data_16248 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16248 _Entry.Title ; PknB-phosphorylated Rv1827 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-08 _Entry.Accession_date 2009-04-08 _Entry.Last_release_date 2009-04-09 _Entry.Original_release_date 2009-04-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Stephen Smerdon . J. . . 16248 2 Timothy Nott . J. . . 16248 3 Geoff Kelly . . . . 16248 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' . 16248 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FHA domain' . 16248 'Mycobacterium tuberculosis' . 16248 'glutamate metabolism' . 16248 'intramolecular interaction' . 16248 phosphorylation . 16248 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16248 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 643 16248 '15N chemical shifts' 176 16248 '1H chemical shifts' 1029 16248 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 2 . . 2010-05-28 2009-04-08 update BMRB 'edit entity/assembly name' 16248 1 . . 2009-05-20 2009-04-08 original author 'original release' 16248 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KFU 'BMRB Entry Tracking System' 16248 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16248 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19318624 _Citation.Full_citation . _Citation.Title ; An intramolecular switch regulates phosphoindependent FHA domain interactions in Mycobacterium tuberculosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Signal' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 63 _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 . _Citation.Page_last . _Citation.Year 2009 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Timothy Nott . J. . . 16248 1 2 Geoff Kelly . . . . 16248 1 3 Lasse Stach . . . . 16248 1 4 Jiejin Li . . . . 16248 1 5 Sarah Westcott . . . . 16248 1 6 Dony Patel . . . . 16248 1 7 Debbie Hunt . M. . . 16248 1 8 Stephen Howell . . . . 16248 1 9 Roger Buxton . S. . . 16248 1 10 Helen O'Hare . M . . 16248 1 11 Stephen Smerdon . J. . . 16248 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FHA domain' 16248 1 'Mycobacterium tuberculosis' 16248 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16248 _Assembly.ID 1 _Assembly.Name 'PknB-phosphorylated Rv1827' _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 'PknB-phosphorylated Rv1827' 1 $entity A . yes native no no . . . 16248 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16248 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PknB-phosphorylated Rv1827' _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 ; GPLGSVTDMNPDIEKDQTSD EVTVETXSVFRADFLSELDA PAQAGTESAVSGVEGLPPGS ALLVVKRGPNAGSRFLLDQA ITSAGRHPDSDIFLDDVTVS RRHAEFRLENNEFNVVDVGS LNGTYVNREPVDSAVLANGD EVQIGKFRLVFLTGPKQGED DGSTGGP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'X stands for TPO (phosphothreonine)' _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Rv1827 pThr 22' _Entity.Mutation 'The first residue of the sequence was mutated from MET to VAL for cloning reasons' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17280.926 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 16248 1 2 . PRO . 16248 1 3 . LEU . 16248 1 4 . GLY . 16248 1 5 . SER . 16248 1 6 . VAL . 16248 1 7 . THR . 16248 1 8 . ASP . 16248 1 9 . MET . 16248 1 10 . ASN . 16248 1 11 . PRO . 16248 1 12 . ASP . 16248 1 13 . ILE . 16248 1 14 . GLU . 16248 1 15 . LYS . 16248 1 16 . ASP . 16248 1 17 . GLN . 16248 1 18 . THR . 16248 1 19 . SER . 16248 1 20 . ASP . 16248 1 21 . GLU . 16248 1 22 . VAL . 16248 1 23 . THR . 16248 1 24 . VAL . 16248 1 25 . GLU . 16248 1 26 . THR . 16248 1 27 . TPO . 16248 1 28 . SER . 16248 1 29 . VAL . 16248 1 30 . PHE . 16248 1 31 . ARG . 16248 1 32 . ALA . 16248 1 33 . ASP . 16248 1 34 . PHE . 16248 1 35 . LEU . 16248 1 36 . SER . 16248 1 37 . GLU . 16248 1 38 . LEU . 16248 1 39 . ASP . 16248 1 40 . ALA . 16248 1 41 . PRO . 16248 1 42 . ALA . 16248 1 43 . GLN . 16248 1 44 . ALA . 16248 1 45 . GLY . 16248 1 46 . THR . 16248 1 47 . GLU . 16248 1 48 . SER . 16248 1 49 . ALA . 16248 1 50 . VAL . 16248 1 51 . SER . 16248 1 52 . GLY . 16248 1 53 . VAL . 16248 1 54 . GLU . 16248 1 55 . GLY . 16248 1 56 . LEU . 16248 1 57 . PRO . 16248 1 58 . PRO . 16248 1 59 . GLY . 16248 1 60 . SER . 16248 1 61 . ALA . 16248 1 62 . LEU . 16248 1 63 . LEU . 16248 1 64 . VAL . 16248 1 65 . VAL . 16248 1 66 . LYS . 16248 1 67 . ARG . 16248 1 68 . GLY . 16248 1 69 . PRO . 16248 1 70 . ASN . 16248 1 71 . ALA . 16248 1 72 . GLY . 16248 1 73 . SER . 16248 1 74 . ARG . 16248 1 75 . PHE . 16248 1 76 . LEU . 16248 1 77 . LEU . 16248 1 78 . ASP . 16248 1 79 . GLN . 16248 1 80 . ALA . 16248 1 81 . ILE . 16248 1 82 . THR . 16248 1 83 . SER . 16248 1 84 . ALA . 16248 1 85 . GLY . 16248 1 86 . ARG . 16248 1 87 . HIS . 16248 1 88 . PRO . 16248 1 89 . ASP . 16248 1 90 . SER . 16248 1 91 . ASP . 16248 1 92 . ILE . 16248 1 93 . PHE . 16248 1 94 . LEU . 16248 1 95 . ASP . 16248 1 96 . ASP . 16248 1 97 . VAL . 16248 1 98 . THR . 16248 1 99 . VAL . 16248 1 100 . SER . 16248 1 101 . ARG . 16248 1 102 . ARG . 16248 1 103 . HIS . 16248 1 104 . ALA . 16248 1 105 . GLU . 16248 1 106 . PHE . 16248 1 107 . ARG . 16248 1 108 . LEU . 16248 1 109 . GLU . 16248 1 110 . ASN . 16248 1 111 . ASN . 16248 1 112 . GLU . 16248 1 113 . PHE . 16248 1 114 . ASN . 16248 1 115 . VAL . 16248 1 116 . VAL . 16248 1 117 . ASP . 16248 1 118 . VAL . 16248 1 119 . GLY . 16248 1 120 . SER . 16248 1 121 . LEU . 16248 1 122 . ASN . 16248 1 123 . GLY . 16248 1 124 . THR . 16248 1 125 . TYR . 16248 1 126 . VAL . 16248 1 127 . ASN . 16248 1 128 . ARG . 16248 1 129 . GLU . 16248 1 130 . PRO . 16248 1 131 . VAL . 16248 1 132 . ASP . 16248 1 133 . SER . 16248 1 134 . ALA . 16248 1 135 . VAL . 16248 1 136 . LEU . 16248 1 137 . ALA . 16248 1 138 . ASN . 16248 1 139 . GLY . 16248 1 140 . ASP . 16248 1 141 . GLU . 16248 1 142 . VAL . 16248 1 143 . GLN . 16248 1 144 . ILE . 16248 1 145 . GLY . 16248 1 146 . LYS . 16248 1 147 . PHE . 16248 1 148 . ARG . 16248 1 149 . LEU . 16248 1 150 . VAL . 16248 1 151 . PHE . 16248 1 152 . LEU . 16248 1 153 . THR . 16248 1 154 . GLY . 16248 1 155 . PRO . 16248 1 156 . LYS . 16248 1 157 . GLN . 16248 1 158 . GLY . 16248 1 159 . GLU . 16248 1 160 . ASP . 16248 1 161 . ASP . 16248 1 162 . GLY . 16248 1 163 . SER . 16248 1 164 . THR . 16248 1 165 . GLY . 16248 1 166 . GLY . 16248 1 167 . PRO . 16248 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 . GLY 1 1 16248 1 . PRO 2 2 16248 1 . LEU 3 3 16248 1 . GLY 4 4 16248 1 . SER 5 5 16248 1 . VAL 6 6 16248 1 . THR 7 7 16248 1 . ASP 8 8 16248 1 . MET 9 9 16248 1 . ASN 10 10 16248 1 . PRO 11 11 16248 1 . ASP 12 12 16248 1 . ILE 13 13 16248 1 . GLU 14 14 16248 1 . LYS 15 15 16248 1 . ASP 16 16 16248 1 . GLN 17 17 16248 1 . THR 18 18 16248 1 . SER 19 19 16248 1 . ASP 20 20 16248 1 . GLU 21 21 16248 1 . VAL 22 22 16248 1 . THR 23 23 16248 1 . VAL 24 24 16248 1 . GLU 25 25 16248 1 . THR 26 26 16248 1 . TPO 27 27 16248 1 . SER 28 28 16248 1 . VAL 29 29 16248 1 . PHE 30 30 16248 1 . ARG 31 31 16248 1 . ALA 32 32 16248 1 . ASP 33 33 16248 1 . PHE 34 34 16248 1 . LEU 35 35 16248 1 . SER 36 36 16248 1 . GLU 37 37 16248 1 . LEU 38 38 16248 1 . ASP 39 39 16248 1 . ALA 40 40 16248 1 . PRO 41 41 16248 1 . ALA 42 42 16248 1 . GLN 43 43 16248 1 . ALA 44 44 16248 1 . GLY 45 45 16248 1 . THR 46 46 16248 1 . GLU 47 47 16248 1 . SER 48 48 16248 1 . ALA 49 49 16248 1 . VAL 50 50 16248 1 . SER 51 51 16248 1 . GLY 52 52 16248 1 . VAL 53 53 16248 1 . GLU 54 54 16248 1 . GLY 55 55 16248 1 . LEU 56 56 16248 1 . PRO 57 57 16248 1 . PRO 58 58 16248 1 . GLY 59 59 16248 1 . SER 60 60 16248 1 . ALA 61 61 16248 1 . LEU 62 62 16248 1 . LEU 63 63 16248 1 . VAL 64 64 16248 1 . VAL 65 65 16248 1 . LYS 66 66 16248 1 . ARG 67 67 16248 1 . GLY 68 68 16248 1 . PRO 69 69 16248 1 . ASN 70 70 16248 1 . ALA 71 71 16248 1 . GLY 72 72 16248 1 . SER 73 73 16248 1 . ARG 74 74 16248 1 . PHE 75 75 16248 1 . LEU 76 76 16248 1 . LEU 77 77 16248 1 . ASP 78 78 16248 1 . GLN 79 79 16248 1 . ALA 80 80 16248 1 . ILE 81 81 16248 1 . THR 82 82 16248 1 . SER 83 83 16248 1 . ALA 84 84 16248 1 . GLY 85 85 16248 1 . ARG 86 86 16248 1 . HIS 87 87 16248 1 . PRO 88 88 16248 1 . ASP 89 89 16248 1 . SER 90 90 16248 1 . ASP 91 91 16248 1 . ILE 92 92 16248 1 . PHE 93 93 16248 1 . LEU 94 94 16248 1 . ASP 95 95 16248 1 . ASP 96 96 16248 1 . VAL 97 97 16248 1 . THR 98 98 16248 1 . VAL 99 99 16248 1 . SER 100 100 16248 1 . ARG 101 101 16248 1 . ARG 102 102 16248 1 . HIS 103 103 16248 1 . ALA 104 104 16248 1 . GLU 105 105 16248 1 . PHE 106 106 16248 1 . ARG 107 107 16248 1 . LEU 108 108 16248 1 . GLU 109 109 16248 1 . ASN 110 110 16248 1 . ASN 111 111 16248 1 . GLU 112 112 16248 1 . PHE 113 113 16248 1 . ASN 114 114 16248 1 . VAL 115 115 16248 1 . VAL 116 116 16248 1 . ASP 117 117 16248 1 . VAL 118 118 16248 1 . GLY 119 119 16248 1 . SER 120 120 16248 1 . LEU 121 121 16248 1 . ASN 122 122 16248 1 . GLY 123 123 16248 1 . THR 124 124 16248 1 . TYR 125 125 16248 1 . VAL 126 126 16248 1 . ASN 127 127 16248 1 . ARG 128 128 16248 1 . GLU 129 129 16248 1 . PRO 130 130 16248 1 . VAL 131 131 16248 1 . ASP 132 132 16248 1 . SER 133 133 16248 1 . ALA 134 134 16248 1 . VAL 135 135 16248 1 . LEU 136 136 16248 1 . ALA 137 137 16248 1 . ASN 138 138 16248 1 . GLY 139 139 16248 1 . ASP 140 140 16248 1 . GLU 141 141 16248 1 . VAL 142 142 16248 1 . GLN 143 143 16248 1 . ILE 144 144 16248 1 . GLY 145 145 16248 1 . LYS 146 146 16248 1 . PHE 147 147 16248 1 . ARG 148 148 16248 1 . LEU 149 149 16248 1 . VAL 150 150 16248 1 . PHE 151 151 16248 1 . LEU 152 152 16248 1 . THR 153 153 16248 1 . GLY 154 154 16248 1 . PRO 155 155 16248 1 . LYS 156 156 16248 1 . GLN 157 157 16248 1 . GLY 158 158 16248 1 . GLU 159 159 16248 1 . ASP 160 160 16248 1 . ASP 161 161 16248 1 . GLY 162 162 16248 1 . SER 163 163 16248 1 . THR 164 164 16248 1 . GLY 165 165 16248 1 . GLY 166 166 16248 1 . PRO 167 167 16248 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 16248 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Eubacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . 16248 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 16248 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pGEX-6P1 . . . 16248 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 16248 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-15 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _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 THR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FMO _Chem_comp.Processing_site PDBe _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 Tue Nov 18 20:49:55 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 CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 16248 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 16248 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16248 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 16248 TPO InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1/f/h6,8-9H InChI InChI 1.02b 16248 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 16248 TPO USRGIUJOYOXOQJ-RUFMBQDXDB InChIKey InChI 1.02b 16248 TPO 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 '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16248 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 16248 TPO 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 N . N . . N . . N 0 . . . . no no . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 16248 TPO CA . CA . . C . . S 0 . . . . no no . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 16248 TPO CB . CB . . C . . R 0 . . . . no no . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 16248 TPO CG2 . CG2 . . C . . N 0 . . . . no no . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 16248 TPO OG1 . OG1 . . O . . N 0 . . . . no no . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 16248 TPO P . P . . P . . N 0 . . . . no no . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 16248 TPO O1P . O1P . . O . . N 0 . . . . no no . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 16248 TPO O2P . O2P . . O . . N 0 . . . . no no . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 16248 TPO O3P . O3P . . O . . N 0 . . . . no no . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 16248 TPO C . C . . C . . N 0 . . . . no no . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 16248 TPO O . O . . O . . N 0 . . . . no no . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 16248 TPO OXT . OXT . . O . . N 0 . . . . no yes . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 16248 TPO H . H . . H . . N 0 . . . . no no . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 16248 TPO H2 . H2 . . H . . N 0 . . . . no yes . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 16248 TPO HA . HA . . H . . N 0 . . . . no no . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 16248 TPO HB . HB . . H . . N 0 . . . . no no . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 16248 TPO HG21 . HG21 . . H . . N 0 . . . . no no . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 16248 TPO HG22 . HG22 . . H . . N 0 . . . . no no . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 16248 TPO HG23 . HG23 . . H . . N 0 . . . . no no . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 16248 TPO HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 16248 TPO HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 16248 TPO HXT . HXT . . H . . N 0 . . . . no yes . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 16248 TPO 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 . SING N CA no N 1 . 16248 TPO 2 . SING N H no N 2 . 16248 TPO 3 . SING N H2 no N 3 . 16248 TPO 4 . SING CA CB no N 4 . 16248 TPO 5 . SING CA C no N 5 . 16248 TPO 6 . SING CA HA no N 6 . 16248 TPO 7 . SING CB CG2 no N 7 . 16248 TPO 8 . SING CB OG1 no N 8 . 16248 TPO 9 . SING CB HB no N 9 . 16248 TPO 10 . SING CG2 HG21 no N 10 . 16248 TPO 11 . SING CG2 HG22 no N 11 . 16248 TPO 12 . SING CG2 HG23 no N 12 . 16248 TPO 13 . SING OG1 P no N 13 . 16248 TPO 14 . DOUB P O1P no N 14 . 16248 TPO 15 . SING P O2P no N 15 . 16248 TPO 16 . SING P O3P no N 16 . 16248 TPO 17 . SING O2P HOP2 no N 17 . 16248 TPO 18 . SING O3P HOP3 no N 18 . 16248 TPO 19 . DOUB C O no N 19 . 16248 TPO 20 . SING C OXT no N 20 . 16248 TPO 21 . SING OXT HXT no N 21 . 16248 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16248 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16248 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16248 1 3 'Rv1827 pThr 22' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . . 0.3 1.0 mM . . . . 16248 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16248 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16248 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16248 _Sample.ID 2 _Sample.Name . _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 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16248 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16248 2 3 'Rv1827 pThr 22' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . . 0.3 1.0 mM . . . . 16248 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16248 2 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 16248 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 pH 5.8 . pH 16248 1 pressure 1 . atm 16248 1 temperature 298 . K 16248 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 16248 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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 pH 5.8 . pH 16248 2 pressure 1 . atm 16248 2 temperature 298 . K 16248 2 stop_ save_ ############################ # Computer software used # ############################ save_ARIA_1.2 _Software.Sf_category software _Software.Sf_framecode ARIA_1.2 _Software.Entry_ID 16248 _Software.ID 1 _Software.Type . _Software.Name ARIA_1.2 _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 16248 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 16248 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16248 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16248 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 spectrometer_1 Varian INOVA . 800 . . . 16248 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 16248 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16248 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 16248 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 16248 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16248 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 16248 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_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 16248 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 ; Derived from the file: /dms/home/tnott/ARIA/FHA_PHT_LOOP_NOE/run557/data/15N/15N.ppm and the amino acid numbering of the Rv1827 chemical shifts includes the N-terminal tag (amino acids GPLGS) used for purification of the construct. ; _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 2 '3D HNCACB' . . . 16248 1 5 '3D HNCO' . . . 16248 1 7 '3D HCCH-TOCSY' . . . 16248 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.Ambiguity_set_ID _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 2 2 PRO C C 13 176.982 0.0 . 1 . . . . . 2 PRO C . 16248 1 2 . 1 1 3 3 LEU N N 15 122.457 0.0 . 1 . . . . . 3 LEU N . 16248 1 3 . 1 1 3 3 LEU H H 1 8.482 0.0 . 1 . . . . . 3 LEU H . 16248 1 4 . 1 1 3 3 LEU C C 13 177.883 0.0 . 1 . . . . . 3 LEU C . 16248 1 5 . 1 1 4 4 GLY N N 15 110.018 0.0 . 1 . . . . . 4 GLY N . 16248 1 6 . 1 1 4 4 GLY H H 1 8.364 0.0 . 1 . . . . . 4 GLY H . 16248 1 7 . 1 1 4 4 GLY CA C 13 45.106 0.0 . 1 . . . . . 4 GLY CA . 16248 1 8 . 1 1 4 4 GLY HA2 H 1 3.944 0.0 . 1 . . . . . 4 GLY HA1 . 16248 1 9 . 1 1 4 4 GLY HA3 H 1 3.944 0.0 . 2 . . . . . 4 GLY HA2 . 16248 1 10 . 1 1 4 4 GLY C C 13 174.027 0.0 . 1 . . . . . 4 GLY C . 16248 1 11 . 1 1 5 5 SER N N 15 115.73 0.0 . 1 . . . . . 5 SER N . 16248 1 12 . 1 1 5 5 SER H H 1 8.134 0.0 . 1 . . . . . 5 SER H . 16248 1 13 . 1 1 5 5 SER CA C 13 58.039 0.0 . 1 . . . . . 5 SER CA . 16248 1 14 . 1 1 5 5 SER HA H 1 4.473 0.0 . 1 . . . . . 5 SER HA . 16248 1 15 . 1 1 5 5 SER CB C 13 63.665 0.0 . 1 . . . . . 5 SER CB . 16248 1 16 . 1 1 5 5 SER HB2 H 1 3.814 0.0 . 2 . . . . . 5 SER HB2 . 16248 1 17 . 1 1 5 5 SER HB3 H 1 3.804 0.0 . 2 . . . . . 5 SER HB3 . 16248 1 18 . 1 1 5 5 SER C C 13 174.818 0.0 . 1 . . . . . 5 SER C . 16248 1 19 . 1 1 6 6 VAL N N 15 121.661 0.0 . 1 . . . . . 6 VAL N . 16248 1 20 . 1 1 6 6 VAL H H 1 8.226 0.0 . 1 . . . . . 6 VAL H . 16248 1 21 . 1 1 6 6 VAL CA C 13 61.696 0.0 . 1 . . . . . 6 VAL CA . 16248 1 22 . 1 1 6 6 VAL HA H 1 4.14 0.0 . 1 . . . . . 6 VAL HA . 16248 1 23 . 1 1 6 6 VAL CB C 13 32.447 0.0 . 1 . . . . . 6 VAL CB . 16248 1 24 . 1 1 6 6 VAL HB H 1 2.018 0.0 . 1 . . . . . 6 VAL HB . 16248 1 25 . 1 1 6 6 VAL HG11 H 1 0.83 0.0 . 2 . . . . . 6 VAL HG1 . 16248 1 26 . 1 1 6 6 VAL HG12 H 1 0.83 0.0 . 2 . . . . . 6 VAL HG1 . 16248 1 27 . 1 1 6 6 VAL HG13 H 1 0.83 0.0 . 2 . . . . . 6 VAL HG1 . 16248 1 28 . 1 1 6 6 VAL HG21 H 1 0.83 0.0 . 2 . . . . . 6 VAL HG2 . 16248 1 29 . 1 1 6 6 VAL HG22 H 1 0.83 0.0 . 2 . . . . . 6 VAL HG2 . 16248 1 30 . 1 1 6 6 VAL HG23 H 1 0.83 0.0 . 2 . . . . . 6 VAL HG2 . 16248 1 31 . 1 1 6 6 VAL CG1 C 13 21.476 0.0 . 2 . . . . . 6 VAL CG1 . 16248 1 32 . 1 1 6 6 VAL CG2 C 13 21.476 0.0 . 2 . . . . . 6 VAL CG2 . 16248 1 33 . 1 1 6 6 VAL C C 13 176.479 0.0 . 1 . . . . . 6 VAL C . 16248 1 34 . 1 1 7 7 THR N N 15 116.618 0.0 . 1 . . . . . 7 THR N . 16248 1 35 . 1 1 7 7 THR H H 1 8.096 0.0 . 1 . . . . . 7 THR H . 16248 1 36 . 1 1 7 7 THR CA C 13 61.696 0.0 . 1 . . . . . 7 THR CA . 16248 1 37 . 1 1 7 7 THR HA H 1 4.319 0.0 . 1 . . . . . 7 THR HA . 16248 1 38 . 1 1 7 7 THR CB C 13 69.572 0.0 . 1 . . . . . 7 THR CB . 16248 1 39 . 1 1 7 7 THR HB H 1 4.206 0.0 . 1 . . . . . 7 THR HB . 16248 1 40 . 1 1 7 7 THR HG23 H 1 1.128 0.0 . 1 . . . . . 7 THR HG2 . 16248 1 41 . 1 1 7 7 THR HG21 H 1 1.128 0.0 . 1 . . . . . 7 THR HG2 . 16248 1 42 . 1 1 7 7 THR HG22 H 1 1.128 0.0 . 1 . . . . . 7 THR HG2 . 16248 1 43 . 1 1 7 7 THR CG2 C 13 21.476 0.0 . 1 . . . . . 7 THR CG2 . 16248 1 44 . 1 1 7 7 THR C C 13 174.214 0.0 . 1 . . . . . 7 THR C . 16248 1 45 . 1 1 8 8 ASP N N 15 122.731 0.0 . 1 . . . . . 8 ASP N . 16248 1 46 . 1 1 8 8 ASP H H 1 8.148 0.0 . 1 . . . . . 8 ASP H . 16248 1 47 . 1 1 8 8 ASP CA C 13 54.101 0.0 . 1 . . . . . 8 ASP CA . 16248 1 48 . 1 1 8 8 ASP HA H 1 4.537 0.0 . 1 . . . . . 8 ASP HA . 16248 1 49 . 1 1 8 8 ASP CB C 13 41.167 0.0 . 1 . . . . . 8 ASP CB . 16248 1 50 . 1 1 8 8 ASP HB2 H 1 2.671 0.0 . 2 . . . . . 8 ASP HB2 . 16248 1 51 . 1 1 8 8 ASP HB3 H 1 2.523 0.0 . 2 . . . . . 8 ASP HB3 . 16248 1 52 . 1 1 8 8 ASP C C 13 175.91 0.0 . 1 . . . . . 8 ASP C . 16248 1 53 . 1 1 9 9 MET N N 15 120.264 0.0 . 1 . . . . . 9 MET N . 16248 1 54 . 1 1 9 9 MET H H 1 8.152 0.0 . 1 . . . . . 9 MET H . 16248 1 55 . 1 1 9 9 MET C C 13 175.626 0.0 . 1 . . . . . 9 MET C . 16248 1 56 . 1 1 10 10 ASN N N 15 120.986 0.0 . 1 . . . . . 10 ASN N . 16248 1 57 . 1 1 10 10 ASN H H 1 8.399 0.0 . 1 . . . . . 10 ASN H . 16248 1 58 . 1 1 10 10 ASN CA C 13 51.288 0.0 . 1 . . . . . 10 ASN CA . 16248 1 59 . 1 1 10 10 ASN HA H 1 4.913 0.0 . 1 . . . . . 10 ASN HA . 16248 1 60 . 1 1 10 10 ASN CB C 13 38.917 0.0 . 1 . . . . . 10 ASN CB . 16248 1 61 . 1 1 10 10 ASN HB2 H 1 2.807 0.0 . 2 . . . . . 10 ASN HB2 . 16248 1 62 . 1 1 10 10 ASN HB3 H 1 2.649 0.0 . 2 . . . . . 10 ASN HB3 . 16248 1 63 . 1 1 10 10 ASN C C 13 176.04 0.0 . 1 . . . . . 10 ASN C . 16248 1 64 . 1 1 12 12 ASP N N 15 122.7 0.0 . 1 . . . . . 12 ASP N . 16248 1 65 . 1 1 12 12 ASP H H 1 8.164 0.0 . 1 . . . . . 12 ASP H . 16248 1 66 . 1 1 12 12 ASP CA C 13 54.510 0.0 . 1 . . . . . 12 ASP CA . 16248 1 67 . 1 1 12 12 ASP HA H 1 4.58 0.0 . 1 . . . . . 12 ASP HA . 16248 1 68 . 1 1 12 12 ASP CB C 13 41.167 0.0 . 1 . . . . . 12 ASP CB . 16248 1 69 . 1 1 12 12 ASP HB2 H 1 2.667 0.0 . 2 . . . . . 12 ASP HB2 . 16248 1 70 . 1 1 12 12 ASP HB3 H 1 2.612 0.0 . 2 . . . . . 12 ASP HB3 . 16248 1 71 . 1 1 13 13 ILE N N 15 120.029 0.0 . 1 . . . . . 13 ILE N . 16248 1 72 . 1 1 13 13 ILE H H 1 7.721 0.0 . 1 . . . . . 13 ILE H . 16248 1 73 . 1 1 13 13 ILE CA C 13 61.415 0.0 . 1 . . . . . 13 ILE CA . 16248 1 74 . 1 1 13 13 ILE HA H 1 4.1 0.0 . 1 . . . . . 13 ILE HA . 16248 1 75 . 1 1 13 13 ILE CB C 13 38.749 0.0 . 1 . . . . . 13 ILE CB . 16248 1 76 . 1 1 13 13 ILE HB H 1 1.833 0.0 . 1 . . . . . 13 ILE HB . 16248 1 77 . 1 1 13 13 ILE HG22 H 1 0.856 0.0 . 1 . . . . . 13 ILE HG2 . 16248 1 78 . 1 1 13 13 ILE HG21 H 1 0.856 0.0 . 1 . . . . . 13 ILE HG2 . 16248 1 79 . 1 1 13 13 ILE HG23 H 1 0.856 0.0 . 1 . . . . . 13 ILE HG2 . 16248 1 80 . 1 1 13 13 ILE CG2 C 13 13.037 0.0 . 1 . . . . . 13 ILE CG2 . 16248 1 81 . 1 1 13 13 ILE CG1 C 13 27.024 0.0 . 1 . . . . . 13 ILE CG1 . 16248 1 82 . 1 1 13 13 ILE HG12 H 1 1.377 0.0 . 2 . . . . . 13 ILE HG12 . 16248 1 83 . 1 1 13 13 ILE HG13 H 1 1.163 0.0 . 2 . . . . . 13 ILE HG13 . 16248 1 84 . 1 1 13 13 ILE HD13 H 1 0.856 0.0 . 1 . . . . . 13 ILE HD1 . 16248 1 85 . 1 1 13 13 ILE HD11 H 1 0.856 0.0 . 1 . . . . . 13 ILE HD1 . 16248 1 86 . 1 1 13 13 ILE HD12 H 1 0.856 0.0 . 1 . . . . . 13 ILE HD1 . 16248 1 87 . 1 1 13 13 ILE CD1 C 13 17.644 0.0 . 1 . . . . . 13 ILE CD1 . 16248 1 88 . 1 1 13 13 ILE C C 13 176.251 0.0 . 1 . . . . . 13 ILE C . 16248 1 89 . 1 1 14 14 GLU N N 15 124.266 0.0 . 1 . . . . . 14 GLU N . 16248 1 90 . 1 1 14 14 GLU H H 1 8.311 0.0 . 1 . . . . . 14 GLU H . 16248 1 91 . 1 1 14 14 GLU CA C 13 56.351 0.0 . 1 . . . . . 14 GLU CA . 16248 1 92 . 1 1 14 14 GLU HA H 1 4.238 0.0 . 1 . . . . . 14 GLU HA . 16248 1 93 . 1 1 14 14 GLU CB C 13 29.955 0.0 . 1 . . . . . 14 GLU CB . 16248 1 94 . 1 1 14 14 GLU HB2 H 1 1.987 0.0 . 2 . . . . . 14 GLU HB2 . 16248 1 95 . 1 1 14 14 GLU HB3 H 1 1.937 0.0 . 2 . . . . . 14 GLU HB3 . 16248 1 96 . 1 1 14 14 GLU CG C 13 36.104 0.0 . 1 . . . . . 14 GLU CG . 16248 1 97 . 1 1 14 14 GLU HG2 H 1 2.205 0.0 . 2 . . . . . 14 GLU HG2 . 16248 1 98 . 1 1 14 14 GLU HG3 H 1 2.205 0.0 . 2 . . . . . 14 GLU HG3 . 16248 1 99 . 1 1 14 14 GLU C C 13 176.203 0.0 . 1 . . . . . 14 GLU C . 16248 1 100 . 1 1 15 15 LYS N N 15 122.307 0.0 . 1 . . . . . 15 LYS N . 16248 1 101 . 1 1 15 15 LYS H H 1 8.149 0.0 . 1 . . . . . 15 LYS H . 16248 1 102 . 1 1 15 15 LYS CA C 13 56.329 0.0 . 1 . . . . . 15 LYS CA . 16248 1 103 . 1 1 15 15 LYS CB C 13 32.886 0.0 . 1 . . . . . 15 LYS CB . 16248 1 104 . 1 1 15 15 LYS HB2 H 1 1.785 0.0 . 2 . . . . . 15 LYS HB2 . 16248 1 105 . 1 1 15 15 LYS HB3 H 1 1.706 0.0 . 2 . . . . . 15 LYS HB3 . 16248 1 106 . 1 1 15 15 LYS CG C 13 24.852 0.0 . 1 . . . . . 15 LYS CG . 16248 1 107 . 1 1 15 15 LYS HG2 H 1 1.5 0.0 . 2 . . . . . 15 LYS HG2 . 16248 1 108 . 1 1 15 15 LYS HG3 H 1 1.451 0.0 . 2 . . . . . 15 LYS HG3 . 16248 1 109 . 1 1 15 15 LYS CD C 13 29.072 0.0 . 1 . . . . . 15 LYS CD . 16248 1 110 . 1 1 15 15 LYS HD2 H 1 1.658 0.0 . 2 . . . . . 15 LYS HD2 . 16248 1 111 . 1 1 15 15 LYS HD3 H 1 1.658 0.0 . 2 . . . . . 15 LYS HD3 . 16248 1 112 . 1 1 15 15 LYS CE C 13 42.011 0.0 . 1 . . . . . 15 LYS CE . 16248 1 113 . 1 1 15 15 LYS HE2 H 1 3.009 0.0 . 2 . . . . . 15 LYS HE2 . 16248 1 114 . 1 1 15 15 LYS HE3 H 1 3.009 0.0 . 2 . . . . . 15 LYS HE3 . 16248 1 115 . 1 1 15 15 LYS C C 13 176.284 0.0 . 1 . . . . . 15 LYS C . 16248 1 116 . 1 1 16 16 ASP N N 15 121.564 0.0 . 1 . . . . . 16 ASP N . 16248 1 117 . 1 1 16 16 ASP H H 1 8.319 0.0 . 1 . . . . . 16 ASP H . 16248 1 118 . 1 1 16 16 ASP CA C 13 54.382 0.0 . 1 . . . . . 16 ASP CA . 16248 1 119 . 1 1 16 16 ASP HA H 1 4.526 0.0 . 1 . . . . . 16 ASP HA . 16248 1 120 . 1 1 16 16 ASP CB C 13 41.167 0.0 . 1 . . . . . 16 ASP CB . 16248 1 121 . 1 1 16 16 ASP HB2 H 1 2.741 0.0 . 2 . . . . . 16 ASP HB2 . 16248 1 122 . 1 1 16 16 ASP HB3 H 1 2.741 0.0 . 2 . . . . . 16 ASP HB3 . 16248 1 123 . 1 1 16 16 ASP C C 13 176.219 0.0 . 1 . . . . . 16 ASP C . 16248 1 124 . 1 1 17 17 GLN N N 15 121.118 0.0 . 1 . . . . . 17 GLN N . 16248 1 125 . 1 1 17 17 GLN H H 1 8.334 0.0 . 1 . . . . . 17 GLN H . 16248 1 126 . 1 1 17 17 GLN CA C 13 55.507 0.0 . 1 . . . . . 17 GLN CA . 16248 1 127 . 1 1 17 17 GLN HA H 1 4.383 0.0 . 1 . . . . . 17 GLN HA . 16248 1 128 . 1 1 17 17 GLN CB C 13 29.353 0.0 . 1 . . . . . 17 GLN CB . 16248 1 129 . 1 1 17 17 GLN HB2 H 1 2.128 0.0 . 2 . . . . . 17 GLN HB2 . 16248 1 130 . 1 1 17 17 GLN HB3 H 1 1.94 0.0 . 2 . . . . . 17 GLN HB3 . 16248 1 131 . 1 1 17 17 GLN CG C 13 33.854 0.0 . 1 . . . . . 17 GLN CG . 16248 1 132 . 1 1 17 17 GLN HG2 H 1 2.328 0.0 . 2 . . . . . 17 GLN HG2 . 16248 1 133 . 1 1 17 17 GLN HG3 H 1 2.328 0.0 . 2 . . . . . 17 GLN HG3 . 16248 1 134 . 1 1 17 17 GLN C C 13 176.284 0.0 . 1 . . . . . 17 GLN C . 16248 1 135 . 1 1 18 18 THR N N 15 115.284 0.0 . 1 . . . . . 18 THR N . 16248 1 136 . 1 1 18 18 THR H H 1 8.263 0.0 . 1 . . . . . 18 THR H . 16248 1 137 . 1 1 18 18 THR CA C 13 61.696 0.0 . 1 . . . . . 18 THR CA . 16248 1 138 . 1 1 18 18 THR HA H 1 4.362 0.0 . 1 . . . . . 18 THR HA . 16248 1 139 . 1 1 18 18 THR CB C 13 69.572 0.0 . 1 . . . . . 18 THR CB . 16248 1 140 . 1 1 18 18 THR HB H 1 4.266 0.0 . 1 . . . . . 18 THR HB . 16248 1 141 . 1 1 18 18 THR HG22 H 1 1.149 0.0 . 1 . . . . . 18 THR HG2 . 16248 1 142 . 1 1 18 18 THR HG21 H 1 1.149 0.0 . 1 . . . . . 18 THR HG2 . 16248 1 143 . 1 1 18 18 THR HG23 H 1 1.149 0.0 . 1 . . . . . 18 THR HG2 . 16248 1 144 . 1 1 18 18 THR CG2 C 13 21.476 0.0 . 1 . . . . . 18 THR CG2 . 16248 1 145 . 1 1 18 18 THR C C 13 174.677 0.0 . 1 . . . . . 18 THR C . 16248 1 146 . 1 1 19 19 SER N N 15 117.969 0.0 . 1 . . . . . 19 SER N . 16248 1 147 . 1 1 19 19 SER H H 1 8.29 0.0 . 1 . . . . . 19 SER H . 16248 1 148 . 1 1 19 19 SER CA C 13 58.039 0.0 . 1 . . . . . 19 SER CA . 16248 1 149 . 1 1 19 19 SER HA H 1 4.43 0.0 . 1 . . . . . 19 SER HA . 16248 1 150 . 1 1 19 19 SER CB C 13 63.665 0.0 . 1 . . . . . 19 SER CB . 16248 1 151 . 1 1 19 19 SER HB2 H 1 3.891 0.0 . 2 . . . . . 19 SER HB2 . 16248 1 152 . 1 1 19 19 SER HB3 H 1 3.81 0.0 . 2 . . . . . 19 SER HB3 . 16248 1 153 . 1 1 19 19 SER C C 13 174.877 0.0 . 1 . . . . . 19 SER C . 16248 1 154 . 1 1 20 20 ASP N N 15 122.693 0.0 . 1 . . . . . 20 ASP N . 16248 1 155 . 1 1 20 20 ASP H H 1 8.314 0.0 . 1 . . . . . 20 ASP H . 16248 1 156 . 1 1 20 20 ASP CA C 13 53.819 0.0 . 1 . . . . . 20 ASP CA . 16248 1 157 . 1 1 20 20 ASP HA H 1 4.594 0.0 . 1 . . . . . 20 ASP HA . 16248 1 158 . 1 1 20 20 ASP CB C 13 40.886 0.0 . 1 . . . . . 20 ASP CB . 16248 1 159 . 1 1 20 20 ASP HB2 H 1 2.676 0.0 . 2 . . . . . 20 ASP HB2 . 16248 1 160 . 1 1 20 20 ASP HB3 H 1 2.589 0.0 . 2 . . . . . 20 ASP HB3 . 16248 1 161 . 1 1 20 20 ASP C C 13 176.176 0.0 . 1 . . . . . 20 ASP C . 16248 1 162 . 1 1 21 21 GLU N N 15 121.056 0.0 . 1 . . . . . 21 GLU N . 16248 1 163 . 1 1 21 21 GLU H H 1 8.227 0.0 . 1 . . . . . 21 GLU H . 16248 1 164 . 1 1 21 21 GLU CA C 13 56.351 0.0 . 1 . . . . . 21 GLU CA . 16248 1 165 . 1 1 21 21 GLU HA H 1 4.255 0.0 . 1 . . . . . 21 GLU HA . 16248 1 166 . 1 1 21 21 GLU CB C 13 30.197 0.0 . 1 . . . . . 21 GLU CB . 16248 1 167 . 1 1 21 21 GLU HB2 H 1 1.992 0.0 . 2 . . . . . 21 GLU HB2 . 16248 1 168 . 1 1 21 21 GLU HB3 H 1 1.883 0.0 . 2 . . . . . 21 GLU HB3 . 16248 1 169 . 1 1 21 21 GLU CG C 13 36.104 0.0 . 1 . . . . . 21 GLU CG . 16248 1 170 . 1 1 21 21 GLU HG2 H 1 2.224 0.0 . 2 . . . . . 21 GLU HG2 . 16248 1 171 . 1 1 21 21 GLU HG3 H 1 2.206 0.0 . 2 . . . . . 21 GLU HG3 . 16248 1 172 . 1 1 21 21 GLU C C 13 176.376 0.0 . 1 . . . . . 21 GLU C . 16248 1 173 . 1 1 22 22 VAL N N 15 121.837 0.0 . 1 . . . . . 22 VAL N . 16248 1 174 . 1 1 22 22 VAL H H 1 8.15 0.0 . 1 . . . . . 22 VAL H . 16248 1 175 . 1 1 22 22 VAL CA C 13 61.696 0.0 . 1 . . . . . 22 VAL CA . 16248 1 176 . 1 1 22 22 VAL HA H 1 4.134 0.0 . 1 . . . . . 22 VAL HA . 16248 1 177 . 1 1 22 22 VAL CB C 13 33.01 0.0 . 1 . . . . . 22 VAL CB . 16248 1 178 . 1 1 22 22 VAL HB H 1 1.996 0.0 . 1 . . . . . 22 VAL HB . 16248 1 179 . 1 1 22 22 VAL HG11 H 1 0.894 0.0 . 2 . . . . . 22 VAL HG1 . 16248 1 180 . 1 1 22 22 VAL HG12 H 1 0.894 0.0 . 2 . . . . . 22 VAL HG1 . 16248 1 181 . 1 1 22 22 VAL HG13 H 1 0.894 0.0 . 2 . . . . . 22 VAL HG1 . 16248 1 182 . 1 1 22 22 VAL HG21 H 1 0.894 0.0 . 2 . . . . . 22 VAL HG2 . 16248 1 183 . 1 1 22 22 VAL HG22 H 1 0.894 0.0 . 2 . . . . . 22 VAL HG2 . 16248 1 184 . 1 1 22 22 VAL HG23 H 1 0.894 0.0 . 2 . . . . . 22 VAL HG2 . 16248 1 185 . 1 1 22 22 VAL CG1 C 13 21.476 0.0 . 2 . . . . . 22 VAL CG1 . 16248 1 186 . 1 1 22 22 VAL CG2 C 13 21.476 0.0 . 2 . . . . . 22 VAL CG2 . 16248 1 187 . 1 1 22 22 VAL C C 13 176.316 0.0 . 1 . . . . . 22 VAL C . 16248 1 188 . 1 1 23 23 THR N N 15 119.502 0.0 . 1 . . . . . 23 THR N . 16248 1 189 . 1 1 23 23 THR H H 1 8.294 0.0 . 1 . . . . . 23 THR H . 16248 1 190 . 1 1 23 23 THR CA C 13 61.696 0.0 . 1 . . . . . 23 THR CA . 16248 1 191 . 1 1 23 23 THR HA H 1 4.32 0.0 . 1 . . . . . 23 THR HA . 16248 1 192 . 1 1 23 23 THR CB C 13 69.572 0.0 . 1 . . . . . 23 THR CB . 16248 1 193 . 1 1 23 23 THR HB H 1 4.11 0.0 . 1 . . . . . 23 THR HB . 16248 1 194 . 1 1 23 23 THR HG21 H 1 1.143 0.0 . 1 . . . . . 23 THR HG2 . 16248 1 195 . 1 1 23 23 THR HG22 H 1 1.143 0.0 . 1 . . . . . 23 THR HG2 . 16248 1 196 . 1 1 23 23 THR HG23 H 1 1.143 0.0 . 1 . . . . . 23 THR HG2 . 16248 1 197 . 1 1 23 23 THR CG2 C 13 21.476 0.0 . 1 . . . . . 23 THR CG2 . 16248 1 198 . 1 1 23 23 THR C C 13 174.311 0.0 . 1 . . . . . 23 THR C . 16248 1 199 . 1 1 24 24 VAL N N 15 123.124 0.0 . 1 . . . . . 24 VAL N . 16248 1 200 . 1 1 24 24 VAL H H 1 8.16 0.0 . 1 . . . . . 24 VAL H . 16248 1 201 . 1 1 24 24 VAL CA C 13 61.696 0.0 . 1 . . . . . 24 VAL CA . 16248 1 202 . 1 1 24 24 VAL HA H 1 4.127 0.0 . 1 . . . . . 24 VAL HA . 16248 1 203 . 1 1 24 24 VAL CB C 13 33.01 0.0 . 1 . . . . . 24 VAL CB . 16248 1 204 . 1 1 24 24 VAL HB H 1 2.029 0.0 . 1 . . . . . 24 VAL HB . 16248 1 205 . 1 1 24 24 VAL HG11 H 1 0.885 0.0 . 2 . . . . . 24 VAL HG1 . 16248 1 206 . 1 1 24 24 VAL HG12 H 1 0.885 0.0 . 2 . . . . . 24 VAL HG1 . 16248 1 207 . 1 1 24 24 VAL HG13 H 1 0.885 0.0 . 2 . . . . . 24 VAL HG1 . 16248 1 208 . 1 1 24 24 VAL HG21 H 1 0.885 0.0 . 2 . . . . . 24 VAL HG2 . 16248 1 209 . 1 1 24 24 VAL HG22 H 1 0.885 0.0 . 2 . . . . . 24 VAL HG2 . 16248 1 210 . 1 1 24 24 VAL HG23 H 1 0.885 0.0 . 2 . . . . . 24 VAL HG2 . 16248 1 211 . 1 1 24 24 VAL CG1 C 13 21.476 0.0 . 2 . . . . . 24 VAL CG1 . 16248 1 212 . 1 1 24 24 VAL CG2 C 13 21.476 0.0 . 2 . . . . . 24 VAL CG2 . 16248 1 213 . 1 1 24 24 VAL C C 13 175.732 0.0 . 1 . . . . . 24 VAL C . 16248 1 214 . 1 1 25 25 GLU N N 15 124.394 0.0 . 1 . . . . . 25 GLU N . 16248 1 215 . 1 1 25 25 GLU H H 1 8.493 0.0 . 1 . . . . . 25 GLU H . 16248 1 216 . 1 1 25 25 GLU C C 13 176.576 0.0 . 1 . . . . . 25 GLU C . 16248 1 217 . 1 1 26 26 THR N N 15 117.718 0.0 . 1 . . . . . 26 THR N . 16248 1 218 . 1 1 26 26 THR H H 1 8.042 0.0 . 1 . . . . . 26 THR H . 16248 1 219 . 1 1 26 26 THR CA C 13 62.785 0.0 . 1 . . . . . 26 THR CA . 16248 1 220 . 1 1 26 26 THR HA H 1 4.062 0.0 . 1 . . . . . 26 THR HA . 16248 1 221 . 1 1 26 26 THR CB C 13 69.234 0.0 . 1 . . . . . 26 THR CB . 16248 1 222 . 1 1 26 26 THR HB H 1 4.038 0.0 . 1 . . . . . 26 THR HB . 16248 1 223 . 1 1 26 26 THR HG22 H 1 1.337 0.0 . 1 . . . . . 26 THR HG2 . 16248 1 224 . 1 1 26 26 THR HG23 H 1 1.337 0.0 . 1 . . . . . 26 THR HG2 . 16248 1 225 . 1 1 26 26 THR HG21 H 1 1.337 0.0 . 1 . . . . . 26 THR HG2 . 16248 1 226 . 1 1 26 26 THR CG2 C 13 22.334 0.0 . 1 . . . . . 26 THR CG2 . 16248 1 227 . 1 1 26 26 THR C C 13 172.891 0.0 . 1 . . . . . 26 THR C . 16248 1 228 . 1 1 27 27 TPO N N 15 124.552 0.0 . 1 . . . . . 27 TPO N . 16248 1 229 . 1 1 27 27 TPO H H 1 9.772 0.0 . 1 . . . . . 27 TPO H . 16248 1 230 . 1 1 27 27 TPO CA C 13 63.371 0.0 . 1 . . . . . 27 TPO CA . 16248 1 231 . 1 1 27 27 TPO HA H 1 4.302 0.0 . 1 . . . . . 27 TPO HA . 16248 1 232 . 1 1 27 27 TPO CB C 13 72.165 0.0 . 1 . . . . . 27 TPO CB . 16248 1 233 . 1 1 27 27 TPO HB H 1 4.25 0.0 . 1 . . . . . 27 TPO HB . 16248 1 234 . 1 1 27 27 TPO HG21 H 1 1.403 0.0 . 1 . . . . . 27 TPO HG2 . 16248 1 235 . 1 1 27 27 TPO HG22 H 1 1.403 0.0 . 1 . . . . . 27 TPO HG2 . 16248 1 236 . 1 1 27 27 TPO HG23 H 1 1.403 0.0 . 1 . . . . . 27 TPO HG2 . 16248 1 237 . 1 1 27 27 TPO CG2 C 13 21.747 0.0 . 1 . . . . . 27 TPO CG2 . 16248 1 238 . 1 1 27 27 TPO C C 13 173.451 0.0 . 1 . . . . . 27 TPO C . 16248 1 239 . 1 1 28 28 SER N N 15 122.189 0.0 . 1 . . . . . 28 SER N . 16248 1 240 . 1 1 28 28 SER H H 1 8.357 0.0 . 1 . . . . . 28 SER H . 16248 1 241 . 1 1 28 28 SER CA C 13 57.509 0.0 . 1 . . . . . 28 SER CA . 16248 1 242 . 1 1 28 28 SER HA H 1 4.531 0.0 . 1 . . . . . 28 SER HA . 16248 1 243 . 1 1 28 28 SER CB C 13 65.13 0.0 . 1 . . . . . 28 SER CB . 16248 1 244 . 1 1 28 28 SER HB2 H 1 3.605 0.0 . 2 . . . . . 28 SER HB2 . 16248 1 245 . 1 1 28 28 SER HB3 H 1 3.485 0.0 . 2 . . . . . 28 SER HB3 . 16248 1 246 . 1 1 28 28 SER C C 13 174.068 0.0 . 1 . . . . . 28 SER C . 16248 1 247 . 1 1 29 29 VAL N N 15 124.875 0.0 . 1 . . . . . 29 VAL N . 16248 1 248 . 1 1 29 29 VAL H H 1 8.38 0.0 . 1 . . . . . 29 VAL H . 16248 1 249 . 1 1 29 29 VAL CA C 13 63.371 0.0 . 1 . . . . . 29 VAL CA . 16248 1 250 . 1 1 29 29 VAL HA H 1 4.191 0.0 . 1 . . . . . 29 VAL HA . 16248 1 251 . 1 1 29 29 VAL CB C 13 32.3 0.0 . 1 . . . . . 29 VAL CB . 16248 1 252 . 1 1 29 29 VAL HB H 1 1.944 0.0 . 1 . . . . . 29 VAL HB . 16248 1 253 . 1 1 29 29 VAL HG11 H 1 1.052 0.0 . 2 . . . . . 29 VAL HG1 . 16248 1 254 . 1 1 29 29 VAL HG12 H 1 1.052 0.0 . 2 . . . . . 29 VAL HG1 . 16248 1 255 . 1 1 29 29 VAL HG13 H 1 1.052 0.0 . 2 . . . . . 29 VAL HG1 . 16248 1 256 . 1 1 29 29 VAL HG21 H 1 0.913 0.0 . 2 . . . . . 29 VAL HG2 . 16248 1 257 . 1 1 29 29 VAL HG22 H 1 0.913 0.0 . 2 . . . . . 29 VAL HG2 . 16248 1 258 . 1 1 29 29 VAL HG23 H 1 0.913 0.0 . 2 . . . . . 29 VAL HG2 . 16248 1 259 . 1 1 29 29 VAL CG1 C 13 22.334 0.0 . 2 . . . . . 29 VAL CG1 . 16248 1 260 . 1 1 29 29 VAL CG2 C 13 21.161 0.0 . 2 . . . . . 29 VAL CG2 . 16248 1 261 . 1 1 29 29 VAL C C 13 175.878 0.0 . 1 . . . . . 29 VAL C . 16248 1 262 . 1 1 30 30 PHE N N 15 126.984 0.0 . 1 . . . . . 30 PHE N . 16248 1 263 . 1 1 30 30 PHE H H 1 8.498 0.0 . 1 . . . . . 30 PHE H . 16248 1 264 . 1 1 30 30 PHE CA C 13 57.509 0.0 . 1 . . . . . 30 PHE CA . 16248 1 265 . 1 1 30 30 PHE HA H 1 4.567 0.0 . 1 . . . . . 30 PHE HA . 16248 1 266 . 1 1 30 30 PHE CB C 13 42.266 0.0 . 1 . . . . . 30 PHE CB . 16248 1 267 . 1 1 30 30 PHE HB2 H 1 3.056 0.0 . 2 . . . . . 30 PHE HB2 . 16248 1 268 . 1 1 30 30 PHE HB3 H 1 2.75 0.0 . 2 . . . . . 30 PHE HB3 . 16248 1 269 . 1 1 30 30 PHE CD1 C 13 131.745 0.0 . 3 . . . . . 30 PHE CD1 . 16248 1 270 . 1 1 30 30 PHE HD1 H 1 7.021 0.0 . 3 . . . . . 30 PHE HD1 . 16248 1 271 . 1 1 30 30 PHE CE1 C 13 132.307 0.0 . 3 . . . . . 30 PHE CE1 . 16248 1 272 . 1 1 30 30 PHE HE1 H 1 6.889 0.0 . 3 . . . . . 30 PHE HE1 . 16248 1 273 . 1 1 30 30 PHE CE2 C 13 132.307 0.0 . 3 . . . . . 30 PHE CE2 . 16248 1 274 . 1 1 30 30 PHE HE2 H 1 6.889 0.0 . 3 . . . . . 30 PHE HE2 . 16248 1 275 . 1 1 30 30 PHE CD2 C 13 131.745 0.0 . 3 . . . . . 30 PHE CD2 . 16248 1 276 . 1 1 30 30 PHE HD2 H 1 7.021 0.0 . 3 . . . . . 30 PHE HD2 . 16248 1 277 . 1 1 30 30 PHE C C 13 172.997 0.0 . 1 . . . . . 30 PHE C . 16248 1 278 . 1 1 31 31 ARG N N 15 127.844 0.0 . 1 . . . . . 31 ARG N . 16248 1 279 . 1 1 31 31 ARG H H 1 7.815 0.0 . 1 . . . . . 31 ARG H . 16248 1 280 . 1 1 31 31 ARG CA C 13 58.095 0.0 . 1 . . . . . 31 ARG CA . 16248 1 281 . 1 1 31 31 ARG HA H 1 2.993 0.0 . 1 . . . . . 31 ARG HA . 16248 1 282 . 1 1 31 31 ARG CB C 13 26.77 0.0 . 1 . . . . . 31 ARG CB . 16248 1 283 . 1 1 31 31 ARG HB2 H 1 2.087 0.0 . 2 . . . . . 31 ARG HB2 . 16248 1 284 . 1 1 31 31 ARG HB3 H 1 1.383 0.0 . 2 . . . . . 31 ARG HB3 . 16248 1 285 . 1 1 31 31 ARG CG C 13 27.61 0.0 . 1 . . . . . 31 ARG CG . 16248 1 286 . 1 1 31 31 ARG HG2 H 1 1.215 0.0 . 2 . . . . . 31 ARG HG2 . 16248 1 287 . 1 1 31 31 ARG HG3 H 1 0.882 0.0 . 2 . . . . . 31 ARG HG3 . 16248 1 288 . 1 1 31 31 ARG CD C 13 43.439 0.0 . 1 . . . . . 31 ARG CD . 16248 1 289 . 1 1 31 31 ARG HD2 H 1 2.912 0.0 . 2 . . . . . 31 ARG HD2 . 16248 1 290 . 1 1 31 31 ARG HD3 H 1 2.839 0.0 . 2 . . . . . 31 ARG HD3 . 16248 1 291 . 1 1 31 31 ARG NE N 15 115.926 0.0 . 1 . . . . . 31 ARG NE . 16248 1 292 . 1 1 31 31 ARG HE H 1 7.153 0.0 . 1 . . . . . 31 ARG HE . 16248 1 293 . 1 1 31 31 ARG C C 13 174.198 0.0 . 1 . . . . . 31 ARG C . 16248 1 294 . 1 1 32 32 ALA N N 15 126.56 0.0 . 1 . . . . . 32 ALA N . 16248 1 295 . 1 1 32 32 ALA H H 1 7.841 0.0 . 1 . . . . . 32 ALA H . 16248 1 296 . 1 1 32 32 ALA CA C 13 52.232 0.0 . 1 . . . . . 32 ALA CA . 16248 1 297 . 1 1 32 32 ALA HA H 1 3.479 0.0 . 1 . . . . . 32 ALA HA . 16248 1 298 . 1 1 32 32 ALA HB1 H 1 0.574 0.0 . 1 . . . . . 32 ALA HB . 16248 1 299 . 1 1 32 32 ALA HB2 H 1 0.574 0.0 . 1 . . . . . 32 ALA HB . 16248 1 300 . 1 1 32 32 ALA HB3 H 1 0.574 0.0 . 1 . . . . . 32 ALA HB . 16248 1 301 . 1 1 32 32 ALA CB C 13 18.23 0.0 . 1 . . . . . 32 ALA CB . 16248 1 302 . 1 1 32 32 ALA C C 13 176.52 0.0 . 1 . . . . . 32 ALA C . 16248 1 303 . 1 1 33 33 ASP N N 15 119.784 0.0 . 1 . . . . . 33 ASP N . 16248 1 304 . 1 1 33 33 ASP H H 1 7.924 0.0 . 1 . . . . . 33 ASP H . 16248 1 305 . 1 1 33 33 ASP CA C 13 52.819 0.0 . 1 . . . . . 33 ASP CA . 16248 1 306 . 1 1 33 33 ASP HA H 1 4.368 0.0 . 1 . . . . . 33 ASP HA . 16248 1 307 . 1 1 33 33 ASP CB C 13 40.507 0.0 . 1 . . . . . 33 ASP CB . 16248 1 308 . 1 1 33 33 ASP HB2 H 1 2.57 0.0 . 2 . . . . . 33 ASP HB2 . 16248 1 309 . 1 1 33 33 ASP HB3 H 1 2.414 0.0 . 2 . . . . . 33 ASP HB3 . 16248 1 310 . 1 1 33 33 ASP C C 13 176.6 0.0 . 1 . . . . . 33 ASP C . 16248 1 311 . 1 1 34 34 PHE N N 15 121.013 0.0 . 1 . . . . . 34 PHE N . 16248 1 312 . 1 1 34 34 PHE H H 1 7.966 0.0 . 1 . . . . . 34 PHE H . 16248 1 313 . 1 1 34 34 PHE CA C 13 58.681 0.0 . 1 . . . . . 34 PHE CA . 16248 1 314 . 1 1 34 34 PHE HA H 1 4.418 0.0 . 1 . . . . . 34 PHE HA . 16248 1 315 . 1 1 34 34 PHE CB C 13 38.749 0.0 . 1 . . . . . 34 PHE CB . 16248 1 316 . 1 1 34 34 PHE HB2 H 1 3.092 0.0 . 2 . . . . . 34 PHE HB2 . 16248 1 317 . 1 1 34 34 PHE HB3 H 1 2.81 0.0 . 2 . . . . . 34 PHE HB3 . 16248 1 318 . 1 1 34 34 PHE CD1 C 13 131.745 0.0 . 3 . . . . . 34 PHE CD1 . 16248 1 319 . 1 1 34 34 PHE HD1 H 1 6.996 0.0 . 3 . . . . . 34 PHE HD1 . 16248 1 320 . 1 1 34 34 PHE CE1 C 13 131.745 0.0 . 3 . . . . . 34 PHE CE1 . 16248 1 321 . 1 1 34 34 PHE HE1 H 1 6.909 0.0 . 3 . . . . . 34 PHE HE1 . 16248 1 322 . 1 1 34 34 PHE CZ C 13 129.164 0.0 . 1 . . . . . 34 PHE CZ . 16248 1 323 . 1 1 34 34 PHE HZ H 1 6.454 0.0 . 1 . . . . . 34 PHE HZ . 16248 1 324 . 1 1 34 34 PHE CE2 C 13 131.745 0.0 . 3 . . . . . 34 PHE CE2 . 16248 1 325 . 1 1 34 34 PHE HE2 H 1 6.909 0.0 . 3 . . . . . 34 PHE HE2 . 16248 1 326 . 1 1 34 34 PHE CD2 C 13 131.745 0.0 . 3 . . . . . 34 PHE CD2 . 16248 1 327 . 1 1 34 34 PHE HD2 H 1 6.996 0.0 . 3 . . . . . 34 PHE HD2 . 16248 1 328 . 1 1 34 34 PHE C C 13 176.535 0.0 . 1 . . . . . 34 PHE C . 16248 1 329 . 1 1 35 35 LEU N N 15 120.138 0.0 . 1 . . . . . 35 LEU N . 16248 1 330 . 1 1 35 35 LEU H H 1 7.954 0.0 . 1 . . . . . 35 LEU H . 16248 1 331 . 1 1 35 35 LEU CA C 13 55.164 0.0 . 1 . . . . . 35 LEU CA . 16248 1 332 . 1 1 35 35 LEU HA H 1 4.318 0.0 . 1 . . . . . 35 LEU HA . 16248 1 333 . 1 1 35 35 LEU CB C 13 42.266 0.0 . 1 . . . . . 35 LEU CB . 16248 1 334 . 1 1 35 35 LEU HB2 H 1 1.671 0.0 . 2 . . . . . 35 LEU HB2 . 16248 1 335 . 1 1 35 35 LEU HB3 H 1 1.493 0.0 . 2 . . . . . 35 LEU HB3 . 16248 1 336 . 1 1 35 35 LEU CG C 13 26.437 0.0 . 1 . . . . . 35 LEU CG . 16248 1 337 . 1 1 35 35 LEU HG H 1 1.623 0.0 . 1 . . . . . 35 LEU HG . 16248 1 338 . 1 1 35 35 LEU HD13 H 1 0.89 0.0 . 2 . . . . . 35 LEU HD1 . 16248 1 339 . 1 1 35 35 LEU HD11 H 1 0.89 0.0 . 2 . . . . . 35 LEU HD1 . 16248 1 340 . 1 1 35 35 LEU HD12 H 1 0.89 0.0 . 2 . . . . . 35 LEU HD1 . 16248 1 341 . 1 1 35 35 LEU HD23 H 1 0.86 0.0 . 2 . . . . . 35 LEU HD2 . 16248 1 342 . 1 1 35 35 LEU HD22 H 1 0.86 0.0 . 2 . . . . . 35 LEU HD2 . 16248 1 343 . 1 1 35 35 LEU HD21 H 1 0.86 0.0 . 2 . . . . . 35 LEU HD2 . 16248 1 344 . 1 1 35 35 LEU CD1 C 13 24.092 0.0 . 2 . . . . . 35 LEU CD1 . 16248 1 345 . 1 1 35 35 LEU CD2 C 13 23.506 0.0 . 2 . . . . . 35 LEU CD2 . 16248 1 346 . 1 1 35 35 LEU C C 13 178.11 0.0 . 1 . . . . . 35 LEU C . 16248 1 347 . 1 1 36 36 SER N N 15 114.928 0.0 . 1 . . . . . 36 SER N . 16248 1 348 . 1 1 36 36 SER H H 1 7.858 0.0 . 1 . . . . . 36 SER H . 16248 1 349 . 1 1 36 36 SER CA C 13 59.267 0.0 . 1 . . . . . 36 SER CA . 16248 1 350 . 1 1 36 36 SER HA H 1 4.304 0.0 . 1 . . . . . 36 SER HA . 16248 1 351 . 1 1 36 36 SER CB C 13 63.371 0.0 . 1 . . . . . 36 SER CB . 16248 1 352 . 1 1 36 36 SER HB2 H 1 3.808 0.0 . 2 . . . . . 36 SER HB2 . 16248 1 353 . 1 1 36 36 SER HB3 H 1 3.796 0.0 . 2 . . . . . 36 SER HB3 . 16248 1 354 . 1 1 36 36 SER C C 13 174.985 0.0 . 1 . . . . . 36 SER C . 16248 1 355 . 1 1 37 37 GLU N N 15 121.986 0.0 . 1 . . . . . 37 GLU N . 16248 1 356 . 1 1 37 37 GLU H H 1 8.022 0.0 . 1 . . . . . 37 GLU H . 16248 1 357 . 1 1 37 37 GLU CA C 13 56.336 0.0 . 1 . . . . . 37 GLU CA . 16248 1 358 . 1 1 37 37 GLU HA H 1 4.235 0.0 . 1 . . . . . 37 GLU HA . 16248 1 359 . 1 1 37 37 GLU CB C 13 30.541 0.0 . 1 . . . . . 37 GLU CB . 16248 1 360 . 1 1 37 37 GLU HB2 H 1 2.024 0.0 . 2 . . . . . 37 GLU HB2 . 16248 1 361 . 1 1 37 37 GLU HB3 H 1 1.887 0.0 . 2 . . . . . 37 GLU HB3 . 16248 1 362 . 1 1 37 37 GLU CG C 13 35.817 0.0 . 1 . . . . . 37 GLU CG . 16248 1 363 . 1 1 37 37 GLU HG2 H 1 2.23 0.0 . 2 . . . . . 37 GLU HG2 . 16248 1 364 . 1 1 37 37 GLU HG3 H 1 2.226 0.0 . 2 . . . . . 37 GLU HG3 . 16248 1 365 . 1 1 37 37 GLU C C 13 176.617 0.0 . 1 . . . . . 37 GLU C . 16248 1 366 . 1 1 38 38 LEU N N 15 121.776 0.0 . 1 . . . . . 38 LEU N . 16248 1 367 . 1 1 38 38 LEU H H 1 7.955 0.0 . 1 . . . . . 38 LEU H . 16248 1 368 . 1 1 38 38 LEU CA C 13 55.164 0.0 . 1 . . . . . 38 LEU CA . 16248 1 369 . 1 1 38 38 LEU HA H 1 4.184 0.0 . 1 . . . . . 38 LEU HA . 16248 1 370 . 1 1 38 38 LEU CB C 13 42.266 0.0 . 1 . . . . . 38 LEU CB . 16248 1 371 . 1 1 38 38 LEU HB2 H 1 1.618 0.0 . 2 . . . . . 38 LEU HB2 . 16248 1 372 . 1 1 38 38 LEU HB3 H 1 1.49 0.0 . 2 . . . . . 38 LEU HB3 . 16248 1 373 . 1 1 38 38 LEU CG C 13 26.437 0.0 . 1 . . . . . 38 LEU CG . 16248 1 374 . 1 1 38 38 LEU HG H 1 1.559 0.0 . 1 . . . . . 38 LEU HG . 16248 1 375 . 1 1 38 38 LEU HD12 H 1 0.845 0.0 . 2 . . . . . 38 LEU HD1 . 16248 1 376 . 1 1 38 38 LEU HD13 H 1 0.845 0.0 . 2 . . . . . 38 LEU HD1 . 16248 1 377 . 1 1 38 38 LEU HD11 H 1 0.845 0.0 . 2 . . . . . 38 LEU HD1 . 16248 1 378 . 1 1 38 38 LEU HD23 H 1 0.783 0.0 . 2 . . . . . 38 LEU HD2 . 16248 1 379 . 1 1 38 38 LEU HD22 H 1 0.783 0.0 . 2 . . . . . 38 LEU HD2 . 16248 1 380 . 1 1 38 38 LEU HD21 H 1 0.783 0.0 . 2 . . . . . 38 LEU HD2 . 16248 1 381 . 1 1 38 38 LEU CD1 C 13 24.679 0.0 . 2 . . . . . 38 LEU CD1 . 16248 1 382 . 1 1 38 38 LEU CD2 C 13 23.506 0.0 . 2 . . . . . 38 LEU CD2 . 16248 1 383 . 1 1 38 38 LEU C C 13 177.234 0.0 . 1 . . . . . 38 LEU C . 16248 1 384 . 1 1 39 39 ASP N N 15 119.741 0.0 . 1 . . . . . 39 ASP N . 16248 1 385 . 1 1 39 39 ASP H H 1 8.056 0.0 . 1 . . . . . 39 ASP H . 16248 1 386 . 1 1 39 39 ASP CA C 13 53.991 0.0 . 1 . . . . . 39 ASP CA . 16248 1 387 . 1 1 39 39 ASP HA H 1 4.547 0.0 . 1 . . . . . 39 ASP HA . 16248 1 388 . 1 1 39 39 ASP CB C 13 40.507 0.0 . 1 . . . . . 39 ASP CB . 16248 1 389 . 1 1 39 39 ASP HB2 H 1 2.678 0.0 . 2 . . . . . 39 ASP HB2 . 16248 1 390 . 1 1 39 39 ASP HB3 H 1 2.59 0.0 . 2 . . . . . 39 ASP HB3 . 16248 1 391 . 1 1 39 39 ASP C C 13 175.375 0.0 . 1 . . . . . 39 ASP C . 16248 1 392 . 1 1 40 40 ALA N N 15 124.841 0.0 . 1 . . . . . 40 ALA N . 16248 1 393 . 1 1 40 40 ALA H H 1 7.859 0.0 . 1 . . . . . 40 ALA H . 16248 1 394 . 1 1 40 40 ALA CA C 13 50.474 0.0 . 1 . . . . . 40 ALA CA . 16248 1 395 . 1 1 40 40 ALA HA H 1 4.503 0.0 . 1 . . . . . 40 ALA HA . 16248 1 396 . 1 1 40 40 ALA HB1 H 1 1.306 0.0 . 1 . . . . . 40 ALA HB . 16248 1 397 . 1 1 40 40 ALA HB3 H 1 1.306 0.0 . 1 . . . . . 40 ALA HB . 16248 1 398 . 1 1 40 40 ALA HB2 H 1 1.306 0.0 . 1 . . . . . 40 ALA HB . 16248 1 399 . 1 1 40 40 ALA CB C 13 18.23 0.0 . 1 . . . . . 40 ALA CB . 16248 1 400 . 1 1 40 40 ALA C C 13 175.326 0.0 . 1 . . . . . 40 ALA C . 16248 1 401 . 1 1 41 41 PRO CD C 13 50.474 0.0 . 1 . . . . . 41 PRO CD . 16248 1 402 . 1 1 41 41 PRO CA C 13 63.371 0.0 . 1 . . . . . 41 PRO CA . 16248 1 403 . 1 1 41 41 PRO HA H 1 4.363 0.0 . 1 . . . . . 41 PRO HA . 16248 1 404 . 1 1 41 41 PRO CB C 13 31.714 0.0 . 1 . . . . . 41 PRO CB . 16248 1 405 . 1 1 41 41 PRO HB2 H 1 2.256 0.0 . 2 . . . . . 41 PRO HB2 . 16248 1 406 . 1 1 41 41 PRO HB3 H 1 1.849 0.0 . 2 . . . . . 41 PRO HB3 . 16248 1 407 . 1 1 41 41 PRO CG C 13 27.024 0.0 . 1 . . . . . 41 PRO CG . 16248 1 408 . 1 1 41 41 PRO HG2 H 1 1.961 0.0 . 2 . . . . . 41 PRO HG2 . 16248 1 409 . 1 1 41 41 PRO HG3 H 1 1.957 0.0 . 2 . . . . . 41 PRO HG3 . 16248 1 410 . 1 1 41 41 PRO HD2 H 1 3.732 0.0 . 2 . . . . . 41 PRO HD2 . 16248 1 411 . 1 1 41 41 PRO HD3 H 1 3.575 0.0 . 2 . . . . . 41 PRO HD3 . 16248 1 412 . 1 1 41 41 PRO C C 13 176.82 0.0 . 1 . . . . . 41 PRO C . 16248 1 413 . 1 1 42 42 ALA N N 15 123.924 0.0 . 1 . . . . . 42 ALA N . 16248 1 414 . 1 1 42 42 ALA H H 1 8.351 0.0 . 1 . . . . . 42 ALA H . 16248 1 415 . 1 1 42 42 ALA CA C 13 52.819 0.0 . 1 . . . . . 42 ALA CA . 16248 1 416 . 1 1 42 42 ALA HA H 1 4.288 0.0 . 1 . . . . . 42 ALA HA . 16248 1 417 . 1 1 42 42 ALA HB2 H 1 1.362 0.0 . 1 . . . . . 42 ALA HB . 16248 1 418 . 1 1 42 42 ALA HB1 H 1 1.362 0.0 . 1 . . . . . 42 ALA HB . 16248 1 419 . 1 1 42 42 ALA HB3 H 1 1.362 0.0 . 1 . . . . . 42 ALA HB . 16248 1 420 . 1 1 42 42 ALA CB C 13 18.816 0.0 . 1 . . . . . 42 ALA CB . 16248 1 421 . 1 1 42 42 ALA C C 13 177.858 0.0 . 1 . . . . . 42 ALA C . 16248 1 422 . 1 1 43 43 GLN N N 15 119.428 0.0 . 1 . . . . . 43 GLN N . 16248 1 423 . 1 1 43 43 GLN H H 1 8.262 0.0 . 1 . . . . . 43 GLN H . 16248 1 424 . 1 1 43 43 GLN CA C 13 55.75 0.0 . 1 . . . . . 43 GLN CA . 16248 1 425 . 1 1 43 43 GLN HA H 1 4.276 0.0 . 1 . . . . . 43 GLN HA . 16248 1 426 . 1 1 43 43 GLN CB C 13 29.369 0.0 . 1 . . . . . 43 GLN CB . 16248 1 427 . 1 1 43 43 GLN HB2 H 1 2.056 0.0 . 2 . . . . . 43 GLN HB2 . 16248 1 428 . 1 1 43 43 GLN HB3 H 1 1.941 0.0 . 2 . . . . . 43 GLN HB3 . 16248 1 429 . 1 1 43 43 GLN CG C 13 34.059 0.0 . 1 . . . . . 43 GLN CG . 16248 1 430 . 1 1 43 43 GLN HG2 H 1 2.336 0.0 . 2 . . . . . 43 GLN HG2 . 16248 1 431 . 1 1 43 43 GLN HG3 H 1 2.332 0.0 . 2 . . . . . 43 GLN HG3 . 16248 1 432 . 1 1 43 43 GLN NE2 N 15 112.527 0.0 . 1 . . . . . 43 GLN NE2 . 16248 1 433 . 1 1 43 43 GLN HE21 H 1 7.482 0.0 . 2 . . . . . 43 GLN HE21 . 16248 1 434 . 1 1 43 43 GLN HE22 H 1 6.788 0.0 . 2 . . . . . 43 GLN HE22 . 16248 1 435 . 1 1 43 43 GLN C C 13 175.821 0.0 . 1 . . . . . 43 GLN C . 16248 1 436 . 1 1 44 44 ALA N N 15 125.678 0.0 . 1 . . . . . 44 ALA N . 16248 1 437 . 1 1 44 44 ALA H H 1 8.356 0.0 . 1 . . . . . 44 ALA H . 16248 1 438 . 1 1 44 44 ALA CA C 13 52.819 0.0 . 1 . . . . . 44 ALA CA . 16248 1 439 . 1 1 44 44 ALA HA H 1 4.265 0.0 . 1 . . . . . 44 ALA HA . 16248 1 440 . 1 1 44 44 ALA HB1 H 1 1.34 0.0 . 1 . . . . . 44 ALA HB . 16248 1 441 . 1 1 44 44 ALA HB3 H 1 1.34 0.0 . 1 . . . . . 44 ALA HB . 16248 1 442 . 1 1 44 44 ALA HB2 H 1 1.34 0.0 . 1 . . . . . 44 ALA HB . 16248 1 443 . 1 1 44 44 ALA CB C 13 19.402 0.0 . 1 . . . . . 44 ALA CB . 16248 1 444 . 1 1 44 44 ALA C C 13 178.248 0.0 . 1 . . . . . 44 ALA C . 16248 1 445 . 1 1 45 45 GLY N N 15 108.575 0.0 . 1 . . . . . 45 GLY N . 16248 1 446 . 1 1 45 45 GLY H H 1 8.468 0.0 . 1 . . . . . 45 GLY H . 16248 1 447 . 1 1 45 45 GLY CA C 13 45.197 0.0 . 1 . . . . . 45 GLY CA . 16248 1 448 . 1 1 45 45 GLY HA2 H 1 4.019 0.0 . 1 . . . . . 45 GLY HA1 . 16248 1 449 . 1 1 45 45 GLY HA3 H 1 3.878 0.0 . 2 . . . . . 45 GLY HA2 . 16248 1 450 . 1 1 45 45 GLY C C 13 174.75 0.0 . 1 . . . . . 45 GLY C . 16248 1 451 . 1 1 46 46 THR N N 15 112.79 0.0 . 1 . . . . . 46 THR N . 16248 1 452 . 1 1 46 46 THR H H 1 7.949 0.0 . 1 . . . . . 46 THR H . 16248 1 453 . 1 1 46 46 THR CA C 13 61.612 0.0 . 1 . . . . . 46 THR CA . 16248 1 454 . 1 1 46 46 THR HA H 1 4.315 0.0 . 1 . . . . . 46 THR HA . 16248 1 455 . 1 1 46 46 THR CB C 13 69.82 0.0 . 1 . . . . . 46 THR CB . 16248 1 456 . 1 1 46 46 THR HB H 1 4.113 0.0 . 1 . . . . . 46 THR HB . 16248 1 457 . 1 1 46 46 THR HG22 H 1 1.141 0.0 . 1 . . . . . 46 THR HG2 . 16248 1 458 . 1 1 46 46 THR HG21 H 1 1.141 0.0 . 1 . . . . . 46 THR HG2 . 16248 1 459 . 1 1 46 46 THR HG23 H 1 1.141 0.0 . 1 . . . . . 46 THR HG2 . 16248 1 460 . 1 1 46 46 THR CG2 C 13 21.161 0.0 . 1 . . . . . 46 THR CG2 . 16248 1 461 . 1 1 46 46 THR C C 13 174.945 0.0 . 1 . . . . . 46 THR C . 16248 1 462 . 1 1 47 47 GLU N N 15 123.138 0.0 . 1 . . . . . 47 GLU N . 16248 1 463 . 1 1 47 47 GLU H H 1 8.559 0.0 . 1 . . . . . 47 GLU H . 16248 1 464 . 1 1 47 47 GLU CA C 13 56.336 0.0 . 1 . . . . . 47 GLU CA . 16248 1 465 . 1 1 47 47 GLU HA H 1 4.293 0.0 . 1 . . . . . 47 GLU HA . 16248 1 466 . 1 1 47 47 GLU CB C 13 29.955 0.0 . 1 . . . . . 47 GLU CB . 16248 1 467 . 1 1 47 47 GLU HB2 H 1 2.023 0.0 . 2 . . . . . 47 GLU HB2 . 16248 1 468 . 1 1 47 47 GLU HB3 H 1 1.893 0.0 . 2 . . . . . 47 GLU HB3 . 16248 1 469 . 1 1 47 47 GLU CG C 13 36.404 0.0 . 1 . . . . . 47 GLU CG . 16248 1 470 . 1 1 47 47 GLU HG2 H 1 2.236 0.0 . 2 . . . . . 47 GLU HG2 . 16248 1 471 . 1 1 47 47 GLU HG3 H 1 2.231 0.0 . 2 . . . . . 47 GLU HG3 . 16248 1 472 . 1 1 47 47 GLU C C 13 176.698 0.0 . 1 . . . . . 47 GLU C . 16248 1 473 . 1 1 48 48 SER N N 15 116.704 0.0 . 1 . . . . . 48 SER N . 16248 1 474 . 1 1 48 48 SER H H 1 8.263 0.0 . 1 . . . . . 48 SER H . 16248 1 475 . 1 1 48 48 SER CA C 13 58.681 0.0 . 1 . . . . . 48 SER CA . 16248 1 476 . 1 1 48 48 SER HA H 1 4.368 0.0 . 1 . . . . . 48 SER HA . 16248 1 477 . 1 1 48 48 SER CB C 13 63.957 0.0 . 1 . . . . . 48 SER CB . 16248 1 478 . 1 1 48 48 SER HB2 H 1 3.807 0.0 . 2 . . . . . 48 SER HB2 . 16248 1 479 . 1 1 48 48 SER HB3 H 1 3.805 0.0 . 2 . . . . . 48 SER HB3 . 16248 1 480 . 1 1 48 48 SER C C 13 174.401 0.0 . 1 . . . . . 48 SER C . 16248 1 481 . 1 1 49 49 ALA N N 15 125.804 0.0 . 1 . . . . . 49 ALA N . 16248 1 482 . 1 1 49 49 ALA H H 1 8.212 0.0 . 1 . . . . . 49 ALA H . 16248 1 483 . 1 1 49 49 ALA CA C 13 52.819 0.0 . 1 . . . . . 49 ALA CA . 16248 1 484 . 1 1 49 49 ALA HA H 1 4.298 0.0 . 1 . . . . . 49 ALA HA . 16248 1 485 . 1 1 49 49 ALA HB3 H 1 1.376 0.0 . 1 . . . . . 49 ALA HB . 16248 1 486 . 1 1 49 49 ALA HB1 H 1 1.376 0.0 . 1 . . . . . 49 ALA HB . 16248 1 487 . 1 1 49 49 ALA HB2 H 1 1.376 0.0 . 1 . . . . . 49 ALA HB . 16248 1 488 . 1 1 49 49 ALA CB C 13 19.402 0.0 . 1 . . . . . 49 ALA CB . 16248 1 489 . 1 1 49 49 ALA C C 13 177.712 0.0 . 1 . . . . . 49 ALA C . 16248 1 490 . 1 1 50 50 VAL N N 15 117.914 0.0 . 1 . . . . . 50 VAL N . 16248 1 491 . 1 1 50 50 VAL H H 1 7.941 0.0 . 1 . . . . . 50 VAL H . 16248 1 492 . 1 1 50 50 VAL CA C 13 62.199 0.0 . 1 . . . . . 50 VAL CA . 16248 1 493 . 1 1 50 50 VAL HA H 1 3.985 0.0 . 1 . . . . . 50 VAL HA . 16248 1 494 . 1 1 50 50 VAL CB C 13 32.3 0.0 . 1 . . . . . 50 VAL CB . 16248 1 495 . 1 1 50 50 VAL HB H 1 2.015 0.0 . 1 . . . . . 50 VAL HB . 16248 1 496 . 1 1 50 50 VAL HG11 H 1 0.742 0.0 . 2 . . . . . 50 VAL HG1 . 16248 1 497 . 1 1 50 50 VAL HG12 H 1 0.742 0.0 . 2 . . . . . 50 VAL HG1 . 16248 1 498 . 1 1 50 50 VAL HG13 H 1 0.742 0.0 . 2 . . . . . 50 VAL HG1 . 16248 1 499 . 1 1 50 50 VAL HG21 H 1 0.738 0.0 . 2 . . . . . 50 VAL HG2 . 16248 1 500 . 1 1 50 50 VAL HG22 H 1 0.738 0.0 . 2 . . . . . 50 VAL HG2 . 16248 1 501 . 1 1 50 50 VAL HG23 H 1 0.738 0.0 . 2 . . . . . 50 VAL HG2 . 16248 1 502 . 1 1 50 50 VAL CG1 C 13 21.161 0.0 . 2 . . . . . 50 VAL CG1 . 16248 1 503 . 1 1 50 50 VAL CG2 C 13 21.161 0.0 . 2 . . . . . 50 VAL CG2 . 16248 1 504 . 1 1 50 50 VAL C C 13 176.04 0.0 . 1 . . . . . 50 VAL C . 16248 1 505 . 1 1 51 51 SER N N 15 119.18 0.0 . 1 . . . . . 51 SER N . 16248 1 506 . 1 1 51 51 SER H H 1 8.208 0.0 . 1 . . . . . 51 SER H . 16248 1 507 . 1 1 51 51 SER CA C 13 58.681 0.0 . 1 . . . . . 51 SER CA . 16248 1 508 . 1 1 51 51 SER HA H 1 4.446 0.0 . 1 . . . . . 51 SER HA . 16248 1 509 . 1 1 51 51 SER CB C 13 62.785 0.0 . 1 . . . . . 51 SER CB . 16248 1 510 . 1 1 51 51 SER HB2 H 1 3.855 0.0 . 2 . . . . . 51 SER HB2 . 16248 1 511 . 1 1 51 51 SER HB3 H 1 3.852 0.0 . 2 . . . . . 51 SER HB3 . 16248 1 512 . 1 1 51 51 SER C C 13 174.798 0.0 . 1 . . . . . 51 SER C . 16248 1 513 . 1 1 52 52 GLY N N 15 110.018 0.0 . 1 . . . . . 52 GLY N . 16248 1 514 . 1 1 52 52 GLY H H 1 8.364 0.0 . 1 . . . . . 52 GLY H . 16248 1 515 . 1 1 52 52 GLY CA C 13 45.197 0.0 . 1 . . . . . 52 GLY CA . 16248 1 516 . 1 1 52 52 GLY HA2 H 1 3.951 0.0 . 1 . . . . . 52 GLY HA1 . 16248 1 517 . 1 1 52 52 GLY HA3 H 1 3.95 0.0 . 2 . . . . . 52 GLY HA2 . 16248 1 518 . 1 1 52 52 GLY C C 13 174.523 0.0 . 1 . . . . . 52 GLY C . 16248 1 519 . 1 1 53 53 VAL N N 15 117.231 0.0 . 1 . . . . . 53 VAL N . 16248 1 520 . 1 1 53 53 VAL H H 1 7.817 0.0 . 1 . . . . . 53 VAL H . 16248 1 521 . 1 1 53 53 VAL CA C 13 62.199 0.0 . 1 . . . . . 53 VAL CA . 16248 1 522 . 1 1 53 53 VAL HA H 1 4.09 0.0 . 1 . . . . . 53 VAL HA . 16248 1 523 . 1 1 53 53 VAL CB C 13 32.3 0.0 . 1 . . . . . 53 VAL CB . 16248 1 524 . 1 1 53 53 VAL HB H 1 2.035 0.0 . 1 . . . . . 53 VAL HB . 16248 1 525 . 1 1 53 53 VAL HG11 H 1 0.866 0.0 . 2 . . . . . 53 VAL HG1 . 16248 1 526 . 1 1 53 53 VAL HG12 H 1 0.866 0.0 . 2 . . . . . 53 VAL HG1 . 16248 1 527 . 1 1 53 53 VAL HG13 H 1 0.866 0.0 . 2 . . . . . 53 VAL HG1 . 16248 1 528 . 1 1 53 53 VAL HG21 H 1 0.859 0.0 . 2 . . . . . 53 VAL HG2 . 16248 1 529 . 1 1 53 53 VAL HG22 H 1 0.859 0.0 . 2 . . . . . 53 VAL HG2 . 16248 1 530 . 1 1 53 53 VAL HG23 H 1 0.859 0.0 . 2 . . . . . 53 VAL HG2 . 16248 1 531 . 1 1 53 53 VAL CG1 C 13 21.161 0.0 . 2 . . . . . 53 VAL CG1 . 16248 1 532 . 1 1 53 53 VAL CG2 C 13 21.161 0.0 . 2 . . . . . 53 VAL CG2 . 16248 1 533 . 1 1 53 53 VAL C C 13 175.935 0.0 . 1 . . . . . 53 VAL C . 16248 1 534 . 1 1 54 54 GLU N N 15 122.81 0.0 . 1 . . . . . 54 GLU N . 16248 1 535 . 1 1 54 54 GLU H H 1 8.503 0.0 . 1 . . . . . 54 GLU H . 16248 1 536 . 1 1 54 54 GLU CA C 13 57.509 0.0 . 1 . . . . . 54 GLU CA . 16248 1 537 . 1 1 54 54 GLU HA H 1 4.118 0.0 . 1 . . . . . 54 GLU HA . 16248 1 538 . 1 1 54 54 GLU CB C 13 29.369 0.0 . 1 . . . . . 54 GLU CB . 16248 1 539 . 1 1 54 54 GLU HB2 H 1 1.97 0.0 . 2 . . . . . 54 GLU HB2 . 16248 1 540 . 1 1 54 54 GLU HB3 H 1 1.885 0.0 . 2 . . . . . 54 GLU HB3 . 16248 1 541 . 1 1 54 54 GLU CG C 13 35.817 0.0 . 1 . . . . . 54 GLU CG . 16248 1 542 . 1 1 54 54 GLU HG2 H 1 2.225 0.0 . 2 . . . . . 54 GLU HG2 . 16248 1 543 . 1 1 54 54 GLU HG3 H 1 2.222 0.0 . 2 . . . . . 54 GLU HG3 . 16248 1 544 . 1 1 54 54 GLU C C 13 177.006 0.0 . 1 . . . . . 54 GLU C . 16248 1 545 . 1 1 55 55 GLY N N 15 109.043 0.0 . 1 . . . . . 55 GLY N . 16248 1 546 . 1 1 55 55 GLY H H 1 8.283 0.0 . 1 . . . . . 55 GLY H . 16248 1 547 . 1 1 55 55 GLY CA C 13 45.197 0.0 . 1 . . . . . 55 GLY CA . 16248 1 548 . 1 1 55 55 GLY HA2 H 1 3.938 0.0 . 1 . . . . . 55 GLY HA1 . 16248 1 549 . 1 1 55 55 GLY HA3 H 1 3.937 0.0 . 2 . . . . . 55 GLY HA2 . 16248 1 550 . 1 1 55 55 GLY C C 13 174.328 0.0 . 1 . . . . . 55 GLY C . 16248 1 551 . 1 1 56 56 LEU N N 15 122.901 0.0 . 1 . . . . . 56 LEU N . 16248 1 552 . 1 1 56 56 LEU H H 1 7.563 0.0 . 1 . . . . . 56 LEU H . 16248 1 553 . 1 1 56 56 LEU CA C 13 52.819 0.0 . 1 . . . . . 56 LEU CA . 16248 1 554 . 1 1 56 56 LEU HA H 1 4.424 0.0 . 1 . . . . . 56 LEU HA . 16248 1 555 . 1 1 56 56 LEU CB C 13 41.68 0.0 . 1 . . . . . 56 LEU CB . 16248 1 556 . 1 1 56 56 LEU HB2 H 1 1.451 0.0 . 2 . . . . . 56 LEU HB2 . 16248 1 557 . 1 1 56 56 LEU HB3 H 1 1.375 0.0 . 2 . . . . . 56 LEU HB3 . 16248 1 558 . 1 1 56 56 LEU CG C 13 26.437 0.0 . 1 . . . . . 56 LEU CG . 16248 1 559 . 1 1 56 56 LEU HG H 1 1.507 0.0 . 1 . . . . . 56 LEU HG . 16248 1 560 . 1 1 56 56 LEU HD13 H 1 0.636 0.0 . 2 . . . . . 56 LEU HD1 . 16248 1 561 . 1 1 56 56 LEU HD11 H 1 0.636 0.0 . 2 . . . . . 56 LEU HD1 . 16248 1 562 . 1 1 56 56 LEU HD12 H 1 0.636 0.0 . 2 . . . . . 56 LEU HD1 . 16248 1 563 . 1 1 56 56 LEU HD23 H 1 0.602 0.0 . 2 . . . . . 56 LEU HD2 . 16248 1 564 . 1 1 56 56 LEU HD21 H 1 0.602 0.0 . 2 . . . . . 56 LEU HD2 . 16248 1 565 . 1 1 56 56 LEU HD22 H 1 0.602 0.0 . 2 . . . . . 56 LEU HD2 . 16248 1 566 . 1 1 56 56 LEU CD1 C 13 23.506 0.0 . 2 . . . . . 56 LEU CD1 . 16248 1 567 . 1 1 56 56 LEU CD2 C 13 25.265 0.0 . 2 . . . . . 56 LEU CD2 . 16248 1 568 . 1 1 56 56 LEU C C 13 174.855 0.0 . 1 . . . . . 56 LEU C . 16248 1 569 . 1 1 57 57 PRO CD C 13 44.488 0.0 . 1 . . . . . 57 PRO CD . 16248 1 570 . 1 1 57 57 PRO HD2 H 1 4.177 0.0 . 2 . . . . . 57 PRO HD2 . 16248 1 571 . 1 1 57 57 PRO HD3 H 1 3.743 0.0 . 2 . . . . . 57 PRO HD3 . 16248 1 572 . 1 1 58 58 PRO CD C 13 50.474 0.0 . 1 . . . . . 58 PRO CD . 16248 1 573 . 1 1 58 58 PRO CA C 13 63.957 0.0 . 1 . . . . . 58 PRO CA . 16248 1 574 . 1 1 58 58 PRO HA H 1 4.364 0.0 . 1 . . . . . 58 PRO HA . 16248 1 575 . 1 1 58 58 PRO CB C 13 31.714 0.0 . 1 . . . . . 58 PRO CB . 16248 1 576 . 1 1 58 58 PRO HB2 H 1 2.215 0.0 . 2 . . . . . 58 PRO HB2 . 16248 1 577 . 1 1 58 58 PRO HB3 H 1 1.816 0.0 . 2 . . . . . 58 PRO HB3 . 16248 1 578 . 1 1 58 58 PRO CG C 13 28.196 0.0 . 1 . . . . . 58 PRO CG . 16248 1 579 . 1 1 58 58 PRO HG2 H 1 2.115 0.0 . 2 . . . . . 58 PRO HG2 . 16248 1 580 . 1 1 58 58 PRO HG3 H 1 1.95 0.0 . 2 . . . . . 58 PRO HG3 . 16248 1 581 . 1 1 58 58 PRO HD2 H 1 3.865 0.0 . 2 . . . . . 58 PRO HD2 . 16248 1 582 . 1 1 58 58 PRO HD3 H 1 3.562 0.0 . 2 . . . . . 58 PRO HD3 . 16248 1 583 . 1 1 58 58 PRO C C 13 178.037 0.0 . 1 . . . . . 58 PRO C . 16248 1 584 . 1 1 59 59 GLY N N 15 112.268 0.0 . 1 . . . . . 59 GLY N . 16248 1 585 . 1 1 59 59 GLY H H 1 8.906 0.0 . 1 . . . . . 59 GLY H . 16248 1 586 . 1 1 59 59 GLY CA C 13 45.197 0.0 . 1 . . . . . 59 GLY CA . 16248 1 587 . 1 1 59 59 GLY HA2 H 1 4.145 0.0 . 1 . . . . . 59 GLY HA1 . 16248 1 588 . 1 1 59 59 GLY HA3 H 1 3.737 0.0 . 2 . . . . . 59 GLY HA2 . 16248 1 589 . 1 1 59 59 GLY C C 13 173.613 0.0 . 1 . . . . . 59 GLY C . 16248 1 590 . 1 1 60 60 SER N N 15 113.752 0.0 . 1 . . . . . 60 SER N . 16248 1 591 . 1 1 60 60 SER H H 1 7.579 0.0 . 1 . . . . . 60 SER H . 16248 1 592 . 1 1 60 60 SER CA C 13 57.509 0.0 . 1 . . . . . 60 SER CA . 16248 1 593 . 1 1 60 60 SER HA H 1 5.227 0.0 . 1 . . . . . 60 SER HA . 16248 1 594 . 1 1 60 60 SER CB C 13 66.302 0.0 . 1 . . . . . 60 SER CB . 16248 1 595 . 1 1 60 60 SER HB2 H 1 3.851 0.0 . 2 . . . . . 60 SER HB2 . 16248 1 596 . 1 1 60 60 SER HB3 H 1 3.753 0.0 . 2 . . . . . 60 SER HB3 . 16248 1 597 . 1 1 60 60 SER C C 13 172.842 0.0 . 1 . . . . . 60 SER C . 16248 1 598 . 1 1 61 61 ALA N N 15 122.467 0.0 . 1 . . . . . 61 ALA N . 16248 1 599 . 1 1 61 61 ALA H H 1 8.477 0.0 . 1 . . . . . 61 ALA H . 16248 1 600 . 1 1 61 61 ALA CA C 13 51.646 0.0 . 1 . . . . . 61 ALA CA . 16248 1 601 . 1 1 61 61 ALA HA H 1 4.464 0.0 . 1 . . . . . 61 ALA HA . 16248 1 602 . 1 1 61 61 ALA HB3 H 1 0.592 0.0 . 1 . . . . . 61 ALA HB . 16248 1 603 . 1 1 61 61 ALA HB2 H 1 0.592 0.0 . 1 . . . . . 61 ALA HB . 16248 1 604 . 1 1 61 61 ALA HB1 H 1 0.592 0.0 . 1 . . . . . 61 ALA HB . 16248 1 605 . 1 1 61 61 ALA CB C 13 24.092 0.0 . 1 . . . . . 61 ALA CB . 16248 1 606 . 1 1 61 61 ALA C C 13 173.76 0.0 . 1 . . . . . 61 ALA C . 16248 1 607 . 1 1 62 62 LEU N N 15 119.971 0.0 . 1 . . . . . 62 LEU N . 16248 1 608 . 1 1 62 62 LEU H H 1 8.695 0.0 . 1 . . . . . 62 LEU H . 16248 1 609 . 1 1 62 62 LEU CA C 13 53.405 0.0 . 1 . . . . . 62 LEU CA . 16248 1 610 . 1 1 62 62 LEU HA H 1 4.966 0.0 . 1 . . . . . 62 LEU HA . 16248 1 611 . 1 1 62 62 LEU CB C 13 47.542 0.0 . 1 . . . . . 62 LEU CB . 16248 1 612 . 1 1 62 62 LEU HB2 H 1 1.359 0.0 . 2 . . . . . 62 LEU HB2 . 16248 1 613 . 1 1 62 62 LEU HB3 H 1 1.207 0.0 . 2 . . . . . 62 LEU HB3 . 16248 1 614 . 1 1 62 62 LEU CG C 13 25.265 0.0 . 1 . . . . . 62 LEU CG . 16248 1 615 . 1 1 62 62 LEU HG H 1 0.638 0.0 . 1 . . . . . 62 LEU HG . 16248 1 616 . 1 1 62 62 LEU HD13 H 1 0.628 0.0 . 2 . . . . . 62 LEU HD1 . 16248 1 617 . 1 1 62 62 LEU HD11 H 1 0.628 0.0 . 2 . . . . . 62 LEU HD1 . 16248 1 618 . 1 1 62 62 LEU HD12 H 1 0.628 0.0 . 2 . . . . . 62 LEU HD1 . 16248 1 619 . 1 1 62 62 LEU HD23 H 1 0.619 0.0 . 2 . . . . . 62 LEU HD2 . 16248 1 620 . 1 1 62 62 LEU HD22 H 1 0.619 0.0 . 2 . . . . . 62 LEU HD2 . 16248 1 621 . 1 1 62 62 LEU HD21 H 1 0.619 0.0 . 2 . . . . . 62 LEU HD2 . 16248 1 622 . 1 1 62 62 LEU CD1 C 13 25.265 0.0 . 2 . . . . . 62 LEU CD1 . 16248 1 623 . 1 1 62 62 LEU CD2 C 13 25.265 0.0 . 2 . . . . . 62 LEU CD2 . 16248 1 624 . 1 1 62 62 LEU C C 13 174.676 0.0 . 1 . . . . . 62 LEU C . 16248 1 625 . 1 1 63 63 LEU N N 15 120.336 0.0 . 1 . . . . . 63 LEU N . 16248 1 626 . 1 1 63 63 LEU H H 1 8.597 0.0 . 1 . . . . . 63 LEU H . 16248 1 627 . 1 1 63 63 LEU CA C 13 52.819 0.0 . 1 . . . . . 63 LEU CA . 16248 1 628 . 1 1 63 63 LEU HA H 1 5.441 0.0 . 1 . . . . . 63 LEU HA . 16248 1 629 . 1 1 63 63 LEU CB C 13 45.784 0.0 . 1 . . . . . 63 LEU CB . 16248 1 630 . 1 1 63 63 LEU HB2 H 1 1.632 0.0 . 2 . . . . . 63 LEU HB2 . 16248 1 631 . 1 1 63 63 LEU HB3 H 1 1.194 0.0 . 2 . . . . . 63 LEU HB3 . 16248 1 632 . 1 1 63 63 LEU CG C 13 25.851 0.0 . 1 . . . . . 63 LEU CG . 16248 1 633 . 1 1 63 63 LEU HG H 1 1.299 0.0 . 1 . . . . . 63 LEU HG . 16248 1 634 . 1 1 63 63 LEU HD11 H 1 0.666 0.0 . 2 . . . . . 63 LEU HD1 . 16248 1 635 . 1 1 63 63 LEU HD12 H 1 0.666 0.0 . 2 . . . . . 63 LEU HD1 . 16248 1 636 . 1 1 63 63 LEU HD13 H 1 0.666 0.0 . 2 . . . . . 63 LEU HD1 . 16248 1 637 . 1 1 63 63 LEU HD21 H 1 -0.06 0.0 . 2 . . . . . 63 LEU HD2 . 16248 1 638 . 1 1 63 63 LEU HD23 H 1 -0.06 0.0 . 2 . . . . . 63 LEU HD2 . 16248 1 639 . 1 1 63 63 LEU HD22 H 1 -0.06 0.0 . 2 . . . . . 63 LEU HD2 . 16248 1 640 . 1 1 63 63 LEU CD1 C 13 23.506 0.0 . 2 . . . . . 63 LEU CD1 . 16248 1 641 . 1 1 63 63 LEU CD2 C 13 26.437 0.0 . 2 . . . . . 63 LEU CD2 . 16248 1 642 . 1 1 63 63 LEU C C 13 176.26 0.0 . 1 . . . . . 63 LEU C . 16248 1 643 . 1 1 64 64 VAL N N 15 121.135 0.0 . 1 . . . . . 64 VAL N . 16248 1 644 . 1 1 64 64 VAL H H 1 8.902 0.0 . 1 . . . . . 64 VAL H . 16248 1 645 . 1 1 64 64 VAL CA C 13 59.854 0.0 . 1 . . . . . 64 VAL CA . 16248 1 646 . 1 1 64 64 VAL HA H 1 4.83 0.0 . 1 . . . . . 64 VAL HA . 16248 1 647 . 1 1 64 64 VAL CB C 13 34.645 0.0 . 1 . . . . . 64 VAL CB . 16248 1 648 . 1 1 64 64 VAL HB H 1 1.806 0.0 . 1 . . . . . 64 VAL HB . 16248 1 649 . 1 1 64 64 VAL HG11 H 1 0.758 0.0 . 2 . . . . . 64 VAL HG1 . 16248 1 650 . 1 1 64 64 VAL HG12 H 1 0.758 0.0 . 2 . . . . . 64 VAL HG1 . 16248 1 651 . 1 1 64 64 VAL HG13 H 1 0.758 0.0 . 2 . . . . . 64 VAL HG1 . 16248 1 652 . 1 1 64 64 VAL HG21 H 1 0.743 0.0 . 2 . . . . . 64 VAL HG2 . 16248 1 653 . 1 1 64 64 VAL HG22 H 1 0.743 0.0 . 2 . . . . . 64 VAL HG2 . 16248 1 654 . 1 1 64 64 VAL HG23 H 1 0.743 0.0 . 2 . . . . . 64 VAL HG2 . 16248 1 655 . 1 1 64 64 VAL CG1 C 13 21.747 0.0 . 2 . . . . . 64 VAL CG1 . 16248 1 656 . 1 1 64 64 VAL CG2 C 13 21.747 0.0 . 2 . . . . . 64 VAL CG2 . 16248 1 657 . 1 1 64 64 VAL C C 13 176.544 0.0 . 1 . . . . . 64 VAL C . 16248 1 658 . 1 1 65 65 VAL N N 15 125.495 0.0 . 1 . . . . . 65 VAL N . 16248 1 659 . 1 1 65 65 VAL H H 1 8.771 0.0 . 1 . . . . . 65 VAL H . 16248 1 660 . 1 1 65 65 VAL CA C 13 63.957 0.0 . 1 . . . . . 65 VAL CA . 16248 1 661 . 1 1 65 65 VAL HA H 1 4.118 0.0 . 1 . . . . . 65 VAL HA . 16248 1 662 . 1 1 65 65 VAL CB C 13 31.714 0.0 . 1 . . . . . 65 VAL CB . 16248 1 663 . 1 1 65 65 VAL HB H 1 2.163 0.0 . 1 . . . . . 65 VAL HB . 16248 1 664 . 1 1 65 65 VAL HG11 H 1 0.996 0.0 . 2 . . . . . 65 VAL HG1 . 16248 1 665 . 1 1 65 65 VAL HG12 H 1 0.996 0.0 . 2 . . . . . 65 VAL HG1 . 16248 1 666 . 1 1 65 65 VAL HG13 H 1 0.996 0.0 . 2 . . . . . 65 VAL HG1 . 16248 1 667 . 1 1 65 65 VAL HG21 H 1 0.988 0.0 . 2 . . . . . 65 VAL HG2 . 16248 1 668 . 1 1 65 65 VAL HG22 H 1 0.988 0.0 . 2 . . . . . 65 VAL HG2 . 16248 1 669 . 1 1 65 65 VAL HG23 H 1 0.988 0.0 . 2 . . . . . 65 VAL HG2 . 16248 1 670 . 1 1 65 65 VAL CG1 C 13 21.747 0.0 . 2 . . . . . 65 VAL CG1 . 16248 1 671 . 1 1 65 65 VAL CG2 C 13 21.161 0.0 . 2 . . . . . 65 VAL CG2 . 16248 1 672 . 1 1 65 65 VAL C C 13 175.821 0.0 . 1 . . . . . 65 VAL C . 16248 1 673 . 1 1 66 66 LYS N N 15 132.689 0.0 . 1 . . . . . 66 LYS N . 16248 1 674 . 1 1 66 66 LYS H H 1 9.423 0.0 . 1 . . . . . 66 LYS H . 16248 1 675 . 1 1 66 66 LYS CA C 13 56.922 0.0 . 1 . . . . . 66 LYS CA . 16248 1 676 . 1 1 66 66 LYS HA H 1 4.438 0.0 . 1 . . . . . 66 LYS HA . 16248 1 677 . 1 1 66 66 LYS CB C 13 34.645 0.0 . 1 . . . . . 66 LYS CB . 16248 1 678 . 1 1 66 66 LYS HB2 H 1 1.74 0.0 . 2 . . . . . 66 LYS HB2 . 16248 1 679 . 1 1 66 66 LYS HB3 H 1 1.668 0.0 . 2 . . . . . 66 LYS HB3 . 16248 1 680 . 1 1 66 66 LYS CG C 13 27.024 0.0 . 1 . . . . . 66 LYS CG . 16248 1 681 . 1 1 66 66 LYS HG2 H 1 1.572 0.0 . 2 . . . . . 66 LYS HG2 . 16248 1 682 . 1 1 66 66 LYS HG3 H 1 1.571 0.0 . 2 . . . . . 66 LYS HG3 . 16248 1 683 . 1 1 66 66 LYS CD C 13 25.265 0.0 . 1 . . . . . 66 LYS CD . 16248 1 684 . 1 1 66 66 LYS HD2 H 1 1.516 0.0 . 2 . . . . . 66 LYS HD2 . 16248 1 685 . 1 1 66 66 LYS HD3 H 1 1.368 0.0 . 2 . . . . . 66 LYS HD3 . 16248 1 686 . 1 1 66 66 LYS CE C 13 41.68 0.0 . 1 . . . . . 66 LYS CE . 16248 1 687 . 1 1 66 66 LYS HE2 H 1 2.871 0.0 . 2 . . . . . 66 LYS HE2 . 16248 1 688 . 1 1 66 66 LYS HE3 H 1 2.863 0.0 . 2 . . . . . 66 LYS HE3 . 16248 1 689 . 1 1 66 66 LYS C C 13 176.17 0.0 . 1 . . . . . 66 LYS C . 16248 1 690 . 1 1 67 67 ARG N N 15 116.766 0.0 . 1 . . . . . 67 ARG N . 16248 1 691 . 1 1 67 67 ARG H H 1 7.986 0.0 . 1 . . . . . 67 ARG H . 16248 1 692 . 1 1 67 67 ARG CA C 13 54.722 0.0 . 1 . . . . . 67 ARG CA . 16248 1 693 . 1 1 67 67 ARG HA H 1 4.082 0.0 . 1 . . . . . 67 ARG HA . 16248 1 694 . 1 1 67 67 ARG CB C 13 34.003 0.0 . 1 . . . . . 67 ARG CB . 16248 1 695 . 1 1 67 67 ARG CG C 13 26.77 0.0 . 1 . . . . . 67 ARG CG . 16248 1 696 . 1 1 67 67 ARG HG2 H 1 1.434 0.0 . 2 . . . . . 67 ARG HG2 . 16248 1 697 . 1 1 67 67 ARG HG3 H 1 1.358 0.0 . 2 . . . . . 67 ARG HG3 . 16248 1 698 . 1 1 67 67 ARG CD C 13 42.801 0.0 . 1 . . . . . 67 ARG CD . 16248 1 699 . 1 1 67 67 ARG HD2 H 1 3.074 0.0 . 2 . . . . . 67 ARG HD2 . 16248 1 700 . 1 1 67 67 ARG HD3 H 1 3.074 0.0 . 2 . . . . . 67 ARG HD3 . 16248 1 701 . 1 1 67 67 ARG C C 13 173.394 0.0 . 1 . . . . . 67 ARG C . 16248 1 702 . 1 1 68 68 GLY N N 15 110.58 0.0 . 1 . . . . . 68 GLY N . 16248 1 703 . 1 1 68 68 GLY H H 1 8.331 0.0 . 1 . . . . . 68 GLY H . 16248 1 704 . 1 1 68 68 GLY CA C 13 43.363 0.0 . 1 . . . . . 68 GLY CA . 16248 1 705 . 1 1 68 68 GLY HA2 H 1 4.175 0.0 . 1 . . . . . 68 GLY HA1 . 16248 1 706 . 1 1 68 68 GLY HA3 H 1 3.429 0.0 . 2 . . . . . 68 GLY HA2 . 16248 1 707 . 1 1 68 68 GLY C C 13 171.446 0.0 . 1 . . . . . 68 GLY C . 16248 1 708 . 1 1 69 69 PRO CD C 13 48.129 0.0 . 1 . . . . . 69 PRO CD . 16248 1 709 . 1 1 69 69 PRO CA C 13 63.957 0.0 . 1 . . . . . 69 PRO CA . 16248 1 710 . 1 1 69 69 PRO HA H 1 4.187 0.0 . 1 . . . . . 69 PRO HA . 16248 1 711 . 1 1 69 69 PRO CB C 13 31.127 0.0 . 1 . . . . . 69 PRO CB . 16248 1 712 . 1 1 69 69 PRO HB2 H 1 2.235 0.0 . 2 . . . . . 69 PRO HB2 . 16248 1 713 . 1 1 69 69 PRO HB3 H 1 1.846 0.0 . 2 . . . . . 69 PRO HB3 . 16248 1 714 . 1 1 69 69 PRO CG C 13 27.024 0.0 . 1 . . . . . 69 PRO CG . 16248 1 715 . 1 1 69 69 PRO HG2 H 1 1.781 0.0 . 2 . . . . . 69 PRO HG2 . 16248 1 716 . 1 1 69 69 PRO HG3 H 1 1.678 0.0 . 2 . . . . . 69 PRO HG3 . 16248 1 717 . 1 1 69 69 PRO HD2 H 1 2.872 0.0 . 2 . . . . . 69 PRO HD2 . 16248 1 718 . 1 1 69 69 PRO HD3 H 1 2.316 0.0 . 2 . . . . . 69 PRO HD3 . 16248 1 719 . 1 1 69 69 PRO C C 13 175.683 0.0 . 1 . . . . . 69 PRO C . 16248 1 720 . 1 1 70 70 ASN N N 15 114.476 0.0 . 1 . . . . . 70 ASN N . 16248 1 721 . 1 1 70 70 ASN H H 1 8.218 0.0 . 1 . . . . . 70 ASN H . 16248 1 722 . 1 1 70 70 ASN CA C 13 52.232 0.0 . 1 . . . . . 70 ASN CA . 16248 1 723 . 1 1 70 70 ASN HA H 1 4.588 0.0 . 1 . . . . . 70 ASN HA . 16248 1 724 . 1 1 70 70 ASN CB C 13 36.99 0.0 . 1 . . . . . 70 ASN CB . 16248 1 725 . 1 1 70 70 ASN HB2 H 1 3.095 0.0 . 2 . . . . . 70 ASN HB2 . 16248 1 726 . 1 1 70 70 ASN HB3 H 1 2.831 0.0 . 2 . . . . . 70 ASN HB3 . 16248 1 727 . 1 1 70 70 ASN ND2 N 15 108.399 0.0 . 1 . . . . . 70 ASN ND2 . 16248 1 728 . 1 1 70 70 ASN HD21 H 1 7.659 0.0 . 2 . . . . . 70 ASN HD21 . 16248 1 729 . 1 1 70 70 ASN HD22 H 1 6.1 0.0 . 2 . . . . . 70 ASN HD22 . 16248 1 730 . 1 1 70 70 ASN C C 13 176.495 0.0 . 1 . . . . . 70 ASN C . 16248 1 731 . 1 1 71 71 ALA N N 15 121.776 0.0 . 1 . . . . . 71 ALA N . 16248 1 732 . 1 1 71 71 ALA H H 1 7.417 0.0 . 1 . . . . . 71 ALA H . 16248 1 733 . 1 1 71 71 ALA CA C 13 53.991 0.0 . 1 . . . . . 71 ALA CA . 16248 1 734 . 1 1 71 71 ALA HA H 1 3.655 0.0 . 1 . . . . . 71 ALA HA . 16248 1 735 . 1 1 71 71 ALA HB3 H 1 1.332 0.0 . 1 . . . . . 71 ALA HB . 16248 1 736 . 1 1 71 71 ALA HB2 H 1 1.332 0.0 . 1 . . . . . 71 ALA HB . 16248 1 737 . 1 1 71 71 ALA HB1 H 1 1.332 0.0 . 1 . . . . . 71 ALA HB . 16248 1 738 . 1 1 71 71 ALA CB C 13 17.644 0.0 . 1 . . . . . 71 ALA CB . 16248 1 739 . 1 1 71 71 ALA C C 13 177.948 0.0 . 1 . . . . . 71 ALA C . 16248 1 740 . 1 1 72 72 GLY N N 15 111.888 0.0 . 1 . . . . . 72 GLY N . 16248 1 741 . 1 1 72 72 GLY H H 1 9.114 0.0 . 1 . . . . . 72 GLY H . 16248 1 742 . 1 1 72 72 GLY CA C 13 44.611 0.0 . 1 . . . . . 72 GLY CA . 16248 1 743 . 1 1 72 72 GLY HA2 H 1 4.451 0.0 . 1 . . . . . 72 GLY HA1 . 16248 1 744 . 1 1 72 72 GLY HA3 H 1 3.43 0.0 . 2 . . . . . 72 GLY HA2 . 16248 1 745 . 1 1 72 72 GLY C C 13 175.018 0.0 . 1 . . . . . 72 GLY C . 16248 1 746 . 1 1 73 73 SER N N 15 117.392 0.0 . 1 . . . . . 73 SER N . 16248 1 747 . 1 1 73 73 SER H H 1 7.995 0.0 . 1 . . . . . 73 SER H . 16248 1 748 . 1 1 73 73 SER CA C 13 60.44 0.0 . 1 . . . . . 73 SER CA . 16248 1 749 . 1 1 73 73 SER HA H 1 4.233 0.0 . 1 . . . . . 73 SER HA . 16248 1 750 . 1 1 73 73 SER CB C 13 63.957 0.0 . 1 . . . . . 73 SER CB . 16248 1 751 . 1 1 73 73 SER HB2 H 1 3.74 0.0 . 2 . . . . . 73 SER HB2 . 16248 1 752 . 1 1 73 73 SER HB3 H 1 3.572 0.0 . 2 . . . . . 73 SER HB3 . 16248 1 753 . 1 1 73 73 SER C C 13 171.324 0.0 . 1 . . . . . 73 SER C . 16248 1 754 . 1 1 74 74 ARG N N 15 119.174 0.0 . 1 . . . . . 74 ARG N . 16248 1 755 . 1 1 74 74 ARG H H 1 8.031 0.0 . 1 . . . . . 74 ARG H . 16248 1 756 . 1 1 74 74 ARG CA C 13 53.991 0.0 . 1 . . . . . 74 ARG CA . 16248 1 757 . 1 1 74 74 ARG HA H 1 5.135 0.0 . 1 . . . . . 74 ARG HA . 16248 1 758 . 1 1 74 74 ARG CB C 13 34.059 0.0 . 1 . . . . . 74 ARG CB . 16248 1 759 . 1 1 74 74 ARG HB2 H 1 1.554 0.0 . 2 . . . . . 74 ARG HB2 . 16248 1 760 . 1 1 74 74 ARG HB3 H 1 1.549 0.0 . 2 . . . . . 74 ARG HB3 . 16248 1 761 . 1 1 74 74 ARG CG C 13 27.024 0.0 . 1 . . . . . 74 ARG CG . 16248 1 762 . 1 1 74 74 ARG HG2 H 1 1.562 0.0 . 2 . . . . . 74 ARG HG2 . 16248 1 763 . 1 1 74 74 ARG HG3 H 1 1.434 0.0 . 2 . . . . . 74 ARG HG3 . 16248 1 764 . 1 1 74 74 ARG CD C 13 44.025 0.0 . 1 . . . . . 74 ARG CD . 16248 1 765 . 1 1 74 74 ARG HD2 H 1 3.109 0.0 . 2 . . . . . 74 ARG HD2 . 16248 1 766 . 1 1 74 74 ARG HD3 H 1 3.013 0.0 . 2 . . . . . 74 ARG HD3 . 16248 1 767 . 1 1 74 74 ARG NE N 15 113.984 0.0 . 1 . . . . . 74 ARG NE . 16248 1 768 . 1 1 74 74 ARG HE H 1 7.096 0.0 . 1 . . . . . 74 ARG HE . 16248 1 769 . 1 1 74 74 ARG C C 13 174.758 0.0 . 1 . . . . . 74 ARG C . 16248 1 770 . 1 1 75 75 PHE N N 15 120.819 0.0 . 1 . . . . . 75 PHE N . 16248 1 771 . 1 1 75 75 PHE H H 1 9.127 0.0 . 1 . . . . . 75 PHE H . 16248 1 772 . 1 1 75 75 PHE CA C 13 56.922 0.0 . 1 . . . . . 75 PHE CA . 16248 1 773 . 1 1 75 75 PHE HA H 1 5.422 0.0 . 1 . . . . . 75 PHE HA . 16248 1 774 . 1 1 75 75 PHE CB C 13 41.094 0.0 . 1 . . . . . 75 PHE CB . 16248 1 775 . 1 1 75 75 PHE HB2 H 1 3.022 0.0 . 2 . . . . . 75 PHE HB2 . 16248 1 776 . 1 1 75 75 PHE HB3 H 1 2.778 0.0 . 2 . . . . . 75 PHE HB3 . 16248 1 777 . 1 1 75 75 PHE CD1 C 13 132.026 0.0 . 3 . . . . . 75 PHE CD1 . 16248 1 778 . 1 1 75 75 PHE HD1 H 1 6.901 0.0 . 3 . . . . . 75 PHE HD1 . 16248 1 779 . 1 1 75 75 PHE CE1 C 13 132.026 0.0 . 3 . . . . . 75 PHE CE1 . 16248 1 780 . 1 1 75 75 PHE HE1 H 1 7.014 0.0 . 3 . . . . . 75 PHE HE1 . 16248 1 781 . 1 1 75 75 PHE CE2 C 13 132.026 0.0 . 3 . . . . . 75 PHE CE2 . 16248 1 782 . 1 1 75 75 PHE HE2 H 1 7.014 0.0 . 3 . . . . . 75 PHE HE2 . 16248 1 783 . 1 1 75 75 PHE CD2 C 13 132.026 0.0 . 3 . . . . . 75 PHE CD2 . 16248 1 784 . 1 1 75 75 PHE HD2 H 1 6.901 0.0 . 3 . . . . . 75 PHE HD2 . 16248 1 785 . 1 1 75 75 PHE C C 13 173.735 0.0 . 1 . . . . . 75 PHE C . 16248 1 786 . 1 1 76 76 LEU N N 15 125.701 0.0 . 1 . . . . . 76 LEU N . 16248 1 787 . 1 1 76 76 LEU H H 1 8.587 0.0 . 1 . . . . . 76 LEU H . 16248 1 788 . 1 1 76 76 LEU CA C 13 54.577 0.0 . 1 . . . . . 76 LEU CA . 16248 1 789 . 1 1 76 76 LEU HA H 1 4.486 0.0 . 1 . . . . . 76 LEU HA . 16248 1 790 . 1 1 76 76 LEU CB C 13 43.439 0.0 . 1 . . . . . 76 LEU CB . 16248 1 791 . 1 1 76 76 LEU HB2 H 1 1.681 0.0 . 2 . . . . . 76 LEU HB2 . 16248 1 792 . 1 1 76 76 LEU HB3 H 1 1.385 0.0 . 2 . . . . . 76 LEU HB3 . 16248 1 793 . 1 1 76 76 LEU CG C 13 27.61 0.0 . 1 . . . . . 76 LEU CG . 16248 1 794 . 1 1 76 76 LEU HG H 1 1.392 0.0 . 1 . . . . . 76 LEU HG . 16248 1 795 . 1 1 76 76 LEU HD11 H 1 0.841 0.0 . 2 . . . . . 76 LEU HD1 . 16248 1 796 . 1 1 76 76 LEU HD12 H 1 0.841 0.0 . 2 . . . . . 76 LEU HD1 . 16248 1 797 . 1 1 76 76 LEU HD13 H 1 0.841 0.0 . 2 . . . . . 76 LEU HD1 . 16248 1 798 . 1 1 76 76 LEU HD22 H 1 0.846 0.0 . 2 . . . . . 76 LEU HD2 . 16248 1 799 . 1 1 76 76 LEU HD23 H 1 0.846 0.0 . 2 . . . . . 76 LEU HD2 . 16248 1 800 . 1 1 76 76 LEU HD21 H 1 0.846 0.0 . 2 . . . . . 76 LEU HD2 . 16248 1 801 . 1 1 76 76 LEU CD1 C 13 25.265 0.0 . 2 . . . . . 76 LEU CD1 . 16248 1 802 . 1 1 76 76 LEU CD2 C 13 24.092 0.0 . 2 . . . . . 76 LEU CD2 . 16248 1 803 . 1 1 76 76 LEU C C 13 176.235 0.0 . 1 . . . . . 76 LEU C . 16248 1 804 . 1 1 77 77 LEU N N 15 127.128 0.0 . 1 . . . . . 77 LEU N . 16248 1 805 . 1 1 77 77 LEU H H 1 8.829 0.0 . 1 . . . . . 77 LEU H . 16248 1 806 . 1 1 77 77 LEU CA C 13 52.819 0.0 . 1 . . . . . 77 LEU CA . 16248 1 807 . 1 1 77 77 LEU HA H 1 4.797 0.0 . 1 . . . . . 77 LEU HA . 16248 1 808 . 1 1 77 77 LEU CB C 13 41.68 0.0 . 1 . . . . . 77 LEU CB . 16248 1 809 . 1 1 77 77 LEU HB2 H 1 1.379 0.0 . 2 . . . . . 77 LEU HB2 . 16248 1 810 . 1 1 77 77 LEU HB3 H 1 1.224 0.0 . 2 . . . . . 77 LEU HB3 . 16248 1 811 . 1 1 77 77 LEU CG C 13 26.437 0.0 . 1 . . . . . 77 LEU CG . 16248 1 812 . 1 1 77 77 LEU HG H 1 1.217 0.0 . 1 . . . . . 77 LEU HG . 16248 1 813 . 1 1 77 77 LEU HD13 H 1 0.552 0.0 . 2 . . . . . 77 LEU HD1 . 16248 1 814 . 1 1 77 77 LEU HD11 H 1 0.552 0.0 . 2 . . . . . 77 LEU HD1 . 16248 1 815 . 1 1 77 77 LEU HD12 H 1 0.552 0.0 . 2 . . . . . 77 LEU HD1 . 16248 1 816 . 1 1 77 77 LEU HD21 H 1 0.322 0.0 . 2 . . . . . 77 LEU HD2 . 16248 1 817 . 1 1 77 77 LEU HD23 H 1 0.322 0.0 . 2 . . . . . 77 LEU HD2 . 16248 1 818 . 1 1 77 77 LEU HD22 H 1 0.322 0.0 . 2 . . . . . 77 LEU HD2 . 16248 1 819 . 1 1 77 77 LEU CD1 C 13 23.506 0.0 . 2 . . . . . 77 LEU CD1 . 16248 1 820 . 1 1 77 77 LEU CD2 C 13 24.679 0.0 . 2 . . . . . 77 LEU CD2 . 16248 1 821 . 1 1 77 77 LEU C C 13 175.115 0.0 . 1 . . . . . 77 LEU C . 16248 1 822 . 1 1 78 78 ASP N N 15 120.758 0.0 . 1 . . . . . 78 ASP N . 16248 1 823 . 1 1 78 78 ASP H H 1 8.499 0.0 . 1 . . . . . 78 ASP H . 16248 1 824 . 1 1 78 78 ASP CA C 13 53.405 0.0 . 1 . . . . . 78 ASP CA . 16248 1 825 . 1 1 78 78 ASP HA H 1 4.811 0.0 . 1 . . . . . 78 ASP HA . 16248 1 826 . 1 1 78 78 ASP CB C 13 40.507 0.0 . 1 . . . . . 78 ASP CB . 16248 1 827 . 1 1 78 78 ASP HB2 H 1 2.851 0.0 . 2 . . . . . 78 ASP HB2 . 16248 1 828 . 1 1 78 78 ASP HB3 H 1 2.489 0.0 . 2 . . . . . 78 ASP HB3 . 16248 1 829 . 1 1 78 78 ASP C C 13 175.537 0.0 . 1 . . . . . 78 ASP C . 16248 1 830 . 1 1 79 79 GLN N N 15 116.358 0.0 . 1 . . . . . 79 GLN N . 16248 1 831 . 1 1 79 79 GLN H H 1 7.59 0.0 . 1 . . . . . 79 GLN H . 16248 1 832 . 1 1 79 79 GLN CA C 13 53.405 0.0 . 1 . . . . . 79 GLN CA . 16248 1 833 . 1 1 79 79 GLN HA H 1 4.646 0.0 . 1 . . . . . 79 GLN HA . 16248 1 834 . 1 1 79 79 GLN CB C 13 31.127 0.0 . 1 . . . . . 79 GLN CB . 16248 1 835 . 1 1 79 79 GLN HB2 H 1 2.294 0.0 . 2 . . . . . 79 GLN HB2 . 16248 1 836 . 1 1 79 79 GLN HB3 H 1 1.965 0.0 . 2 . . . . . 79 GLN HB3 . 16248 1 837 . 1 1 79 79 GLN CG C 13 32.886 0.0 . 1 . . . . . 79 GLN CG . 16248 1 838 . 1 1 79 79 GLN HG2 H 1 2.486 0.0 . 2 . . . . . 79 GLN HG2 . 16248 1 839 . 1 1 79 79 GLN HG3 H 1 2.373 0.0 . 2 . . . . . 79 GLN HG3 . 16248 1 840 . 1 1 79 79 GLN NE2 N 15 113.498 0.0 . 1 . . . . . 79 GLN NE2 . 16248 1 841 . 1 1 79 79 GLN HE21 H 1 7.629 0.0 . 2 . . . . . 79 GLN HE21 . 16248 1 842 . 1 1 79 79 GLN HE22 H 1 6.751 0.0 . 2 . . . . . 79 GLN HE22 . 16248 1 843 . 1 1 79 79 GLN C C 13 175.375 0.0 . 1 . . . . . 79 GLN C . 16248 1 844 . 1 1 80 80 ALA N N 15 122.792 0.0 . 1 . . . . . 80 ALA N . 16248 1 845 . 1 1 80 80 ALA H H 1 8.605 0.0 . 1 . . . . . 80 ALA H . 16248 1 846 . 1 1 80 80 ALA CA C 13 55.75 0.0 . 1 . . . . . 80 ALA CA . 16248 1 847 . 1 1 80 80 ALA HA H 1 4.188 0.0 . 1 . . . . . 80 ALA HA . 16248 1 848 . 1 1 80 80 ALA HB1 H 1 1.527 0.0 . 1 . . . . . 80 ALA HB . 16248 1 849 . 1 1 80 80 ALA HB2 H 1 1.527 0.0 . 1 . . . . . 80 ALA HB . 16248 1 850 . 1 1 80 80 ALA HB3 H 1 1.527 0.0 . 1 . . . . . 80 ALA HB . 16248 1 851 . 1 1 80 80 ALA CB C 13 18.23 0.0 . 1 . . . . . 80 ALA CB . 16248 1 852 . 1 1 80 80 ALA C C 13 178.54 0.0 . 1 . . . . . 80 ALA C . 16248 1 853 . 1 1 81 81 ILE N N 15 115.348 0.0 . 1 . . . . . 81 ILE N . 16248 1 854 . 1 1 81 81 ILE H H 1 7.953 0.0 . 1 . . . . . 81 ILE H . 16248 1 855 . 1 1 81 81 ILE CA C 13 61.133 0.0 . 1 . . . . . 81 ILE CA . 16248 1 856 . 1 1 81 81 ILE HA H 1 4.623 0.0 . 1 . . . . . 81 ILE HA . 16248 1 857 . 1 1 81 81 ILE CB C 13 40.605 0.0 . 1 . . . . . 81 ILE CB . 16248 1 858 . 1 1 81 81 ILE HB H 1 1.789 0.0 . 1 . . . . . 81 ILE HB . 16248 1 859 . 1 1 81 81 ILE HG21 H 1 0.832 0.0 . 1 . . . . . 81 ILE HG2 . 16248 1 860 . 1 1 81 81 ILE HG22 H 1 0.832 0.0 . 1 . . . . . 81 ILE HG2 . 16248 1 861 . 1 1 81 81 ILE HG23 H 1 0.832 0.0 . 1 . . . . . 81 ILE HG2 . 16248 1 862 . 1 1 81 81 ILE CG2 C 13 12.954 0.0 . 1 . . . . . 81 ILE CG2 . 16248 1 863 . 1 1 81 81 ILE CG1 C 13 27.052 0.0 . 1 . . . . . 81 ILE CG1 . 16248 1 864 . 1 1 81 81 ILE HG12 H 1 1.519 0.0 . 2 . . . . . 81 ILE HG12 . 16248 1 865 . 1 1 81 81 ILE HG13 H 1 1.519 0.0 . 2 . . . . . 81 ILE HG13 . 16248 1 866 . 1 1 81 81 ILE HD12 H 1 0.744 0.0 . 1 . . . . . 81 ILE HD1 . 16248 1 867 . 1 1 81 81 ILE HD13 H 1 0.744 0.0 . 1 . . . . . 81 ILE HD1 . 16248 1 868 . 1 1 81 81 ILE HD11 H 1 0.744 0.0 . 1 . . . . . 81 ILE HD1 . 16248 1 869 . 1 1 81 81 ILE CD1 C 13 17.208 0.0 . 1 . . . . . 81 ILE CD1 . 16248 1 870 . 1 1 81 81 ILE C C 13 175.074 0.0 . 1 . . . . . 81 ILE C . 16248 1 871 . 1 1 82 82 THR N N 15 125.129 0.0 . 1 . . . . . 82 THR N . 16248 1 872 . 1 1 82 82 THR H H 1 8.761 0.0 . 1 . . . . . 82 THR H . 16248 1 873 . 1 1 82 82 THR CA C 13 61.026 0.0 . 1 . . . . . 82 THR CA . 16248 1 874 . 1 1 82 82 THR HA H 1 4.937 0.0 . 1 . . . . . 82 THR HA . 16248 1 875 . 1 1 82 82 THR CB C 13 70.406 0.0 . 1 . . . . . 82 THR CB . 16248 1 876 . 1 1 82 82 THR HB H 1 4.115 0.0 . 1 . . . . . 82 THR HB . 16248 1 877 . 1 1 82 82 THR HG23 H 1 1.24 0.0 . 1 . . . . . 82 THR HG2 . 16248 1 878 . 1 1 82 82 THR HG22 H 1 1.24 0.0 . 1 . . . . . 82 THR HG2 . 16248 1 879 . 1 1 82 82 THR HG21 H 1 1.24 0.0 . 1 . . . . . 82 THR HG2 . 16248 1 880 . 1 1 82 82 THR CG2 C 13 22.334 0.0 . 1 . . . . . 82 THR CG2 . 16248 1 881 . 1 1 82 82 THR C C 13 174.604 0.0 . 1 . . . . . 82 THR C . 16248 1 882 . 1 1 83 83 SER N N 15 126.536 0.0 . 1 . . . . . 83 SER N . 16248 1 883 . 1 1 83 83 SER H H 1 10.606 0.0 . 1 . . . . . 83 SER H . 16248 1 884 . 1 1 83 83 SER CA C 13 58.095 0.0 . 1 . . . . . 83 SER CA . 16248 1 885 . 1 1 83 83 SER HA H 1 4.7 0.0 . 1 . . . . . 83 SER HA . 16248 1 886 . 1 1 83 83 SER CB C 13 65.13 0.0 . 1 . . . . . 83 SER CB . 16248 1 887 . 1 1 83 83 SER HB2 H 1 4.3 0.0 . 2 . . . . . 83 SER HB2 . 16248 1 888 . 1 1 83 83 SER HB3 H 1 4.005 0.0 . 2 . . . . . 83 SER HB3 . 16248 1 889 . 1 1 83 83 SER C C 13 172.623 0.0 . 1 . . . . . 83 SER C . 16248 1 890 . 1 1 84 84 ALA N N 15 123.006 0.0 . 1 . . . . . 84 ALA N . 16248 1 891 . 1 1 84 84 ALA H H 1 8.831 0.0 . 1 . . . . . 84 ALA H . 16248 1 892 . 1 1 84 84 ALA CA C 13 49.887 0.0 . 1 . . . . . 84 ALA CA . 16248 1 893 . 1 1 84 84 ALA HA H 1 5.695 0.0 . 1 . . . . . 84 ALA HA . 16248 1 894 . 1 1 84 84 ALA HB1 H 1 1.194 0.0 . 1 . . . . . 84 ALA HB . 16248 1 895 . 1 1 84 84 ALA HB3 H 1 1.194 0.0 . 1 . . . . . 84 ALA HB . 16248 1 896 . 1 1 84 84 ALA HB2 H 1 1.194 0.0 . 1 . . . . . 84 ALA HB . 16248 1 897 . 1 1 84 84 ALA CB C 13 21.747 0.0 . 1 . . . . . 84 ALA CB . 16248 1 898 . 1 1 84 84 ALA C C 13 175.756 0.0 . 1 . . . . . 84 ALA C . 16248 1 899 . 1 1 85 85 GLY N N 15 108.829 0.0 . 1 . . . . . 85 GLY N . 16248 1 900 . 1 1 85 85 GLY H H 1 8.41 0.0 . 1 . . . . . 85 GLY H . 16248 1 901 . 1 1 85 85 GLY CA C 13 46.37 0.0 . 1 . . . . . 85 GLY CA . 16248 1 902 . 1 1 85 85 GLY HA2 H 1 4.424 0.0 . 1 . . . . . 85 GLY HA1 . 16248 1 903 . 1 1 85 85 GLY HA3 H 1 3.926 0.0 . 2 . . . . . 85 GLY HA2 . 16248 1 904 . 1 1 85 85 GLY C C 13 170.399 0.0 . 1 . . . . . 85 GLY C . 16248 1 905 . 1 1 86 86 ARG N N 15 120.727 0.0 . 1 . . . . . 86 ARG N . 16248 1 906 . 1 1 86 86 ARG H H 1 8.273 0.0 . 1 . . . . . 86 ARG H . 16248 1 907 . 1 1 86 86 ARG CA C 13 55.164 0.0 . 1 . . . . . 86 ARG CA . 16248 1 908 . 1 1 86 86 ARG HA H 1 4.653 0.0 . 1 . . . . . 86 ARG HA . 16248 1 909 . 1 1 86 86 ARG CB C 13 34.059 0.0 . 1 . . . . . 86 ARG CB . 16248 1 910 . 1 1 86 86 ARG HB2 H 1 1.788 0.0 . 2 . . . . . 86 ARG HB2 . 16248 1 911 . 1 1 86 86 ARG HB3 H 1 1.696 0.0 . 2 . . . . . 86 ARG HB3 . 16248 1 912 . 1 1 86 86 ARG CG C 13 27.024 0.0 . 1 . . . . . 86 ARG CG . 16248 1 913 . 1 1 86 86 ARG HG2 H 1 1.609 0.0 . 2 . . . . . 86 ARG HG2 . 16248 1 914 . 1 1 86 86 ARG HG3 H 1 1.509 0.0 . 2 . . . . . 86 ARG HG3 . 16248 1 915 . 1 1 86 86 ARG CD C 13 42.852 0.0 . 1 . . . . . 86 ARG CD . 16248 1 916 . 1 1 86 86 ARG HD2 H 1 3.201 0.0 . 2 . . . . . 86 ARG HD2 . 16248 1 917 . 1 1 86 86 ARG HD3 H 1 3.103 0.0 . 2 . . . . . 86 ARG HD3 . 16248 1 918 . 1 1 86 86 ARG NE N 15 114.227 0.0 . 1 . . . . . 86 ARG NE . 16248 1 919 . 1 1 86 86 ARG HE H 1 7.925 0.0 . 1 . . . . . 86 ARG HE . 16248 1 920 . 1 1 86 86 ARG C C 13 175.659 0.0 . 1 . . . . . 86 ARG C . 16248 1 921 . 1 1 87 87 HIS N N 15 125.047 0.0 . 1 . . . . . 87 HIS N . 16248 1 922 . 1 1 87 87 HIS H H 1 9.126 0.0 . 1 . . . . . 87 HIS H . 16248 1 923 . 1 1 87 87 HIS CA C 13 56.922 0.0 . 1 . . . . . 87 HIS CA . 16248 1 924 . 1 1 87 87 HIS HA H 1 4.382 0.0 . 1 . . . . . 87 HIS HA . 16248 1 925 . 1 1 87 87 HIS CB C 13 31.127 0.0 . 1 . . . . . 87 HIS CB . 16248 1 926 . 1 1 87 87 HIS HB2 H 1 2.886 0.0 . 2 . . . . . 87 HIS HB2 . 16248 1 927 . 1 1 87 87 HIS HB3 H 1 2.764 0.0 . 2 . . . . . 87 HIS HB3 . 16248 1 928 . 1 1 87 87 HIS ND1 N 15 116.898 0.0 . 1 . . . . . 87 HIS ND1 . 16248 1 929 . 1 1 87 87 HIS CD2 C 13 132.026 0.0 . 1 . . . . . 87 HIS CD2 . 16248 1 930 . 1 1 87 87 HIS HD1 H 1 9.239 0.0 . 1 . . . . . 87 HIS HD1 . 16248 1 931 . 1 1 87 87 HIS CE1 C 13 117.399 0.0 . 1 . . . . . 87 HIS CE1 . 16248 1 932 . 1 1 87 87 HIS HD2 H 1 6.56 0.0 . 1 . . . . . 87 HIS HD2 . 16248 1 933 . 1 1 87 87 HIS HE1 H 1 6.986 0.0 . 1 . . . . . 87 HIS HE1 . 16248 1 934 . 1 1 87 87 HIS C C 13 176.56 0.0 . 1 . . . . . 87 HIS C . 16248 1 935 . 1 1 88 88 PRO CD C 13 50.474 0.0 . 1 . . . . . 88 PRO CD . 16248 1 936 . 1 1 88 88 PRO CA C 13 64.544 0.0 . 1 . . . . . 88 PRO CA . 16248 1 937 . 1 1 88 88 PRO HA H 1 3.745 0.0 . 1 . . . . . 88 PRO HA . 16248 1 938 . 1 1 88 88 PRO CB C 13 32.3 0.0 . 1 . . . . . 88 PRO CB . 16248 1 939 . 1 1 88 88 PRO HB2 H 1 1.954 0.0 . 2 . . . . . 88 PRO HB2 . 16248 1 940 . 1 1 88 88 PRO HB3 H 1 1.706 0.0 . 2 . . . . . 88 PRO HB3 . 16248 1 941 . 1 1 88 88 PRO CG C 13 27.024 0.0 . 1 . . . . . 88 PRO CG . 16248 1 942 . 1 1 88 88 PRO HG2 H 1 1.753 0.0 . 2 . . . . . 88 PRO HG2 . 16248 1 943 . 1 1 88 88 PRO HG3 H 1 1.648 0.0 . 2 . . . . . 88 PRO HG3 . 16248 1 944 . 1 1 88 88 PRO HD2 H 1 3.49 0.0 . 2 . . . . . 88 PRO HD2 . 16248 1 945 . 1 1 88 88 PRO HD3 H 1 2.331 0.0 . 2 . . . . . 88 PRO HD3 . 16248 1 946 . 1 1 88 88 PRO C C 13 176.901 0.0 . 1 . . . . . 88 PRO C . 16248 1 947 . 1 1 89 89 ASP N N 15 121.623 0.0 . 1 . . . . . 89 ASP N . 16248 1 948 . 1 1 89 89 ASP H H 1 10.807 0.0 . 1 . . . . . 89 ASP H . 16248 1 949 . 1 1 89 89 ASP CA C 13 53.405 0.0 . 1 . . . . . 89 ASP CA . 16248 1 950 . 1 1 89 89 ASP HA H 1 4.668 0.0 . 1 . . . . . 89 ASP HA . 16248 1 951 . 1 1 89 89 ASP CB C 13 39.921 0.0 . 1 . . . . . 89 ASP CB . 16248 1 952 . 1 1 89 89 ASP HB2 H 1 2.833 0.0 . 2 . . . . . 89 ASP HB2 . 16248 1 953 . 1 1 89 89 ASP HB3 H 1 2.684 0.0 . 2 . . . . . 89 ASP HB3 . 16248 1 954 . 1 1 89 89 ASP C C 13 177.29 0.0 . 1 . . . . . 89 ASP C . 16248 1 955 . 1 1 90 90 SER N N 15 118.014 0.0 . 1 . . . . . 90 SER N . 16248 1 956 . 1 1 90 90 SER H H 1 8.124 0.0 . 1 . . . . . 90 SER H . 16248 1 957 . 1 1 90 90 SER CA C 13 59.854 0.0 . 1 . . . . . 90 SER CA . 16248 1 958 . 1 1 90 90 SER HA H 1 4.062 0.0 . 1 . . . . . 90 SER HA . 16248 1 959 . 1 1 90 90 SER CB C 13 65.13 0.0 . 1 . . . . . 90 SER CB . 16248 1 960 . 1 1 90 90 SER HB2 H 1 3.566 0.0 . 2 . . . . . 90 SER HB2 . 16248 1 961 . 1 1 90 90 SER HB3 H 1 3.561 0.0 . 2 . . . . . 90 SER HB3 . 16248 1 962 . 1 1 90 90 SER HG H 1 6.024 0.0 . 1 . . . . . 90 SER HG . 16248 1 963 . 1 1 90 90 SER C C 13 173.297 0.0 . 1 . . . . . 90 SER C . 16248 1 964 . 1 1 91 91 ASP N N 15 125.896 0.0 . 1 . . . . . 91 ASP N . 16248 1 965 . 1 1 91 91 ASP H H 1 8.272 0.0 . 1 . . . . . 91 ASP H . 16248 1 966 . 1 1 91 91 ASP CA C 13 58.681 0.0 . 1 . . . . . 91 ASP CA . 16248 1 967 . 1 1 91 91 ASP HA H 1 4.375 0.0 . 1 . . . . . 91 ASP HA . 16248 1 968 . 1 1 91 91 ASP CB C 13 41.68 0.0 . 1 . . . . . 91 ASP CB . 16248 1 969 . 1 1 91 91 ASP HB2 H 1 3.26 0.0 . 2 . . . . . 91 ASP HB2 . 16248 1 970 . 1 1 91 91 ASP HB3 H 1 2.784 0.0 . 2 . . . . . 91 ASP HB3 . 16248 1 971 . 1 1 91 91 ASP C C 13 177.453 0.0 . 1 . . . . . 91 ASP C . 16248 1 972 . 1 1 92 92 ILE N N 15 119.947 0.0 . 1 . . . . . 92 ILE N . 16248 1 973 . 1 1 92 92 ILE H H 1 8.465 0.0 . 1 . . . . . 92 ILE H . 16248 1 974 . 1 1 92 92 ILE CA C 13 60.44 0.0 . 1 . . . . . 92 ILE CA . 16248 1 975 . 1 1 92 92 ILE HA H 1 3.572 0.0 . 1 . . . . . 92 ILE HA . 16248 1 976 . 1 1 92 92 ILE CB C 13 37.576 0.0 . 1 . . . . . 92 ILE CB . 16248 1 977 . 1 1 92 92 ILE HB H 1 1.464 0.0 . 1 . . . . . 92 ILE HB . 16248 1 978 . 1 1 92 92 ILE HG23 H 1 0.277 0.0 . 1 . . . . . 92 ILE HG2 . 16248 1 979 . 1 1 92 92 ILE HG21 H 1 0.277 0.0 . 1 . . . . . 92 ILE HG2 . 16248 1 980 . 1 1 92 92 ILE HG22 H 1 0.277 0.0 . 1 . . . . . 92 ILE HG2 . 16248 1 981 . 1 1 92 92 ILE CG2 C 13 14.712 0.0 . 1 . . . . . 92 ILE CG2 . 16248 1 982 . 1 1 92 92 ILE CG1 C 13 25.851 0.0 . 1 . . . . . 92 ILE CG1 . 16248 1 983 . 1 1 92 92 ILE HG12 H 1 1.095 0.0 . 2 . . . . . 92 ILE HG12 . 16248 1 984 . 1 1 92 92 ILE HG13 H 1 0.347 0.0 . 2 . . . . . 92 ILE HG13 . 16248 1 985 . 1 1 92 92 ILE HD13 H 1 -0.539 0.0 . 1 . . . . . 92 ILE HD1 . 16248 1 986 . 1 1 92 92 ILE HD12 H 1 -0.539 0.0 . 1 . . . . . 92 ILE HD1 . 16248 1 987 . 1 1 92 92 ILE HD11 H 1 -0.539 0.0 . 1 . . . . . 92 ILE HD1 . 16248 1 988 . 1 1 92 92 ILE CD1 C 13 14.126 0.0 . 1 . . . . . 92 ILE CD1 . 16248 1 989 . 1 1 92 92 ILE C C 13 172.85 0.0 . 1 . . . . . 92 ILE C . 16248 1 990 . 1 1 93 93 PHE N N 15 127.282 0.0 . 1 . . . . . 93 PHE N . 16248 1 991 . 1 1 93 93 PHE H H 1 7.971 0.0 . 1 . . . . . 93 PHE H . 16248 1 992 . 1 1 93 93 PHE CA C 13 55.75 0.0 . 1 . . . . . 93 PHE CA . 16248 1 993 . 1 1 93 93 PHE HA H 1 5.008 0.0 . 1 . . . . . 93 PHE HA . 16248 1 994 . 1 1 93 93 PHE CB C 13 38.749 0.0 . 1 . . . . . 93 PHE CB . 16248 1 995 . 1 1 93 93 PHE HB2 H 1 3.027 0.0 . 2 . . . . . 93 PHE HB2 . 16248 1 996 . 1 1 93 93 PHE HB3 H 1 2.958 0.0 . 2 . . . . . 93 PHE HB3 . 16248 1 997 . 1 1 93 93 PHE CD1 C 13 132.026 0.0 . 3 . . . . . 93 PHE CD1 . 16248 1 998 . 1 1 93 93 PHE HD1 H 1 7.137 0.0 . 3 . . . . . 93 PHE HD1 . 16248 1 999 . 1 1 93 93 PHE CE1 C 13 131.745 0.0 . 3 . . . . . 93 PHE CE1 . 16248 1 1000 . 1 1 93 93 PHE HE1 H 1 6.876 0.0 . 3 . . . . . 93 PHE HE1 . 16248 1 1001 . 1 1 93 93 PHE CE2 C 13 131.745 0.0 . 3 . . . . . 93 PHE CE2 . 16248 1 1002 . 1 1 93 93 PHE HE2 H 1 6.876 0.0 . 3 . . . . . 93 PHE HE2 . 16248 1 1003 . 1 1 93 93 PHE CD2 C 13 132.026 0.0 . 3 . . . . . 93 PHE CD2 . 16248 1 1004 . 1 1 93 93 PHE HD2 H 1 7.137 0.0 . 3 . . . . . 93 PHE HD2 . 16248 1 1005 . 1 1 93 93 PHE C C 13 173.938 0.0 . 1 . . . . . 93 PHE C . 16248 1 1006 . 1 1 94 94 LEU N N 15 131.615 0.0 . 1 . . . . . 94 LEU N . 16248 1 1007 . 1 1 94 94 LEU H H 1 7.65 0.0 . 1 . . . . . 94 LEU H . 16248 1 1008 . 1 1 94 94 LEU CA C 13 52.232 0.0 . 1 . . . . . 94 LEU CA . 16248 1 1009 . 1 1 94 94 LEU HA H 1 3.628 0.0 . 1 . . . . . 94 LEU HA . 16248 1 1010 . 1 1 94 94 LEU CB C 13 41.094 0.0 . 1 . . . . . 94 LEU CB . 16248 1 1011 . 1 1 94 94 LEU HB2 H 1 1.193 0.0 . 2 . . . . . 94 LEU HB2 . 16248 1 1012 . 1 1 94 94 LEU HB3 H 1 0.199 0.0 . 2 . . . . . 94 LEU HB3 . 16248 1 1013 . 1 1 94 94 LEU CG C 13 26.437 0.0 . 1 . . . . . 94 LEU CG . 16248 1 1014 . 1 1 94 94 LEU HG H 1 0.252 0.0 . 1 . . . . . 94 LEU HG . 16248 1 1015 . 1 1 94 94 LEU HD11 H 1 1.006 0.0 . 2 . . . . . 94 LEU HD1 . 16248 1 1016 . 1 1 94 94 LEU HD12 H 1 1.006 0.0 . 2 . . . . . 94 LEU HD1 . 16248 1 1017 . 1 1 94 94 LEU HD13 H 1 1.006 0.0 . 2 . . . . . 94 LEU HD1 . 16248 1 1018 . 1 1 94 94 LEU HD22 H 1 -0.382 0.0 . 2 . . . . . 94 LEU HD2 . 16248 1 1019 . 1 1 94 94 LEU HD23 H 1 -0.382 0.0 . 2 . . . . . 94 LEU HD2 . 16248 1 1020 . 1 1 94 94 LEU HD21 H 1 -0.382 0.0 . 2 . . . . . 94 LEU HD2 . 16248 1 1021 . 1 1 94 94 LEU CD1 C 13 24.679 0.0 . 2 . . . . . 94 LEU CD1 . 16248 1 1022 . 1 1 94 94 LEU CD2 C 13 20.575 0.0 . 2 . . . . . 94 LEU CD2 . 16248 1 1023 . 1 1 94 94 LEU C C 13 173.67 0.0 . 1 . . . . . 94 LEU C . 16248 1 1024 . 1 1 95 95 ASP N N 15 121.009 0.0 . 1 . . . . . 95 ASP N . 16248 1 1025 . 1 1 95 95 ASP H H 1 7.93 0.0 . 1 . . . . . 95 ASP H . 16248 1 1026 . 1 1 95 95 ASP CA C 13 52.819 0.0 . 1 . . . . . 95 ASP CA . 16248 1 1027 . 1 1 95 95 ASP HA H 1 4.132 0.0 . 1 . . . . . 95 ASP HA . 16248 1 1028 . 1 1 95 95 ASP CB C 13 39.921 0.0 . 1 . . . . . 95 ASP CB . 16248 1 1029 . 1 1 95 95 ASP HB2 H 1 2.622 0.0 . 2 . . . . . 95 ASP HB2 . 16248 1 1030 . 1 1 95 95 ASP HB3 H 1 1.63 0.0 . 2 . . . . . 95 ASP HB3 . 16248 1 1031 . 1 1 95 95 ASP C C 13 176.552 0.0 . 1 . . . . . 95 ASP C . 16248 1 1032 . 1 1 96 96 ASP N N 15 121.314 0.0 . 1 . . . . . 96 ASP N . 16248 1 1033 . 1 1 96 96 ASP H H 1 7.545 0.0 . 1 . . . . . 96 ASP H . 16248 1 1034 . 1 1 96 96 ASP CA C 13 55.164 0.0 . 1 . . . . . 96 ASP CA . 16248 1 1035 . 1 1 96 96 ASP HA H 1 4.816 0.0 . 1 . . . . . 96 ASP HA . 16248 1 1036 . 1 1 96 96 ASP CB C 13 48.129 0.0 . 1 . . . . . 96 ASP CB . 16248 1 1037 . 1 1 96 96 ASP HB2 H 1 2.579 0.0 . 2 . . . . . 96 ASP HB2 . 16248 1 1038 . 1 1 96 96 ASP HB3 H 1 2.38 0.0 . 2 . . . . . 96 ASP HB3 . 16248 1 1039 . 1 1 96 96 ASP C C 13 176.625 0.0 . 1 . . . . . 96 ASP C . 16248 1 1040 . 1 1 97 97 VAL N N 15 122.229 0.0 . 1 . . . . . 97 VAL N . 16248 1 1041 . 1 1 97 97 VAL H H 1 8.301 0.0 . 1 . . . . . 97 VAL H . 16248 1 1042 . 1 1 97 97 VAL CA C 13 65.13 0.0 . 1 . . . . . 97 VAL CA . 16248 1 1043 . 1 1 97 97 VAL HA H 1 3.976 0.0 . 1 . . . . . 97 VAL HA . 16248 1 1044 . 1 1 97 97 VAL CB C 13 31.714 0.0 . 1 . . . . . 97 VAL CB . 16248 1 1045 . 1 1 97 97 VAL HB H 1 2.378 0.0 . 1 . . . . . 97 VAL HB . 16248 1 1046 . 1 1 97 97 VAL HG11 H 1 0.975 0.0 . 2 . . . . . 97 VAL HG1 . 16248 1 1047 . 1 1 97 97 VAL HG12 H 1 0.975 0.0 . 2 . . . . . 97 VAL HG1 . 16248 1 1048 . 1 1 97 97 VAL HG13 H 1 0.975 0.0 . 2 . . . . . 97 VAL HG1 . 16248 1 1049 . 1 1 97 97 VAL HG21 H 1 0.966 0.0 . 2 . . . . . 97 VAL HG2 . 16248 1 1050 . 1 1 97 97 VAL HG22 H 1 0.966 0.0 . 2 . . . . . 97 VAL HG2 . 16248 1 1051 . 1 1 97 97 VAL HG23 H 1 0.966 0.0 . 2 . . . . . 97 VAL HG2 . 16248 1 1052 . 1 1 97 97 VAL CG1 C 13 21.161 0.0 . 2 . . . . . 97 VAL CG1 . 16248 1 1053 . 1 1 97 97 VAL CG2 C 13 19.402 0.0 . 2 . . . . . 97 VAL CG2 . 16248 1 1054 . 1 1 97 97 VAL C C 13 174.693 0.0 . 1 . . . . . 97 VAL C . 16248 1 1055 . 1 1 98 98 THR N N 15 110.438 0.0 . 1 . . . . . 98 THR N . 16248 1 1056 . 1 1 98 98 THR H H 1 8.168 0.0 . 1 . . . . . 98 THR H . 16248 1 1057 . 1 1 98 98 THR CA C 13 63.957 0.0 . 1 . . . . . 98 THR CA . 16248 1 1058 . 1 1 98 98 THR HA H 1 4.474 0.0 . 1 . . . . . 98 THR HA . 16248 1 1059 . 1 1 98 98 THR CB C 13 70.406 0.0 . 1 . . . . . 98 THR CB . 16248 1 1060 . 1 1 98 98 THR HB H 1 4.003 0.0 . 1 . . . . . 98 THR HB . 16248 1 1061 . 1 1 98 98 THR HG22 H 1 0.967 0.0 . 1 . . . . . 98 THR HG2 . 16248 1 1062 . 1 1 98 98 THR HG23 H 1 0.967 0.0 . 1 . . . . . 98 THR HG2 . 16248 1 1063 . 1 1 98 98 THR HG21 H 1 0.967 0.0 . 1 . . . . . 98 THR HG2 . 16248 1 1064 . 1 1 98 98 THR CG2 C 13 22.334 0.0 . 1 . . . . . 98 THR CG2 . 16248 1 1065 . 1 1 98 98 THR C C 13 175.212 0.0 . 1 . . . . . 98 THR C . 16248 1 1066 . 1 1 99 99 VAL N N 15 126.686 0.0 . 1 . . . . . 99 VAL N . 16248 1 1067 . 1 1 99 99 VAL H H 1 8.527 0.0 . 1 . . . . . 99 VAL H . 16248 1 1068 . 1 1 99 99 VAL CA C 13 61.612 0.0 . 1 . . . . . 99 VAL CA . 16248 1 1069 . 1 1 99 99 VAL HA H 1 4.26 0.0 . 1 . . . . . 99 VAL HA . 16248 1 1070 . 1 1 99 99 VAL CB C 13 32.886 0.0 . 1 . . . . . 99 VAL CB . 16248 1 1071 . 1 1 99 99 VAL HB H 1 2.583 0.0 . 1 . . . . . 99 VAL HB . 16248 1 1072 . 1 1 99 99 VAL HG11 H 1 1.154 0.0 . 2 . . . . . 99 VAL HG1 . 16248 1 1073 . 1 1 99 99 VAL HG12 H 1 1.154 0.0 . 2 . . . . . 99 VAL HG1 . 16248 1 1074 . 1 1 99 99 VAL HG13 H 1 1.154 0.0 . 2 . . . . . 99 VAL HG1 . 16248 1 1075 . 1 1 99 99 VAL HG21 H 1 1.06 0.0 . 2 . . . . . 99 VAL HG2 . 16248 1 1076 . 1 1 99 99 VAL HG22 H 1 1.06 0.0 . 2 . . . . . 99 VAL HG2 . 16248 1 1077 . 1 1 99 99 VAL HG23 H 1 1.06 0.0 . 2 . . . . . 99 VAL HG2 . 16248 1 1078 . 1 1 99 99 VAL CG1 C 13 20.575 0.0 . 2 . . . . . 99 VAL CG1 . 16248 1 1079 . 1 1 99 99 VAL CG2 C 13 23.506 0.0 . 2 . . . . . 99 VAL CG2 . 16248 1 1080 . 1 1 99 99 VAL C C 13 176.949 0.0 . 1 . . . . . 99 VAL C . 16248 1 1081 . 1 1 100 100 SER N N 15 128.635 0.0 . 1 . . . . . 100 SER N . 16248 1 1082 . 1 1 100 100 SER H H 1 11.637 0.0 . 1 . . . . . 100 SER H . 16248 1 1083 . 1 1 100 100 SER CA C 13 61.026 0.0 . 1 . . . . . 100 SER CA . 16248 1 1084 . 1 1 100 100 SER HA H 1 5.181 0.0 . 1 . . . . . 100 SER HA . 16248 1 1085 . 1 1 100 100 SER CB C 13 63.957 0.0 . 1 . . . . . 100 SER CB . 16248 1 1086 . 1 1 100 100 SER HB2 H 1 4.057 0.0 . 2 . . . . . 100 SER HB2 . 16248 1 1087 . 1 1 100 100 SER HB3 H 1 3.482 0.0 . 2 . . . . . 100 SER HB3 . 16248 1 1088 . 1 1 100 100 SER C C 13 175.48 0.0 . 1 . . . . . 100 SER C . 16248 1 1089 . 1 1 101 101 ARG N N 15 126.787 0.0 . 1 . . . . . 101 ARG N . 16248 1 1090 . 1 1 101 101 ARG H H 1 10.867 0.0 . 1 . . . . . 101 ARG H . 16248 1 1091 . 1 1 101 101 ARG CA C 13 61.026 0.0 . 1 . . . . . 101 ARG CA . 16248 1 1092 . 1 1 101 101 ARG HA H 1 3.734 0.0 . 1 . . . . . 101 ARG HA . 16248 1 1093 . 1 1 101 101 ARG CB C 13 28.782 0.0 . 1 . . . . . 101 ARG CB . 16248 1 1094 . 1 1 101 101 ARG HB2 H 1 2.037 0.0 . 2 . . . . . 101 ARG HB2 . 16248 1 1095 . 1 1 101 101 ARG HB3 H 1 2.011 0.0 . 2 . . . . . 101 ARG HB3 . 16248 1 1096 . 1 1 101 101 ARG CG C 13 28.196 0.0 . 1 . . . . . 101 ARG CG . 16248 1 1097 . 1 1 101 101 ARG HG2 H 1 1.825 0.0 . 2 . . . . . 101 ARG HG2 . 16248 1 1098 . 1 1 101 101 ARG HG3 H 1 1.757 0.0 . 2 . . . . . 101 ARG HG3 . 16248 1 1099 . 1 1 101 101 ARG CD C 13 43.439 0.0 . 1 . . . . . 101 ARG CD . 16248 1 1100 . 1 1 101 101 ARG HD2 H 1 3.195 0.0 . 2 . . . . . 101 ARG HD2 . 16248 1 1101 . 1 1 101 101 ARG HD3 H 1 2.882 0.0 . 2 . . . . . 101 ARG HD3 . 16248 1 1102 . 1 1 101 101 ARG NE N 15 115.198 0.0 . 1 . . . . . 101 ARG NE . 16248 1 1103 . 1 1 101 101 ARG HE H 1 6.778 0.0 . 1 . . . . . 101 ARG HE . 16248 1 1104 . 1 1 101 101 ARG C C 13 177.063 0.0 . 1 . . . . . 101 ARG C . 16248 1 1105 . 1 1 102 102 ARG N N 15 115.65 0.0 . 1 . . . . . 102 ARG N . 16248 1 1106 . 1 1 102 102 ARG H H 1 7.892 0.0 . 1 . . . . . 102 ARG H . 16248 1 1107 . 1 1 102 102 ARG CA C 13 53.991 0.0 . 1 . . . . . 102 ARG CA . 16248 1 1108 . 1 1 102 102 ARG HA H 1 4.077 0.0 . 1 . . . . . 102 ARG HA . 16248 1 1109 . 1 1 102 102 ARG CB C 13 30.541 0.0 . 1 . . . . . 102 ARG CB . 16248 1 1110 . 1 1 102 102 ARG HB2 H 1 1.488 0.0 . 2 . . . . . 102 ARG HB2 . 16248 1 1111 . 1 1 102 102 ARG HB3 H 1 1.359 0.0 . 2 . . . . . 102 ARG HB3 . 16248 1 1112 . 1 1 102 102 ARG CG C 13 25.851 0.0 . 1 . . . . . 102 ARG CG . 16248 1 1113 . 1 1 102 102 ARG HG2 H 1 1.424 0.0 . 2 . . . . . 102 ARG HG2 . 16248 1 1114 . 1 1 102 102 ARG HG3 H 1 1.338 0.0 . 2 . . . . . 102 ARG HG3 . 16248 1 1115 . 1 1 102 102 ARG CD C 13 42.852 0.0 . 1 . . . . . 102 ARG CD . 16248 1 1116 . 1 1 102 102 ARG HD2 H 1 3.061 0.0 . 2 . . . . . 102 ARG HD2 . 16248 1 1117 . 1 1 102 102 ARG HD3 H 1 3.059 0.0 . 2 . . . . . 102 ARG HD3 . 16248 1 1118 . 1 1 102 102 ARG NE N 15 114.955 0.0 . 1 . . . . . 102 ARG NE . 16248 1 1119 . 1 1 102 102 ARG HE H 1 7.465 0.0 . 1 . . . . . 102 ARG HE . 16248 1 1120 . 1 1 102 102 ARG C C 13 172.923 0.0 . 1 . . . . . 102 ARG C . 16248 1 1121 . 1 1 103 103 HIS N N 15 124.084 0.0 . 1 . . . . . 103 HIS N . 16248 1 1122 . 1 1 103 103 HIS H H 1 7.587 0.0 . 1 . . . . . 103 HIS H . 16248 1 1123 . 1 1 103 103 HIS CA C 13 58.095 0.0 . 1 . . . . . 103 HIS CA . 16248 1 1124 . 1 1 103 103 HIS HA H 1 4.418 0.0 . 1 . . . . . 103 HIS HA . 16248 1 1125 . 1 1 103 103 HIS CB C 13 34.645 0.0 . 1 . . . . . 103 HIS CB . 16248 1 1126 . 1 1 103 103 HIS HB2 H 1 3.252 0.0 . 2 . . . . . 103 HIS HB2 . 16248 1 1127 . 1 1 103 103 HIS HB3 H 1 3.179 0.0 . 2 . . . . . 103 HIS HB3 . 16248 1 1128 . 1 1 103 103 HIS ND1 N 15 106.214 0.0 . 1 . . . . . 103 HIS ND1 . 16248 1 1129 . 1 1 103 103 HIS CD2 C 13 130.057 0.0 . 1 . . . . . 103 HIS CD2 . 16248 1 1130 . 1 1 103 103 HIS HD1 H 1 10.86 0.0 . 1 . . . . . 103 HIS HD1 . 16248 1 1131 . 1 1 103 103 HIS CE1 C 13 117.399 0.0 . 1 . . . . . 103 HIS CE1 . 16248 1 1132 . 1 1 103 103 HIS HD2 H 1 6.786 0.0 . 1 . . . . . 103 HIS HD2 . 16248 1 1133 . 1 1 103 103 HIS HE1 H 1 6.747 0.0 . 1 . . . . . 103 HIS HE1 . 16248 1 1134 . 1 1 103 103 HIS C C 13 173.551 0.0 . 1 . . . . . 103 HIS C . 16248 1 1135 . 1 1 104 104 ALA N N 15 116.58 0.0 . 1 . . . . . 104 ALA N . 16248 1 1136 . 1 1 104 104 ALA H H 1 8.439 0.0 . 1 . . . . . 104 ALA H . 16248 1 1137 . 1 1 104 104 ALA CA C 13 50.474 0.0 . 1 . . . . . 104 ALA CA . 16248 1 1138 . 1 1 104 104 ALA HA H 1 5.556 0.0 . 1 . . . . . 104 ALA HA . 16248 1 1139 . 1 1 104 104 ALA HB3 H 1 1.122 0.0 . 1 . . . . . 104 ALA HB . 16248 1 1140 . 1 1 104 104 ALA HB1 H 1 1.122 0.0 . 1 . . . . . 104 ALA HB . 16248 1 1141 . 1 1 104 104 ALA HB2 H 1 1.122 0.0 . 1 . . . . . 104 ALA HB . 16248 1 1142 . 1 1 104 104 ALA CB C 13 22.92 0.0 . 1 . . . . . 104 ALA CB . 16248 1 1143 . 1 1 104 104 ALA C C 13 176.398 0.0 . 1 . . . . . 104 ALA C . 16248 1 1144 . 1 1 105 105 GLU N N 15 117.981 0.0 . 1 . . . . . 105 GLU N . 16248 1 1145 . 1 1 105 105 GLU H H 1 9.009 0.0 . 1 . . . . . 105 GLU H . 16248 1 1146 . 1 1 105 105 GLU CA C 13 54.577 0.0 . 1 . . . . . 105 GLU CA . 16248 1 1147 . 1 1 105 105 GLU HA H 1 4.985 0.0 . 1 . . . . . 105 GLU HA . 16248 1 1148 . 1 1 105 105 GLU CB C 13 34.645 0.0 . 1 . . . . . 105 GLU CB . 16248 1 1149 . 1 1 105 105 GLU HB2 H 1 1.651 0.0 . 2 . . . . . 105 GLU HB2 . 16248 1 1150 . 1 1 105 105 GLU HB3 H 1 1.581 0.0 . 2 . . . . . 105 GLU HB3 . 16248 1 1151 . 1 1 105 105 GLU CG C 13 36.99 0.0 . 1 . . . . . 105 GLU CG . 16248 1 1152 . 1 1 105 105 GLU HG2 H 1 2.135 0.0 . 2 . . . . . 105 GLU HG2 . 16248 1 1153 . 1 1 105 105 GLU HG3 H 1 1.993 0.0 . 2 . . . . . 105 GLU HG3 . 16248 1 1154 . 1 1 105 105 GLU C C 13 174.117 0.0 . 1 . . . . . 105 GLU C . 16248 1 1155 . 1 1 106 106 PHE N N 15 119.943 0.0 . 1 . . . . . 106 PHE N . 16248 1 1156 . 1 1 106 106 PHE H H 1 9.365 0.0 . 1 . . . . . 106 PHE H . 16248 1 1157 . 1 1 106 106 PHE CA C 13 56.336 0.0 . 1 . . . . . 106 PHE CA . 16248 1 1158 . 1 1 106 106 PHE HA H 1 4.727 0.0 . 1 . . . . . 106 PHE HA . 16248 1 1159 . 1 1 106 106 PHE CB C 13 41.094 0.0 . 1 . . . . . 106 PHE CB . 16248 1 1160 . 1 1 106 106 PHE HB2 H 1 2.933 0.0 . 2 . . . . . 106 PHE HB2 . 16248 1 1161 . 1 1 106 106 PHE HB3 H 1 2.528 0.0 . 2 . . . . . 106 PHE HB3 . 16248 1 1162 . 1 1 106 106 PHE CD1 C 13 132.026 0.0 . 3 . . . . . 106 PHE CD1 . 16248 1 1163 . 1 1 106 106 PHE HD1 H 1 7.049 0.0 . 3 . . . . . 106 PHE HD1 . 16248 1 1164 . 1 1 106 106 PHE CD2 C 13 132.026 0.0 . 3 . . . . . 106 PHE CD2 . 16248 1 1165 . 1 1 106 106 PHE HD2 H 1 7.049 0.0 . 3 . . . . . 106 PHE HD2 . 16248 1 1166 . 1 1 106 106 PHE C C 13 176.592 0.0 . 1 . . . . . 106 PHE C . 16248 1 1167 . 1 1 107 107 ARG N N 15 126.266 0.0 . 1 . . . . . 107 ARG N . 16248 1 1168 . 1 1 107 107 ARG H H 1 9.662 0.0 . 1 . . . . . 107 ARG H . 16248 1 1169 . 1 1 107 107 ARG HA H 1 5.401 0.0 . 1 . . . . . 107 ARG HA . 16248 1 1170 . 1 1 107 107 ARG HB2 H 1 1.7 0.0 . 2 . . . . . 107 ARG HB2 . 16248 1 1171 . 1 1 107 107 ARG HB3 H 1 1.7 0.0 . 2 . . . . . 107 ARG HB3 . 16248 1 1172 . 1 1 107 107 ARG HG2 H 1 1.465 0.0 . 2 . . . . . 107 ARG HG2 . 16248 1 1173 . 1 1 107 107 ARG HG3 H 1 1.465 0.0 . 2 . . . . . 107 ARG HG3 . 16248 1 1174 . 1 1 107 107 ARG HD2 H 1 3.02 0.0 . 2 . . . . . 107 ARG HD2 . 16248 1 1175 . 1 1 107 107 ARG HD3 H 1 3.02 0.0 . 2 . . . . . 107 ARG HD3 . 16248 1 1176 . 1 1 107 107 ARG NE N 15 114.955 0.0 . 1 . . . . . 107 ARG NE . 16248 1 1177 . 1 1 107 107 ARG HE H 1 7.149 0.0 . 1 . . . . . 107 ARG HE . 16248 1 1178 . 1 1 107 107 ARG C C 13 174.328 0.0 . 1 . . . . . 107 ARG C . 16248 1 1179 . 1 1 108 108 LEU N N 15 128.257 0.0 . 1 . . . . . 108 LEU N . 16248 1 1180 . 1 1 108 108 LEU H H 1 8.926 0.0 . 1 . . . . . 108 LEU H . 16248 1 1181 . 1 1 108 108 LEU CA C 13 53.991 0.0 . 1 . . . . . 108 LEU CA . 16248 1 1182 . 1 1 108 108 LEU HA H 1 4.427 0.0 . 1 . . . . . 108 LEU HA . 16248 1 1183 . 1 1 108 108 LEU CB C 13 42.852 0.0 . 1 . . . . . 108 LEU CB . 16248 1 1184 . 1 1 108 108 LEU HB2 H 1 1.648 0.0 . 2 . . . . . 108 LEU HB2 . 16248 1 1185 . 1 1 108 108 LEU HB3 H 1 0.938 0.0 . 2 . . . . . 108 LEU HB3 . 16248 1 1186 . 1 1 108 108 LEU CG C 13 27.024 0.0 . 1 . . . . . 108 LEU CG . 16248 1 1187 . 1 1 108 108 LEU HG H 1 0.908 0.0 . 1 . . . . . 108 LEU HG . 16248 1 1188 . 1 1 108 108 LEU HD13 H 1 0.479 0.0 . 2 . . . . . 108 LEU HD1 . 16248 1 1189 . 1 1 108 108 LEU HD11 H 1 0.479 0.0 . 2 . . . . . 108 LEU HD1 . 16248 1 1190 . 1 1 108 108 LEU HD12 H 1 0.479 0.0 . 2 . . . . . 108 LEU HD1 . 16248 1 1191 . 1 1 108 108 LEU HD23 H 1 -0.185 0.0 . 2 . . . . . 108 LEU HD2 . 16248 1 1192 . 1 1 108 108 LEU HD22 H 1 -0.185 0.0 . 2 . . . . . 108 LEU HD2 . 16248 1 1193 . 1 1 108 108 LEU HD21 H 1 -0.185 0.0 . 2 . . . . . 108 LEU HD2 . 16248 1 1194 . 1 1 108 108 LEU CD1 C 13 24.679 0.0 . 2 . . . . . 108 LEU CD1 . 16248 1 1195 . 1 1 108 108 LEU CD2 C 13 21.161 0.0 . 2 . . . . . 108 LEU CD2 . 16248 1 1196 . 1 1 108 108 LEU C C 13 176.081 0.0 . 1 . . . . . 108 LEU C . 16248 1 1197 . 1 1 109 109 GLU N N 15 128.222 0.0 . 1 . . . . . 109 GLU N . 16248 1 1198 . 1 1 109 109 GLU H H 1 8.755 0.0 . 1 . . . . . 109 GLU H . 16248 1 1199 . 1 1 109 109 GLU CA C 13 55.75 0.0 . 1 . . . . . 109 GLU CA . 16248 1 1200 . 1 1 109 109 GLU HA H 1 4.427 0.0 . 1 . . . . . 109 GLU HA . 16248 1 1201 . 1 1 109 109 GLU CB C 13 32.3 0.0 . 1 . . . . . 109 GLU CB . 16248 1 1202 . 1 1 109 109 GLU HB2 H 1 1.796 0.0 . 2 . . . . . 109 GLU HB2 . 16248 1 1203 . 1 1 109 109 GLU HB3 H 1 1.74 0.0 . 2 . . . . . 109 GLU HB3 . 16248 1 1204 . 1 1 109 109 GLU CG C 13 35.817 0.0 . 1 . . . . . 109 GLU CG . 16248 1 1205 . 1 1 109 109 GLU HG2 H 1 2.057 0.0 . 2 . . . . . 109 GLU HG2 . 16248 1 1206 . 1 1 109 109 GLU HG3 H 1 2.017 0.0 . 2 . . . . . 109 GLU HG3 . 16248 1 1207 . 1 1 109 109 GLU C C 13 175.854 0.0 . 1 . . . . . 109 GLU C . 16248 1 1208 . 1 1 110 110 ASN N N 15 124.687 0.0 . 1 . . . . . 110 ASN N . 16248 1 1209 . 1 1 110 110 ASN H H 1 9.347 0.0 . 1 . . . . . 110 ASN H . 16248 1 1210 . 1 1 110 110 ASN CA C 13 54.577 0.0 . 1 . . . . . 110 ASN CA . 16248 1 1211 . 1 1 110 110 ASN HA H 1 4.186 0.0 . 1 . . . . . 110 ASN HA . 16248 1 1212 . 1 1 110 110 ASN CB C 13 36.99 0.0 . 1 . . . . . 110 ASN CB . 16248 1 1213 . 1 1 110 110 ASN HB2 H 1 2.935 0.0 . 2 . . . . . 110 ASN HB2 . 16248 1 1214 . 1 1 110 110 ASN HB3 H 1 2.699 0.0 . 2 . . . . . 110 ASN HB3 . 16248 1 1215 . 1 1 110 110 ASN ND2 N 15 113.984 0.0 . 1 . . . . . 110 ASN ND2 . 16248 1 1216 . 1 1 110 110 ASN HD21 H 1 7.641 0.0 . 2 . . . . . 110 ASN HD21 . 16248 1 1217 . 1 1 110 110 ASN HD22 H 1 6.794 0.0 . 2 . . . . . 110 ASN HD22 . 16248 1 1218 . 1 1 110 110 ASN C C 13 174.303 0.0 . 1 . . . . . 110 ASN C . 16248 1 1219 . 1 1 111 111 ASN N N 15 108.773 0.0 . 1 . . . . . 111 ASN N . 16248 1 1220 . 1 1 111 111 ASN H H 1 8.578 0.0 . 1 . . . . . 111 ASN H . 16248 1 1221 . 1 1 111 111 ASN CA C 13 54.577 0.0 . 1 . . . . . 111 ASN CA . 16248 1 1222 . 1 1 111 111 ASN HA H 1 3.99 0.0 . 1 . . . . . 111 ASN HA . 16248 1 1223 . 1 1 111 111 ASN CB C 13 38.162 0.0 . 1 . . . . . 111 ASN CB . 16248 1 1224 . 1 1 111 111 ASN HB2 H 1 3.004 0.0 . 2 . . . . . 111 ASN HB2 . 16248 1 1225 . 1 1 111 111 ASN HB3 H 1 2.898 0.0 . 2 . . . . . 111 ASN HB3 . 16248 1 1226 . 1 1 111 111 ASN ND2 N 15 113.012 0.0 . 1 . . . . . 111 ASN ND2 . 16248 1 1227 . 1 1 111 111 ASN HD21 H 1 7.461 0.0 . 2 . . . . . 111 ASN HD21 . 16248 1 1228 . 1 1 111 111 ASN HD22 H 1 6.778 0.0 . 2 . . . . . 111 ASN HD22 . 16248 1 1229 . 1 1 111 111 ASN C C 13 173.175 0.0 . 1 . . . . . 111 ASN C . 16248 1 1230 . 1 1 112 112 GLU N N 15 118.478 0.0 . 1 . . . . . 112 GLU N . 16248 1 1231 . 1 1 112 112 GLU H H 1 7.607 0.0 . 1 . . . . . 112 GLU H . 16248 1 1232 . 1 1 112 112 GLU CA C 13 54.577 0.0 . 1 . . . . . 112 GLU CA . 16248 1 1233 . 1 1 112 112 GLU HA H 1 4.648 0.0 . 1 . . . . . 112 GLU HA . 16248 1 1234 . 1 1 112 112 GLU CB C 13 32.886 0.0 . 1 . . . . . 112 GLU CB . 16248 1 1235 . 1 1 112 112 GLU HB2 H 1 2.053 0.0 . 2 . . . . . 112 GLU HB2 . 16248 1 1236 . 1 1 112 112 GLU HB3 H 1 1.886 0.0 . 2 . . . . . 112 GLU HB3 . 16248 1 1237 . 1 1 112 112 GLU CG C 13 35.231 0.0 . 1 . . . . . 112 GLU CG . 16248 1 1238 . 1 1 112 112 GLU HG2 H 1 2.261 0.0 . 2 . . . . . 112 GLU HG2 . 16248 1 1239 . 1 1 112 112 GLU HG3 H 1 2.254 0.0 . 2 . . . . . 112 GLU HG3 . 16248 1 1240 . 1 1 112 112 GLU C C 13 174.376 0.0 . 1 . . . . . 112 GLU C . 16248 1 1241 . 1 1 113 113 PHE N N 15 121.436 0.0 . 1 . . . . . 113 PHE N . 16248 1 1242 . 1 1 113 113 PHE H H 1 9.625 0.0 . 1 . . . . . 113 PHE H . 16248 1 1243 . 1 1 113 113 PHE CA C 13 58.681 0.0 . 1 . . . . . 113 PHE CA . 16248 1 1244 . 1 1 113 113 PHE HA H 1 4.962 0.0 . 1 . . . . . 113 PHE HA . 16248 1 1245 . 1 1 113 113 PHE CB C 13 41.68 0.0 . 1 . . . . . 113 PHE CB . 16248 1 1246 . 1 1 113 113 PHE HB2 H 1 2.939 0.0 . 2 . . . . . 113 PHE HB2 . 16248 1 1247 . 1 1 113 113 PHE HB3 H 1 2.508 0.0 . 2 . . . . . 113 PHE HB3 . 16248 1 1248 . 1 1 113 113 PHE CD1 C 13 132.026 0.0 . 3 . . . . . 113 PHE CD1 . 16248 1 1249 . 1 1 113 113 PHE HD1 H 1 7.167 0.0 . 3 . . . . . 113 PHE HD1 . 16248 1 1250 . 1 1 113 113 PHE CE1 C 13 132.026 0.0 . 3 . . . . . 113 PHE CE1 . 16248 1 1251 . 1 1 113 113 PHE HE1 H 1 7.03 0.0 . 3 . . . . . 113 PHE HE1 . 16248 1 1252 . 1 1 113 113 PHE CE2 C 13 132.026 0.0 . 3 . . . . . 113 PHE CE2 . 16248 1 1253 . 1 1 113 113 PHE HE2 H 1 7.03 0.0 . 3 . . . . . 113 PHE HE2 . 16248 1 1254 . 1 1 113 113 PHE CD2 C 13 132.026 0.0 . 3 . . . . . 113 PHE CD2 . 16248 1 1255 . 1 1 113 113 PHE HD2 H 1 7.167 0.0 . 3 . . . . . 113 PHE HD2 . 16248 1 1256 . 1 1 113 113 PHE C C 13 174.563 0.0 . 1 . . . . . 113 PHE C . 16248 1 1257 . 1 1 114 114 ASN N N 15 119.558 0.0 . 1 . . . . . 114 ASN N . 16248 1 1258 . 1 1 114 114 ASN H H 1 9.174 0.0 . 1 . . . . . 114 ASN H . 16248 1 1259 . 1 1 114 114 ASN CA C 13 51.06 0.0 . 1 . . . . . 114 ASN CA . 16248 1 1260 . 1 1 114 114 ASN HA H 1 5.563 0.0 . 1 . . . . . 114 ASN HA . 16248 1 1261 . 1 1 114 114 ASN CB C 13 42.266 0.0 . 1 . . . . . 114 ASN CB . 16248 1 1262 . 1 1 114 114 ASN HB2 H 1 2.534 0.0 . 2 . . . . . 114 ASN HB2 . 16248 1 1263 . 1 1 114 114 ASN HB3 H 1 2.253 0.0 . 2 . . . . . 114 ASN HB3 . 16248 1 1264 . 1 1 114 114 ASN ND2 N 15 110.341 0.0 . 1 . . . . . 114 ASN ND2 . 16248 1 1265 . 1 1 114 114 ASN HD21 H 1 6.698 0.0 . 2 . . . . . 114 ASN HD21 . 16248 1 1266 . 1 1 114 114 ASN HD22 H 1 6.609 0.0 . 2 . . . . . 114 ASN HD22 . 16248 1 1267 . 1 1 114 114 ASN C C 13 174.936 0.0 . 1 . . . . . 114 ASN C . 16248 1 1268 . 1 1 115 115 VAL N N 15 121.31 0.0 . 1 . . . . . 115 VAL N . 16248 1 1269 . 1 1 115 115 VAL H H 1 9.011 0.0 . 1 . . . . . 115 VAL H . 16248 1 1270 . 1 1 115 115 VAL CA C 13 58.681 0.0 . 1 . . . . . 115 VAL CA . 16248 1 1271 . 1 1 115 115 VAL HA H 1 4.88 0.0 . 1 . . . . . 115 VAL HA . 16248 1 1272 . 1 1 115 115 VAL CB C 13 34.059 0.0 . 1 . . . . . 115 VAL CB . 16248 1 1273 . 1 1 115 115 VAL HB H 1 1.607 0.0 . 1 . . . . . 115 VAL HB . 16248 1 1274 . 1 1 115 115 VAL HG11 H 1 0.728 0.0 . 2 . . . . . 115 VAL HG1 . 16248 1 1275 . 1 1 115 115 VAL HG12 H 1 0.728 0.0 . 2 . . . . . 115 VAL HG1 . 16248 1 1276 . 1 1 115 115 VAL HG13 H 1 0.728 0.0 . 2 . . . . . 115 VAL HG1 . 16248 1 1277 . 1 1 115 115 VAL HG21 H 1 0.084 0.0 . 2 . . . . . 115 VAL HG2 . 16248 1 1278 . 1 1 115 115 VAL HG22 H 1 0.084 0.0 . 2 . . . . . 115 VAL HG2 . 16248 1 1279 . 1 1 115 115 VAL HG23 H 1 0.084 0.0 . 2 . . . . . 115 VAL HG2 . 16248 1 1280 . 1 1 115 115 VAL CG1 C 13 19.402 0.0 . 2 . . . . . 115 VAL CG1 . 16248 1 1281 . 1 1 115 115 VAL CG2 C 13 22.92 0.0 . 2 . . . . . 115 VAL CG2 . 16248 1 1282 . 1 1 115 115 VAL C C 13 171.673 0.0 . 1 . . . . . 115 VAL C . 16248 1 1283 . 1 1 116 116 VAL N N 15 125.613 0.0 . 1 . . . . . 116 VAL N . 16248 1 1284 . 1 1 116 116 VAL H H 1 8.605 0.0 . 1 . . . . . 116 VAL H . 16248 1 1285 . 1 1 116 116 VAL CA C 13 59.854 0.0 . 1 . . . . . 116 VAL CA . 16248 1 1286 . 1 1 116 116 VAL HA H 1 4.575 0.0 . 1 . . . . . 116 VAL HA . 16248 1 1287 . 1 1 116 116 VAL CB C 13 35.817 0.0 . 1 . . . . . 116 VAL CB . 16248 1 1288 . 1 1 116 116 VAL HB H 1 1.693 0.0 . 1 . . . . . 116 VAL HB . 16248 1 1289 . 1 1 116 116 VAL HG11 H 1 0.737 0.0 . 2 . . . . . 116 VAL HG1 . 16248 1 1290 . 1 1 116 116 VAL HG12 H 1 0.737 0.0 . 2 . . . . . 116 VAL HG1 . 16248 1 1291 . 1 1 116 116 VAL HG13 H 1 0.737 0.0 . 2 . . . . . 116 VAL HG1 . 16248 1 1292 . 1 1 116 116 VAL HG21 H 1 0.729 0.0 . 2 . . . . . 116 VAL HG2 . 16248 1 1293 . 1 1 116 116 VAL HG22 H 1 0.729 0.0 . 2 . . . . . 116 VAL HG2 . 16248 1 1294 . 1 1 116 116 VAL HG23 H 1 0.729 0.0 . 2 . . . . . 116 VAL HG2 . 16248 1 1295 . 1 1 116 116 VAL CG1 C 13 20.575 0.0 . 2 . . . . . 116 VAL CG1 . 16248 1 1296 . 1 1 116 116 VAL CG2 C 13 20.575 0.0 . 2 . . . . . 116 VAL CG2 . 16248 1 1297 . 1 1 116 116 VAL C C 13 175.594 0.0 . 1 . . . . . 116 VAL C . 16248 1 1298 . 1 1 117 117 ASP N N 15 126.881 0.0 . 1 . . . . . 117 ASP N . 16248 1 1299 . 1 1 117 117 ASP H H 1 8.447 0.0 . 1 . . . . . 117 ASP H . 16248 1 1300 . 1 1 117 117 ASP CA C 13 54.577 0.0 . 1 . . . . . 117 ASP CA . 16248 1 1301 . 1 1 117 117 ASP HA H 1 4.819 0.0 . 1 . . . . . 117 ASP HA . 16248 1 1302 . 1 1 117 117 ASP CB C 13 43.439 0.0 . 1 . . . . . 117 ASP CB . 16248 1 1303 . 1 1 117 117 ASP HB2 H 1 2.991 0.0 . 2 . . . . . 117 ASP HB2 . 16248 1 1304 . 1 1 117 117 ASP HB3 H 1 2.37 0.0 . 2 . . . . . 117 ASP HB3 . 16248 1 1305 . 1 1 117 117 ASP C C 13 177.274 0.0 . 1 . . . . . 117 ASP C . 16248 1 1306 . 1 1 118 118 VAL N N 15 119.783 0.0 . 1 . . . . . 118 VAL N . 16248 1 1307 . 1 1 118 118 VAL H H 1 7.941 0.0 . 1 . . . . . 118 VAL H . 16248 1 1308 . 1 1 118 118 VAL CA C 13 60.44 0.0 . 1 . . . . . 118 VAL CA . 16248 1 1309 . 1 1 118 118 VAL HA H 1 4.537 0.0 . 1 . . . . . 118 VAL HA . 16248 1 1310 . 1 1 118 118 VAL CB C 13 29.369 0.0 . 1 . . . . . 118 VAL CB . 16248 1 1311 . 1 1 118 118 VAL HB H 1 2.325 0.0 . 1 . . . . . 118 VAL HB . 16248 1 1312 . 1 1 118 118 VAL HG11 H 1 0.609 0.0 . 2 . . . . . 118 VAL HG1 . 16248 1 1313 . 1 1 118 118 VAL HG12 H 1 0.609 0.0 . 2 . . . . . 118 VAL HG1 . 16248 1 1314 . 1 1 118 118 VAL HG13 H 1 0.609 0.0 . 2 . . . . . 118 VAL HG1 . 16248 1 1315 . 1 1 118 118 VAL HG21 H 1 0.383 0.0 . 2 . . . . . 118 VAL HG2 . 16248 1 1316 . 1 1 118 118 VAL HG22 H 1 0.383 0.0 . 2 . . . . . 118 VAL HG2 . 16248 1 1317 . 1 1 118 118 VAL HG23 H 1 0.383 0.0 . 2 . . . . . 118 VAL HG2 . 16248 1 1318 . 1 1 118 118 VAL CG1 C 13 21.161 0.0 . 2 . . . . . 118 VAL CG1 . 16248 1 1319 . 1 1 118 118 VAL CG2 C 13 18.23 0.0 . 2 . . . . . 118 VAL CG2 . 16248 1 1320 . 1 1 118 118 VAL C C 13 174.328 0.0 . 1 . . . . . 118 VAL C . 16248 1 1321 . 1 1 119 119 GLY N N 15 111.585 0.0 . 1 . . . . . 119 GLY N . 16248 1 1322 . 1 1 119 119 GLY H H 1 8.615 0.0 . 1 . . . . . 119 GLY H . 16248 1 1323 . 1 1 119 119 GLY CA C 13 45.197 0.0 . 1 . . . . . 119 GLY CA . 16248 1 1324 . 1 1 119 119 GLY HA2 H 1 4.264 0.0 . 1 . . . . . 119 GLY HA1 . 16248 1 1325 . 1 1 119 119 GLY HA3 H 1 3.688 0.0 . 2 . . . . . 119 GLY HA2 . 16248 1 1326 . 1 1 119 119 GLY C C 13 175.505 0.0 . 1 . . . . . 119 GLY C . 16248 1 1327 . 1 1 120 120 SER N N 15 121.641 0.0 . 1 . . . . . 120 SER N . 16248 1 1328 . 1 1 120 120 SER H H 1 9.214 0.0 . 1 . . . . . 120 SER H . 16248 1 1329 . 1 1 120 120 SER CA C 13 58.095 0.0 . 1 . . . . . 120 SER CA . 16248 1 1330 . 1 1 120 120 SER HA H 1 3.885 0.0 . 1 . . . . . 120 SER HA . 16248 1 1331 . 1 1 120 120 SER CB C 13 61.026 0.0 . 1 . . . . . 120 SER CB . 16248 1 1332 . 1 1 120 120 SER HB2 H 1 3.376 0.0 . 2 . . . . . 120 SER HB2 . 16248 1 1333 . 1 1 120 120 SER HB3 H 1 2.943 0.0 . 2 . . . . . 120 SER HB3 . 16248 1 1334 . 1 1 120 120 SER C C 13 176.04 0.0 . 1 . . . . . 120 SER C . 16248 1 1335 . 1 1 121 121 LEU N N 15 121.441 0.0 . 1 . . . . . 121 LEU N . 16248 1 1336 . 1 1 121 121 LEU H H 1 8.014 0.0 . 1 . . . . . 121 LEU H . 16248 1 1337 . 1 1 121 121 LEU CA C 13 57.509 0.0 . 1 . . . . . 121 LEU CA . 16248 1 1338 . 1 1 121 121 LEU HA H 1 4.241 0.0 . 1 . . . . . 121 LEU HA . 16248 1 1339 . 1 1 121 121 LEU CB C 13 41.68 0.0 . 1 . . . . . 121 LEU CB . 16248 1 1340 . 1 1 121 121 LEU HB2 H 1 1.779 0.0 . 2 . . . . . 121 LEU HB2 . 16248 1 1341 . 1 1 121 121 LEU HB3 H 1 1.694 0.0 . 2 . . . . . 121 LEU HB3 . 16248 1 1342 . 1 1 121 121 LEU HD12 H 1 0.896 0.0 . 2 . . . . . 121 LEU HD1 . 16248 1 1343 . 1 1 121 121 LEU HD11 H 1 0.896 0.0 . 2 . . . . . 121 LEU HD1 . 16248 1 1344 . 1 1 121 121 LEU HD13 H 1 0.896 0.0 . 2 . . . . . 121 LEU HD1 . 16248 1 1345 . 1 1 121 121 LEU HD21 H 1 0.674 0.0 . 2 . . . . . 121 LEU HD2 . 16248 1 1346 . 1 1 121 121 LEU HD23 H 1 0.674 0.0 . 2 . . . . . 121 LEU HD2 . 16248 1 1347 . 1 1 121 121 LEU HD22 H 1 0.674 0.0 . 2 . . . . . 121 LEU HD2 . 16248 1 1348 . 1 1 121 121 LEU CD1 C 13 22.92 0.0 . 2 . . . . . 121 LEU CD1 . 16248 1 1349 . 1 1 121 121 LEU CD2 C 13 26.437 0.0 . 2 . . . . . 121 LEU CD2 . 16248 1 1350 . 1 1 121 121 LEU C C 13 179.376 0.0 . 1 . . . . . 121 LEU C . 16248 1 1351 . 1 1 122 122 ASN N N 15 111.777 0.0 . 1 . . . . . 122 ASN N . 16248 1 1352 . 1 1 122 122 ASN H H 1 8.697 0.0 . 1 . . . . . 122 ASN H . 16248 1 1353 . 1 1 122 122 ASN CA C 13 53.991 0.0 . 1 . . . . . 122 ASN CA . 16248 1 1354 . 1 1 122 122 ASN HA H 1 4.977 0.0 . 1 . . . . . 122 ASN HA . 16248 1 1355 . 1 1 122 122 ASN CB C 13 40.507 0.0 . 1 . . . . . 122 ASN CB . 16248 1 1356 . 1 1 122 122 ASN HB2 H 1 3.369 0.0 . 2 . . . . . 122 ASN HB2 . 16248 1 1357 . 1 1 122 122 ASN HB3 H 1 2.993 0.0 . 2 . . . . . 122 ASN HB3 . 16248 1 1358 . 1 1 122 122 ASN ND2 N 15 117.869 0.0 . 1 . . . . . 122 ASN ND2 . 16248 1 1359 . 1 1 122 122 ASN HD21 H 1 8.294 0.0 . 2 . . . . . 122 ASN HD21 . 16248 1 1360 . 1 1 122 122 ASN HD22 H 1 8.294 0.0 . 2 . . . . . 122 ASN HD22 . 16248 1 1361 . 1 1 122 122 ASN C C 13 175.902 0.0 . 1 . . . . . 122 ASN C . 16248 1 1362 . 1 1 123 123 GLY N N 15 110.77 0.0 . 1 . . . . . 123 GLY N . 16248 1 1363 . 1 1 123 123 GLY H H 1 8.01 0.0 . 1 . . . . . 123 GLY H . 16248 1 1364 . 1 1 123 123 GLY CA C 13 44.025 0.0 . 1 . . . . . 123 GLY CA . 16248 1 1365 . 1 1 123 123 GLY HA2 H 1 4.252 0.0 . 1 . . . . . 123 GLY HA1 . 16248 1 1366 . 1 1 123 123 GLY HA3 H 1 3.638 0.0 . 2 . . . . . 123 GLY HA2 . 16248 1 1367 . 1 1 123 123 GLY C C 13 173.938 0.0 . 1 . . . . . 123 GLY C . 16248 1 1368 . 1 1 124 124 THR N N 15 121.689 0.0 . 1 . . . . . 124 THR N . 16248 1 1369 . 1 1 124 124 THR H H 1 8.964 0.0 . 1 . . . . . 124 THR H . 16248 1 1370 . 1 1 124 124 THR CA C 13 63.957 0.0 . 1 . . . . . 124 THR CA . 16248 1 1371 . 1 1 124 124 THR HA H 1 4.799 0.0 . 1 . . . . . 124 THR HA . 16248 1 1372 . 1 1 124 124 THR CB C 13 69.82 0.0 . 1 . . . . . 124 THR CB . 16248 1 1373 . 1 1 124 124 THR HB H 1 3.75 0.0 . 1 . . . . . 124 THR HB . 16248 1 1374 . 1 1 124 124 THR HG22 H 1 0.85 0.0 . 1 . . . . . 124 THR HG2 . 16248 1 1375 . 1 1 124 124 THR HG23 H 1 0.85 0.0 . 1 . . . . . 124 THR HG2 . 16248 1 1376 . 1 1 124 124 THR HG21 H 1 0.85 0.0 . 1 . . . . . 124 THR HG2 . 16248 1 1377 . 1 1 124 124 THR CG2 C 13 21.161 0.0 . 1 . . . . . 124 THR CG2 . 16248 1 1378 . 1 1 124 124 THR C C 13 172.355 0.0 . 1 . . . . . 124 THR C . 16248 1 1379 . 1 1 125 125 TYR N N 15 123.35 0.0 . 1 . . . . . 125 TYR N . 16248 1 1380 . 1 1 125 125 TYR H H 1 8.244 0.0 . 1 . . . . . 125 TYR H . 16248 1 1381 . 1 1 125 125 TYR CA C 13 55.75 0.0 . 1 . . . . . 125 TYR CA . 16248 1 1382 . 1 1 125 125 TYR HA H 1 5.342 0.0 . 1 . . . . . 125 TYR HA . 16248 1 1383 . 1 1 125 125 TYR CB C 13 41.094 0.0 . 1 . . . . . 125 TYR CB . 16248 1 1384 . 1 1 125 125 TYR HB2 H 1 3.133 0.0 . 2 . . . . . 125 TYR HB2 . 16248 1 1385 . 1 1 125 125 TYR HB3 H 1 2.371 0.0 . 2 . . . . . 125 TYR HB3 . 16248 1 1386 . 1 1 125 125 TYR CD1 C 13 133.151 0.0 . 3 . . . . . 125 TYR CD1 . 16248 1 1387 . 1 1 125 125 TYR HD1 H 1 6.784 0.0 . 3 . . . . . 125 TYR HD1 . 16248 1 1388 . 1 1 125 125 TYR CE1 C 13 118.524 0.0 . 3 . . . . . 125 TYR CE1 . 16248 1 1389 . 1 1 125 125 TYR HE1 H 1 6.95 0.0 . 3 . . . . . 125 TYR HE1 . 16248 1 1390 . 1 1 125 125 TYR CE2 C 13 118.524 0.0 . 3 . . . . . 125 TYR CE2 . 16248 1 1391 . 1 1 125 125 TYR HE2 H 1 6.95 0.0 . 3 . . . . . 125 TYR HE2 . 16248 1 1392 . 1 1 125 125 TYR CD2 C 13 133.151 0.0 . 3 . . . . . 125 TYR CD2 . 16248 1 1393 . 1 1 125 125 TYR HD2 H 1 6.784 0.0 . 3 . . . . . 125 TYR HD2 . 16248 1 1394 . 1 1 125 125 TYR C C 13 175.943 0.0 . 1 . . . . . 125 TYR C . 16248 1 1395 . 1 1 126 126 VAL N N 15 121.527 0.0 . 1 . . . . . 126 VAL N . 16248 1 1396 . 1 1 126 126 VAL H H 1 8.927 0.0 . 1 . . . . . 126 VAL H . 16248 1 1397 . 1 1 126 126 VAL CA C 13 61.026 0.0 . 1 . . . . . 126 VAL CA . 16248 1 1398 . 1 1 126 126 VAL HA H 1 4.941 0.0 . 1 . . . . . 126 VAL HA . 16248 1 1399 . 1 1 126 126 VAL CB C 13 32.886 0.0 . 1 . . . . . 126 VAL CB . 16248 1 1400 . 1 1 126 126 VAL HB H 1 1.732 0.0 . 1 . . . . . 126 VAL HB . 16248 1 1401 . 1 1 126 126 VAL HG11 H 1 0.734 0.0 . 2 . . . . . 126 VAL HG1 . 16248 1 1402 . 1 1 126 126 VAL HG12 H 1 0.734 0.0 . 2 . . . . . 126 VAL HG1 . 16248 1 1403 . 1 1 126 126 VAL HG13 H 1 0.734 0.0 . 2 . . . . . 126 VAL HG1 . 16248 1 1404 . 1 1 126 126 VAL HG21 H 1 0.75 0.0 . 2 . . . . . 126 VAL HG2 . 16248 1 1405 . 1 1 126 126 VAL HG22 H 1 0.75 0.0 . 2 . . . . . 126 VAL HG2 . 16248 1 1406 . 1 1 126 126 VAL HG23 H 1 0.75 0.0 . 2 . . . . . 126 VAL HG2 . 16248 1 1407 . 1 1 126 126 VAL CG1 C 13 22.92 0.0 . 2 . . . . . 126 VAL CG1 . 16248 1 1408 . 1 1 126 126 VAL CG2 C 13 21.161 0.0 . 2 . . . . . 126 VAL CG2 . 16248 1 1409 . 1 1 126 126 VAL C C 13 176.658 0.0 . 1 . . . . . 126 VAL C . 16248 1 1410 . 1 1 127 127 ASN N N 15 128.973 0.0 . 1 . . . . . 127 ASN N . 16248 1 1411 . 1 1 127 127 ASN H H 1 10.018 0.0 . 1 . . . . . 127 ASN H . 16248 1 1412 . 1 1 127 127 ASN CA C 13 54.577 0.0 . 1 . . . . . 127 ASN CA . 16248 1 1413 . 1 1 127 127 ASN HA H 1 4.379 0.0 . 1 . . . . . 127 ASN HA . 16248 1 1414 . 1 1 127 127 ASN CB C 13 36.99 0.0 . 1 . . . . . 127 ASN CB . 16248 1 1415 . 1 1 127 127 ASN HB2 H 1 2.932 0.0 . 2 . . . . . 127 ASN HB2 . 16248 1 1416 . 1 1 127 127 ASN HB3 H 1 2.794 0.0 . 2 . . . . . 127 ASN HB3 . 16248 1 1417 . 1 1 127 127 ASN ND2 N 15 117.14 0.0 . 1 . . . . . 127 ASN ND2 . 16248 1 1418 . 1 1 127 127 ASN HD21 H 1 7.755 0.0 . 2 . . . . . 127 ASN HD21 . 16248 1 1419 . 1 1 127 127 ASN HD22 H 1 7.428 0.0 . 2 . . . . . 127 ASN HD22 . 16248 1 1420 . 1 1 127 127 ASN C C 13 174.474 0.0 . 1 . . . . . 127 ASN C . 16248 1 1421 . 1 1 128 128 ARG N N 15 106.343 0.0 . 1 . . . . . 128 ARG N . 16248 1 1422 . 1 1 128 128 ARG H H 1 9.259 0.0 . 1 . . . . . 128 ARG H . 16248 1 1423 . 1 1 128 128 ARG CA C 13 58.095 0.0 . 1 . . . . . 128 ARG CA . 16248 1 1424 . 1 1 128 128 ARG HA H 1 2.959 0.0 . 1 . . . . . 128 ARG HA . 16248 1 1425 . 1 1 128 128 ARG CB C 13 27.052 0.0 . 1 . . . . . 128 ARG CB . 16248 1 1426 . 1 1 128 128 ARG HB2 H 1 2.033 0.0 . 2 . . . . . 128 ARG HB2 . 16248 1 1427 . 1 1 128 128 ARG HB3 H 1 1.365 0.0 . 2 . . . . . 128 ARG HB3 . 16248 1 1428 . 1 1 128 128 ARG HG2 H 1 1.2 0.0 . 2 . . . . . 128 ARG HG2 . 16248 1 1429 . 1 1 128 128 ARG HG3 H 1 0.849 0.0 . 2 . . . . . 128 ARG HG3 . 16248 1 1430 . 1 1 128 128 ARG HD2 H 1 2.823 0.0 . 2 . . . . . 128 ARG HD2 . 16248 1 1431 . 1 1 128 128 ARG HD3 H 1 2.823 0.0 . 2 . . . . . 128 ARG HD3 . 16248 1 1432 . 1 1 128 128 ARG NE N 15 116.169 0.0 . 1 . . . . . 128 ARG NE . 16248 1 1433 . 1 1 128 128 ARG HE H 1 7.426 0.0 . 1 . . . . . 128 ARG HE . 16248 1 1434 . 1 1 128 128 ARG C C 13 174.449 0.0 . 1 . . . . . 128 ARG C . 16248 1 1435 . 1 1 129 129 GLU N N 15 120.047 0.0 . 1 . . . . . 129 GLU N . 16248 1 1436 . 1 1 129 129 GLU H H 1 7.738 0.0 . 1 . . . . . 129 GLU H . 16248 1 1437 . 1 1 129 129 GLU CA C 13 52.819 0.0 . 1 . . . . . 129 GLU CA . 16248 1 1438 . 1 1 129 129 GLU HA H 1 5.092 0.0 . 1 . . . . . 129 GLU HA . 16248 1 1439 . 1 1 129 129 GLU CB C 13 31.127 0.0 . 1 . . . . . 129 GLU CB . 16248 1 1440 . 1 1 129 129 GLU HB2 H 1 2.074 0.0 . 2 . . . . . 129 GLU HB2 . 16248 1 1441 . 1 1 129 129 GLU HB3 H 1 1.852 0.0 . 2 . . . . . 129 GLU HB3 . 16248 1 1442 . 1 1 129 129 GLU CG C 13 34.645 0.0 . 1 . . . . . 129 GLU CG . 16248 1 1443 . 1 1 129 129 GLU HG2 H 1 2.354 0.0 . 2 . . . . . 129 GLU HG2 . 16248 1 1444 . 1 1 129 129 GLU HG3 H 1 2.238 0.0 . 2 . . . . . 129 GLU HG3 . 16248 1 1445 . 1 1 129 129 GLU C C 13 173.427 0.0 . 1 . . . . . 129 GLU C . 16248 1 1446 . 1 1 130 130 PRO CD C 13 50.474 0.0 . 1 . . . . . 130 PRO CD . 16248 1 1447 . 1 1 130 130 PRO CA C 13 62.199 0.0 . 1 . . . . . 130 PRO CA . 16248 1 1448 . 1 1 130 130 PRO HA H 1 4.066 0.0 . 1 . . . . . 130 PRO HA . 16248 1 1449 . 1 1 130 130 PRO CB C 13 31.127 0.0 . 1 . . . . . 130 PRO CB . 16248 1 1450 . 1 1 130 130 PRO HB2 H 1 1.741 0.0 . 2 . . . . . 130 PRO HB2 . 16248 1 1451 . 1 1 130 130 PRO HB3 H 1 1.622 0.0 . 2 . . . . . 130 PRO HB3 . 16248 1 1452 . 1 1 130 130 PRO CG C 13 27.024 0.0 . 1 . . . . . 130 PRO CG . 16248 1 1453 . 1 1 130 130 PRO HG2 H 1 2.207 0.0 . 2 . . . . . 130 PRO HG2 . 16248 1 1454 . 1 1 130 130 PRO HG3 H 1 2.055 0.0 . 2 . . . . . 130 PRO HG3 . 16248 1 1455 . 1 1 130 130 PRO HD2 H 1 3.952 0.0 . 2 . . . . . 130 PRO HD2 . 16248 1 1456 . 1 1 130 130 PRO HD3 H 1 3.859 0.0 . 2 . . . . . 130 PRO HD3 . 16248 1 1457 . 1 1 130 130 PRO C C 13 177.534 0.0 . 1 . . . . . 130 PRO C . 16248 1 1458 . 1 1 131 131 VAL N N 15 114.933 0.0 . 1 . . . . . 131 VAL N . 16248 1 1459 . 1 1 131 131 VAL H H 1 8.313 0.0 . 1 . . . . . 131 VAL H . 16248 1 1460 . 1 1 131 131 VAL CA C 13 58.681 0.0 . 1 . . . . . 131 VAL CA . 16248 1 1461 . 1 1 131 131 VAL HA H 1 4.708 0.0 . 1 . . . . . 131 VAL HA . 16248 1 1462 . 1 1 131 131 VAL CB C 13 35.231 0.0 . 1 . . . . . 131 VAL CB . 16248 1 1463 . 1 1 131 131 VAL HB H 1 1.898 0.0 . 1 . . . . . 131 VAL HB . 16248 1 1464 . 1 1 131 131 VAL HG11 H 1 0.831 0.0 . 2 . . . . . 131 VAL HG1 . 16248 1 1465 . 1 1 131 131 VAL HG12 H 1 0.831 0.0 . 2 . . . . . 131 VAL HG1 . 16248 1 1466 . 1 1 131 131 VAL HG13 H 1 0.831 0.0 . 2 . . . . . 131 VAL HG1 . 16248 1 1467 . 1 1 131 131 VAL HG21 H 1 0.45 0.0 . 2 . . . . . 131 VAL HG2 . 16248 1 1468 . 1 1 131 131 VAL HG22 H 1 0.45 0.0 . 2 . . . . . 131 VAL HG2 . 16248 1 1469 . 1 1 131 131 VAL HG23 H 1 0.45 0.0 . 2 . . . . . 131 VAL HG2 . 16248 1 1470 . 1 1 131 131 VAL CG1 C 13 21.747 0.0 . 2 . . . . . 131 VAL CG1 . 16248 1 1471 . 1 1 131 131 VAL CG2 C 13 18.23 0.0 . 2 . . . . . 131 VAL CG2 . 16248 1 1472 . 1 1 131 131 VAL C C 13 175.683 0.0 . 1 . . . . . 131 VAL C . 16248 1 1473 . 1 1 132 132 ASP N N 15 120.662 0.0 . 1 . . . . . 132 ASP N . 16248 1 1474 . 1 1 132 132 ASP H H 1 8.45 0.0 . 1 . . . . . 132 ASP H . 16248 1 1475 . 1 1 132 132 ASP CA C 13 55.75 0.0 . 1 . . . . . 132 ASP CA . 16248 1 1476 . 1 1 132 132 ASP HA H 1 4.775 0.0 . 1 . . . . . 132 ASP HA . 16248 1 1477 . 1 1 132 132 ASP CB C 13 41.094 0.0 . 1 . . . . . 132 ASP CB . 16248 1 1478 . 1 1 132 132 ASP HB2 H 1 2.76 0.0 . 2 . . . . . 132 ASP HB2 . 16248 1 1479 . 1 1 132 132 ASP HB3 H 1 2.628 0.0 . 2 . . . . . 132 ASP HB3 . 16248 1 1480 . 1 1 132 132 ASP C C 13 176.208 0.0 . 1 . . . . . 132 ASP C . 16248 1 1481 . 1 1 133 133 SER N N 15 111.689 0.0 . 1 . . . . . 133 SER N . 16248 1 1482 . 1 1 133 133 SER H H 1 7.62 0.0 . 1 . . . . . 133 SER H . 16248 1 1483 . 1 1 133 133 SER CA C 13 56.336 0.0 . 1 . . . . . 133 SER CA . 16248 1 1484 . 1 1 133 133 SER HA H 1 5.431 0.0 . 1 . . . . . 133 SER HA . 16248 1 1485 . 1 1 133 133 SER CB C 13 65.13 0.0 . 1 . . . . . 133 SER CB . 16248 1 1486 . 1 1 133 133 SER HB2 H 1 3.74 0.0 . 2 . . . . . 133 SER HB2 . 16248 1 1487 . 1 1 133 133 SER HB3 H 1 3.733 0.0 . 2 . . . . . 133 SER HB3 . 16248 1 1488 . 1 1 133 133 SER C C 13 173.443 0.0 . 1 . . . . . 133 SER C . 16248 1 1489 . 1 1 134 134 ALA N N 15 125.059 0.0 . 1 . . . . . 134 ALA N . 16248 1 1490 . 1 1 134 134 ALA H H 1 8.737 0.0 . 1 . . . . . 134 ALA H . 16248 1 1491 . 1 1 134 134 ALA CA C 13 52.232 0.0 . 1 . . . . . 134 ALA CA . 16248 1 1492 . 1 1 134 134 ALA HA H 1 4.594 0.0 . 1 . . . . . 134 ALA HA . 16248 1 1493 . 1 1 134 134 ALA HB2 H 1 1.241 0.0 . 1 . . . . . 134 ALA HB . 16248 1 1494 . 1 1 134 134 ALA HB1 H 1 1.241 0.0 . 1 . . . . . 134 ALA HB . 16248 1 1495 . 1 1 134 134 ALA HB3 H 1 1.241 0.0 . 1 . . . . . 134 ALA HB . 16248 1 1496 . 1 1 134 134 ALA CB C 13 22.334 0.0 . 1 . . . . . 134 ALA CB . 16248 1 1497 . 1 1 134 134 ALA C C 13 175.391 0.0 . 1 . . . . . 134 ALA C . 16248 1 1498 . 1 1 135 135 VAL N N 15 122.876 0.0 . 1 . . . . . 135 VAL N . 16248 1 1499 . 1 1 135 135 VAL H H 1 8.266 0.0 . 1 . . . . . 135 VAL H . 16248 1 1500 . 1 1 135 135 VAL CA C 13 62.785 0.0 . 1 . . . . . 135 VAL CA . 16248 1 1501 . 1 1 135 135 VAL HA H 1 4.098 0.0 . 1 . . . . . 135 VAL HA . 16248 1 1502 . 1 1 135 135 VAL CB C 13 32.3 0.0 . 1 . . . . . 135 VAL CB . 16248 1 1503 . 1 1 135 135 VAL HB H 1 1.848 0.0 . 1 . . . . . 135 VAL HB . 16248 1 1504 . 1 1 135 135 VAL HG11 H 1 0.912 0.0 . 2 . . . . . 135 VAL HG1 . 16248 1 1505 . 1 1 135 135 VAL HG12 H 1 0.912 0.0 . 2 . . . . . 135 VAL HG1 . 16248 1 1506 . 1 1 135 135 VAL HG13 H 1 0.912 0.0 . 2 . . . . . 135 VAL HG1 . 16248 1 1507 . 1 1 135 135 VAL HG21 H 1 0.881 0.0 . 2 . . . . . 135 VAL HG2 . 16248 1 1508 . 1 1 135 135 VAL HG22 H 1 0.881 0.0 . 2 . . . . . 135 VAL HG2 . 16248 1 1509 . 1 1 135 135 VAL HG23 H 1 0.881 0.0 . 2 . . . . . 135 VAL HG2 . 16248 1 1510 . 1 1 135 135 VAL CG1 C 13 21.161 0.0 . 2 . . . . . 135 VAL CG1 . 16248 1 1511 . 1 1 135 135 VAL CG2 C 13 21.747 0.0 . 2 . . . . . 135 VAL CG2 . 16248 1 1512 . 1 1 135 135 VAL C C 13 176.162 0.0 . 1 . . . . . 135 VAL C . 16248 1 1513 . 1 1 136 136 LEU N N 15 128.99 0.0 . 1 . . . . . 136 LEU N . 16248 1 1514 . 1 1 136 136 LEU H H 1 8.415 0.0 . 1 . . . . . 136 LEU H . 16248 1 1515 . 1 1 136 136 LEU CA C 13 53.991 0.0 . 1 . . . . . 136 LEU CA . 16248 1 1516 . 1 1 136 136 LEU HA H 1 4.354 0.0 . 1 . . . . . 136 LEU HA . 16248 1 1517 . 1 1 136 136 LEU CB C 13 42.852 0.0 . 1 . . . . . 136 LEU CB . 16248 1 1518 . 1 1 136 136 LEU HB2 H 1 0.623 0.0 . 2 . . . . . 136 LEU HB2 . 16248 1 1519 . 1 1 136 136 LEU HB3 H 1 0.048 0.0 . 2 . . . . . 136 LEU HB3 . 16248 1 1520 . 1 1 136 136 LEU CG C 13 26.437 0.0 . 1 . . . . . 136 LEU CG . 16248 1 1521 . 1 1 136 136 LEU HG H 1 0.356 0.0 . 1 . . . . . 136 LEU HG . 16248 1 1522 . 1 1 136 136 LEU HD13 H 1 0.62 0.0 . 2 . . . . . 136 LEU HD1 . 16248 1 1523 . 1 1 136 136 LEU HD11 H 1 0.62 0.0 . 2 . . . . . 136 LEU HD1 . 16248 1 1524 . 1 1 136 136 LEU HD12 H 1 0.62 0.0 . 2 . . . . . 136 LEU HD1 . 16248 1 1525 . 1 1 136 136 LEU HD21 H 1 0.615 0.0 . 2 . . . . . 136 LEU HD2 . 16248 1 1526 . 1 1 136 136 LEU HD23 H 1 0.615 0.0 . 2 . . . . . 136 LEU HD2 . 16248 1 1527 . 1 1 136 136 LEU HD22 H 1 0.615 0.0 . 2 . . . . . 136 LEU HD2 . 16248 1 1528 . 1 1 136 136 LEU CD1 C 13 23.506 0.0 . 2 . . . . . 136 LEU CD1 . 16248 1 1529 . 1 1 136 136 LEU CD2 C 13 23.506 0.0 . 2 . . . . . 136 LEU CD2 . 16248 1 1530 . 1 1 136 136 LEU C C 13 175.147 0.0 . 1 . . . . . 136 LEU C . 16248 1 1531 . 1 1 137 137 ALA N N 15 126.102 0.0 . 1 . . . . . 137 ALA N . 16248 1 1532 . 1 1 137 137 ALA H H 1 9.077 0.0 . 1 . . . . . 137 ALA H . 16248 1 1533 . 1 1 137 137 ALA CA C 13 49.301 0.0 . 1 . . . . . 137 ALA CA . 16248 1 1534 . 1 1 137 137 ALA HA H 1 4.724 0.0 . 1 . . . . . 137 ALA HA . 16248 1 1535 . 1 1 137 137 ALA HB2 H 1 1.402 0.0 . 1 . . . . . 137 ALA HB . 16248 1 1536 . 1 1 137 137 ALA HB3 H 1 1.402 0.0 . 1 . . . . . 137 ALA HB . 16248 1 1537 . 1 1 137 137 ALA HB1 H 1 1.402 0.0 . 1 . . . . . 137 ALA HB . 16248 1 1538 . 1 1 137 137 ALA CB C 13 22.334 0.0 . 1 . . . . . 137 ALA CB . 16248 1 1539 . 1 1 137 137 ALA C C 13 176.543 0.0 . 1 . . . . . 137 ALA C . 16248 1 1540 . 1 1 138 138 ASN N N 15 117.55 0.0 . 1 . . . . . 138 ASN N . 16248 1 1541 . 1 1 138 138 ASN H H 1 8.751 0.0 . 1 . . . . . 138 ASN H . 16248 1 1542 . 1 1 138 138 ASN CA C 13 56.336 0.0 . 1 . . . . . 138 ASN CA . 16248 1 1543 . 1 1 138 138 ASN HA H 1 4.427 0.0 . 1 . . . . . 138 ASN HA . 16248 1 1544 . 1 1 138 138 ASN CB C 13 39.921 0.0 . 1 . . . . . 138 ASN CB . 16248 1 1545 . 1 1 138 138 ASN HB2 H 1 2.932 0.0 . 2 . . . . . 138 ASN HB2 . 16248 1 1546 . 1 1 138 138 ASN HB3 H 1 2.705 0.0 . 2 . . . . . 138 ASN HB3 . 16248 1 1547 . 1 1 138 138 ASN ND2 N 15 113.498 0.0 . 1 . . . . . 138 ASN ND2 . 16248 1 1548 . 1 1 138 138 ASN HD21 H 1 7.514 0.0 . 2 . . . . . 138 ASN HD21 . 16248 1 1549 . 1 1 138 138 ASN HD22 H 1 6.711 0.0 . 2 . . . . . 138 ASN HD22 . 16248 1 1550 . 1 1 138 138 ASN C C 13 176.479 0.0 . 1 . . . . . 138 ASN C . 16248 1 1551 . 1 1 139 139 GLY N N 15 117.502 0.0 . 1 . . . . . 139 GLY N . 16248 1 1552 . 1 1 139 139 GLY H H 1 10.068 0.0 . 1 . . . . . 139 GLY H . 16248 1 1553 . 1 1 139 139 GLY CA C 13 45.197 0.0 . 1 . . . . . 139 GLY CA . 16248 1 1554 . 1 1 139 139 GLY HA2 H 1 4.429 0.0 . 1 . . . . . 139 GLY HA1 . 16248 1 1555 . 1 1 139 139 GLY HA3 H 1 3.41 0.0 . 2 . . . . . 139 GLY HA2 . 16248 1 1556 . 1 1 139 139 GLY C C 13 174.401 0.0 . 1 . . . . . 139 GLY C . 16248 1 1557 . 1 1 140 140 ASP N N 15 123.186 0.0 . 1 . . . . . 140 ASP N . 16248 1 1558 . 1 1 140 140 ASP H H 1 8.592 0.0 . 1 . . . . . 140 ASP H . 16248 1 1559 . 1 1 140 140 ASP CA C 13 55.75 0.0 . 1 . . . . . 140 ASP CA . 16248 1 1560 . 1 1 140 140 ASP HA H 1 4.812 0.0 . 1 . . . . . 140 ASP HA . 16248 1 1561 . 1 1 140 140 ASP CB C 13 42.266 0.0 . 1 . . . . . 140 ASP CB . 16248 1 1562 . 1 1 140 140 ASP HB2 H 1 2.814 0.0 . 2 . . . . . 140 ASP HB2 . 16248 1 1563 . 1 1 140 140 ASP HB3 H 1 2.345 0.0 . 2 . . . . . 140 ASP HB3 . 16248 1 1564 . 1 1 140 140 ASP C C 13 174.782 0.0 . 1 . . . . . 140 ASP C . 16248 1 1565 . 1 1 141 141 GLU N N 15 118.457 0.0 . 1 . . . . . 141 GLU N . 16248 1 1566 . 1 1 141 141 GLU H H 1 8.222 0.0 . 1 . . . . . 141 GLU H . 16248 1 1567 . 1 1 141 141 GLU CA C 13 54.577 0.0 . 1 . . . . . 141 GLU CA . 16248 1 1568 . 1 1 141 141 GLU HA H 1 5.273 0.0 . 1 . . . . . 141 GLU HA . 16248 1 1569 . 1 1 141 141 GLU CB C 13 32.3 0.0 . 1 . . . . . 141 GLU CB . 16248 1 1570 . 1 1 141 141 GLU HB2 H 1 2.049 0.0 . 2 . . . . . 141 GLU HB2 . 16248 1 1571 . 1 1 141 141 GLU HB3 H 1 1.967 0.0 . 2 . . . . . 141 GLU HB3 . 16248 1 1572 . 1 1 141 141 GLU CG C 13 37.576 0.0 . 1 . . . . . 141 GLU CG . 16248 1 1573 . 1 1 141 141 GLU HG2 H 1 2.392 0.0 . 2 . . . . . 141 GLU HG2 . 16248 1 1574 . 1 1 141 141 GLU HG3 H 1 2.031 0.0 . 2 . . . . . 141 GLU HG3 . 16248 1 1575 . 1 1 141 141 GLU C C 13 176.138 0.0 . 1 . . . . . 141 GLU C . 16248 1 1576 . 1 1 142 142 VAL N N 15 127.748 0.0 . 1 . . . . . 142 VAL N . 16248 1 1577 . 1 1 142 142 VAL H H 1 9.676 0.0 . 1 . . . . . 142 VAL H . 16248 1 1578 . 1 1 142 142 VAL CA C 13 60.44 0.0 . 1 . . . . . 142 VAL CA . 16248 1 1579 . 1 1 142 142 VAL HA H 1 5.235 0.0 . 1 . . . . . 142 VAL HA . 16248 1 1580 . 1 1 142 142 VAL CB C 13 34.645 0.0 . 1 . . . . . 142 VAL CB . 16248 1 1581 . 1 1 142 142 VAL HB H 1 2.004 0.0 . 1 . . . . . 142 VAL HB . 16248 1 1582 . 1 1 142 142 VAL HG11 H 1 0.952 0.0 . 2 . . . . . 142 VAL HG1 . 16248 1 1583 . 1 1 142 142 VAL HG12 H 1 0.952 0.0 . 2 . . . . . 142 VAL HG1 . 16248 1 1584 . 1 1 142 142 VAL HG13 H 1 0.952 0.0 . 2 . . . . . 142 VAL HG1 . 16248 1 1585 . 1 1 142 142 VAL HG21 H 1 0.946 0.0 . 2 . . . . . 142 VAL HG2 . 16248 1 1586 . 1 1 142 142 VAL HG22 H 1 0.946 0.0 . 2 . . . . . 142 VAL HG2 . 16248 1 1587 . 1 1 142 142 VAL HG23 H 1 0.946 0.0 . 2 . . . . . 142 VAL HG2 . 16248 1 1588 . 1 1 142 142 VAL CG1 C 13 21.161 0.0 . 2 . . . . . 142 VAL CG1 . 16248 1 1589 . 1 1 142 142 VAL CG2 C 13 21.161 0.0 . 2 . . . . . 142 VAL CG2 . 16248 1 1590 . 1 1 142 142 VAL C C 13 174.271 0.0 . 1 . . . . . 142 VAL C . 16248 1 1591 . 1 1 143 143 GLN N N 15 129.736 0.0 . 1 . . . . . 143 GLN N . 16248 1 1592 . 1 1 143 143 GLN H H 1 9.515 0.0 . 1 . . . . . 143 GLN H . 16248 1 1593 . 1 1 143 143 GLN CA C 13 54.577 0.0 . 1 . . . . . 143 GLN CA . 16248 1 1594 . 1 1 143 143 GLN HA H 1 5.438 0.0 . 1 . . . . . 143 GLN HA . 16248 1 1595 . 1 1 143 143 GLN CB C 13 29.955 0.0 . 1 . . . . . 143 GLN CB . 16248 1 1596 . 1 1 143 143 GLN HB2 H 1 2.228 0.0 . 2 . . . . . 143 GLN HB2 . 16248 1 1597 . 1 1 143 143 GLN HB3 H 1 2.226 0.0 . 2 . . . . . 143 GLN HB3 . 16248 1 1598 . 1 1 143 143 GLN CG C 13 32.3 0.0 . 1 . . . . . 143 GLN CG . 16248 1 1599 . 1 1 143 143 GLN HG2 H 1 2.513 0.0 . 2 . . . . . 143 GLN HG2 . 16248 1 1600 . 1 1 143 143 GLN HG3 H 1 2.198 0.0 . 2 . . . . . 143 GLN HG3 . 16248 1 1601 . 1 1 143 143 GLN NE2 N 15 110.099 0.0 . 1 . . . . . 143 GLN NE2 . 16248 1 1602 . 1 1 143 143 GLN HE21 H 1 7.656 0.0 . 2 . . . . . 143 GLN HE21 . 16248 1 1603 . 1 1 143 143 GLN HE22 H 1 6.6 0.0 . 2 . . . . . 143 GLN HE22 . 16248 1 1604 . 1 1 143 143 GLN C C 13 175.034 0.0 . 1 . . . . . 143 GLN C . 16248 1 1605 . 1 1 144 144 ILE N N 15 128.956 0.0 . 1 . . . . . 144 ILE N . 16248 1 1606 . 1 1 144 144 ILE H H 1 8.547 0.0 . 1 . . . . . 144 ILE H . 16248 1 1607 . 1 1 144 144 ILE CA C 13 60.44 0.0 . 1 . . . . . 144 ILE CA . 16248 1 1608 . 1 1 144 144 ILE HA H 1 4.128 0.0 . 1 . . . . . 144 ILE HA . 16248 1 1609 . 1 1 144 144 ILE CB C 13 41.094 0.0 . 1 . . . . . 144 ILE CB . 16248 1 1610 . 1 1 144 144 ILE HB H 1 1.279 0.0 . 1 . . . . . 144 ILE HB . 16248 1 1611 . 1 1 144 144 ILE HG23 H 1 0.525 0.0 . 1 . . . . . 144 ILE HG2 . 16248 1 1612 . 1 1 144 144 ILE HG21 H 1 0.525 0.0 . 1 . . . . . 144 ILE HG2 . 16248 1 1613 . 1 1 144 144 ILE HG22 H 1 0.525 0.0 . 1 . . . . . 144 ILE HG2 . 16248 1 1614 . 1 1 144 144 ILE CG2 C 13 12.954 0.0 . 1 . . . . . 144 ILE CG2 . 16248 1 1615 . 1 1 144 144 ILE CG1 C 13 27.61 0.0 . 1 . . . . . 144 ILE CG1 . 16248 1 1616 . 1 1 144 144 ILE HG12 H 1 1.438 0.0 . 2 . . . . . 144 ILE HG12 . 16248 1 1617 . 1 1 144 144 ILE HG13 H 1 0.852 0.0 . 2 . . . . . 144 ILE HG13 . 16248 1 1618 . 1 1 144 144 ILE HD11 H 1 -0.144 0.0 . 1 . . . . . 144 ILE HD1 . 16248 1 1619 . 1 1 144 144 ILE HD12 H 1 -0.144 0.0 . 1 . . . . . 144 ILE HD1 . 16248 1 1620 . 1 1 144 144 ILE HD13 H 1 -0.144 0.0 . 1 . . . . . 144 ILE HD1 . 16248 1 1621 . 1 1 144 144 ILE CD1 C 13 14.712 0.0 . 1 . . . . . 144 ILE CD1 . 16248 1 1622 . 1 1 144 144 ILE C C 13 174.798 0.0 . 1 . . . . . 144 ILE C . 16248 1 1623 . 1 1 145 145 GLY N N 15 116.627 0.0 . 1 . . . . . 145 GLY N . 16248 1 1624 . 1 1 145 145 GLY H H 1 9.937 0.0 . 1 . . . . . 145 GLY H . 16248 1 1625 . 1 1 145 145 GLY CA C 13 46.37 0.0 . 1 . . . . . 145 GLY CA . 16248 1 1626 . 1 1 145 145 GLY HA2 H 1 3.752 0.0 . 1 . . . . . 145 GLY HA1 . 16248 1 1627 . 1 1 145 145 GLY HA3 H 1 3.374 0.0 . 2 . . . . . 145 GLY HA2 . 16248 1 1628 . 1 1 145 145 GLY C C 13 174.758 0.0 . 1 . . . . . 145 GLY C . 16248 1 1629 . 1 1 146 146 LYS N N 15 123.063 0.0 . 1 . . . . . 146 LYS N . 16248 1 1630 . 1 1 146 146 LYS H H 1 7.134 0.0 . 1 . . . . . 146 LYS H . 16248 1 1631 . 1 1 146 146 LYS CA C 13 57.509 0.0 . 1 . . . . . 146 LYS CA . 16248 1 1632 . 1 1 146 146 LYS HA H 1 3.65 0.0 . 1 . . . . . 146 LYS HA . 16248 1 1633 . 1 1 146 146 LYS CB C 13 32.886 0.0 . 1 . . . . . 146 LYS CB . 16248 1 1634 . 1 1 146 146 LYS HB2 H 1 1.349 0.0 . 2 . . . . . 146 LYS HB2 . 16248 1 1635 . 1 1 146 146 LYS HB3 H 1 0.824 0.0 . 2 . . . . . 146 LYS HB3 . 16248 1 1636 . 1 1 146 146 LYS CG C 13 25.851 0.0 . 1 . . . . . 146 LYS CG . 16248 1 1637 . 1 1 146 146 LYS HG2 H 1 0.652 0.0 . 2 . . . . . 146 LYS HG2 . 16248 1 1638 . 1 1 146 146 LYS HG3 H 1 0.646 0.0 . 2 . . . . . 146 LYS HG3 . 16248 1 1639 . 1 1 146 146 LYS CD C 13 28.782 0.0 . 1 . . . . . 146 LYS CD . 16248 1 1640 . 1 1 146 146 LYS HD2 H 1 1.273 0.0 . 2 . . . . . 146 LYS HD2 . 16248 1 1641 . 1 1 146 146 LYS HD3 H 1 1.268 0.0 . 2 . . . . . 146 LYS HD3 . 16248 1 1642 . 1 1 146 146 LYS CE C 13 41.094 0.0 . 1 . . . . . 146 LYS CE . 16248 1 1643 . 1 1 146 146 LYS HE2 H 1 2.552 0.0 . 2 . . . . . 146 LYS HE2 . 16248 1 1644 . 1 1 146 146 LYS HE3 H 1 2.442 0.0 . 2 . . . . . 146 LYS HE3 . 16248 1 1645 . 1 1 146 146 LYS C C 13 175.699 0.0 . 1 . . . . . 146 LYS C . 16248 1 1646 . 1 1 147 147 PHE N N 15 122.7 0.0 . 1 . . . . . 147 PHE N . 16248 1 1647 . 1 1 147 147 PHE H H 1 8.159 0.0 . 1 . . . . . 147 PHE H . 16248 1 1648 . 1 1 147 147 PHE CA C 13 58.681 0.0 . 1 . . . . . 147 PHE CA . 16248 1 1649 . 1 1 147 147 PHE HA H 1 4.55 0.0 . 1 . . . . . 147 PHE HA . 16248 1 1650 . 1 1 147 147 PHE CB C 13 39.921 0.0 . 1 . . . . . 147 PHE CB . 16248 1 1651 . 1 1 147 147 PHE HB2 H 1 3.471 0.0 . 2 . . . . . 147 PHE HB2 . 16248 1 1652 . 1 1 147 147 PHE HB3 H 1 2.541 0.0 . 2 . . . . . 147 PHE HB3 . 16248 1 1653 . 1 1 147 147 PHE CD1 C 13 131.745 0.0 . 3 . . . . . 147 PHE CD1 . 16248 1 1654 . 1 1 147 147 PHE HD1 H 1 7.011 0.0 . 3 . . . . . 147 PHE HD1 . 16248 1 1655 . 1 1 147 147 PHE CE1 C 13 132.026 0.0 . 3 . . . . . 147 PHE CE1 . 16248 1 1656 . 1 1 147 147 PHE HE1 H 1 7.258 0.0 . 3 . . . . . 147 PHE HE1 . 16248 1 1657 . 1 1 147 147 PHE CE2 C 13 132.026 0.0 . 3 . . . . . 147 PHE CE2 . 16248 1 1658 . 1 1 147 147 PHE HE2 H 1 7.258 0.0 . 3 . . . . . 147 PHE HE2 . 16248 1 1659 . 1 1 147 147 PHE CD2 C 13 131.745 0.0 . 3 . . . . . 147 PHE CD2 . 16248 1 1660 . 1 1 147 147 PHE HD2 H 1 7.011 0.0 . 3 . . . . . 147 PHE HD2 . 16248 1 1661 . 1 1 147 147 PHE C C 13 174.296 0.0 . 1 . . . . . 147 PHE C . 16248 1 1662 . 1 1 148 148 ARG N N 15 122.198 0.0 . 1 . . . . . 148 ARG N . 16248 1 1663 . 1 1 148 148 ARG H H 1 8.663 0.0 . 1 . . . . . 148 ARG H . 16248 1 1664 . 1 1 148 148 ARG CA C 13 54.577 0.0 . 1 . . . . . 148 ARG CA . 16248 1 1665 . 1 1 148 148 ARG HA H 1 5.48 0.0 . 1 . . . . . 148 ARG HA . 16248 1 1666 . 1 1 148 148 ARG CB C 13 32.886 0.0 . 1 . . . . . 148 ARG CB . 16248 1 1667 . 1 1 148 148 ARG HB2 H 1 1.803 0.0 . 2 . . . . . 148 ARG HB2 . 16248 1 1668 . 1 1 148 148 ARG HB3 H 1 1.727 0.0 . 2 . . . . . 148 ARG HB3 . 16248 1 1669 . 1 1 148 148 ARG CG C 13 28.196 0.0 . 1 . . . . . 148 ARG CG . 16248 1 1670 . 1 1 148 148 ARG HG2 H 1 1.548 0.0 . 2 . . . . . 148 ARG HG2 . 16248 1 1671 . 1 1 148 148 ARG HG3 H 1 1.447 0.0 . 2 . . . . . 148 ARG HG3 . 16248 1 1672 . 1 1 148 148 ARG CD C 13 43.439 0.0 . 1 . . . . . 148 ARG CD . 16248 1 1673 . 1 1 148 148 ARG HD2 H 1 3.106 0.0 . 2 . . . . . 148 ARG HD2 . 16248 1 1674 . 1 1 148 148 ARG HD3 H 1 3.096 0.0 . 2 . . . . . 148 ARG HD3 . 16248 1 1675 . 1 1 148 148 ARG NE N 15 115.684 0.0 . 1 . . . . . 148 ARG NE . 16248 1 1676 . 1 1 148 148 ARG HE H 1 7.341 0.0 . 1 . . . . . 148 ARG HE . 16248 1 1677 . 1 1 148 148 ARG C C 13 174.92 0.0 . 1 . . . . . 148 ARG C . 16248 1 1678 . 1 1 149 149 LEU N N 15 127.394 0.0 . 1 . . . . . 149 LEU N . 16248 1 1679 . 1 1 149 149 LEU H H 1 9.807 0.0 . 1 . . . . . 149 LEU H . 16248 1 1680 . 1 1 149 149 LEU CA C 13 53.405 0.0 . 1 . . . . . 149 LEU CA . 16248 1 1681 . 1 1 149 149 LEU HA H 1 5.512 0.0 . 1 . . . . . 149 LEU HA . 16248 1 1682 . 1 1 149 149 LEU CB C 13 44.611 0.0 . 1 . . . . . 149 LEU CB . 16248 1 1683 . 1 1 149 149 LEU HB2 H 1 1.769 0.0 . 2 . . . . . 149 LEU HB2 . 16248 1 1684 . 1 1 149 149 LEU HB3 H 1 1.442 0.0 . 2 . . . . . 149 LEU HB3 . 16248 1 1685 . 1 1 149 149 LEU CG C 13 28.196 0.0 . 1 . . . . . 149 LEU CG . 16248 1 1686 . 1 1 149 149 LEU HG H 1 1.685 0.0 . 1 . . . . . 149 LEU HG . 16248 1 1687 . 1 1 149 149 LEU HD12 H 1 0.804 0.0 . 2 . . . . . 149 LEU HD1 . 16248 1 1688 . 1 1 149 149 LEU HD11 H 1 0.804 0.0 . 2 . . . . . 149 LEU HD1 . 16248 1 1689 . 1 1 149 149 LEU HD13 H 1 0.804 0.0 . 2 . . . . . 149 LEU HD1 . 16248 1 1690 . 1 1 149 149 LEU HD23 H 1 0.798 0.0 . 2 . . . . . 149 LEU HD2 . 16248 1 1691 . 1 1 149 149 LEU HD21 H 1 0.798 0.0 . 2 . . . . . 149 LEU HD2 . 16248 1 1692 . 1 1 149 149 LEU HD22 H 1 0.798 0.0 . 2 . . . . . 149 LEU HD2 . 16248 1 1693 . 1 1 149 149 LEU CD1 C 13 26.437 0.0 . 2 . . . . . 149 LEU CD1 . 16248 1 1694 . 1 1 149 149 LEU CD2 C 13 26.437 0.0 . 2 . . . . . 149 LEU CD2 . 16248 1 1695 . 1 1 149 149 LEU C C 13 175.277 0.0 . 1 . . . . . 149 LEU C . 16248 1 1696 . 1 1 150 150 VAL N N 15 121.478 0.0 . 1 . . . . . 150 VAL N . 16248 1 1697 . 1 1 150 150 VAL H H 1 9.269 0.0 . 1 . . . . . 150 VAL H . 16248 1 1698 . 1 1 150 150 VAL CA C 13 60.44 0.0 . 1 . . . . . 150 VAL CA . 16248 1 1699 . 1 1 150 150 VAL HA H 1 5.066 0.0 . 1 . . . . . 150 VAL HA . 16248 1 1700 . 1 1 150 150 VAL CB C 13 34.645 0.0 . 1 . . . . . 150 VAL CB . 16248 1 1701 . 1 1 150 150 VAL HB H 1 1.81 0.0 . 1 . . . . . 150 VAL HB . 16248 1 1702 . 1 1 150 150 VAL HG11 H 1 0.956 0.0 . 2 . . . . . 150 VAL HG1 . 16248 1 1703 . 1 1 150 150 VAL HG12 H 1 0.956 0.0 . 2 . . . . . 150 VAL HG1 . 16248 1 1704 . 1 1 150 150 VAL HG13 H 1 0.956 0.0 . 2 . . . . . 150 VAL HG1 . 16248 1 1705 . 1 1 150 150 VAL HG21 H 1 0.905 0.0 . 2 . . . . . 150 VAL HG2 . 16248 1 1706 . 1 1 150 150 VAL HG22 H 1 0.905 0.0 . 2 . . . . . 150 VAL HG2 . 16248 1 1707 . 1 1 150 150 VAL HG23 H 1 0.905 0.0 . 2 . . . . . 150 VAL HG2 . 16248 1 1708 . 1 1 150 150 VAL CG1 C 13 22.334 0.0 . 2 . . . . . 150 VAL CG1 . 16248 1 1709 . 1 1 150 150 VAL CG2 C 13 20.575 0.0 . 2 . . . . . 150 VAL CG2 . 16248 1 1710 . 1 1 150 150 VAL C C 13 173.418 0.0 . 1 . . . . . 150 VAL C . 16248 1 1711 . 1 1 151 151 PHE N N 15 128.869 0.0 . 1 . . . . . 151 PHE N . 16248 1 1712 . 1 1 151 151 PHE H H 1 8.764 0.0 . 1 . . . . . 151 PHE H . 16248 1 1713 . 1 1 151 151 PHE CA C 13 56.922 0.0 . 1 . . . . . 151 PHE CA . 16248 1 1714 . 1 1 151 151 PHE HA H 1 5.043 0.0 . 1 . . . . . 151 PHE HA . 16248 1 1715 . 1 1 151 151 PHE CB C 13 41.094 0.0 . 1 . . . . . 151 PHE CB . 16248 1 1716 . 1 1 151 151 PHE HB2 H 1 3.011 0.0 . 2 . . . . . 151 PHE HB2 . 16248 1 1717 . 1 1 151 151 PHE HB3 H 1 2.558 0.0 . 2 . . . . . 151 PHE HB3 . 16248 1 1718 . 1 1 151 151 PHE CD1 C 13 132.026 0.0 . 3 . . . . . 151 PHE CD1 . 16248 1 1719 . 1 1 151 151 PHE HD1 H 1 6.858 0.0 . 3 . . . . . 151 PHE HD1 . 16248 1 1720 . 1 1 151 151 PHE CD2 C 13 132.026 0.0 . 3 . . . . . 151 PHE CD2 . 16248 1 1721 . 1 1 151 151 PHE HD2 H 1 6.858 0.0 . 3 . . . . . 151 PHE HD2 . 16248 1 1722 . 1 1 151 151 PHE C C 13 172.826 0.0 . 1 . . . . . 151 PHE C . 16248 1 1723 . 1 1 152 152 LEU N N 15 128.096 0.0 . 1 . . . . . 152 LEU N . 16248 1 1724 . 1 1 152 152 LEU H H 1 8.657 0.0 . 1 . . . . . 152 LEU H . 16248 1 1725 . 1 1 152 152 LEU CA C 13 52.819 0.0 . 1 . . . . . 152 LEU CA . 16248 1 1726 . 1 1 152 152 LEU HA H 1 5.014 0.0 . 1 . . . . . 152 LEU HA . 16248 1 1727 . 1 1 152 152 LEU CB C 13 45.784 0.0 . 1 . . . . . 152 LEU CB . 16248 1 1728 . 1 1 152 152 LEU HB2 H 1 1.392 0.0 . 2 . . . . . 152 LEU HB2 . 16248 1 1729 . 1 1 152 152 LEU HB3 H 1 1.272 0.0 . 2 . . . . . 152 LEU HB3 . 16248 1 1730 . 1 1 152 152 LEU CG C 13 27.024 0.0 . 1 . . . . . 152 LEU CG . 16248 1 1731 . 1 1 152 152 LEU HG H 1 1.393 0.0 . 1 . . . . . 152 LEU HG . 16248 1 1732 . 1 1 152 152 LEU HD13 H 1 0.812 0.0 . 2 . . . . . 152 LEU HD1 . 16248 1 1733 . 1 1 152 152 LEU HD12 H 1 0.812 0.0 . 2 . . . . . 152 LEU HD1 . 16248 1 1734 . 1 1 152 152 LEU HD11 H 1 0.812 0.0 . 2 . . . . . 152 LEU HD1 . 16248 1 1735 . 1 1 152 152 LEU HD21 H 1 0.694 0.0 . 2 . . . . . 152 LEU HD2 . 16248 1 1736 . 1 1 152 152 LEU HD22 H 1 0.694 0.0 . 2 . . . . . 152 LEU HD2 . 16248 1 1737 . 1 1 152 152 LEU HD23 H 1 0.694 0.0 . 2 . . . . . 152 LEU HD2 . 16248 1 1738 . 1 1 152 152 LEU CD1 C 13 23.506 0.0 . 2 . . . . . 152 LEU CD1 . 16248 1 1739 . 1 1 152 152 LEU CD2 C 13 25.851 0.0 . 2 . . . . . 152 LEU CD2 . 16248 1 1740 . 1 1 152 152 LEU C C 13 175.253 0.0 . 1 . . . . . 152 LEU C . 16248 1 1741 . 1 1 153 153 THR N N 15 110.644 0.0 . 1 . . . . . 153 THR N . 16248 1 1742 . 1 1 153 153 THR H H 1 8.178 0.0 . 1 . . . . . 153 THR H . 16248 1 1743 . 1 1 153 153 THR CA C 13 60.44 0.0 . 1 . . . . . 153 THR CA . 16248 1 1744 . 1 1 153 153 THR HA H 1 4.215 0.0 . 1 . . . . . 153 THR HA . 16248 1 1745 . 1 1 153 153 THR CB C 13 70.406 0.0 . 1 . . . . . 153 THR CB . 16248 1 1746 . 1 1 153 153 THR HB H 1 4.076 0.0 . 1 . . . . . 153 THR HB . 16248 1 1747 . 1 1 153 153 THR HG23 H 1 1.127 0.0 . 1 . . . . . 153 THR HG2 . 16248 1 1748 . 1 1 153 153 THR HG21 H 1 1.127 0.0 . 1 . . . . . 153 THR HG2 . 16248 1 1749 . 1 1 153 153 THR HG22 H 1 1.127 0.0 . 1 . . . . . 153 THR HG2 . 16248 1 1750 . 1 1 153 153 THR HG1 H 1 6.834 0.0 . 1 . . . . . 153 THR HG1 . 16248 1 1751 . 1 1 153 153 THR CG2 C 13 21.161 0.0 . 1 . . . . . 153 THR CG2 . 16248 1 1752 . 1 1 153 153 THR C C 13 174.352 0.0 . 1 . . . . . 153 THR C . 16248 1 1753 . 1 1 154 154 GLY N N 15 109.387 0.0 . 1 . . . . . 154 GLY N . 16248 1 1754 . 1 1 154 154 GLY H H 1 8.113 0.0 . 1 . . . . . 154 GLY H . 16248 1 1755 . 1 1 154 154 GLY CA C 13 44.543 0.0 . 1 . . . . . 154 GLY CA . 16248 1 1756 . 1 1 154 154 GLY HA2 H 1 3.943 0.0 . 1 . . . . . 154 GLY HA1 . 16248 1 1757 . 1 1 154 154 GLY HA3 H 1 3.943 0.0 . 2 . . . . . 154 GLY HA2 . 16248 1 1758 . 1 1 154 154 GLY C C 13 171.576 0.0 . 1 . . . . . 154 GLY C . 16248 1 1759 . 1 1 155 155 PRO CD C 13 49.881 0.0 . 1 . . . . . 155 PRO CD . 16248 1 1760 . 1 1 155 155 PRO CA C 13 63.102 0.0 . 1 . . . . . 155 PRO CA . 16248 1 1761 . 1 1 155 155 PRO HA H 1 4.407 0.0 . 1 . . . . . 155 PRO HA . 16248 1 1762 . 1 1 155 155 PRO CB C 13 32.447 0.0 . 1 . . . . . 155 PRO CB . 16248 1 1763 . 1 1 155 155 PRO HB2 H 1 2.252 0.0 . 2 . . . . . 155 PRO HB2 . 16248 1 1764 . 1 1 155 155 PRO HB3 H 1 1.826 0.0 . 2 . . . . . 155 PRO HB3 . 16248 1 1765 . 1 1 155 155 PRO CG C 13 27.384 0.0 . 1 . . . . . 155 PRO CG . 16248 1 1766 . 1 1 155 155 PRO HG2 H 1 2.02 0.0 . 2 . . . . . 155 PRO HG2 . 16248 1 1767 . 1 1 155 155 PRO HG3 H 1 1.96 0.0 . 2 . . . . . 155 PRO HG3 . 16248 1 1768 . 1 1 155 155 PRO HD2 H 1 3.535 0.0 . 2 . . . . . 155 PRO HD2 . 16248 1 1769 . 1 1 155 155 PRO HD3 H 1 3.446 0.0 . 2 . . . . . 155 PRO HD3 . 16248 1 1770 . 1 1 155 155 PRO C C 13 176.966 0.0 . 1 . . . . . 155 PRO C . 16248 1 1771 . 1 1 156 156 LYS N N 15 121.922 0.0 . 1 . . . . . 156 LYS N . 16248 1 1772 . 1 1 156 156 LYS H H 1 8.457 0.0 . 1 . . . . . 156 LYS H . 16248 1 1773 . 1 1 156 156 LYS C C 13 176.722 0.0 . 1 . . . . . 156 LYS C . 16248 1 1774 . 1 1 157 157 GLN N N 15 122.509 0.0 . 1 . . . . . 157 GLN N . 16248 1 1775 . 1 1 157 157 GLN H H 1 8.579 0.0 . 1 . . . . . 157 GLN H . 16248 1 1776 . 1 1 157 157 GLN CA C 13 55.749 0.0 . 1 . . . . . 157 GLN CA . 16248 1 1777 . 1 1 157 157 GLN HA H 1 4.251 0.0 . 1 . . . . . 157 GLN HA . 16248 1 1778 . 1 1 157 157 GLN CB C 13 29.634 0.0 . 1 . . . . . 157 GLN CB . 16248 1 1779 . 1 1 157 157 GLN HB2 H 1 2.043 0.0 . 2 . . . . . 157 GLN HB2 . 16248 1 1780 . 1 1 157 157 GLN HB3 H 1 1.908 0.0 . 2 . . . . . 157 GLN HB3 . 16248 1 1781 . 1 1 157 157 GLN CG C 13 33.854 0.0 . 1 . . . . . 157 GLN CG . 16248 1 1782 . 1 1 157 157 GLN HG2 H 1 2.3 0.0 . 2 . . . . . 157 GLN HG2 . 16248 1 1783 . 1 1 157 157 GLN HG3 H 1 2.3 0.0 . 2 . . . . . 157 GLN HG3 . 16248 1 1784 . 1 1 157 157 GLN C C 13 176.292 0.0 . 1 . . . . . 157 GLN C . 16248 1 1785 . 1 1 158 158 GLY N N 15 111.357 0.0 . 1 . . . . . 158 GLY N . 16248 1 1786 . 1 1 158 158 GLY H H 1 8.527 0.0 . 1 . . . . . 158 GLY H . 16248 1 1787 . 1 1 158 158 GLY CA C 13 45.106 0.0 . 1 . . . . . 158 GLY CA . 16248 1 1788 . 1 1 158 158 GLY HA2 H 1 3.972 0.0 . 1 . . . . . 158 GLY HA1 . 16248 1 1789 . 1 1 158 158 GLY HA3 H 1 3.972 0.0 . 2 . . . . . 158 GLY HA2 . 16248 1 1790 . 1 1 158 158 GLY C C 13 173.962 0.0 . 1 . . . . . 158 GLY C . 16248 1 1791 . 1 1 159 159 GLU N N 15 120.36 0.0 . 1 . . . . . 159 GLU N . 16248 1 1792 . 1 1 159 159 GLU H H 1 8.238 0.0 . 1 . . . . . 159 GLU H . 16248 1 1793 . 1 1 159 159 GLU CA C 13 56.351 0.0 . 1 . . . . . 159 GLU CA . 16248 1 1794 . 1 1 159 159 GLU HA H 1 4.276 0.0 . 1 . . . . . 159 GLU HA . 16248 1 1795 . 1 1 159 159 GLU CB C 13 30.197 0.0 . 1 . . . . . 159 GLU CB . 16248 1 1796 . 1 1 159 159 GLU HB2 H 1 2.009 0.0 . 2 . . . . . 159 GLU HB2 . 16248 1 1797 . 1 1 159 159 GLU HB3 H 1 1.889 0.0 . 2 . . . . . 159 GLU HB3 . 16248 1 1798 . 1 1 159 159 GLU CG C 13 36.385 0.0 . 1 . . . . . 159 GLU CG . 16248 1 1799 . 1 1 159 159 GLU HG2 H 1 2.231 0.0 . 2 . . . . . 159 GLU HG2 . 16248 1 1800 . 1 1 159 159 GLU HG3 H 1 2.231 0.0 . 2 . . . . . 159 GLU HG3 . 16248 1 1801 . 1 1 159 159 GLU C C 13 176.268 0.0 . 1 . . . . . 159 GLU C . 16248 1 1802 . 1 1 160 160 ASP N N 15 121.317 0.0 . 1 . . . . . 160 ASP N . 16248 1 1803 . 1 1 160 160 ASP H H 1 8.419 0.0 . 1 . . . . . 160 ASP H . 16248 1 1804 . 1 1 160 160 ASP CA C 13 53.405 0.0 . 1 . . . . . 160 ASP CA . 16248 1 1805 . 1 1 160 160 ASP HA H 1 4.642 0.0 . 1 . . . . . 160 ASP HA . 16248 1 1806 . 1 1 160 160 ASP CB C 13 40.042 0.0 . 1 . . . . . 160 ASP CB . 16248 1 1807 . 1 1 160 160 ASP HB2 H 1 2.728 0.0 . 2 . . . . . 160 ASP HB2 . 16248 1 1808 . 1 1 160 160 ASP HB3 H 1 2.728 0.0 . 2 . . . . . 160 ASP HB3 . 16248 1 1809 . 1 1 160 160 ASP C C 13 176.057 0.0 . 1 . . . . . 160 ASP C . 16248 1 1810 . 1 1 161 161 ASP N N 15 121.738 0.0 . 1 . . . . . 161 ASP N . 16248 1 1811 . 1 1 161 161 ASP H H 1 8.279 0.0 . 1 . . . . . 161 ASP H . 16248 1 1812 . 1 1 161 161 ASP CA C 13 53.819 0.0 . 1 . . . . . 161 ASP CA . 16248 1 1813 . 1 1 161 161 ASP HA H 1 4.539 0.0 . 1 . . . . . 161 ASP HA . 16248 1 1814 . 1 1 161 161 ASP CB C 13 41.167 0.0 . 1 . . . . . 161 ASP CB . 16248 1 1815 . 1 1 161 161 ASP HB2 H 1 2.671 0.0 . 2 . . . . . 161 ASP HB2 . 16248 1 1816 . 1 1 161 161 ASP HB3 H 1 2.677 0.0 . 2 . . . . . 161 ASP HB3 . 16248 1 1817 . 1 1 161 161 ASP C C 13 177.217 0.0 . 1 . . . . . 161 ASP C . 16248 1 1818 . 1 1 162 162 GLY N N 15 109.574 0.0 . 1 . . . . . 162 GLY N . 16248 1 1819 . 1 1 162 162 GLY H H 1 8.491 0.0 . 1 . . . . . 162 GLY H . 16248 1 1820 . 1 1 162 162 GLY CA C 13 45.387 0.0 . 1 . . . . . 162 GLY CA . 16248 1 1821 . 1 1 162 162 GLY HA2 H 1 3.98 0.0 . 1 . . . . . 162 GLY HA1 . 16248 1 1822 . 1 1 162 162 GLY HA3 H 1 3.98 0.0 . 2 . . . . . 162 GLY HA2 . 16248 1 1823 . 1 1 162 162 GLY C C 13 174.888 0.0 . 1 . . . . . 162 GLY C . 16248 1 1824 . 1 1 163 163 SER N N 15 115.977 0.0 . 1 . . . . . 163 SER N . 16248 1 1825 . 1 1 163 163 SER H H 1 8.232 0.0 . 1 . . . . . 163 SER H . 16248 1 1826 . 1 1 163 163 SER CA C 13 58.602 0.0 . 1 . . . . . 163 SER CA . 16248 1 1827 . 1 1 163 163 SER HA H 1 4.435 0.0 . 1 . . . . . 163 SER HA . 16248 1 1828 . 1 1 163 163 SER CB C 13 63.665 0.0 . 1 . . . . . 163 SER CB . 16248 1 1829 . 1 1 163 163 SER HB2 H 1 3.841 0.0 . 2 . . . . . 163 SER HB2 . 16248 1 1830 . 1 1 163 163 SER HB3 H 1 3.841 0.0 . 2 . . . . . 163 SER HB3 . 16248 1 1831 . 1 1 163 163 SER C C 13 175.212 0.0 . 1 . . . . . 163 SER C . 16248 1 1832 . 1 1 164 164 THR N N 15 115.021 0.0 . 1 . . . . . 164 THR N . 16248 1 1833 . 1 1 164 164 THR H H 1 8.204 0.0 . 1 . . . . . 164 THR H . 16248 1 1834 . 1 1 164 164 THR CA C 13 61.696 0.0 . 1 . . . . . 164 THR CA . 16248 1 1835 . 1 1 164 164 THR HA H 1 4.321 0.0 . 1 . . . . . 164 THR HA . 16248 1 1836 . 1 1 164 164 THR CB C 13 69.572 0.0 . 1 . . . . . 164 THR CB . 16248 1 1837 . 1 1 164 164 THR HB H 1 4.21 0.0 . 1 . . . . . 164 THR HB . 16248 1 1838 . 1 1 164 164 THR HG22 H 1 1.174 0.0 . 1 . . . . . 164 THR HG2 . 16248 1 1839 . 1 1 164 164 THR HG21 H 1 1.174 0.0 . 1 . . . . . 164 THR HG2 . 16248 1 1840 . 1 1 164 164 THR HG23 H 1 1.174 0.0 . 1 . . . . . 164 THR HG2 . 16248 1 1841 . 1 1 164 164 THR CG2 C 13 21.476 0.0 . 1 . . . . . 164 THR CG2 . 16248 1 1842 . 1 1 164 164 THR C C 13 175.22 0.0 . 1 . . . . . 164 THR C . 16248 1 1843 . 1 1 165 165 GLY N N 15 111.108 0.0 . 1 . . . . . 165 GLY N . 16248 1 1844 . 1 1 165 165 GLY H H 1 8.324 0.0 . 1 . . . . . 165 GLY H . 16248 1 1845 . 1 1 165 165 GLY C C 13 174.206 0.0 . 1 . . . . . 165 GLY C . 16248 1 1846 . 1 1 166 166 GLY N N 15 111.064 0.0 . 1 . . . . . 166 GLY N . 16248 1 1847 . 1 1 166 166 GLY H H 1 8.293 0.0 . 1 . . . . . 166 GLY H . 16248 1 1848 . 1 1 166 166 GLY C C 13 171.673 0.0 . 1 . . . . . 166 GLY C . 16248 1 stop_ save_