NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
562881 | 2m7x | 19216 | cing | 2-parsed | STAR | entry | full | 42 |
data_2m7x_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2m7x _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_2m7x 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2m7x _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 2m7x "Master copy" parsed_2m7x stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2m7x _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 2m7x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m7x 1 1 2m7x.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_2m7x 1 1 2m7x.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2m7x 1 1 2m7x.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2m7x 1 1 2m7x.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m7x 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_2m7x _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 MEMBRANE PROTEIN 02-MAY-13 2M7X *TITLE STRUCTURAL AND FUNCTIONAL ANALYSIS OF TRANSMEMBRANE SEGMENT IV OF THE *TITLE 2 SALT TOLERANCE PROTEIN SOD2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: NA(+)/H(+) ANTIPORTER; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; *SOURCE 3 ORGANISM_COMMON: FISSION YEAST; *SOURCE 4 ORGANISM_TAXID: 284812; *SOURCE 5 STRAIN: 972 / ATCC 24843; *SOURCE 6 GENE: SOD2, SPAC977.10; *SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 9 EXPRESSION_SYSTEM_STRAIN: XL1-BLUE; *SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PMAL-C2X; *SOURCE 11 OTHER_DETAILS: MALTOSE BINDING PROTEIN FUSION *KEYWDS SOD2, TRANSMEMBRANE, MEMBRANE PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 25 *AUTHOR A.ULLAH, G.KEMP, B.LEE, C.ALVES, H.YOUNG, B.D.SYKES, L.FLIEGEL *REVDAT 1 05-JUN-13 2M7X 0 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2m7x _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 122 . c . 123 . n . 123 . ca . 123 . c parsed_2m7x 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 123 . n . 123 . ca . 123 . c . 124 . n parsed_2m7x 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 127 . c . 128 . n . 128 . ca . 128 . c parsed_2m7x 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 128 . n . 128 . ca . 128 . c . 129 . n parsed_2m7x 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 128 . c . 129 . n . 129 . ca . 129 . c parsed_2m7x 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 129 . c . 129 . ca . 129 . c . 130 . n parsed_2m7x 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 129 . c . 130 . n . 130 . ca . 130 . c parsed_2m7x 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 130 . n . 130 . ca . 130 . c . 131 . n parsed_2m7x 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 130 . c . 131 . n . 131 . ca . 131 . c parsed_2m7x 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 131 . n . 131 . ca . 131 . c . 132 . n parsed_2m7x 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 131 . c . 132 . n . 132 . ca . 132 . c parsed_2m7x 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 132 . n . 132 . ca . 132 . c . 133 . n parsed_2m7x 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 132 . c . 133 . n . 133 . ca . 133 . c parsed_2m7x 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 133 . n . 133 . ca . 133 . c . 134 . n parsed_2m7x 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 133 . c . 134 . n . 134 . ca . 134 . c parsed_2m7x 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 134 . n . 134 . ca . 134 . c . 135 . n parsed_2m7x 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 134 . c . 135 . n . 135 . ca . 135 . c parsed_2m7x 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 135 . n . 135 . ca . 135 . c . 136 . n parsed_2m7x 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 135 . c . 136 . n . 136 . ca . 136 . c parsed_2m7x 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 136 . n . 136 . ca . 136 . c . 137 . n parsed_2m7x 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 136 . c . 137 . n . 137 . ca . 137 . c parsed_2m7x 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 137 . n . 137 . ca . 137 . c . 138 . n parsed_2m7x 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 137 . c . 138 . n . 138 . ca . 138 . c parsed_2m7x 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 138 . n . 138 . ca . 138 . c . 139 . n parsed_2m7x 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 138 . c . 139 . n . 139 . ca . 139 . c parsed_2m7x 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 139 . n . 139 . ca . 139 . c . 140 . n parsed_2m7x 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 139 . c . 140 . n . 140 . ca . 140 . c parsed_2m7x 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 140 . n . 140 . ca . 140 . c . 141 . n parsed_2m7x 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 140 . c . 141 . n . 141 . ca . 141 . c parsed_2m7x 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 141 . n . 141 . ca . 141 . c . 142 . n parsed_2m7x 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 141 . c . 142 . n . 142 . ca . 142 . c parsed_2m7x 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 142 . n . 142 . ca . 142 . c . 143 . n parsed_2m7x 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 147 . c . 148 . n . 148 . ca . 148 . c parsed_2m7x 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 148 . n . 148 . ca . 148 . c . 149 . n parsed_2m7x 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 148 . c . 149 . n . 149 . ca . 149 . c parsed_2m7x 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 149 . n . 149 . ca . 149 . c . 150 . n parsed_2m7x 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 149 . c . 150 . n . 150 . ca . 150 . c parsed_2m7x 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 150 . n . 150 . ca . 150 . c . 151 . n parsed_2m7x 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 150 . c . 151 . n . 151 . ca . 151 . c parsed_2m7x 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 151 . n . 151 . ca . 151 . c . 152 . n parsed_2m7x 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 151 . c . 152 . n . 152 . ca . 152 . c parsed_2m7x 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 152 . n . 152 . ca . 152 . c . 153 . n parsed_2m7x 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 ; Dihedral angle restraints based on csi data ! ! Phi restraints: minimum deviation = 30 degrees ! 121 assign (resid 120 and name c ) (resid 121 and name n ) (resid 121 and name ca) (resid 121 and name c ) 1.0 -60.0 25.0 2 ! 122 assign (resid 121 and name c ) (resid 122 and name n ) (resid 122 and name ca) (resid 122 and name c ) 1.0 -60.0 25.0 2 ! 123 ; 1 1 12 20 parsed_2m7x 1 2 "! 123" 15 1 15 20 parsed_2m7x 1 3 ; ! 124 assign (resid 123 and name c ) (resid 124 and name n ) (resid 124 and name ca) (resid 124 and name c ) 1.0 -60.0 25.0 2 ! 125 assign (resid 124 and name c ) (resid 125 and name n ) (resid 125 and name ca) (resid 125 and name c ) 1.0 -60.0 25.0 2 ! 126 assign (resid 125 and name c ) (resid 126 and name n ) (resid 126 and name ca) (resid 126 and name c ) 1.0 -60.0 25.0 2 ! 127 assign (resid 126 and name c ) (resid 127 and name n ) (resid 127 and name ca) (resid 127 and name c ) 1.0 -60.0 25.0 2 ! 128 ; 18 1 30 20 parsed_2m7x 1 4 "! 128" 33 1 33 20 parsed_2m7x 1 5 "! 129" 36 1 36 20 parsed_2m7x 1 6 "! 129" 39 1 39 20 parsed_2m7x 1 7 "! 130" 42 1 42 20 parsed_2m7x 1 8 "! 130" 45 1 45 20 parsed_2m7x 1 9 "! 131" 48 1 48 20 parsed_2m7x 1 10 "! 131" 51 1 51 20 parsed_2m7x 1 11 "! 132" 54 1 54 20 parsed_2m7x 1 12 "! 132" 57 1 57 20 parsed_2m7x 1 13 "! 133" 60 1 60 20 parsed_2m7x 1 14 "! 133" 63 1 63 20 parsed_2m7x 1 15 "! 134" 66 1 66 20 parsed_2m7x 1 16 "! 134" 69 1 69 20 parsed_2m7x 1 17 "! 135" 72 1 72 20 parsed_2m7x 1 18 "! 135" 75 1 75 20 parsed_2m7x 1 19 "! 136" 78 1 78 20 parsed_2m7x 1 20 "! 136" 81 1 81 20 parsed_2m7x 1 21 "! 137" 84 1 84 20 parsed_2m7x 1 22 "! 137" 87 1 87 20 parsed_2m7x 1 23 "! 138" 90 1 90 20 parsed_2m7x 1 24 "! 138" 93 1 93 20 parsed_2m7x 1 25 "! 139" 96 1 96 20 parsed_2m7x 1 26 "! 139" 99 1 99 20 parsed_2m7x 1 27 "! 140" 102 1 102 20 parsed_2m7x 1 28 "! 140" 105 1 105 20 parsed_2m7x 1 29 "! 141" 108 1 108 20 parsed_2m7x 1 30 "! 141" 111 1 111 20 parsed_2m7x 1 31 "! 142" 114 1 114 20 parsed_2m7x 1 32 "! 142" 117 1 117 20 parsed_2m7x 1 33 ; ! 143 assign (resid 142 and name c ) (resid 143 and name n ) (resid 143 and name ca) (resid 143 and name c ) 1.0 -60.0 25.0 2 ! 144 assign (resid 143 and name c ) (resid 144 and name n ) (resid 144 and name ca) (resid 144 and name c ) 1.0 -60.0 25.0 2 ! 145 assign (resid 144 and name c ) (resid 145 and name n ) (resid 145 and name ca) (resid 145 and name c ) 1.0 -60.0 25.0 2 ! 146 assign (resid 145 and name c ) (resid 146 and name n ) (resid 146 and name ca) (resid 146 and name c ) 1.0 -60.0 25.0 2 ! 147 assign (resid 146 and name c ) (resid 147 and name n ) (resid 147 and name ca) (resid 147 and name c ) 1.0 -60.0 25.0 2 ! 148 ; 120 1 135 20 parsed_2m7x 1 34 "! 148" 138 1 138 20 parsed_2m7x 1 35 "! 149" 141 1 141 20 parsed_2m7x 1 36 "! 149" 144 1 144 20 parsed_2m7x 1 37 "! 150" 147 1 147 20 parsed_2m7x 1 38 "! 150" 150 1 150 20 parsed_2m7x 1 39 "! 151" 153 1 153 20 parsed_2m7x 1 40 "! 151" 156 1 156 20 parsed_2m7x 1 41 "! 152" 159 1 159 20 parsed_2m7x 1 42 "! 152" 162 1 162 20 parsed_2m7x 1 43 ; ! 153 assign (resid 152 and name c ) (resid 153 and name n ) (resid 153 and name ca) (resid 153 and name c ) 1.0 -60.0 25.0 2 ! 154 assign (resid 153 and name c ) (resid 154 and name n ) (resid 154 and name ca) (resid 154 and name c ) 1.0 -60.0 25.0 2 ! 154 assign (resid 153 and name c ) (resid 154 and name n ) (resid 154 and name ca) (resid 154 and name c ) 1.0 -60.0 25.0 2 ! 155 assign (resid 154 and name c ) (resid 155 and name n ) (resid 155 and name ca) (resid 155 and name c ) 1.0 -60.0 25.0 2 ! 156 assign (resid 155 and name c ) (resid 156 and name n ) (resid 156 and name ca) (resid 156 and name c ) 1.0 -60.0 25.0 2 ! 157 assign (resid 156 and name c ) (resid 157 and name n ) (resid 157 and name ca) (resid 157 and name c ) 1.0 -60.0 25.0 2 ; 165 1 182 66 parsed_2m7x 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m7x _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _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 ; echo=false wrnlev=0 ; 1 1 2 16 parsed_2m7x 1 2 ; CaH(i)-NH(j) long range assign (resid 2 and name HA )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HA )(resid 52 and name HN ) 3.0 1.2 0.5 assign (resid 6 and name HA )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HA )(resid 14 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HA )(resid 7 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HA )(resid 9 and name HN ) 3.0 1.2 0.5 assign (resid 15 and name HA )(resid 7 and name HN ) 2.5 0.7 0.4 assign (resid 17 and name HA )(resid 5 and name HN ) 3.0 1.2 0.5 assign (resid 43 and name HA )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HA )(resid 46 and name HN ) 3.0 1.2 0.5 assign (resid 53 and name HA )(resid 6 and name HN ) 2.5 0.7 0.4 assign (resid 54 and name HA )(resid 44 and name HN ) 3.0 1.2 0.5 assign (resid 56 and name HA )(resid 42 and name HN ) 4.0 2.2 1.0 Long range NH(i)-NH(j) assign (resid 3 and name HN )(resid 18 and name HN ) 3.0 1.2 0.5 assign (resid 6 and name HN )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HN )(resid 14 and name HN ) 3.0 1.2 0.5 assign (resid 8 and name HN )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 5 and name HN ) 3.0 1.2 0.5 assign (resid 42 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 44 and name HN )(resid 53 and name HN ) 3.0 1.2 0.5 assign (resid 52 and name HN )(resid 4 and name HN ) 3.0 1.2 0.5 assign (resid 52 and name HN )(resid 6 and name HN ) 4.0 2.2 1.0 long range CaH(i)-CaH(j) assign (resid 4 and name HA )(resid 17 and name HA ) 2.5 0.7 0.2 assign (resid 15 and name HA )(resid 6 and name HA ) 2.5 0.7 0.2 assign (resid 19 and name HA )(resid 2 and name HA ) 2.5 0.7 0.2 assign (resid 43 and name HA )(resid 54 and name HA ) 2.5 0.7 0.2 assign (resid 51 and name HA )(resid 5 and name HA ) 4.0 2.2 2.0 assign (resid 52 and name HA )(resid 45 and name HA ) 2.5 0.7 0.2 assign (resid 53 and name HA )(resid 5 and name HA ) 4.0 2.2 2.0 assign (resid 53 and name HA )(resid 7 and name HA ) 4.0 2.2 1.0 assign (resid 56 and name HA )(resid 41 and name HA# ) 2.5 1.7 0.2 !# long range CaH(i)-CbH(j) assign (resid 2 and name HA )(resid 19 and name HB# ) 4.0 2.2 1.0 !# assign (resid 3 and name HA )(resid 50 and name HB# ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 17 and name HB ) 4.0 2.2 1.0 assign (resid 5 and name HA )(resid 52 and name HB# ) 3.0 1.2 0.3 assign (resid 17 and name HA )(resid 2 and name HB ) 4.0 2.2 3.0 assign (resid 17 and name HA )(resid 4 and name HB# ) 4.0 2.2 2.0 assign (resid 26 and name HA )(resid 20 and name HB# ) 3.0 1.2 0.3 !# assign (resid 40 and name HA )(resid 34 and name HB# ) 4.0 2.2 1.0 !# assign (resid 55 and name HA )(resid 8 and name HB# ) 2.5 0.7 0.2 assign (resid 54 and name HA )(resid 43 and name HB# ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 52 and name HA )(resid 3 and name HB# ) 4.0 2.2 2.0 Cbh(i)-CbH(j) !assign (resid 3 and name HB# )(resid 46 and name HB# ) 4.0 2.2 3.0 assign (resid 26 and name HB# )(resid 3 and name HB# ) 3.0 1.2 0.3 assign (resid 26 and name HB# )(resid 20 and name HB# ) 2.5 0.7 0.2 ! !# assign (resid 34 and name HB# )(resid 54 and name HB ) 4.0 2.2 1.0 ! assign (resid 54 and name HB )(resid 8 and name HN ) 4.0 2.2 2.0 assign (resid 55 and name HB )(resid 42 and name HB# ) 3.0 1.2 0.3 long range Thr CbH(i)-NH(j) assign (resid 17 and name HB )(resid 3 and name HN ) 4.0 2.2 1.0 assign (resid 51 and name HB )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HB )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HB )(resid 42 and name HN ) 4.0 2.2 1.0 long range CbH(i)-NH(j) assign (resid 3 and name HB# )(resid 18 and name HN ) 4.0 2.2 2.0 assign (resid 5 and name HB# )(resid 16 and name HN ) 3.0 1.2 0.5 assign (resid 5 and name HB# )(resid 15 and name HN ) 4.0 2.2 3.0 assign (resid 15 and name HB# )(resid 7 and name HN ) 4.0 3.2 2.0 ! !assign (resid 39 and name HB )(resid 56 and name HN ) 4.0 2.2 3.0 assign (resid 54 and name HB )(resid 8 and name HN ) 4.0 2.2 2.0 assign (resid 56 and name HB# )(resid 10 and name HN ) 2.5 0.7 0.4 other long range assign (resid 5 and name HD2# )(resid 16 and name HG2# ) 3.0 1.2 1.3 ! !# assign (resid 5 and name HD2# )(resid 30 and name HA ) 3.0 1.2 0.8 ! assign (resid 5 and name HD1# )(resid 30 and name HB# ) 4.0 2.2 1.5 ! assign (resid 5 and name HD2# )(resid 30 and name HB# ) 4.0 2.2 1.5 ! assign (resid 5 and name HD2# )(resid 30 and name HB# ) 3.0 2.2 0.8 ! assign (resid 5 and name HD1# )(resid 30 and name HB# ) 4.0 2.2 1.5 ! assign (resid 5 and name HD2# )(resid 33 and name HB# ) 4.0 2.2 1.5 ! !# assign (resid 5 and name HD2# )(resid 34 and name HA ) 4.0 2.2 1.5 ! assign (resid 5 and name HD2# )(resid 34 and name HN ) 4.0 2.2 1.5 ! assign (resid 5 and name HD2# )(resid 34 and name HB# ) 3.0 1.2 0.8 ! !# assign (resid 5 and name HD1# )(resid 34 and name HB# ) 4.0 2.2 2.5 ! !# assign (resid 5 and name HD1# )(resid 52 and name HN ) 4.0 2.2 1.5 ! assign (resid 5 and name HD1# )(resid 54 and name HN ) 2.5 0.7 0.7 ! assign (resid 5 and name HD1# )(resid 15 and name HA ) 4.0 2.2 1.5 ! assign (resid 5 and name HD1# )(resid 53 and name HA ) 3.0 1.2 0.8 ! assign (resid 5 and name HD1# )(resid 54 and name HG1# ) 4.0 2.2 2.0 ! !# assign (resid 5 and name HD1# )(resid 54 and name HG2# ) 4.0 2.2 2.0 ! !# assign (resid 5 and name HD1# )(resid 54 and name HB ) 4.0 2.2 1.5 ! assign (resid 5 and name HG )(resid 15 and name HA ) 4.0 2.2 1.0 assign (resid 6 and name HG2# )(resid 14 and name HN ) 4.0 2.2 1.5 ! assign (resid 6 and name HD1# )(resid 15 and name HB# ) 4.0 2.2 1.5 assign (resid 7 and name HD1# )(resid 15 and name HA ) 3.0 1.2 0.8 ! assign (resid 7 and name HD1# )(resid 16 and name HG2# ) 3.0 1.2 1.3 ! !# assign (resid 7 and name HD# )(resid 34 and name HN ) 4.0 2.2 1.5 ! assign (resid 7 and name HD1# )(resid 34 and name HA ) 4.0 2.2 1.5 ! assign (resid 7 and name HD2# )(resid 34 and name HA ) 4.0 2.2 1.5 ! assign (resid 7 and name HD* )(resid 15 and name HG# ) 4.0 2.2 2.0 ! !# assign (resid 7 and name HD2# )(resid 34 and name HB# ) 3.0 1.2 0.8 ! !# assign (resid 7 and name HD2# )(resid 54 and name HB ) 4.0 2.2 1.5 ! assign (resid 7 and name HD2# )(resid 39 and name HB ) 4.0 2.2 1.5 ! assign (resid 12 and name HD2# )(resid 37 and name HB# ) 2.5 0.7 0.7 ! assign (resid 12 and name HD1# )(resid 37 and name HB# ) 4.0 2.2 1.5 ! assign (resid 56 and name HG# )(resid 10 and name HN ) 4.0 2.2 1.0 ! long range Val CbH(i)-NH(j) assign (resid 39 and name HG1# )(resid 9 and name HN ) 4.0 1.2 1.5 assign (resid 39 and name HG2# )(resid 9 and name HN ) 4.0 2.2 2.5 ! assign (resid 39 and name HG1# )(resid 8 and name HN ) 4.0 2.2 2.5 ! assign (resid 39 and name HG1# )(resid 10 and name HN ) 4.0 2.2 2.5 ! assign (resid 39 and name HG2# )(resid 10 and name HN ) 4.0 2.2 1.5 ! assign (resid 39 and name HG2# )(resid 12 and name HN ) 4.0 2.2 1.5 ! assign (resid 39 and name HG1# )(resid 12 and name HN ) 4.0 2.2 2.5 ! assign (resid 39 and name HG1# )(resid 54 and name HA ) 4.0 2.2 1.5 ! assign (resid 39 and name HG1# )(resid 56 and name HA ) 4.0 2.2 1.5 ! assign (resid 39 and name HG1# )(resid 56 and name HN ) 4.0 2.2 1.5 ! assign (resid 39 and name HG1# )(resid 56 and name HG# ) 3.0 1.2 1.0 ! !# assign (resid 39 and name HG1# )(resid 56 and name HB# ) 4.0 2.2 2.5 ! !# long range Val hg assign (resid 39 and name HG1# )(resid 54 and name HG1# ) 2.5 0.7 1.2 ! !# assign (resid 39 and name HG1# )(resid 54 and name HG2# ) 2.5 0.7 1.2 ! !# assign (resid 39 and name HG1# )(resid 54 and name HB ) 4.0 2.2 1.5 ! assign (resid 39 and name HG1# )(resid 34 and name HB# ) 4.0 2.2 1.5 ! !# assign (resid 39 and name HG2# )(resid 34 and name HB# ) 4.0 2.2 2.5 ! !# assign (resid 39 and name HG1# )(resid 7 and name HA ) 4.0 2.2 1.5 ! assign (resid 54 and name HG1# )(resid 5 and name HB# ) 4.0 2.2 1.5 ! assign (resid 54 and name HG1# )(resid 7 and name HD2# ) 2.5 2.2 1.2 ! !# assign (resid 54 and name HG2# )(resid 7 and name HD2# ) 4.0 2.2 3.0 ! !# assign (resid 54 and name HG1# )(resid 7 and name HG ) 3.0 1.2 0.8 ! assign (resid 54 and name HG2# )(resid 7 and name HB# ) 4.0 2.2 2.5 ! assign (resid 54 and name HG1# )(resid 8 and name HN ) 2.5 0.7 0.7 ! assign (resid 54 and name HG1# )(resid 34 and name HB# ) 3.0 1.2 0.8 ! !# assign (resid 54 and name HG2# )(resid 34 and name HB# ) 4.0 2.2 2.5 ! !# assign (resid 54 and name HG1# )(resid 39 and name HB ) 4.0 2.2 1.5 ! assign (resid 54 and name HG2# )(resid 40 and name HA ) 4.0 2.2 1.5 ! assign (resid 54 and name HG2# )(resid 41 and name HN ) 3.0 1.2 0.8 ! assign (resid 54 and name HG1# )(resid 41 and name HN ) 4.0 2.2 1.5 ! assign (resid 54 and name HG2# )(resid 41 and name HA# ) 4.0 2.2 1.5 ! !# assign (resid 54 and name HG2# )(resid 42 and name HN ) 4.0 2.2 1.5 ! assign (resid 54 and name HG2# )(resid 43 and name HA ) 3.0 1.2 0.9 ! long range Thr hg2# assign (resid 2 and name HG2# )(resid 18 and name HN ) 2.5 1.2 0.9 ! assign (resid 2 and name HG2# )(resid 17 and name HA ) 4.0 2.2 2.5 ! assign (resid 2 and name HG2# )(resid 19 and name HG# ) 4.0 2.2 1.5 ! !# assign (resid 16 and name HG2# )(resid 5 and name HN ) 3.0 1.2 0.9 ! assign (resid 16 and name HG2# )(resid 5 and name HB# ) 3.0 1.2 0.8 ! assign (resid 16 and name HG2# )(resid 33 and name HB# ) 4.0 2.2 2.5 ! !# assign (resid 17 and name HG2# )(resid 4 and name HA ) 3.0 1.2 0.8 ! assign (resid 17 and name HG2# )(resid 4 and name HN ) 4.0 2.2 2.5 ! assign (resid 18 and name HG2# )(resid 3 and name HN ) 3.0 1.2 0.9 ! assign (resid 18 and name HG2# )(resid 3 and name HB# ) 4.0 2.2 1.5 ! assign (resid 18 and name HG2# )(resid 26 and name HA ) 3.0 1.2 0.8 ! assign (resid 18 and name HG2# )(resid 29 and name HG1# ) 3.0 1.2 1.3 ! !# assign (resid 18 and name HG2# )(resid 29 and name HG2# ) 4.0 2.2 2.0 ! !# assign (resid 18 and name HG2# )(resid 29 and name HB ) 3.0 1.2 0.8 ! assign (resid 25 and name HB )(resid 28 and name HD# ) 4.0 2.2 2.0 !# assign (resid 25 and name HB )(resid 28 and name HE# ) 4.0 2.2 2.0 !# assign (resid 51 and name HG2# )(resid 4 and name HB# ) 3.0 1.2 0.8 ! assign (resid 51 and name HG2# )(resid 5 and name HA ) 4.0 2.2 1.5 ! assign (resid 51 and name HG2# )(resid 6 and name HG1# ) 4.0 2.2 2.0 ! !# assign (resid 53 and name HG2# )(resid 6 and name HB ) 3.0 1.2 0.8 ! assign (resid 53 and name HG2# )(resid 7 and name HN ) 4.0 2.2 1.5 ! assign (resid 53 and name HG2# )(resid 8 and name HB# ) 4.0 2.2 1.5 ! assign (resid 55 and name HG2# )(resid 8 and name HN ) 4.0 2.2 1.5 Long range aromatics Tyr-3 assign (resid 3 and name HD# )(resid 20 and name HB# ) 3.0 1.2 0.8 !# assign (resid 3 and name HE# )(resid 20 and name HB# ) 3.0 1.2 0.8 !# assign (resid 3 and name HE# )(resid 23 and name HB# ) 4.0 2.2 2.5 !# assign (resid 3 and name HD# )(resid 26 and name HB# ) 3.0 1.2 0.8 !# assign (resid 3 and name HD# )(resid 45 and name HE# ) 3.0 1.2 0.3 assign (resid 3 and name HD# )(resid 50 and name HA ) 3.0 1.2 0.3 assign (resid 3 and name HD# )(resid 50 and name HB# ) 2.5 0.7 0.2 Phe-30 assign (resid 30 and name HZ )(resid 3 and name HB# ) 4.0 2.2 1.0 assign (resid 30 and name HE# )(resid 3 and name HB# ) 4.0 2.2 1.0 assign (resid 30 and name HZ )(resid 4 and name HA ) 4.0 2.2 1.0 assign (resid 30 and name HE# )(resid 4 and name HA ) 4.0 2.2 1.0 assign (resid 30 and name HD# )(resid 5 and name HB# ) 3.0 1.2 0.3 assign (resid 30 and name HE# )(resid 5 and name HB# ) 3.0 1.2 0.3 assign (resid 30 and name HZ )(resid 5 and name HB# ) 4.0 2.2 1.0 assign (resid 30 and name HZ )(resid 5 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HE# )(resid 5 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HE# )(resid 16 and name HG2# ) 3.0 1.2 0.8 !# assign (resid 30 and name HZ )(resid 16 and name HG2# ) 4.0 2.2 2.5 !# assign (resid 30 and name HE# )(resid 16 and name HB ) 4.0 2.2 2.0 assign (resid 30 and name HZ )(resid 17 and name HA ) 3.0 1.2 0.3 assign (resid 30 and name HE# )(resid 17 and name HA ) 4.0 2.2 1.0 assign (resid 30 and name HZ )(resid 17 and name HB ) 4.0 2.2 2.0 assign (resid 30 and name HE# )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HZ )(resid 18 and name HB ) 4.0 2.2 1.0 assign (resid 30 and name HE# )(resid 18 and name HB ) 3.0 1.2 0.3 assign (resid 30 and name HZ )(resid 18 and name HG2# ) 3.0 1.2 0.8 !# Tyr-33 assign (resid 33 and name HD# )(resid 16 and name HG2# ) 4.0 2.2 1.5 !# assign (resid 33 and name HD# )(resid 5 and name HD2# ) 3.0 1.2 0.8 !# assign (resid 33 and name HD# )(resid 7 and name HD1# ) 3.0 1.2 0.8 !# assign (resid 33 and name HE# )(resid 7 and name HD1# ) 3.0 1.2 0.8 !# assign (resid 33 and name HD# )(resid 7 and name HD2# ) 3.0 1.2 0.8 !# assign (resid 33 and name HE# )(resid 7 and name HD2# ) 3.0 1.2 0.8 !# Trp-43 assign (resid 43 and name HH2 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# assign (resid 43 and name HZ3 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# assign (resid 43 and name HH2 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# assign (resid 43 and name HZ3 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# assign (resid 43 and name HZ3 )(resid 5 and name HB# ) 4.0 2.2 1.0 assign (resid 43 and name HE3 )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# assign (resid 43 and name HZ2 )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# assign (resid 43 and name HH2 )(resid 30 and name HN ) 4.0 2.2 2.0 assign (resid 43 and name HH2 )(resid 31 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HH2 )(resid 31 and name HA ) 3.0 1.2 0.3 assign (resid 43 and name HZ2 )(resid 31 and name HA ) 3.0 1.2 0.3 assign (resid 43 and name HH2 )(resid 31 and name HA ) 3.0 1.2 0.3 assign (resid 43 and name HE3 )(resid 31 and name HB# ) 4.0 2.2 2.0 assign (resid 43 and name HH2 )(resid 31 and name HB# ) 4.0 2.2 2.0 assign (resid 43 and name HZ2 )(resid 31 and name HB# ) 4.0 2.2 2.0 assign (resid 43 and name HE1 )(resid 31 and name HA ) 4.0 2.2 2.0 assign (resid 43 and name HE1 )(resid 31 and name HB# ) 4.0 2.2 2.0 assign (resid 43 and name HE1 )(resid 31 and name HG# ) 4.0 2.2 2.0 !# assign (resid 43 and name HH2 )(resid 34 and name HB# ) 2.5 0.7 0.2 !# assign (resid 43 and name HZ2 )(resid 34 and name HB# ) 3.0 1.2 0.3 !# assign (resid 43 and name HZ3 )(resid 34 and name HB# ) 4.0 2.2 1.0 !# assign (resid 43 and name HE1 )(resid 40 and name HA ) 4.0 2.2 1.0 assign (resid 43 and name HZ3 )(resid 52 and name HD# ) 4.0 2.2 1.0 assign (resid 43 and name HE3 )(resid 52 and name HD# ) 3.0 1.2 0.3 assign (resid 43 and name HE3 )(resid 52 and name HE# ) 4.0 2.2 1.0 assign (resid 43 and name HE3 )(resid 52 and name HA ) 4.0 2.2 2.0 assign (resid 43 and name HE3 )(resid 52 and name HB# ) 4.0 2.2 1.0 assign (resid 43 and name HE3 )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HZ2 )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 43 and name HE3 )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 43 and name HE3 )(resid 54 and name HA ) 4.0 2.2 1.0 assign (resid 43 and name HE1 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 43 and name HE1 )(resid 54 and name HG2# ) 3.0 1.2 0.8 !# assign (resid 43 and name HZ2 )(resid 54 and name HG2# ) 3.0 1.2 0.8 !# assign (resid 43 and name HZ2 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 43 and name HE3 )(resid 54 and name HG2# ) 3.0 1.2 0.8 !# assign (resid 43 and name HE3 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 43 and name HH2 )(resid 54 and name HG2# ) 4.0 2.2 1.5 !# assign (resid 43 and name HH2 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 43 and name HZ3 )(resid 54 and name HG2# ) 4.0 2.2 1.5 !# assign (resid 43 and name HZ3 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 43 and name HE3 )(resid 54 and name HG2# ) 3.0 2.2 0.8 !# Phe-45 assign (resid 45 and name HE# )(resid 23 and name HB# ) 4.0 2.2 1.5 !# assign (resid 45 and name HE# )(resid 26 and name HN ) 4.0 2.2 3.0 assign (resid 45 and name HE# )(resid 51 and name HN ) 4.0 2.2 1.0 assign (resid 45 and name HE# )(resid 52 and name HD# ) 4.0 2.2 1.0 assign (resid 45 and name HE# )(resid 52 and name HE# ) 3.0 1.2 0.3 assign (resid 45 and name HE# )(resid 52 and name HZ ) 4.0 2.2 1.0 assign (resid 45 and name HD# )(resid 52 and name HD# ) 4.0 2.2 1.0 assign (resid 45 and name HD# )(resid 52 and name HE# ) 3.0 1.2 0.3 assign (resid 45 and name HD# )(resid 52 and name HA ) 3.0 1.2 0.3 ! Phe-52 assign (resid 52 and name HD# )(resid 5 and name HB# ) 4.0 2.2 2.0 assign (resid 52 and name HD# )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# assign (resid 52 and name HE# )(resid 23 and name HB# ) 4.0 2.2 1.5 !# assign (resid 52 and name HZ )(resid 23 and name HB# ) 3.0 1.2 0.8 !# assign (resid 52 and name HZ )(resid 23 and name HA ) 4.0 2.2 1.0 assign (resid 52 and name HD# )(resid 26 and name HB# ) 4.0 2.2 1.5 !# assign (resid 52 and name HE# )(resid 26 and name HB# ) 3.0 1.2 0.8 !# assign (resid 52 and name HZ )(resid 26 and name HB# ) 4.0 3.7 2.5 !# assign (resid 52 and name HE# )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HZ )(resid 27 and name HN ) 3.0 1.2 0.5 assign (resid 52 and name HE# )(resid 27 and name HG# ) 3.0 1.2 0.3 !# assign (resid 52 and name HZ )(resid 27 and name HG# ) 3.0 1.2 0.3 !# assign (resid 52 and name HZ )(resid 27 and name HA ) 4.0 2.2 2.0 assign (resid 52 and name HD# )(resid 30 and name HB# ) 4.0 2.2 1.0 assign (resid 52 and name HD# )(resid 30 and name HZ ) 4.0 2.2 2.0 assign (resid 52 and name HD# )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HD# )(resid 45 and name HB# ) 4.0 2.2 1.0 assign (resid 52 and name HE# )(resid 45 and name HB# ) 3.0 1.2 0.3 assign (resid 52 and name HD# )(resid 45 and name HA ) 4.0 2.2 1.0 Ile assign (resid 6 and name HD# )(resid 53 and name HA ) 4.0 2.2 1.5 ! assign (resid 6 and name HB )(resid 53 and name HA ) 3.0 1.2 0.3 Noes involving side chain amides assign (resid 8 and name HD2# )(resid 55 and name HG2# ) 3.0 1.2 1.0 ! !# assign (resid 8 and name HD2# )(resid 55 and name HN ) 4.0 2.2 2.0 ! !!Short range NOEs CaH(i)-NH(i+1) assign (resid 1 and name HA )(resid 2 and name HN ) 2.5 0.7 0.4 assign (resid 2 and name HA )(resid 3 and name HN ) 2.5 0.7 0.4 assign (resid 3 and name HA )(resid 4 and name HN ) 2.5 0.7 0.4 assign (resid 4 and name HA )(resid 5 and name HN ) 2.5 0.7 0.4 assign (resid 5 and name HA )(resid 6 and name HN ) 2.5 0.7 0.4 assign (resid 6 and name HA )(resid 7 and name HN ) 2.5 0.7 0.4 assign (resid 7 and name HA )(resid 8 and name HN ) 2.5 0.7 0.4 assign (resid 8 and name HA )(resid 9 and name HN ) 2.5 0.7 0.4 assign (resid 9 and name HA# )(resid 10 and name HN ) 2.5 1.7 0.4 ! assign (resid 10 and name HA )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 11 and name HA )(resid 12 and name HN ) 3.0 1.2 0.5 assign (resid 12 and name HA )(resid 13 and name HN ) 2.5 0.7 0.4 assign (resid 13 and name HA )(resid 14 and name HN ) 2.5 0.7 0.4 assign (resid 14 and name HA# )(resid 15 and name HN ) 2.5 0.7 0.4 ! assign (resid 15 and name HA )(resid 16 and name HN ) 2.5 0.7 0.4 assign (resid 16 and name HA )(resid 17 and name HN ) 3.0 1.2 0.5 assign (resid 17 and name HA )(resid 18 and name HN ) 2.5 0.7 0.4 assign (resid 18 and name HA )(resid 19 and name HN ) 2.5 0.7 0.4 assign (resid 19 and name HA )(resid 20 and name HN ) 2.5 0.7 0.4 assign (resid 20 and name HA )(resid 21 and name HN ) 2.5 0.7 0.4 assign (resid 21 and name HN )(resid 22 and name HN ) 4.0 2.2 1.4 assign (resid 22 and name HA )(resid 23 and name HN ) 2.5 0.7 0.4 assign (resid 23 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 32 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 33 and name HA )(resid 34 and name HN ) 3.0 1.2 0.5 assign (resid 34 and name HA )(resid 35 and name HN ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 36 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HA )(resid 38 and name HN ) 3.0 1.2 0.5 assign (resid 38 and name HA# )(resid 39 and name HN ) 3.0 1.2 0.5 ! assign (resid 39 and name HA )(resid 40 and name HN ) 3.0 1.2 0.5 assign (resid 40 and name HA )(resid 41 and name HN ) 3.0 1.2 0.5 assign (resid 41 and name HA# )(resid 42 and name HN ) 2.5 0.7 0.4 ! assign (resid 42 and name HA )(resid 43 and name HN ) 2.5 0.7 0.4 assign (resid 43 and name HA )(resid 44 and name HN ) 2.5 0.7 0.4 assign (resid 44 and name HA )(resid 45 and name HN ) 2.5 0.7 0.4 assign (resid 45 and name HA )(resid 46 and name HN ) 2.5 0.7 0.4 assign (resid 46 and name HA )(resid 47 and name HN ) 2.5 0.7 0.4 assign (resid 47 and name HA )(resid 48 and name HN ) 4.0 2.2 2.0 assign (resid 48 and name HA )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 49 and name HA )(resid 50 and name HN ) 3.0 1.2 0.5 assign (resid 50 and name HA )(resid 51 and name HN ) 3.0 1.2 0.5 assign (resid 51 and name HA )(resid 52 and name HN ) 2.5 0.7 0.4 assign (resid 52 and name HA )(resid 53 and name HN ) 2.5 0.7 0.4 assign (resid 53 and name HA )(resid 54 and name HN ) 2.5 0.7 0.4 assign (resid 54 and name HA )(resid 55 and name HN ) 2.5 0.7 0.4 assign (resid 55 and name HA )(resid 56 and name HN ) 2.5 0.7 0.4 NH(i)-NH(i+1) assign (resid 2 and name HN )(resid 3 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HN )(resid 9 and name HN ) 3.0 1.2 0.5 assign (resid 9 and name HN )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HN )(resid 11 and name HN ) 2.5 0.7 0.4 assign (resid 11 and name HN )(resid 12 and name HN ) 2.5 0.7 0.4 assign (resid 12 and name HN )(resid 13 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HN )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 22 and name HN ) 2.5 0.7 0.4 assign (resid 22 and name HN )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HN )(resid 24 and name HN ) 3.0 1.2 0.5 assign (resid 24 and name HN )(resid 25 and name HN ) 2.5 0.7 0.4 assign (resid 25 and name HN )(resid 26 and name HN ) 2.5 0.7 0.4 assign (resid 26 and name HN )(resid 27 and name HN ) 2.5 0.7 0.4 assign (resid 27 and name HN )(resid 28 and name HN ) 2.5 0.7 0.4 assign (resid 28 and name HN )(resid 29 and name HN ) 2.5 0.7 0.4 assign (resid 29 and name HN )(resid 30 and name HN ) 2.5 0.7 0.4 assign (resid 30 and name HN )(resid 31 and name HN ) 2.5 0.7 0.4 assign (resid 31 and name HN )(resid 32 and name HN ) 2.5 0.7 0.4 assign (resid 32 and name HN )(resid 33 and name HN ) 2.5 0.7 0.4 assign (resid 33 and name HN )(resid 34 and name HN ) 2.5 0.7 0.4 assign (resid 34 and name HN )(resid 35 and name HN ) 2.5 0.7 0.4 assign (resid 35 and name HN )(resid 36 and name HN ) 2.5 0.7 0.4 assign (resid 36 and name HN )(resid 37 and name HN ) 2.5 0.7 0.4 assign (resid 37 and name HN )(resid 38 and name HN ) 2.5 0.7 0.4 assign (resid 38 and name HN )(resid 39 and name HN ) 2.5 0.7 0.4 assign (resid 42 and name HN )(resid 43 and name HN ) 4.0 2.2 1.0 assign (resid 44 and name HN )(resid 45 and name HN ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 46 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 48 and name HN ) 3.0 1.2 0.5 assign (resid 48 and name HN )(resid 49 and name HN ) 3.0 1.2 0.5 assign (resid 49 and name HN )(resid 50 and name HN ) 2.5 0.7 0.2 assign (resid 50 and name HN )(resid 51 and name HN ) 2.5 0.7 0.4 assign (resid 51 and name HN )(resid 52 and name HN ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0 CaH-CbH assign (resid 2 and name HA )(resid 3 and name HB# ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 5 and name HB# ) 4.0 2.2 2.0 assign (resid 30 and name HA )(resid 29 and name HB ) 4.0 2.2 1.0 assign (resid 51 and name HA )(resid 52 and name HB# ) 4.0 2.2 1.0 assign (resid 52 and name HA )(resid 53 and name HB ) 4.0 2.2 1.0 assign (resid 49 and name HA )(resid 48 and name HB# ) 4.0 2.2 1.0 !# assign (resid 34 and name HA )(resid 39 and name HB ) 4.0 2.2 1.0 CaH(i)-NH(i+2) assign (resid 9 and name HA# )(resid 11 and name HN ) 4.0 2.2 2.0 ! assign (resid 20 and name HA )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HA )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HA )(resid 50 and name HN ) 4.0 2.2 1.0 CaH(i)-NH(i+3) assign (resid 23 and name HA )(resid 26 and name HN ) 3.0 1.2 0.5 assign (resid 24 and name HA )(resid 27 and name HN ) 3.0 1.2 0.5 assign (resid 26 and name HA )(resid 29 and name HN ) 3.0 1.2 0.5 assign (resid 28 and name HA )(resid 31 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HA )(resid 34 and name HN ) 3.0 1.2 0.5 assign (resid 32 and name HA )(resid 35 and name HN ) 4.0 2.2 1.0 assign (resid 33 and name HA )(resid 36 and name HN ) 3.0 1.2 0.5 assign (resid 34 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 38 and name HN ) 3.0 1.2 0.5 NH(i)-NH(i+2) assign (resid 10 and name HN )(resid 12 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HN )(resid 26 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HN )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 34 and name HN )(resid 32 and name HN ) 4.0 2.2 1.0 assign (resid 34 and name HN )(resid 36 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 39 and name HN )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HN )(resid 50 and name HN ) 4.0 2.2 1.0 assign (resid 49 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0 NH(i)-NH(i+3) assign (resid 9 and name HN )(resid 12 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 30 and name HN ) 4.0 2.2 1.0 NH(i)-NH(i+5) assign (resid 46 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0 CaH(i)-NH(i+4) assign (resid 23 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 32 and name HA )(resid 36 and name HN ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 39 and name HN ) 4.0 2.2 1.0 CaH(i)-NH(i+5) assign (resid 34 and name HA )(resid 39 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HA )(resid 51 and name HN ) 4.0 2.2 1.0 CaH(i)-CbH(i+3) assign (resid 23 and name HA )(resid 26 and name HB# ) 3.0 1.2 0.8 !# assign (resid 24 and name HA )(resid 27 and name HB# ) 3.0 1.2 0.3 assign (resid 26 and name HA )(resid 29 and name HB ) 3.0 1.2 0.3 assign (resid 28 and name HA )(resid 31 and name HB# ) 3.0 1.2 0.3 assign (resid 29 and name HA )(resid 32 and name HB# ) 3.0 1.2 0.3 assign (resid 30 and name HA )(resid 33 and name HB# ) 3.0 1.2 0.3 assign (resid 31 and name HA )(resid 34 and name HB# ) 3.0 1.2 0.3 !# assign (resid 32 and name HA )(resid 35 and name HB# ) 3.0 1.2 0.3 assign (resid 33 and name HA )(resid 36 and name HB# ) 3.0 1.2 0.3 assign (resid 34 and name HA )(resid 37 and name HB# ) 3.0 1.2 0.3 CaH(i)-CaH(i+5) assign (resid 8 and name HA )(resid 13 and name HA ) 4.0 2.2 1.0 CbH(i)-CbH(j) short range assign (resid 51 and name HB )(resid 46 and name HB# ) 3.0 1.2 0.3 CbH-NH assign (resid 49 and name HN )(resid 46 and name HB# ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 48 and name HB# ) 4.0 3.7 2.5 !# Others assign (resid 6 and name HB )(resid 7 and name HN ) 4.0 2.2 1.0 assign (resid 34 and name HB# )(resid 39 and name HN ) 4.0 2.2 1.0 ! assign (resid 37 and name HB# )(resid 39 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HB# )(resid 26 and name HB# ) 4.0 2.2 2.0 ! !# assign (resid 22 and name HB# )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HB# )(resid 22 and name HN ) 3.0 2.7 2.0 ! Thr hg2#(i) to j assign (resid 2 and name HG2# )(resid 3 and name HN ) 2.5 0.7 0.9 ! assign (resid 11 and name HG2# )(resid 12 and name HN ) 4.0 2.2 1.5 ! assign (resid 11 and name HG2# )(resid 10 and name HB# ) 4.0 2.2 1.5 ! !# assign (resid 16 and name HG2# )(resid 17 and name HA ) 4.0 2.2 2.5 ! assign (resid 16 and name HG2# )(resid 17 and name HN ) 3.0 1.2 0.9 ! assign (resid 16 and name HG2# )(resid 15 and name HA ) 4.0 2.2 1.5 ! assign (resid 16 and name HG2# )(resid 15 and name HA ) 4.0 2.2 2.5 ! assign (resid 18 and name HG2# )(resid 17 and name HA ) 4.0 2.2 2.5 ! assign (resid 18 and name HG2# )(resid 19 and name HN ) 3.0 1.2 0.9 ! assign (resid 18 and name HG2# )(resid 20 and name HN ) 4.0 2.2 1.5 ! assign (resid 18 and name HG2# )(resid 19 and name HA ) 4.0 2.2 2.5 ! assign (resid 25 and name HG2# )(resid 26 and name HN ) 4.0 2.2 1.5 ! assign (resid 25 and name HG2# )(resid 22 and name HN ) 4.0 2.2 1.5 ! assign (resid 25 and name HG2# )(resid 21 and name HN ) 4.0 2.2 1.5 ! assign (resid 49 and name HG2# )(resid 50 and name HN ) 4.0 2.2 1.5 ! assign (resid 49 and name HG2# )(resid 48 and name HB# ) 3.0 1.2 0.8 ! !# assign (resid 49 and name HG2# )(resid 48 and name HN ) 4.0 2.2 1.5 ! assign (resid 49 and name HG2# )(resid 46 and name HB# ) 4.0 2.2 2.5 ! assign (resid 51 and name HG2# )(resid 52 and name HN ) 2.5 0.7 0.9 ! assign (resid 51 and name HG2# )(resid 46 and name HB# ) 4.0 2.2 1.5 ! assign (resid 53 and name HG2# )(resid 54 and name HN ) 2.5 0.7 0.9 ! assign (resid 53 and name HG2# )(resid 55 and name HN ) 4.0 2.2 1.5 ! assign (resid 53 and name HA )(resid 54 and name HB ) 4.0 2.2 1.0 assign (resid 53 and name HA )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 55 and name HG2# )(resid 56 and name HN ) 3.0 1.2 0.9 ! Val hg(i)-Others assign (resid 54 and name HG1# )(resid 55 and name HN ) 3.0 1.2 1.0 assign (resid 54 and name HG2# )(resid 55 and name HN ) 2.5 0.7 0.9 ! assign (resid 54 and name HG2# )(resid 56 and name HG# ) 4.0 2.2 2.5 ! !# assign (resid 54 and name HG1# )(resid 56 and name HG# ) 4.0 2.2 1.5 ! !# assign (resid 39 and name HG2# )(resid 38 and name HN ) 4.0 2.2 1.5 ! assign (resid 39 and name HG1# )(resid 40 and name HA ) 4.0 2.2 1.5 ! assign (resid 39 and name HG1# )(resid 34 and name HA ) 4.0 2.2 1.5 ! assign (resid 29 and name HG2# )(resid 26 and name HA ) 3.0 1.2 0.9 ! assign (resid 29 and name HG1# )(resid 26 and name HA ) 3.0 1.2 0.9 ! assign (resid 29 and name HG2# )(resid 28 and name HA ) 4.0 2.2 1.5 ! assign (resid 29 and name HG1# )(resid 30 and name HA ) 4.0 2.2 1.5 ! assign (resid 29 and name HG1# )(resid 33 and name HB# ) 4.0 2.2 2.5 ! !# assign (resid 21 and name HG2# )(resid 22 and name HN ) 3.0 1.2 0.9 ! Ile assign (resid 6 and name HG2# )(resid 8 and name HN ) 4.0 2.2 1.5 ! assign (resid 6 and name HG2# )(resid 8 and name HB# ) 4.0 2.2 1.5 ! !# NOEs involving side chain amide groups assign (resid 37 and name HD2# )(resid 33 and name HA ) 4.0 2.2 1.0 ! assign (resid 37 and name HD2# )(resid 34 and name HA ) 4.0 2.2 2.0 ! assign (resid 37 and name HD2# )(resid 36 and name HB# ) 4.0 2.2 1.0 ! assign (resid 8 and name HD2# )(resid 6 and name HG2# ) 4.0 2.2 1.5 ! !# Aromatic NOEs assign (resid 30 and name HD# )(resid 29 and name HG1# ) 4.0 3.7 2.5 !# assign (resid 30 and name HE# )(resid 29 and name HG1# ) 4.0 3.7 3.5 !# assign (resid 30 and name HD# )(resid 27 and name HA ) 4.0 2.2 1.0 assign (resid 33 and name HD# )(resid 37 and name HD2# ) 4.0 3.2 1.0 !# assign (resid 33 and name HD# )(resid 34 and name HA ) 3.0 1.2 0.3 assign (resid 33 and name HE# )(resid 34 and name HN ) 4.0 2.2 2.0 assign (resid 33 and name HD# )(resid 34 and name HB# ) 4.0 2.2 1.5 !# assign (resid 43 and name HD1 )(resid 42 and name HA ) 4.0 2.2 1.0 assign (resid 45 and name HE# )(resid 47 and name HA ) 3.0 1.2 0.3 assign (resid 45 and name HE# )(resid 50 and name HA ) 4.0 2.2 1.0 assign (resid 45 and name HE# )(resid 50 and name HN ) 4.0 2.2 2.0 assign (resid 45 and name HE# )(resid 47 and name HB# ) 3.0 1.2 0.3 assign (resid 43 and name HE1 )(resid 40 and name HA ) 4.0 2.2 1.0 assign (resid 43 and name HE1 )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HD1 )(resid 41 and name HN ) 4.0 2.2 2.0 assign (resid 43 and name HD1 )(resid 42 and name HB# ) 4.0 2.2 1.0 assign (resid 52 and name HD# )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HD# )(resid 51 and name HG2# ) 4.0 2.2 1.5 !# assign (resid 52 and name HD# )(resid 51 and name HA ) 4.0 2.2 1.0 assign (resid 52 and name HD# )(resid 52 and name HA ) 3.0 1.2 0.3 Leu HD* assign (resid 5 and name HG )(resid 7 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HD1# )(resid 7 and name HA ) 4.0 2.2 1.5 ! assign (resid 5 and name HD1# )(resid 7 and name HG ) 4.0 2.2 1.5 ! assign (resid 5 and name HD2# )(resid 7 and name HG ) 4.0 2.2 1.5 ! assign (resid 5 and name HD2# )(resid 7 and name HD1# ) 3.0 1.2 1.3 ! !# assign (resid 5 and name HD2# )(resid 7 and name HD2# ) 3.0 1.2 1.3 ! !# assign (resid 7 and name HD2# )(resid 8 and name HN ) 4.0 2.2 1.5 ! assign (resid 7 and name HD* )(resid 8 and name HA ) 4.0 2.2 2.5 ! assign (resid 7 and name HD* )(resid 5 and name HB# ) 4.0 2.2 2.5 ! assign (resid 12 and name HD1# )(resid 13 and name HN ) 3.0 1.2 0.8 ! assign (resid 12 and name HD2# )(resid 13 and name HN ) 4.0 2.2 2.5 ! Lys assign (resid 13 and name HG# )(resid 8 and name HA ) 2.5 0.7 0.2 ! assign (resid 13 and name HD# )(resid 8 and name HA ) 4.0 2.2 1.0 ! assign (resid 13 and name HB# )(resid 8 and name HA ) 4.0 2.2 2.0 Glu assign (resid 27 and name HG# )(resid 24 and name HA ) 3.0 1.2 0.3 ! Intraresidue Ha-NH assign (resid 2 and name HN )(resid 2 and name HA ) 3.0 1.2 0.5 assign (resid 3 and name HN )(resid 3 and name HA ) 3.0 1.2 0.5 assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HN )(resid 5 and name HA ) 3.0 1.2 0.5 assign (resid 6 and name HN )(resid 6 and name HA ) 3.0 1.2 0.5 assign (resid 7 and name HN )(resid 7 and name HA ) 3.0 1.2 0.5 assign (resid 8 and name HN )(resid 8 and name HA ) 3.0 1.2 0.5 assign (resid 10 and name HN )(resid 10 and name HA ) 4.0 2.2 1.0 assign (resid 11 and name HN )(resid 11 and name HA ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HA ) 3.0 1.2 0.5 assign (resid 13 and name HN )(resid 13 and name HA ) 3.0 1.2 0.5 assign (resid 15 and name HN )(resid 15 and name HA ) 3.0 1.2 0.5 assign (resid 16 and name HN )(resid 16 and name HA ) 3.0 1.2 0.5 assign (resid 17 and name HN )(resid 17 and name HA ) 3.0 1.2 0.5 assign (resid 18 and name HN )(resid 18 and name HA ) 3.0 1.2 0.5 assign (resid 19 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 20 and name HA ) 3.0 1.2 0.5 assign (resid 21 and name HN )(resid 21 and name HA ) 3.0 1.2 0.5 assign (resid 22 and name HN )(resid 22 and name HA ) 3.0 1.2 0.5 assign (resid 23 and name HN )(resid 23 and name HA ) 3.0 1.2 0.5 assign (resid 24 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5 assign (resid 25 and name HN )(resid 25 and name HA ) 3.0 1.2 0.5 assign (resid 26 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5 assign (resid 27 and name HN )(resid 27 and name HA ) 2.5 0.7 0.4 assign (resid 28 and name HN )(resid 28 and name HA ) 3.0 1.2 0.5 assign (resid 29 and name HN )(resid 29 and name HA ) 3.0 1.2 0.5 assign (resid 30 and name HN )(resid 30 and name HA ) 3.0 1.2 0.5 assign (resid 31 and name HN )(resid 31 and name HA ) 3.0 1.2 0.5 assign (resid 32 and name HN )(resid 32 and name HA ) 3.0 1.2 0.5 assign (resid 33 and name HN )(resid 33 and name HA ) 2.5 0.7 0.4 assign (resid 34 and name HN )(resid 34 and name HA ) 2.5 0.7 0.4 assign (resid 35 and name HN )(resid 35 and name HA ) 3.0 1.2 0.5 assign (resid 36 and name HN )(resid 36 and name HA ) 2.5 0.7 0.4 assign (resid 37 and name HN )(resid 37 and name HA ) 3.0 1.2 0.5 assign (resid 39 and name HN )(resid 39 and name HA ) 3.0 1.2 0.5 assign (resid 40 and name HN )(resid 40 and name HA ) 3.0 1.2 0.5 assign (resid 42 and name HN )(resid 42 and name HA ) 3.0 1.2 0.5 assign (resid 43 and name HN )(resid 43 and name HA ) 3.0 1.2 0.5 assign (resid 44 and name HN )(resid 44 and name HA ) 3.0 1.2 0.5 assign (resid 45 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 46 and name HN )(resid 46 and name HA ) 3.0 1.2 0.5 assign (resid 47 and name HN )(resid 47 and name HA ) 3.0 1.2 0.5 assign (resid 48 and name HN )(resid 48 and name HA ) 4.0 2.2 1.0 assign (resid 49 and name HN )(resid 49 and name HA ) 4.0 2.2 1.0 assign (resid 50 and name HN )(resid 50 and name HA ) 2.5 0.7 0.4 assign (resid 51 and name HN )(resid 51 and name HA ) 3.0 1.2 0.5 assign (resid 52 and name HN )(resid 52 and name HA ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 53 and name HA ) 3.0 1.2 0.5 assign (resid 54 and name HN )(resid 54 and name HA ) 3.0 1.2 0.5 assign (resid 55 and name HN )(resid 55 and name HA ) 3.0 1.2 0.5 assign (resid 56 and name HN )(resid 56 and name HA ) 3.0 1.2 0.5 Ha-Hn Gly assign (resid 9 and name HA# )(resid 9 and name HN ) 2.5 0.7 0.4 ! assign (resid 14 and name HA# )(resid 14 and name HN ) 3.0 1.2 0.5 ! assign (resid 38 and name HA# )(resid 38 and name HN ) 2.5 0.7 0.4 ! assign (resid 41 and name HA# )(resid 41 and name HN ) 2.5 0.7 0.4 ! NH-CbH assign (resid 2 and name HN )(resid 2 and name HB ) 2.5 0.7 0.4 assign (resid 3 and name HN )(resid 3 and name HB# ) 3.0 1.2 0.5 assign (resid 4 and name HN )(resid 4 and name HB# ) 2.5 0.7 0.4 assign (resid 5 and name HN )(resid 5 and name HB# ) 2.5 0.7 0.4 assign (resid 6 and name HN )(resid 6 and name HB ) 3.0 1.2 0.5 assign (resid 7 and name HN )(resid 7 and name HB# ) 2.5 0.7 0.4 assign (resid 8 and name HN )(resid 8 and name HB# ) 3.0 1.2 0.5 !# assign (resid 10 and name HN )(resid 10 and name HB# ) 3.0 1.2 0.5 !# assign (resid 11 and name HN )(resid 11 and name HB ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HB# ) 3.0 1.2 0.5 assign (resid 13 and name HN )(resid 13 and name HB# ) 2.5 0.7 0.4 assign (resid 15 and name HN )(resid 15 and name HB# ) 3.0 1.2 0.5 !# assign (resid 16 and name HN )(resid 16 and name HB ) 3.0 1.2 0.5 assign (resid 17 and name HN )(resid 17 and name HB ) 4.0 2.2 1.0 assign (resid 18 and name HN )(resid 18 and name HB ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 20 and name HB# ) 3.0 1.2 0.5 !# assign (resid 21 and name HN )(resid 21 and name HB ) 4.0 2.2 1.0 assign (resid 22 and name HN )(resid 22 and name HB# ) 3.0 1.2 0.5 assign (resid 23 and name HN )(resid 23 and name HB# ) 3.0 1.2 0.5 !# assign (resid 24 and name HN )(resid 24 and name HB# ) 3.0 1.2 0.5 !# assign (resid 25 and name HN )(resid 25 and name HB ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 26 and name HB# ) 3.0 1.2 0.5 !# assign (resid 27 and name HN )(resid 27 and name HB# ) 2.5 0.7 0.4 assign (resid 28 and name HN )(resid 28 and name HB# ) 3.0 1.2 0.5 !# assign (resid 29 and name HN )(resid 29 and name HB ) 2.5 0.7 0.4 assign (resid 30 and name HN )(resid 30 and name HB# ) 2.5 0.7 0.4 assign (resid 31 and name HN )(resid 31 and name HB# ) 2.5 0.7 0.4 assign (resid 32 and name HN )(resid 32 and name HB# ) 2.5 0.7 0.4 assign (resid 33 and name HN )(resid 33 and name HB# ) 3.0 1.2 0.5 !# assign (resid 34 and name HN )(resid 34 and name HB# ) 2.5 0.7 0.4 !# assign (resid 35 and name HN )(resid 35 and name HB# ) 3.0 1.2 0.5 !# assign (resid 36 and name HN )(resid 36 and name HB# ) 2.5 0.7 0.4 assign (resid 37 and name HN )(resid 37 and name HB# ) 2.5 0.7 0.4 assign (resid 39 and name HN )(resid 39 and name HB ) 2.5 0.7 0.4 assign (resid 40 and name HN )(resid 40 and name HB# ) 3.0 1.2 0.5 assign (resid 42 and name HN )(resid 42 and name HB# ) 2.5 0.7 0.4 assign (resid 43 and name HN )(resid 43 and name HB# ) 2.5 0.7 0.4 assign (resid 44 and name HN )(resid 44 and name HB ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 45 and name HB# ) 2.5 0.7 0.4 assign (resid 46 and name HN )(resid 46 and name HB# ) 3.0 1.2 0.5 assign (resid 47 and name HN )(resid 47 and name HB# ) 3.0 1.2 0.5 assign (resid 48 and name HN )(resid 48 and name HB# ) 3.0 1.2 0.5 !# assign (resid 50 and name HN )(resid 50 and name HB# ) 4.0 2.2 1.0 assign (resid 51 and name HN )(resid 51 and name HB ) 2.5 0.7 0.4 assign (resid 52 and name HN )(resid 52 and name HB# ) 2.5 0.7 0.4 !# assign (resid 53 and name HN )(resid 53 and name HB ) 2.5 0.7 0.4 assign (resid 54 and name HN )(resid 54 and name HB ) 3.0 1.2 0.5 assign (resid 55 and name HN )(resid 55 and name HB ) 2.5 0.7 0.4 assign (resid 56 and name HN )(resid 56 and name HB# ) 3.0 1.2 0.5 !# Val-methyl to ha and hn assign (resid 21 and name HN )(resid 21 and name HG* ) 3.0 1.2 1.5 !# assign (resid 21 and name HA )(resid 21 and name HG* ) 3.0 1.2 1.3 !# assign (resid 29 and name HA )(resid 29 and name HG2# ) 2.5 0.7 0.7 !# assign (resid 29 and name HA )(resid 29 and name HG1# ) 3.0 1.2 0.8 !# assign (resid 29 and name HN )(resid 29 and name HG2# ) 2.5 0.7 0.9 !# assign (resid 29 and name HN )(resid 29 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 39 and name HA )(resid 39 and name HG1# ) 2.5 0.7 0.9 !# assign (resid 39 and name HA )(resid 39 and name HG2# ) 3.0 1.2 0.8 !# assign (resid 39 and name HN )(resid 39 and name HG2# ) 2.5 0.7 0.9 !# assign (resid 39 and name HN )(resid 39 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 54 and name HA )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# assign (resid 54 and name HA )(resid 54 and name HG2# ) 2.5 0.7 0.7 !# assign (resid 54 and name HN )(resid 54 and name HG1# ) 2.5 0.7 0.9 !# assign (resid 54 and name HN )(resid 54 and name HG2# ) 4.0 2.2 1.5 !# Thr assign (resid 2 and name HG2# )(resid 2 and name HA ) 3.0 1.2 0.8 ! assign (resid 11 and name HG2# )(resid 11 and name HA ) 2.5 0.7 0.7 ! assign (resid 16 and name HG2# )(resid 16 and name HA ) 3.0 1.2 0.8 ! assign (resid 17 and name HG2# )(resid 17 and name HA ) 2.5 0.7 0.5 ! assign (resid 18 and name HG2# )(resid 18 and name HA ) 4.0 2.2 1.5 ! assign (resid 25 and name HG2# )(resid 25 and name HA ) 2.5 0.7 0.7 ! assign (resid 44 and name HG2# )(resid 44 and name HA ) 2.5 0.7 0.7 ! assign (resid 51 and name HG2# )(resid 51 and name HA ) 2.5 0.7 0.7 ! assign (resid 53 and name HG2# )(resid 53 and name HA ) 2.5 0.7 0.7 ! assign (resid 55 and name HG2# )(resid 55 and name HA ) 4.0 2.3 1.5 ! assign (resid 2 and name HG2# )(resid 2 and name HN ) 4.0 2.2 1.5 ! assign (resid 11 and name HG2# )(resid 11 and name HN ) 3.0 1.2 0.8 ! assign (resid 16 and name HG2# )(resid 16 and name HN ) 3.0 1.2 0.8 ! assign (resid 17 and name HG2# )(resid 17 and name HN ) 3.0 1.2 0.8 ! assign (resid 18 and name HG2# )(resid 18 and name HN ) 3.0 1.2 0.8 ! assign (resid 25 and name HG2# )(resid 25 and name HN ) 4.0 2.2 1.5 ! assign (resid 44 and name HG2# )(resid 44 and name HN ) 3.0 1.2 0.8 ! assign (resid 49 and name HG2# )(resid 49 and name HN ) 3.0 1.2 0.8 ! assign (resid 51 and name HG2# )(resid 51 and name HN ) 4.0 2.2 1.5 ! assign (resid 53 and name HG2# )(resid 53 and name HN ) 4.0 2.2 1.5 ! assign (resid 55 and name HG2# )(resid 55 and name HN ) 4.0 2.2 1.5 ! Glu assign (resid 15 and name HN )(resid 15 and name HG# ) 4.0 2.2 1.0 !# assign (resid 15 and name HA )(resid 15 and name HG# ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 19 and name HG# ) 4.0 2.2 2.0 !# assign (resid 19 and name HA )(resid 19 and name HG# ) 4.0 2.2 1.9 !# assign (resid 27 and name HA )(resid 27 and name HG# ) 2.5 0.7 0.4 !# assign (resid 27 and name HN )(resid 27 and name HG# ) 4.0 2.2 1.0 !# assign (resid 42 and name HN )(resid 42 and name HG# ) 4.0 2.2 2.0 !# assign (resid 56 and name HN )(resid 56 and name HG# ) 4.0 2.2 1.0 !# assign (resid 56 and name HA )(resid 56 and name HG# ) 2.5 0.7 0.2 !# Met assign (resid 1 and name HA )(resid 1 and name HG# ) 3.0 1.2 0.3 !# Leu assign (resid 5 and name HA )(resid 5 and name HD2# ) 4.0 2.2 2.5 !# assign (resid 5 and name HA )(resid 5 and name HD1# ) 2.5 2.2 0.7 !# assign (resid 5 and name HA )(resid 5 and name HG ) 4.0 2.2 1.0 assign (resid 5 and name HN )(resid 5 and name HD2# ) 4.0 2.2 2.5 !# assign (resid 5 and name HN )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# assign (resid 7 and name HA )(resid 7 and name HG ) 3.0 1.2 0.3 assign (resid 7 and name HN )(resid 7 and name HG ) 3.0 1.2 0.3 assign (resid 7 and name HA )(resid 7 and name HD2# ) 2.5 0.7 0.7 !# assign (resid 7 and name HN )(resid 7 and name HD1# ) 3.0 1.2 0.9 !# assign (resid 12 and name HD1# )(resid 12 and name HA ) 3.0 1.2 0.8 ! assign (resid 12 and name HD2# )(resid 12 and name HA ) 4.0 2.2 2.5 ! Ile assign (resid 6 and name HN )(resid 6 and name HG1# ) 3.0 1.2 0.3 !# assign (resid 6 and name HN )(resid 6 and name HG2# ) 4.0 2.2 1.5 !# assign (resid 6 and name HA )(resid 6 and name HG2# ) 2.5 0.7 0.9 !# assign (resid 6 and name HA )(resid 6 and name HD# ) 4.0 1.2 1.5 !# assign (resid 6 and name HA )(resid 6 and name HG1# ) 3.0 1.2 0.3 !# assign (resid 6 and name HB )(resid 6 and name HD# ) 3.0 1.2 0.8 !# Lys assign (resid 4 and name HA )(resid 4 and name HG# ) 2.5 0.7 0.2 !# assign (resid 10 and name HN )(resid 10 and name HG# ) 4.0 2.2 1.0 !# assign (resid 10 and name HN )(resid 10 and name HD# ) 4.0 2.2 1.0 !# assign (resid 13 and name HN )(resid 13 and name HG# ) 3.0 1.2 0.5 !# assign (resid 13 and name HA )(resid 13 and name HG# ) 2.5 0.7 0.2 !# assign (resid 28 and name HN )(resid 28 and name HG# ) 4.0 2.2 1.0 !# assign (resid 28 and name HA )(resid 28 and name HG# ) 3.0 1.2 0.3 !# assign (resid 31 and name HN )(resid 31 and name HG# ) 4.0 2.2 1.0 !# assign (resid 31 and name HA )(resid 31 and name HG# ) 3.0 1.2 0.3 assign (resid 31 and name HA )(resid 31 and name HD# ) 4.0 2.2 1.0 !# assign (resid 31 and name HN )(resid 31 and name HG# ) 4.0 2.2 1.0 !# assign (resid 50 and name HN )(resid 50 and name HG# ) 4.0 2.2 1.0 !# assign (resid 50 and name HN )(resid 50 and name HD# ) 4.0 2.2 1.0 !# assign (resid 50 and name HA )(resid 50 and name HG# ) 3.0 1.2 0.3 !# assign (resid 50 and name HA )(resid 50 and name HD# ) 4.0 2.2 1.0 !# assign (resid 50 and name HG# )(resid 50 and name HE# ) 4.0 2.2 2.0 ! !# Gln and Asn side chain amides assign (resid 32 and name HA )(resid 32 and name HE2# ) 4.0 3.2 2.0 !# assign (resid 35 and name HA )(resid 35 and name HD2# ) 4.0 3.2 1.0 !# ; 3 1 732 80 parsed_2m7x 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2m7x _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_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 ; hbonds assign (resid 20 and name N )(resid 1 and name O ) 3.3 0.8 0.2 assign (resid 3 and name N )(resid 18 and name O ) 3.3 0.8 0.2 assign (resid 18 and name N )(resid 3 and name O ) 3.3 0.8 0.2 assign (resid 5 and name N )(resid 16 and name O ) 3.3 0.8 0.2 assign (resid 16 and name N )(resid 5 and name O ) 3.3 0.8 0.2 assign (resid 7 and name N )(resid 14 and name O ) 3.3 0.8 0.2 assign (resid 14 and name N )(resid 7 and name O ) 3.3 0.8 0.2 assign (resid 9 and name N )(resid 12 and name O ) 3.3 0.8 0.2 !assign (resid 12 and name N )(resid 9 and name O ) 3.3 0.8 0.2 assign (resid 4 and name N )(resid 50 and name O ) 3.3 0.8 0.2 assign (resid 52 and name N )(resid 4 and name O ) 3.3 0.8 0.2 assign (resid 6 and name N )(resid 52 and name O ) 3.3 0.8 0.2 assign (resid 54 and name N )(resid 6 and name O ) 3.3 0.8 0.2 assign (resid 8 and name N )(resid 54 and name O ) 3.3 0.8 0.2 assign (resid 42 and name N )(resid 55 and name O ) 3.3 0.8 0.2 assign (resid 55 and name N )(resid 42 and name O ) 3.3 0.8 0.2 assign (resid 44 and name N )(resid 53 and name O ) 3.3 0.8 0.2 assign (resid 53 and name N )(resid 44 and name O ) 3.3 0.8 0.2 assign (resid 46 and name N )(resid 51 and name O ) 3.3 0.8 0.2 assign (resid 50 and name N )(resid 46 and name O ) 3.3 0.8 0.2 assign (resid 51 and name N )(resid 46 and name O ) 3.3 0.8 0.2 assign (resid 22 and name O )(resid 26 and name N ) 3.3 0.8 0.2 assign (resid 23 and name O )(resid 27 and name N ) 3.3 0.8 0.2 !assign (resid 24 and name O )(resid 28 and name N ) 3.3 0.8 0.2 assign (resid 25 and name O )(resid 29 and name N ) 3.3 0.8 0.2 assign (resid 26 and name O )(resid 30 and name N ) 3.3 0.8 0.2 assign (resid 27 and name O )(resid 31 and name N ) 3.3 0.8 0.2 assign (resid 28 and name O )(resid 32 and name N ) 3.3 0.8 0.2 assign (resid 29 and name O )(resid 33 and name N ) 3.3 0.8 0.2 assign (resid 30 and name O )(resid 34 and name N ) 3.3 0.8 0.2 assign (resid 31 and name O )(resid 35 and name N ) 3.3 0.8 0.2 assign (resid 34 and name O )(resid 39 and name N ) 3.3 0.8 0.2 assign (resid 22 and name OD# )(resid 25 and name N ) 3.3 0.8 0.2 assign (resid 20 and name HN )(resid 1 and name O ) 2.3 0.8 0.2 assign (resid 3 and name HN )(resid 18 and name O ) 2.3 0.8 0.2 assign (resid 18 and name HN )(resid 3 and name O ) 2.3 0.8 0.2 assign (resid 5 and name HN )(resid 16 and name O ) 2.3 0.8 0.2 assign (resid 16 and name HN )(resid 5 and name O ) 2.3 0.8 0.2 assign (resid 7 and name HN )(resid 14 and name O ) 2.3 0.8 0.2 assign (resid 14 and name HN )(resid 7 and name O ) 2.3 0.8 0.2 assign (resid 9 and name HN )(resid 12 and name O ) 2.3 0.8 0.2 !assign (resid 12 and name HN )(resid 9 and name O ) 2.3 0.8 0.2 assign (resid 4 and name HN )(resid 50 and name O ) 2.3 0.8 0.2 assign (resid 52 and name HN )(resid 4 and name O ) 2.3 0.8 0.2 assign (resid 6 and name HN )(resid 52 and name O ) 2.3 0.8 0.2 assign (resid 54 and name HN )(resid 6 and name O ) 2.3 0.8 0.2 assign (resid 8 and name HN )(resid 54 and name O ) 2.3 0.8 0.2 assign (resid 42 and name HN )(resid 55 and name O ) 2.3 0.8 0.2 assign (resid 55 and name HN )(resid 42 and name O ) 2.3 0.8 0.2 assign (resid 44 and name HN )(resid 53 and name O ) 2.3 0.8 0.2 assign (resid 53 and name HN )(resid 44 and name O ) 2.3 0.8 0.2 assign (resid 46 and name HN )(resid 51 and name O ) 2.3 0.8 0.2 assign (resid 50 and name HN )(resid 46 and name O ) 2.3 0.8 0.2 assign (resid 51 and name HN )(resid 46 and name O ) 2.3 0.8 0.2 assign (resid 22 and name O )(resid 26 and name HN ) 2.3 0.8 0.2 assign (resid 23 and name O )(resid 27 and name HN ) 2.3 0.8 0.2 !assign (resid 24 and name O )(resid 28 and name HN ) 2.3 0.8 0.2 assign (resid 25 and name O )(resid 29 and name HN ) 2.3 0.8 0.2 assign (resid 26 and name O )(resid 30 and name HN ) 2.3 0.8 0.2 assign (resid 27 and name O )(resid 31 and name HN ) 2.3 0.8 0.2 assign (resid 28 and name O )(resid 32 and name HN ) 2.3 0.8 0.2 assign (resid 29 and name O )(resid 33 and name HN ) 2.3 0.8 0.2 assign (resid 30 and name O )(resid 34 and name HN ) 2.3 0.8 0.2 assign (resid 31 and name O )(resid 35 and name HN ) 2.3 0.8 0.2 assign (resid 34 and name O )(resid 39 and name HN ) 2.3 0.8 0.2 assign (resid 22 and name OD# )(resid 25 and name HN ) 2.3 0.8 0.2 assign (resid 46 and name OD# )(resid 48 and name HN ) 2.3 0.8 0.2 assign (resid 46 and name OD# )(resid 48 and name N ) 3.3 0.8 0.2 ; 1 1 70 77 parsed_2m7x 2 2 ; echo=true wrnlev=5 ; 71 1 72 16 parsed_2m7x 2 stop_ save_
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