NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
569260 | 2m3t | 17576 | cing | 2-parsed | STAR | distance | NOE | ambi |
data_2m3t_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2m3t _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_2m3t 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2m3t _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 2m3t "Master copy" parsed_2m3t stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2m3t _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 2m3t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m3t 1 1 2m3t.mr . . XPLOR/CNS 2 distance NOE ambi 0 parsed_2m3t 1 1 2m3t.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_2m3t 1 1 2m3t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2m3t 1 1 2m3t.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2m3t 1 1 2m3t.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2m3t 1 1 2m3t.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m3t 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m3t _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_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 0 1 6 1 6 parsed_2m3t 1 2 0 2 4 2 4 parsed_2m3t 1 3 1 4 6 4 6 parsed_2m3t 1 4 1 5 4 5 4 parsed_2m3t 1 5 2 7 6 7 6 parsed_2m3t 1 6 2 8 4 8 4 parsed_2m3t 1 7 3 10 6 10 6 parsed_2m3t 1 8 1 10 78 10 80 parsed_2m3t 1 9 3 11 4 11 4 parsed_2m3t 1 10 4 13 6 13 6 parsed_2m3t 1 11 4 14 4 14 4 parsed_2m3t 1 12 4 15 4 15 4 parsed_2m3t 1 13 5 17 6 17 6 parsed_2m3t 1 14 5 18 4 18 4 parsed_2m3t 1 15 6 20 6 20 6 parsed_2m3t 1 16 6 21 4 21 4 parsed_2m3t 1 17 7 23 6 23 6 parsed_2m3t 1 18 7 24 4 24 4 parsed_2m3t 1 19 8 26 6 26 6 parsed_2m3t 1 20 8 27 4 27 4 parsed_2m3t 1 21 9 29 6 29 6 parsed_2m3t 1 22 9 30 4 30 4 parsed_2m3t 1 23 10 32 6 32 6 parsed_2m3t 1 24 10 33 4 33 4 parsed_2m3t 1 25 11 35 6 35 6 parsed_2m3t 1 26 11 36 4 36 4 parsed_2m3t 1 27 12 38 6 38 6 parsed_2m3t 1 28 12 39 4 39 4 parsed_2m3t 1 29 13 41 6 41 6 parsed_2m3t 1 30 13 42 4 42 4 parsed_2m3t 1 31 14 44 6 44 6 parsed_2m3t 1 32 14 45 4 45 4 parsed_2m3t 1 33 15 47 6 47 6 parsed_2m3t 1 34 15 48 4 48 4 parsed_2m3t 1 35 16 50 6 50 6 parsed_2m3t 1 36 16 51 4 51 4 parsed_2m3t 1 37 17 53 6 53 6 parsed_2m3t 1 38 17 54 3 54 3 parsed_2m3t 1 39 18 56 6 56 6 parsed_2m3t 1 40 18 57 4 57 4 parsed_2m3t 1 41 19 59 6 59 6 parsed_2m3t 1 42 20 61 6 61 6 parsed_2m3t 1 43 21 63 6 63 6 parsed_2m3t 1 44 22 65 6 65 6 parsed_2m3t 1 45 22 66 4 66 4 parsed_2m3t 1 46 23 68 6 68 6 parsed_2m3t 1 47 23 69 4 69 4 parsed_2m3t 1 48 24 71 6 71 6 parsed_2m3t 1 49 24 72 4 72 4 parsed_2m3t 1 50 25 74 6 74 6 parsed_2m3t 1 51 25 75 4 75 4 parsed_2m3t 1 52 26 77 6 77 6 parsed_2m3t 1 53 26 78 4 78 4 parsed_2m3t 1 54 27 80 6 80 6 parsed_2m3t 1 55 27 81 4 81 4 parsed_2m3t 1 56 28 83 6 83 6 parsed_2m3t 1 57 1 83 79 83 81 parsed_2m3t 1 58 28 84 4 84 4 parsed_2m3t 1 59 29 86 6 86 6 parsed_2m3t 1 60 29 87 4 87 4 parsed_2m3t 1 61 30 89 6 89 6 parsed_2m3t 1 62 2 89 79 89 81 parsed_2m3t 1 63 30 90 4 90 4 parsed_2m3t 1 64 31 92 6 92 6 parsed_2m3t 1 65 32 94 6 94 6 parsed_2m3t 1 66 32 95 4 95 4 parsed_2m3t 1 67 33 97 6 97 6 parsed_2m3t 1 68 33 98 4 98 4 parsed_2m3t 1 69 34 100 6 100 6 parsed_2m3t 1 70 34 101 4 101 4 parsed_2m3t 1 71 35 103 6 103 6 parsed_2m3t 1 72 35 104 4 104 4 parsed_2m3t 1 73 36 106 6 106 6 parsed_2m3t 1 74 36 107 4 107 4 parsed_2m3t 1 75 37 109 6 109 6 parsed_2m3t 1 76 37 110 4 110 4 parsed_2m3t 1 77 38 112 6 112 6 parsed_2m3t 1 78 38 113 4 113 4 parsed_2m3t 1 79 39 115 6 115 6 parsed_2m3t 1 80 39 116 4 116 4 parsed_2m3t 1 81 40 118 6 118 6 parsed_2m3t 1 82 40 119 4 119 4 parsed_2m3t 1 83 41 121 6 121 6 parsed_2m3t 1 84 41 122 4 122 4 parsed_2m3t 1 85 42 124 6 124 6 parsed_2m3t 1 86 43 126 6 126 6 parsed_2m3t 1 87 43 127 4 127 4 parsed_2m3t 1 88 44 129 6 129 6 parsed_2m3t 1 89 44 130 4 130 4 parsed_2m3t 1 90 45 132 6 132 6 parsed_2m3t 1 91 45 133 4 133 4 parsed_2m3t 1 92 46 135 6 135 6 parsed_2m3t 1 93 46 136 4 136 4 parsed_2m3t 1 94 47 138 6 138 6 parsed_2m3t 1 95 2 138 81 138 83 parsed_2m3t 1 96 47 139 4 139 4 parsed_2m3t 1 97 47 140 4 140 4 parsed_2m3t 1 98 47 141 4 141 4 parsed_2m3t 1 99 47 142 4 142 4 parsed_2m3t 1 100 47 143 4 143 4 parsed_2m3t 1 101 48 145 6 145 6 parsed_2m3t 1 102 48 146 4 146 4 parsed_2m3t 1 103 49 148 6 148 6 parsed_2m3t 1 104 2 148 81 148 83 parsed_2m3t 1 105 49 149 4 149 4 parsed_2m3t 1 106 50 151 6 151 6 parsed_2m3t 1 107 50 152 4 152 4 parsed_2m3t 1 108 51 154 6 154 6 parsed_2m3t 1 109 51 155 4 155 4 parsed_2m3t 1 110 52 157 6 157 6 parsed_2m3t 1 111 52 158 4 158 4 parsed_2m3t 1 112 53 160 6 160 6 parsed_2m3t 1 113 53 161 4 161 4 parsed_2m3t 1 114 54 163 6 163 6 parsed_2m3t 1 115 54 164 4 164 4 parsed_2m3t 1 116 55 166 6 166 6 parsed_2m3t 1 117 55 167 4 167 4 parsed_2m3t 1 118 56 169 6 169 6 parsed_2m3t 1 119 56 170 4 170 4 parsed_2m3t 1 120 57 172 6 172 6 parsed_2m3t 1 121 57 173 4 173 4 parsed_2m3t 1 122 58 175 6 175 6 parsed_2m3t 1 123 58 176 4 176 4 parsed_2m3t 1 124 59 178 6 178 6 parsed_2m3t 1 125 59 179 4 179 4 parsed_2m3t 1 126 60 181 6 181 6 parsed_2m3t 1 127 60 182 4 182 4 parsed_2m3t 1 128 61 184 6 184 6 parsed_2m3t 1 129 61 185 4 185 4 parsed_2m3t 1 130 61 186 4 186 4 parsed_2m3t 1 131 62 188 6 188 6 parsed_2m3t 1 132 62 189 4 189 4 parsed_2m3t 1 133 62 190 4 190 4 parsed_2m3t 1 134 63 192 6 192 6 parsed_2m3t 1 135 64 194 6 194 6 parsed_2m3t 1 136 64 195 4 195 4 parsed_2m3t 1 137 65 197 6 197 6 parsed_2m3t 1 138 65 198 4 198 4 parsed_2m3t 1 139 66 200 6 200 6 parsed_2m3t 1 140 66 201 4 201 4 parsed_2m3t 1 141 67 203 6 203 6 parsed_2m3t 1 142 67 204 4 204 4 parsed_2m3t 1 143 68 206 6 206 6 parsed_2m3t 1 144 68 207 4 207 4 parsed_2m3t 1 145 69 209 6 209 6 parsed_2m3t 1 146 69 210 4 210 4 parsed_2m3t 1 147 70 212 6 212 6 parsed_2m3t 1 148 70 213 4 213 4 parsed_2m3t 1 149 71 215 6 215 6 parsed_2m3t 1 150 71 216 4 216 4 parsed_2m3t 1 151 72 218 6 218 6 parsed_2m3t 1 152 72 219 4 219 4 parsed_2m3t 1 153 ; assi {73} ( resid 174 and name HD1) ( resid 175 and name HE) 3.0 1.3 5.37 peak !3 or {73} ( resid 174 and name HD2) ( resid 175 and name HE) assi {74} ( resid 79 and name HD1) ( resid 34 and name HN) 3.0 1.3 5.21 peak !1 or {74} ( resid 79 and name HD2) ( resid 34 and name HN) ; 221 1 225 58 parsed_2m3t 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 ; assi {0} ( resid 19 and name HD1) ( resid 19 and name HE) 3.0 2.5 3.5 peak or {0} ( resid 19 and name HD2) ( resid 19 and name HE) ; 1 1 2 55 parsed_2m3t 1 2 ; assi {1} ( resid 19 and name HG1) ( resid 19 and name HE) 3.0 2.5 3.5 peak or {1} ( resid 19 and name HG2) ( resid 19 and name HE) ; 4 1 5 55 parsed_2m3t 1 3 ; assi {2} ( resid 19 and name HG1) ( resid 19 and name HE) 3.0 2.5 3.5 peak or {2} ( resid 19 and name HG2) ( resid 19 and name HE) ; 7 1 8 55 parsed_2m3t 1 4 ; assi {3} ( resid 34 and name HB1) ( resid 19 and name HE) 3.0 1.3 4.09 peak !1 or {3} ( resid 34 and name HB2) ( resid 19 and name HE) ; 10 1 11 55 parsed_2m3t 1 5 ; assi {4} ( resid 9 and name HG21) ( resid 20 and name HE) 3.0 2.5 3.5 peak or {4} ( resid 9 and name HG22) ( resid 20 and name HE) or {4} ( resid 9 and name HG23) ( resid 20 and name HE) ; 13 1 15 55 parsed_2m3t 1 6 ; assi {5} ( resid 20 and name HB1) ( resid 20 and name HE) 3.0 2.5 3.5 peak or {5} ( resid 20 and name HB2) ( resid 20 and name HE) ; 17 1 18 55 parsed_2m3t 1 7 ; assi {6} ( resid 20 and name HB1) ( resid 20 and name HE) 3.0 2.5 3.5 peak or {6} ( resid 20 and name HB2) ( resid 20 and name HE) ; 20 1 21 55 parsed_2m3t 1 8 ; assi {7} ( resid 20 and name HD1) ( resid 20 and name HE) 3.0 2.5 3.5 peak or {7} ( resid 20 and name HD2) ( resid 20 and name HE) ; 23 1 24 55 parsed_2m3t 1 9 ; assi {8} ( resid 20 and name HD1) ( resid 20 and name HE) 3.0 2.5 3.5 peak or {8} ( resid 20 and name HD2) ( resid 20 and name HE) ; 26 1 27 55 parsed_2m3t 1 10 ; assi {9} ( resid 20 and name HG1) ( resid 20 and name HE) 3.0 2.5 3.5 peak or {9} ( resid 20 and name HG2) ( resid 20 and name HE) ; 29 1 30 55 parsed_2m3t 1 11 ; assi {10} ( resid 20 and name HG1) ( resid 20 and name HE) 3.0 2.5 3.5 peak or {10} ( resid 20 and name HG2) ( resid 20 and name HE) ; 32 1 33 56 parsed_2m3t 1 12 ; assi {11} ( resid 12 and name HB1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or {11} ( resid 12 and name HB2) ( resid 36 and name HE) ; 35 1 36 56 parsed_2m3t 1 13 ; assi {12} ( resid 12 and name HB1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or {12} ( resid 12 and name HB2) ( resid 36 and name HE) ; 38 1 39 56 parsed_2m3t 1 14 ; assi {13} ( resid 36 and name HB1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or {13} ( resid 36 and name HB2) ( resid 36 and name HE) ; 41 1 42 56 parsed_2m3t 1 15 ; assi {14} ( resid 36 and name HB1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or {14} ( resid 36 and name HB2) ( resid 36 and name HE) ; 44 1 45 56 parsed_2m3t 1 16 ; assi {15} ( resid 36 and name HD1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or {15} ( resid 36 and name HD2) ( resid 36 and name HE) ; 47 1 48 56 parsed_2m3t 1 17 ; assi {16} ( resid 36 and name HG1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or {16} ( resid 36 and name HG2) ( resid 36 and name HE) ; 50 1 51 56 parsed_2m3t 1 18 ; assi {17} ( resid 36 and name HG1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or{17} ( resid 36 and name HG2) ( resid 36 and name HE) ; 53 1 54 56 parsed_2m3t 1 19 ; assi {18} ( resid 38 and name HB1) ( resid 36 and name HE) 3.0 2.5 3.5 peak or {18} ( resid 38 and name HB2) ( resid 36 and name HE) ; 56 1 57 56 parsed_2m3t 1 20 ; assi {19} ( resid 38 and name HD21) ( resid 36 and name HE) 3.0 2.5 3.5 peak ; 59 1 60 83 parsed_2m3t 1 21 ; assi {20} ( resid 38 and name HD22) ( resid 36 and name HE) 3.0 2.5 3.5 peak ; 61 1 62 83 parsed_2m3t 1 22 ; assi {21} ( resid 52 and name HN) ( resid 52 and name HE) 3.0 2.5 3.5 peak ; 63 1 64 81 parsed_2m3t 1 23 ; assi {22} ( resid 52 and name HB1) ( resid 52 and name HE) 3.0 2.5 3.5 peak or {22} ( resid 52 and name HB2) ( resid 52 and name HE) ; 65 1 66 56 parsed_2m3t 1 24 ; assi {23} ( resid 52 and name HD1) ( resid 52 and name HE) 3.0 2.5 3.5 peak or {23} ( resid 52 and name HD2) ( resid 52 and name HE) ; 68 1 69 56 parsed_2m3t 1 25 ; assi {24} ( resid 52 and name HD1) ( resid 52 and name HE) 3.0 2.5 3.5 peak or {24} ( resid 52 and name HD2) ( resid 52 and name HE) ; 71 1 72 56 parsed_2m3t 1 26 ; assi {25} ( resid 52 and name HG1) ( resid 52 and name HE) 3.0 2.5 3.5 peak or {25} ( resid 52 and name HG2) ( resid 52 and name HE) ; 74 1 75 56 parsed_2m3t 1 27 ; assi {26} ( resid 68 and name HD1) ( resid 72 and name HE) 3.0 2.5 3.5 peak or {26} ( resid 68 and name HD2) ( resid 72 and name HE) ; 77 1 78 56 parsed_2m3t 1 28 ; assi {27} ( resid 68 and name HD1) ( resid 72 and name HE) 3.0 2.5 3.5 peak or {27} ( resid 68 and name HD2) ( resid 72 and name HE) ; 80 1 81 56 parsed_2m3t 1 29 ; assi {28} ( resid 68 and name HG1) ( resid 72 and name HE) 3.0 1.3 4.01 peak !1 or {28} ( resid 68 and name HG2) ( resid 72 and name HE) ; 83 1 84 56 parsed_2m3t 1 30 ; assi {29} ( resid 69 and name HB1) ( resid 72 and name HE) 3.0 2.5 3.5 peak or {29} ( resid 69 and name HB2) ( resid 72 and name HE) ; 86 1 87 56 parsed_2m3t 1 31 ; assi {30} ( resid 69 and name HG1) ( resid 72 and name HE) 3.0 1.3 4.71 peak !2 or {30} ( resid 69 and name HG2) ( resid 72 and name HE) ; 89 1 90 56 parsed_2m3t 1 32 ; assi {31} ( resid 72 and name HA) ( resid 72 and name HE) 3.0 2.5 3.5 peak ; 92 1 93 81 parsed_2m3t 1 33 ; assi {32} ( resid 72 and name HB1) ( resid 72 and name HE) 3.0 2.5 3.5 peak or {32} ( resid 72 and name HB2) ( resid 72 and name HE) ; 94 1 95 56 parsed_2m3t 1 34 ; assi {33} ( resid 72 and name HB1) ( resid 72 and name HE) 3.0 2.5 3.5 peak or {33} ( resid 72 and name HB2) ( resid 72 and name HE) ; 97 1 98 56 parsed_2m3t 1 35 ; assi {34} ( resid 72 and name HD1) ( resid 72 and name HE) 3.0 2.5 3.5 peak or {34} ( resid 72 and name HD2) ( resid 72 and name HE) ; 100 1 101 56 parsed_2m3t 1 36 ; assi {35} ( resid 72 and name HG1) ( resid 72 and name HE) 3.0 2.5 3.5 peak or {35} ( resid 72 and name HG2) ( resid 72 and name HE) ; 103 1 104 56 parsed_2m3t 1 37 ; assi {36} ( resid 51 and name HG1) ( resid 79 and name HE) 3.0 2.5 3.5 peak or {36} ( resid 51 and name HG2) ( resid 79 and name HE) ; 106 1 107 56 parsed_2m3t 1 38 ; assi {37} ( resid 79 and name HD1) ( resid 79 and name HE) 3.0 2.5 3.5 peak or {37} ( resid 79 and name HD2) ( resid 79 and name HE) ; 109 1 110 56 parsed_2m3t 1 39 ; assi {38} ( resid 79 and name HG1) ( resid 79 and name HE) 3.0 2.5 3.5 peak or {38} ( resid 79 and name HG2) ( resid 79 and name HE) ; 112 1 113 56 parsed_2m3t 1 40 ; assi {39} ( resid 84 and name HB1) ( resid 84 and name HE) 3.0 2.5 3.5 peak or {39} ( resid 84 and name HB2) ( resid 84 and name HE) ; 115 1 116 56 parsed_2m3t 1 41 ; assi {40} ( resid 84 and name HD1) ( resid 84 and name HE) 3.0 2.5 3.5 peak or {40} ( resid 84 and name HD2) ( resid 84 and name HE) ; 118 1 119 56 parsed_2m3t 1 42 ; assi {41} ( resid 84 and name HG1) ( resid 84 and name HE) 3.0 2.5 3.5 peak or {41} ( resid 84 and name HG2) ( resid 84 and name HE) ; 121 1 122 56 parsed_2m3t 1 43 ; assi {42} ( resid 125 and name HA) ( resid 125 and name HE) 3.0 2.5 3.5 peak ; 124 1 125 83 parsed_2m3t 1 44 ; assi {43} ( resid 125 and name HB1) ( resid 125 and name HE) 3.0 2.5 3.5 peak or {43} ( resid 125 and name HB2) ( resid 125 and name HE) ; 126 1 127 58 parsed_2m3t 1 45 ; assi {44} ( resid 125 and name HB1) ( resid 125 and name HE) 3.0 2.5 3.5 peak or {44} ( resid 125 and name HB2) ( resid 125 and name HE) ; 129 1 130 58 parsed_2m3t 1 46 ; assi {45} ( resid 125 and name HD1) ( resid 125 and name HE) 3.0 2.5 3.5 peak or {45} ( resid 125 and name HD2) ( resid 125 and name HE) ; 132 1 133 58 parsed_2m3t 1 47 ; assi {46} ( resid 125 and name HG1) ( resid 125 and name HE) 3.0 2.5 3.5 peak or {46} ( resid 125 and name HG2) ( resid 125 and name HE) ; 135 1 136 58 parsed_2m3t 1 48 ; assi {47} ( resid 142 and name HD11) ( resid 146 and name HE) 3.0 1.3 4.7 peak !2 or {47} ( resid 142 and name HD12) ( resid 146 and name HE) or {47} ( resid 142 and name HD13) ( resid 146 and name HE) or {47} ( resid 142 and name HD21) ( resid 146 and name HE) or {47} ( resid 142 and name HD22) ( resid 146 and name HE) or {47} ( resid 142 and name HD23) ( resid 146 and name HE) ; 138 1 143 59 parsed_2m3t 1 49 ; assi {48} ( resid 144 and name HB1) ( resid 146 and name HE) 3.0 2.5 3.5 peak or {48} ( resid 144 and name HB2) ( resid 146 and name HE) ; 145 1 146 58 parsed_2m3t 1 50 ; assi {49} ( resid 145 and name HB1) ( resid 146 and name HE) 3.0 1.3 4.51 peak !2 or {49} ( resid 145 and name HB2) ( resid 146 and name HE) ; 148 1 149 58 parsed_2m3t 1 51 ; assi {50} ( resid 146 and name HB1) ( resid 146 and name HE) 3.0 2.5 3.5 peak or {50} ( resid 146 and name HB2) ( resid 146 and name HE) ; 151 1 152 58 parsed_2m3t 1 52 ; assi {51} ( resid 146 and name HB1) ( resid 146 and name HE) 3.0 2.5 3.5 peak or {51} ( resid 146 and name HB2) ( resid 146 and name HE) ; 154 1 155 58 parsed_2m3t 1 53 ; assi {52} ( resid 146 and name HD1) ( resid 146 and name HE) 3.0 2.5 3.5 peak or {52} ( resid 146 and name HD2) ( resid 146 and name HE) ; 157 1 158 58 parsed_2m3t 1 54 ; assi {53} ( resid 146 and name HD1) ( resid 146 and name HE) 3.0 2.5 3.5 peak or {53} ( resid 146 and name HD2) ( resid 146 and name HE) ; 160 1 161 58 parsed_2m3t 1 55 ; assi {54} ( resid 148 and name HD1) ( resid 148 and name HE) 3.0 2.5 3.5 peak or {54} ( resid 148 and name HD2) ( resid 148 and name HE) ; 163 1 164 58 parsed_2m3t 1 56 ; assi {55} ( resid 148 and name HD1) ( resid 148 and name HE) 3.0 2.5 3.5 peak or {55} ( resid 148 and name HD2) ( resid 148 and name HE) ; 166 1 167 58 parsed_2m3t 1 57 ; assi {56} ( resid 148 and name HG1) ( resid 148 and name HE) 3.0 2.5 3.5 peak or {56} ( resid 148 and name HG2) ( resid 148 and name HE) ; 169 1 170 58 parsed_2m3t 1 58 ; assi {57} ( resid 158 and name HB1) ( resid 158 and name HE) 3.0 2.5 3.5 peak or {57} ( resid 158 and name HB2) ( resid 158 and name HE) ; 172 1 173 58 parsed_2m3t 1 59 ; assi {58} ( resid 158 and name HD1) ( resid 158 and name HE) 3.0 2.5 3.5 peak or {58} ( resid 158 and name HD2) ( resid 158 and name HE) ; 175 1 176 58 parsed_2m3t 1 60 ; assi {59} ( resid 158 and name HG1) ( resid 158 and name HE) 3.0 2.5 3.5 peak or {59} ( resid 158 and name HG2) ( resid 158 and name HE) ; 178 1 179 58 parsed_2m3t 1 61 ; assi {60} ( resid 138 and name HG11) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {60} ( resid 138 and name HG12) ( resid 174 and name HE) ; 181 1 182 59 parsed_2m3t 1 62 ; assi {61} ( resid 138 and name HD11) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {61} ( resid 138 and name HD12) ( resid 174 and name HE) or {61} ( resid 138 and name HD13) ( resid 174 and name HE) ; 184 1 186 59 parsed_2m3t 1 63 ; assi {62} ( resid 138 and name HG21) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {62} ( resid 138 and name HG22) ( resid 174 and name HE) or {62} ( resid 138 and name HG23) ( resid 174 and name HE) ; 188 1 190 59 parsed_2m3t 1 64 ; assi {63} ( resid 173 and name HA) ( resid 174 and name HE) 3.0 2.5 3.5 peak ; 192 1 193 83 parsed_2m3t 1 65 ; assi {64} ( resid 174 and name HB1) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {64} ( resid 174 and name HB2) ( resid 174 and name HE) ; 194 1 195 58 parsed_2m3t 1 66 ; assi {65} ( resid 174 and name HB1) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {65} ( resid 174 and name HB2) ( resid 174 and name HE) ; 197 1 198 58 parsed_2m3t 1 67 ; assi {66} ( resid 174 and name HD1) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {66} ( resid 174 and name HD2) ( resid 174 and name HE) ; 200 1 201 58 parsed_2m3t 1 68 ; assi {67} ( resid 174 and name HD1) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {67} ( resid 174 and name HD2) ( resid 174 and name HE) ; 203 1 204 58 parsed_2m3t 1 69 ; assi {68} ( resid 174 and name HG1) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {68} ( resid 174 and name HG2) ( resid 174 and name HE) ; 206 1 207 58 parsed_2m3t 1 70 ; assi {69} ( resid 174 and name HG1) ( resid 174 and name HE) 3.0 2.5 3.5 peak or {69} ( resid 174 and name HG2) ( resid 174 and name HE) ; 209 1 210 58 parsed_2m3t 1 71 ; assi {70} ( resid 175 and name HB1) ( resid 175 and name HE) 3.0 2.5 3.5 peak or {70} ( resid 175 and name HB2) ( resid 175 and name HE) ; 212 1 213 58 parsed_2m3t 1 72 ; assi {71} ( resid 175 and name HD1) ( resid 175 and name HE) 3.0 2.5 3.5 peak or {71} ( resid 175 and name HD2) ( resid 175 and name HE) ; 215 1 216 58 parsed_2m3t 1 73 ; assi {72} ( resid 175 and name HG1) ( resid 175 and name HE) 3.0 2.5 3.5 peak or {72} ( resid 175 and name HG2) ( resid 175 and name HE) ; 218 1 219 58 parsed_2m3t 1 stop_ save_
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