data_15717 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15717 _Entry.Title ; SOLUTION STRUCTURE OF A CYANOBACTERIAL PHYTOCHROME GAF DOMAIN IN THE RED LIGHT-ABSORBING GROUND STATE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-04 _Entry.Accession_date 2008-04-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Claudia Cornilescu . C. . 15717 2 Gabriel Cornilescu . . . 15717 3 Andrew Ulijasz . T. . 15717 4 Richard Vierstra . D. . 15717 5 John Markley . L. . 15717 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15717 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bacteriophytochrome . 15717 'cyanobacterial phytochrome' . 15717 'GAF DOMAIN' . 15717 PCB . 15717 phycocyanobilin . 15717 phytochrome . 15717 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15717 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 587 15717 '15N chemical shifts' 148 15717 '1H chemical shifts' 755 15717 'residual dipolar couplings' 250 15717 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2011-11-23 2008-04-04 update author 'update sequence, and add rdc' 15717 3 . . 2010-06-02 2008-04-04 update BMRB 'edit assembly name' 15717 2 . . 2008-12-16 2008-04-04 update BMRB 'complete entry citation' 15717 1 . . 2008-09-12 2008-04-04 original author 'original release' 15717 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LB9 'BMRB Entry Tracking System' 15717 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15717 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18762196 _Citation.Full_citation . _Citation.Title 'SOLUTION STRUCTURE OF A CYANOBACTERIAL PHYTOCHROME GAF DOMAIN IN THE RED LIGHT-ABSORBING GROUND STATE' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 383 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 403 _Citation.Page_last 413 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gabriel Cornilescu . . . 15717 1 2 Andrew Ulijasz . T. . 15717 1 3 Claudia Cornilescu . C. . 15717 1 4 John Markley . L. . 15717 1 5 Richard Vierstra . D. . 15717 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15717 _Assembly.ID 1 _Assembly.Name 'CYANOBACTERIAL PHYTOCHROME GAF' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SyB-Cph1(GAF) 1 $SyB-Cph1(GAF) A . yes native no no . . . 15717 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SyB-Cph1(GAF) _Entity.Sf_category entity _Entity.Sf_framecode SyB-Cph1(GAF) _Entity.Entry_ID 15717 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SyB-Cph1(GAF) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDTETWAAAARPSRDALINR ITHQIRQSLELDQILRATVE EVRAFLGTDRVKVYRFDPEG HGTVVAEARGGERLPSLLGL TFPAGDIPEEARRLFRLAQV RVIVDVEAQSRSISQPESWG LSARVPLGEPLQRPVDPXHV HYLKSMGVASSLVVPLMHHQ ELWGLLVSHHAEPRPYSQEE LQVVQLLADQVSIAIAQAEL SLHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 208 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19825.713 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K2N . "Solution Structure Of A Cyanobacterial Phytochrome Gaf Domain In The Red Light-Absorbing Ground State" . . . . . 82.69 172 99.42 99.42 8.73e-115 . . . . 15717 1 2 no PDB 2KLI . "Structural Basis For The Photoconversion Of A Phytochrome To The Activated Far-Red Light-Absorbing Form" . . . . . 82.69 172 99.42 99.42 8.73e-115 . . . . 15717 1 3 no PDB 2KOI . "Refined Solution Structure Of A Cyanobacterial Phytochrome Gaf Domain In The Red Light-Absorbing Ground State" . . . . . 82.69 172 99.42 99.42 8.73e-115 . . . . 15717 1 4 no PDB 2LB5 . "Refined Structural Basis For The Photoconversion Of A Phytochrome To The Activated Far-red Light-absorbing Form" . . . . . 100.00 208 99.52 99.52 2.08e-143 . . . . 15717 1 5 no PDB 2LB9 . "Refined Solution Structure Of A Cyanobacterial Phytochrome Gaf Domain In The Red Light-absorbing Ground State (corrected Pyrrol" . . . . . 100.00 208 99.52 99.52 2.08e-143 . . . . 15717 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15717 1 2 . ASP . 15717 1 3 . THR . 15717 1 4 . GLU . 15717 1 5 . THR . 15717 1 6 . TRP . 15717 1 7 . ALA . 15717 1 8 . ALA . 15717 1 9 . ALA . 15717 1 10 . ALA . 15717 1 11 . ARG . 15717 1 12 . PRO . 15717 1 13 . SER . 15717 1 14 . ARG . 15717 1 15 . ASP . 15717 1 16 . ALA . 15717 1 17 . LEU . 15717 1 18 . ILE . 15717 1 19 . ASN . 15717 1 20 . ARG . 15717 1 21 . ILE . 15717 1 22 . THR . 15717 1 23 . HIS . 15717 1 24 . GLN . 15717 1 25 . ILE . 15717 1 26 . ARG . 15717 1 27 . GLN . 15717 1 28 . SER . 15717 1 29 . LEU . 15717 1 30 . GLU . 15717 1 31 . LEU . 15717 1 32 . ASP . 15717 1 33 . GLN . 15717 1 34 . ILE . 15717 1 35 . LEU . 15717 1 36 . ARG . 15717 1 37 . ALA . 15717 1 38 . THR . 15717 1 39 . VAL . 15717 1 40 . GLU . 15717 1 41 . GLU . 15717 1 42 . VAL . 15717 1 43 . ARG . 15717 1 44 . ALA . 15717 1 45 . PHE . 15717 1 46 . LEU . 15717 1 47 . GLY . 15717 1 48 . THR . 15717 1 49 . ASP . 15717 1 50 . ARG . 15717 1 51 . VAL . 15717 1 52 . LYS . 15717 1 53 . VAL . 15717 1 54 . TYR . 15717 1 55 . ARG . 15717 1 56 . PHE . 15717 1 57 . ASP . 15717 1 58 . PRO . 15717 1 59 . GLU . 15717 1 60 . GLY . 15717 1 61 . HIS . 15717 1 62 . GLY . 15717 1 63 . THR . 15717 1 64 . VAL . 15717 1 65 . VAL . 15717 1 66 . ALA . 15717 1 67 . GLU . 15717 1 68 . ALA . 15717 1 69 . ARG . 15717 1 70 . GLY . 15717 1 71 . GLY . 15717 1 72 . GLU . 15717 1 73 . ARG . 15717 1 74 . LEU . 15717 1 75 . PRO . 15717 1 76 . SER . 15717 1 77 . LEU . 15717 1 78 . LEU . 15717 1 79 . GLY . 15717 1 80 . LEU . 15717 1 81 . THR . 15717 1 82 . PHE . 15717 1 83 . PRO . 15717 1 84 . ALA . 15717 1 85 . GLY . 15717 1 86 . ASP . 15717 1 87 . ILE . 15717 1 88 . PRO . 15717 1 89 . GLU . 15717 1 90 . GLU . 15717 1 91 . ALA . 15717 1 92 . ARG . 15717 1 93 . ARG . 15717 1 94 . LEU . 15717 1 95 . PHE . 15717 1 96 . ARG . 15717 1 97 . LEU . 15717 1 98 . ALA . 15717 1 99 . GLN . 15717 1 100 . VAL . 15717 1 101 . ARG . 15717 1 102 . VAL . 15717 1 103 . ILE . 15717 1 104 . VAL . 15717 1 105 . ASP . 15717 1 106 . VAL . 15717 1 107 . GLU . 15717 1 108 . ALA . 15717 1 109 . GLN . 15717 1 110 . SER . 15717 1 111 . ARG . 15717 1 112 . SER . 15717 1 113 . ILE . 15717 1 114 . SER . 15717 1 115 . GLN . 15717 1 116 . PRO . 15717 1 117 . GLU . 15717 1 118 . SER . 15717 1 119 . TRP . 15717 1 120 . GLY . 15717 1 121 . LEU . 15717 1 122 . SER . 15717 1 123 . ALA . 15717 1 124 . ARG . 15717 1 125 . VAL . 15717 1 126 . PRO . 15717 1 127 . LEU . 15717 1 128 . GLY . 15717 1 129 . GLU . 15717 1 130 . PRO . 15717 1 131 . LEU . 15717 1 132 . GLN . 15717 1 133 . ARG . 15717 1 134 . PRO . 15717 1 135 . VAL . 15717 1 136 . ASP . 15717 1 137 . PRO . 15717 1 138 . CYC . 15717 1 139 . HIS . 15717 1 140 . VAL . 15717 1 141 . HIS . 15717 1 142 . TYR . 15717 1 143 . LEU . 15717 1 144 . LYS . 15717 1 145 . SER . 15717 1 146 . MET . 15717 1 147 . GLY . 15717 1 148 . VAL . 15717 1 149 . ALA . 15717 1 150 . SER . 15717 1 151 . SER . 15717 1 152 . LEU . 15717 1 153 . VAL . 15717 1 154 . VAL . 15717 1 155 . PRO . 15717 1 156 . LEU . 15717 1 157 . MET . 15717 1 158 . HIS . 15717 1 159 . HIS . 15717 1 160 . GLN . 15717 1 161 . GLU . 15717 1 162 . LEU . 15717 1 163 . TRP . 15717 1 164 . GLY . 15717 1 165 . LEU . 15717 1 166 . LEU . 15717 1 167 . VAL . 15717 1 168 . SER . 15717 1 169 . HIS . 15717 1 170 . HIS . 15717 1 171 . ALA . 15717 1 172 . GLU . 15717 1 173 . PRO . 15717 1 174 . ARG . 15717 1 175 . PRO . 15717 1 176 . TYR . 15717 1 177 . SER . 15717 1 178 . GLN . 15717 1 179 . GLU . 15717 1 180 . GLU . 15717 1 181 . LEU . 15717 1 182 . GLN . 15717 1 183 . VAL . 15717 1 184 . VAL . 15717 1 185 . GLN . 15717 1 186 . LEU . 15717 1 187 . LEU . 15717 1 188 . ALA . 15717 1 189 . ASP . 15717 1 190 . GLN . 15717 1 191 . VAL . 15717 1 192 . SER . 15717 1 193 . ILE . 15717 1 194 . ALA . 15717 1 195 . ILE . 15717 1 196 . ALA . 15717 1 197 . GLN . 15717 1 198 . ALA . 15717 1 199 . GLU . 15717 1 200 . LEU . 15717 1 201 . SER . 15717 1 202 . LEU . 15717 1 203 . HIS . 15717 1 204 . HIS . 15717 1 205 . HIS . 15717 1 206 . HIS . 15717 1 207 . HIS . 15717 1 208 . HIS . 15717 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15717 1 . ASP 2 2 15717 1 . THR 3 3 15717 1 . GLU 4 4 15717 1 . THR 5 5 15717 1 . TRP 6 6 15717 1 . ALA 7 7 15717 1 . ALA 8 8 15717 1 . ALA 9 9 15717 1 . ALA 10 10 15717 1 . ARG 11 11 15717 1 . PRO 12 12 15717 1 . SER 13 13 15717 1 . ARG 14 14 15717 1 . ASP 15 15 15717 1 . ALA 16 16 15717 1 . LEU 17 17 15717 1 . ILE 18 18 15717 1 . ASN 19 19 15717 1 . ARG 20 20 15717 1 . ILE 21 21 15717 1 . THR 22 22 15717 1 . HIS 23 23 15717 1 . GLN 24 24 15717 1 . ILE 25 25 15717 1 . ARG 26 26 15717 1 . GLN 27 27 15717 1 . SER 28 28 15717 1 . LEU 29 29 15717 1 . GLU 30 30 15717 1 . LEU 31 31 15717 1 . ASP 32 32 15717 1 . GLN 33 33 15717 1 . ILE 34 34 15717 1 . LEU 35 35 15717 1 . ARG 36 36 15717 1 . ALA 37 37 15717 1 . THR 38 38 15717 1 . VAL 39 39 15717 1 . GLU 40 40 15717 1 . GLU 41 41 15717 1 . VAL 42 42 15717 1 . ARG 43 43 15717 1 . ALA 44 44 15717 1 . PHE 45 45 15717 1 . LEU 46 46 15717 1 . GLY 47 47 15717 1 . THR 48 48 15717 1 . ASP 49 49 15717 1 . ARG 50 50 15717 1 . VAL 51 51 15717 1 . LYS 52 52 15717 1 . VAL 53 53 15717 1 . TYR 54 54 15717 1 . ARG 55 55 15717 1 . PHE 56 56 15717 1 . ASP 57 57 15717 1 . PRO 58 58 15717 1 . GLU 59 59 15717 1 . GLY 60 60 15717 1 . HIS 61 61 15717 1 . GLY 62 62 15717 1 . THR 63 63 15717 1 . VAL 64 64 15717 1 . VAL 65 65 15717 1 . ALA 66 66 15717 1 . GLU 67 67 15717 1 . ALA 68 68 15717 1 . ARG 69 69 15717 1 . GLY 70 70 15717 1 . GLY 71 71 15717 1 . GLU 72 72 15717 1 . ARG 73 73 15717 1 . LEU 74 74 15717 1 . PRO 75 75 15717 1 . SER 76 76 15717 1 . LEU 77 77 15717 1 . LEU 78 78 15717 1 . GLY 79 79 15717 1 . LEU 80 80 15717 1 . THR 81 81 15717 1 . PHE 82 82 15717 1 . PRO 83 83 15717 1 . ALA 84 84 15717 1 . GLY 85 85 15717 1 . ASP 86 86 15717 1 . ILE 87 87 15717 1 . PRO 88 88 15717 1 . GLU 89 89 15717 1 . GLU 90 90 15717 1 . ALA 91 91 15717 1 . ARG 92 92 15717 1 . ARG 93 93 15717 1 . LEU 94 94 15717 1 . PHE 95 95 15717 1 . ARG 96 96 15717 1 . LEU 97 97 15717 1 . ALA 98 98 15717 1 . GLN 99 99 15717 1 . VAL 100 100 15717 1 . ARG 101 101 15717 1 . VAL 102 102 15717 1 . ILE 103 103 15717 1 . VAL 104 104 15717 1 . ASP 105 105 15717 1 . VAL 106 106 15717 1 . GLU 107 107 15717 1 . ALA 108 108 15717 1 . GLN 109 109 15717 1 . SER 110 110 15717 1 . ARG 111 111 15717 1 . SER 112 112 15717 1 . ILE 113 113 15717 1 . SER 114 114 15717 1 . GLN 115 115 15717 1 . PRO 116 116 15717 1 . GLU 117 117 15717 1 . SER 118 118 15717 1 . TRP 119 119 15717 1 . GLY 120 120 15717 1 . LEU 121 121 15717 1 . SER 122 122 15717 1 . ALA 123 123 15717 1 . ARG 124 124 15717 1 . VAL 125 125 15717 1 . PRO 126 126 15717 1 . LEU 127 127 15717 1 . GLY 128 128 15717 1 . GLU 129 129 15717 1 . PRO 130 130 15717 1 . LEU 131 131 15717 1 . GLN 132 132 15717 1 . ARG 133 133 15717 1 . PRO 134 134 15717 1 . VAL 135 135 15717 1 . ASP 136 136 15717 1 . PRO 137 137 15717 1 . CYC 138 138 15717 1 . HIS 139 139 15717 1 . VAL 140 140 15717 1 . HIS 141 141 15717 1 . TYR 142 142 15717 1 . LEU 143 143 15717 1 . LYS 144 144 15717 1 . SER 145 145 15717 1 . MET 146 146 15717 1 . GLY 147 147 15717 1 . VAL 148 148 15717 1 . ALA 149 149 15717 1 . SER 150 150 15717 1 . SER 151 151 15717 1 . LEU 152 152 15717 1 . VAL 153 153 15717 1 . VAL 154 154 15717 1 . PRO 155 155 15717 1 . LEU 156 156 15717 1 . MET 157 157 15717 1 . HIS 158 158 15717 1 . HIS 159 159 15717 1 . GLN 160 160 15717 1 . GLU 161 161 15717 1 . LEU 162 162 15717 1 . TRP 163 163 15717 1 . GLY 164 164 15717 1 . LEU 165 165 15717 1 . LEU 166 166 15717 1 . VAL 167 167 15717 1 . SER 168 168 15717 1 . HIS 169 169 15717 1 . HIS 170 170 15717 1 . ALA 171 171 15717 1 . GLU 172 172 15717 1 . PRO 173 173 15717 1 . ARG 174 174 15717 1 . PRO 175 175 15717 1 . TYR 176 176 15717 1 . SER 177 177 15717 1 . GLN 178 178 15717 1 . GLU 179 179 15717 1 . GLU 180 180 15717 1 . LEU 181 181 15717 1 . GLN 182 182 15717 1 . VAL 183 183 15717 1 . VAL 184 184 15717 1 . GLN 185 185 15717 1 . LEU 186 186 15717 1 . LEU 187 187 15717 1 . ALA 188 188 15717 1 . ASP 189 189 15717 1 . GLN 190 190 15717 1 . VAL 191 191 15717 1 . SER 192 192 15717 1 . ILE 193 193 15717 1 . ALA 194 194 15717 1 . ILE 195 195 15717 1 . ALA 196 196 15717 1 . GLN 197 197 15717 1 . ALA 198 198 15717 1 . GLU 199 199 15717 1 . LEU 200 200 15717 1 . SER 201 201 15717 1 . LEU 202 202 15717 1 . HIS 203 203 15717 1 . HIS 204 204 15717 1 . HIS 205 205 15717 1 . HIS 206 206 15717 1 . HIS 207 207 15717 1 . HIS 208 208 15717 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15717 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SyB-Cph1(GAF) . 197221 organism . 'Thermosynechococcus elongatus BP-1' 'Thermosynechococcus elongatus BP-1' . . Bacteria . Synechococcus OS-B' . . . . . . . . . . . . . . . . . . . . . 15717 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15717 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SyB-Cph1(GAF) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-4T . . . . . . 15717 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CYC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYC _Chem_comp.Entry_ID 15717 _Chem_comp.ID CYC _Chem_comp.Provenance . _Chem_comp.Name PHYCOCYANOBILIN _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CYC _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CYC _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C33 H40 N4 O6' _Chem_comp.Formula_weight 588.694 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:29:46 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C SMILES 'OpenEye OEToolkits' 1.5.0 15717 CYC CC[C@@H]1[C@@H](C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES_CANONICAL CACTVS 3.341 15717 CYC CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES CACTVS 3.341 15717 CYC CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15717 CYC InChI=1/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 InChI InChI 1.01 15717 CYC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15717 CYC (3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one 'SYSTEMATIC NAME' ACD-LABS 4.04 15717 CYC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1A . C1A . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C1B . C1B . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C1C . C1C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C1D . C1D . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15717 CYC C2A . C2A . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C2B . C2B . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C2C . C2C . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C2D . C2D . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15717 CYC C3A . C3A . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C3B . C3B . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C3C . C3C . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C3D . C3D . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15717 CYC C4A . C4A . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C4B . C4B . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C4C . C4C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC C4D . C4D . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15717 CYC CAA . CAA . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CAB . CAB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CAC . CAC . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CAD . CAD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CBA . CBA . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CBB . CBB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CBC . CBC . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CBD . CBD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CGA . CGA . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CGD . CGD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CHA . CHA . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CHB . CHB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CHD . CHD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CMA . CMA . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CMB . CMB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CMC . CMC . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC CMD . CMD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC H2A . H2A . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC H2C . H2C . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC H2D . H2D . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC H3C . H3C . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAA1 . HAA1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAA2 . HAA2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAB1 . HAB1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAB2 . HAB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAC1 . HAC1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAC2 . HAC2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAD1 . HAD1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HAD2 . HAD2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HB . HB . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBA1 . HBA1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBA2 . HBA2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBB1 . HBB1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBB2 . HBB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBB3 . HBB3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBC1 . HBC1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBC2 . HBC2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBC3 . HBC3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBD1 . HBD1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HBD2 . HBD2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HC . HC . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HD . HD . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HHA . HHA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HHB . HHB . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HHD . HHD . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMA1 . HMA1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMA2 . HMA2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMA3 . HMA3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMB1 . HMB1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMB2 . HMB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMB3 . HMB3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMC1 . HMC1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMC2 . HMC2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMC3 . HMC3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMD1 . HMD1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMD2 . HMD2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC HMD3 . HMD3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC NA . NA . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC NB . NB . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC NC . NC . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC ND . ND . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15717 CYC O1A . O1A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC O1D . O1D . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC O2A . O2A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC O2D . O2D . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC OB . OB . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC OC . OC . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15717 CYC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB CHA C1A . . 1 . 15717 CYC 2 . SING CHA C4D . . 2 . 15717 CYC 3 . SING CHA HHA . . 3 . 15717 CYC 4 . SING NA C1A . . 4 . 15717 CYC 5 . DOUB NA C4A . . 5 . 15717 CYC 6 . SING C1A C2A . . 6 . 15717 CYC 7 . DOUB C2A C3A . . 7 . 15717 CYC 8 . SING C2A CAA . . 8 . 15717 CYC 9 . SING C3A C4A . . 9 . 15717 CYC 10 . SING C3A CMA . . 10 . 15717 CYC 11 . SING C4A CHB . . 11 . 15717 CYC 12 . SING CMA HMA1 . . 12 . 15717 CYC 13 . SING CMA HMA2 . . 13 . 15717 CYC 14 . SING CMA HMA3 . . 14 . 15717 CYC 15 . SING CAA CBA . . 15 . 15717 CYC 16 . SING CAA HAA1 . . 16 . 15717 CYC 17 . SING CAA HAA2 . . 17 . 15717 CYC 18 . SING CBA CGA . . 18 . 15717 CYC 19 . SING CBA HBA1 . . 19 . 15717 CYC 20 . SING CBA HBA2 . . 20 . 15717 CYC 21 . DOUB CGA O1A . . 21 . 15717 CYC 22 . SING CGA O2A . . 22 . 15717 CYC 23 . SING O2A H2A . . 23 . 15717 CYC 24 . DOUB CHB C1B . . 24 . 15717 CYC 25 . SING CHB HHB . . 25 . 15717 CYC 26 . SING NB C1B . . 26 . 15717 CYC 27 . SING NB C4B . . 27 . 15717 CYC 28 . SING NB HB . . 28 . 15717 CYC 29 . SING C1B C2B . . 29 . 15717 CYC 30 . DOUB C2B C3B . . 30 . 15717 CYC 31 . SING C2B CMB . . 31 . 15717 CYC 32 . SING C3B C4B . . 32 . 15717 CYC 33 . SING C3B CAB . . 33 . 15717 CYC 34 . DOUB C4B OB . . 34 . 15717 CYC 35 . SING CMB HMB1 . . 35 . 15717 CYC 36 . SING CMB HMB2 . . 36 . 15717 CYC 37 . SING CMB HMB3 . . 37 . 15717 CYC 38 . SING CAB CBB . . 38 . 15717 CYC 39 . SING CAB HAB1 . . 39 . 15717 CYC 40 . SING CAB HAB2 . . 40 . 15717 CYC 41 . SING CBB HBB1 . . 41 . 15717 CYC 42 . SING CBB HBB2 . . 42 . 15717 CYC 43 . SING CBB HBB3 . . 43 . 15717 CYC 44 . SING NC C1C . . 44 . 15717 CYC 45 . SING NC C4C . . 45 . 15717 CYC 46 . SING NC HC . . 46 . 15717 CYC 47 . SING C1C C2C . . 47 . 15717 CYC 48 . DOUB C1C OC . . 48 . 15717 CYC 49 . SING C2C C3C . . 49 . 15717 CYC 50 . SING C2C CMC . . 50 . 15717 CYC 51 . SING C2C H2C . . 51 . 15717 CYC 52 . SING C3C C4C . . 52 . 15717 CYC 53 . SING C3C CAC . . 53 . 15717 CYC 54 . SING C3C H3C . . 54 . 15717 CYC 55 . DOUB C4C CHD . . 55 . 15717 CYC 56 . SING CMC HMC1 . . 56 . 15717 CYC 57 . SING CMC HMC2 . . 57 . 15717 CYC 58 . SING CMC HMC3 . . 58 . 15717 CYC 59 . SING CAC CBC . . 59 . 15717 CYC 60 . SING CAC HAC1 . . 60 . 15717 CYC 61 . SING CAC HAC2 . . 61 . 15717 CYC 62 . SING CBC HBC1 . . 62 . 15717 CYC 63 . SING CBC HBC2 . . 63 . 15717 CYC 64 . SING CBC HBC3 . . 64 . 15717 CYC 65 . SING CHD C1D . . 65 . 15717 CYC 66 . SING CHD HHD . . 66 . 15717 CYC 67 . SING ND C1D . . 67 . 15717 CYC 68 . SING ND C4D . . 68 . 15717 CYC 69 . SING ND HD . . 69 . 15717 CYC 70 . DOUB C1D C2D . . 70 . 15717 CYC 71 . SING C2D C3D . . 71 . 15717 CYC 72 . SING C2D CMD . . 72 . 15717 CYC 73 . DOUB C3D C4D . . 73 . 15717 CYC 74 . SING C3D CAD . . 74 . 15717 CYC 75 . SING CMD HMD1 . . 75 . 15717 CYC 76 . SING CMD HMD2 . . 76 . 15717 CYC 77 . SING CMD HMD3 . . 77 . 15717 CYC 78 . SING CAD CBD . . 78 . 15717 CYC 79 . SING CAD HAD1 . . 79 . 15717 CYC 80 . SING CAD HAD2 . . 80 . 15717 CYC 81 . SING CBD CGD . . 81 . 15717 CYC 82 . SING CBD HBD1 . . 82 . 15717 CYC 83 . SING CBD HBD2 . . 83 . 15717 CYC 84 . DOUB CGD O1D . . 84 . 15717 CYC 85 . SING CGD O2D . . 85 . 15717 CYC 86 . SING O2D H2D . . 86 . 15717 CYC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15717 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SyB-Cph1(GAF) '[U-13C; U-15N]' . . 1 $SyB-Cph1(GAF) . . 1.7 . . mM . . . . 15717 1 2 PHYCOCYANOBILIN 'natural abundance' . . . . . . 1.7 . . mM . . . . 15717 1 3 Tris-DCl [U-2H] . . . . . . 10 . . mM . . . . 15717 1 4 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 15717 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15717 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SyB-Cph1(GAF) 'natural abundance' . . 1 $SyB-Cph1(GAF) . . 2 . . mM . . . . 15717 2 2 PHYCOCYANOBILIN [U-15N] . . . . . . 2 . . mM . . . . 15717 2 3 Tris-DCl [U-2H] . . . . . . 10 . . mM . . . . 15717 2 4 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 15717 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15717 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SyB-Cph1(GAF) 'natural abundance' . . 1 $SyB-Cph1(GAF) . . 1 . . mM . . . . 15717 3 2 PHYCOCYANOBILIN [U-13C] . . . . . . 1 . . mM . . . . 15717 3 3 Tris-DCl [U-2H] . . . . . . 10 . . mM . . . . 15717 3 4 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 15717 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15717 _Sample.ID 4 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SyB-Cph1(GAF) '[U-13C; U-15N]' . . 1 $SyB-Cph1(GAF) . . 1 . . mM . . . . 15717 4 2 PHYCOCYANOBILIN 'natural abundance' . . . . . . 1 . . mM . . . . 15717 4 3 Tris-DCl [U-2H] . . . . . . 10 . . mM . . . . 15717 4 4 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 15717 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15717 _Sample.ID 5 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SyB-Cph1(GAF) '[U-13C; U-15N]' . . 1 $SyB-Cph1(GAF) . . 1 . . mM . . . . 15717 5 2 PHYCOCYANOBILIN 'natural abundance' . . . . . . 1 . . mM . . . . 15717 5 3 Tris-DCl [U-2H] . . . . . . 10 . . mM . . . . 15717 5 4 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 15717 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 15717 _Sample.ID 6 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SyB-Cph1(GAF) 'natural abundance' . . 1 $SyB-Cph1(GAF) . . 0.5 . . mM . . . . 15717 6 2 PHYCOCYANOBILIN [U-13C] . . . . . . 0.5 . . mM . . . . 15717 6 3 Tris-DCl [U-2H] . . . . . . 10 . . mM . . . . 15717 6 4 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 15717 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15717 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 15717 1 pH 8.5 . pH 15717 1 pressure 1 . atm 15717 1 temperature 298 . K 15717 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15717 _Sample_condition_list.ID 2 _Sample_condition_list.Details bicelles loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 15717 2 pH 8.5 . pH 15717 2 pressure 1 . atm 15717 2 temperature 306 . K 15717 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15717 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15717 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15717 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15717 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15717 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15717 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15717 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15717 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15717 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15717 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15717 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15717 4 'data analysis' 15717 4 'peak picking' 15717 4 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15717 _Software.ID 5 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 15717 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15717 5 'peak picking' 15717 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15717 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15717 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15717 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15717 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15717 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15717 7 refinement 15717 7 'structure solution' 15717 7 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15717 _Software.ID 8 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15717 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15717 8 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15717 _Software.ID 9 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15717 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15717 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian800 _NMR_spectrometer.Entry_ID 15717 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Varian600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian600 _NMR_spectrometer.Entry_ID 15717 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker600 _NMR_spectrometer.Entry_ID 15717 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15717 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Varian800 Varian INOVA . 800 . . . 15717 1 2 Varian600 Varian INOVA . 600 . . . 15717 1 3 Bruker600 Bruker Avance . 600 . . . 15717 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15717 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian800 . . . . . . . . . . . . . . . . 15717 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian600 . . . . . . . . . . . . . . . . 15717 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian600 . . . . . . . . . . . . . . . . 15717 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian600 . . . . . . . . . . . . . . . . 15717 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian600 . . . . . . . . . . . . . . . . 15717 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian600 . . . . . . . . . . . . . . . . 15717 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Varian600 . . . . . . . . . . . . . . . . 15717 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian800 . . . . . . . . . . . . . . . . 15717 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian800 . . . . . . . . . . . . . . . . 15717 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian800 . . . . . . . . . . . . . . . . 15717 1 11 '3D HNCO antiphase' no . . . . . . . . . . 5 $sample_5 anisotropic . . 2 $sample_conditions_2 . . . 3 $Bruker600 . . . . . . . . . . . . . . . . 15717 1 12 '3D HCA(CO)N antiphase' no . . . . . . . . . . 5 $sample_5 anisotropic . . 2 $sample_conditions_2 . . . 3 $Bruker600 . . . . . . . . . . . . . . . . 15717 1 13 'J modulated 2D 1H-13C HSQC' no . . . . . . . . . . 6 $sample_6 anisotropic . . 1 $sample_conditions_1 . . . 3 $Bruker600 . . . . . . . . . . . . . . . . 15717 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian800 . . . . . . . . . . . . . . . . 15717 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $Varian800 . . . . . . . . . . . . . . . . 15717 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15717 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.251449530 . . . 1 $citations . . 1 $citations 15717 1 H 1 water protons . . . . ppm 4.773 na direct 1.000000000 . . . 1 $citations . . 1 $citations 15717 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . 1 $citations . . 1 $citations 15717 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15717 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; No experiments for stereospecific assignments were performed, therefore the standard chemical shift ambiguity codes apply ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15717 1 2 '3D HNCO' . . . 15717 1 3 '3D CBCA(CO)NH' . . . 15717 1 4 '3D HNCACB' . . . 15717 1 5 '3D HBHA(CO)NH' . . . 15717 1 6 '3D H(CCO)NH' . . . 15717 1 7 '3D C(CO)NH' . . . 15717 1 8 '3D HCCH-TOCSY' . . . 15717 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 12 12 PRO C C 13 176.214 0.1 . . . . . . 12 PRO C . 15717 1 2 . 1 1 12 12 PRO CA C 13 63.477 0.1 . . . . . . 12 PRO CA . 15717 1 3 . 1 1 12 12 PRO CB C 13 32.013 0.1 . . . . . . 12 PRO CB . 15717 1 4 . 1 1 13 13 SER H H 1 7.993 0.01 . . . . . . 13 SER H . 15717 1 5 . 1 1 13 13 SER C C 13 177.801 0.1 . . . . . . 13 SER C . 15717 1 6 . 1 1 13 13 SER CA C 13 64.627 0.1 . . . . . . 13 SER CA . 15717 1 7 . 1 1 13 13 SER CB C 13 64.760 0.1 . . . . . . 13 SER CB . 15717 1 8 . 1 1 13 13 SER N N 15 121.843 0.1 . . . . . . 13 SER N . 15717 1 9 . 1 1 14 14 ARG H H 1 7.522 0.01 . . . . . . 14 ARG H . 15717 1 10 . 1 1 14 14 ARG N N 15 123.632 0.1 . . . . . . 14 ARG N . 15717 1 11 . 1 1 17 17 LEU HA H 1 3.816 0.01 . . . . . . 17 LEU HA . 15717 1 12 . 1 1 17 17 LEU HB2 H 1 1.648 0.01 . . . . . . 17 LEU HB1 . 15717 1 13 . 1 1 17 17 LEU C C 13 177.942 0.1 . . . . . . 17 LEU C . 15717 1 14 . 1 1 17 17 LEU CA C 13 58.148 0.1 . . . . . . 17 LEU CA . 15717 1 15 . 1 1 17 17 LEU CB C 13 41.845 0.1 . . . . . . 17 LEU CB . 15717 1 16 . 1 1 17 17 LEU CD1 C 13 25.386 0.1 . . . . . . 17 LEU CD1 . 15717 1 17 . 1 1 18 18 ILE H H 1 7.910 0.01 . . . . . . 18 ILE H . 15717 1 18 . 1 1 18 18 ILE N N 15 118.063 0.1 . . . . . . 18 ILE N . 15717 1 19 . 1 1 26 26 ARG C C 13 178.781 0.1 . . . . . . 26 ARG C . 15717 1 20 . 1 1 26 26 ARG CA C 13 60.067 0.1 . . . . . . 26 ARG CA . 15717 1 21 . 1 1 26 26 ARG CB C 13 29.282 0.1 . . . . . . 26 ARG CB . 15717 1 22 . 1 1 27 27 GLN H H 1 8.003 0.01 . . . . . . 27 GLN H . 15717 1 23 . 1 1 27 27 GLN C C 13 176.793 0.1 . . . . . . 27 GLN C . 15717 1 24 . 1 1 27 27 GLN CA C 13 58.619 0.1 . . . . . . 27 GLN CA . 15717 1 25 . 1 1 27 27 GLN CB C 13 30.212 0.1 . . . . . . 27 GLN CB . 15717 1 26 . 1 1 27 27 GLN N N 15 118.920 0.1 . . . . . . 27 GLN N . 15717 1 27 . 1 1 28 28 SER H H 1 8.175 0.01 . . . . . . 28 SER H . 15717 1 28 . 1 1 28 28 SER N N 15 118.066 0.1 . . . . . . 28 SER N . 15717 1 29 . 1 1 31 31 LEU HA H 1 3.906 0.01 . . . . . . 31 LEU HA . 15717 1 30 . 1 1 31 31 LEU HB2 H 1 1.49 0.01 . . . . . . 31 LEU HB1 . 15717 1 31 . 1 1 31 31 LEU HB3 H 1 1.42 0.01 . . . . . . 31 LEU HB2 . 15717 1 32 . 1 1 31 31 LEU HD11 H 1 0.85 0.01 . . . . . . 31 LEU HD1 . 15717 1 33 . 1 1 31 31 LEU HD12 H 1 0.85 0.01 . . . . . . 31 LEU HD1 . 15717 1 34 . 1 1 31 31 LEU HD13 H 1 0.85 0.01 . . . . . . 31 LEU HD1 . 15717 1 35 . 1 1 31 31 LEU HD21 H 1 0.62 0.01 . . . . . . 31 LEU HD2 . 15717 1 36 . 1 1 31 31 LEU HD22 H 1 0.62 0.01 . . . . . . 31 LEU HD2 . 15717 1 37 . 1 1 31 31 LEU HD23 H 1 0.62 0.01 . . . . . . 31 LEU HD2 . 15717 1 38 . 1 1 31 31 LEU C C 13 178.254 0.1 . . . . . . 31 LEU C . 15717 1 39 . 1 1 31 31 LEU CA C 13 58.328 0.1 . . . . . . 31 LEU CA . 15717 1 40 . 1 1 31 31 LEU CB C 13 41.636 0.1 . . . . . . 31 LEU CB . 15717 1 41 . 1 1 31 31 LEU CD1 C 13 26.0 0.1 . . . . . . 31 LEU CD1 . 15717 1 42 . 1 1 31 31 LEU CD2 C 13 23.0 0.1 . . . . . . 31 LEU CD2 . 15717 1 43 . 1 1 32 32 ASP H H 1 8.865 0.01 . . . . . . 32 ASP H . 15717 1 44 . 1 1 32 32 ASP HA H 1 4.234 0.01 . . . . . . 32 ASP HA . 15717 1 45 . 1 1 32 32 ASP HB2 H 1 2.694 0.01 . . . . . . 32 ASP HB1 . 15717 1 46 . 1 1 32 32 ASP HB3 H 1 2.655 0.01 . . . . . . 32 ASP HB2 . 15717 1 47 . 1 1 32 32 ASP C C 13 178.689 0.1 . . . . . . 32 ASP C . 15717 1 48 . 1 1 32 32 ASP CA C 13 58.138 0.1 . . . . . . 32 ASP CA . 15717 1 49 . 1 1 32 32 ASP CB C 13 40.635 0.1 . . . . . . 32 ASP CB . 15717 1 50 . 1 1 32 32 ASP N N 15 116.668 0.1 . . . . . . 32 ASP N . 15717 1 51 . 1 1 33 33 GLN H H 1 7.396 0.01 . . . . . . 33 GLN H . 15717 1 52 . 1 1 33 33 GLN HA H 1 4.051 0.01 . . . . . . 33 GLN HA . 15717 1 53 . 1 1 33 33 GLN HB2 H 1 2.280 0.01 . . . . . . 33 GLN HB1 . 15717 1 54 . 1 1 33 33 GLN HE21 H 1 7.46 0.01 . . . . . . 33 GLN HE21 . 15717 1 55 . 1 1 33 33 GLN HE22 H 1 6.74 0.01 . . . . . . 33 GLN HE22 . 15717 1 56 . 1 1 33 33 GLN HG2 H 1 2.477 0.01 . . . . . . 33 GLN HG1 . 15717 1 57 . 1 1 33 33 GLN C C 13 178.967 0.1 . . . . . . 33 GLN C . 15717 1 58 . 1 1 33 33 GLN CA C 13 58.725 0.1 . . . . . . 33 GLN CA . 15717 1 59 . 1 1 33 33 GLN CB C 13 28.418 0.1 . . . . . . 33 GLN CB . 15717 1 60 . 1 1 33 33 GLN CG C 13 33.976 0.1 . . . . . . 33 GLN CG . 15717 1 61 . 1 1 33 33 GLN N N 15 116.956 0.1 . . . . . . 33 GLN N . 15717 1 62 . 1 1 33 33 GLN NE2 N 15 111.50 0.1 . . . . . . 33 GLN NE2 . 15717 1 63 . 1 1 34 34 ILE H H 1 7.766 0.01 . . . . . . 34 ILE H . 15717 1 64 . 1 1 34 34 ILE HA H 1 3.740 0.01 . . . . . . 34 ILE HA . 15717 1 65 . 1 1 34 34 ILE C C 13 179.745 0.1 . . . . . . 34 ILE C . 15717 1 66 . 1 1 34 34 ILE CA C 13 64.484 0.1 . . . . . . 34 ILE CA . 15717 1 67 . 1 1 34 34 ILE CB C 13 37.803 0.1 . . . . . . 34 ILE CB . 15717 1 68 . 1 1 34 34 ILE N N 15 121.822 0.1 . . . . . . 34 ILE N . 15717 1 69 . 1 1 35 35 LEU H H 1 8.891 0.01 . . . . . . 35 LEU H . 15717 1 70 . 1 1 35 35 LEU HA H 1 3.83 0.01 . . . . . . 35 LEU HA . 15717 1 71 . 1 1 35 35 LEU HB2 H 1 2.1 0.01 . . . . . . 35 LEU HB1 . 15717 1 72 . 1 1 35 35 LEU HD11 H 1 0.98 0.01 . . . . . . 35 LEU HD1 . 15717 1 73 . 1 1 35 35 LEU HD12 H 1 0.98 0.01 . . . . . . 35 LEU HD1 . 15717 1 74 . 1 1 35 35 LEU HD13 H 1 0.98 0.01 . . . . . . 35 LEU HD1 . 15717 1 75 . 1 1 35 35 LEU HD21 H 1 0.64 0.01 . . . . . . 35 LEU HD2 . 15717 1 76 . 1 1 35 35 LEU HD22 H 1 0.64 0.01 . . . . . . 35 LEU HD2 . 15717 1 77 . 1 1 35 35 LEU HD23 H 1 0.64 0.01 . . . . . . 35 LEU HD2 . 15717 1 78 . 1 1 35 35 LEU C C 13 178.424 0.1 . . . . . . 35 LEU C . 15717 1 79 . 1 1 35 35 LEU CA C 13 58.389 0.1 . . . . . . 35 LEU CA . 15717 1 80 . 1 1 35 35 LEU CB C 13 41.283 0.1 . . . . . . 35 LEU CB . 15717 1 81 . 1 1 35 35 LEU CD1 C 13 26.3 0.1 . . . . . . 35 LEU CD1 . 15717 1 82 . 1 1 35 35 LEU CD2 C 13 22.1 0.1 . . . . . . 35 LEU CD2 . 15717 1 83 . 1 1 35 35 LEU N N 15 122.005 0.1 . . . . . . 35 LEU N . 15717 1 84 . 1 1 36 36 ARG H H 1 7.898 0.01 . . . . . . 36 ARG H . 15717 1 85 . 1 1 36 36 ARG HA H 1 3.966 0.01 . . . . . . 36 ARG HA . 15717 1 86 . 1 1 36 36 ARG HB2 H 1 1.93 0.01 . . . . . . 36 ARG HB1 . 15717 1 87 . 1 1 36 36 ARG HD2 H 1 3.305 0.01 . . . . . . 36 ARG HD1 . 15717 1 88 . 1 1 36 36 ARG HD3 H 1 3.20 0.01 . . . . . . 36 ARG HD2 . 15717 1 89 . 1 1 36 36 ARG HG2 H 1 1.67 0.01 . . . . . . 36 ARG HG1 . 15717 1 90 . 1 1 36 36 ARG C C 13 177.784 0.1 . . . . . . 36 ARG C . 15717 1 91 . 1 1 36 36 ARG CA C 13 59.947 0.1 . . . . . . 36 ARG CA . 15717 1 92 . 1 1 36 36 ARG CB C 13 30.382 0.1 . . . . . . 36 ARG CB . 15717 1 93 . 1 1 36 36 ARG CD C 13 43.921 0.1 . . . . . . 36 ARG CD . 15717 1 94 . 1 1 36 36 ARG CG C 13 28.4 0.1 . . . . . . 36 ARG CG . 15717 1 95 . 1 1 36 36 ARG N N 15 118.516 0.1 . . . . . . 36 ARG N . 15717 1 96 . 1 1 37 37 ALA H H 1 7.988 0.01 . . . . . . 37 ALA H . 15717 1 97 . 1 1 37 37 ALA HA H 1 4.147 0.01 . . . . . . 37 ALA HA . 15717 1 98 . 1 1 37 37 ALA HB1 H 1 1.476 0.01 . . . . . . 37 ALA HB . 15717 1 99 . 1 1 37 37 ALA HB2 H 1 1.476 0.01 . . . . . . 37 ALA HB . 15717 1 100 . 1 1 37 37 ALA HB3 H 1 1.476 0.01 . . . . . . 37 ALA HB . 15717 1 101 . 1 1 37 37 ALA C C 13 180.065 0.1 . . . . . . 37 ALA C . 15717 1 102 . 1 1 37 37 ALA CA C 13 54.675 0.1 . . . . . . 37 ALA CA . 15717 1 103 . 1 1 37 37 ALA CB C 13 18.261 0.1 . . . . . . 37 ALA CB . 15717 1 104 . 1 1 37 37 ALA N N 15 120.131 0.1 . . . . . . 37 ALA N . 15717 1 105 . 1 1 38 38 THR H H 1 8.229 0.01 . . . . . . 38 THR H . 15717 1 106 . 1 1 38 38 THR HA H 1 3.637 0.01 . . . . . . 38 THR HA . 15717 1 107 . 1 1 38 38 THR HB H 1 4.20 0.01 . . . . . . 38 THR HB . 15717 1 108 . 1 1 38 38 THR C C 13 176.569 0.1 . . . . . . 38 THR C . 15717 1 109 . 1 1 38 38 THR CA C 13 68.436 0.1 . . . . . . 38 THR CA . 15717 1 110 . 1 1 38 38 THR CB C 13 68.156 0.1 . . . . . . 38 THR CB . 15717 1 111 . 1 1 38 38 THR N N 15 113.871 0.1 . . . . . . 38 THR N . 15717 1 112 . 1 1 39 39 VAL H H 1 8.028 0.01 . . . . . . 39 VAL H . 15717 1 113 . 1 1 39 39 VAL HA H 1 3.768 0.01 . . . . . . 39 VAL HA . 15717 1 114 . 1 1 39 39 VAL HB H 1 1.98 0.01 . . . . . . 39 VAL HB . 15717 1 115 . 1 1 39 39 VAL HG11 H 1 1.12 0.01 . . . . . . 39 VAL HG1 . 15717 1 116 . 1 1 39 39 VAL HG12 H 1 1.12 0.01 . . . . . . 39 VAL HG1 . 15717 1 117 . 1 1 39 39 VAL HG13 H 1 1.12 0.01 . . . . . . 39 VAL HG1 . 15717 1 118 . 1 1 39 39 VAL HG21 H 1 0.86 0.01 . . . . . . 39 VAL HG2 . 15717 1 119 . 1 1 39 39 VAL HG22 H 1 0.86 0.01 . . . . . . 39 VAL HG2 . 15717 1 120 . 1 1 39 39 VAL HG23 H 1 0.86 0.01 . . . . . . 39 VAL HG2 . 15717 1 121 . 1 1 39 39 VAL C C 13 177.657 0.1 . . . . . . 39 VAL C . 15717 1 122 . 1 1 39 39 VAL CA C 13 66.114 0.1 . . . . . . 39 VAL CA . 15717 1 123 . 1 1 39 39 VAL CB C 13 30.391 0.1 . . . . . . 39 VAL CB . 15717 1 124 . 1 1 39 39 VAL CG1 C 13 20.6 0.1 . . . . . . 39 VAL CG1 . 15717 1 125 . 1 1 39 39 VAL CG2 C 13 24.6 0.1 . . . . . . 39 VAL CG2 . 15717 1 126 . 1 1 39 39 VAL N N 15 112.859 0.1 . . . . . . 39 VAL N . 15717 1 127 . 1 1 40 40 GLU H H 1 7.638 0.01 . . . . . . 40 GLU H . 15717 1 128 . 1 1 40 40 GLU HA H 1 3.92 0.01 . . . . . . 40 GLU HA . 15717 1 129 . 1 1 40 40 GLU HB2 H 1 2.08 0.01 . . . . . . 40 GLU HB1 . 15717 1 130 . 1 1 40 40 GLU HG2 H 1 2.49 0.01 . . . . . . 40 GLU HG1 . 15717 1 131 . 1 1 40 40 GLU C C 13 179.889 0.1 . . . . . . 40 GLU C . 15717 1 132 . 1 1 40 40 GLU CA C 13 59.379 0.1 . . . . . . 40 GLU CA . 15717 1 133 . 1 1 40 40 GLU CB C 13 29.287 0.1 . . . . . . 40 GLU CB . 15717 1 134 . 1 1 40 40 GLU CG C 13 36.094 0.1 . . . . . . 40 GLU CG . 15717 1 135 . 1 1 40 40 GLU N N 15 120.495 0.1 . . . . . . 40 GLU N . 15717 1 136 . 1 1 41 41 GLU H H 1 8.454 0.01 . . . . . . 41 GLU H . 15717 1 137 . 1 1 41 41 GLU C C 13 179.15 0.1 . . . . . . 41 GLU C . 15717 1 138 . 1 1 41 41 GLU CA C 13 59.445 0.1 . . . . . . 41 GLU CA . 15717 1 139 . 1 1 41 41 GLU CB C 13 28.163 0.1 . . . . . . 41 GLU CB . 15717 1 140 . 1 1 41 41 GLU N N 15 119.490 0.1 . . . . . . 41 GLU N . 15717 1 141 . 1 1 42 42 VAL H H 1 8.78 0.01 . . . . . . 42 VAL H . 15717 1 142 . 1 1 42 42 VAL HA H 1 3.54 0.01 . . . . . . 42 VAL HA . 15717 1 143 . 1 1 42 42 VAL HB H 1 2.12 0.01 . . . . . . 42 VAL HB . 15717 1 144 . 1 1 42 42 VAL HG11 H 1 1.06 0.01 . . . . . . 42 VAL HG1 . 15717 1 145 . 1 1 42 42 VAL HG12 H 1 1.06 0.01 . . . . . . 42 VAL HG1 . 15717 1 146 . 1 1 42 42 VAL HG13 H 1 1.06 0.01 . . . . . . 42 VAL HG1 . 15717 1 147 . 1 1 42 42 VAL HG21 H 1 0.93 0.01 . . . . . . 42 VAL HG2 . 15717 1 148 . 1 1 42 42 VAL HG22 H 1 0.93 0.01 . . . . . . 42 VAL HG2 . 15717 1 149 . 1 1 42 42 VAL HG23 H 1 0.93 0.01 . . . . . . 42 VAL HG2 . 15717 1 150 . 1 1 42 42 VAL C C 13 177.267 0.1 . . . . . . 42 VAL C . 15717 1 151 . 1 1 42 42 VAL CA C 13 67.3 0.1 . . . . . . 42 VAL CA . 15717 1 152 . 1 1 42 42 VAL CB C 13 31.6 0.1 . . . . . . 42 VAL CB . 15717 1 153 . 1 1 42 42 VAL CG1 C 13 25.2 0.1 . . . . . . 42 VAL CG1 . 15717 1 154 . 1 1 42 42 VAL CG2 C 13 22.9 0.1 . . . . . . 42 VAL CG2 . 15717 1 155 . 1 1 42 42 VAL N N 15 120.3 0.1 . . . . . . 42 VAL N . 15717 1 156 . 1 1 43 43 ARG H H 1 8.590 0.01 . . . . . . 43 ARG H . 15717 1 157 . 1 1 43 43 ARG C C 13 177.125 0.1 . . . . . . 43 ARG C . 15717 1 158 . 1 1 43 43 ARG CA C 13 58.178 0.1 . . . . . . 43 ARG CA . 15717 1 159 . 1 1 43 43 ARG CB C 13 29.554 0.1 . . . . . . 43 ARG CB . 15717 1 160 . 1 1 43 43 ARG N N 15 119.197 0.1 . . . . . . 43 ARG N . 15717 1 161 . 1 1 44 44 ALA H H 1 7.990 0.01 . . . . . . 44 ALA H . 15717 1 162 . 1 1 44 44 ALA HA H 1 4.14 0.01 . . . . . . 44 ALA HA . 15717 1 163 . 1 1 44 44 ALA HB1 H 1 1.562 0.01 . . . . . . 44 ALA HB . 15717 1 164 . 1 1 44 44 ALA HB2 H 1 1.562 0.01 . . . . . . 44 ALA HB . 15717 1 165 . 1 1 44 44 ALA HB3 H 1 1.562 0.01 . . . . . . 44 ALA HB . 15717 1 166 . 1 1 44 44 ALA C C 13 179.646 0.1 . . . . . . 44 ALA C . 15717 1 167 . 1 1 44 44 ALA CA C 13 54.795 0.1 . . . . . . 44 ALA CA . 15717 1 168 . 1 1 44 44 ALA CB C 13 18.259 0.1 . . . . . . 44 ALA CB . 15717 1 169 . 1 1 44 44 ALA N N 15 119.444 0.1 . . . . . . 44 ALA N . 15717 1 170 . 1 1 45 45 PHE H H 1 8.094 0.01 . . . . . . 45 PHE H . 15717 1 171 . 1 1 45 45 PHE HA H 1 4.34 0.01 . . . . . . 45 PHE HA . 15717 1 172 . 1 1 45 45 PHE HB2 H 1 3.37 0.01 . . . . . . 45 PHE HB1 . 15717 1 173 . 1 1 45 45 PHE HB3 H 1 3.06 0.01 . . . . . . 45 PHE HB2 . 15717 1 174 . 1 1 45 45 PHE HD1 H 1 7.09 0.01 . . . . . . 45 PHE HD1 . 15717 1 175 . 1 1 45 45 PHE HE1 H 1 6.96 0.01 . . . . . . 45 PHE HE1 . 15717 1 176 . 1 1 45 45 PHE HZ H 1 7.01 0.01 . . . . . . 45 PHE HZ . 15717 1 177 . 1 1 45 45 PHE C C 13 176.946 0.1 . . . . . . 45 PHE C . 15717 1 178 . 1 1 45 45 PHE CA C 13 60.428 0.1 . . . . . . 45 PHE CA . 15717 1 179 . 1 1 45 45 PHE CB C 13 39.937 0.1 . . . . . . 45 PHE CB . 15717 1 180 . 1 1 45 45 PHE CD1 C 13 130.93 0.1 . . . . . . 45 PHE CD1 . 15717 1 181 . 1 1 45 45 PHE CE1 C 13 131.5 0.1 . . . . . . 45 PHE CE1 . 15717 1 182 . 1 1 45 45 PHE N N 15 118.130 0.1 . . . . . . 45 PHE N . 15717 1 183 . 1 1 46 46 LEU H H 1 8.433 0.01 . . . . . . 46 LEU H . 15717 1 184 . 1 1 46 46 LEU HA H 1 3.762 0.01 . . . . . . 46 LEU HA . 15717 1 185 . 1 1 46 46 LEU HB2 H 1 1.86 0.01 . . . . . . 46 LEU HB1 . 15717 1 186 . 1 1 46 46 LEU HB3 H 1 1.34 0.01 . . . . . . 46 LEU HB2 . 15717 1 187 . 1 1 46 46 LEU HD11 H 1 0.86 0.01 . . . . . . 46 LEU HD1 . 15717 1 188 . 1 1 46 46 LEU HD12 H 1 0.86 0.01 . . . . . . 46 LEU HD1 . 15717 1 189 . 1 1 46 46 LEU HD13 H 1 0.86 0.01 . . . . . . 46 LEU HD1 . 15717 1 190 . 1 1 46 46 LEU HD21 H 1 0.80 0.01 . . . . . . 46 LEU HD2 . 15717 1 191 . 1 1 46 46 LEU HD22 H 1 0.80 0.01 . . . . . . 46 LEU HD2 . 15717 1 192 . 1 1 46 46 LEU HD23 H 1 0.80 0.01 . . . . . . 46 LEU HD2 . 15717 1 193 . 1 1 46 46 LEU C C 13 178.063 0.1 . . . . . . 46 LEU C . 15717 1 194 . 1 1 46 46 LEU CA C 13 55.108 0.1 . . . . . . 46 LEU CA . 15717 1 195 . 1 1 46 46 LEU CB C 13 44.498 0.1 . . . . . . 46 LEU CB . 15717 1 196 . 1 1 46 46 LEU CD1 C 13 26.374 0.1 . . . . . . 46 LEU CD1 . 15717 1 197 . 1 1 46 46 LEU CD2 C 13 22.1 0.1 . . . . . . 46 LEU CD2 . 15717 1 198 . 1 1 46 46 LEU N N 15 114.838 0.1 . . . . . . 46 LEU N . 15717 1 199 . 1 1 47 47 GLY H H 1 8.764 0.01 . . . . . . 47 GLY H . 15717 1 200 . 1 1 47 47 GLY HA2 H 1 3.850 0.01 . . . . . . 47 GLY HA1 . 15717 1 201 . 1 1 47 47 GLY C C 13 176.061 0.1 . . . . . . 47 GLY C . 15717 1 202 . 1 1 47 47 GLY CA C 13 46.445 0.1 . . . . . . 47 GLY CA . 15717 1 203 . 1 1 47 47 GLY N N 15 109.523 0.1 . . . . . . 47 GLY N . 15717 1 204 . 1 1 48 48 THR H H 1 7.022 0.01 . . . . . . 48 THR H . 15717 1 205 . 1 1 48 48 THR HA H 1 4.782 0.01 . . . . . . 48 THR HA . 15717 1 206 . 1 1 48 48 THR HB H 1 4.593 0.01 . . . . . . 48 THR HB . 15717 1 207 . 1 1 48 48 THR C C 13 176.114 0.1 . . . . . . 48 THR C . 15717 1 208 . 1 1 48 48 THR CA C 13 59.007 0.1 . . . . . . 48 THR CA . 15717 1 209 . 1 1 48 48 THR CB C 13 70.728 0.1 . . . . . . 48 THR CB . 15717 1 210 . 1 1 48 48 THR N N 15 105.919 0.1 . . . . . . 48 THR N . 15717 1 211 . 1 1 49 49 ASP H H 1 10.302 0.01 . . . . . . 49 ASP H . 15717 1 212 . 1 1 49 49 ASP C C 13 178.710 0.1 . . . . . . 49 ASP C . 15717 1 213 . 1 1 49 49 ASP CA C 13 59.105 0.1 . . . . . . 49 ASP CA . 15717 1 214 . 1 1 49 49 ASP CB C 13 43.026 0.1 . . . . . . 49 ASP CB . 15717 1 215 . 1 1 49 49 ASP N N 15 120.829 0.1 . . . . . . 49 ASP N . 15717 1 216 . 1 1 50 50 ARG H H 1 8.530 0.01 . . . . . . 50 ARG H . 15717 1 217 . 1 1 50 50 ARG HA H 1 5.215 0.01 . . . . . . 50 ARG HA . 15717 1 218 . 1 1 50 50 ARG C C 13 173.302 0.1 . . . . . . 50 ARG C . 15717 1 219 . 1 1 50 50 ARG CA C 13 56.940 0.1 . . . . . . 50 ARG CA . 15717 1 220 . 1 1 50 50 ARG CB C 13 35.928 0.1 . . . . . . 50 ARG CB . 15717 1 221 . 1 1 50 50 ARG N N 15 119.846 0.1 . . . . . . 50 ARG N . 15717 1 222 . 1 1 51 51 VAL H H 1 9.280 0.01 . . . . . . 51 VAL H . 15717 1 223 . 1 1 51 51 VAL HA H 1 5.48 0.01 . . . . . . 51 VAL HA . 15717 1 224 . 1 1 51 51 VAL HB H 1 1.879 0.01 . . . . . . 51 VAL HB . 15717 1 225 . 1 1 51 51 VAL HG11 H 1 0.908 0.01 . . . . . . 51 VAL HG1 . 15717 1 226 . 1 1 51 51 VAL HG12 H 1 0.908 0.01 . . . . . . 51 VAL HG1 . 15717 1 227 . 1 1 51 51 VAL HG13 H 1 0.908 0.01 . . . . . . 51 VAL HG1 . 15717 1 228 . 1 1 51 51 VAL C C 13 174.579 0.1 . . . . . . 51 VAL C . 15717 1 229 . 1 1 51 51 VAL CA C 13 60.488 0.1 . . . . . . 51 VAL CA . 15717 1 230 . 1 1 51 51 VAL CB C 13 35.142 0.1 . . . . . . 51 VAL CB . 15717 1 231 . 1 1 51 51 VAL CG1 C 13 21.975 0.1 . . . . . . 51 VAL CG1 . 15717 1 232 . 1 1 51 51 VAL N N 15 128.401 0.1 . . . . . . 51 VAL N . 15717 1 233 . 1 1 52 52 LYS H H 1 9.552 0.01 . . . . . . 52 LYS H . 15717 1 234 . 1 1 52 52 LYS HA H 1 5.404 0.01 . . . . . . 52 LYS HA . 15717 1 235 . 1 1 52 52 LYS HB2 H 1 1.65 0.01 . . . . . . 52 LYS HB1 . 15717 1 236 . 1 1 52 52 LYS HB3 H 1 1.42 0.01 . . . . . . 52 LYS HB2 . 15717 1 237 . 1 1 52 52 LYS C C 13 176.307 0.1 . . . . . . 52 LYS C . 15717 1 238 . 1 1 52 52 LYS CA C 13 54.358 0.1 . . . . . . 52 LYS CA . 15717 1 239 . 1 1 52 52 LYS CB C 13 35.727 0.1 . . . . . . 52 LYS CB . 15717 1 240 . 1 1 52 52 LYS CG C 13 23.159 0.1 . . . . . . 52 LYS CG . 15717 1 241 . 1 1 52 52 LYS N N 15 124.977 0.1 . . . . . . 52 LYS N . 15717 1 242 . 1 1 53 53 VAL H H 1 8.278 0.01 . . . . . . 53 VAL H . 15717 1 243 . 1 1 53 53 VAL HA H 1 4.79 0.01 . . . . . . 53 VAL HA . 15717 1 244 . 1 1 53 53 VAL HB H 1 1.79 0.01 . . . . . . 53 VAL HB . 15717 1 245 . 1 1 53 53 VAL HG11 H 1 0.95 0.01 . . . . . . 53 VAL HG1 . 15717 1 246 . 1 1 53 53 VAL HG12 H 1 0.95 0.01 . . . . . . 53 VAL HG1 . 15717 1 247 . 1 1 53 53 VAL HG13 H 1 0.95 0.01 . . . . . . 53 VAL HG1 . 15717 1 248 . 1 1 53 53 VAL HG21 H 1 0.88 0.01 . . . . . . 53 VAL HG2 . 15717 1 249 . 1 1 53 53 VAL HG22 H 1 0.88 0.01 . . . . . . 53 VAL HG2 . 15717 1 250 . 1 1 53 53 VAL HG23 H 1 0.88 0.01 . . . . . . 53 VAL HG2 . 15717 1 251 . 1 1 53 53 VAL C C 13 173.174 0.1 . . . . . . 53 VAL C . 15717 1 252 . 1 1 53 53 VAL CA C 13 62.449 0.1 . . . . . . 53 VAL CA . 15717 1 253 . 1 1 53 53 VAL CB C 13 33.336 0.1 . . . . . . 53 VAL CB . 15717 1 254 . 1 1 53 53 VAL CG1 C 13 22.4 0.1 . . . . . . 53 VAL CG1 . 15717 1 255 . 1 1 53 53 VAL CG2 C 13 22.049 0.1 . . . . . . 53 VAL CG2 . 15717 1 256 . 1 1 53 53 VAL N N 15 117.968 0.1 . . . . . . 53 VAL N . 15717 1 257 . 1 1 54 54 TYR H H 1 9.312 0.01 . . . . . . 54 TYR H . 15717 1 258 . 1 1 54 54 TYR HA H 1 4.897 0.01 . . . . . . 54 TYR HA . 15717 1 259 . 1 1 54 54 TYR HB2 H 1 2.58 0.01 . . . . . . 54 TYR HB1 . 15717 1 260 . 1 1 54 54 TYR HB3 H 1 2.12 0.01 . . . . . . 54 TYR HB2 . 15717 1 261 . 1 1 54 54 TYR HD1 H 1 6.11 0.01 . . . . . . 54 TYR HD1 . 15717 1 262 . 1 1 54 54 TYR HE1 H 1 6.35 0.01 . . . . . . 54 TYR HE1 . 15717 1 263 . 1 1 54 54 TYR C C 13 172.873 0.1 . . . . . . 54 TYR C . 15717 1 264 . 1 1 54 54 TYR CA C 13 55.362 0.1 . . . . . . 54 TYR CA . 15717 1 265 . 1 1 54 54 TYR CB C 13 42.414 0.1 . . . . . . 54 TYR CB . 15717 1 266 . 1 1 54 54 TYR CD1 C 13 131.8 0.1 . . . . . . 54 TYR CD1 . 15717 1 267 . 1 1 54 54 TYR CE1 C 13 117.75 0.1 . . . . . . 54 TYR CE1 . 15717 1 268 . 1 1 54 54 TYR N N 15 132.372 0.1 . . . . . . 54 TYR N . 15717 1 269 . 1 1 55 55 ARG H H 1 8.721 0.01 . . . . . . 55 ARG H . 15717 1 270 . 1 1 55 55 ARG HA H 1 3.892 0.01 . . . . . . 55 ARG HA . 15717 1 271 . 1 1 55 55 ARG C C 13 175.874 0.1 . . . . . . 55 ARG C . 15717 1 272 . 1 1 55 55 ARG CA C 13 54.862 0.1 . . . . . . 55 ARG CA . 15717 1 273 . 1 1 55 55 ARG CB C 13 34.227 0.1 . . . . . . 55 ARG CB . 15717 1 274 . 1 1 55 55 ARG CG C 13 26.027 0.1 . . . . . . 55 ARG CG . 15717 1 275 . 1 1 55 55 ARG N N 15 128.165 0.1 . . . . . . 55 ARG N . 15717 1 276 . 1 1 56 56 PHE H H 1 7.790 0.01 . . . . . . 56 PHE H . 15717 1 277 . 1 1 56 56 PHE HA H 1 4.564 0.01 . . . . . . 56 PHE HA . 15717 1 278 . 1 1 56 56 PHE HB2 H 1 3.104 0.01 . . . . . . 56 PHE HB1 . 15717 1 279 . 1 1 56 56 PHE HB3 H 1 2.469 0.01 . . . . . . 56 PHE HB2 . 15717 1 280 . 1 1 56 56 PHE HD1 H 1 7.11 0.01 . . . . . . 56 PHE HD1 . 15717 1 281 . 1 1 56 56 PHE HE1 H 1 7.35 0.01 . . . . . . 56 PHE HE1 . 15717 1 282 . 1 1 56 56 PHE HZ H 1 7.21 0.01 . . . . . . 56 PHE HZ . 15717 1 283 . 1 1 56 56 PHE C C 13 175.508 0.1 . . . . . . 56 PHE C . 15717 1 284 . 1 1 56 56 PHE CA C 13 59.736 0.1 . . . . . . 56 PHE CA . 15717 1 285 . 1 1 56 56 PHE CB C 13 39.931 0.1 . . . . . . 56 PHE CB . 15717 1 286 . 1 1 56 56 PHE CD1 C 13 131.6 0.1 . . . . . . 56 PHE CD1 . 15717 1 287 . 1 1 56 56 PHE CE1 C 13 131.27 0.1 . . . . . . 56 PHE CE1 . 15717 1 288 . 1 1 56 56 PHE N N 15 124.972 0.1 . . . . . . 56 PHE N . 15717 1 289 . 1 1 57 57 ASP H H 1 9.052 0.01 . . . . . . 57 ASP H . 15717 1 290 . 1 1 57 57 ASP HA H 1 4.85 0.01 . . . . . . 57 ASP HA . 15717 1 291 . 1 1 57 57 ASP HB2 H 1 2.35 0.01 . . . . . . 57 ASP HB1 . 15717 1 292 . 1 1 57 57 ASP HB3 H 1 2.14 0.01 . . . . . . 57 ASP HB2 . 15717 1 293 . 1 1 57 57 ASP CA C 13 52.079 0.1 . . . . . . 57 ASP CA . 15717 1 294 . 1 1 57 57 ASP CB C 13 41.904 0.1 . . . . . . 57 ASP CB . 15717 1 295 . 1 1 57 57 ASP N N 15 125.115 0.1 . . . . . . 57 ASP N . 15717 1 296 . 1 1 58 58 PRO HA H 1 4.220 0.01 . . . . . . 58 PRO HA . 15717 1 297 . 1 1 58 58 PRO HB2 H 1 1.909 0.01 . . . . . . 58 PRO HB1 . 15717 1 298 . 1 1 58 58 PRO C C 13 177.821 0.1 . . . . . . 58 PRO C . 15717 1 299 . 1 1 58 58 PRO CA C 13 65.684 0.1 . . . . . . 58 PRO CA . 15717 1 300 . 1 1 58 58 PRO CB C 13 31.987 0.1 . . . . . . 58 PRO CB . 15717 1 301 . 1 1 59 59 GLU H H 1 8.745 0.01 . . . . . . 59 GLU H . 15717 1 302 . 1 1 59 59 GLU HA H 1 4.186 0.01 . . . . . . 59 GLU HA . 15717 1 303 . 1 1 59 59 GLU HB2 H 1 2.129 0.01 . . . . . . 59 GLU HB1 . 15717 1 304 . 1 1 59 59 GLU HB3 H 1 2.036 0.01 . . . . . . 59 GLU HB2 . 15717 1 305 . 1 1 59 59 GLU HG2 H 1 2.313 0.01 . . . . . . 59 GLU HG1 . 15717 1 306 . 1 1 59 59 GLU C C 13 177.245 0.1 . . . . . . 59 GLU C . 15717 1 307 . 1 1 59 59 GLU CA C 13 57.241 0.1 . . . . . . 59 GLU CA . 15717 1 308 . 1 1 59 59 GLU CB C 13 29.846 0.1 . . . . . . 59 GLU CB . 15717 1 309 . 1 1 59 59 GLU CG C 13 37.264 0.1 . . . . . . 59 GLU CG . 15717 1 310 . 1 1 59 59 GLU N N 15 115.083 0.1 . . . . . . 59 GLU N . 15717 1 311 . 1 1 60 60 GLY H H 1 8.128 0.01 . . . . . . 60 GLY H . 15717 1 312 . 1 1 60 60 GLY HA2 H 1 4.40 0.01 . . . . . . 60 GLY HA1 . 15717 1 313 . 1 1 60 60 GLY HA3 H 1 3.57 0.01 . . . . . . 60 GLY HA2 . 15717 1 314 . 1 1 60 60 GLY C C 13 176.181 0.1 . . . . . . 60 GLY C . 15717 1 315 . 1 1 60 60 GLY CA C 13 45.543 0.1 . . . . . . 60 GLY CA . 15717 1 316 . 1 1 60 60 GLY N N 15 106.213 0.1 . . . . . . 60 GLY N . 15717 1 317 . 1 1 61 61 HIS H H 1 7.518 0.01 . . . . . . 61 HIS H . 15717 1 318 . 1 1 61 61 HIS HA H 1 4.74 0.01 . . . . . . 61 HIS HA . 15717 1 319 . 1 1 61 61 HIS HB2 H 1 3.425 0.01 . . . . . . 61 HIS HB1 . 15717 1 320 . 1 1 61 61 HIS HB3 H 1 3.14 0.01 . . . . . . 61 HIS HB2 . 15717 1 321 . 1 1 61 61 HIS HD2 H 1 7.05 0.01 . . . . . . 61 HIS HD2 . 15717 1 322 . 1 1 61 61 HIS C C 13 173.292 0.1 . . . . . . 61 HIS C . 15717 1 323 . 1 1 61 61 HIS CA C 13 56.195 0.1 . . . . . . 61 HIS CA . 15717 1 324 . 1 1 61 61 HIS CB C 13 30.491 0.1 . . . . . . 61 HIS CB . 15717 1 325 . 1 1 61 61 HIS N N 15 121.201 0.1 . . . . . . 61 HIS N . 15717 1 326 . 1 1 62 62 GLY H H 1 8.568 0.01 . . . . . . 62 GLY H . 15717 1 327 . 1 1 62 62 GLY HA2 H 1 4.692 0.01 . . . . . . 62 GLY HA1 . 15717 1 328 . 1 1 62 62 GLY HA3 H 1 2.708 0.01 . . . . . . 62 GLY HA2 . 15717 1 329 . 1 1 62 62 GLY C C 13 171.820 0.1 . . . . . . 62 GLY C . 15717 1 330 . 1 1 62 62 GLY CA C 13 45.833 0.1 . . . . . . 62 GLY CA . 15717 1 331 . 1 1 62 62 GLY N N 15 108.190 0.1 . . . . . . 62 GLY N . 15717 1 332 . 1 1 63 63 THR H H 1 7.585 0.01 . . . . . . 63 THR H . 15717 1 333 . 1 1 63 63 THR HA H 1 5.372 0.01 . . . . . . 63 THR HA . 15717 1 334 . 1 1 63 63 THR HB H 1 3.420 0.01 . . . . . . 63 THR HB . 15717 1 335 . 1 1 63 63 THR HG21 H 1 0.887 0.01 . . . . . . 63 THR HG2 . 15717 1 336 . 1 1 63 63 THR HG22 H 1 0.887 0.01 . . . . . . 63 THR HG2 . 15717 1 337 . 1 1 63 63 THR HG23 H 1 0.887 0.01 . . . . . . 63 THR HG2 . 15717 1 338 . 1 1 63 63 THR C C 13 174.273 0.1 . . . . . . 63 THR C . 15717 1 339 . 1 1 63 63 THR CA C 13 60.465 0.1 . . . . . . 63 THR CA . 15717 1 340 . 1 1 63 63 THR CB C 13 72.356 0.1 . . . . . . 63 THR CB . 15717 1 341 . 1 1 63 63 THR CG2 C 13 22.15 0.1 . . . . . . 63 THR CG2 . 15717 1 342 . 1 1 63 63 THR N N 15 113.619 0.1 . . . . . . 63 THR N . 15717 1 343 . 1 1 64 64 VAL H H 1 8.594 0.01 . . . . . . 64 VAL H . 15717 1 344 . 1 1 64 64 VAL C C 13 175.834 0.1 . . . . . . 64 VAL C . 15717 1 345 . 1 1 64 64 VAL CA C 13 63.278 0.1 . . . . . . 64 VAL CA . 15717 1 346 . 1 1 64 64 VAL CB C 13 30.604 0.1 . . . . . . 64 VAL CB . 15717 1 347 . 1 1 64 64 VAL N N 15 126.787 0.1 . . . . . . 64 VAL N . 15717 1 348 . 1 1 65 65 VAL H H 1 8.351 0.01 . . . . . . 65 VAL H . 15717 1 349 . 1 1 65 65 VAL HA H 1 4.577 0.01 . . . . . . 65 VAL HA . 15717 1 350 . 1 1 65 65 VAL HB H 1 2.416 0.01 . . . . . . 65 VAL HB . 15717 1 351 . 1 1 65 65 VAL HG11 H 1 0.78 0.01 . . . . . . 65 VAL HG1 . 15717 1 352 . 1 1 65 65 VAL HG12 H 1 0.78 0.01 . . . . . . 65 VAL HG1 . 15717 1 353 . 1 1 65 65 VAL HG13 H 1 0.78 0.01 . . . . . . 65 VAL HG1 . 15717 1 354 . 1 1 65 65 VAL HG21 H 1 0.74 0.01 . . . . . . 65 VAL HG2 . 15717 1 355 . 1 1 65 65 VAL HG22 H 1 0.74 0.01 . . . . . . 65 VAL HG2 . 15717 1 356 . 1 1 65 65 VAL HG23 H 1 0.74 0.01 . . . . . . 65 VAL HG2 . 15717 1 357 . 1 1 65 65 VAL C C 13 175.360 0.1 . . . . . . 65 VAL C . 15717 1 358 . 1 1 65 65 VAL CA C 13 61.256 0.1 . . . . . . 65 VAL CA . 15717 1 359 . 1 1 65 65 VAL CB C 13 32.532 0.1 . . . . . . 65 VAL CB . 15717 1 360 . 1 1 65 65 VAL CG1 C 13 21.9 0.1 . . . . . . 65 VAL CG1 . 15717 1 361 . 1 1 65 65 VAL CG2 C 13 19.00 0.1 . . . . . . 65 VAL CG2 . 15717 1 362 . 1 1 65 65 VAL N N 15 122.033 0.1 . . . . . . 65 VAL N . 15717 1 363 . 1 1 66 66 ALA H H 1 7.650 0.01 . . . . . . 66 ALA H . 15717 1 364 . 1 1 66 66 ALA HA H 1 4.570 0.01 . . . . . . 66 ALA HA . 15717 1 365 . 1 1 66 66 ALA HB1 H 1 1.264 0.01 . . . . . . 66 ALA HB . 15717 1 366 . 1 1 66 66 ALA HB2 H 1 1.264 0.01 . . . . . . 66 ALA HB . 15717 1 367 . 1 1 66 66 ALA HB3 H 1 1.264 0.01 . . . . . . 66 ALA HB . 15717 1 368 . 1 1 66 66 ALA C C 13 175.019 0.1 . . . . . . 66 ALA C . 15717 1 369 . 1 1 66 66 ALA CA C 13 52.030 0.1 . . . . . . 66 ALA CA . 15717 1 370 . 1 1 66 66 ALA CB C 13 22.078 0.1 . . . . . . 66 ALA CB . 15717 1 371 . 1 1 66 66 ALA N N 15 121.958 0.1 . . . . . . 66 ALA N . 15717 1 372 . 1 1 67 67 GLU H H 1 9.410 0.01 . . . . . . 67 GLU H . 15717 1 373 . 1 1 67 67 GLU HA H 1 3.875 0.01 . . . . . . 67 GLU HA . 15717 1 374 . 1 1 67 67 GLU C C 13 172.842 0.1 . . . . . . 67 GLU C . 15717 1 375 . 1 1 67 67 GLU CA C 13 55.961 0.1 . . . . . . 67 GLU CA . 15717 1 376 . 1 1 67 67 GLU CB C 13 36.522 0.1 . . . . . . 67 GLU CB . 15717 1 377 . 1 1 67 67 GLU N N 15 123.801 0.1 . . . . . . 67 GLU N . 15717 1 378 . 1 1 68 68 ALA H H 1 9.350 0.01 . . . . . . 68 ALA H . 15717 1 379 . 1 1 68 68 ALA HA H 1 4.886 0.01 . . . . . . 68 ALA HA . 15717 1 380 . 1 1 68 68 ALA HB1 H 1 1.264 0.01 . . . . . . 68 ALA HB . 15717 1 381 . 1 1 68 68 ALA HB2 H 1 1.264 0.01 . . . . . . 68 ALA HB . 15717 1 382 . 1 1 68 68 ALA HB3 H 1 1.264 0.01 . . . . . . 68 ALA HB . 15717 1 383 . 1 1 68 68 ALA C C 13 175.801 0.1 . . . . . . 68 ALA C . 15717 1 384 . 1 1 68 68 ALA CA C 13 50.881 0.1 . . . . . . 68 ALA CA . 15717 1 385 . 1 1 68 68 ALA CB C 13 22.412 0.1 . . . . . . 68 ALA CB . 15717 1 386 . 1 1 68 68 ALA N N 15 128.998 0.1 . . . . . . 68 ALA N . 15717 1 387 . 1 1 69 69 ARG H H 1 9.046 0.01 . . . . . . 69 ARG H . 15717 1 388 . 1 1 69 69 ARG HA H 1 5.36 0.01 . . . . . . 69 ARG HA . 15717 1 389 . 1 1 69 69 ARG HB2 H 1 2.14 0.01 . . . . . . 69 ARG HB1 . 15717 1 390 . 1 1 69 69 ARG HB3 H 1 1.91 0.01 . . . . . . 69 ARG HB2 . 15717 1 391 . 1 1 69 69 ARG HD2 H 1 3.31 0.01 . . . . . . 69 ARG HD1 . 15717 1 392 . 1 1 69 69 ARG HG2 H 1 1.89 0.01 . . . . . . 69 ARG HG1 . 15717 1 393 . 1 1 69 69 ARG C C 13 176.317 0.1 . . . . . . 69 ARG C . 15717 1 394 . 1 1 69 69 ARG CA C 13 54.700 0.1 . . . . . . 69 ARG CA . 15717 1 395 . 1 1 69 69 ARG CB C 13 35.2 0.1 . . . . . . 69 ARG CB . 15717 1 396 . 1 1 69 69 ARG CD C 13 43.8 0.1 . . . . . . 69 ARG CD . 15717 1 397 . 1 1 69 69 ARG N N 15 120.897 0.1 . . . . . . 69 ARG N . 15717 1 398 . 1 1 70 70 GLY H H 1 8.577 0.01 . . . . . . 70 GLY H . 15717 1 399 . 1 1 70 70 GLY HA2 H 1 4.352 0.01 . . . . . . 70 GLY HA2 . 15717 1 400 . 1 1 70 70 GLY C C 13 173.656 0.1 . . . . . . 70 GLY C . 15717 1 401 . 1 1 70 70 GLY CA C 13 45.044 0.1 . . . . . . 70 GLY CA . 15717 1 402 . 1 1 70 70 GLY N N 15 109.508 0.1 . . . . . . 70 GLY N . 15717 1 403 . 1 1 71 71 GLY H H 1 7.889 0.01 . . . . . . 71 GLY H . 15717 1 404 . 1 1 71 71 GLY CA C 13 45.13 0.1 . . . . . . 71 GLY CA . 15717 1 405 . 1 1 71 71 GLY N N 15 110.267 0.1 . . . . . . 71 GLY N . 15717 1 406 . 1 1 72 72 GLU HA H 1 4.588 0.01 . . . . . . 72 GLU HA . 15717 1 407 . 1 1 72 72 GLU HB2 H 1 2.951 0.01 . . . . . . 72 GLU HB1 . 15717 1 408 . 1 1 72 72 GLU HB3 H 1 2.272 0.01 . . . . . . 72 GLU HB2 . 15717 1 409 . 1 1 72 72 GLU HG2 H 1 2.106 0.01 . . . . . . 72 GLU HG1 . 15717 1 410 . 1 1 72 72 GLU HG3 H 1 2.969 0.01 . . . . . . 72 GLU HG2 . 15717 1 411 . 1 1 72 72 GLU C C 13 176.927 0.1 . . . . . . 72 GLU C . 15717 1 412 . 1 1 72 72 GLU CA C 13 55.139 0.1 . . . . . . 72 GLU CA . 15717 1 413 . 1 1 72 72 GLU CB C 13 30.082 0.1 . . . . . . 72 GLU CB . 15717 1 414 . 1 1 72 72 GLU CG C 13 35.753 0.1 . . . . . . 72 GLU CG . 15717 1 415 . 1 1 73 73 ARG H H 1 8.056 0.01 . . . . . . 73 ARG H . 15717 1 416 . 1 1 73 73 ARG HA H 1 4.238 0.01 . . . . . . 73 ARG HA . 15717 1 417 . 1 1 73 73 ARG HB2 H 1 1.880 0.01 . . . . . . 73 ARG HB1 . 15717 1 418 . 1 1 73 73 ARG HB3 H 1 1.726 0.01 . . . . . . 73 ARG HB2 . 15717 1 419 . 1 1 73 73 ARG HD2 H 1 3.157 0.01 . . . . . . 73 ARG HD2 . 15717 1 420 . 1 1 73 73 ARG HG2 H 1 1.549 0.01 . . . . . . 73 ARG HG1 . 15717 1 421 . 1 1 73 73 ARG C C 13 176.801 0.1 . . . . . . 73 ARG C . 15717 1 422 . 1 1 73 73 ARG CA C 13 60.223 0.1 . . . . . . 73 ARG CA . 15717 1 423 . 1 1 73 73 ARG CB C 13 30.546 0.1 . . . . . . 73 ARG CB . 15717 1 424 . 1 1 73 73 ARG CD C 13 43.767 0.1 . . . . . . 73 ARG CD . 15717 1 425 . 1 1 73 73 ARG CG C 13 27.08 0.1 . . . . . . 73 ARG CG . 15717 1 426 . 1 1 73 73 ARG N N 15 120.661 0.1 . . . . . . 73 ARG N . 15717 1 427 . 1 1 74 74 LEU H H 1 8.038 0.01 . . . . . . 74 LEU H . 15717 1 428 . 1 1 74 74 LEU CA C 13 50.647 0.1 . . . . . . 74 LEU CA . 15717 1 429 . 1 1 74 74 LEU CB C 13 43.673 0.1 . . . . . . 74 LEU CB . 15717 1 430 . 1 1 74 74 LEU N N 15 115.178 0.1 . . . . . . 74 LEU N . 15717 1 431 . 1 1 75 75 PRO HA H 1 4.450 0.01 . . . . . . 75 PRO HA . 15717 1 432 . 1 1 75 75 PRO C C 13 175.476 0.1 . . . . . . 75 PRO C . 15717 1 433 . 1 1 75 75 PRO CA C 13 61.995 0.1 . . . . . . 75 PRO CA . 15717 1 434 . 1 1 75 75 PRO CB C 13 32.943 0.1 . . . . . . 75 PRO CB . 15717 1 435 . 1 1 75 75 PRO CG C 13 27.151 0.1 . . . . . . 75 PRO CG . 15717 1 436 . 1 1 76 76 SER H H 1 8.676 0.01 . . . . . . 76 SER H . 15717 1 437 . 1 1 76 76 SER C C 13 176.742 0.1 . . . . . . 76 SER C . 15717 1 438 . 1 1 76 76 SER CA C 13 57.063 0.1 . . . . . . 76 SER CA . 15717 1 439 . 1 1 76 76 SER CB C 13 64.063 0.1 . . . . . . 76 SER CB . 15717 1 440 . 1 1 76 76 SER N N 15 112.225 0.1 . . . . . . 76 SER N . 15717 1 441 . 1 1 77 77 LEU H H 1 11.568 0.01 . . . . . . 77 LEU H . 15717 1 442 . 1 1 77 77 LEU HA H 1 4.780 0.01 . . . . . . 77 LEU HA . 15717 1 443 . 1 1 77 77 LEU HB2 H 1 0.937 0.01 . . . . . . 77 LEU HB2 . 15717 1 444 . 1 1 77 77 LEU C C 13 176.208 0.1 . . . . . . 77 LEU C . 15717 1 445 . 1 1 77 77 LEU CA C 13 53.012 0.1 . . . . . . 77 LEU CA . 15717 1 446 . 1 1 77 77 LEU CB C 13 43.258 0.1 . . . . . . 77 LEU CB . 15717 1 447 . 1 1 77 77 LEU CD1 C 13 25.967 0.1 . . . . . . 77 LEU CD1 . 15717 1 448 . 1 1 77 77 LEU N N 15 132.467 0.1 . . . . . . 77 LEU N . 15717 1 449 . 1 1 78 78 LEU H H 1 7.525 0.01 . . . . . . 78 LEU H . 15717 1 450 . 1 1 78 78 LEU HA H 1 3.567 0.01 . . . . . . 78 LEU HA . 15717 1 451 . 1 1 78 78 LEU HB2 H 1 1.68 0.01 . . . . . . 78 LEU HB1 . 15717 1 452 . 1 1 78 78 LEU HB3 H 1 1.29 0.01 . . . . . . 78 LEU HB2 . 15717 1 453 . 1 1 78 78 LEU HD11 H 1 0.934 0.01 . . . . . . 78 LEU HD1 . 15717 1 454 . 1 1 78 78 LEU HD12 H 1 0.934 0.01 . . . . . . 78 LEU HD1 . 15717 1 455 . 1 1 78 78 LEU HD13 H 1 0.934 0.01 . . . . . . 78 LEU HD1 . 15717 1 456 . 1 1 78 78 LEU HD21 H 1 0.725 0.01 . . . . . . 78 LEU HD2 . 15717 1 457 . 1 1 78 78 LEU HD22 H 1 0.725 0.01 . . . . . . 78 LEU HD2 . 15717 1 458 . 1 1 78 78 LEU HD23 H 1 0.725 0.01 . . . . . . 78 LEU HD2 . 15717 1 459 . 1 1 78 78 LEU HG H 1 1.48 0.01 . . . . . . 78 LEU HG . 15717 1 460 . 1 1 78 78 LEU C C 13 177.708 0.1 . . . . . . 78 LEU C . 15717 1 461 . 1 1 78 78 LEU CA C 13 57.341 0.1 . . . . . . 78 LEU CA . 15717 1 462 . 1 1 78 78 LEU CB C 13 41.650 0.1 . . . . . . 78 LEU CB . 15717 1 463 . 1 1 78 78 LEU CD1 C 13 25.990 0.1 . . . . . . 78 LEU CD1 . 15717 1 464 . 1 1 78 78 LEU CD2 C 13 22.7 0.1 . . . . . . 78 LEU CD2 . 15717 1 465 . 1 1 78 78 LEU CG C 13 26.2 0.1 . . . . . . 78 LEU CG . 15717 1 466 . 1 1 78 78 LEU N N 15 121.087 0.1 . . . . . . 78 LEU N . 15717 1 467 . 1 1 79 79 GLY H H 1 8.863 0.01 . . . . . . 79 GLY H . 15717 1 468 . 1 1 79 79 GLY HA2 H 1 3.616 0.01 . . . . . . 79 GLY HA1 . 15717 1 469 . 1 1 79 79 GLY HA3 H 1 4.236 0.01 . . . . . . 79 GLY HA2 . 15717 1 470 . 1 1 79 79 GLY C C 13 173.992 0.1 . . . . . . 79 GLY C . 15717 1 471 . 1 1 79 79 GLY CA C 13 45.039 0.1 . . . . . . 79 GLY CA . 15717 1 472 . 1 1 79 79 GLY N N 15 114.348 0.1 . . . . . . 79 GLY N . 15717 1 473 . 1 1 80 80 LEU H H 1 8.154 0.01 . . . . . . 80 LEU H . 15717 1 474 . 1 1 80 80 LEU HA H 1 4.37 0.01 . . . . . . 80 LEU HA . 15717 1 475 . 1 1 80 80 LEU HB2 H 1 2.01 0.01 . . . . . . 80 LEU HB1 . 15717 1 476 . 1 1 80 80 LEU HB3 H 1 1.16 0.01 . . . . . . 80 LEU HB2 . 15717 1 477 . 1 1 80 80 LEU HD11 H 1 0.94 0.01 . . . . . . 80 LEU HD1 . 15717 1 478 . 1 1 80 80 LEU HD12 H 1 0.94 0.01 . . . . . . 80 LEU HD1 . 15717 1 479 . 1 1 80 80 LEU HD13 H 1 0.94 0.01 . . . . . . 80 LEU HD1 . 15717 1 480 . 1 1 80 80 LEU HD21 H 1 0.78 0.01 . . . . . . 80 LEU HD2 . 15717 1 481 . 1 1 80 80 LEU HD22 H 1 0.78 0.01 . . . . . . 80 LEU HD2 . 15717 1 482 . 1 1 80 80 LEU HD23 H 1 0.78 0.01 . . . . . . 80 LEU HD2 . 15717 1 483 . 1 1 80 80 LEU HG H 1 1.44 0.01 . . . . . . 80 LEU HG . 15717 1 484 . 1 1 80 80 LEU C C 13 176.045 0.1 . . . . . . 80 LEU C . 15717 1 485 . 1 1 80 80 LEU CA C 13 55.238 0.1 . . . . . . 80 LEU CA . 15717 1 486 . 1 1 80 80 LEU CB C 13 42.243 0.1 . . . . . . 80 LEU CB . 15717 1 487 . 1 1 80 80 LEU CD1 C 13 25.715 0.1 . . . . . . 80 LEU CD1 . 15717 1 488 . 1 1 80 80 LEU CD2 C 13 22.548 0.1 . . . . . . 80 LEU CD2 . 15717 1 489 . 1 1 80 80 LEU CG C 13 27.37 0.1 . . . . . . 80 LEU CG . 15717 1 490 . 1 1 80 80 LEU N N 15 121.504 0.1 . . . . . . 80 LEU N . 15717 1 491 . 1 1 81 81 THR H H 1 7.965 0.01 . . . . . . 81 THR H . 15717 1 492 . 1 1 81 81 THR HA H 1 5.65 0.01 . . . . . . 81 THR HA . 15717 1 493 . 1 1 81 81 THR HB H 1 3.776 0.01 . . . . . . 81 THR HB . 15717 1 494 . 1 1 81 81 THR HG21 H 1 1.117 0.01 . . . . . . 81 THR HG2 . 15717 1 495 . 1 1 81 81 THR HG22 H 1 1.117 0.01 . . . . . . 81 THR HG2 . 15717 1 496 . 1 1 81 81 THR HG23 H 1 1.117 0.01 . . . . . . 81 THR HG2 . 15717 1 497 . 1 1 81 81 THR C C 13 174.184 0.1 . . . . . . 81 THR C . 15717 1 498 . 1 1 81 81 THR CA C 13 60.441 0.1 . . . . . . 81 THR CA . 15717 1 499 . 1 1 81 81 THR CB C 13 71.393 0.1 . . . . . . 81 THR CB . 15717 1 500 . 1 1 81 81 THR CG2 C 13 21.605 0.1 . . . . . . 81 THR CG2 . 15717 1 501 . 1 1 81 81 THR N N 15 115.963 0.1 . . . . . . 81 THR N . 15717 1 502 . 1 1 82 82 PHE H H 1 9.479 0.01 . . . . . . 82 PHE H . 15717 1 503 . 1 1 82 82 PHE HD1 H 1 7.53 0.01 . . . . . . 82 PHE HD1 . 15717 1 504 . 1 1 82 82 PHE HE1 H 1 7.28 0.01 . . . . . . 82 PHE HE1 . 15717 1 505 . 1 1 82 82 PHE HZ H 1 7.22 0.01 . . . . . . 82 PHE HZ . 15717 1 506 . 1 1 82 82 PHE CA C 13 55.279 0.1 . . . . . . 82 PHE CA . 15717 1 507 . 1 1 82 82 PHE CB C 13 39.237 0.1 . . . . . . 82 PHE CB . 15717 1 508 . 1 1 82 82 PHE CD1 C 13 132.7 0.1 . . . . . . 82 PHE CD1 . 15717 1 509 . 1 1 82 82 PHE CE1 C 13 130.8 0.1 . . . . . . 82 PHE CE1 . 15717 1 510 . 1 1 82 82 PHE N N 15 126.356 0.1 . . . . . . 82 PHE N . 15717 1 511 . 1 1 84 84 ALA HA H 1 3.83 0.01 . . . . . . 84 ALA HA . 15717 1 512 . 1 1 84 84 ALA HB1 H 1 1.24 0.01 . . . . . . 84 ALA HB . 15717 1 513 . 1 1 84 84 ALA HB2 H 1 1.24 0.01 . . . . . . 84 ALA HB . 15717 1 514 . 1 1 84 84 ALA HB3 H 1 1.24 0.01 . . . . . . 84 ALA HB . 15717 1 515 . 1 1 84 84 ALA C C 13 180.663 0.1 . . . . . . 84 ALA C . 15717 1 516 . 1 1 84 84 ALA CA C 13 54.748 0.1 . . . . . . 84 ALA CA . 15717 1 517 . 1 1 84 84 ALA CB C 13 18.430 0.1 . . . . . . 84 ALA CB . 15717 1 518 . 1 1 85 85 GLY H H 1 8.450 0.01 . . . . . . 85 GLY H . 15717 1 519 . 1 1 85 85 GLY HA2 H 1 3.705 0.01 . . . . . . 85 GLY HA1 . 15717 1 520 . 1 1 85 85 GLY C C 13 173.497 0.1 . . . . . . 85 GLY C . 15717 1 521 . 1 1 85 85 GLY CA C 13 45.975 0.1 . . . . . . 85 GLY CA . 15717 1 522 . 1 1 85 85 GLY N N 15 134.155 0.1 . . . . . . 85 GLY N . 15717 1 523 . 1 1 86 86 ASP H H 1 7.353 0.01 . . . . . . 86 ASP H . 15717 1 524 . 1 1 86 86 ASP HA H 1 4.055 0.01 . . . . . . 86 ASP HA . 15717 1 525 . 1 1 86 86 ASP HB2 H 1 2.70 0.01 . . . . . . 86 ASP HB1 . 15717 1 526 . 1 1 86 86 ASP HB3 H 1 2.575 0.01 . . . . . . 86 ASP HB2 . 15717 1 527 . 1 1 86 86 ASP C C 13 175.980 0.1 . . . . . . 86 ASP C . 15717 1 528 . 1 1 86 86 ASP CA C 13 56.648 0.1 . . . . . . 86 ASP CA . 15717 1 529 . 1 1 86 86 ASP CB C 13 39.576 0.1 . . . . . . 86 ASP CB . 15717 1 530 . 1 1 86 86 ASP N N 15 120.142 0.1 . . . . . . 86 ASP N . 15717 1 531 . 1 1 87 87 ILE H H 1 7.285 0.01 . . . . . . 87 ILE H . 15717 1 532 . 1 1 87 87 ILE HA H 1 3.72 0.01 . . . . . . 87 ILE HA . 15717 1 533 . 1 1 87 87 ILE HB H 1 1.75 0.01 . . . . . . 87 ILE HB . 15717 1 534 . 1 1 87 87 ILE HG21 H 1 0.76 0.01 . . . . . . 87 ILE HG2 . 15717 1 535 . 1 1 87 87 ILE HG22 H 1 0.76 0.01 . . . . . . 87 ILE HG2 . 15717 1 536 . 1 1 87 87 ILE HG23 H 1 0.76 0.01 . . . . . . 87 ILE HG2 . 15717 1 537 . 1 1 87 87 ILE CA C 13 58.002 0.1 . . . . . . 87 ILE CA . 15717 1 538 . 1 1 87 87 ILE CB C 13 38.146 0.1 . . . . . . 87 ILE CB . 15717 1 539 . 1 1 87 87 ILE N N 15 114.934 0.1 . . . . . . 87 ILE N . 15717 1 540 . 1 1 90 90 GLU HA H 1 3.907 0.01 . . . . . . 90 GLU HA . 15717 1 541 . 1 1 90 90 GLU HB2 H 1 1.837 0.01 . . . . . . 90 GLU HB1 . 15717 1 542 . 1 1 90 90 GLU HG2 H 1 2.341 0.01 . . . . . . 90 GLU HG1 . 15717 1 543 . 1 1 90 90 GLU HG3 H 1 2.221 0.01 . . . . . . 90 GLU HG2 . 15717 1 544 . 1 1 90 90 GLU C C 13 178.475 0.1 . . . . . . 90 GLU C . 15717 1 545 . 1 1 90 90 GLU CA C 13 60.267 0.1 . . . . . . 90 GLU CA . 15717 1 546 . 1 1 90 90 GLU CB C 13 28.499 0.1 . . . . . . 90 GLU CB . 15717 1 547 . 1 1 90 90 GLU CG C 13 36.147 0.1 . . . . . . 90 GLU CG . 15717 1 548 . 1 1 91 91 ALA H H 1 6.907 0.01 . . . . . . 91 ALA H . 15717 1 549 . 1 1 91 91 ALA HA H 1 3.902 0.01 . . . . . . 91 ALA HA . 15717 1 550 . 1 1 91 91 ALA HB1 H 1 1.122 0.01 . . . . . . 91 ALA HB . 15717 1 551 . 1 1 91 91 ALA HB2 H 1 1.122 0.01 . . . . . . 91 ALA HB . 15717 1 552 . 1 1 91 91 ALA HB3 H 1 1.122 0.01 . . . . . . 91 ALA HB . 15717 1 553 . 1 1 91 91 ALA C C 13 180.248 0.1 . . . . . . 91 ALA C . 15717 1 554 . 1 1 91 91 ALA CA C 13 54.019 0.1 . . . . . . 91 ALA CA . 15717 1 555 . 1 1 91 91 ALA CB C 13 17.372 0.1 . . . . . . 91 ALA CB . 15717 1 556 . 1 1 91 91 ALA N N 15 119.987 0.1 . . . . . . 91 ALA N . 15717 1 557 . 1 1 92 92 ARG H H 1 7.571 0.01 . . . . . . 92 ARG H . 15717 1 558 . 1 1 92 92 ARG C C 13 177.723 0.1 . . . . . . 92 ARG C . 15717 1 559 . 1 1 92 92 ARG CA C 13 60.818 0.1 . . . . . . 92 ARG CA . 15717 1 560 . 1 1 92 92 ARG CB C 13 29.593 0.1 . . . . . . 92 ARG CB . 15717 1 561 . 1 1 92 92 ARG N N 15 118.368 0.1 . . . . . . 92 ARG N . 15717 1 562 . 1 1 93 93 ARG H H 1 8.610 0.01 . . . . . . 93 ARG H . 15717 1 563 . 1 1 93 93 ARG HA H 1 3.902 0.01 . . . . . . 93 ARG HA . 15717 1 564 . 1 1 93 93 ARG HB2 H 1 1.823 0.01 . . . . . . 93 ARG HB1 . 15717 1 565 . 1 1 93 93 ARG HD2 H 1 3.187 0.01 . . . . . . 93 ARG HD2 . 15717 1 566 . 1 1 93 93 ARG HG2 H 1 1.666 0.01 . . . . . . 93 ARG HG1 . 15717 1 567 . 1 1 93 93 ARG C C 13 177.892 0.1 . . . . . . 93 ARG C . 15717 1 568 . 1 1 93 93 ARG CA C 13 59.763 0.1 . . . . . . 93 ARG CA . 15717 1 569 . 1 1 93 93 ARG CB C 13 30.212 0.1 . . . . . . 93 ARG CB . 15717 1 570 . 1 1 93 93 ARG CD C 13 43.306 0.1 . . . . . . 93 ARG CD . 15717 1 571 . 1 1 93 93 ARG CG C 13 27.841 0.1 . . . . . . 93 ARG CG . 15717 1 572 . 1 1 93 93 ARG N N 15 119.538 0.1 . . . . . . 93 ARG N . 15717 1 573 . 1 1 94 94 LEU H H 1 7.438 0.01 . . . . . . 94 LEU H . 15717 1 574 . 1 1 94 94 LEU HA H 1 4.046 0.01 . . . . . . 94 LEU HA . 15717 1 575 . 1 1 94 94 LEU HB2 H 1 1.51 0.01 . . . . . . 94 LEU HB1 . 15717 1 576 . 1 1 94 94 LEU HB3 H 1 1.36 0.01 . . . . . . 94 LEU HB2 . 15717 1 577 . 1 1 94 94 LEU HD11 H 1 0.753 0.01 . . . . . . 94 LEU HD1 . 15717 1 578 . 1 1 94 94 LEU HD12 H 1 0.753 0.01 . . . . . . 94 LEU HD1 . 15717 1 579 . 1 1 94 94 LEU HD13 H 1 0.753 0.01 . . . . . . 94 LEU HD1 . 15717 1 580 . 1 1 94 94 LEU HD21 H 1 0.67 0.01 . . . . . . 94 LEU HD2 . 15717 1 581 . 1 1 94 94 LEU HD22 H 1 0.67 0.01 . . . . . . 94 LEU HD2 . 15717 1 582 . 1 1 94 94 LEU HD23 H 1 0.67 0.01 . . . . . . 94 LEU HD2 . 15717 1 583 . 1 1 94 94 LEU C C 13 180.697 0.1 . . . . . . 94 LEU C . 15717 1 584 . 1 1 94 94 LEU CA C 13 57.805 0.1 . . . . . . 94 LEU CA . 15717 1 585 . 1 1 94 94 LEU CB C 13 41.436 0.1 . . . . . . 94 LEU CB . 15717 1 586 . 1 1 94 94 LEU CD1 C 13 24.2 0.1 . . . . . . 94 LEU CD1 . 15717 1 587 . 1 1 94 94 LEU CD2 C 13 24.75 0.1 . . . . . . 94 LEU CD2 . 15717 1 588 . 1 1 94 94 LEU N N 15 118.965 0.1 . . . . . . 94 LEU N . 15717 1 589 . 1 1 95 95 PHE H H 1 7.709 0.01 . . . . . . 95 PHE H . 15717 1 590 . 1 1 95 95 PHE HA H 1 4.45 0.01 . . . . . . 95 PHE HA . 15717 1 591 . 1 1 95 95 PHE HB2 H 1 3.33 0.01 . . . . . . 95 PHE HB1 . 15717 1 592 . 1 1 95 95 PHE HB3 H 1 3.07 0.01 . . . . . . 95 PHE HB2 . 15717 1 593 . 1 1 95 95 PHE HD1 H 1 7.43 0.01 . . . . . . 95 PHE HD1 . 15717 1 594 . 1 1 95 95 PHE HE1 H 1 7.22 0.01 . . . . . . 95 PHE HE1 . 15717 1 595 . 1 1 95 95 PHE C C 13 176.838 0.1 . . . . . . 95 PHE C . 15717 1 596 . 1 1 95 95 PHE CA C 13 60.908 0.1 . . . . . . 95 PHE CA . 15717 1 597 . 1 1 95 95 PHE CB C 13 40.278 0.1 . . . . . . 95 PHE CB . 15717 1 598 . 1 1 95 95 PHE CD1 C 13 132.45 0.1 . . . . . . 95 PHE CD1 . 15717 1 599 . 1 1 95 95 PHE CE1 C 13 130.8 0.1 . . . . . . 95 PHE CE1 . 15717 1 600 . 1 1 95 95 PHE N N 15 116.956 0.1 . . . . . . 95 PHE N . 15717 1 601 . 1 1 96 96 ARG H H 1 8.209 0.01 . . . . . . 96 ARG H . 15717 1 602 . 1 1 96 96 ARG HA H 1 3.988 0.01 . . . . . . 96 ARG HA . 15717 1 603 . 1 1 96 96 ARG HB2 H 1 1.944 0.01 . . . . . . 96 ARG HB1 . 15717 1 604 . 1 1 96 96 ARG HB3 H 1 1.686 0.01 . . . . . . 96 ARG HB2 . 15717 1 605 . 1 1 96 96 ARG HD2 H 1 3.402 0.01 . . . . . . 96 ARG HD2 . 15717 1 606 . 1 1 96 96 ARG C C 13 177.304 0.1 . . . . . . 96 ARG C . 15717 1 607 . 1 1 96 96 ARG CA C 13 59.685 0.1 . . . . . . 96 ARG CA . 15717 1 608 . 1 1 96 96 ARG CB C 13 31.851 0.1 . . . . . . 96 ARG CB . 15717 1 609 . 1 1 96 96 ARG CD C 13 43.550 0.1 . . . . . . 96 ARG CD . 15717 1 610 . 1 1 96 96 ARG CG C 13 28.457 0.1 . . . . . . 96 ARG CG . 15717 1 611 . 1 1 96 96 ARG N N 15 116.384 0.1 . . . . . . 96 ARG N . 15717 1 612 . 1 1 97 97 LEU H H 1 8.775 0.01 . . . . . . 97 LEU H . 15717 1 613 . 1 1 97 97 LEU HA H 1 4.42 0.01 . . . . . . 97 LEU HA . 15717 1 614 . 1 1 97 97 LEU HB2 H 1 1.800 0.01 . . . . . . 97 LEU HB1 . 15717 1 615 . 1 1 97 97 LEU HB3 H 1 1.51 0.01 . . . . . . 97 LEU HB2 . 15717 1 616 . 1 1 97 97 LEU HD11 H 1 0.89 0.01 . . . . . . 97 LEU HD1 . 15717 1 617 . 1 1 97 97 LEU HD12 H 1 0.89 0.01 . . . . . . 97 LEU HD1 . 15717 1 618 . 1 1 97 97 LEU HD13 H 1 0.89 0.01 . . . . . . 97 LEU HD1 . 15717 1 619 . 1 1 97 97 LEU HG H 1 1.74 0.01 . . . . . . 97 LEU HG . 15717 1 620 . 1 1 97 97 LEU C C 13 178.442 0.1 . . . . . . 97 LEU C . 15717 1 621 . 1 1 97 97 LEU CA C 13 56.420 0.1 . . . . . . 97 LEU CA . 15717 1 622 . 1 1 97 97 LEU CB C 13 42.846 0.1 . . . . . . 97 LEU CB . 15717 1 623 . 1 1 97 97 LEU CD1 C 13 25.093 0.1 . . . . . . 97 LEU CD1 . 15717 1 624 . 1 1 97 97 LEU CG C 13 27.3 0.1 . . . . . . 97 LEU CG . 15717 1 625 . 1 1 97 97 LEU N N 15 115.154 0.1 . . . . . . 97 LEU N . 15717 1 626 . 1 1 98 98 ALA H H 1 7.567 0.01 . . . . . . 98 ALA H . 15717 1 627 . 1 1 98 98 ALA HA H 1 4.75 0.01 . . . . . . 98 ALA HA . 15717 1 628 . 1 1 98 98 ALA HB1 H 1 1.406 0.01 . . . . . . 98 ALA HB . 15717 1 629 . 1 1 98 98 ALA HB2 H 1 1.406 0.01 . . . . . . 98 ALA HB . 15717 1 630 . 1 1 98 98 ALA HB3 H 1 1.406 0.01 . . . . . . 98 ALA HB . 15717 1 631 . 1 1 98 98 ALA C C 13 175.228 0.1 . . . . . . 98 ALA C . 15717 1 632 . 1 1 98 98 ALA CA C 13 51.267 0.1 . . . . . . 98 ALA CA . 15717 1 633 . 1 1 98 98 ALA CB C 13 21.405 0.1 . . . . . . 98 ALA CB . 15717 1 634 . 1 1 98 98 ALA N N 15 118.296 0.1 . . . . . . 98 ALA N . 15717 1 635 . 1 1 99 99 GLN H H 1 7.700 0.01 . . . . . . 99 GLN H . 15717 1 636 . 1 1 99 99 GLN HA H 1 4.366 0.01 . . . . . . 99 GLN HA . 15717 1 637 . 1 1 99 99 GLN HE21 H 1 7.42 0.01 . . . . . . 99 GLN HE21 . 15717 1 638 . 1 1 99 99 GLN HE22 H 1 6.85 0.01 . . . . . . 99 GLN HE22 . 15717 1 639 . 1 1 99 99 GLN HG2 H 1 2.589 0.01 . . . . . . 99 GLN HG1 . 15717 1 640 . 1 1 99 99 GLN HG3 H 1 2.316 0.01 . . . . . . 99 GLN HG2 . 15717 1 641 . 1 1 99 99 GLN C C 13 175.116 0.1 . . . . . . 99 GLN C . 15717 1 642 . 1 1 99 99 GLN CA C 13 57.718 0.1 . . . . . . 99 GLN CA . 15717 1 643 . 1 1 99 99 GLN CB C 13 26.801 0.1 . . . . . . 99 GLN CB . 15717 1 644 . 1 1 99 99 GLN CG C 13 35.926 0.1 . . . . . . 99 GLN CG . 15717 1 645 . 1 1 99 99 GLN N N 15 114.199 0.1 . . . . . . 99 GLN N . 15717 1 646 . 1 1 99 99 GLN NE2 N 15 111.7 0.1 . . . . . . 99 GLN NE2 . 15717 1 647 . 1 1 100 100 VAL H H 1 6.460 0.01 . . . . . . 100 VAL H . 15717 1 648 . 1 1 100 100 VAL HA H 1 4.27 0.01 . . . . . . 100 VAL HA . 15717 1 649 . 1 1 100 100 VAL HB H 1 1.83 0.01 . . . . . . 100 VAL HB . 15717 1 650 . 1 1 100 100 VAL HG11 H 1 0.71 0.01 . . . . . . 100 VAL HG1 . 15717 1 651 . 1 1 100 100 VAL HG12 H 1 0.71 0.01 . . . . . . 100 VAL HG1 . 15717 1 652 . 1 1 100 100 VAL HG13 H 1 0.71 0.01 . . . . . . 100 VAL HG1 . 15717 1 653 . 1 1 100 100 VAL HG21 H 1 0.60 0.01 . . . . . . 100 VAL HG2 . 15717 1 654 . 1 1 100 100 VAL HG22 H 1 0.60 0.01 . . . . . . 100 VAL HG2 . 15717 1 655 . 1 1 100 100 VAL HG23 H 1 0.60 0.01 . . . . . . 100 VAL HG2 . 15717 1 656 . 1 1 100 100 VAL C C 13 173.294 0.1 . . . . . . 100 VAL C . 15717 1 657 . 1 1 100 100 VAL CA C 13 61.684 0.1 . . . . . . 100 VAL CA . 15717 1 658 . 1 1 100 100 VAL CB C 13 32.238 0.1 . . . . . . 100 VAL CB . 15717 1 659 . 1 1 100 100 VAL CG1 C 13 23.0 0.1 . . . . . . 100 VAL CG1 . 15717 1 660 . 1 1 100 100 VAL CG2 C 13 20.1 0.1 . . . . . . 100 VAL CG2 . 15717 1 661 . 1 1 100 100 VAL N N 15 107.978 0.1 . . . . . . 100 VAL N . 15717 1 662 . 1 1 101 101 ARG H H 1 8.414 0.01 . . . . . . 101 ARG H . 15717 1 663 . 1 1 101 101 ARG HA H 1 5.334 0.01 . . . . . . 101 ARG HA . 15717 1 664 . 1 1 101 101 ARG C C 13 177.183 0.1 . . . . . . 101 ARG C . 15717 1 665 . 1 1 101 101 ARG CA C 13 56.026 0.1 . . . . . . 101 ARG CA . 15717 1 666 . 1 1 101 101 ARG CB C 13 26.707 0.1 . . . . . . 101 ARG CB . 15717 1 667 . 1 1 101 101 ARG N N 15 116.572 0.1 . . . . . . 101 ARG N . 15717 1 668 . 1 1 102 102 VAL H H 1 8.776 0.01 . . . . . . 102 VAL H . 15717 1 669 . 1 1 102 102 VAL HA H 1 4.71 0.01 . . . . . . 102 VAL HA . 15717 1 670 . 1 1 102 102 VAL HB H 1 1.96 0.01 . . . . . . 102 VAL HB . 15717 1 671 . 1 1 102 102 VAL HG11 H 1 0.84 0.01 . . . . . . 102 VAL HG1 . 15717 1 672 . 1 1 102 102 VAL HG12 H 1 0.84 0.01 . . . . . . 102 VAL HG1 . 15717 1 673 . 1 1 102 102 VAL HG13 H 1 0.84 0.01 . . . . . . 102 VAL HG1 . 15717 1 674 . 1 1 102 102 VAL HG21 H 1 0.82 0.01 . . . . . . 102 VAL HG2 . 15717 1 675 . 1 1 102 102 VAL HG22 H 1 0.82 0.01 . . . . . . 102 VAL HG2 . 15717 1 676 . 1 1 102 102 VAL HG23 H 1 0.82 0.01 . . . . . . 102 VAL HG2 . 15717 1 677 . 1 1 102 102 VAL C C 13 175.819 0.1 . . . . . . 102 VAL C . 15717 1 678 . 1 1 102 102 VAL CA C 13 61.739 0.1 . . . . . . 102 VAL CA . 15717 1 679 . 1 1 102 102 VAL CB C 13 34.848 0.1 . . . . . . 102 VAL CB . 15717 1 680 . 1 1 102 102 VAL CG1 C 13 21.7 0.1 . . . . . . 102 VAL CG1 . 15717 1 681 . 1 1 102 102 VAL N N 15 121.380 0.1 . . . . . . 102 VAL N . 15717 1 682 . 1 1 103 103 ILE H H 1 9.291 0.01 . . . . . . 103 ILE H . 15717 1 683 . 1 1 103 103 ILE HA H 1 5.380 0.01 . . . . . . 103 ILE HA . 15717 1 684 . 1 1 103 103 ILE HB H 1 1.78 0.01 . . . . . . 103 ILE HB . 15717 1 685 . 1 1 103 103 ILE HD11 H 1 0.94 0.01 . . . . . . 103 ILE HD1 . 15717 1 686 . 1 1 103 103 ILE HD12 H 1 0.94 0.01 . . . . . . 103 ILE HD1 . 15717 1 687 . 1 1 103 103 ILE HD13 H 1 0.94 0.01 . . . . . . 103 ILE HD1 . 15717 1 688 . 1 1 103 103 ILE HG12 H 1 1.51 0.01 . . . . . . 103 ILE HG11 . 15717 1 689 . 1 1 103 103 ILE HG13 H 1 0.77 0.01 . . . . . . 103 ILE HG12 . 15717 1 690 . 1 1 103 103 ILE HG21 H 1 1.05 0.01 . . . . . . 103 ILE HG2 . 15717 1 691 . 1 1 103 103 ILE HG22 H 1 1.05 0.01 . . . . . . 103 ILE HG2 . 15717 1 692 . 1 1 103 103 ILE HG23 H 1 1.05 0.01 . . . . . . 103 ILE HG2 . 15717 1 693 . 1 1 103 103 ILE C C 13 176.095 0.1 . . . . . . 103 ILE C . 15717 1 694 . 1 1 103 103 ILE CA C 13 59.927 0.1 . . . . . . 103 ILE CA . 15717 1 695 . 1 1 103 103 ILE CB C 13 40.881 0.1 . . . . . . 103 ILE CB . 15717 1 696 . 1 1 103 103 ILE CD1 C 13 15.2 0.1 . . . . . . 103 ILE CD1 . 15717 1 697 . 1 1 103 103 ILE CG1 C 13 29.3 0.1 . . . . . . 103 ILE CG1 . 15717 1 698 . 1 1 103 103 ILE CG2 C 13 18.095 0.1 . . . . . . 103 ILE CG2 . 15717 1 699 . 1 1 103 103 ILE N N 15 131.190 0.1 . . . . . . 103 ILE N . 15717 1 700 . 1 1 104 104 VAL H H 1 9.637 0.01 . . . . . . 104 VAL H . 15717 1 701 . 1 1 104 104 VAL HA H 1 4.877 0.01 . . . . . . 104 VAL HA . 15717 1 702 . 1 1 104 104 VAL HB H 1 1.78 0.01 . . . . . . 104 VAL HB . 15717 1 703 . 1 1 104 104 VAL HG11 H 1 1.09 0.01 . . . . . . 104 VAL HG1 . 15717 1 704 . 1 1 104 104 VAL HG12 H 1 1.09 0.01 . . . . . . 104 VAL HG1 . 15717 1 705 . 1 1 104 104 VAL HG13 H 1 1.09 0.01 . . . . . . 104 VAL HG1 . 15717 1 706 . 1 1 104 104 VAL HG21 H 1 0.62 0.01 . . . . . . 104 VAL HG2 . 15717 1 707 . 1 1 104 104 VAL HG22 H 1 0.62 0.01 . . . . . . 104 VAL HG2 . 15717 1 708 . 1 1 104 104 VAL HG23 H 1 0.62 0.01 . . . . . . 104 VAL HG2 . 15717 1 709 . 1 1 104 104 VAL C C 13 175.065 0.1 . . . . . . 104 VAL C . 15717 1 710 . 1 1 104 104 VAL CA C 13 61.418 0.1 . . . . . . 104 VAL CA . 15717 1 711 . 1 1 104 104 VAL CB C 13 34.870 0.1 . . . . . . 104 VAL CB . 15717 1 712 . 1 1 104 104 VAL CG1 C 13 23.3 0.1 . . . . . . 104 VAL CG1 . 15717 1 713 . 1 1 104 104 VAL CG2 C 13 21.4 0.1 . . . . . . 104 VAL CG2 . 15717 1 714 . 1 1 104 104 VAL N N 15 128.432 0.1 . . . . . . 104 VAL N . 15717 1 715 . 1 1 105 105 ASP H H 1 8.545 0.01 . . . . . . 105 ASP H . 15717 1 716 . 1 1 105 105 ASP HA H 1 4.950 0.01 . . . . . . 105 ASP HA . 15717 1 717 . 1 1 105 105 ASP HB2 H 1 3.03 0.01 . . . . . . 105 ASP HB1 . 15717 1 718 . 1 1 105 105 ASP HB3 H 1 2.51 0.01 . . . . . . 105 ASP HB2 . 15717 1 719 . 1 1 105 105 ASP C C 13 176.413 0.1 . . . . . . 105 ASP C . 15717 1 720 . 1 1 105 105 ASP CA C 13 52.702 0.1 . . . . . . 105 ASP CA . 15717 1 721 . 1 1 105 105 ASP CB C 13 42.089 0.1 . . . . . . 105 ASP CB . 15717 1 722 . 1 1 105 105 ASP N N 15 128.919 0.1 . . . . . . 105 ASP N . 15717 1 723 . 1 1 106 106 VAL H H 1 7.915 0.01 . . . . . . 106 VAL H . 15717 1 724 . 1 1 106 106 VAL HA H 1 3.15 0.01 . . . . . . 106 VAL HA . 15717 1 725 . 1 1 106 106 VAL HB H 1 1.967 0.01 . . . . . . 106 VAL HB . 15717 1 726 . 1 1 106 106 VAL HG11 H 1 0.84 0.01 . . . . . . 106 VAL HG1 . 15717 1 727 . 1 1 106 106 VAL HG12 H 1 0.84 0.01 . . . . . . 106 VAL HG1 . 15717 1 728 . 1 1 106 106 VAL HG13 H 1 0.84 0.01 . . . . . . 106 VAL HG1 . 15717 1 729 . 1 1 106 106 VAL HG21 H 1 0.78 0.01 . . . . . . 106 VAL HG2 . 15717 1 730 . 1 1 106 106 VAL HG22 H 1 0.78 0.01 . . . . . . 106 VAL HG2 . 15717 1 731 . 1 1 106 106 VAL HG23 H 1 0.78 0.01 . . . . . . 106 VAL HG2 . 15717 1 732 . 1 1 106 106 VAL C C 13 177.274 0.1 . . . . . . 106 VAL C . 15717 1 733 . 1 1 106 106 VAL CA C 13 67.173 0.1 . . . . . . 106 VAL CA . 15717 1 734 . 1 1 106 106 VAL CB C 13 32.694 0.1 . . . . . . 106 VAL CB . 15717 1 735 . 1 1 106 106 VAL CG1 C 13 21.4 0.1 . . . . . . 106 VAL CG1 . 15717 1 736 . 1 1 106 106 VAL CG2 C 13 23.6 0.1 . . . . . . 106 VAL CG2 . 15717 1 737 . 1 1 106 106 VAL N N 15 124.337 0.1 . . . . . . 106 VAL N . 15717 1 738 . 1 1 107 107 GLU H H 1 8.533 0.01 . . . . . . 107 GLU H . 15717 1 739 . 1 1 107 107 GLU HA H 1 4.010 0.01 . . . . . . 107 GLU HA . 15717 1 740 . 1 1 107 107 GLU HB2 H 1 2.043 0.01 . . . . . . 107 GLU HB1 . 15717 1 741 . 1 1 107 107 GLU HB3 H 1 2.297 0.01 . . . . . . 107 GLU HB2 . 15717 1 742 . 1 1 107 107 GLU HG2 H 1 2.297 0.01 . . . . . . 107 GLU HG1 . 15717 1 743 . 1 1 107 107 GLU HG3 H 1 2.221 0.01 . . . . . . 107 GLU HG2 . 15717 1 744 . 1 1 107 107 GLU C C 13 178.426 0.1 . . . . . . 107 GLU C . 15717 1 745 . 1 1 107 107 GLU CA C 13 59.222 0.1 . . . . . . 107 GLU CA . 15717 1 746 . 1 1 107 107 GLU CB C 13 29.242 0.1 . . . . . . 107 GLU CB . 15717 1 747 . 1 1 107 107 GLU CG C 13 36.207 0.1 . . . . . . 107 GLU CG . 15717 1 748 . 1 1 107 107 GLU N N 15 120.478 0.1 . . . . . . 107 GLU N . 15717 1 749 . 1 1 108 108 ALA H H 1 7.901 0.01 . . . . . . 108 ALA H . 15717 1 750 . 1 1 108 108 ALA HA H 1 4.20 0.01 . . . . . . 108 ALA HA . 15717 1 751 . 1 1 108 108 ALA HB1 H 1 1.25 0.01 . . . . . . 108 ALA HB . 15717 1 752 . 1 1 108 108 ALA HB2 H 1 1.25 0.01 . . . . . . 108 ALA HB . 15717 1 753 . 1 1 108 108 ALA HB3 H 1 1.25 0.01 . . . . . . 108 ALA HB . 15717 1 754 . 1 1 108 108 ALA C C 13 176.434 0.1 . . . . . . 108 ALA C . 15717 1 755 . 1 1 108 108 ALA CA C 13 51.866 0.1 . . . . . . 108 ALA CA . 15717 1 756 . 1 1 108 108 ALA CB C 13 18.750 0.1 . . . . . . 108 ALA CB . 15717 1 757 . 1 1 108 108 ALA N N 15 119.431 0.1 . . . . . . 108 ALA N . 15717 1 758 . 1 1 109 109 GLN H H 1 7.873 0.01 . . . . . . 109 GLN H . 15717 1 759 . 1 1 109 109 GLN HA H 1 3.381 0.01 . . . . . . 109 GLN HA . 15717 1 760 . 1 1 109 109 GLN HG2 H 1 2.264 0.01 . . . . . . 109 GLN HG1 . 15717 1 761 . 1 1 109 109 GLN C C 13 175.190 0.1 . . . . . . 109 GLN C . 15717 1 762 . 1 1 109 109 GLN CA C 13 56.731 0.1 . . . . . . 109 GLN CA . 15717 1 763 . 1 1 109 109 GLN CB C 13 25.903 0.1 . . . . . . 109 GLN CB . 15717 1 764 . 1 1 109 109 GLN N N 15 115.320 0.1 . . . . . . 109 GLN N . 15717 1 765 . 1 1 110 110 SER H H 1 8.164 0.01 . . . . . . 110 SER H . 15717 1 766 . 1 1 110 110 SER HA H 1 4.97 0.01 . . . . . . 110 SER HA . 15717 1 767 . 1 1 110 110 SER HB2 H 1 3.51 0.01 . . . . . . 110 SER HB1 . 15717 1 768 . 1 1 110 110 SER HB3 H 1 3.60 0.01 . . . . . . 110 SER HB2 . 15717 1 769 . 1 1 110 110 SER C C 13 174.692 0.1 . . . . . . 110 SER C . 15717 1 770 . 1 1 110 110 SER CA C 13 56.908 0.1 . . . . . . 110 SER CA . 15717 1 771 . 1 1 110 110 SER CB C 13 66.513 0.1 . . . . . . 110 SER CB . 15717 1 772 . 1 1 110 110 SER N N 15 112.422 0.1 . . . . . . 110 SER N . 15717 1 773 . 1 1 111 111 ARG H H 1 9.133 0.01 . . . . . . 111 ARG H . 15717 1 774 . 1 1 111 111 ARG HA H 1 5.404 0.01 . . . . . . 111 ARG HA . 15717 1 775 . 1 1 111 111 ARG C C 13 175.423 0.1 . . . . . . 111 ARG C . 15717 1 776 . 1 1 111 111 ARG CA C 13 53.543 0.1 . . . . . . 111 ARG CA . 15717 1 777 . 1 1 111 111 ARG CB C 13 33.584 0.1 . . . . . . 111 ARG CB . 15717 1 778 . 1 1 111 111 ARG N N 15 126.065 0.1 . . . . . . 111 ARG N . 15717 1 779 . 1 1 112 112 SER H H 1 9.625 0.01 . . . . . . 112 SER H . 15717 1 780 . 1 1 112 112 SER HA H 1 5.83 0.01 . . . . . . 112 SER HA . 15717 1 781 . 1 1 112 112 SER HB2 H 1 3.94 0.01 . . . . . . 112 SER HB1 . 15717 1 782 . 1 1 112 112 SER HB3 H 1 3.81 0.01 . . . . . . 112 SER HB2 . 15717 1 783 . 1 1 112 112 SER C C 13 173.801 0.1 . . . . . . 112 SER C . 15717 1 784 . 1 1 112 112 SER CA C 13 57.026 0.1 . . . . . . 112 SER CA . 15717 1 785 . 1 1 112 112 SER CB C 13 65.479 0.1 . . . . . . 112 SER CB . 15717 1 786 . 1 1 112 112 SER N N 15 123.168 0.1 . . . . . . 112 SER N . 15717 1 787 . 1 1 113 113 ILE H H 1 8.596 0.01 . . . . . . 113 ILE H . 15717 1 788 . 1 1 113 113 ILE HA H 1 5.81 0.01 . . . . . . 113 ILE HA . 15717 1 789 . 1 1 113 113 ILE HB H 1 1.65 0.01 . . . . . . 113 ILE HB . 15717 1 790 . 1 1 113 113 ILE HD11 H 1 0.67 0.01 . . . . . . 113 ILE HD1 . 15717 1 791 . 1 1 113 113 ILE HD12 H 1 0.67 0.01 . . . . . . 113 ILE HD1 . 15717 1 792 . 1 1 113 113 ILE HD13 H 1 0.67 0.01 . . . . . . 113 ILE HD1 . 15717 1 793 . 1 1 113 113 ILE HG12 H 1 1.47 0.01 . . . . . . 113 ILE HG11 . 15717 1 794 . 1 1 113 113 ILE HG13 H 1 1.22 0.01 . . . . . . 113 ILE HG12 . 15717 1 795 . 1 1 113 113 ILE HG21 H 1 0.82 0.01 . . . . . . 113 ILE HG2 . 15717 1 796 . 1 1 113 113 ILE HG22 H 1 0.82 0.01 . . . . . . 113 ILE HG2 . 15717 1 797 . 1 1 113 113 ILE HG23 H 1 0.82 0.01 . . . . . . 113 ILE HG2 . 15717 1 798 . 1 1 113 113 ILE C C 13 174.613 0.1 . . . . . . 113 ILE C . 15717 1 799 . 1 1 113 113 ILE CA C 13 58.725 0.1 . . . . . . 113 ILE CA . 15717 1 800 . 1 1 113 113 ILE CB C 13 43.070 0.1 . . . . . . 113 ILE CB . 15717 1 801 . 1 1 113 113 ILE CD1 C 13 14.84 0.1 . . . . . . 113 ILE CD1 . 15717 1 802 . 1 1 113 113 ILE CG1 C 13 33.6 0.1 . . . . . . 113 ILE CG1 . 15717 1 803 . 1 1 113 113 ILE CG2 C 13 18.753 0.1 . . . . . . 113 ILE CG2 . 15717 1 804 . 1 1 113 113 ILE N N 15 117.091 0.1 . . . . . . 113 ILE N . 15717 1 805 . 1 1 114 114 SER H H 1 7.889 0.01 . . . . . . 114 SER H . 15717 1 806 . 1 1 114 114 SER HA H 1 4.019 0.01 . . . . . . 114 SER HA . 15717 1 807 . 1 1 114 114 SER C C 13 173.234 0.1 . . . . . . 114 SER C . 15717 1 808 . 1 1 114 114 SER CA C 13 57.378 0.1 . . . . . . 114 SER CA . 15717 1 809 . 1 1 114 114 SER CB C 13 65.585 0.1 . . . . . . 114 SER CB . 15717 1 810 . 1 1 114 114 SER N N 15 110.222 0.1 . . . . . . 114 SER N . 15717 1 811 . 1 1 115 115 GLN H H 1 8.966 0.01 . . . . . . 115 GLN H . 15717 1 812 . 1 1 115 115 GLN CA C 13 54.067 0.1 . . . . . . 115 GLN CA . 15717 1 813 . 1 1 115 115 GLN CB C 13 30.620 0.1 . . . . . . 115 GLN CB . 15717 1 814 . 1 1 115 115 GLN N N 15 120.288 0.1 . . . . . . 115 GLN N . 15717 1 815 . 1 1 119 119 TRP C C 13 176.238 0.1 . . . . . . 119 TRP C . 15717 1 816 . 1 1 122 122 SER C C 13 179.005 0.1 . . . . . . 122 SER C . 15717 1 817 . 1 1 122 122 SER CA C 13 61.388 0.1 . . . . . . 122 SER CA . 15717 1 818 . 1 1 123 123 ALA H H 1 7.990 0.01 . . . . . . 123 ALA H . 15717 1 819 . 1 1 123 123 ALA HA H 1 4.261 0.01 . . . . . . 123 ALA HA . 15717 1 820 . 1 1 123 123 ALA HB1 H 1 1.326 0.01 . . . . . . 123 ALA HB . 15717 1 821 . 1 1 123 123 ALA HB2 H 1 1.326 0.01 . . . . . . 123 ALA HB . 15717 1 822 . 1 1 123 123 ALA HB3 H 1 1.326 0.01 . . . . . . 123 ALA HB . 15717 1 823 . 1 1 123 123 ALA C C 13 176.944 0.1 . . . . . . 123 ALA C . 15717 1 824 . 1 1 123 123 ALA CA C 13 54.816 0.1 . . . . . . 123 ALA CA . 15717 1 825 . 1 1 123 123 ALA CB C 13 18.955 0.1 . . . . . . 123 ALA CB . 15717 1 826 . 1 1 123 123 ALA N N 15 119.257 0.1 . . . . . . 123 ALA N . 15717 1 827 . 1 1 124 124 ARG H H 1 7.990 0.01 . . . . . . 124 ARG H . 15717 1 828 . 1 1 124 124 ARG HA H 1 4.278 0.01 . . . . . . 124 ARG HA . 15717 1 829 . 1 1 124 124 ARG HB2 H 1 1.565 0.01 . . . . . . 124 ARG HB1 . 15717 1 830 . 1 1 124 124 ARG HB3 H 1 1.734 0.01 . . . . . . 124 ARG HB2 . 15717 1 831 . 1 1 124 124 ARG HD2 H 1 2.920 0.01 . . . . . . 124 ARG HD1 . 15717 1 832 . 1 1 124 124 ARG HD3 H 1 2.86 0.01 . . . . . . 124 ARG HD2 . 15717 1 833 . 1 1 124 124 ARG HG2 H 1 1.471 0.01 . . . . . . 124 ARG HG1 . 15717 1 834 . 1 1 124 124 ARG C C 13 176.296 0.1 . . . . . . 124 ARG C . 15717 1 835 . 1 1 124 124 ARG CA C 13 55.812 0.1 . . . . . . 124 ARG CA . 15717 1 836 . 1 1 124 124 ARG CB C 13 31.270 0.1 . . . . . . 124 ARG CB . 15717 1 837 . 1 1 124 124 ARG CD C 13 43.2 0.1 . . . . . . 124 ARG CD . 15717 1 838 . 1 1 124 124 ARG CG C 13 27.098 0.1 . . . . . . 124 ARG CG . 15717 1 839 . 1 1 124 124 ARG N N 15 120.101 0.1 . . . . . . 124 ARG N . 15717 1 840 . 1 1 125 125 VAL H H 1 7.948 0.01 . . . . . . 125 VAL H . 15717 1 841 . 1 1 125 125 VAL CA C 13 60.043 0.1 . . . . . . 125 VAL CA . 15717 1 842 . 1 1 125 125 VAL CB C 13 32.616 0.1 . . . . . . 125 VAL CB . 15717 1 843 . 1 1 125 125 VAL N N 15 121.410 0.1 . . . . . . 125 VAL N . 15717 1 844 . 1 1 129 129 GLU CA C 13 60.04 0.1 . . . . . . 129 GLU CA . 15717 1 845 . 1 1 129 129 GLU CB C 13 32.62 0.1 . . . . . . 129 GLU CB . 15717 1 846 . 1 1 130 130 PRO HA H 1 4.440 0.01 . . . . . . 130 PRO HA . 15717 1 847 . 1 1 130 130 PRO C C 13 177.063 0.1 . . . . . . 130 PRO C . 15717 1 848 . 1 1 130 130 PRO CA C 13 62.417 0.1 . . . . . . 130 PRO CA . 15717 1 849 . 1 1 130 130 PRO CB C 13 32.278 0.1 . . . . . . 130 PRO CB . 15717 1 850 . 1 1 130 130 PRO CG C 13 27.544 0.1 . . . . . . 130 PRO CG . 15717 1 851 . 1 1 131 131 LEU H H 1 8.542 0.01 . . . . . . 131 LEU H . 15717 1 852 . 1 1 131 131 LEU HA H 1 4.10 0.01 . . . . . . 131 LEU HA . 15717 1 853 . 1 1 131 131 LEU HB2 H 1 1.79 0.01 . . . . . . 131 LEU HB1 . 15717 1 854 . 1 1 131 131 LEU HD11 H 1 1.02 0.01 . . . . . . 131 LEU HD1 . 15717 1 855 . 1 1 131 131 LEU HD12 H 1 1.02 0.01 . . . . . . 131 LEU HD1 . 15717 1 856 . 1 1 131 131 LEU HD13 H 1 1.02 0.01 . . . . . . 131 LEU HD1 . 15717 1 857 . 1 1 131 131 LEU HD21 H 1 0.89 0.01 . . . . . . 131 LEU HD2 . 15717 1 858 . 1 1 131 131 LEU HD22 H 1 0.89 0.01 . . . . . . 131 LEU HD2 . 15717 1 859 . 1 1 131 131 LEU HD23 H 1 0.89 0.01 . . . . . . 131 LEU HD2 . 15717 1 860 . 1 1 131 131 LEU HG H 1 1.85 0.01 . . . . . . 131 LEU HG . 15717 1 861 . 1 1 131 131 LEU C C 13 177.152 0.1 . . . . . . 131 LEU C . 15717 1 862 . 1 1 131 131 LEU CA C 13 57.239 0.1 . . . . . . 131 LEU CA . 15717 1 863 . 1 1 131 131 LEU CB C 13 41.153 0.1 . . . . . . 131 LEU CB . 15717 1 864 . 1 1 131 131 LEU CD1 C 13 25.364 0.1 . . . . . . 131 LEU CD1 . 15717 1 865 . 1 1 131 131 LEU CD2 C 13 22.599 0.1 . . . . . . 131 LEU CD2 . 15717 1 866 . 1 1 131 131 LEU CG C 13 27.3 0.1 . . . . . . 131 LEU CG . 15717 1 867 . 1 1 131 131 LEU N N 15 121.804 0.1 . . . . . . 131 LEU N . 15717 1 868 . 1 1 132 132 GLN H H 1 7.574 0.01 . . . . . . 132 GLN H . 15717 1 869 . 1 1 132 132 GLN HA H 1 5.54 0.01 . . . . . . 132 GLN HA . 15717 1 870 . 1 1 132 132 GLN HB2 H 1 1.96 0.01 . . . . . . 132 GLN HB1 . 15717 1 871 . 1 1 132 132 GLN HE21 H 1 7.45 0.01 . . . . . . 132 GLN HE21 . 15717 1 872 . 1 1 132 132 GLN HE22 H 1 6.81 0.01 . . . . . . 132 GLN HE22 . 15717 1 873 . 1 1 132 132 GLN HG2 H 1 2.29 0.01 . . . . . . 132 GLN HG1 . 15717 1 874 . 1 1 132 132 GLN HG3 H 1 2.27 0.01 . . . . . . 132 GLN HG2 . 15717 1 875 . 1 1 132 132 GLN C C 13 174.589 0.1 . . . . . . 132 GLN C . 15717 1 876 . 1 1 132 132 GLN CA C 13 54.592 0.1 . . . . . . 132 GLN CA . 15717 1 877 . 1 1 132 132 GLN CB C 13 32.085 0.1 . . . . . . 132 GLN CB . 15717 1 878 . 1 1 132 132 GLN CG C 13 34.2 0.1 . . . . . . 132 GLN CG . 15717 1 879 . 1 1 132 132 GLN N N 15 115.305 0.1 . . . . . . 132 GLN N . 15717 1 880 . 1 1 132 132 GLN NE2 N 15 111.42 0.1 . . . . . . 132 GLN NE2 . 15717 1 881 . 1 1 133 133 ARG H H 1 8.460 0.01 . . . . . . 133 ARG H . 15717 1 882 . 1 1 133 133 ARG CA C 13 55.066 0.1 . . . . . . 133 ARG CA . 15717 1 883 . 1 1 133 133 ARG CB C 13 28.593 0.1 . . . . . . 133 ARG CB . 15717 1 884 . 1 1 133 133 ARG N N 15 119.661 0.1 . . . . . . 133 ARG N . 15717 1 885 . 1 1 134 134 PRO HA H 1 5.098 0.01 . . . . . . 134 PRO HA . 15717 1 886 . 1 1 134 134 PRO HB2 H 1 2.57 0.01 . . . . . . 134 PRO HB1 . 15717 1 887 . 1 1 134 134 PRO HB3 H 1 1.78 0.01 . . . . . . 134 PRO HB2 . 15717 1 888 . 1 1 134 134 PRO HD2 H 1 4.59 0.01 . . . . . . 134 PRO HD1 . 15717 1 889 . 1 1 134 134 PRO C C 13 177.271 0.1 . . . . . . 134 PRO C . 15717 1 890 . 1 1 134 134 PRO CA C 13 62.638 0.1 . . . . . . 134 PRO CA . 15717 1 891 . 1 1 134 134 PRO CB C 13 32.483 0.1 . . . . . . 134 PRO CB . 15717 1 892 . 1 1 134 134 PRO CD C 13 52.0 0.1 . . . . . . 134 PRO CD . 15717 1 893 . 1 1 134 134 PRO CG C 13 28.117 0.1 . . . . . . 134 PRO CG . 15717 1 894 . 1 1 135 135 VAL H H 1 7.658 0.01 . . . . . . 135 VAL H . 15717 1 895 . 1 1 135 135 VAL HA H 1 3.89 0.01 . . . . . . 135 VAL HA . 15717 1 896 . 1 1 135 135 VAL HB H 1 1.33 0.01 . . . . . . 135 VAL HB . 15717 1 897 . 1 1 135 135 VAL HG11 H 1 1.047 0.01 . . . . . . 135 VAL HG1 . 15717 1 898 . 1 1 135 135 VAL HG12 H 1 1.047 0.01 . . . . . . 135 VAL HG1 . 15717 1 899 . 1 1 135 135 VAL HG13 H 1 1.047 0.01 . . . . . . 135 VAL HG1 . 15717 1 900 . 1 1 135 135 VAL HG21 H 1 0.977 0.01 . . . . . . 135 VAL HG2 . 15717 1 901 . 1 1 135 135 VAL HG22 H 1 0.977 0.01 . . . . . . 135 VAL HG2 . 15717 1 902 . 1 1 135 135 VAL HG23 H 1 0.977 0.01 . . . . . . 135 VAL HG2 . 15717 1 903 . 1 1 135 135 VAL C C 13 174.227 0.1 . . . . . . 135 VAL C . 15717 1 904 . 1 1 135 135 VAL CA C 13 60.410 0.1 . . . . . . 135 VAL CA . 15717 1 905 . 1 1 135 135 VAL CB C 13 33.630 0.1 . . . . . . 135 VAL CB . 15717 1 906 . 1 1 135 135 VAL CG1 C 13 24.977 0.1 . . . . . . 135 VAL CG1 . 15717 1 907 . 1 1 135 135 VAL CG2 C 13 22.800 0.1 . . . . . . 135 VAL CG2 . 15717 1 908 . 1 1 135 135 VAL N N 15 124.938 0.1 . . . . . . 135 VAL N . 15717 1 909 . 1 1 136 136 ASP H H 1 9.338 0.01 . . . . . . 136 ASP H . 15717 1 910 . 1 1 136 136 ASP HA H 1 4.73 0.01 . . . . . . 136 ASP HA . 15717 1 911 . 1 1 136 136 ASP HB2 H 1 2.88 0.01 . . . . . . 136 ASP HB1 . 15717 1 912 . 1 1 136 136 ASP HB3 H 1 2.47 0.01 . . . . . . 136 ASP HB2 . 15717 1 913 . 1 1 136 136 ASP CA C 13 53.818 0.1 . . . . . . 136 ASP CA . 15717 1 914 . 1 1 136 136 ASP N N 15 128.979 0.1 . . . . . . 136 ASP N . 15717 1 915 . 1 1 137 137 PRO HA H 1 4.112 0.01 . . . . . . 137 PRO HA . 15717 1 916 . 1 1 137 137 PRO HB2 H 1 2.42 0.01 . . . . . . 137 PRO HB1 . 15717 1 917 . 1 1 137 137 PRO HB3 H 1 1.98 0.01 . . . . . . 137 PRO HB2 . 15717 1 918 . 1 1 137 137 PRO HD2 H 1 4.02 0.01 . . . . . . 137 PRO HD1 . 15717 1 919 . 1 1 137 137 PRO HD3 H 1 3.70 0.01 . . . . . . 137 PRO HD2 . 15717 1 920 . 1 1 137 137 PRO HG2 H 1 2.12 0.01 . . . . . . 137 PRO HG1 . 15717 1 921 . 1 1 137 137 PRO C C 13 178.188 0.1 . . . . . . 137 PRO C . 15717 1 922 . 1 1 137 137 PRO CA C 13 65.516 0.1 . . . . . . 137 PRO CA . 15717 1 923 . 1 1 137 137 PRO CB C 13 32.612 0.1 . . . . . . 137 PRO CB . 15717 1 924 . 1 1 137 137 PRO CD C 13 51.6 0.1 . . . . . . 137 PRO CD . 15717 1 925 . 1 1 137 137 PRO CG C 13 27.542 0.1 . . . . . . 137 PRO CG . 15717 1 926 . 1 1 138 138 CYC H H 1 9.261 0.01 . . . . . . 138 CYS H . 15717 1 927 . 1 1 138 138 CYC HA H 1 4.18 0.01 . . . . . . 138 CYS HA . 15717 1 928 . 1 1 138 138 CYC HB2 H 1 3.397 0.01 . . . . . . 138 CYS HB1 . 15717 1 929 . 1 1 138 138 CYC HB3 H 1 2.84 0.01 . . . . . . 138 CYS HB2 . 15717 1 930 . 1 1 138 138 CYC C C 13 177.356 0.1 . . . . . . 138 CYS C . 15717 1 931 . 1 1 138 138 CYC CA C 13 58.566 0.1 . . . . . . 138 CYS CA . 15717 1 932 . 1 1 138 138 CYC CB C 13 35.352 0.1 . . . . . . 138 CYS CB . 15717 1 933 . 1 1 138 138 CYC N N 15 117.937 0.1 . . . . . . 138 CYS N . 15717 1 934 . 1 1 139 139 HIS H H 1 7.373 0.01 . . . . . . 139 HIS H . 15717 1 935 . 1 1 139 139 HIS HA H 1 4.588 0.01 . . . . . . 139 HIS HA . 15717 1 936 . 1 1 139 139 HIS HB2 H 1 2.72 0.01 . . . . . . 139 HIS HB1 . 15717 1 937 . 1 1 139 139 HIS HB3 H 1 1.66 0.01 . . . . . . 139 HIS HB2 . 15717 1 938 . 1 1 139 139 HIS HD2 H 1 6.59 0.01 . . . . . . 139 HIS HD2 . 15717 1 939 . 1 1 139 139 HIS C C 13 176.287 0.1 . . . . . . 139 HIS C . 15717 1 940 . 1 1 139 139 HIS CA C 13 57.093 0.1 . . . . . . 139 HIS CA . 15717 1 941 . 1 1 139 139 HIS CB C 13 32.5 0.1 . . . . . . 139 HIS CB . 15717 1 942 . 1 1 139 139 HIS CD2 C 13 119.0 0.1 . . . . . . 139 HIS CD2 . 15717 1 943 . 1 1 139 139 HIS N N 15 117.702 0.1 . . . . . . 139 HIS N . 15717 1 944 . 1 1 140 140 VAL H H 1 7.414 0.01 . . . . . . 140 VAL H . 15717 1 945 . 1 1 140 140 VAL HA H 1 3.140 0.01 . . . . . . 140 VAL HA . 15717 1 946 . 1 1 140 140 VAL HG11 H 1 0.804 0.01 . . . . . . 140 VAL HG1 . 15717 1 947 . 1 1 140 140 VAL HG12 H 1 0.804 0.01 . . . . . . 140 VAL HG1 . 15717 1 948 . 1 1 140 140 VAL HG13 H 1 0.804 0.01 . . . . . . 140 VAL HG1 . 15717 1 949 . 1 1 140 140 VAL C C 13 176.965 0.1 . . . . . . 140 VAL C . 15717 1 950 . 1 1 140 140 VAL CA C 13 67.554 0.1 . . . . . . 140 VAL CA . 15717 1 951 . 1 1 140 140 VAL CB C 13 31.653 0.1 . . . . . . 140 VAL CB . 15717 1 952 . 1 1 140 140 VAL CG1 C 13 21.248 0.1 . . . . . . 140 VAL CG1 . 15717 1 953 . 1 1 140 140 VAL N N 15 118.374 0.1 . . . . . . 140 VAL N . 15717 1 954 . 1 1 141 141 HIS H H 1 7.791 0.01 . . . . . . 141 HIS H . 15717 1 955 . 1 1 141 141 HIS HB2 H 1 3.125 0.01 . . . . . . 141 HIS HB1 . 15717 1 956 . 1 1 141 141 HIS HD2 H 1 7.00 0.01 . . . . . . 141 HIS HD2 . 15717 1 957 . 1 1 141 141 HIS HE1 H 1 6.97 0.01 . . . . . . 141 HIS HE1 . 15717 1 958 . 1 1 141 141 HIS C C 13 177.711 0.1 . . . . . . 141 HIS C . 15717 1 959 . 1 1 141 141 HIS CA C 13 60.097 0.1 . . . . . . 141 HIS CA . 15717 1 960 . 1 1 141 141 HIS CB C 13 30.256 0.1 . . . . . . 141 HIS CB . 15717 1 961 . 1 1 141 141 HIS N N 15 117.380 0.1 . . . . . . 141 HIS N . 15717 1 962 . 1 1 142 142 TYR H H 1 8.120 0.01 . . . . . . 142 TYR H . 15717 1 963 . 1 1 142 142 TYR HA H 1 3.936 0.01 . . . . . . 142 TYR HA . 15717 1 964 . 1 1 142 142 TYR HB2 H 1 3.31 0.01 . . . . . . 142 TYR HB1 . 15717 1 965 . 1 1 142 142 TYR HB3 H 1 3.16 0.01 . . . . . . 142 TYR HB2 . 15717 1 966 . 1 1 142 142 TYR HD1 H 1 6.82 0.01 . . . . . . 142 TYR HD1 . 15717 1 967 . 1 1 142 142 TYR HE1 H 1 6.53 0.01 . . . . . . 142 TYR HE1 . 15717 1 968 . 1 1 142 142 TYR C C 13 178.204 0.1 . . . . . . 142 TYR C . 15717 1 969 . 1 1 142 142 TYR CA C 13 61.511 0.1 . . . . . . 142 TYR CA . 15717 1 970 . 1 1 142 142 TYR CB C 13 39.487 0.1 . . . . . . 142 TYR CB . 15717 1 971 . 1 1 142 142 TYR CD1 C 13 133.6 0.1 . . . . . . 142 TYR CD1 . 15717 1 972 . 1 1 142 142 TYR CE1 C 13 119.7 0.1 . . . . . . 142 TYR CE1 . 15717 1 973 . 1 1 142 142 TYR N N 15 122.628 0.1 . . . . . . 142 TYR N . 15717 1 974 . 1 1 143 143 LEU H H 1 7.771 0.01 . . . . . . 143 LEU H . 15717 1 975 . 1 1 143 143 LEU HA H 1 3.735 0.01 . . . . . . 143 LEU HA . 15717 1 976 . 1 1 143 143 LEU HB2 H 1 1.46 0.01 . . . . . . 143 LEU HB1 . 15717 1 977 . 1 1 143 143 LEU HB3 H 1 0.84 0.01 . . . . . . 143 LEU HB2 . 15717 1 978 . 1 1 143 143 LEU HD11 H 1 0.23 0.01 . . . . . . 143 LEU HD1 . 15717 1 979 . 1 1 143 143 LEU HD12 H 1 0.23 0.01 . . . . . . 143 LEU HD1 . 15717 1 980 . 1 1 143 143 LEU HD13 H 1 0.23 0.01 . . . . . . 143 LEU HD1 . 15717 1 981 . 1 1 143 143 LEU HD21 H 1 0.43 0.01 . . . . . . 143 LEU HD2 . 15717 1 982 . 1 1 143 143 LEU HD22 H 1 0.43 0.01 . . . . . . 143 LEU HD2 . 15717 1 983 . 1 1 143 143 LEU HD23 H 1 0.43 0.01 . . . . . . 143 LEU HD2 . 15717 1 984 . 1 1 143 143 LEU HG H 1 1.12 0.01 . . . . . . 143 LEU HG . 15717 1 985 . 1 1 143 143 LEU C C 13 179.636 0.1 . . . . . . 143 LEU C . 15717 1 986 . 1 1 143 143 LEU CA C 13 57.304 0.1 . . . . . . 143 LEU CA . 15717 1 987 . 1 1 143 143 LEU CB C 13 41.634 0.1 . . . . . . 143 LEU CB . 15717 1 988 . 1 1 143 143 LEU CD1 C 13 26.1 0.1 . . . . . . 143 LEU CD1 . 15717 1 989 . 1 1 143 143 LEU CD2 C 13 20.8 0.1 . . . . . . 143 LEU CD2 . 15717 1 990 . 1 1 143 143 LEU CG C 13 26.8 0.1 . . . . . . 143 LEU CG . 15717 1 991 . 1 1 143 143 LEU N N 15 118.050 0.1 . . . . . . 143 LEU N . 15717 1 992 . 1 1 144 144 LYS H H 1 8.665 0.01 . . . . . . 144 LYS H . 15717 1 993 . 1 1 144 144 LYS HA H 1 3.903 0.01 . . . . . . 144 LYS HA . 15717 1 994 . 1 1 144 144 LYS HB2 H 1 1.718 0.01 . . . . . . 144 LYS HB1 . 15717 1 995 . 1 1 144 144 LYS HD2 H 1 1.523 0.01 . . . . . . 144 LYS HD1 . 15717 1 996 . 1 1 144 144 LYS HE2 H 1 2.795 0.01 . . . . . . 144 LYS HE1 . 15717 1 997 . 1 1 144 144 LYS HG2 H 1 1.283 0.01 . . . . . . 144 LYS HG1 . 15717 1 998 . 1 1 144 144 LYS HG3 H 1 1.43 0.01 . . . . . . 144 LYS HG2 . 15717 1 999 . 1 1 144 144 LYS C C 13 181.884 0.1 . . . . . . 144 LYS C . 15717 1 1000 . 1 1 144 144 LYS CA C 13 60.195 0.1 . . . . . . 144 LYS CA . 15717 1 1001 . 1 1 144 144 LYS CB C 13 32.310 0.1 . . . . . . 144 LYS CB . 15717 1 1002 . 1 1 144 144 LYS CD C 13 29.372 0.1 . . . . . . 144 LYS CD . 15717 1 1003 . 1 1 144 144 LYS CG C 13 25.534 0.1 . . . . . . 144 LYS CG . 15717 1 1004 . 1 1 144 144 LYS N N 15 121.247 0.1 . . . . . . 144 LYS N . 15717 1 1005 . 1 1 145 145 SER H H 1 8.447 0.01 . . . . . . 145 SER H . 15717 1 1006 . 1 1 145 145 SER HA H 1 4.070 0.01 . . . . . . 145 SER HA . 15717 1 1007 . 1 1 145 145 SER HB2 H 1 3.80 0.01 . . . . . . 145 SER HB1 . 15717 1 1008 . 1 1 145 145 SER HB3 H 1 3.68 0.01 . . . . . . 145 SER HB2 . 15717 1 1009 . 1 1 145 145 SER C C 13 174.977 0.1 . . . . . . 145 SER C . 15717 1 1010 . 1 1 145 145 SER CA C 13 61.6 0.1 . . . . . . 145 SER CA . 15717 1 1011 . 1 1 145 145 SER CB C 13 62.6 0.1 . . . . . . 145 SER CB . 15717 1 1012 . 1 1 145 145 SER N N 15 116.491 0.1 . . . . . . 145 SER N . 15717 1 1013 . 1 1 146 146 MET H H 1 7.037 0.01 . . . . . . 146 MET H . 15717 1 1014 . 1 1 146 146 MET HA H 1 4.20 0.01 . . . . . . 146 MET HA . 15717 1 1015 . 1 1 146 146 MET HB2 H 1 1.98 0.01 . . . . . . 146 MET HB1 . 15717 1 1016 . 1 1 146 146 MET HG2 H 1 2.41 0.01 . . . . . . 146 MET HG1 . 15717 1 1017 . 1 1 146 146 MET HG3 H 1 2.242 0.01 . . . . . . 146 MET HG2 . 15717 1 1018 . 1 1 146 146 MET C C 13 176.478 0.1 . . . . . . 146 MET C . 15717 1 1019 . 1 1 146 146 MET CA C 13 56.637 0.1 . . . . . . 146 MET CA . 15717 1 1020 . 1 1 146 146 MET CB C 13 34.907 0.1 . . . . . . 146 MET CB . 15717 1 1021 . 1 1 146 146 MET CG C 13 32.860 0.1 . . . . . . 146 MET CG . 15717 1 1022 . 1 1 146 146 MET N N 15 118.550 0.1 . . . . . . 146 MET N . 15717 1 1023 . 1 1 147 147 GLY H H 1 7.979 0.01 . . . . . . 147 GLY H . 15717 1 1024 . 1 1 147 147 GLY HA2 H 1 3.672 0.01 . . . . . . 147 GLY HA1 . 15717 1 1025 . 1 1 147 147 GLY HA3 H 1 4.008 0.01 . . . . . . 147 GLY HA2 . 15717 1 1026 . 1 1 147 147 GLY C C 13 173.482 0.1 . . . . . . 147 GLY C . 15717 1 1027 . 1 1 147 147 GLY CA C 13 45.328 0.1 . . . . . . 147 GLY CA . 15717 1 1028 . 1 1 147 147 GLY N N 15 108.910 0.1 . . . . . . 147 GLY N . 15717 1 1029 . 1 1 148 148 VAL H H 1 7.436 0.01 . . . . . . 148 VAL H . 15717 1 1030 . 1 1 148 148 VAL HA H 1 3.38 0.01 . . . . . . 148 VAL HA . 15717 1 1031 . 1 1 148 148 VAL HB H 1 1.52 0.01 . . . . . . 148 VAL HB . 15717 1 1032 . 1 1 148 148 VAL HG11 H 1 0.38 0.01 . . . . . . 148 VAL HG1 . 15717 1 1033 . 1 1 148 148 VAL HG12 H 1 0.38 0.01 . . . . . . 148 VAL HG1 . 15717 1 1034 . 1 1 148 148 VAL HG13 H 1 0.38 0.01 . . . . . . 148 VAL HG1 . 15717 1 1035 . 1 1 148 148 VAL C C 13 174.128 0.1 . . . . . . 148 VAL C . 15717 1 1036 . 1 1 148 148 VAL CA C 13 62.958 0.1 . . . . . . 148 VAL CA . 15717 1 1037 . 1 1 148 148 VAL CB C 13 32.926 0.1 . . . . . . 148 VAL CB . 15717 1 1038 . 1 1 148 148 VAL CG1 C 13 23.0 0.1 . . . . . . 148 VAL CG1 . 15717 1 1039 . 1 1 148 148 VAL N N 15 119.776 0.1 . . . . . . 148 VAL N . 15717 1 1040 . 1 1 149 149 ALA H H 1 8.560 0.01 . . . . . . 149 ALA H . 15717 1 1041 . 1 1 149 149 ALA HA H 1 4.47 0.01 . . . . . . 149 ALA HA . 15717 1 1042 . 1 1 149 149 ALA HB1 H 1 1.008 0.01 . . . . . . 149 ALA HB . 15717 1 1043 . 1 1 149 149 ALA HB2 H 1 1.008 0.01 . . . . . . 149 ALA HB . 15717 1 1044 . 1 1 149 149 ALA HB3 H 1 1.008 0.01 . . . . . . 149 ALA HB . 15717 1 1045 . 1 1 149 149 ALA C C 13 177.603 0.1 . . . . . . 149 ALA C . 15717 1 1046 . 1 1 149 149 ALA CA C 13 51.670 0.1 . . . . . . 149 ALA CA . 15717 1 1047 . 1 1 149 149 ALA CB C 13 20.424 0.1 . . . . . . 149 ALA CB . 15717 1 1048 . 1 1 149 149 ALA N N 15 126.401 0.1 . . . . . . 149 ALA N . 15717 1 1049 . 1 1 150 150 SER H H 1 7.770 0.01 . . . . . . 150 SER H . 15717 1 1050 . 1 1 150 150 SER HA H 1 5.29 0.01 . . . . . . 150 SER HA . 15717 1 1051 . 1 1 150 150 SER HB2 H 1 4.06 0.01 . . . . . . 150 SER HB1 . 15717 1 1052 . 1 1 150 150 SER HB3 H 1 3.77 0.01 . . . . . . 150 SER HB2 . 15717 1 1053 . 1 1 150 150 SER C C 13 173.163 0.1 . . . . . . 150 SER C . 15717 1 1054 . 1 1 150 150 SER CA C 13 56.097 0.1 . . . . . . 150 SER CA . 15717 1 1055 . 1 1 150 150 SER CB C 13 64.731 0.1 . . . . . . 150 SER CB . 15717 1 1056 . 1 1 150 150 SER N N 15 114.567 0.1 . . . . . . 150 SER N . 15717 1 1057 . 1 1 151 151 SER H H 1 8.658 0.01 . . . . . . 151 SER H . 15717 1 1058 . 1 1 151 151 SER HA H 1 5.68 0.01 . . . . . . 151 SER HA . 15717 1 1059 . 1 1 151 151 SER HB2 H 1 3.76 0.01 . . . . . . 151 SER HB1 . 15717 1 1060 . 1 1 151 151 SER HB3 H 1 3.28 0.01 . . . . . . 151 SER HB2 . 15717 1 1061 . 1 1 151 151 SER C C 13 171.263 0.1 . . . . . . 151 SER C . 15717 1 1062 . 1 1 151 151 SER CA C 13 56.3 0.1 . . . . . . 151 SER CA . 15717 1 1063 . 1 1 151 151 SER CB C 13 65.589 0.1 . . . . . . 151 SER CB . 15717 1 1064 . 1 1 151 151 SER N N 15 122.341 0.1 . . . . . . 151 SER N . 15717 1 1065 . 1 1 152 152 LEU H H 1 9.057 0.01 . . . . . . 152 LEU H . 15717 1 1066 . 1 1 152 152 LEU HA H 1 5.27 0.01 . . . . . . 152 LEU HA . 15717 1 1067 . 1 1 152 152 LEU HB2 H 1 1.53 0.01 . . . . . . 152 LEU HB1 . 15717 1 1068 . 1 1 152 152 LEU HB3 H 1 1.02 0.01 . . . . . . 152 LEU HB2 . 15717 1 1069 . 1 1 152 152 LEU HD11 H 1 0.30 0.01 . . . . . . 152 LEU HD1 . 15717 1 1070 . 1 1 152 152 LEU HD12 H 1 0.30 0.01 . . . . . . 152 LEU HD1 . 15717 1 1071 . 1 1 152 152 LEU HD13 H 1 0.30 0.01 . . . . . . 152 LEU HD1 . 15717 1 1072 . 1 1 152 152 LEU HD21 H 1 0.39 0.01 . . . . . . 152 LEU HD2 . 15717 1 1073 . 1 1 152 152 LEU HD22 H 1 0.39 0.01 . . . . . . 152 LEU HD2 . 15717 1 1074 . 1 1 152 152 LEU HD23 H 1 0.39 0.01 . . . . . . 152 LEU HD2 . 15717 1 1075 . 1 1 152 152 LEU HG H 1 1.14 0.01 . . . . . . 152 LEU HG . 15717 1 1076 . 1 1 152 152 LEU C C 13 174.384 0.1 . . . . . . 152 LEU C . 15717 1 1077 . 1 1 152 152 LEU CA C 13 54.042 0.1 . . . . . . 152 LEU CA . 15717 1 1078 . 1 1 152 152 LEU CB C 13 43.879 0.1 . . . . . . 152 LEU CB . 15717 1 1079 . 1 1 152 152 LEU CD1 C 13 25.1 0.1 . . . . . . 152 LEU CD1 . 15717 1 1080 . 1 1 152 152 LEU CD2 C 13 23.43 0.1 . . . . . . 152 LEU CD2 . 15717 1 1081 . 1 1 152 152 LEU CG C 13 28.0 0.1 . . . . . . 152 LEU CG . 15717 1 1082 . 1 1 152 152 LEU N N 15 131.142 0.1 . . . . . . 152 LEU N . 15717 1 1083 . 1 1 153 153 VAL H H 1 8.747 0.01 . . . . . . 153 VAL H . 15717 1 1084 . 1 1 153 153 VAL HA H 1 5.068 0.01 . . . . . . 153 VAL HA . 15717 1 1085 . 1 1 153 153 VAL HB H 1 2.06 0.01 . . . . . . 153 VAL HB . 15717 1 1086 . 1 1 153 153 VAL HG11 H 1 0.90 0.01 . . . . . . 153 VAL HG1 . 15717 1 1087 . 1 1 153 153 VAL HG12 H 1 0.90 0.01 . . . . . . 153 VAL HG1 . 15717 1 1088 . 1 1 153 153 VAL HG13 H 1 0.90 0.01 . . . . . . 153 VAL HG1 . 15717 1 1089 . 1 1 153 153 VAL HG21 H 1 1.30 0.01 . . . . . . 153 VAL HG2 . 15717 1 1090 . 1 1 153 153 VAL HG22 H 1 1.30 0.01 . . . . . . 153 VAL HG2 . 15717 1 1091 . 1 1 153 153 VAL HG23 H 1 1.30 0.01 . . . . . . 153 VAL HG2 . 15717 1 1092 . 1 1 153 153 VAL C C 13 173.936 0.1 . . . . . . 153 VAL C . 15717 1 1093 . 1 1 153 153 VAL CA C 13 61.036 0.1 . . . . . . 153 VAL CA . 15717 1 1094 . 1 1 153 153 VAL CB C 13 35.516 0.1 . . . . . . 153 VAL CB . 15717 1 1095 . 1 1 153 153 VAL CG1 C 13 26.184 0.1 . . . . . . 153 VAL CG1 . 15717 1 1096 . 1 1 153 153 VAL CG2 C 13 23.1 0.1 . . . . . . 153 VAL CG2 . 15717 1 1097 . 1 1 153 153 VAL N N 15 125.053 0.1 . . . . . . 153 VAL N . 15717 1 1098 . 1 1 154 154 VAL H H 1 8.985 0.01 . . . . . . 154 VAL H . 15717 1 1099 . 1 1 154 154 VAL HA H 1 4.74 0.01 . . . . . . 154 VAL HA . 15717 1 1100 . 1 1 154 154 VAL HB H 1 1.88 0.01 . . . . . . 154 VAL HB . 15717 1 1101 . 1 1 154 154 VAL HG11 H 1 0.93 0.01 . . . . . . 154 VAL HG1 . 15717 1 1102 . 1 1 154 154 VAL HG12 H 1 0.93 0.01 . . . . . . 154 VAL HG1 . 15717 1 1103 . 1 1 154 154 VAL HG13 H 1 0.93 0.01 . . . . . . 154 VAL HG1 . 15717 1 1104 . 1 1 154 154 VAL HG21 H 1 0.74 0.01 . . . . . . 154 VAL HG2 . 15717 1 1105 . 1 1 154 154 VAL HG22 H 1 0.74 0.01 . . . . . . 154 VAL HG2 . 15717 1 1106 . 1 1 154 154 VAL HG23 H 1 0.74 0.01 . . . . . . 154 VAL HG2 . 15717 1 1107 . 1 1 154 154 VAL CA C 13 58.294 0.1 . . . . . . 154 VAL CA . 15717 1 1108 . 1 1 154 154 VAL CB C 13 36.152 0.1 . . . . . . 154 VAL CB . 15717 1 1109 . 1 1 154 154 VAL CG1 C 13 20.0 0.1 . . . . . . 154 VAL CG1 . 15717 1 1110 . 1 1 154 154 VAL CG2 C 13 20.5 0.1 . . . . . . 154 VAL CG2 . 15717 1 1111 . 1 1 154 154 VAL N N 15 126.490 0.1 . . . . . . 154 VAL N . 15717 1 1112 . 1 1 155 155 PRO HA H 1 4.408 0.01 . . . . . . 155 PRO HA . 15717 1 1113 . 1 1 155 155 PRO HB2 H 1 1.863 0.01 . . . . . . 155 PRO HB1 . 15717 1 1114 . 1 1 155 155 PRO C C 13 173.808 0.1 . . . . . . 155 PRO C . 15717 1 1115 . 1 1 155 155 PRO CA C 13 63.223 0.1 . . . . . . 155 PRO CA . 15717 1 1116 . 1 1 155 155 PRO CB C 13 32.722 0.1 . . . . . . 155 PRO CB . 15717 1 1117 . 1 1 155 155 PRO CG C 13 27.230 0.1 . . . . . . 155 PRO CG . 15717 1 1118 . 1 1 156 156 LEU H H 1 8.324 0.01 . . . . . . 156 LEU H . 15717 1 1119 . 1 1 156 156 LEU HA H 1 4.676 0.01 . . . . . . 156 LEU HA . 15717 1 1120 . 1 1 156 156 LEU HD11 H 1 0.823 0.01 . . . . . . 156 LEU HD1 . 15717 1 1121 . 1 1 156 156 LEU HD12 H 1 0.823 0.01 . . . . . . 156 LEU HD1 . 15717 1 1122 . 1 1 156 156 LEU HD13 H 1 0.823 0.01 . . . . . . 156 LEU HD1 . 15717 1 1123 . 1 1 156 156 LEU C C 13 175.314 0.1 . . . . . . 156 LEU C . 15717 1 1124 . 1 1 156 156 LEU CA C 13 52.768 0.1 . . . . . . 156 LEU CA . 15717 1 1125 . 1 1 156 156 LEU CB C 13 43.432 0.1 . . . . . . 156 LEU CB . 15717 1 1126 . 1 1 156 156 LEU CD1 C 13 23.035 0.1 . . . . . . 156 LEU CD1 . 15717 1 1127 . 1 1 156 156 LEU N N 15 119.029 0.1 . . . . . . 156 LEU N . 15717 1 1128 . 1 1 157 157 MET H H 1 8.609 0.01 . . . . . . 157 MET H . 15717 1 1129 . 1 1 157 157 MET C C 13 175.711 0.1 . . . . . . 157 MET C . 15717 1 1130 . 1 1 157 157 MET CA C 13 52.590 0.1 . . . . . . 157 MET CA . 15717 1 1131 . 1 1 157 157 MET CB C 13 31.975 0.1 . . . . . . 157 MET CB . 15717 1 1132 . 1 1 157 157 MET N N 15 121.890 0.1 . . . . . . 157 MET N . 15717 1 1133 . 1 1 158 158 HIS H H 1 9.039 0.01 . . . . . . 158 HIS H . 15717 1 1134 . 1 1 158 158 HIS HD2 H 1 7.29 0.01 . . . . . . 158 HIS HD2 . 15717 1 1135 . 1 1 158 158 HIS HE1 H 1 7.28 0.01 . . . . . . 158 HIS HE1 . 15717 1 1136 . 1 1 158 158 HIS CA C 13 52.908 0.1 . . . . . . 158 HIS CA . 15717 1 1137 . 1 1 158 158 HIS CB C 13 31.930 0.1 . . . . . . 158 HIS CB . 15717 1 1138 . 1 1 158 158 HIS N N 15 119.531 0.1 . . . . . . 158 HIS N . 15717 1 1139 . 1 1 159 159 HIS C C 13 179.872 0.1 . . . . . . 159 HIS C . 15717 1 1140 . 1 1 160 160 GLN HA H 1 4.395 0.01 . . . . . . 160 GLN HA . 15717 1 1141 . 1 1 160 160 GLN HB2 H 1 2.330 0.01 . . . . . . 160 GLN HB1 . 15717 1 1142 . 1 1 160 160 GLN HE21 H 1 7.59 0.01 . . . . . . 160 GLN HE21 . 15717 1 1143 . 1 1 160 160 GLN HE22 H 1 6.88 0.01 . . . . . . 160 GLN HE22 . 15717 1 1144 . 1 1 160 160 GLN C C 13 175.439 0.1 . . . . . . 160 GLN C . 15717 1 1145 . 1 1 160 160 GLN CA C 13 56.540 0.1 . . . . . . 160 GLN CA . 15717 1 1146 . 1 1 160 160 GLN CB C 13 28.662 0.1 . . . . . . 160 GLN CB . 15717 1 1147 . 1 1 160 160 GLN CG C 13 34.840 0.1 . . . . . . 160 GLN CG . 15717 1 1148 . 1 1 160 160 GLN NE2 N 15 112.6 0.1 . . . . . . 160 GLN NE2 . 15717 1 1149 . 1 1 161 161 GLU H H 1 8.289 0.01 . . . . . . 161 GLU H . 15717 1 1150 . 1 1 161 161 GLU HA H 1 4.451 0.01 . . . . . . 161 GLU HA . 15717 1 1151 . 1 1 161 161 GLU HB2 H 1 2.115 0.01 . . . . . . 161 GLU HB1 . 15717 1 1152 . 1 1 161 161 GLU HG2 H 1 2.366 0.01 . . . . . . 161 GLU HG1 . 15717 1 1153 . 1 1 161 161 GLU HG3 H 1 2.285 0.01 . . . . . . 161 GLU HG2 . 15717 1 1154 . 1 1 161 161 GLU C C 13 175.329 0.1 . . . . . . 161 GLU C . 15717 1 1155 . 1 1 161 161 GLU CA C 13 54.708 0.1 . . . . . . 161 GLU CA . 15717 1 1156 . 1 1 161 161 GLU CB C 13 31.318 0.1 . . . . . . 161 GLU CB . 15717 1 1157 . 1 1 161 161 GLU CG C 13 36.123 0.1 . . . . . . 161 GLU CG . 15717 1 1158 . 1 1 161 161 GLU N N 15 119.617 0.1 . . . . . . 161 GLU N . 15717 1 1159 . 1 1 162 162 LEU H H 1 8.900 0.01 . . . . . . 162 LEU H . 15717 1 1160 . 1 1 162 162 LEU HA H 1 4.832 0.01 . . . . . . 162 LEU HA . 15717 1 1161 . 1 1 162 162 LEU C C 13 174.234 0.1 . . . . . . 162 LEU C . 15717 1 1162 . 1 1 162 162 LEU CA C 13 54.572 0.1 . . . . . . 162 LEU CA . 15717 1 1163 . 1 1 162 162 LEU CB C 13 42.786 0.1 . . . . . . 162 LEU CB . 15717 1 1164 . 1 1 162 162 LEU N N 15 124.672 0.1 . . . . . . 162 LEU N . 15717 1 1165 . 1 1 163 163 TRP H H 1 9.180 0.01 . . . . . . 163 TRP H . 15717 1 1166 . 1 1 163 163 TRP HA H 1 4.526 0.01 . . . . . . 163 TRP HA . 15717 1 1167 . 1 1 163 163 TRP HB2 H 1 3.121 0.01 . . . . . . 163 TRP HB1 . 15717 1 1168 . 1 1 163 163 TRP HD1 H 1 7.22 0.01 . . . . . . 163 TRP HD1 . 15717 1 1169 . 1 1 163 163 TRP HE1 H 1 10.37 0.01 . . . . . . 163 TRP HE1 . 15717 1 1170 . 1 1 163 163 TRP HE3 H 1 7.55 0.01 . . . . . . 163 TRP HE3 . 15717 1 1171 . 1 1 163 163 TRP HH2 H 1 7.09 0.01 . . . . . . 163 TRP HH2 . 15717 1 1172 . 1 1 163 163 TRP HZ2 H 1 7.43 0.01 . . . . . . 163 TRP HZ2 . 15717 1 1173 . 1 1 163 163 TRP HZ3 H 1 7.17 0.01 . . . . . . 163 TRP HZ3 . 15717 1 1174 . 1 1 163 163 TRP C C 13 177.781 0.1 . . . . . . 163 TRP C . 15717 1 1175 . 1 1 163 163 TRP CA C 13 60.172 0.1 . . . . . . 163 TRP CA . 15717 1 1176 . 1 1 163 163 TRP CB C 13 31.918 0.1 . . . . . . 163 TRP CB . 15717 1 1177 . 1 1 163 163 TRP CD1 C 13 127.09 0.1 . . . . . . 163 TRP CD1 . 15717 1 1178 . 1 1 163 163 TRP CE3 C 13 120.84 0.1 . . . . . . 163 TRP CE3 . 15717 1 1179 . 1 1 163 163 TRP CH2 C 13 121.95 0.1 . . . . . . 163 TRP CH2 . 15717 1 1180 . 1 1 163 163 TRP CZ2 C 13 114.59 0.1 . . . . . . 163 TRP CZ2 . 15717 1 1181 . 1 1 163 163 TRP CZ3 C 13 124.65 0.1 . . . . . . 163 TRP CZ3 . 15717 1 1182 . 1 1 163 163 TRP N N 15 132.733 0.1 . . . . . . 163 TRP N . 15717 1 1183 . 1 1 163 163 TRP NE1 N 15 131.38 0.1 . . . . . . 163 TRP NE1 . 15717 1 1184 . 1 1 164 164 GLY H H 1 8.698 0.01 . . . . . . 164 GLY H . 15717 1 1185 . 1 1 164 164 GLY HA2 H 1 4.40 0.01 . . . . . . 164 GLY HA1 . 15717 1 1186 . 1 1 164 164 GLY HA3 H 1 4.16 0.01 . . . . . . 164 GLY HA2 . 15717 1 1187 . 1 1 164 164 GLY C C 13 170.527 0.1 . . . . . . 164 GLY C . 15717 1 1188 . 1 1 164 164 GLY CA C 13 47.380 0.1 . . . . . . 164 GLY CA . 15717 1 1189 . 1 1 164 164 GLY N N 15 104.544 0.1 . . . . . . 164 GLY N . 15717 1 1190 . 1 1 165 165 LEU H H 1 9.584 0.01 . . . . . . 165 LEU H . 15717 1 1191 . 1 1 165 165 LEU HA H 1 4.891 0.01 . . . . . . 165 LEU HA . 15717 1 1192 . 1 1 165 165 LEU C C 13 174.098 0.1 . . . . . . 165 LEU C . 15717 1 1193 . 1 1 165 165 LEU CA C 13 53.431 0.1 . . . . . . 165 LEU CA . 15717 1 1194 . 1 1 165 165 LEU CB C 13 46.553 0.1 . . . . . . 165 LEU CB . 15717 1 1195 . 1 1 165 165 LEU CG C 13 26.241 0.1 . . . . . . 165 LEU CG . 15717 1 1196 . 1 1 165 165 LEU N N 15 117.358 0.1 . . . . . . 165 LEU N . 15717 1 1197 . 1 1 166 166 LEU H H 1 9.580 0.01 . . . . . . 166 LEU H . 15717 1 1198 . 1 1 166 166 LEU HA H 1 5.04 0.01 . . . . . . 166 LEU HA . 15717 1 1199 . 1 1 166 166 LEU HB2 H 1 1.89 0.01 . . . . . . 166 LEU HB1 . 15717 1 1200 . 1 1 166 166 LEU HB3 H 1 1.15 0.01 . . . . . . 166 LEU HB2 . 15717 1 1201 . 1 1 166 166 LEU HD11 H 1 0.68 0.01 . . . . . . 166 LEU HD1 . 15717 1 1202 . 1 1 166 166 LEU HD12 H 1 0.68 0.01 . . . . . . 166 LEU HD1 . 15717 1 1203 . 1 1 166 166 LEU HD13 H 1 0.68 0.01 . . . . . . 166 LEU HD1 . 15717 1 1204 . 1 1 166 166 LEU HD21 H 1 0.70 0.01 . . . . . . 166 LEU HD2 . 15717 1 1205 . 1 1 166 166 LEU HD22 H 1 0.70 0.01 . . . . . . 166 LEU HD2 . 15717 1 1206 . 1 1 166 166 LEU HD23 H 1 0.70 0.01 . . . . . . 166 LEU HD2 . 15717 1 1207 . 1 1 166 166 LEU HG H 1 1.36 0.01 . . . . . . 166 LEU HG . 15717 1 1208 . 1 1 166 166 LEU C C 13 172.103 0.1 . . . . . . 166 LEU C . 15717 1 1209 . 1 1 166 166 LEU CA C 13 54.073 0.1 . . . . . . 166 LEU CA . 15717 1 1210 . 1 1 166 166 LEU CB C 13 44.154 0.1 . . . . . . 166 LEU CB . 15717 1 1211 . 1 1 166 166 LEU CD1 C 13 25.9 0.1 . . . . . . 166 LEU CD1 . 15717 1 1212 . 1 1 166 166 LEU CD2 C 13 24.1 0.1 . . . . . . 166 LEU CD2 . 15717 1 1213 . 1 1 166 166 LEU CG C 13 27.8 0.1 . . . . . . 166 LEU CG . 15717 1 1214 . 1 1 166 166 LEU N N 15 126.488 0.1 . . . . . . 166 LEU N . 15717 1 1215 . 1 1 167 167 VAL H H 1 9.118 0.01 . . . . . . 167 VAL H . 15717 1 1216 . 1 1 167 167 VAL HA H 1 4.99 0.01 . . . . . . 167 VAL HA . 15717 1 1217 . 1 1 167 167 VAL HB H 1 1.56 0.01 . . . . . . 167 VAL HB . 15717 1 1218 . 1 1 167 167 VAL HG11 H 1 0.56 0.01 . . . . . . 167 VAL HG1 . 15717 1 1219 . 1 1 167 167 VAL HG12 H 1 0.56 0.01 . . . . . . 167 VAL HG1 . 15717 1 1220 . 1 1 167 167 VAL HG13 H 1 0.56 0.01 . . . . . . 167 VAL HG1 . 15717 1 1221 . 1 1 167 167 VAL HG21 H 1 0.48 0.01 . . . . . . 167 VAL HG2 . 15717 1 1222 . 1 1 167 167 VAL HG22 H 1 0.48 0.01 . . . . . . 167 VAL HG2 . 15717 1 1223 . 1 1 167 167 VAL HG23 H 1 0.48 0.01 . . . . . . 167 VAL HG2 . 15717 1 1224 . 1 1 167 167 VAL C C 13 175.183 0.1 . . . . . . 167 VAL C . 15717 1 1225 . 1 1 167 167 VAL CA C 13 60.885 0.1 . . . . . . 167 VAL CA . 15717 1 1226 . 1 1 167 167 VAL CB C 13 36.002 0.1 . . . . . . 167 VAL CB . 15717 1 1227 . 1 1 167 167 VAL CG1 C 13 20.1 0.1 . . . . . . 167 VAL CG1 . 15717 1 1228 . 1 1 167 167 VAL CG2 C 13 20.5 0.1 . . . . . . 167 VAL CG2 . 15717 1 1229 . 1 1 167 167 VAL N N 15 126.011 0.1 . . . . . . 167 VAL N . 15717 1 1230 . 1 1 168 168 SER H H 1 9.632 0.01 . . . . . . 168 SER H . 15717 1 1231 . 1 1 168 168 SER HA H 1 5.42 0.01 . . . . . . 168 SER HA . 15717 1 1232 . 1 1 168 168 SER HB2 H 1 3.98 0.01 . . . . . . 168 SER HB1 . 15717 1 1233 . 1 1 168 168 SER HB3 H 1 3.31 0.01 . . . . . . 168 SER HB2 . 15717 1 1234 . 1 1 168 168 SER C C 13 174.618 0.1 . . . . . . 168 SER C . 15717 1 1235 . 1 1 168 168 SER CA C 13 56.013 0.1 . . . . . . 168 SER CA . 15717 1 1236 . 1 1 168 168 SER CB C 13 64.2 0.1 . . . . . . 168 SER CB . 15717 1 1237 . 1 1 168 168 SER N N 15 120.154 0.1 . . . . . . 168 SER N . 15717 1 1238 . 1 1 169 169 HIS H H 1 10.172 0.01 . . . . . . 169 HIS H . 15717 1 1239 . 1 1 169 169 HIS HA H 1 5.95 0.01 . . . . . . 169 HIS HA . 15717 1 1240 . 1 1 169 169 HIS HB2 H 1 3.08 0.01 . . . . . . 169 HIS HB1 . 15717 1 1241 . 1 1 169 169 HIS HB3 H 1 3.00 0.01 . . . . . . 169 HIS HB2 . 15717 1 1242 . 1 1 169 169 HIS HD2 H 1 7.34 0.01 . . . . . . 169 HIS HD2 . 15717 1 1243 . 1 1 169 169 HIS HE1 H 1 7.28 0.01 . . . . . . 169 HIS HE1 . 15717 1 1244 . 1 1 169 169 HIS HE2 H 1 10.07 0.01 . . . . . . 169 HIS HE2 . 15717 1 1245 . 1 1 169 169 HIS C C 13 173.171 0.1 . . . . . . 169 HIS C . 15717 1 1246 . 1 1 169 169 HIS CA C 13 52.529 0.1 . . . . . . 169 HIS CA . 15717 1 1247 . 1 1 169 169 HIS CB C 13 38.030 0.1 . . . . . . 169 HIS CB . 15717 1 1248 . 1 1 169 169 HIS CD2 C 13 131.19 0.1 . . . . . . 169 HIS CD2 . 15717 1 1249 . 1 1 169 169 HIS N N 15 131.426 0.1 . . . . . . 169 HIS N . 15717 1 1250 . 1 1 170 170 HIS H H 1 8.766 0.01 . . . . . . 170 HIS H . 15717 1 1251 . 1 1 170 170 HIS HA H 1 5.56 0.01 . . . . . . 170 HIS HA . 15717 1 1252 . 1 1 170 170 HIS HB2 H 1 3.61 0.01 . . . . . . 170 HIS HB1 . 15717 1 1253 . 1 1 170 170 HIS HB3 H 1 2.95 0.01 . . . . . . 170 HIS HB2 . 15717 1 1254 . 1 1 170 170 HIS C C 13 176.203 0.1 . . . . . . 170 HIS C . 15717 1 1255 . 1 1 170 170 HIS CA C 13 55.470 0.1 . . . . . . 170 HIS CA . 15717 1 1256 . 1 1 170 170 HIS CB C 13 36.954 0.1 . . . . . . 170 HIS CB . 15717 1 1257 . 1 1 170 170 HIS N N 15 119.877 0.1 . . . . . . 170 HIS N . 15717 1 1258 . 1 1 171 171 ALA H H 1 9.619 0.01 . . . . . . 171 ALA H . 15717 1 1259 . 1 1 171 171 ALA HA H 1 4.53 0.01 . . . . . . 171 ALA HA . 15717 1 1260 . 1 1 171 171 ALA HB1 H 1 1.317 0.01 . . . . . . 171 ALA HB . 15717 1 1261 . 1 1 171 171 ALA HB2 H 1 1.317 0.01 . . . . . . 171 ALA HB . 15717 1 1262 . 1 1 171 171 ALA HB3 H 1 1.317 0.01 . . . . . . 171 ALA HB . 15717 1 1263 . 1 1 171 171 ALA C C 13 174.639 0.1 . . . . . . 171 ALA C . 15717 1 1264 . 1 1 171 171 ALA CA C 13 53.693 0.1 . . . . . . 171 ALA CA . 15717 1 1265 . 1 1 171 171 ALA CB C 13 19.394 0.1 . . . . . . 171 ALA CB . 15717 1 1266 . 1 1 171 171 ALA N N 15 129.645 0.1 . . . . . . 171 ALA N . 15717 1 1267 . 1 1 172 172 GLU H H 1 6.937 0.01 . . . . . . 172 GLU H . 15717 1 1268 . 1 1 172 172 GLU CA C 13 53.230 0.1 . . . . . . 172 GLU CA . 15717 1 1269 . 1 1 172 172 GLU CB C 13 31.705 0.1 . . . . . . 172 GLU CB . 15717 1 1270 . 1 1 172 172 GLU N N 15 115.955 0.1 . . . . . . 172 GLU N . 15717 1 1271 . 1 1 175 175 PRO C C 13 176.114 0.1 . . . . . . 175 PRO C . 15717 1 1272 . 1 1 175 175 PRO CA C 13 62.117 0.1 . . . . . . 175 PRO CA . 15717 1 1273 . 1 1 175 175 PRO CB C 13 32.280 0.1 . . . . . . 175 PRO CB . 15717 1 1274 . 1 1 176 176 TYR H H 1 8.748 0.01 . . . . . . 176 TYR H . 15717 1 1275 . 1 1 176 176 TYR HA H 1 4.694 0.01 . . . . . . 176 TYR HA . 15717 1 1276 . 1 1 176 176 TYR HB2 H 1 2.72 0.01 . . . . . . 176 TYR HB1 . 15717 1 1277 . 1 1 176 176 TYR HB3 H 1 2.65 0.01 . . . . . . 176 TYR HB2 . 15717 1 1278 . 1 1 176 176 TYR HD1 H 1 6.94 0.01 . . . . . . 176 TYR HD1 . 15717 1 1279 . 1 1 176 176 TYR HE1 H 1 6.52 0.01 . . . . . . 176 TYR HE1 . 15717 1 1280 . 1 1 176 176 TYR C C 13 175.825 0.1 . . . . . . 176 TYR C . 15717 1 1281 . 1 1 176 176 TYR CA C 13 57.572 0.1 . . . . . . 176 TYR CA . 15717 1 1282 . 1 1 176 176 TYR CB C 13 41.27 0.1 . . . . . . 176 TYR CB . 15717 1 1283 . 1 1 176 176 TYR CD1 C 13 133.2 0.1 . . . . . . 176 TYR CD1 . 15717 1 1284 . 1 1 176 176 TYR CE1 C 13 118.0 0.1 . . . . . . 176 TYR CE1 . 15717 1 1285 . 1 1 176 176 TYR N N 15 118.810 0.1 . . . . . . 176 TYR N . 15717 1 1286 . 1 1 177 177 SER H H 1 9.176 0.01 . . . . . . 177 SER H . 15717 1 1287 . 1 1 177 177 SER CA C 13 56.158 0.1 . . . . . . 177 SER CA . 15717 1 1288 . 1 1 177 177 SER CB C 13 65.972 0.1 . . . . . . 177 SER CB . 15717 1 1289 . 1 1 177 177 SER N N 15 120.202 0.1 . . . . . . 177 SER N . 15717 1 1290 . 1 1 178 178 GLN C C 13 178.823 0.1 . . . . . . 178 GLN C . 15717 1 1291 . 1 1 178 178 GLN CA C 13 60.029 0.1 . . . . . . 178 GLN CA . 15717 1 1292 . 1 1 178 178 GLN CB C 13 29.416 0.1 . . . . . . 178 GLN CB . 15717 1 1293 . 1 1 179 179 GLU H H 1 8.003 0.01 . . . . . . 179 GLU H . 15717 1 1294 . 1 1 179 179 GLU CA C 13 59.878 0.1 . . . . . . 179 GLU CA . 15717 1 1295 . 1 1 179 179 GLU CB C 13 30.192 0.1 . . . . . . 179 GLU CB . 15717 1 1296 . 1 1 179 179 GLU N N 15 118.920 0.1 . . . . . . 179 GLU N . 15717 1 1297 . 1 1 182 182 GLN C C 13 180.324 0.1 . . . . . . 182 GLN C . 15717 1 1298 . 1 1 182 182 GLN CA C 13 58.966 0.1 . . . . . . 182 GLN CA . 15717 1 1299 . 1 1 182 182 GLN CB C 13 29.309 0.1 . . . . . . 182 GLN CB . 15717 1 1300 . 1 1 183 183 VAL H H 1 8.837 0.01 . . . . . . 183 VAL H . 15717 1 1301 . 1 1 183 183 VAL HA H 1 3.544 0.01 . . . . . . 183 VAL HA . 15717 1 1302 . 1 1 183 183 VAL HG11 H 1 1.066 0.01 . . . . . . 183 VAL HG1 . 15717 1 1303 . 1 1 183 183 VAL HG12 H 1 1.066 0.01 . . . . . . 183 VAL HG1 . 15717 1 1304 . 1 1 183 183 VAL HG13 H 1 1.066 0.01 . . . . . . 183 VAL HG1 . 15717 1 1305 . 1 1 183 183 VAL C C 13 177.165 0.1 . . . . . . 183 VAL C . 15717 1 1306 . 1 1 183 183 VAL CA C 13 67.340 0.1 . . . . . . 183 VAL CA . 15717 1 1307 . 1 1 183 183 VAL CB C 13 31.625 0.1 . . . . . . 183 VAL CB . 15717 1 1308 . 1 1 183 183 VAL N N 15 119.232 0.1 . . . . . . 183 VAL N . 15717 1 1309 . 1 1 184 184 VAL H H 1 8.409 0.01 . . . . . . 184 VAL H . 15717 1 1310 . 1 1 184 184 VAL CA C 13 61.341 0.1 . . . . . . 184 VAL CA . 15717 1 1311 . 1 1 184 184 VAL CB C 13 28.751 0.1 . . . . . . 184 VAL CB . 15717 1 1312 . 1 1 184 184 VAL N N 15 120.147 0.1 . . . . . . 184 VAL N . 15717 1 1313 . 1 1 186 186 LEU HA H 1 4.191 0.01 . . . . . . 186 LEU HA . 15717 1 1314 . 1 1 186 186 LEU C C 13 180.853 0.1 . . . . . . 186 LEU C . 15717 1 1315 . 1 1 186 186 LEU CA C 13 58.152 0.1 . . . . . . 186 LEU CA . 15717 1 1316 . 1 1 186 186 LEU CB C 13 41.715 0.1 . . . . . . 186 LEU CB . 15717 1 1317 . 1 1 186 186 LEU CD1 C 13 25.795 0.1 . . . . . . 186 LEU CD1 . 15717 1 1318 . 1 1 187 187 LEU H H 1 7.939 0.01 . . . . . . 187 LEU H . 15717 1 1319 . 1 1 187 187 LEU HA H 1 3.98 0.01 . . . . . . 187 LEU HA . 15717 1 1320 . 1 1 187 187 LEU HB2 H 1 1.83 0.01 . . . . . . 187 LEU HB1 . 15717 1 1321 . 1 1 187 187 LEU HB3 H 1 1.22 0.01 . . . . . . 187 LEU HB2 . 15717 1 1322 . 1 1 187 187 LEU HD11 H 1 0.65 0.01 . . . . . . 187 LEU HD1 . 15717 1 1323 . 1 1 187 187 LEU HD12 H 1 0.65 0.01 . . . . . . 187 LEU HD1 . 15717 1 1324 . 1 1 187 187 LEU HD13 H 1 0.65 0.01 . . . . . . 187 LEU HD1 . 15717 1 1325 . 1 1 187 187 LEU HD21 H 1 0.72 0.01 . . . . . . 187 LEU HD2 . 15717 1 1326 . 1 1 187 187 LEU HD22 H 1 0.72 0.01 . . . . . . 187 LEU HD2 . 15717 1 1327 . 1 1 187 187 LEU HD23 H 1 0.72 0.01 . . . . . . 187 LEU HD2 . 15717 1 1328 . 1 1 187 187 LEU HG H 1 1.71 0.01 . . . . . . 187 LEU HG . 15717 1 1329 . 1 1 187 187 LEU C C 13 178.745 0.1 . . . . . . 187 LEU C . 15717 1 1330 . 1 1 187 187 LEU CA C 13 58.116 0.1 . . . . . . 187 LEU CA . 15717 1 1331 . 1 1 187 187 LEU CB C 13 41.002 0.1 . . . . . . 187 LEU CB . 15717 1 1332 . 1 1 187 187 LEU CD1 C 13 25.3 0.1 . . . . . . 187 LEU CD1 . 15717 1 1333 . 1 1 187 187 LEU CD2 C 13 23.7 0.1 . . . . . . 187 LEU CD2 . 15717 1 1334 . 1 1 187 187 LEU CG C 13 27.0 0.1 . . . . . . 187 LEU CG . 15717 1 1335 . 1 1 187 187 LEU N N 15 119.902 0.1 . . . . . . 187 LEU N . 15717 1 1336 . 1 1 188 188 ALA H H 1 8.777 0.01 . . . . . . 188 ALA H . 15717 1 1337 . 1 1 188 188 ALA HA H 1 3.69 0.01 . . . . . . 188 ALA HA . 15717 1 1338 . 1 1 188 188 ALA HB1 H 1 1.40 0.01 . . . . . . 188 ALA HB . 15717 1 1339 . 1 1 188 188 ALA HB2 H 1 1.40 0.01 . . . . . . 188 ALA HB . 15717 1 1340 . 1 1 188 188 ALA HB3 H 1 1.40 0.01 . . . . . . 188 ALA HB . 15717 1 1341 . 1 1 188 188 ALA C C 13 179.733 0.1 . . . . . . 188 ALA C . 15717 1 1342 . 1 1 188 188 ALA CA C 13 55.766 0.1 . . . . . . 188 ALA CA . 15717 1 1343 . 1 1 188 188 ALA CB C 13 17.727 0.1 . . . . . . 188 ALA CB . 15717 1 1344 . 1 1 188 188 ALA N N 15 124.067 0.1 . . . . . . 188 ALA N . 15717 1 1345 . 1 1 189 189 ASP H H 1 8.889 0.01 . . . . . . 189 ASP H . 15717 1 1346 . 1 1 189 189 ASP HA H 1 4.32 0.01 . . . . . . 189 ASP HA . 15717 1 1347 . 1 1 189 189 ASP HB2 H 1 2.98 0.01 . . . . . . 189 ASP HB1 . 15717 1 1348 . 1 1 189 189 ASP HB3 H 1 2.66 0.01 . . . . . . 189 ASP HB2 . 15717 1 1349 . 1 1 189 189 ASP C C 13 179.743 0.1 . . . . . . 189 ASP C . 15717 1 1350 . 1 1 189 189 ASP CA C 13 57.377 0.1 . . . . . . 189 ASP CA . 15717 1 1351 . 1 1 189 189 ASP CB C 13 39.810 0.1 . . . . . . 189 ASP CB . 15717 1 1352 . 1 1 189 189 ASP N N 15 119.061 0.1 . . . . . . 189 ASP N . 15717 1 1353 . 1 1 190 190 GLN H H 1 7.576 0.01 . . . . . . 190 GLN H . 15717 1 1354 . 1 1 190 190 GLN C C 13 178.667 0.1 . . . . . . 190 GLN C . 15717 1 1355 . 1 1 190 190 GLN CA C 13 58.050 0.1 . . . . . . 190 GLN CA . 15717 1 1356 . 1 1 190 190 GLN CB C 13 27.939 0.1 . . . . . . 190 GLN CB . 15717 1 1357 . 1 1 190 190 GLN N N 15 118.340 0.1 . . . . . . 190 GLN N . 15717 1 1358 . 1 1 191 191 VAL H H 1 8.290 0.01 . . . . . . 191 VAL H . 15717 1 1359 . 1 1 191 191 VAL HA H 1 3.29 0.01 . . . . . . 191 VAL HA . 15717 1 1360 . 1 1 191 191 VAL HB H 1 2.18 0.01 . . . . . . 191 VAL HB . 15717 1 1361 . 1 1 191 191 VAL HG11 H 1 0.89 0.01 . . . . . . 191 VAL HG1 . 15717 1 1362 . 1 1 191 191 VAL HG12 H 1 0.89 0.01 . . . . . . 191 VAL HG1 . 15717 1 1363 . 1 1 191 191 VAL HG13 H 1 0.89 0.01 . . . . . . 191 VAL HG1 . 15717 1 1364 . 1 1 191 191 VAL HG21 H 1 0.61 0.01 . . . . . . 191 VAL HG2 . 15717 1 1365 . 1 1 191 191 VAL HG22 H 1 0.61 0.01 . . . . . . 191 VAL HG2 . 15717 1 1366 . 1 1 191 191 VAL HG23 H 1 0.61 0.01 . . . . . . 191 VAL HG2 . 15717 1 1367 . 1 1 191 191 VAL C C 13 177.167 0.1 . . . . . . 191 VAL C . 15717 1 1368 . 1 1 191 191 VAL CA C 13 67.008 0.1 . . . . . . 191 VAL CA . 15717 1 1369 . 1 1 191 191 VAL CB C 13 30.358 0.1 . . . . . . 191 VAL CB . 15717 1 1370 . 1 1 191 191 VAL CG1 C 13 24.6 0.1 . . . . . . 191 VAL CG1 . 15717 1 1371 . 1 1 191 191 VAL CG2 C 13 22.6 0.1 . . . . . . 191 VAL CG2 . 15717 1 1372 . 1 1 191 191 VAL N N 15 121.704 0.1 . . . . . . 191 VAL N . 15717 1 1373 . 1 1 192 192 SER H H 1 8.341 0.01 . . . . . . 192 SER H . 15717 1 1374 . 1 1 192 192 SER C C 13 177.103 0.1 . . . . . . 192 SER C . 15717 1 1375 . 1 1 192 192 SER CA C 13 62.670 0.1 . . . . . . 192 SER CA . 15717 1 1376 . 1 1 192 192 SER CB C 13 62.891 0.1 . . . . . . 192 SER CB . 15717 1 1377 . 1 1 192 192 SER N N 15 115.695 0.1 . . . . . . 192 SER N . 15717 1 1378 . 1 1 193 193 ILE H H 1 7.450 0.01 . . . . . . 193 ILE H . 15717 1 1379 . 1 1 193 193 ILE HA H 1 3.673 0.01 . . . . . . 193 ILE HA . 15717 1 1380 . 1 1 193 193 ILE HB H 1 1.95 0.01 . . . . . . 193 ILE HB . 15717 1 1381 . 1 1 193 193 ILE HD11 H 1 0.82 0.01 . . . . . . 193 ILE HD1 . 15717 1 1382 . 1 1 193 193 ILE HD12 H 1 0.82 0.01 . . . . . . 193 ILE HD1 . 15717 1 1383 . 1 1 193 193 ILE HD13 H 1 0.82 0.01 . . . . . . 193 ILE HD1 . 15717 1 1384 . 1 1 193 193 ILE HG12 H 1 1.73 0.01 . . . . . . 193 ILE HG11 . 15717 1 1385 . 1 1 193 193 ILE HG13 H 1 1.06 0.01 . . . . . . 193 ILE HG12 . 15717 1 1386 . 1 1 193 193 ILE HG21 H 1 0.85 0.01 . . . . . . 193 ILE HG2 . 15717 1 1387 . 1 1 193 193 ILE HG22 H 1 0.85 0.01 . . . . . . 193 ILE HG2 . 15717 1 1388 . 1 1 193 193 ILE HG23 H 1 0.85 0.01 . . . . . . 193 ILE HG2 . 15717 1 1389 . 1 1 193 193 ILE C C 13 178.014 0.1 . . . . . . 193 ILE C . 15717 1 1390 . 1 1 193 193 ILE CA C 13 65.094 0.1 . . . . . . 193 ILE CA . 15717 1 1391 . 1 1 193 193 ILE CB C 13 38.141 0.1 . . . . . . 193 ILE CB . 15717 1 1392 . 1 1 193 193 ILE CD1 C 13 13.17 0.1 . . . . . . 193 ILE CD1 . 15717 1 1393 . 1 1 193 193 ILE CG1 C 13 29.4 0.1 . . . . . . 193 ILE CG1 . 15717 1 1394 . 1 1 193 193 ILE CG2 C 13 17.207 0.1 . . . . . . 193 ILE CG2 . 15717 1 1395 . 1 1 193 193 ILE N N 15 122.736 0.1 . . . . . . 193 ILE N . 15717 1 1396 . 1 1 194 194 ALA H H 1 7.791 0.01 . . . . . . 194 ALA H . 15717 1 1397 . 1 1 194 194 ALA HA H 1 3.96 0.01 . . . . . . 194 ALA HA . 15717 1 1398 . 1 1 194 194 ALA HB1 H 1 1.41 0.01 . . . . . . 194 ALA HB . 15717 1 1399 . 1 1 194 194 ALA HB2 H 1 1.41 0.01 . . . . . . 194 ALA HB . 15717 1 1400 . 1 1 194 194 ALA HB3 H 1 1.41 0.01 . . . . . . 194 ALA HB . 15717 1 1401 . 1 1 194 194 ALA C C 13 180.381 0.1 . . . . . . 194 ALA C . 15717 1 1402 . 1 1 194 194 ALA CA C 13 55.044 0.1 . . . . . . 194 ALA CA . 15717 1 1403 . 1 1 194 194 ALA CB C 13 18.360 0.1 . . . . . . 194 ALA CB . 15717 1 1404 . 1 1 194 194 ALA N N 15 123.462 0.1 . . . . . . 194 ALA N . 15717 1 1405 . 1 1 195 195 ILE H H 1 8.636 0.01 . . . . . . 195 ILE H . 15717 1 1406 . 1 1 195 195 ILE HA H 1 3.07 0.01 . . . . . . 195 ILE HA . 15717 1 1407 . 1 1 195 195 ILE HB H 1 1.39 0.01 . . . . . . 195 ILE HB . 15717 1 1408 . 1 1 195 195 ILE HD11 H 1 -0.48 0.01 . . . . . . 195 ILE HD1 . 15717 1 1409 . 1 1 195 195 ILE HD12 H 1 -0.48 0.01 . . . . . . 195 ILE HD1 . 15717 1 1410 . 1 1 195 195 ILE HD13 H 1 -0.48 0.01 . . . . . . 195 ILE HD1 . 15717 1 1411 . 1 1 195 195 ILE HG12 H 1 1.15 0.01 . . . . . . 195 ILE HG11 . 15717 1 1412 . 1 1 195 195 ILE HG13 H 1 -0.48 0.01 . . . . . . 195 ILE HG12 . 15717 1 1413 . 1 1 195 195 ILE HG21 H 1 -0.28 0.01 . . . . . . 195 ILE HG2 . 15717 1 1414 . 1 1 195 195 ILE HG22 H 1 -0.28 0.01 . . . . . . 195 ILE HG2 . 15717 1 1415 . 1 1 195 195 ILE HG23 H 1 -0.28 0.01 . . . . . . 195 ILE HG2 . 15717 1 1416 . 1 1 195 195 ILE C C 13 177.629 0.1 . . . . . . 195 ILE C . 15717 1 1417 . 1 1 195 195 ILE CA C 13 65.53 0.1 . . . . . . 195 ILE CA . 15717 1 1418 . 1 1 195 195 ILE CB C 13 37.874 0.1 . . . . . . 195 ILE CB . 15717 1 1419 . 1 1 195 195 ILE CD1 C 13 13.7 0.1 . . . . . . 195 ILE CD1 . 15717 1 1420 . 1 1 195 195 ILE CG1 C 13 29.3 0.1 . . . . . . 195 ILE CG1 . 15717 1 1421 . 1 1 195 195 ILE CG2 C 13 15.9 0.1 . . . . . . 195 ILE CG2 . 15717 1 1422 . 1 1 195 195 ILE N N 15 120.302 0.1 . . . . . . 195 ILE N . 15717 1 1423 . 1 1 196 196 ALA H H 1 7.346 0.01 . . . . . . 196 ALA H . 15717 1 1424 . 1 1 196 196 ALA HA H 1 3.865 0.01 . . . . . . 196 ALA HA . 15717 1 1425 . 1 1 196 196 ALA HB1 H 1 1.42 0.01 . . . . . . 196 ALA HB . 15717 1 1426 . 1 1 196 196 ALA HB2 H 1 1.42 0.01 . . . . . . 196 ALA HB . 15717 1 1427 . 1 1 196 196 ALA HB3 H 1 1.42 0.01 . . . . . . 196 ALA HB . 15717 1 1428 . 1 1 196 196 ALA C C 13 180.451 0.1 . . . . . . 196 ALA C . 15717 1 1429 . 1 1 196 196 ALA CA C 13 54.611 0.1 . . . . . . 196 ALA CA . 15717 1 1430 . 1 1 196 196 ALA CB C 13 17.878 0.1 . . . . . . 196 ALA CB . 15717 1 1431 . 1 1 196 196 ALA N N 15 120.110 0.1 . . . . . . 196 ALA N . 15717 1 1432 . 1 1 197 197 GLN H H 1 8.098 0.01 . . . . . . 197 GLN H . 15717 1 1433 . 1 1 197 197 GLN HA H 1 4.082 0.01 . . . . . . 197 GLN HA . 15717 1 1434 . 1 1 197 197 GLN HB2 H 1 2.096 0.01 . . . . . . 197 GLN HB1 . 15717 1 1435 . 1 1 197 197 GLN HE21 H 1 6.92 0.01 . . . . . . 197 GLN HE21 . 15717 1 1436 . 1 1 197 197 GLN HE22 H 1 7.69 0.01 . . . . . . 197 GLN HE22 . 15717 1 1437 . 1 1 197 197 GLN HG2 H 1 2.443 0.01 . . . . . . 197 GLN HG1 . 15717 1 1438 . 1 1 197 197 GLN C C 13 178.018 0.1 . . . . . . 197 GLN C . 15717 1 1439 . 1 1 197 197 GLN CA C 13 57.945 0.1 . . . . . . 197 GLN CA . 15717 1 1440 . 1 1 197 197 GLN CB C 13 28.715 0.1 . . . . . . 197 GLN CB . 15717 1 1441 . 1 1 197 197 GLN CG C 13 34.147 0.1 . . . . . . 197 GLN CG . 15717 1 1442 . 1 1 197 197 GLN N N 15 116.894 0.1 . . . . . . 197 GLN N . 15717 1 1443 . 1 1 197 197 GLN NE2 N 15 112.67 0.1 . . . . . . 197 GLN NE2 . 15717 1 1444 . 1 1 198 198 ALA H H 1 8.106 0.01 . . . . . . 198 ALA H . 15717 1 1445 . 1 1 198 198 ALA HA H 1 4.19 0.01 . . . . . . 198 ALA HA . 15717 1 1446 . 1 1 198 198 ALA HB1 H 1 1.486 0.01 . . . . . . 198 ALA HB . 15717 1 1447 . 1 1 198 198 ALA HB2 H 1 1.486 0.01 . . . . . . 198 ALA HB . 15717 1 1448 . 1 1 198 198 ALA HB3 H 1 1.486 0.01 . . . . . . 198 ALA HB . 15717 1 1449 . 1 1 198 198 ALA C C 13 179.652 0.1 . . . . . . 198 ALA C . 15717 1 1450 . 1 1 198 198 ALA CA C 13 54.389 0.1 . . . . . . 198 ALA CA . 15717 1 1451 . 1 1 198 198 ALA CB C 13 19.042 0.1 . . . . . . 198 ALA CB . 15717 1 1452 . 1 1 198 198 ALA N N 15 122.979 0.1 . . . . . . 198 ALA N . 15717 1 1453 . 1 1 199 199 GLU H H 1 7.941 0.01 . . . . . . 199 GLU H . 15717 1 1454 . 1 1 199 199 GLU HA H 1 4.184 0.01 . . . . . . 199 GLU HA . 15717 1 1455 . 1 1 199 199 GLU HB2 H 1 2.200 0.01 . . . . . . 199 GLU HB1 . 15717 1 1456 . 1 1 199 199 GLU HB3 H 1 1.939 0.01 . . . . . . 199 GLU HB2 . 15717 1 1457 . 1 1 199 199 GLU HG2 H 1 2.287 0.01 . . . . . . 199 GLU HG1 . 15717 1 1458 . 1 1 199 199 GLU HG3 H 1 2.130 0.01 . . . . . . 199 GLU HG2 . 15717 1 1459 . 1 1 199 199 GLU C C 13 177.836 0.1 . . . . . . 199 GLU C . 15717 1 1460 . 1 1 199 199 GLU CA C 13 57.937 0.1 . . . . . . 199 GLU CA . 15717 1 1461 . 1 1 199 199 GLU CB C 13 29.871 0.1 . . . . . . 199 GLU CB . 15717 1 1462 . 1 1 199 199 GLU CG C 13 36.173 0.1 . . . . . . 199 GLU CG . 15717 1 1463 . 1 1 199 199 GLU N N 15 117.777 0.1 . . . . . . 199 GLU N . 15717 1 1464 . 1 1 200 200 LEU H H 1 7.763 0.01 . . . . . . 200 LEU H . 15717 1 1465 . 1 1 200 200 LEU HA H 1 4.28 0.01 . . . . . . 200 LEU HA . 15717 1 1466 . 1 1 200 200 LEU HB2 H 1 1.798 0.01 . . . . . . 200 LEU HB1 . 15717 1 1467 . 1 1 200 200 LEU HB3 H 1 1.654 0.01 . . . . . . 200 LEU HB2 . 15717 1 1468 . 1 1 200 200 LEU HD11 H 1 0.95 0.01 . . . . . . 200 LEU HD1 . 15717 1 1469 . 1 1 200 200 LEU HD12 H 1 0.95 0.01 . . . . . . 200 LEU HD1 . 15717 1 1470 . 1 1 200 200 LEU HD13 H 1 0.95 0.01 . . . . . . 200 LEU HD1 . 15717 1 1471 . 1 1 200 200 LEU HD21 H 1 0.91 0.01 . . . . . . 200 LEU HD2 . 15717 1 1472 . 1 1 200 200 LEU HD22 H 1 0.91 0.01 . . . . . . 200 LEU HD2 . 15717 1 1473 . 1 1 200 200 LEU HD23 H 1 0.91 0.01 . . . . . . 200 LEU HD2 . 15717 1 1474 . 1 1 200 200 LEU C C 13 178.382 0.1 . . . . . . 200 LEU C . 15717 1 1475 . 1 1 200 200 LEU CA C 13 56.315 0.1 . . . . . . 200 LEU CA . 15717 1 1476 . 1 1 200 200 LEU CB C 13 42.194 0.1 . . . . . . 200 LEU CB . 15717 1 1477 . 1 1 200 200 LEU CD1 C 13 26.9 0.1 . . . . . . 200 LEU CD1 . 15717 1 1478 . 1 1 200 200 LEU CD2 C 13 25.0 0.1 . . . . . . 200 LEU CD2 . 15717 1 1479 . 1 1 200 200 LEU N N 15 120.195 0.1 . . . . . . 200 LEU N . 15717 1 1480 . 1 1 201 201 SER H H 1 8.014 0.01 . . . . . . 201 SER H . 15717 1 1481 . 1 1 201 201 SER HA H 1 4.343 0.01 . . . . . . 201 SER HA . 15717 1 1482 . 1 1 201 201 SER HB2 H 1 3.927 0.01 . . . . . . 201 SER HB1 . 15717 1 1483 . 1 1 201 201 SER C C 13 175.038 0.1 . . . . . . 201 SER C . 15717 1 1484 . 1 1 201 201 SER CA C 13 59.410 0.1 . . . . . . 201 SER CA . 15717 1 1485 . 1 1 201 201 SER CB C 13 63.518 0.1 . . . . . . 201 SER CB . 15717 1 1486 . 1 1 201 201 SER N N 15 114.513 0.1 . . . . . . 201 SER N . 15717 1 1487 . 1 1 202 202 LEU H H 1 7.893 0.01 . . . . . . 202 LEU H . 15717 1 1488 . 1 1 202 202 LEU CA C 13 55.87 0.1 . . . . . . 202 LEU CA . 15717 1 1489 . 1 1 202 202 LEU CB C 13 42.19 0.1 . . . . . . 202 LEU CB . 15717 1 1490 . 1 1 202 202 LEU N N 15 122.426 0.1 . . . . . . 202 LEU N . 15717 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15717 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 2 _RDC_list.Sample_condition_list_label $sample_conditions_2 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 11 '3D HNCO antiphase' . . . 15717 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHACA . 1 1 32 32 ASP HA H 1 . . 1 1 32 32 ASP CA C 13 . -4.810 . . 0.4 . . . . . . . . . . . 15717 1 2 DHACA . 1 1 33 33 GLN HA H 1 . . 1 1 33 33 GLN CA C 13 . -4.190 . . 0.4 . . . . . . . . . . . 15717 1 3 DHACA . 1 1 35 35 LEU HA H 1 . . 1 1 35 35 LEU CA C 13 . 18.290 . . 0.4 . . . . . . . . . . . 15717 1 4 DHACA . 1 1 36 36 ARG HA H 1 . . 1 1 36 36 ARG CA C 13 . -13.230 . . 0.4 . . . . . . . . . . . 15717 1 5 DHACA . 1 1 44 44 ALA HA H 1 . . 1 1 44 44 ALA CA C 13 . -10.110 . . 0.4 . . . . . . . . . . . 15717 1 6 DHACA . 1 1 45 45 PHE HA H 1 . . 1 1 45 45 PHE CA C 13 . -2.000 . . 0.4 . . . . . . . . . . . 15717 1 7 DHACA . 1 1 46 46 LEU HA H 1 . . 1 1 46 46 LEU CA C 13 . 11.050 . . 0.4 . . . . . . . . . . . 15717 1 8 DHACA . 1 1 47 47 GLY HA2 H 1 . . 1 1 47 47 GLY CA C 13 . -4.330 . . 0.4 . . . . . . . . . . . 15717 1 9 DHACA . 1 1 47 47 GLY HA3 H 1 . . 1 1 47 47 GLY CA C 13 . -4.330 . . 0.4 . . . . . . . . . . . 15717 1 10 DHACA . 1 1 48 48 THR HA H 1 . . 1 1 48 48 THR CA C 13 . -40.520 . . 0.4 . . . . . . . . . . . 15717 1 11 DHACA . 1 1 49 49 ASP HA H 1 . . 1 1 49 49 ASP CA C 13 . 22.630 . . 0.4 . . . . . . . . . . . 15717 1 12 DHACA . 1 1 51 51 VAL HA H 1 . . 1 1 51 51 VAL CA C 13 . 18.760 . . 0.4 . . . . . . . . . . . 15717 1 13 DHACA . 1 1 52 52 LYS HA H 1 . . 1 1 52 52 LYS CA C 13 . 17.630 . . 0.4 . . . . . . . . . . . 15717 1 14 DHACA . 1 1 54 54 TYR HA H 1 . . 1 1 54 54 TYR CA C 13 . 26.170 . . 0.4 . . . . . . . . . . . 15717 1 15 DHACA . 1 1 55 55 ARG HA H 1 . . 1 1 55 55 ARG CA C 13 . 23.180 . . 0.4 . . . . . . . . . . . 15717 1 16 DHACA . 1 1 56 56 PHE HA H 1 . . 1 1 56 56 PHE CA C 13 . -10.400 . . 0.4 . . . . . . . . . . . 15717 1 17 DHACA . 1 1 58 58 PRO HA H 1 . . 1 1 58 58 PRO CA C 13 . 18.640 . . 0.4 . . . . . . . . . . . 15717 1 18 DHACA . 1 1 59 59 GLU HA H 1 . . 1 1 59 59 GLU CA C 13 . 15.450 . . 0.4 . . . . . . . . . . . 15717 1 19 DHACA . 1 1 61 61 HIS HA H 1 . . 1 1 61 61 HIS CA C 13 . -34.070 . . 0.4 . . . . . . . . . . . 15717 1 20 DHACA . 1 1 63 63 THR HA H 1 . . 1 1 63 63 THR CA C 13 . -7.080 . . 0.4 . . . . . . . . . . . 15717 1 21 DHACA . 1 1 64 64 VAL HA H 1 . . 1 1 64 64 VAL CA C 13 . 22.010 . . 0.4 . . . . . . . . . . . 15717 1 22 DHACA . 1 1 65 65 VAL HA H 1 . . 1 1 65 65 VAL CA C 13 . 24.560 . . 0.4 . . . . . . . . . . . 15717 1 23 DHACA . 1 1 66 66 ALA HA H 1 . . 1 1 66 66 ALA CA C 13 . 30.150 . . 0.4 . . . . . . . . . . . 15717 1 24 DHACA . 1 1 67 67 GLU HA H 1 . . 1 1 67 67 GLU CA C 13 . 21.110 . . 0.4 . . . . . . . . . . . 15717 1 25 DHACA . 1 1 68 68 ALA HA H 1 . . 1 1 68 68 ALA CA C 13 . 27.500 . . 0.4 . . . . . . . . . . . 15717 1 26 DHACA . 1 1 69 69 ARG HA H 1 . . 1 1 69 69 ARG CA C 13 . 26.360 . . 0.4 . . . . . . . . . . . 15717 1 27 DHACA . 1 1 70 70 GLY HA2 H 1 . . 1 1 70 70 GLY CA C 13 . 11.260 . . 0.4 . . . . . . . . . . . 15717 1 28 DHACA . 1 1 70 70 GLY HA3 H 1 . . 1 1 70 70 GLY CA C 13 . 11.260 . . 0.4 . . . . . . . . . . . 15717 1 29 DHACA . 1 1 72 72 GLU HA H 1 . . 1 1 72 72 GLU CA C 13 . -30.950 . . 0.4 . . . . . . . . . . . 15717 1 30 DHACA . 1 1 73 73 ARG HA H 1 . . 1 1 73 73 ARG CA C 13 . -6.750 . . 0.4 . . . . . . . . . . . 15717 1 31 DHACA . 1 1 76 76 SER HA H 1 . . 1 1 76 76 SER CA C 13 . 20.720 . . 0.4 . . . . . . . . . . . 15717 1 32 DHACA . 1 1 77 77 LEU HA H 1 . . 1 1 77 77 LEU CA C 13 . 6.990 . . 0.4 . . . . . . . . . . . 15717 1 33 DHACA . 1 1 78 78 LEU HA H 1 . . 1 1 78 78 LEU CA C 13 . 27.710 . . 0.4 . . . . . . . . . . . 15717 1 34 DHACA . 1 1 79 79 GLY HA2 H 1 . . 1 1 79 79 GLY CA C 13 . 12.840 . . 0.4 . . . . . . . . . . . 15717 1 35 DHACA . 1 1 79 79 GLY HA3 H 1 . . 1 1 79 79 GLY CA C 13 . 12.840 . . 0.4 . . . . . . . . . . . 15717 1 36 DHACA . 1 1 80 80 LEU HA H 1 . . 1 1 80 80 LEU CA C 13 . 10.660 . . 0.4 . . . . . . . . . . . 15717 1 37 DHACA . 1 1 81 81 THR HA H 1 . . 1 1 81 81 THR CA C 13 . 5.890 . . 0.4 . . . . . . . . . . . 15717 1 38 DHACA . 1 1 85 85 GLY HA2 H 1 . . 1 1 85 85 GLY CA C 13 . 35.490 . . 0.4 . . . . . . . . . . . 15717 1 39 DHACA . 1 1 85 85 GLY HA3 H 1 . . 1 1 85 85 GLY CA C 13 . 35.490 . . 0.4 . . . . . . . . . . . 15717 1 40 DHACA . 1 1 86 86 ASP HA H 1 . . 1 1 86 86 ASP CA C 13 . -22.270 . . 0.4 . . . . . . . . . . . 15717 1 41 DHACA . 1 1 90 90 GLU HA H 1 . . 1 1 90 90 GLU CA C 13 . -1.650 . . 0.4 . . . . . . . . . . . 15717 1 42 DHACA . 1 1 91 91 ALA HA H 1 . . 1 1 91 91 ALA CA C 13 . 6.420 . . 0.4 . . . . . . . . . . . 15717 1 43 DHACA . 1 1 92 92 ARG HA H 1 . . 1 1 92 92 ARG CA C 13 . 12.950 . . 0.4 . . . . . . . . . . . 15717 1 44 DHACA . 1 1 93 93 ARG HA H 1 . . 1 1 93 93 ARG CA C 13 . -35.190 . . 0.4 . . . . . . . . . . . 15717 1 45 DHACA . 1 1 94 94 LEU HA H 1 . . 1 1 94 94 LEU CA C 13 . 27.830 . . 0.4 . . . . . . . . . . . 15717 1 46 DHACA . 1 1 95 95 PHE HA H 1 . . 1 1 95 95 PHE CA C 13 . -14.710 . . 0.4 . . . . . . . . . . . 15717 1 47 DHACA . 1 1 96 96 ARG HA H 1 . . 1 1 96 96 ARG CA C 13 . 12.710 . . 0.4 . . . . . . . . . . . 15717 1 48 DHACA . 1 1 98 98 ALA HA H 1 . . 1 1 98 98 ALA CA C 13 . 13.170 . . 0.4 . . . . . . . . . . . 15717 1 49 DHACA . 1 1 99 99 GLN HA H 1 . . 1 1 99 99 GLN CA C 13 . 21.780 . . 0.4 . . . . . . . . . . . 15717 1 50 DHACA . 1 1 100 100 VAL HA H 1 . . 1 1 100 100 VAL CA C 13 . 16.530 . . 0.4 . . . . . . . . . . . 15717 1 51 DHACA . 1 1 101 101 ARG HA H 1 . . 1 1 101 101 ARG CA C 13 . 10.120 . . 0.4 . . . . . . . . . . . 15717 1 52 DHACA . 1 1 103 103 ILE HA H 1 . . 1 1 103 103 ILE CA C 13 . 31.780 . . 0.4 . . . . . . . . . . . 15717 1 53 DHACA . 1 1 105 105 ASP HA H 1 . . 1 1 105 105 ASP CA C 13 . 29.370 . . 0.4 . . . . . . . . . . . 15717 1 54 DHACA . 1 1 106 106 VAL HA H 1 . . 1 1 106 106 VAL CA C 13 . 7.230 . . 0.4 . . . . . . . . . . . 15717 1 55 DHACA . 1 1 107 107 GLU HA H 1 . . 1 1 107 107 GLU CA C 13 . 5.500 . . 0.4 . . . . . . . . . . . 15717 1 56 DHACA . 1 1 108 108 ALA HA H 1 . . 1 1 108 108 ALA CA C 13 . -33.720 . . 0.4 . . . . . . . . . . . 15717 1 57 DHACA . 1 1 110 110 SER HA H 1 . . 1 1 110 110 SER CA C 13 . 17.290 . . 0.4 . . . . . . . . . . . 15717 1 58 DHACA . 1 1 111 111 ARG HA H 1 . . 1 1 111 111 ARG CA C 13 . 26.330 . . 0.4 . . . . . . . . . . . 15717 1 59 DHACA . 1 1 112 112 SER HA H 1 . . 1 1 112 112 SER CA C 13 . 28.800 . . 0.4 . . . . . . . . . . . 15717 1 60 DHACA . 1 1 113 113 ILE HA H 1 . . 1 1 113 113 ILE CA C 13 . 25.790 . . 0.4 . . . . . . . . . . . 15717 1 61 DHACA . 1 1 124 124 ARG HA H 1 . . 1 1 124 124 ARG CA C 13 . 2.170 . . 0.4 . . . . . . . . . . . 15717 1 62 DHACA . 1 1 128 128 GLY HA2 H 1 . . 1 1 128 128 GLY CA C 13 . 9.000 . . 0.4 . . . . . . . . . . . 15717 1 63 DHACA . 1 1 128 128 GLY HA3 H 1 . . 1 1 128 128 GLY CA C 13 . 9.000 . . 0.4 . . . . . . . . . . . 15717 1 64 DHACA . 1 1 130 130 PRO HA H 1 . . 1 1 130 130 PRO CA C 13 . 14.290 . . 0.4 . . . . . . . . . . . 15717 1 65 DHACA . 1 1 131 131 LEU HA H 1 . . 1 1 131 131 LEU CA C 13 . -30.590 . . 0.4 . . . . . . . . . . . 15717 1 66 DHACA . 1 1 132 132 GLN HA H 1 . . 1 1 132 132 GLN CA C 13 . 17.200 . . 0.4 . . . . . . . . . . . 15717 1 67 DHACA . 1 1 134 134 PRO HA H 1 . . 1 1 134 134 PRO CA C 13 . 2.140 . . 0.4 . . . . . . . . . . . 15717 1 68 DHACA . 1 1 137 137 PRO HA H 1 . . 1 1 137 137 PRO CA C 13 . -8.230 . . 0.4 . . . . . . . . . . . 15717 1 69 DHACA . 1 1 138 138 CYC HA H 1 . . 1 1 138 138 CYC CA C 13 . 8.620 . . 0.4 . . . . . . . . . . . 15717 1 70 DHACA . 1 1 138 138 CYC HAA1 H 1 . . 1 1 138 138 CYC CAA C 13 . -1.77 . . 0.4 . . . . . . . . . . . 15717 1 71 DHACA . 1 1 138 138 CYC HAA2 H 1 . . 1 1 138 138 CYC CAA C 13 . -1.77 . . 0.4 . . . . . . . . . . . 15717 1 72 DHACA . 1 1 138 138 CYC HAB1 H 1 . . 1 1 138 138 CYC CAB C 13 . 0.09 . . 0.4 . . . . . . . . . . . 15717 1 73 DHACA . 1 1 138 138 CYC HAB2 H 1 . . 1 1 138 138 CYC CAB C 13 . 0.09 . . 0.4 . . . . . . . . . . . 15717 1 74 DHACA . 1 1 138 138 CYC HAC1 H 1 . . 1 1 138 138 CYC CAC C 13 . 4.60 . . 0.4 . . . . . . . . . . . 15717 1 75 DHACA . 1 1 138 138 CYC HAC2 H 1 . . 1 1 138 138 CYC CAC C 13 . 4.60 . . 0.4 . . . . . . . . . . . 15717 1 76 DHACA . 1 1 138 138 CYC HAD1 H 1 . . 1 1 138 138 CYC CAD C 13 . -5.83 . . 0.4 . . . . . . . . . . . 15717 1 77 DHACA . 1 1 138 138 CYC HAD2 H 1 . . 1 1 138 138 CYC CAD C 13 . -5.83 . . 0.4 . . . . . . . . . . . 15717 1 78 DHACA . 1 1 138 138 CYC HAE1 H 1 . . 1 1 138 138 CYC CAE C 13 . 1.59 . . 0.4 . . . . . . . . . . . 15717 1 79 DHACA . 1 1 138 138 CYC HAE2 H 1 . . 1 1 138 138 CYC CAE C 13 . 1.59 . . 0.4 . . . . . . . . . . . 15717 1 80 DHACA . 1 1 138 138 CYC HAF1 H 1 . . 1 1 138 138 CYC CAF C 13 . -7.89 . . 0.4 . . . . . . . . . . . 15717 1 81 DHACA . 1 1 138 138 CYC HAF2 H 1 . . 1 1 138 138 CYC CAF C 13 . -7.89 . . 0.4 . . . . . . . . . . . 15717 1 82 DHACA . 1 1 139 139 HIS HA H 1 . . 1 1 139 139 HIS CA C 13 . 7.900 . . 0.4 . . . . . . . . . . . 15717 1 83 DHACA . 1 1 140 140 VAL HA H 1 . . 1 1 140 140 VAL CA C 13 . 2.390 . . 0.4 . . . . . . . . . . . 15717 1 84 DHACA . 1 1 141 141 HIS HA H 1 . . 1 1 141 141 HIS CA C 13 . -24.470 . . 0.4 . . . . . . . . . . . 15717 1 85 DHACA . 1 1 142 142 TYR HA H 1 . . 1 1 142 142 TYR CA C 13 . 17.340 . . 0.4 . . . . . . . . . . . 15717 1 86 DHACA . 1 1 143 143 LEU HA H 1 . . 1 1 143 143 LEU CA C 13 . -5.110 . . 0.4 . . . . . . . . . . . 15717 1 87 DHACA . 1 1 144 144 LYS HA H 1 . . 1 1 144 144 LYS CA C 13 . -2.100 . . 0.4 . . . . . . . . . . . 15717 1 88 DHACA . 1 1 145 145 SER HA H 1 . . 1 1 145 145 SER CA C 13 . -18.330 . . 0.4 . . . . . . . . . . . 15717 1 89 DHACA . 1 1 146 146 MET HA H 1 . . 1 1 146 146 MET CA C 13 . 20.490 . . 0.4 . . . . . . . . . . . 15717 1 90 DHACA . 1 1 147 147 GLY HA2 H 1 . . 1 1 147 147 GLY CA C 13 . -1.570 . . 0.4 . . . . . . . . . . . 15717 1 91 DHACA . 1 1 147 147 GLY HA3 H 1 . . 1 1 147 147 GLY CA C 13 . -1.570 . . 0.4 . . . . . . . . . . . 15717 1 92 DHACA . 1 1 148 148 VAL HA H 1 . . 1 1 148 148 VAL CA C 13 . 6.380 . . 0.4 . . . . . . . . . . . 15717 1 93 DHACA . 1 1 149 149 ALA HA H 1 . . 1 1 149 149 ALA CA C 13 . 6.400 . . 0.4 . . . . . . . . . . . 15717 1 94 DHACA . 1 1 150 150 SER HA H 1 . . 1 1 150 150 SER CA C 13 . 26.050 . . 0.4 . . . . . . . . . . . 15717 1 95 DHACA . 1 1 153 153 VAL HA H 1 . . 1 1 153 153 VAL CA C 13 . 30.630 . . 0.4 . . . . . . . . . . . 15717 1 96 DHACA . 1 1 155 155 PRO HA H 1 . . 1 1 155 155 PRO CA C 13 . 21.090 . . 0.4 . . . . . . . . . . . 15717 1 97 DHACA . 1 1 156 156 LEU HA H 1 . . 1 1 156 156 LEU CA C 13 . 8.210 . . 0.4 . . . . . . . . . . . 15717 1 98 DHACA . 1 1 157 157 MET HA H 1 . . 1 1 157 157 MET CA C 13 . -5.650 . . 0.4 . . . . . . . . . . . 15717 1 99 DHACA . 1 1 160 160 GLN HA H 1 . . 1 1 160 160 GLN CA C 13 . -20.630 . . 0.4 . . . . . . . . . . . 15717 1 100 DHACA . 1 1 161 161 GLU HA H 1 . . 1 1 161 161 GLU CA C 13 . 18.370 . . 0.4 . . . . . . . . . . . 15717 1 101 DHACA . 1 1 163 163 TRP HA H 1 . . 1 1 163 163 TRP CA C 13 . -20.060 . . 0.4 . . . . . . . . . . . 15717 1 102 DHACA . 1 1 166 166 LEU HA H 1 . . 1 1 166 166 LEU CA C 13 . 32.880 . . 0.4 . . . . . . . . . . . 15717 1 103 DHACA . 1 1 168 168 SER HA H 1 . . 1 1 168 168 SER CA C 13 . 27.120 . . 0.4 . . . . . . . . . . . 15717 1 104 DHACA . 1 1 170 170 HIS HA H 1 . . 1 1 170 170 HIS CA C 13 . 31.810 . . 0.4 . . . . . . . . . . . 15717 1 105 DHACA . 1 1 171 171 ALA HA H 1 . . 1 1 171 171 ALA CA C 13 . 6.050 . . 0.4 . . . . . . . . . . . 15717 1 106 DHACA . 1 1 175 175 PRO HA H 1 . . 1 1 175 175 PRO CA C 13 . 4.160 . . 0.4 . . . . . . . . . . . 15717 1 107 DHACA . 1 1 176 176 TYR HA H 1 . . 1 1 176 176 TYR CA C 13 . 32.260 . . 0.4 . . . . . . . . . . . 15717 1 108 DHACA . 1 1 182 182 GLN HA H 1 . . 1 1 182 182 GLN CA C 13 . 2.670 . . 0.4 . . . . . . . . . . . 15717 1 109 DHACA . 1 1 183 183 VAL HA H 1 . . 1 1 183 183 VAL CA C 13 . -16.420 . . 0.4 . . . . . . . . . . . 15717 1 110 DHACA . 1 1 184 184 VAL HA H 1 . . 1 1 184 184 VAL CA C 13 . 16.950 . . 0.4 . . . . . . . . . . . 15717 1 111 DHACA . 1 1 186 186 LEU HA H 1 . . 1 1 186 186 LEU CA C 13 . -0.010 . . 0.4 . . . . . . . . . . . 15717 1 112 DHACA . 1 1 187 187 LEU HA H 1 . . 1 1 187 187 LEU CA C 13 . -12.080 . . 0.4 . . . . . . . . . . . 15717 1 113 DHACA . 1 1 188 188 ALA HA H 1 . . 1 1 188 188 ALA CA C 13 . 27.600 . . 0.4 . . . . . . . . . . . 15717 1 114 DHACA . 1 1 191 191 VAL HA H 1 . . 1 1 191 191 VAL CA C 13 . 12.570 . . 0.4 . . . . . . . . . . . 15717 1 115 DHACA . 1 1 193 193 ILE HA H 1 . . 1 1 193 193 ILE CA C 13 . 5.390 . . 0.4 . . . . . . . . . . . 15717 1 116 DHACA . 1 1 194 194 ALA HA H 1 . . 1 1 194 194 ALA CA C 13 . -22.650 . . 0.4 . . . . . . . . . . . 15717 1 117 DHACA . 1 1 195 195 ILE HA H 1 . . 1 1 195 195 ILE CA C 13 . 31.370 . . 0.4 . . . . . . . . . . . 15717 1 118 DHACA . 1 1 196 196 ALA HA H 1 . . 1 1 196 196 ALA CA C 13 . 2.420 . . 0.4 . . . . . . . . . . . 15717 1 119 DHACA . 1 1 197 197 GLN HA H 1 . . 1 1 197 197 GLN CA C 13 . -13.550 . . 0.4 . . . . . . . . . . . 15717 1 120 DHACA . 1 1 198 198 ALA HA H 1 . . 1 1 198 198 ALA CA C 13 . 5.860 . . 0.4 . . . . . . . . . . . 15717 1 121 DHACA . 1 1 199 199 GLU HA H 1 . . 1 1 199 199 GLU CA C 13 . 21.050 . . 0.4 . . . . . . . . . . . 15717 1 122 DHACA . 1 1 200 200 LEU HA H 1 . . 1 1 200 200 LEU CA C 13 . 4.640 . . 0.4 . . . . . . . . . . . 15717 1 123 DNH . 1 1 32 32 ASP N N 15 . . 1 1 32 32 ASP H H 1 . -15.020 . . 0.4 . . . . . . . . . . . 15717 1 124 DNH . 1 1 33 33 GLN N N 15 . . 1 1 33 33 GLN H H 1 . -17.860 . . 0.4 . . . . . . . . . . . 15717 1 125 DNH . 1 1 34 34 ILE N N 15 . . 1 1 34 34 ILE H H 1 . -16.480 . . 0.4 . . . . . . . . . . . 15717 1 126 DNH . 1 1 35 35 LEU N N 15 . . 1 1 35 35 LEU H H 1 . -14.390 . . 0.4 . . . . . . . . . . . 15717 1 127 DNH . 1 1 36 36 ARG N N 15 . . 1 1 36 36 ARG H H 1 . -15.380 . . 0.4 . . . . . . . . . . . 15717 1 128 DNH . 1 1 37 37 ALA N N 15 . . 1 1 37 37 ALA H H 1 . -21.160 . . 0.4 . . . . . . . . . . . 15717 1 129 DNH . 1 1 39 39 VAL N N 15 . . 1 1 39 39 VAL H H 1 . -10.460 . . 0.4 . . . . . . . . . . . 15717 1 130 DNH . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H H 1 . -19.790 . . 0.4 . . . . . . . . . . . 15717 1 131 DNH . 1 1 43 43 ARG N N 15 . . 1 1 43 43 ARG H H 1 . -11.860 . . 0.4 . . . . . . . . . . . 15717 1 132 DNH . 1 1 44 44 ALA N N 15 . . 1 1 44 44 ALA H H 1 . -17.640 . . 0.4 . . . . . . . . . . . 15717 1 133 DNH . 1 1 45 45 PHE N N 15 . . 1 1 45 45 PHE H H 1 . -16.370 . . 0.4 . . . . . . . . . . . 15717 1 134 DNH . 1 1 46 46 LEU N N 15 . . 1 1 46 46 LEU H H 1 . -12.500 . . 0.4 . . . . . . . . . . . 15717 1 135 DNH . 1 1 47 47 GLY N N 15 . . 1 1 47 47 GLY H H 1 . -15.920 . . 0.4 . . . . . . . . . . . 15717 1 136 DNH . 1 1 48 48 THR N N 15 . . 1 1 48 48 THR H H 1 . -13.530 . . 0.4 . . . . . . . . . . . 15717 1 137 DNH . 1 1 49 49 ASP N N 15 . . 1 1 49 49 ASP H H 1 . -3.930 . . 0.4 . . . . . . . . . . . 15717 1 138 DNH . 1 1 50 50 ARG N N 15 . . 1 1 50 50 ARG H H 1 . 11.940 . . 0.4 . . . . . . . . . . . 15717 1 139 DNH . 1 1 51 51 VAL N N 15 . . 1 1 51 51 VAL H H 1 . 16.360 . . 0.4 . . . . . . . . . . . 15717 1 140 DNH . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . 10.490 . . 0.4 . . . . . . . . . . . 15717 1 141 DNH . 1 1 53 53 VAL N N 15 . . 1 1 53 53 VAL H H 1 . 15.150 . . 0.4 . . . . . . . . . . . 15717 1 142 DNH . 1 1 54 54 TYR N N 15 . . 1 1 54 54 TYR H H 1 . 13.890 . . 0.4 . . . . . . . . . . . 15717 1 143 DNH . 1 1 55 55 ARG N N 15 . . 1 1 55 55 ARG H H 1 . 14.520 . . 0.4 . . . . . . . . . . . 15717 1 144 DNH . 1 1 56 56 PHE N N 15 . . 1 1 56 56 PHE H H 1 . 5.970 . . 0.4 . . . . . . . . . . . 15717 1 145 DNH . 1 1 57 57 ASP N N 15 . . 1 1 57 57 ASP H H 1 . -11.240 . . 0.4 . . . . . . . . . . . 15717 1 146 DNH . 1 1 59 59 GLU N N 15 . . 1 1 59 59 GLU H H 1 . 13.110 . . 0.4 . . . . . . . . . . . 15717 1 147 DNH . 1 1 60 60 GLY N N 15 . . 1 1 60 60 GLY H H 1 . -3.180 . . 0.4 . . . . . . . . . . . 15717 1 148 DNH . 1 1 61 61 HIS N N 15 . . 1 1 61 61 HIS H H 1 . -18.130 . . 0.4 . . . . . . . . . . . 15717 1 149 DNH . 1 1 62 62 GLY N N 15 . . 1 1 62 62 GLY H H 1 . -8.720 . . 0.4 . . . . . . . . . . . 15717 1 150 DNH . 1 1 63 63 THR N N 15 . . 1 1 63 63 THR H H 1 . -1.550 . . 0.4 . . . . . . . . . . . 15717 1 151 DNH . 1 1 64 64 VAL N N 15 . . 1 1 64 64 VAL H H 1 . 6.320 . . 0.4 . . . . . . . . . . . 15717 1 152 DNH . 1 1 65 65 VAL N N 15 . . 1 1 65 65 VAL H H 1 . 16.090 . . 0.4 . . . . . . . . . . . 15717 1 153 DNH . 1 1 66 66 ALA N N 15 . . 1 1 66 66 ALA H H 1 . 2.690 . . 0.4 . . . . . . . . . . . 15717 1 154 DNH . 1 1 67 67 GLU N N 15 . . 1 1 67 67 GLU H H 1 . 8.150 . . 0.4 . . . . . . . . . . . 15717 1 155 DNH . 1 1 68 68 ALA N N 15 . . 1 1 68 68 ALA H H 1 . 13.790 . . 0.4 . . . . . . . . . . . 15717 1 156 DNH . 1 1 69 69 ARG N N 15 . . 1 1 69 69 ARG H H 1 . 7.970 . . 0.4 . . . . . . . . . . . 15717 1 157 DNH . 1 1 70 70 GLY N N 15 . . 1 1 70 70 GLY H H 1 . 10.000 . . 0.4 . . . . . . . . . . . 15717 1 158 DNH . 1 1 73 73 ARG N N 15 . . 1 1 73 73 ARG H H 1 . 0.450 . . 0.4 . . . . . . . . . . . 15717 1 159 DNH . 1 1 74 74 LEU N N 15 . . 1 1 74 74 LEU H H 1 . 0.860 . . 0.4 . . . . . . . . . . . 15717 1 160 DNH . 1 1 76 76 SER N N 15 . . 1 1 76 76 SER H H 1 . 15.300 . . 0.4 . . . . . . . . . . . 15717 1 161 DNH . 1 1 77 77 LEU N N 15 . . 1 1 77 77 LEU H H 1 . 4.280 . . 0.4 . . . . . . . . . . . 15717 1 162 DNH . 1 1 78 78 LEU N N 15 . . 1 1 78 78 LEU H H 1 . -5.620 . . 0.4 . . . . . . . . . . . 15717 1 163 DNH . 1 1 79 79 GLY N N 15 . . 1 1 79 79 GLY H H 1 . 12.240 . . 0.4 . . . . . . . . . . . 15717 1 164 DNH . 1 1 80 80 LEU N N 15 . . 1 1 80 80 LEU H H 1 . -7.480 . . 0.4 . . . . . . . . . . . 15717 1 165 DNH . 1 1 81 81 THR N N 15 . . 1 1 81 81 THR H H 1 . 8.160 . . 0.4 . . . . . . . . . . . 15717 1 166 DNH . 1 1 82 82 PHE N N 15 . . 1 1 82 82 PHE H H 1 . -3.950 . . 0.4 . . . . . . . . . . . 15717 1 167 DNH . 1 1 85 85 GLY N N 15 . . 1 1 85 85 GLY H H 1 . 2.150 . . 0.4 . . . . . . . . . . . 15717 1 168 DNH . 1 1 86 86 ASP N N 15 . . 1 1 86 86 ASP H H 1 . -0.230 . . 0.4 . . . . . . . . . . . 15717 1 169 DNH . 1 1 87 87 ILE N N 15 . . 1 1 87 87 ILE H H 1 . -12.810 . . 0.4 . . . . . . . . . . . 15717 1 170 DNH . 1 1 89 89 GLU N N 15 . . 1 1 89 89 GLU H H 1 . -13.480 . . 0.4 . . . . . . . . . . . 15717 1 171 DNH . 1 1 91 91 ALA N N 15 . . 1 1 91 91 ALA H H 1 . 5.360 . . 0.4 . . . . . . . . . . . 15717 1 172 DNH . 1 1 92 92 ARG N N 15 . . 1 1 92 92 ARG H H 1 . 0.450 . . 0.4 . . . . . . . . . . . 15717 1 173 DNH . 1 1 93 93 ARG N N 15 . . 1 1 93 93 ARG H H 1 . -1.670 . . 0.4 . . . . . . . . . . . 15717 1 174 DNH . 1 1 94 94 LEU N N 15 . . 1 1 94 94 LEU H H 1 . -1.010 . . 0.4 . . . . . . . . . . . 15717 1 175 DNH . 1 1 95 95 PHE N N 15 . . 1 1 95 95 PHE H H 1 . 5.320 . . 0.4 . . . . . . . . . . . 15717 1 176 DNH . 1 1 96 96 ARG N N 15 . . 1 1 96 96 ARG H H 1 . 1.150 . . 0.4 . . . . . . . . . . . 15717 1 177 DNH . 1 1 97 97 LEU N N 15 . . 1 1 97 97 LEU H H 1 . -6.250 . . 0.4 . . . . . . . . . . . 15717 1 178 DNH . 1 1 98 98 ALA N N 15 . . 1 1 98 98 ALA H H 1 . 4.610 . . 0.4 . . . . . . . . . . . 15717 1 179 DNH . 1 1 99 99 GLN N N 15 . . 1 1 99 99 GLN H H 1 . -5.610 . . 0.4 . . . . . . . . . . . 15717 1 180 DNH . 1 1 100 100 VAL N N 15 . . 1 1 100 100 VAL H H 1 . -0.250 . . 0.4 . . . . . . . . . . . 15717 1 181 DNH . 1 1 101 101 ARG N N 15 . . 1 1 101 101 ARG H H 1 . 11.740 . . 0.4 . . . . . . . . . . . 15717 1 182 DNH . 1 1 104 104 VAL N N 15 . . 1 1 104 104 VAL H H 1 . 10.420 . . 0.4 . . . . . . . . . . . 15717 1 183 DNH . 1 1 106 106 VAL N N 15 . . 1 1 106 106 VAL H H 1 . 9.170 . . 0.4 . . . . . . . . . . . 15717 1 184 DNH . 1 1 107 107 GLU N N 15 . . 1 1 107 107 GLU H H 1 . 0.930 . . 0.4 . . . . . . . . . . . 15717 1 185 DNH . 1 1 108 108 ALA N N 15 . . 1 1 108 108 ALA H H 1 . -1.600 . . 0.4 . . . . . . . . . . . 15717 1 186 DNH . 1 1 109 109 GLN N N 15 . . 1 1 109 109 GLN H H 1 . 15.200 . . 0.4 . . . . . . . . . . . 15717 1 187 DNH . 1 1 110 110 SER N N 15 . . 1 1 110 110 SER H H 1 . 13.680 . . 0.4 . . . . . . . . . . . 15717 1 188 DNH . 1 1 111 111 ARG N N 15 . . 1 1 111 111 ARG H H 1 . 7.670 . . 0.4 . . . . . . . . . . . 15717 1 189 DNH . 1 1 112 112 SER N N 15 . . 1 1 112 112 SER H H 1 . 16.610 . . 0.4 . . . . . . . . . . . 15717 1 190 DNH . 1 1 113 113 ILE N N 15 . . 1 1 113 113 ILE H H 1 . 10.340 . . 0.4 . . . . . . . . . . . 15717 1 191 DNH . 1 1 114 114 SER N N 15 . . 1 1 114 114 SER H H 1 . 4.270 . . 0.4 . . . . . . . . . . . 15717 1 192 DNH . 1 1 115 115 GLN N N 15 . . 1 1 115 115 GLN H H 1 . -18.110 . . 0.4 . . . . . . . . . . . 15717 1 193 DNH . 1 1 124 124 ARG N N 15 . . 1 1 124 124 ARG H H 1 . 0.490 . . 0.4 . . . . . . . . . . . 15717 1 194 DNH . 1 1 125 125 VAL N N 15 . . 1 1 125 125 VAL H H 1 . 1.600 . . 0.4 . . . . . . . . . . . 15717 1 195 DNH . 1 1 132 132 GLN N N 15 . . 1 1 132 132 GLN H H 1 . 15.440 . . 0.4 . . . . . . . . . . . 15717 1 196 DNH . 1 1 133 133 ARG N N 15 . . 1 1 133 133 ARG H H 1 . 13.630 . . 0.4 . . . . . . . . . . . 15717 1 197 DNH . 1 1 135 135 VAL N N 15 . . 1 1 135 135 VAL H H 1 . -11.490 . . 0.4 . . . . . . . . . . . 15717 1 198 DNH . 1 1 136 136 ASP N N 15 . . 1 1 136 136 ASP H H 1 . -12.220 . . 0.4 . . . . . . . . . . . 15717 1 199 DNH . 1 1 138 138 CYC N N 15 . . 1 1 138 138 CYC H H 1 . 13.510 . . 0.4 . . . . . . . . . . . 15717 1 200 DNH . 1 1 139 139 HIS N N 15 . . 1 1 139 139 HIS H H 1 . 16.150 . . 0.4 . . . . . . . . . . . 15717 1 201 DNH . 1 1 140 140 VAL N N 15 . . 1 1 140 140 VAL H H 1 . 13.370 . . 0.4 . . . . . . . . . . . 15717 1 202 DNH . 1 1 141 141 HIS N N 15 . . 1 1 141 141 HIS H H 1 . 11.680 . . 0.4 . . . . . . . . . . . 15717 1 203 DNH . 1 1 142 142 TYR N N 15 . . 1 1 142 142 TYR H H 1 . 17.300 . . 0.4 . . . . . . . . . . . 15717 1 204 DNH . 1 1 143 143 LEU N N 15 . . 1 1 143 143 LEU H H 1 . 17.440 . . 0.4 . . . . . . . . . . . 15717 1 205 DNH . 1 1 144 144 LYS N N 15 . . 1 1 144 144 LYS H H 1 . 15.550 . . 0.4 . . . . . . . . . . . 15717 1 206 DNH . 1 1 145 145 SER N N 15 . . 1 1 145 145 SER H H 1 . 10.230 . . 0.4 . . . . . . . . . . . 15717 1 207 DNH . 1 1 146 146 MET N N 15 . . 1 1 146 146 MET H H 1 . 16.740 . . 0.4 . . . . . . . . . . . 15717 1 208 DNH . 1 1 147 147 GLY N N 15 . . 1 1 147 147 GLY H H 1 . 5.230 . . 0.4 . . . . . . . . . . . 15717 1 209 DNH . 1 1 148 148 VAL N N 15 . . 1 1 148 148 VAL H H 1 . 0.220 . . 0.4 . . . . . . . . . . . 15717 1 210 DNH . 1 1 149 149 ALA N N 15 . . 1 1 149 149 ALA H H 1 . 5.450 . . 0.4 . . . . . . . . . . . 15717 1 211 DNH . 1 1 150 150 SER N N 15 . . 1 1 150 150 SER H H 1 . 15.260 . . 0.4 . . . . . . . . . . . 15717 1 212 DNH . 1 1 151 151 SER N N 15 . . 1 1 151 151 SER H H 1 . 10.400 . . 0.4 . . . . . . . . . . . 15717 1 213 DNH . 1 1 152 152 LEU N N 15 . . 1 1 152 152 LEU H H 1 . 17.680 . . 0.4 . . . . . . . . . . . 15717 1 214 DNH . 1 1 153 153 VAL N N 15 . . 1 1 153 153 VAL H H 1 . 8.820 . . 0.4 . . . . . . . . . . . 15717 1 215 DNH . 1 1 154 154 VAL N N 15 . . 1 1 154 154 VAL H H 1 . 16.720 . . 0.4 . . . . . . . . . . . 15717 1 216 DNH . 1 1 156 156 LEU N N 15 . . 1 1 156 156 LEU H H 1 . 3.050 . . 0.4 . . . . . . . . . . . 15717 1 217 DNH . 1 1 157 157 MET N N 15 . . 1 1 157 157 MET H H 1 . -0.080 . . 0.4 . . . . . . . . . . . 15717 1 218 DNH . 1 1 158 158 HIS N N 15 . . 1 1 158 158 HIS H H 1 . 3.490 . . 0.4 . . . . . . . . . . . 15717 1 219 DNH . 1 1 161 161 GLU N N 15 . . 1 1 161 161 GLU H H 1 . -0.080 . . 0.4 . . . . . . . . . . . 15717 1 220 DNH . 1 1 162 162 LEU N N 15 . . 1 1 162 162 LEU H H 1 . 1.030 . . 0.4 . . . . . . . . . . . 15717 1 221 DNH . 1 1 163 163 TRP N N 15 . . 1 1 163 163 TRP H H 1 . 0.610 . . 0.4 . . . . . . . . . . . 15717 1 222 DNH . 1 1 164 164 GLY N N 15 . . 1 1 164 164 GLY H H 1 . 11.450 . . 0.4 . . . . . . . . . . . 15717 1 223 DNH . 1 1 165 165 LEU N N 15 . . 1 1 165 165 LEU H H 1 . 15.980 . . 0.4 . . . . . . . . . . . 15717 1 224 DNH . 1 1 166 166 LEU N N 15 . . 1 1 166 166 LEU H H 1 . 14.550 . . 0.4 . . . . . . . . . . . 15717 1 225 DNH . 1 1 167 167 VAL N N 15 . . 1 1 167 167 VAL H H 1 . 14.130 . . 0.4 . . . . . . . . . . . 15717 1 226 DNH . 1 1 168 168 SER N N 15 . . 1 1 168 168 SER H H 1 . 16.630 . . 0.4 . . . . . . . . . . . 15717 1 227 DNH . 1 1 169 169 HIS N N 15 . . 1 1 169 169 HIS H H 1 . 8.440 . . 0.4 . . . . . . . . . . . 15717 1 228 DNH . 1 1 170 170 HIS N N 15 . . 1 1 170 170 HIS H H 1 . 12.180 . . 0.4 . . . . . . . . . . . 15717 1 229 DNH . 1 1 171 171 ALA N N 15 . . 1 1 171 171 ALA H H 1 . 9.910 . . 0.4 . . . . . . . . . . . 15717 1 230 DNH . 1 1 172 172 GLU N N 15 . . 1 1 172 172 GLU H H 1 . -10.420 . . 0.4 . . . . . . . . . . . 15717 1 231 DNH . 1 1 176 176 TYR N N 15 . . 1 1 176 176 TYR H H 1 . 10.280 . . 0.4 . . . . . . . . . . . 15717 1 232 DNH . 1 1 177 177 SER N N 15 . . 1 1 177 177 SER H H 1 . 12.590 . . 0.4 . . . . . . . . . . . 15717 1 233 DNH . 1 1 179 179 GLU N N 15 . . 1 1 179 179 GLU H H 1 . -18.020 . . 0.4 . . . . . . . . . . . 15717 1 234 DNH . 1 1 183 183 VAL N N 15 . . 1 1 183 183 VAL H H 1 . -13.180 . . 0.4 . . . . . . . . . . . 15717 1 235 DNH . 1 1 184 184 VAL N N 15 . . 1 1 184 184 VAL H H 1 . -12.430 . . 0.4 . . . . . . . . . . . 15717 1 236 DNH . 1 1 187 187 LEU N N 15 . . 1 1 187 187 LEU H H 1 . -18.490 . . 0.4 . . . . . . . . . . . 15717 1 237 DNH . 1 1 188 188 ALA N N 15 . . 1 1 188 188 ALA H H 1 . -13.610 . . 0.4 . . . . . . . . . . . 15717 1 238 DNH . 1 1 189 189 ASP N N 15 . . 1 1 189 189 ASP H H 1 . -14.360 . . 0.4 . . . . . . . . . . . 15717 1 239 DNH . 1 1 190 190 GLN N N 15 . . 1 1 190 190 GLN H H 1 . -19.240 . . 0.4 . . . . . . . . . . . 15717 1 240 DNH . 1 1 191 191 VAL N N 15 . . 1 1 191 191 VAL H H 1 . -10.020 . . 0.4 . . . . . . . . . . . 15717 1 241 DNH . 1 1 192 192 SER N N 15 . . 1 1 192 192 SER H H 1 . -12.530 . . 0.4 . . . . . . . . . . . 15717 1 242 DNH . 1 1 193 193 ILE N N 15 . . 1 1 193 193 ILE H H 1 . -15.600 . . 0.4 . . . . . . . . . . . 15717 1 243 DNH . 1 1 194 194 ALA N N 15 . . 1 1 194 194 ALA H H 1 . -21.560 . . 0.4 . . . . . . . . . . . 15717 1 244 DNH . 1 1 195 195 ILE N N 15 . . 1 1 195 195 ILE H H 1 . -12.130 . . 0.4 . . . . . . . . . . . 15717 1 245 DNH . 1 1 196 196 ALA N N 15 . . 1 1 196 196 ALA H H 1 . -10.740 . . 0.4 . . . . . . . . . . . 15717 1 246 DNH . 1 1 197 197 GLN N N 15 . . 1 1 197 197 GLN H H 1 . -18.280 . . 0.4 . . . . . . . . . . . 15717 1 247 DNH . 1 1 198 198 ALA N N 15 . . 1 1 198 198 ALA H H 1 . -17.320 . . 0.4 . . . . . . . . . . . 15717 1 248 DNH . 1 1 199 199 GLU N N 15 . . 1 1 199 199 GLU H H 1 . -1.720 . . 0.4 . . . . . . . . . . . 15717 1 249 DNH . 1 1 200 200 LEU N N 15 . . 1 1 200 200 LEU H H 1 . -7.540 . . 0.4 . . . . . . . . . . . 15717 1 250 DNH . 1 1 202 202 LEU N N 15 . . 1 1 202 202 LEU H H 1 . -16.910 . . 0.4 . . . . . . . . . . . 15717 1 stop_ save_