3cti 2 63 1 1 . . . . . . . . . 25 . hn parsed_3cti 2 63 1 2 . . . . . . . . . 23 . hd2# parsed_3cti 2 64 1 1 . . . . . . . . . 25 . hn parsed_3cti 2 64 1 2 . . . . . . . . . 23 . hg parsed_3cti 2 65 1 1 . . . . . . . . . 25 . hn parsed_3cti 2 65 1 2 . . . . . . . . . 29 . ha# parsed_3cti 2 66 1 1 . . . . . . . . . 26 . hn parsed_3cti 2 66 1 2 . . . . . . . . . 6 . hb parsed_3cti 2 67 1 1 . . . . . . . . . 26 . hn parsed_3cti 2 67 1 2 . . . . . . . . . 8 . ha parsed_3cti 2 68 1 1 . . . . . . . . . 28 . hn parsed_3cti 2 68 1 2 . . . . . . . . . 3 . hb1 parsed_3cti 2 69 1 1 . . . . . . . . . 28 . hn parsed_3cti 2 69 1 2 . . . . . . . . . 4 . hd# parsed_3cti 2 70 1 1 . . . . . . . . . 28 . hn parsed_3cti 2 70 1 2 . . . . . . . . . 7 . hb1 parsed_3cti 2 71 1 1 . . . . . . . . . 28 . hn parsed_3cti 2 71 1 2 . . . . . . . . . 20 . hb1 parsed_3cti 2 72 1 1 . . . . . . . . . 28 . hn parsed_3cti 2 72 1 2 . . . . . . . . . 20 . hb2 parsed_3cti 2 73 1 1 . . . . . . . . . 5 . hn parsed_3cti 2 73 1 2 . . . . . . . . . 3 . hn parsed_3cti 2 74 1 1 . . . . . . . . . 19 . hb1 parsed_3cti 2 74 1 2 . . . . . . . . . 3 . hb1 parsed_3cti 2 75 1 1 . . . . . . . . . 19 . hb2 parsed_3cti 2 75 1 2 . . . . . . . . . 3 . hb2 parsed_3cti 2 76 1 1 . . . . . . . . . 20 . hb1 parsed_3cti 2 76 1 2 . . . . . . . . . 3 . hb1 parsed_3cti 2 77 1 1 . . . . . . . . . 20 . hb2 parsed_3cti 2 77 1 2 . . . . . . . . . 3 . hb1 parsed_3cti 2 78 1 1 . . . . . . . . . 20 . hb1 parsed_3cti 2 78 1 2 . . . . . . . . . 3 . hb2 parsed_3cti 2 79 1 1 . . . . . . . . . 20 . hb2 parsed_3cti 2 79 1 2 . . . . . . . . . 3 . hb2 parsed_3cti 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 . . . . . 0.0 0.0 0.0 parsed_3cti 2 2 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 3 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 4 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 5 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 6 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 7 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 8 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 9 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 10 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 11 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 12 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 13 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 14 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 15 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 16 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 17 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 18 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 19 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 20 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 21 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 22 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 23 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 24 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 25 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 26 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 27 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 28 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 29 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 30 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 31 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 32 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 33 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 34 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 35 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 36 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 37 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 38 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 39 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 40 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 41 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 42 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 43 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 44 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 45 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 46 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 47 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 48 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 49 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 50 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 51 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 52 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 53 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 54 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 55 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 56 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 57 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 58 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 59 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 60 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 61 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 62 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 63 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 64 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 65 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 66 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 67 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 68 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 69 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 70 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 71 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 72 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 73 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 74 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 75 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 76 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 77 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 78 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 79 1 . . . . . 0.0 0.0 0.0 parsed_3cti 2 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 0.0 1 65 1 67 parsed_3cti 2 2 0.0 2 64 2 66 parsed_3cti 2 3 0.0 3 65 3 67 parsed_3cti 2 4 0.0 4 65 4 67 parsed_3cti 2 5 0.0 5 64 5 66 parsed_3cti 2 6 0.0 6 64 6 66 parsed_3cti 2 7 0.0 7 63 7 65 parsed_3cti 2 8 0.0 8 65 8 67 parsed_3cti 2 9 0.0 9 65 9 67 parsed_3cti 2 10 0.0 10 64 10 66 parsed_3cti 2 11 0.0 11 64 11 66 parsed_3cti 2 12 0.0 12 64 12 66 parsed_3cti 2 13 0.0 13 66 13 68 parsed_3cti 2 14 0.0 14 66 14 68 parsed_3cti 2 15 0.0 15 65 15 67 parsed_3cti 2 16 0.0 16 65 16 67 parsed_3cti 2 17 0.0 17 67 17 69 parsed_3cti 2 18 0.0 18 67 18 69 parsed_3cti 2 19 0.0 19 66 19 68 parsed_3cti 2 20 0.0 20 66 20 68 parsed_3cti 2 21 0.0 21 66 21 68 parsed_3cti 2 22 0.0 22 66 22 68 parsed_3cti 2 23 0.0 23 65 23 67 parsed_3cti 2 24 0.0 24 67 24 69 parsed_3cti 2 25 0.0 25 67 25 69 parsed_3cti 2 26 0.0 26 65 26 67 parsed_3cti 2 27 0.0 27 66 27 68 parsed_3cti 2 28 0.0 28 66 28 68 parsed_3cti 2 29 0.0 29 66 29 68 parsed_3cti 2 30 0.0 30 66 30 68 parsed_3cti 2 31 0.0 31 67 31 69 parsed_3cti 2 32 0.0 32 67 32 69 parsed_3cti 2 33 0.0 33 65 33 67 parsed_3cti 2 34 0.0 34 65 34 67 parsed_3cti 2 35 0.0 35 67 35 69 parsed_3cti 2 36 0.0 36 67 36 69 parsed_3cti 2 37 0.0 37 65 37 67 parsed_3cti 2 38 0.0 38 67 38 69 parsed_3cti 2 39 0.0 39 67 39 69 parsed_3cti 2 40 0.0 40 67 40 69 parsed_3cti 2 41 0.0 41 67 41 69 parsed_3cti 2 42 0.0 42 64 42 66 parsed_3cti 2 43 0.0 43 65 43 67 parsed_3cti 2 44 0.0 44 65 44 67 parsed_3cti 2 45 0.0 45 65 45 67 parsed_3cti 2 46 0.0 46 65 46 67 parsed_3cti 2 47 0.0 47 66 47 68 parsed_3cti 2 48 0.0 48 65 48 67 parsed_3cti 2 49 0.0 49 66 49 68 parsed_3cti 2 50 0.0 50 66 50 68 parsed_3cti 2 51 0.0 51 65 51 67 parsed_3cti 2 52 0.0 52 65 52 67 parsed_3cti 2 53 0.0 53 66 53 68 parsed_3cti 2 54 0.0 54 66 54 68 parsed_3cti 2 55 0.0 55 66 55 68 parsed_3cti 2 56 0.0 56 66 56 68 parsed_3cti 2 57 0.0 57 65 57 67 parsed_3cti 2 58 0.0 58 66 58 68 parsed_3cti 2 59 0.0 59 65 59 67 parsed_3cti 2 60 0.0 60 65 60 67 parsed_3cti 2 61 0.0 61 65 61 67 parsed_3cti 2 62 0.0 62 67 62 69 parsed_3cti 2 63 0.0 63 67 63 69 parsed_3cti 2 64 0.0 64 65 64 67 parsed_3cti 2 65 0.0 65 66 65 68 parsed_3cti 2 66 0.0 66 64 66 66 parsed_3cti 2 67 0.0 67 64 67 66 parsed_3cti 2 68 0.0 68 65 68 67 parsed_3cti 2 69 0.0 69 65 69 67 parsed_3cti 2 70 0.0 70 65 70 67 parsed_3cti 2 71 0.0 71 66 71 68 parsed_3cti 2 72 0.0 72 66 72 68 parsed_3cti 2 73 0.0 74 63 74 65 parsed_3cti 2 74 0.0 75 66 75 68 parsed_3cti 2 75 0.0 76 66 76 68 parsed_3cti 2 76 0.0 77 66 77 68 parsed_3cti 2 77 0.0 78 66 78 68 parsed_3cti 2 78 0.0 79 66 79 68 parsed_3cti 2 79 0.0 80 66 80 68 parsed_3cti 2 stop_ save_
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