data_26843 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26843 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for NCP15 nucleocapsid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-04 _Entry.Accession_date 2016-07-04 _Entry.Last_release_date 2016-08-23 _Entry.Original_release_date 2016-08-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _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 Valery LARUE . . . . 26843 2 Carine TISNE . . . . 26843 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'LCRB UMR8015 CNRS' . 26843 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26843 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 26843 '15N chemical shifts' 104 26843 '1H chemical shifts' 283 26843 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 3 . . 2018-05-18 2016-07-04 update BMRB 'update entry citation' 26843 2 . . 2017-01-19 2016-07-04 update author 'update assignments' 26843 1 . . 2016-08-23 2016-07-04 original author 'original release' 26843 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26843 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-017-9796-x _Citation.PubMed_ID 29332151 _Citation.Full_citation . _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 139 _Citation.Page_last 143 _Citation.Year 2018 _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 Valery Larue V. . . . 26843 1 2 Marjorie Catala M. . . . 26843 1 3 Anissa Belfetmi A. . . . 26843 1 4 Loussine Zargarian L. . . . 26843 1 5 Olivier Mauffret O. . . . 26843 1 6 Carine Tisne C. . . . 26843 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26843 _Assembly.ID 1 _Assembly.Name 'NCP15 + Zncl2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 NCP15 1 $HIV-1_NCP15_Nucleocapsid A . yes native no no . . . 26843 1 2 ZnCl2 2 $entity_ZN A . no native no no . . . 26843 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-1_NCP15_Nucleocapsid _Entity.Sf_category entity _Entity.Sf_framecode HIV-1_NCP15_Nucleocapsid _Entity.Entry_ID 26843 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIV-1_NCP15_Nucleocapsid _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IQKGNFRNQRKTVKCFNCGK EGHIAKNCRAPRKKGCWKCG KEGHQMKDCTERQANFLGKI WPSHKGRPGNFLQSRPEPTA PPEESFRFGEETTTPSQKQE PIDKELYPLASLRSLFGSDP SSQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'C-terminal domain of Pr55Gag' 26843 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ILE . 26843 1 2 2 GLN . 26843 1 3 3 LYS . 26843 1 4 4 GLY . 26843 1 5 5 ASN . 26843 1 6 6 PHE . 26843 1 7 7 ARG . 26843 1 8 8 ASN . 26843 1 9 9 GLN . 26843 1 10 10 ARG . 26843 1 11 11 LYS . 26843 1 12 12 THR . 26843 1 13 13 VAL . 26843 1 14 14 LYS . 26843 1 15 15 CYS . 26843 1 16 16 PHE . 26843 1 17 17 ASN . 26843 1 18 18 CYS . 26843 1 19 19 GLY . 26843 1 20 20 LYS . 26843 1 21 21 GLU . 26843 1 22 22 GLY . 26843 1 23 23 HIS . 26843 1 24 24 ILE . 26843 1 25 25 ALA . 26843 1 26 26 LYS . 26843 1 27 27 ASN . 26843 1 28 28 CYS . 26843 1 29 29 ARG . 26843 1 30 30 ALA . 26843 1 31 31 PRO . 26843 1 32 32 ARG . 26843 1 33 33 LYS . 26843 1 34 34 LYS . 26843 1 35 35 GLY . 26843 1 36 36 CYS . 26843 1 37 37 TRP . 26843 1 38 38 LYS . 26843 1 39 39 CYS . 26843 1 40 40 GLY . 26843 1 41 41 LYS . 26843 1 42 42 GLU . 26843 1 43 43 GLY . 26843 1 44 44 HIS . 26843 1 45 45 GLN . 26843 1 46 46 MET . 26843 1 47 47 LYS . 26843 1 48 48 ASP . 26843 1 49 49 CYS . 26843 1 50 50 THR . 26843 1 51 51 GLU . 26843 1 52 52 ARG . 26843 1 53 53 GLN . 26843 1 54 54 ALA . 26843 1 55 55 ASN . 26843 1 56 56 PHE . 26843 1 57 57 LEU . 26843 1 58 58 GLY . 26843 1 59 59 LYS . 26843 1 60 60 ILE . 26843 1 61 61 TRP . 26843 1 62 62 PRO . 26843 1 63 63 SER . 26843 1 64 64 HIS . 26843 1 65 65 LYS . 26843 1 66 66 GLY . 26843 1 67 67 ARG . 26843 1 68 68 PRO . 26843 1 69 69 GLY . 26843 1 70 70 ASN . 26843 1 71 71 PHE . 26843 1 72 72 LEU . 26843 1 73 73 GLN . 26843 1 74 74 SER . 26843 1 75 75 ARG . 26843 1 76 76 PRO . 26843 1 77 77 GLU . 26843 1 78 78 PRO . 26843 1 79 79 THR . 26843 1 80 80 ALA . 26843 1 81 81 PRO . 26843 1 82 82 PRO . 26843 1 83 83 GLU . 26843 1 84 84 GLU . 26843 1 85 85 SER . 26843 1 86 86 PHE . 26843 1 87 87 ARG . 26843 1 88 88 PHE . 26843 1 89 89 GLY . 26843 1 90 90 GLU . 26843 1 91 91 GLU . 26843 1 92 92 THR . 26843 1 93 93 THR . 26843 1 94 94 THR . 26843 1 95 95 PRO . 26843 1 96 96 SER . 26843 1 97 97 GLN . 26843 1 98 98 LYS . 26843 1 99 99 GLN . 26843 1 100 100 GLU . 26843 1 101 101 PRO . 26843 1 102 102 ILE . 26843 1 103 103 ASP . 26843 1 104 104 LYS . 26843 1 105 105 GLU . 26843 1 106 106 LEU . 26843 1 107 107 TYR . 26843 1 108 108 PRO . 26843 1 109 109 LEU . 26843 1 110 110 ALA . 26843 1 111 111 SER . 26843 1 112 112 LEU . 26843 1 113 113 ARG . 26843 1 114 114 SER . 26843 1 115 115 LEU . 26843 1 116 116 PHE . 26843 1 117 117 GLY . 26843 1 118 118 SER . 26843 1 119 119 ASP . 26843 1 120 120 PRO . 26843 1 121 121 SER . 26843 1 122 122 SER . 26843 1 123 123 GLN . 26843 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 . ILE 1 1 26843 1 . GLN 2 2 26843 1 . LYS 3 3 26843 1 . GLY 4 4 26843 1 . ASN 5 5 26843 1 . PHE 6 6 26843 1 . ARG 7 7 26843 1 . ASN 8 8 26843 1 . GLN 9 9 26843 1 . ARG 10 10 26843 1 . LYS 11 11 26843 1 . THR 12 12 26843 1 . VAL 13 13 26843 1 . LYS 14 14 26843 1 . CYS 15 15 26843 1 . PHE 16 16 26843 1 . ASN 17 17 26843 1 . CYS 18 18 26843 1 . GLY 19 19 26843 1 . LYS 20 20 26843 1 . GLU 21 21 26843 1 . GLY 22 22 26843 1 . HIS 23 23 26843 1 . ILE 24 24 26843 1 . ALA 25 25 26843 1 . LYS 26 26 26843 1 . ASN 27 27 26843 1 . CYS 28 28 26843 1 . ARG 29 29 26843 1 . ALA 30 30 26843 1 . PRO 31 31 26843 1 . ARG 32 32 26843 1 . LYS 33 33 26843 1 . LYS 34 34 26843 1 . GLY 35 35 26843 1 . CYS 36 36 26843 1 . TRP 37 37 26843 1 . LYS 38 38 26843 1 . CYS 39 39 26843 1 . GLY 40 40 26843 1 . LYS 41 41 26843 1 . GLU 42 42 26843 1 . GLY 43 43 26843 1 . HIS 44 44 26843 1 . GLN 45 45 26843 1 . MET 46 46 26843 1 . LYS 47 47 26843 1 . ASP 48 48 26843 1 . CYS 49 49 26843 1 . THR 50 50 26843 1 . GLU 51 51 26843 1 . ARG 52 52 26843 1 . GLN 53 53 26843 1 . ALA 54 54 26843 1 . ASN 55 55 26843 1 . PHE 56 56 26843 1 . LEU 57 57 26843 1 . GLY 58 58 26843 1 . LYS 59 59 26843 1 . ILE 60 60 26843 1 . TRP 61 61 26843 1 . PRO 62 62 26843 1 . SER 63 63 26843 1 . HIS 64 64 26843 1 . LYS 65 65 26843 1 . GLY 66 66 26843 1 . ARG 67 67 26843 1 . PRO 68 68 26843 1 . GLY 69 69 26843 1 . ASN 70 70 26843 1 . PHE 71 71 26843 1 . LEU 72 72 26843 1 . GLN 73 73 26843 1 . SER 74 74 26843 1 . ARG 75 75 26843 1 . PRO 76 76 26843 1 . GLU 77 77 26843 1 . PRO 78 78 26843 1 . THR 79 79 26843 1 . ALA 80 80 26843 1 . PRO 81 81 26843 1 . PRO 82 82 26843 1 . GLU 83 83 26843 1 . GLU 84 84 26843 1 . SER 85 85 26843 1 . PHE 86 86 26843 1 . ARG 87 87 26843 1 . PHE 88 88 26843 1 . GLY 89 89 26843 1 . GLU 90 90 26843 1 . GLU 91 91 26843 1 . THR 92 92 26843 1 . THR 93 93 26843 1 . THR 94 94 26843 1 . PRO 95 95 26843 1 . SER 96 96 26843 1 . GLN 97 97 26843 1 . LYS 98 98 26843 1 . GLN 99 99 26843 1 . GLU 100 100 26843 1 . PRO 101 101 26843 1 . ILE 102 102 26843 1 . ASP 103 103 26843 1 . LYS 104 104 26843 1 . GLU 105 105 26843 1 . LEU 106 106 26843 1 . TYR 107 107 26843 1 . PRO 108 108 26843 1 . LEU 109 109 26843 1 . ALA 110 110 26843 1 . SER 111 111 26843 1 . LEU 112 112 26843 1 . ARG 113 113 26843 1 . SER 114 114 26843 1 . LEU 115 115 26843 1 . PHE 116 116 26843 1 . GLY 117 117 26843 1 . SER 118 118 26843 1 . ASP 119 119 26843 1 . PRO 120 120 26843 1 . SER 121 121 26843 1 . SER 122 122 26843 1 . GLN 123 123 26843 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 26843 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 26843 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 26843 2 ZN 'Three letter code' 26843 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 26843 2 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 26843 _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 $HIV-1_NCP15_Nucleocapsid . 12721 virus . 'Human immunodeficiency virus' HIV . . Viruses . Lentivirus HIV . . . . . . . . . . . . . 26843 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 26843 _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 $HIV-1_NCP15_Nucleocapsid . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)star . . . . . pET3a . . . 26843 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 26843 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 InChI=1S/Zn/q+2 InChI InChI 1.03 26843 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 26843 ZN [Zn++] SMILES CACTVS 3.341 26843 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 26843 ZN [Zn+2] SMILES ACDLabs 10.04 26843 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 26843 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26843 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 26843 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26843 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26843 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26843 _Sample.ID 1 _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 'NCP15 Nucleocapsid' '[U-100% 13C; U-100% 15N]' . . 1 $HIV-1_NCP15_Nucleocapsid . . 0.8 . . mM . . . . 26843 1 2 'acetate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 26843 1 3 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 26843 1 4 ZnCl2 'natural abundance' . . 2 $entity_ZN . . 0.1 . . mM . . . . 26843 1 5 Mercaptoethanol 'natural abundance' . . . . . . 0.1 . . mM . . . . 26843 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26843 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26843 1 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 26843 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 15N/13C-labeled in a 25 mM deuterated Acetate buffer pH 6.5 in 90% H2O / 10% 2H2O with 25mM NaCl, 0,1mM ZnCl2 and 0,1mM Mercaptoethanol. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 26843 1 pH 6.5 . pH 26843 1 pressure 1 . atm 26843 1 temperature 283 . K 26843 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26843 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26843 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26843 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 26843 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26843 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26843 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 950 . . . 26843 1 2 spectrometer_2 Bruker Avance . 600 . . . 26843 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 26843 _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 . . . . . . . . . . . . . . . . . . . . . 26843 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 1 9 '3D HN(CA)CO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26843 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 26843 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'TSP internal reference' 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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449519 . . . . . 26843 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26843 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329112 . . . . . 26843 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26843 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 . _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 HNCA' . . . 26843 1 5 '3D HNCACB' . . . 26843 1 7 '3D 1H-15N NOESY' . . . 26843 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 GLN H H 1 8.68 0.01 . 1 . . . . . 2 Gln H . 26843 1 2 . 1 1 2 2 GLN N N 15 125.8 0.2 . 1 . . . . . 2 Gln N . 26843 1 3 . 1 1 3 3 LYS H H 1 8.71 0.01 . 1 . . . . . 3 Lys H . 26843 1 4 . 1 1 3 3 LYS N N 15 124.7 0.2 . 1 . . . . . 3 Lys N . 26843 1 5 . 1 1 4 4 GLY H H 1 8.54 0.01 . 1 . . . . . 4 Gly H . 26843 1 6 . 1 1 4 4 GLY HA2 H 1 3.89 0.01 . 1 . . . . . 4 Gly HA2 . 26843 1 7 . 1 1 4 4 GLY N N 15 110.2 0.2 . 1 . . . . . 4 Gly N . 26843 1 8 . 1 1 5 5 ASN H H 1 8.37 0.01 . 1 . . . . . 5 Asn H . 26843 1 9 . 1 1 5 5 ASN HA H 1 4.66 0.01 . 1 . . . . . 5 Asn HA . 26843 1 10 . 1 1 5 5 ASN HB2 H 1 2.70 0.01 . 1 . . . . . 5 Asn HB2 . 26843 1 11 . 1 1 5 5 ASN N N 15 118.6 0.2 . 1 . . . . . 5 Asn N . 26843 1 12 . 1 1 8 8 ASN H H 1 8.44 0.01 . 1 . . . . . 8 Asn H . 26843 1 13 . 1 1 8 8 ASN N N 15 119.4 0.2 . 1 . . . . . 8 Asn N . 26843 1 14 . 1 1 9 9 GLN H H 1 8.39 0.01 . 1 . . . . . 9 Gln H . 26843 1 15 . 1 1 9 9 GLN N N 15 120.9 0.2 . 1 . . . . . 9 Gln N . 26843 1 16 . 1 1 10 10 ARG H H 1 8.47 0.01 . 1 . . . . . 10 Arg H . 26843 1 17 . 1 1 10 10 ARG N N 15 122.8 0.2 . 1 . . . . . 10 Arg N . 26843 1 18 . 1 1 11 11 LYS C C 13 176.5 0.1 . 1 . . . . . 11 Lys C . 26843 1 19 . 1 1 11 11 LYS CA C 13 56.00 0.1 . 1 . . . . . 11 Lys CA . 26843 1 20 . 1 1 11 11 LYS CB C 13 32.94 0.1 . 1 . . . . . 11 Lys CB . 26843 1 21 . 1 1 12 12 THR H H 1 8.34 0.01 . 1 . . . . . 12 Thr H . 26843 1 22 . 1 1 12 12 THR HA H 1 4.35 0.01 . 1 . . . . . 12 Thr HA . 26843 1 23 . 1 1 12 12 THR HB H 1 4.04 0.01 . 1 . . . . . 12 Thr HB . 26843 1 24 . 1 1 12 12 THR C C 13 174.1 0.1 . 1 . . . . . 12 Thr C . 26843 1 25 . 1 1 12 12 THR CA C 13 61.69 0.1 . 1 . . . . . 12 Thr CA . 26843 1 26 . 1 1 12 12 THR CB C 13 69.75 0.1 . 1 . . . . . 12 Thr CB . 26843 1 27 . 1 1 12 12 THR N N 15 118.0 0.2 . 1 . . . . . 12 Thr N . 26843 1 28 . 1 1 13 13 VAL H H 1 8.53 0.01 . 1 . . . . . 13 Val H . 26843 1 29 . 1 1 13 13 VAL HA H 1 4.15 0.01 . 1 . . . . . 13 Val HA . 26843 1 30 . 1 1 13 13 VAL C C 13 174.5 0.1 . 1 . . . . . 13 Val C . 26843 1 31 . 1 1 13 13 VAL CA C 13 61.40 0.1 . 1 . . . . . 13 Val CA . 26843 1 32 . 1 1 13 13 VAL CB C 13 32.78 0.1 . 1 . . . . . 13 Val CB . 26843 1 33 . 1 1 13 13 VAL N N 15 123.5 0.2 . 1 . . . . . 13 Val N . 26843 1 34 . 1 1 14 14 LYS H H 1 8.26 0.01 . 1 . . . . . 14 Lys H . 26843 1 35 . 1 1 14 14 LYS HA H 1 4.42 0.01 . 1 . . . . . 14 Lys HA . 26843 1 36 . 1 1 14 14 LYS C C 13 174.6 0.1 . 1 . . . . . 14 Lys C . 26843 1 37 . 1 1 14 14 LYS CA C 13 54.75 0.1 . 1 . . . . . 14 Lys CA . 26843 1 38 . 1 1 14 14 LYS CB C 13 35.12 0.1 . 1 . . . . . 14 Lys CB . 26843 1 39 . 1 1 14 14 LYS N N 15 124.9 0.2 . 1 . . . . . 14 Lys N . 26843 1 40 . 1 1 15 15 CYS H H 1 8.30 0.01 . 1 . . . . . 15 Cys H . 26843 1 41 . 1 1 15 15 CYS HA H 1 4.56 0.01 . 1 . . . . . 15 Cys HA . 26843 1 42 . 1 1 15 15 CYS C C 13 178.6 0.1 . 1 . . . . . 15 Cys C . 26843 1 43 . 1 1 15 15 CYS CA C 13 59.28 0.1 . 1 . . . . . 15 Cys CA . 26843 1 44 . 1 1 15 15 CYS CB C 13 29.82 0.1 . 1 . . . . . 15 Cys CB . 26843 1 45 . 1 1 15 15 CYS N N 15 127.1 0.2 . 1 . . . . . 15 Cys N . 26843 1 46 . 1 1 16 16 PHE H H 1 8.78 0.01 . 1 . . . . . 16 Phe H . 26843 1 47 . 1 1 16 16 PHE HA H 1 4.56 0.01 . 1 . . . . . 16 Phe HA . 26843 1 48 . 1 1 16 16 PHE HB2 H 1 3.14 0.01 . 1 . . . . . 16 Phe HB2 . 26843 1 49 . 1 1 16 16 PHE C C 13 175.8 0.1 . 1 . . . . . 16 Phe C . 26843 1 50 . 1 1 16 16 PHE CA C 13 58.99 0.1 . 1 . . . . . 16 Phe CA . 26843 1 51 . 1 1 16 16 PHE CB C 13 38.46 0.1 . 1 . . . . . 16 Phe CB . 26843 1 52 . 1 1 16 16 PHE N N 15 128.9 0.2 . 1 . . . . . 16 Phe N . 26843 1 53 . 1 1 17 17 ASN H H 1 9.62 0.01 . 1 . . . . . 17 Asn H . 26843 1 54 . 1 1 17 17 ASN HA H 1 4.73 0.01 . 1 . . . . . 17 Asn HA . 26843 1 55 . 1 1 17 17 ASN HB2 H 1 3.15 0.01 . 2 . . . . . 17 Asn HB2 . 26843 1 56 . 1 1 17 17 ASN HB3 H 1 2.54 0.01 . 2 . . . . . 17 Asn HB3 . 26843 1 57 . 1 1 17 17 ASN C C 13 175.4 0.1 . 1 . . . . . 17 Asn C . 26843 1 58 . 1 1 17 17 ASN CA C 13 56.71 0.1 . 1 . . . . . 17 Asn CA . 26843 1 59 . 1 1 17 17 ASN CB C 13 39.97 0.1 . 1 . . . . . 17 Asn CB . 26843 1 60 . 1 1 17 17 ASN N N 15 121.7 0.2 . 1 . . . . . 17 Asn N . 26843 1 61 . 1 1 18 18 CYS H H 1 8.92 0.01 . 1 . . . . . 18 Cys H . 26843 1 62 . 1 1 18 18 CYS C C 13 176.6 0.1 . 1 . . . . . 18 Cys C . 26843 1 63 . 1 1 18 18 CYS CA C 13 58.44 0.1 . 1 . . . . . 18 Cys CA . 26843 1 64 . 1 1 18 18 CYS CB C 13 32.07 0.1 . 1 . . . . . 18 Cys CB . 26843 1 65 . 1 1 18 18 CYS N N 15 117.2 0.2 . 1 . . . . . 18 Cys N . 26843 1 66 . 1 1 19 19 GLY H H 1 7.94 0.01 . 1 . . . . . 19 Gly H . 26843 1 67 . 1 1 19 19 GLY HA2 H 1 3.98 0.01 . 2 . . . . . 19 Gly HA2 . 26843 1 68 . 1 1 19 19 GLY HA3 H 1 3.72 0.01 . 2 . . . . . 19 Gly HA3 . 26843 1 69 . 1 1 19 19 GLY C C 13 173.8 0.1 . 1 . . . . . 19 Gly C . 26843 1 70 . 1 1 19 19 GLY CA C 13 46.08 0.1 . 1 . . . . . 19 Gly CA . 26843 1 71 . 1 1 19 19 GLY N N 15 113.5 0.2 . 1 . . . . . 19 Gly N . 26843 1 72 . 1 1 20 20 LYS H H 1 8.15 0.01 . 1 . . . . . 20 Lys H . 26843 1 73 . 1 1 20 20 LYS HA H 1 4.45 0.01 . 1 . . . . . 20 Lys HA . 26843 1 74 . 1 1 20 20 LYS C C 13 175.7 0.1 . 1 . . . . . 20 Lys C . 26843 1 75 . 1 1 20 20 LYS CA C 13 56.29 0.1 . 1 . . . . . 20 Lys CA . 26843 1 76 . 1 1 20 20 LYS CB C 13 33.58 0.1 . 1 . . . . . 20 Lys CB . 26843 1 77 . 1 1 20 20 LYS N N 15 120.9 0.2 . 1 . . . . . 20 Lys N . 26843 1 78 . 1 1 21 21 GLU H H 1 8.50 0.01 . 1 . . . . . 21 Glu H . 26843 1 79 . 1 1 21 21 GLU HA H 1 4.64 0.01 . 1 . . . . . 21 Glu HA . 26843 1 80 . 1 1 21 21 GLU C C 13 178.7 0.1 . 1 . . . . . 21 Glu C . 26843 1 81 . 1 1 21 21 GLU CA C 13 55.81 0.1 . 1 . . . . . 21 Glu CA . 26843 1 82 . 1 1 21 21 GLU CB C 13 30.82 0.1 . 1 . . . . . 21 Glu CB . 26843 1 83 . 1 1 21 21 GLU N N 15 118.2 0.2 . 1 . . . . . 21 Glu N . 26843 1 84 . 1 1 22 22 GLY H H 1 8.71 0.01 . 1 . . . . . 22 Gly H . 26843 1 85 . 1 1 22 22 GLY C C 13 173.7 0.1 . 1 . . . . . 22 Gly C . 26843 1 86 . 1 1 22 22 GLY CA C 13 45.66 0.1 . 1 . . . . . 22 Gly CA . 26843 1 87 . 1 1 22 22 GLY N N 15 107.6 0.2 . 1 . . . . . 22 Gly N . 26843 1 88 . 1 1 23 23 HIS H H 1 7.20 0.01 . 1 . . . . . 23 His H . 26843 1 89 . 1 1 23 23 HIS HA H 1 4.75 0.01 . 1 . . . . . 23 His HA . 26843 1 90 . 1 1 23 23 HIS C C 13 171.1 0.1 . 1 . . . . . 23 His C . 26843 1 91 . 1 1 23 23 HIS CA C 13 55.07 0.1 . 1 . . . . . 23 His CA . 26843 1 92 . 1 1 23 23 HIS CB C 13 30.14 0.1 . 1 . . . . . 23 His CB . 26843 1 93 . 1 1 23 23 HIS N N 15 114.0 0.2 . 1 . . . . . 23 His N . 26843 1 94 . 1 1 24 24 ILE H H 1 7.95 0.01 . 1 . . . . . 24 Ile H . 26843 1 95 . 1 1 24 24 ILE HA H 1 4.76 0.01 . 1 . . . . . 24 Ile HA . 26843 1 96 . 1 1 24 24 ILE C C 13 178.4 0.1 . 1 . . . . . 24 Ile C . 26843 1 97 . 1 1 24 24 ILE CA C 13 59.09 0.1 . 1 . . . . . 24 Ile CA . 26843 1 98 . 1 1 24 24 ILE CB C 13 40.71 0.1 . 1 . . . . . 24 Ile CB . 26843 1 99 . 1 1 24 24 ILE N N 15 108.5 0.2 . 1 . . . . . 24 Ile N . 26843 1 100 . 1 1 25 25 ALA H H 1 8.90 0.01 . 1 . . . . . 25 Ala H . 26843 1 101 . 1 1 25 25 ALA HA H 1 4.52 0.01 . 1 . . . . . 25 Ala HA . 26843 1 102 . 1 1 25 25 ALA HB1 H 1 0.94 0.01 . 1 . . . . . 25 Ala HB1 . 26843 1 103 . 1 1 25 25 ALA HB2 H 1 0.94 0.01 . 1 . . . . . 25 Ala HB2 . 26843 1 104 . 1 1 25 25 ALA HB3 H 1 0.94 0.01 . 1 . . . . . 25 Ala HB3 . 26843 1 105 . 1 1 25 25 ALA C C 13 180.7 0.1 . 1 . . . . . 25 Ala C . 26843 1 106 . 1 1 25 25 ALA CA C 13 56.00 0.1 . 1 . . . . . 25 Ala CA . 26843 1 107 . 1 1 25 25 ALA CB C 13 18.35 0.1 . 1 . . . . . 25 Ala CB . 26843 1 108 . 1 1 25 25 ALA N N 15 124.9 0.2 . 1 . . . . . 25 Ala N . 26843 1 109 . 1 1 26 26 LYS H H 1 8.44 0.01 . 1 . . . . . 26 Lys H . 26843 1 110 . 1 1 26 26 LYS HA H 1 4.37 0.01 . 1 . . . . . 26 Lys HA . 26843 1 111 . 1 1 26 26 LYS C C 13 176.6 0.1 . 1 . . . . . 26 Lys C . 26843 1 112 . 1 1 26 26 LYS CA C 13 58.73 0.1 . 1 . . . . . 26 Lys CA . 26843 1 113 . 1 1 26 26 LYS CB C 13 32.10 0.1 . 1 . . . . . 26 Lys CB . 26843 1 114 . 1 1 26 26 LYS N N 15 117.6 0.2 . 1 . . . . . 26 Lys N . 26843 1 115 . 1 1 27 27 ASN H H 1 7.95 0.01 . 1 . . . . . 27 Asn H . 26843 1 116 . 1 1 27 27 ASN HA H 1 5.03 0.01 . 1 . . . . . 27 Asn HA . 26843 1 117 . 1 1 27 27 ASN HB2 H 1 2.58 0.01 . 2 . . . . . 27 Asn HB2 . 26843 1 118 . 1 1 27 27 ASN HB3 H 1 3.07 0.01 . 2 . . . . . 27 Asn HB3 . 26843 1 119 . 1 1 27 27 ASN C C 13 173.9 0.1 . 1 . . . . . 27 Asn C . 26843 1 120 . 1 1 27 27 ASN CA C 13 51.70 0.1 . 1 . . . . . 27 Asn CA . 26843 1 121 . 1 1 27 27 ASN CB C 13 39.72 0.1 . 1 . . . . . 27 Asn CB . 26843 1 122 . 1 1 27 27 ASN N N 15 114.1 0.2 . 1 . . . . . 27 Asn N . 26843 1 123 . 1 1 28 28 CYS H H 1 7.74 0.01 . 1 . . . . . 28 Cys H . 26843 1 124 . 1 1 28 28 CYS HA H 1 3.75 0.01 . 1 . . . . . 28 Cys HA . 26843 1 125 . 1 1 28 28 CYS HB2 H 1 3.02 0.01 . 2 . . . . . 28 Cys HB2 . 26843 1 126 . 1 1 28 28 CYS HB3 H 1 3.38 0.01 . 2 . . . . . 28 Cys HB3 . 26843 1 127 . 1 1 28 28 CYS C C 13 176.8 0.1 . 1 . . . . . 28 Cys C . 26843 1 128 . 1 1 28 28 CYS CA C 13 62.11 0.1 . 1 . . . . . 28 Cys CA . 26843 1 129 . 1 1 28 28 CYS CB C 13 30.75 0.1 . 1 . . . . . 28 Cys CB . 26843 1 130 . 1 1 28 28 CYS N N 15 124.6 0.2 . 1 . . . . . 28 Cys N . 26843 1 131 . 1 1 29 29 ARG H H 1 8.85 0.01 . 1 . . . . . 29 Arg H . 26843 1 132 . 1 1 29 29 ARG HA H 1 4.49 0.01 . 1 . . . . . 29 Arg HA . 26843 1 133 . 1 1 29 29 ARG C C 13 175.9 0.1 . 1 . . . . . 29 Arg C . 26843 1 134 . 1 1 29 29 ARG CA C 13 55.10 0.1 . 1 . . . . . 29 Arg CA . 26843 1 135 . 1 1 29 29 ARG CB C 13 29.92 0.1 . 1 . . . . . 29 Arg CB . 26843 1 136 . 1 1 29 29 ARG N N 15 128.5 0.2 . 1 . . . . . 29 Arg N . 26843 1 137 . 1 1 30 30 ALA H H 1 8.81 0.01 . 1 . . . . . 30 Ala H . 26843 1 138 . 1 1 30 30 ALA HA H 1 4.55 0.01 . 1 . . . . . 30 Ala HA . 26843 1 139 . 1 1 30 30 ALA HB1 H 1 1.33 0.01 . 1 . . . . . 30 Ala HB1 . 26843 1 140 . 1 1 30 30 ALA HB2 H 1 1.33 0.01 . 1 . . . . . 30 Ala HB2 . 26843 1 141 . 1 1 30 30 ALA HB3 H 1 1.33 0.01 . 1 . . . . . 30 Ala HB3 . 26843 1 142 . 1 1 30 30 ALA C C 13 174.6 0.1 . 1 . . . . . 30 Ala C . 26843 1 143 . 1 1 30 30 ALA CA C 13 50.80 0.1 . 1 . . . . . 30 Ala CA . 26843 1 144 . 1 1 30 30 ALA CB C 13 17.84 0.1 . 1 . . . . . 30 Ala CB . 26843 1 145 . 1 1 30 30 ALA N N 15 128.3 0.2 . 1 . . . . . 30 Ala N . 26843 1 146 . 1 1 31 31 PRO CA C 13 62.68 0.1 . 1 . . . . . 31 Pro CA . 26843 1 147 . 1 1 31 31 PRO CB C 13 29.92 0.1 . 1 . . . . . 31 Pro CB . 26843 1 148 . 1 1 32 32 ARG H H 1 8.62 0.01 . 1 . . . . . 32 Arg H . 26843 1 149 . 1 1 32 32 ARG HA H 1 4.31 0.01 . 1 . . . . . 32 Arg HA . 26843 1 150 . 1 1 32 32 ARG C C 13 177.0 0.1 . 1 . . . . . 32 Arg C . 26843 1 151 . 1 1 32 32 ARG CA C 13 55.81 0.1 . 1 . . . . . 32 Arg CA . 26843 1 152 . 1 1 32 32 ARG CB C 13 31.59 0.1 . 1 . . . . . 32 Arg CB . 26843 1 153 . 1 1 32 32 ARG N N 15 123.4 0.2 . 1 . . . . . 32 Arg N . 26843 1 154 . 1 1 33 33 LYS H H 1 8.77 0.01 . 1 . . . . . 33 Lys H . 26843 1 155 . 1 1 33 33 LYS HA H 1 4.22 0.01 . 1 . . . . . 33 Lys HA . 26843 1 156 . 1 1 33 33 LYS C C 13 176.4 0.1 . 1 . . . . . 33 Lys C . 26843 1 157 . 1 1 33 33 LYS CA C 13 56.39 0.1 . 1 . . . . . 33 Lys CA . 26843 1 158 . 1 1 33 33 LYS CB C 13 33.13 0.1 . 1 . . . . . 33 Lys CB . 26843 1 159 . 1 1 33 33 LYS N N 15 126.6 0.2 . 1 . . . . . 33 Lys N . 26843 1 160 . 1 1 34 34 LYS H H 1 8.59 0.01 . 1 . . . . . 34 Lys H . 26843 1 161 . 1 1 34 34 LYS HA H 1 4.34 0.01 . 1 . . . . . 34 Lys HA . 26843 1 162 . 1 1 34 34 LYS C C 13 176.6 0.1 . 1 . . . . . 34 Lys C . 26843 1 163 . 1 1 34 34 LYS CA C 13 56.10 0.1 . 1 . . . . . 34 Lys CA . 26843 1 164 . 1 1 34 34 LYS CB C 13 33.16 0.1 . 1 . . . . . 34 Lys CB . 26843 1 165 . 1 1 34 34 LYS N N 15 123.8 0.2 . 1 . . . . . 34 Lys N . 26843 1 166 . 1 1 35 35 GLY H H 1 8.30 0.01 . 1 . . . . . 35 Gly H . 26843 1 167 . 1 1 35 35 GLY HA2 H 1 3.92 0.01 . 2 . . . . . 35 Gly HA2 . 26843 1 168 . 1 1 35 35 GLY HA3 H 1 3.66 0.01 . 2 . . . . . 35 Gly HA3 . 26843 1 169 . 1 1 35 35 GLY C C 13 172.6 0.1 . 1 . . . . . 35 Gly C . 26843 1 170 . 1 1 35 35 GLY CA C 13 44.21 0.1 . 1 . . . . . 35 Gly CA . 26843 1 171 . 1 1 35 35 GLY N N 15 109.4 0.2 . 1 . . . . . 35 Gly N . 26843 1 172 . 1 1 36 36 CYS H H 1 8.19 0.01 . 1 . . . . . 36 Cys H . 26843 1 173 . 1 1 36 36 CYS HA H 1 4.08 0.01 . 1 . . . . . 36 Cys HA . 26843 1 174 . 1 1 36 36 CYS C C 13 178.8 0.1 . 1 . . . . . 36 Cys C . 26843 1 175 . 1 1 36 36 CYS CA C 13 59.66 0.1 . 1 . . . . . 36 Cys CA . 26843 1 176 . 1 1 36 36 CYS CB C 13 30.21 0.1 . 1 . . . . . 36 Cys CB . 26843 1 177 . 1 1 36 36 CYS N N 15 124.3 0.2 . 1 . . . . . 36 Cys N . 26843 1 178 . 1 1 37 37 TRP H H 1 8.57 0.01 . 1 . . . . . 37 Trp H . 26843 1 179 . 1 1 37 37 TRP HA H 1 4.55 0.01 . 1 . . . . . 37 Trp HA . 26843 1 180 . 1 1 37 37 TRP C C 13 176.4 0.1 . 1 . . . . . 37 Trp C . 26843 1 181 . 1 1 37 37 TRP CA C 13 58.54 0.1 . 1 . . . . . 37 Trp CA . 26843 1 182 . 1 1 37 37 TRP CB C 13 29.98 0.1 . 1 . . . . . 37 Trp CB . 26843 1 183 . 1 1 37 37 TRP N N 15 129.8 0.2 . 1 . . . . . 37 Trp N . 26843 1 184 . 1 1 38 38 LYS H H 1 9.37 0.01 . 1 . . . . . 38 Lys H . 26843 1 185 . 1 1 38 38 LYS HA H 1 4.28 0.01 . 1 . . . . . 38 Lys HA . 26843 1 186 . 1 1 38 38 LYS C C 13 177.1 0.1 . 1 . . . . . 38 Lys C . 26843 1 187 . 1 1 38 38 LYS CA C 13 58.99 0.1 . 1 . . . . . 38 Lys CA . 26843 1 188 . 1 1 38 38 LYS CB C 13 33.45 0.1 . 1 . . . . . 38 Lys CB . 26843 1 189 . 1 1 38 38 LYS N N 15 122.7 0.2 . 1 . . . . . 38 Lys N . 26843 1 190 . 1 1 39 39 CYS H H 1 8.57 0.01 . 1 . . . . . 39 Cys H . 26843 1 191 . 1 1 39 39 CYS HA H 1 4.57 0.01 . 1 . . . . . 39 Cys HA . 26843 1 192 . 1 1 39 39 CYS HB2 H 1 3.27 0.01 . 2 . . . . . 39 Cys HB2 . 26843 1 193 . 1 1 39 39 CYS HB3 H 1 2.89 0.01 . 2 . . . . . 39 Cys HB3 . 26843 1 194 . 1 1 39 39 CYS C C 13 176.7 0.1 . 1 . . . . . 39 Cys C . 26843 1 195 . 1 1 39 39 CYS CA C 13 58.41 0.1 . 1 . . . . . 39 Cys CA . 26843 1 196 . 1 1 39 39 CYS CB C 13 32.42 0.1 . 1 . . . . . 39 Cys CB . 26843 1 197 . 1 1 39 39 CYS N N 15 117.0 0.2 . 1 . . . . . 39 Cys N . 26843 1 198 . 1 1 40 40 GLY H H 1 8.18 0.01 . 1 . . . . . 40 Gly H . 26843 1 199 . 1 1 40 40 GLY HA2 H 1 3.83 0.01 . 1 . . . . . 40 Gly HA2 . 26843 1 200 . 1 1 40 40 GLY C C 13 174.0 0.1 . 1 . . . . . 40 Gly C . 26843 1 201 . 1 1 40 40 GLY CA C 13 45.98 0.1 . 1 . . . . . 40 Gly CA . 26843 1 202 . 1 1 40 40 GLY N N 15 114.0 0.2 . 1 . . . . . 40 Gly N . 26843 1 203 . 1 1 41 41 LYS H H 1 8.46 0.01 . 1 . . . . . 41 Lys H . 26843 1 204 . 1 1 41 41 LYS HA H 1 4.35 0.01 . 1 . . . . . 41 Lys HA . 26843 1 205 . 1 1 41 41 LYS C C 13 176.3 0.1 . 1 . . . . . 41 Lys C . 26843 1 206 . 1 1 41 41 LYS CA C 13 56.48 0.1 . 1 . . . . . 41 Lys CA . 26843 1 207 . 1 1 41 41 LYS CB C 13 33.48 0.1 . 1 . . . . . 41 Lys CB . 26843 1 208 . 1 1 41 41 LYS N N 15 122.3 0.2 . 1 . . . . . 41 Lys N . 26843 1 209 . 1 1 42 42 GLU H H 1 8.57 0.01 . 1 . . . . . 42 Glu H . 26843 1 210 . 1 1 42 42 GLU HA H 1 4.24 0.01 . 1 . . . . . 42 Glu HA . 26843 1 211 . 1 1 42 42 GLU HB2 H 1 1.88 0.01 . 2 . . . . . 42 Glu HB2 . 26843 1 212 . 1 1 42 42 GLU HB3 H 1 2.07 0.01 . 2 . . . . . 42 Glu HB3 . 26843 1 213 . 1 1 42 42 GLU C C 13 178.2 0.1 . 1 . . . . . 42 Glu C . 26843 1 214 . 1 1 42 42 GLU CA C 13 55.87 0.1 . 1 . . . . . 42 Glu CA . 26843 1 215 . 1 1 42 42 GLU CB C 13 30.72 0.1 . 1 . . . . . 42 Glu CB . 26843 1 216 . 1 1 42 42 GLU N N 15 118.8 0.2 . 1 . . . . . 42 Glu N . 26843 1 217 . 1 1 43 43 GLY H H 1 8.70 0.01 . 1 . . . . . 43 Gly H . 26843 1 218 . 1 1 43 43 GLY HA2 H 1 3.71 0.01 . 1 . . . . . 43 Gly HA2 . 26843 1 219 . 1 1 43 43 GLY C C 13 173.6 0.1 . 1 . . . . . 43 Gly C . 26843 1 220 . 1 1 43 43 GLY CA C 13 45.59 0.1 . 1 . . . . . 43 Gly CA . 26843 1 221 . 1 1 43 43 GLY N N 15 107.2 0.2 . 1 . . . . . 43 Gly N . 26843 1 222 . 1 1 44 44 HIS H H 1 7.16 0.01 . 1 . . . . . 44 His H . 26843 1 223 . 1 1 44 44 HIS HA H 1 4.79 0.01 . 1 . . . . . 44 His HA . 26843 1 224 . 1 1 44 44 HIS C C 13 172.3 0.1 . 1 . . . . . 44 His C . 26843 1 225 . 1 1 44 44 HIS CA C 13 55.26 0.1 . 1 . . . . . 44 His CA . 26843 1 226 . 1 1 44 44 HIS CB C 13 30.24 0.1 . 1 . . . . . 44 His CB . 26843 1 227 . 1 1 44 44 HIS N N 15 112.9 0.2 . 1 . . . . . 44 His N . 26843 1 228 . 1 1 45 45 GLN H H 1 8.98 0.01 . 1 . . . . . 45 Gln H . 26843 1 229 . 1 1 45 45 GLN HA H 1 4.59 0.01 . 1 . . . . . 45 Gln HA . 26843 1 230 . 1 1 45 45 GLN C C 13 177.8 0.1 . 1 . . . . . 45 Gln C . 26843 1 231 . 1 1 45 45 GLN CA C 13 53.82 0.1 . 1 . . . . . 45 Gln CA . 26843 1 232 . 1 1 45 45 GLN CB C 13 32.04 0.1 . 1 . . . . . 45 Gln CB . 26843 1 233 . 1 1 45 45 GLN N N 15 116.8 0.2 . 1 . . . . . 45 Gln N . 26843 1 234 . 1 1 46 46 MET H H 1 9.03 0.01 . 1 . . . . . 46 Met H . 26843 1 235 . 1 1 46 46 MET HA H 1 4.63 0.01 . 1 . . . . . 46 Met HA . 26843 1 236 . 1 1 46 46 MET C C 13 178.5 0.1 . 1 . . . . . 46 Met C . 26843 1 237 . 1 1 46 46 MET CA C 13 60.11 0.1 . 1 . . . . . 46 Met CA . 26843 1 238 . 1 1 46 46 MET CB C 13 31.27 0.1 . 1 . . . . . 46 Met CB . 26843 1 239 . 1 1 46 46 MET N N 15 122.2 0.2 . 1 . . . . . 46 Met N . 26843 1 240 . 1 1 47 47 LYS H H 1 8.70 0.01 . 1 . . . . . 47 Lys H . 26843 1 241 . 1 1 47 47 LYS HA H 1 4.16 0.01 . 1 . . . . . 47 Lys HA . 26843 1 242 . 1 1 47 47 LYS C C 13 176.1 0.1 . 1 . . . . . 47 Lys C . 26843 1 243 . 1 1 47 47 LYS CA C 13 58.54 0.1 . 1 . . . . . 47 Lys CA . 26843 1 244 . 1 1 47 47 LYS CB C 13 31.07 0.1 . 1 . . . . . 47 Lys CB . 26843 1 245 . 1 1 47 47 LYS N N 15 118.9 0.2 . 1 . . . . . 47 Lys N . 26843 1 246 . 1 1 48 48 ASP H H 1 7.90 0.01 . 1 . . . . . 48 Asp H . 26843 1 247 . 1 1 48 48 ASP HA H 1 4.89 0.01 . 1 . . . . . 48 Asp HA . 26843 1 248 . 1 1 48 48 ASP HB2 H 1 2.55 0.01 . 1 . . . . . 48 Asp HB2 . 26843 1 249 . 1 1 48 48 ASP C C 13 175.0 0.1 . 1 . . . . . 48 Asp C . 26843 1 250 . 1 1 48 48 ASP CA C 13 53.43 0.1 . 1 . . . . . 48 Asp CA . 26843 1 251 . 1 1 48 48 ASP CB C 13 42.35 0.1 . 1 . . . . . 48 Asp CB . 26843 1 252 . 1 1 48 48 ASP N N 15 117.5 0.2 . 1 . . . . . 48 Asp N . 26843 1 253 . 1 1 49 49 CYS H H 1 7.65 0.01 . 1 . . . . . 49 Cys H . 26843 1 254 . 1 1 49 49 CYS HA H 1 3.70 0.01 . 1 . . . . . 49 Cys HA . 26843 1 255 . 1 1 49 49 CYS HB2 H 1 2.90 0.01 . 1 . . . . . 49 Cys HB2 . 26843 1 256 . 1 1 49 49 CYS HB3 H 1 3.12 0.01 . 1 . . . . . 49 Cys HB3 . 26843 1 257 . 1 1 49 49 CYS C C 13 177.4 0.1 . 1 . . . . . 49 Cys C . 26843 1 258 . 1 1 49 49 CYS CA C 13 62.72 0.1 . 1 . . . . . 49 Cys CA . 26843 1 259 . 1 1 49 49 CYS CB C 13 31.36 0.1 . 1 . . . . . 49 Cys CB . 26843 1 260 . 1 1 49 49 CYS N N 15 123.9 0.2 . 1 . . . . . 49 Cys N . 26843 1 261 . 1 1 50 50 THR H H 1 8.33 0.01 . 1 . . . . . 50 Thr H . 26843 1 262 . 1 1 50 50 THR HA H 1 4.39 0.01 . 1 . . . . . 50 Thr HA . 26843 1 263 . 1 1 50 50 THR HB H 1 4.14 0.01 . 1 . . . . . 50 Thr HB . 26843 1 264 . 1 1 50 50 THR C C 13 175.5 0.1 . 1 . . . . . 50 Thr C . 26843 1 265 . 1 1 50 50 THR CA C 13 61.34 0.1 . 1 . . . . . 50 Thr CA . 26843 1 266 . 1 1 50 50 THR CB C 13 69.14 0.1 . 1 . . . . . 50 Thr CB . 26843 1 267 . 1 1 50 50 THR N N 15 120.1 0.2 . 1 . . . . . 50 Thr N . 26843 1 268 . 1 1 51 51 GLU H H 1 8.72 0.01 . 1 . . . . . 51 Glu H . 26843 1 269 . 1 1 51 51 GLU HA H 1 4.19 0.01 . 1 . . . . . 51 Glu HA . 26843 1 270 . 1 1 51 51 GLU HB2 H 1 1.78 0.01 . 1 . . . . . 51 Glu HB2 . 26843 1 271 . 1 1 51 51 GLU C C 13 176.8 0.1 . 1 . . . . . 51 Glu C . 26843 1 272 . 1 1 51 51 GLU CA C 13 56.71 0.1 . 1 . . . . . 51 Glu CA . 26843 1 273 . 1 1 51 51 GLU CB C 13 29.66 0.1 . 1 . . . . . 51 Glu CB . 26843 1 274 . 1 1 51 51 GLU N N 15 125.9 0.2 . 1 . . . . . 51 Glu N . 26843 1 275 . 1 1 52 52 ARG H H 1 8.53 0.01 . 1 . . . . . 52 Arg H . 26843 1 276 . 1 1 52 52 ARG N N 15 122.8 0.2 . 1 . . . . . 52 Arg N . 26843 1 277 . 1 1 53 53 GLN CA C 13 55.84 0.1 . 1 . . . . . 53 Gln CA . 26843 1 278 . 1 1 54 54 ALA H H 1 8.47 0.01 . 1 . . . . . 54 Ala H . 26843 1 279 . 1 1 54 54 ALA HA H 1 4.23 0.01 . 1 . . . . . 54 Ala HA . 26843 1 280 . 1 1 54 54 ALA CA C 13 52.63 0.1 . 1 . . . . . 54 Ala CA . 26843 1 281 . 1 1 54 54 ALA CB C 13 18.96 0.1 . 1 . . . . . 54 Ala CB . 26843 1 282 . 1 1 54 54 ALA N N 15 125.3 0.2 . 1 . . . . . 54 Ala N . 26843 1 283 . 1 1 55 55 ASN H H 1 8.39 0.01 . 1 . . . . . 55 Asn H . 26843 1 284 . 1 1 55 55 ASN HA H 1 4.65 0.01 . 1 . . . . . 55 Asn HA . 26843 1 285 . 1 1 55 55 ASN HB2 H 1 2.71 0.01 . 1 . . . . . 55 Asn HB2 . 26843 1 286 . 1 1 55 55 ASN C C 13 175.0 0.1 . 1 . . . . . 55 Asn C . 26843 1 287 . 1 1 55 55 ASN CA C 13 52.85 0.1 . 1 . . . . . 55 Asn CA . 26843 1 288 . 1 1 55 55 ASN CB C 13 39.10 0.1 . 1 . . . . . 55 Asn CB . 26843 1 289 . 1 1 55 55 ASN N N 15 117.3 0.2 . 1 . . . . . 55 Asn N . 26843 1 290 . 1 1 56 56 PHE H H 1 8.21 0.01 . 1 . . . . . 56 Phe H . 26843 1 291 . 1 1 56 56 PHE HA H 1 4.55 0.01 . 1 . . . . . 56 Phe HA . 26843 1 292 . 1 1 56 56 PHE HB2 H 1 3.06 0.01 . 1 . . . . . 56 Phe HB2 . 26843 1 293 . 1 1 56 56 PHE C C 13 174.7 0.1 . 1 . . . . . 56 Phe C . 26843 1 294 . 1 1 56 56 PHE CA C 13 57.83 0.1 . 1 . . . . . 56 Phe CA . 26843 1 295 . 1 1 56 56 PHE CB C 13 38.85 0.1 . 1 . . . . . 56 Phe CB . 26843 1 296 . 1 1 56 56 PHE N N 15 120.7 0.2 . 1 . . . . . 56 Phe N . 26843 1 297 . 1 1 57 57 LEU H H 1 8.29 0.01 . 1 . . . . . 57 Leu H . 26843 1 298 . 1 1 57 57 LEU HA H 1 4.24 0.01 . 1 . . . . . 57 Leu HA . 26843 1 299 . 1 1 57 57 LEU HB2 H 1 1.59 0.01 . 1 . . . . . 57 Leu HB2 . 26843 1 300 . 1 1 57 57 LEU C C 13 177.6 0.1 . 1 . . . . . 57 Leu C . 26843 1 301 . 1 1 57 57 LEU CA C 13 55.23 0.1 . 1 . . . . . 57 Leu CA . 26843 1 302 . 1 1 57 57 LEU CB C 13 41.77 0.1 . 1 . . . . . 57 Leu CB . 26843 1 303 . 1 1 57 57 LEU N N 15 123.6 0.2 . 1 . . . . . 57 Leu N . 26843 1 304 . 1 1 58 58 GLY H H 1 7.98 0.01 . 1 . . . . . 58 Gly H . 26843 1 305 . 1 1 58 58 GLY HA2 H 1 3.83 0.01 . 1 . . . . . 58 Gly HA2 . 26843 1 306 . 1 1 58 58 GLY C C 13 173.7 0.1 . 1 . . . . . 58 Gly C . 26843 1 307 . 1 1 58 58 GLY CA C 13 45.11 0.1 . 1 . . . . . 58 Gly CA . 26843 1 308 . 1 1 58 58 GLY N N 15 108.7 0.2 . 1 . . . . . 58 Gly N . 26843 1 309 . 1 1 59 59 LYS H H 1 7.99 0.01 . 1 . . . . . 59 Lys H . 26843 1 310 . 1 1 59 59 LYS HA H 1 4.19 0.01 . 1 . . . . . 59 Lys HA . 26843 1 311 . 1 1 59 59 LYS C C 13 175.9 0.1 . 1 . . . . . 59 Lys C . 26843 1 312 . 1 1 59 59 LYS CA C 13 56.00 0.1 . 1 . . . . . 59 Lys CA . 26843 1 313 . 1 1 59 59 LYS CB C 13 33.03 0.1 . 1 . . . . . 59 Lys CB . 26843 1 314 . 1 1 59 59 LYS N N 15 120.5 0.2 . 1 . . . . . 59 Lys N . 26843 1 315 . 1 1 60 60 ILE H H 1 8.11 0.01 . 1 . . . . . 60 Ile H . 26843 1 316 . 1 1 60 60 ILE HA H 1 4.22 0.01 . 1 . . . . . 60 Ile HA . 26843 1 317 . 1 1 60 60 ILE HB H 1 1.70 0.01 . 1 . . . . . 60 Ile HB . 26843 1 318 . 1 1 60 60 ILE C C 13 175.7 0.1 . 1 . . . . . 60 Ile C . 26843 1 319 . 1 1 60 60 ILE CA C 13 60.37 0.1 . 1 . . . . . 60 Ile CA . 26843 1 320 . 1 1 60 60 ILE CB C 13 38.43 0.1 . 1 . . . . . 60 Ile CB . 26843 1 321 . 1 1 60 60 ILE N N 15 122.2 0.2 . 1 . . . . . 60 Ile N . 26843 1 322 . 1 1 61 61 TRP H H 1 8.56 0.01 . 1 . . . . . 61 Trp H . 26843 1 323 . 1 1 61 61 TRP HA H 1 4.85 0.01 . 1 . . . . . 61 Trp HA . 26843 1 324 . 1 1 61 61 TRP HB2 H 1 3.02 0.01 . 2 . . . . . 61 Trp HB2 . 26843 1 325 . 1 1 61 61 TRP HB3 H 1 3.28 0.01 . 2 . . . . . 61 Trp HB3 . 26843 1 326 . 1 1 61 61 TRP C C 13 174.4 0.1 . 1 . . . . . 61 Trp C . 26843 1 327 . 1 1 61 61 TRP CA C 13 54.59 0.1 . 1 . . . . . 61 Trp CA . 26843 1 328 . 1 1 61 61 TRP CB C 13 28.82 0.1 . 1 . . . . . 61 Trp CB . 26843 1 329 . 1 1 61 61 TRP N N 15 128.0 0.2 . 1 . . . . . 61 Trp N . 26843 1 330 . 1 1 65 65 LYS H H 1 8.62 0.01 . 1 . . . . . 65 Lys H . 26843 1 331 . 1 1 65 65 LYS HA H 1 4.32 0.01 . 1 . . . . . 65 Lys HA . 26843 1 332 . 1 1 65 65 LYS HB2 H 1 1.82 0.01 . 2 . . . . . 65 Lys HB2 . 26843 1 333 . 1 1 65 65 LYS HB3 H 1 1.71 0.01 . 2 . . . . . 65 Lys HB3 . 26843 1 334 . 1 1 65 65 LYS N N 15 123.9 0.2 . 1 . . . . . 65 Lys N . 26843 1 335 . 1 1 66 66 GLY H H 1 8.56 0.01 . 1 . . . . . 66 Gly H . 26843 1 336 . 1 1 66 66 GLY HA2 H 1 3.88 0.01 . 1 . . . . . 66 Gly HA2 . 26843 1 337 . 1 1 66 66 GLY C C 13 173.6 0.1 . 1 . . . . . 66 Gly C . 26843 1 338 . 1 1 66 66 GLY CA C 13 44.79 0.1 . 1 . . . . . 66 Gly CA . 26843 1 339 . 1 1 66 66 GLY N N 15 110.5 0.2 . 1 . . . . . 66 Gly N . 26843 1 340 . 1 1 67 67 ARG H H 1 8.22 0.01 . 1 . . . . . 67 Arg H . 26843 1 341 . 1 1 67 67 ARG HA H 1 4.55 0.01 . 1 . . . . . 67 Arg HA . 26843 1 342 . 1 1 67 67 ARG HB2 H 1 1.75 0.01 . 1 . . . . . 67 Arg HB2 . 26843 1 343 . 1 1 67 67 ARG C C 13 174.6 0.1 . 1 . . . . . 67 Arg C . 26843 1 344 . 1 1 67 67 ARG CA C 13 53.73 0.1 . 1 . . . . . 67 Arg CA . 26843 1 345 . 1 1 67 67 ARG CB C 13 29.95 0.1 . 1 . . . . . 67 Arg CB . 26843 1 346 . 1 1 67 67 ARG N N 15 121.7 0.2 . 1 . . . . . 67 Arg N . 26843 1 347 . 1 1 68 68 PRO C C 13 177.4 0.1 . 1 . . . . . 68 Pro C . 26843 1 348 . 1 1 69 69 GLY H H 1 8.51 0.01 . 1 . . . . . 69 Gly H . 26843 1 349 . 1 1 69 69 GLY HA2 H 1 3.86 0.01 . 1 . . . . . 69 Gly HA2 . 26843 1 350 . 1 1 69 69 GLY C C 13 174.3 0.1 . 1 . . . . . 69 Gly C . 26843 1 351 . 1 1 69 69 GLY N N 15 109.2 0.2 . 1 . . . . . 69 Gly N . 26843 1 352 . 1 1 70 70 ASN H H 1 8.25 0.01 . 1 . . . . . 70 Asn H . 26843 1 353 . 1 1 70 70 ASN HA H 1 4.65 0.01 . 1 . . . . . 70 Asn HA . 26843 1 354 . 1 1 70 70 ASN HB2 H 1 2.69 0.01 . 1 . . . . . 70 Asn HB2 . 26843 1 355 . 1 1 70 70 ASN C C 13 175.0 0.1 . 1 . . . . . 70 Asn C . 26843 1 356 . 1 1 70 70 ASN CA C 13 52.82 0.1 . 1 . . . . . 70 Asn CA . 26843 1 357 . 1 1 70 70 ASN N N 15 118.4 0.2 . 1 . . . . . 70 Asn N . 26843 1 358 . 1 1 71 71 PHE H H 1 8.20 0.01 . 1 . . . . . 71 Phe H . 26843 1 359 . 1 1 71 71 PHE C C 13 175.7 0.1 . 1 . . . . . 71 Phe C . 26843 1 360 . 1 1 71 71 PHE CA C 13 57.83 0.1 . 1 . . . . . 71 Phe CA . 26843 1 361 . 1 1 71 71 PHE CB C 13 39.20 0.1 . 1 . . . . . 71 Phe CB . 26843 1 362 . 1 1 71 71 PHE N N 15 120.6 0.2 . 1 . . . . . 71 Phe N . 26843 1 363 . 1 1 72 72 LEU H H 1 8.24 0.01 . 1 . . . . . 72 Leu H . 26843 1 364 . 1 1 72 72 LEU HA H 1 4.31 0.01 . 1 . . . . . 72 Leu HA . 26843 1 365 . 1 1 72 72 LEU HB2 H 1 1.57 0.01 . 1 . . . . . 72 Leu HB2 . 26843 1 366 . 1 1 72 72 LEU C C 13 175.7 0.1 . 1 . . . . . 72 Leu C . 26843 1 367 . 1 1 72 72 LEU CA C 13 55.07 0.1 . 1 . . . . . 72 Leu CA . 26843 1 368 . 1 1 72 72 LEU CB C 13 40.20 0.1 . 1 . . . . . 72 Leu CB . 26843 1 369 . 1 1 72 72 LEU N N 15 123.3 0.2 . 1 . . . . . 72 Leu N . 26843 1 370 . 1 1 73 73 GLN H H 1 8.32 0.01 . 1 . . . . . 73 Gln H . 26843 1 371 . 1 1 73 73 GLN CA C 13 55.58 0.1 . 1 . . . . . 73 Gln CA . 26843 1 372 . 1 1 73 73 GLN CB C 13 29.18 0.1 . 1 . . . . . 73 Gln CB . 26843 1 373 . 1 1 73 73 GLN N N 15 121.1 0.2 . 1 . . . . . 73 Gln N . 26843 1 374 . 1 1 74 74 SER CA C 13 58.28 0.1 . 1 . . . . . 74 Ser CA . 26843 1 375 . 1 1 74 74 SER CB C 13 63.49 0.1 . 1 . . . . . 74 Ser CB . 26843 1 376 . 1 1 75 75 ARG H H 1 8.36 0.01 . 1 . . . . . 75 Arg H . 26843 1 377 . 1 1 75 75 ARG HA H 1 4.61 0.01 . 1 . . . . . 75 Arg HA . 26843 1 378 . 1 1 75 75 ARG HB2 H 1 1.78 0.01 . 1 . . . . . 75 Arg HB2 . 26843 1 379 . 1 1 75 75 ARG CA C 13 53.66 0.1 . 1 . . . . . 75 Arg CA . 26843 1 380 . 1 1 75 75 ARG CB C 13 30.01 0.1 . 1 . . . . . 75 Arg CB . 26843 1 381 . 1 1 75 75 ARG N N 15 123.6 0.2 . 1 . . . . . 75 Arg N . 26843 1 382 . 1 1 76 76 PRO C C 13 176.6 0.1 . 1 . . . . . 76 Pro C . 26843 1 383 . 1 1 76 76 PRO CA C 13 62.84 0.1 . 1 . . . . . 76 Pro CA . 26843 1 384 . 1 1 76 76 PRO CB C 13 31.75 0.1 . 1 . . . . . 76 Pro CB . 26843 1 385 . 1 1 77 77 GLU H H 1 8.56 0.01 . 1 . . . . . 77 Glu H . 26843 1 386 . 1 1 77 77 GLU HA H 1 4.52 0.01 . 1 . . . . . 77 Glu HA . 26843 1 387 . 1 1 77 77 GLU HB2 H 1 1.87 0.01 . 2 . . . . . 77 Glu HB2 . 26843 1 388 . 1 1 77 77 GLU HB3 H 1 2.06 0.01 . 2 . . . . . 77 Glu HB3 . 26843 1 389 . 1 1 77 77 GLU C C 13 175.0 0.1 . 1 . . . . . 77 Glu C . 26843 1 390 . 1 1 77 77 GLU CA C 13 54.17 0.1 . 1 . . . . . 77 Glu CA . 26843 1 391 . 1 1 77 77 GLU CB C 13 29.37 0.1 . 1 . . . . . 77 Glu CB . 26843 1 392 . 1 1 77 77 GLU N N 15 122.7 0.2 . 1 . . . . . 77 Glu N . 26843 1 393 . 1 1 78 78 PRO C C 13 177.0 0.1 . 1 . . . . . 78 Pro C . 26843 1 394 . 1 1 78 78 PRO CA C 13 63.26 0.1 . 1 . . . . . 78 Pro CA . 26843 1 395 . 1 1 78 78 PRO CB C 13 32.04 0.1 . 1 . . . . . 78 Pro CB . 26843 1 396 . 1 1 79 79 THR H H 1 8.25 0.01 . 1 . . . . . 79 Thr H . 26843 1 397 . 1 1 79 79 THR HA H 1 4.27 0.01 . 1 . . . . . 79 Thr HA . 26843 1 398 . 1 1 79 79 THR C C 13 174.0 0.1 . 1 . . . . . 79 Thr C . 26843 1 399 . 1 1 79 79 THR CA C 13 61.51 0.1 . 1 . . . . . 79 Thr CA . 26843 1 400 . 1 1 79 79 THR CB C 13 69.67 0.1 . 1 . . . . . 79 Thr CB . 26843 1 401 . 1 1 79 79 THR N N 15 114.0 0.2 . 1 . . . . . 79 Thr N . 26843 1 402 . 1 1 80 80 ALA H H 1 8.30 0.01 . 1 . . . . . 80 Ala H . 26843 1 403 . 1 1 80 80 ALA HA H 1 4.54 0.01 . 1 . . . . . 80 Ala HA . 26843 1 404 . 1 1 80 80 ALA HB1 H 1 1.32 0.01 . 1 . . . . . 80 Ala HB1 . 26843 1 405 . 1 1 80 80 ALA HB2 H 1 1.32 0.01 . 1 . . . . . 80 Ala HB2 . 26843 1 406 . 1 1 80 80 ALA HB3 H 1 1.32 0.01 . 1 . . . . . 80 Ala HB3 . 26843 1 407 . 1 1 80 80 ALA C C 13 174.9 0.1 . 1 . . . . . 80 Ala C . 26843 1 408 . 1 1 80 80 ALA CA C 13 50.33 0.1 . 1 . . . . . 80 Ala CA . 26843 1 409 . 1 1 80 80 ALA CB C 13 18.04 0.1 . 1 . . . . . 80 Ala CB . 26843 1 410 . 1 1 80 80 ALA N N 15 127.9 0.2 . 1 . . . . . 80 Ala N . 26843 1 411 . 1 1 82 82 PRO C C 13 177.2 0.1 . 1 . . . . . 82 Pro C . 26843 1 412 . 1 1 82 82 PRO CA C 13 63.03 0.1 . 1 . . . . . 82 Pro CA . 26843 1 413 . 1 1 82 82 PRO CB C 13 31.91 0.1 . 1 . . . . . 82 Pro CB . 26843 1 414 . 1 1 83 83 GLU H H 1 8.73 0.01 . 1 . . . . . 83 Glu H . 26843 1 415 . 1 1 83 83 GLU HA H 1 4.15 0.01 . 1 . . . . . 83 Glu HA . 26843 1 416 . 1 1 83 83 GLU C C 13 176.9 0.1 . 1 . . . . . 83 Glu C . 26843 1 417 . 1 1 83 83 GLU CA C 13 56.92 0.1 . 1 . . . . . 83 Glu CA . 26843 1 418 . 1 1 83 83 GLU CB C 13 29.92 0.1 . 1 . . . . . 83 Glu CB . 26843 1 419 . 1 1 83 83 GLU N N 15 120.9 0.2 . 1 . . . . . 83 Glu N . 26843 1 420 . 1 1 84 84 GLU H H 1 8.51 0.01 . 1 . . . . . 84 Glu H . 26843 1 421 . 1 1 84 84 GLU HA H 1 4.20 0.01 . 1 . . . . . 84 Glu HA . 26843 1 422 . 1 1 84 84 GLU HB2 H 1 1.95 0.01 . 1 . . . . . 84 Glu HB2 . 26843 1 423 . 1 1 84 84 GLU C C 13 176.5 0.1 . 1 . . . . . 84 Glu C . 26843 1 424 . 1 1 84 84 GLU CA C 13 56.60 0.1 . 1 . . . . . 84 Glu CA . 26843 1 425 . 1 1 84 84 GLU CB C 13 29.86 0.1 . 1 . . . . . 84 Glu CB . 26843 1 426 . 1 1 84 84 GLU N N 15 121.6 0.2 . 1 . . . . . 84 Glu N . 26843 1 427 . 1 1 85 85 SER H H 1 8.27 0.01 . 1 . . . . . 85 Ser H . 26843 1 428 . 1 1 85 85 SER HA H 1 4.43 0.01 . 1 . . . . . 85 Ser HA . 26843 1 429 . 1 1 85 85 SER HB2 H 1 3.78 0.01 . 1 . . . . . 85 Ser HB2 . 26843 1 430 . 1 1 85 85 SER HB3 H 1 3.78 0.01 . 1 . . . . . 85 Ser HB3 . 26843 1 431 . 1 1 85 85 SER C C 13 176.3 0.1 . 1 . . . . . 85 Ser C . 26843 1 432 . 1 1 85 85 SER CA C 13 58.48 0.1 . 1 . . . . . 85 Ser CA . 26843 1 433 . 1 1 85 85 SER CB C 13 63.53 0.1 . 1 . . . . . 85 Ser CB . 26843 1 434 . 1 1 85 85 SER N N 15 116.4 0.2 . 1 . . . . . 85 Ser N . 26843 1 435 . 1 1 86 86 PHE H H 1 8.19 0.01 . 1 . . . . . 86 Phe H . 26843 1 436 . 1 1 86 86 PHE HA H 1 4.52 0.01 . 1 . . . . . 86 Phe HA . 26843 1 437 . 1 1 86 86 PHE HB2 H 1 2.98 0.01 . 1 . . . . . 86 Phe HB2 . 26843 1 438 . 1 1 86 86 PHE C C 13 175.5 0.1 . 1 . . . . . 86 Phe C . 26843 1 439 . 1 1 86 86 PHE CA C 13 58.12 0.1 . 1 . . . . . 86 Phe CA . 26843 1 440 . 1 1 86 86 PHE CB C 13 39.22 0.1 . 1 . . . . . 86 Phe CB . 26843 1 441 . 1 1 86 86 PHE N N 15 122.0 0.2 . 1 . . . . . 86 Phe N . 26843 1 442 . 1 1 87 87 ARG H H 1 8.11 0.01 . 1 . . . . . 87 Arg H . 26843 1 443 . 1 1 87 87 ARG HA H 1 4.22 0.01 . 1 . . . . . 87 Arg HA . 26843 1 444 . 1 1 87 87 ARG C C 13 175.6 0.1 . 1 . . . . . 87 Arg C . 26843 1 445 . 1 1 87 87 ARG CA C 13 55.60 0.1 . 1 . . . . . 87 Arg CA . 26843 1 446 . 1 1 87 87 ARG CB C 13 30.65 0.1 . 1 . . . . . 87 Arg CB . 26843 1 447 . 1 1 87 87 ARG N N 15 122.9 0.2 . 1 . . . . . 87 Arg N . 26843 1 448 . 1 1 88 88 PHE H H 1 8.28 0.01 . 1 . . . . . 88 Phe H . 26843 1 449 . 1 1 88 88 PHE HA H 1 4.50 0.01 . 1 . . . . . 88 Phe HA . 26843 1 450 . 1 1 88 88 PHE HB2 H 1 3.13 0.01 . 2 . . . . . 88 Phe HB2 . 26843 1 451 . 1 1 88 88 PHE HB3 H 1 3.00 0.01 . 2 . . . . . 88 Phe HB3 . 26843 1 452 . 1 1 88 88 PHE C C 13 176.4 0.1 . 1 . . . . . 88 Phe C . 26843 1 453 . 1 1 88 88 PHE CA C 13 58.02 0.1 . 1 . . . . . 88 Phe CA . 26843 1 454 . 1 1 88 88 PHE CB C 13 39.34 0.1 . 1 . . . . . 88 Phe CB . 26843 1 455 . 1 1 88 88 PHE N N 15 121.6 0.2 . 1 . . . . . 88 Phe N . 26843 1 456 . 1 1 89 89 GLY H H 1 8.45 0.01 . 1 . . . . . 89 Gly H . 26843 1 457 . 1 1 89 89 GLY HA2 H 1 3.80 0.01 . 2 . . . . . 89 Gly HA2 . 26843 1 458 . 1 1 89 89 GLY HA3 H 1 3.93 0.01 . 2 . . . . . 89 Gly HA3 . 26843 1 459 . 1 1 89 89 GLY C C 13 174.1 0.1 . 1 . . . . . 89 Gly C . 26843 1 460 . 1 1 89 89 GLY CA C 13 45.11 0.1 . 1 . . . . . 89 Gly CA . 26843 1 461 . 1 1 89 89 GLY N N 15 111.2 0.2 . 1 . . . . . 89 Gly N . 26843 1 462 . 1 1 90 90 GLU H H 1 8.26 0.01 . 1 . . . . . 90 Glu H . 26843 1 463 . 1 1 90 90 GLU HA H 1 4.28 0.01 . 1 . . . . . 90 Glu HA . 26843 1 464 . 1 1 90 90 GLU HB2 H 1 2.02 0.01 . 2 . . . . . 90 Glu HB2 . 26843 1 465 . 1 1 90 90 GLU HB3 H 1 1.88 0.01 . 2 . . . . . 90 Glu HB3 . 26843 1 466 . 1 1 90 90 GLU C C 13 176.6 0.1 . 1 . . . . . 90 Glu C . 26843 1 467 . 1 1 90 90 GLU CA C 13 56.22 0.1 . 1 . . . . . 90 Glu CA . 26843 1 468 . 1 1 90 90 GLU CB C 13 30.28 0.1 . 1 . . . . . 90 Glu CB . 26843 1 469 . 1 1 90 90 GLU N N 15 120.4 0.2 . 1 . . . . . 90 Glu N . 26843 1 470 . 1 1 91 91 GLU H H 1 8.72 0.01 . 1 . . . . . 91 Glu H . 26843 1 471 . 1 1 91 91 GLU HB2 H 1 2.04 0.01 . 2 . . . . . 91 Glu HB2 . 26843 1 472 . 1 1 91 91 GLU HB3 H 1 1.96 0.01 . 2 . . . . . 91 Glu HB3 . 26843 1 473 . 1 1 91 91 GLU C C 13 176.8 0.1 . 1 . . . . . 91 Glu C . 26843 1 474 . 1 1 91 91 GLU CA C 13 56.65 0.1 . 1 . . . . . 91 Glu CA . 26843 1 475 . 1 1 91 91 GLU CB C 13 29.98 0.1 . 1 . . . . . 91 Glu CB . 26843 1 476 . 1 1 91 91 GLU N N 15 122.2 0.2 . 1 . . . . . 91 Glu N . 26843 1 477 . 1 1 92 92 THR H H 1 8.35 0.01 . 1 . . . . . 92 Thr H . 26843 1 478 . 1 1 92 92 THR HA H 1 4.42 0.01 . 1 . . . . . 92 Thr HA . 26843 1 479 . 1 1 92 92 THR HB H 1 4.23 0.01 . 1 . . . . . 92 Thr HB . 26843 1 480 . 1 1 92 92 THR C C 13 174.7 0.1 . 1 . . . . . 92 Thr C . 26843 1 481 . 1 1 92 92 THR CA C 13 61.56 0.1 . 1 . . . . . 92 Thr CA . 26843 1 482 . 1 1 92 92 THR CB C 13 69.75 0.1 . 1 . . . . . 92 Thr CB . 26843 1 483 . 1 1 92 92 THR N N 15 115.5 0.2 . 1 . . . . . 92 Thr N . 26843 1 484 . 1 1 93 93 THR H H 1 8.26 0.01 . 1 . . . . . 93 Thr H . 26843 1 485 . 1 1 93 93 THR HA H 1 4.39 0.01 . 1 . . . . . 93 Thr HA . 26843 1 486 . 1 1 93 93 THR HB H 1 3.75 0.01 . 1 . . . . . 93 Thr HB . 26843 1 487 . 1 1 93 93 THR C C 13 174.4 0.1 . 1 . . . . . 93 Thr C . 26843 1 488 . 1 1 93 93 THR CA C 13 61.53 0.1 . 1 . . . . . 93 Thr CA . 26843 1 489 . 1 1 93 93 THR CB C 13 69.51 0.1 . 1 . . . . . 93 Thr CB . 26843 1 490 . 1 1 93 93 THR N N 15 116.6 0.2 . 1 . . . . . 93 Thr N . 26843 1 491 . 1 1 94 94 THR H H 1 8.37 0.01 . 1 . . . . . 94 Thr H . 26843 1 492 . 1 1 94 94 THR HA H 1 4.64 0.01 . 1 . . . . . 94 Thr HA . 26843 1 493 . 1 1 94 94 THR HB H 1 4.18 0.01 . 1 . . . . . 94 Thr HB . 26843 1 494 . 1 1 94 94 THR C C 13 172.9 0.1 . 1 . . . . . 94 Thr C . 26843 1 495 . 1 1 94 94 THR CA C 13 59.72 0.1 . 1 . . . . . 94 Thr CA . 26843 1 496 . 1 1 94 94 THR CB C 13 69.72 0.1 . 1 . . . . . 94 Thr CB . 26843 1 497 . 1 1 94 94 THR N N 15 119.5 0.2 . 1 . . . . . 94 Thr N . 26843 1 498 . 1 1 95 95 PRO C C 13 177.1 0.1 . 1 . . . . . 95 Pro C . 26843 1 499 . 1 1 96 96 SER H H 1 8.53 0.01 . 1 . . . . . 96 Ser H . 26843 1 500 . 1 1 96 96 SER HA H 1 4.41 0.01 . 1 . . . . . 96 Ser HA . 26843 1 501 . 1 1 96 96 SER HB2 H 1 3.88 0.01 . 1 . . . . . 96 Ser HB2 . 26843 1 502 . 1 1 96 96 SER HB3 H 1 3.88 0.01 . 1 . . . . . 96 Ser HB3 . 26843 1 503 . 1 1 96 96 SER C C 13 173.0 0.1 . 1 . . . . . 96 Ser C . 26843 1 504 . 1 1 96 96 SER CA C 13 58.54 0.1 . 1 . . . . . 96 Ser CA . 26843 1 505 . 1 1 96 96 SER CB C 13 62.20 0.1 . 1 . . . . . 96 Ser CB . 26843 1 506 . 1 1 96 96 SER N N 15 116.4 0.2 . 1 . . . . . 96 Ser N . 26843 1 507 . 1 1 97 97 GLN H H 1 8.47 0.01 . 1 . . . . . 97 Gln H . 26843 1 508 . 1 1 97 97 GLN HA H 1 4.32 0.01 . 1 . . . . . 97 Gln HA . 26843 1 509 . 1 1 97 97 GLN C C 13 177.1 0.1 . 1 . . . . . 97 Gln C . 26843 1 510 . 1 1 97 97 GLN CA C 13 55.94 0.1 . 1 . . . . . 97 Gln CA . 26843 1 511 . 1 1 97 97 GLN CB C 13 29.34 0.1 . 1 . . . . . 97 Gln CB . 26843 1 512 . 1 1 97 97 GLN N N 15 122.4 0.2 . 1 . . . . . 97 Gln N . 26843 1 513 . 1 1 98 98 LYS H H 1 8.42 0.01 . 1 . . . . . 98 Lys H . 26843 1 514 . 1 1 98 98 LYS HA H 1 4.26 0.01 . 1 . . . . . 98 Lys HA . 26843 1 515 . 1 1 98 98 LYS C C 13 176.3 0.1 . 1 . . . . . 98 Lys C . 26843 1 516 . 1 1 98 98 LYS CA C 13 56.29 0.1 . 1 . . . . . 98 Lys CA . 26843 1 517 . 1 1 98 98 LYS CB C 13 32.71 0.1 . 1 . . . . . 98 Lys CB . 26843 1 518 . 1 1 98 98 LYS N N 15 123.1 0.2 . 1 . . . . . 98 Lys N . 26843 1 519 . 1 1 99 99 GLN H H 1 8.53 0.01 . 1 . . . . . 99 Gln H . 26843 1 520 . 1 1 99 99 GLN HA H 1 4.33 0.01 . 1 . . . . . 99 Gln HA . 26843 1 521 . 1 1 99 99 GLN C C 13 175.7 0.1 . 1 . . . . . 99 Gln C . 26843 1 522 . 1 1 99 99 GLN CA C 13 55.20 0.1 . 1 . . . . . 99 Gln CA . 26843 1 523 . 1 1 99 99 GLN CB C 13 29.37 0.1 . 1 . . . . . 99 Gln CB . 26843 1 524 . 1 1 99 99 GLN N N 15 122.5 0.2 . 1 . . . . . 99 Gln N . 26843 1 525 . 1 1 100 100 GLU H H 1 8.61 0.01 . 1 . . . . . 100 Glu H . 26843 1 526 . 1 1 100 100 GLU HA H 1 4.55 0.01 . 1 . . . . . 100 Glu HA . 26843 1 527 . 1 1 100 100 GLU C C 13 174.6 0.1 . 1 . . . . . 100 Glu C . 26843 1 528 . 1 1 100 100 GLU CA C 13 54.24 0.1 . 1 . . . . . 100 Glu CA . 26843 1 529 . 1 1 100 100 GLU CB C 13 30.08 0.1 . 1 . . . . . 100 Glu CB . 26843 1 530 . 1 1 100 100 GLU N N 15 124.6 0.2 . 1 . . . . . 100 Glu N . 26843 1 531 . 1 1 101 101 PRO C C 13 177.0 0.1 . 1 . . . . . 101 Pro C . 26843 1 532 . 1 1 101 101 PRO CA C 13 62.97 0.1 . 1 . . . . . 101 Pro CA . 26843 1 533 . 1 1 101 101 PRO CB C 13 31.97 0.1 . 1 . . . . . 101 Pro CB . 26843 1 534 . 1 1 102 102 ILE H H 1 8.32 0.01 . 1 . . . . . 102 Ile H . 26843 1 535 . 1 1 102 102 ILE HA H 1 4.11 0.01 . 1 . . . . . 102 Ile HA . 26843 1 536 . 1 1 102 102 ILE C C 13 176.0 0.1 . 1 . . . . . 102 Ile C . 26843 1 537 . 1 1 102 102 ILE CA C 13 61.07 0.1 . 1 . . . . . 102 Ile CA . 26843 1 538 . 1 1 102 102 ILE CB C 13 38.85 0.1 . 1 . . . . . 102 Ile CB . 26843 1 539 . 1 1 102 102 ILE N N 15 120.9 0.2 . 1 . . . . . 102 Ile N . 26843 1 540 . 1 1 103 103 ASP H H 1 8.44 0.01 . 1 . . . . . 103 Asp H . 26843 1 541 . 1 1 103 103 ASP HA H 1 4.58 0.01 . 1 . . . . . 103 Asp HA . 26843 1 542 . 1 1 103 103 ASP HB2 H 1 2.75 0.01 . 2 . . . . . 103 Asp HB2 . 26843 1 543 . 1 1 103 103 ASP HB3 H 1 2.62 0.01 . 2 . . . . . 103 Asp HB3 . 26843 1 544 . 1 1 103 103 ASP C C 13 176.3 0.1 . 1 . . . . . 103 Asp C . 26843 1 545 . 1 1 103 103 ASP CA C 13 54.16 0.1 . 1 . . . . . 103 Asp CA . 26843 1 546 . 1 1 103 103 ASP CB C 13 40.87 0.1 . 1 . . . . . 103 Asp CB . 26843 1 547 . 1 1 103 103 ASP N N 15 124.3 0.2 . 1 . . . . . 103 Asp N . 26843 1 548 . 1 1 104 104 LYS H H 1 8.32 0.01 . 1 . . . . . 104 Lys H . 26843 1 549 . 1 1 104 104 LYS HA H 1 4.21 0.01 . 1 . . . . . 104 Lys HA . 26843 1 550 . 1 1 104 104 LYS C C 13 176.8 0.1 . 1 . . . . . 104 Lys C . 26843 1 551 . 1 1 104 104 LYS CA C 13 56.77 0.1 . 1 . . . . . 104 Lys CA . 26843 1 552 . 1 1 104 104 LYS CB C 13 32.62 0.1 . 1 . . . . . 104 Lys CB . 26843 1 553 . 1 1 104 104 LYS N N 15 122.4 0.2 . 1 . . . . . 104 Lys N . 26843 1 554 . 1 1 105 105 GLU H H 1 8.44 0.01 . 1 . . . . . 105 Glu H . 26843 1 555 . 1 1 105 105 GLU HA H 1 4.17 0.01 . 1 . . . . . 105 Glu HA . 26843 1 556 . 1 1 105 105 GLU HB2 H 1 1.94 0.01 . 1 . . . . . 105 Glu HB2 . 26843 1 557 . 1 1 105 105 GLU C C 13 176.4 0.1 . 1 . . . . . 105 Glu C . 26843 1 558 . 1 1 105 105 GLU CA C 13 56.65 0.1 . 1 . . . . . 105 Glu CA . 26843 1 559 . 1 1 105 105 GLU CB C 13 29.61 0.1 . 1 . . . . . 105 Glu CB . 26843 1 560 . 1 1 105 105 GLU N N 15 120.8 0.2 . 1 . . . . . 105 Glu N . 26843 1 561 . 1 1 106 106 LEU H H 1 8.03 0.01 . 1 . . . . . 106 Leu H . 26843 1 562 . 1 1 106 106 LEU HA H 1 4.17 0.01 . 1 . . . . . 106 Leu HA . 26843 1 563 . 1 1 106 106 LEU HB2 H 1 1.45 0.01 . 1 . . . . . 106 Leu HB2 . 26843 1 564 . 1 1 106 106 LEU C C 13 176.8 0.1 . 1 . . . . . 106 Leu C . 26843 1 565 . 1 1 106 106 LEU CA C 13 55.08 0.1 . 1 . . . . . 106 Leu CA . 26843 1 566 . 1 1 106 106 LEU CB C 13 42.31 0.1 . 1 . . . . . 106 Leu CB . 26843 1 567 . 1 1 106 106 LEU N N 15 122.1 0.2 . 1 . . . . . 106 Leu N . 26843 1 568 . 1 1 107 107 TYR H H 1 8.12 0.01 . 1 . . . . . 107 Tyr H . 26843 1 569 . 1 1 107 107 TYR HA H 1 4.84 0.01 . 1 . . . . . 107 Tyr HA . 26843 1 570 . 1 1 107 107 TYR HB2 H 1 3.04 0.01 . 2 . . . . . 107 Tyr HB2 . 26843 1 571 . 1 1 107 107 TYR HB3 H 1 2.83 0.01 . 2 . . . . . 107 Tyr HB3 . 26843 1 572 . 1 1 107 107 TYR C C 13 173.8 0.1 . 1 . . . . . 107 Tyr C . 26843 1 573 . 1 1 107 107 TYR CA C 13 55.24 0.1 . 1 . . . . . 107 Tyr CA . 26843 1 574 . 1 1 107 107 TYR CB C 13 37.86 0.1 . 1 . . . . . 107 Tyr CB . 26843 1 575 . 1 1 107 107 TYR N N 15 120.0 0.2 . 1 . . . . . 107 Tyr N . 26843 1 576 . 1 1 108 108 PRO C C 13 177.3 0.1 . 1 . . . . . 108 Pro C . 26843 1 577 . 1 1 108 108 PRO CA C 13 63.22 0.1 . 1 . . . . . 108 Pro CA . 26843 1 578 . 1 1 108 108 PRO CB C 13 31.85 0.1 . 1 . . . . . 108 Pro CB . 26843 1 579 . 1 1 109 109 LEU H H 1 8.39 0.01 . 1 . . . . . 109 Leu H . 26843 1 580 . 1 1 109 109 LEU HA H 1 4.27 0.01 . 1 . . . . . 109 Leu HA . 26843 1 581 . 1 1 109 109 LEU C C 13 177.9 0.1 . 1 . . . . . 109 Leu C . 26843 1 582 . 1 1 109 109 LEU CA C 13 55.42 0.1 . 1 . . . . . 109 Leu CA . 26843 1 583 . 1 1 109 109 LEU CB C 13 41.89 0.1 . 1 . . . . . 109 Leu CB . 26843 1 584 . 1 1 109 109 LEU N N 15 122.1 0.2 . 1 . . . . . 109 Leu N . 26843 1 585 . 1 1 110 110 ALA H H 1 8.38 0.01 . 1 . . . . . 110 Ala H . 26843 1 586 . 1 1 110 110 ALA HA H 1 4.26 0.01 . 1 . . . . . 110 Ala HA . 26843 1 587 . 1 1 110 110 ALA HB1 H 1 1.41 0.01 . 1 . . . . . 110 Ala HB1 . 26843 1 588 . 1 1 110 110 ALA HB2 H 1 1.41 0.01 . 1 . . . . . 110 Ala HB2 . 26843 1 589 . 1 1 110 110 ALA HB3 H 1 1.41 0.01 . 1 . . . . . 110 Ala HB3 . 26843 1 590 . 1 1 110 110 ALA C C 13 178.3 0.1 . 1 . . . . . 110 Ala C . 26843 1 591 . 1 1 110 110 ALA CA C 13 53.09 0.1 . 1 . . . . . 110 Ala CA . 26843 1 592 . 1 1 110 110 ALA CB C 13 18.80 0.1 . 1 . . . . . 110 Ala CB . 26843 1 593 . 1 1 110 110 ALA N N 15 124.0 0.2 . 1 . . . . . 110 Ala N . 26843 1 594 . 1 1 111 111 SER H H 1 8.20 0.01 . 1 . . . . . 111 Ser H . 26843 1 595 . 1 1 111 111 SER HA H 1 4.43 0.01 . 1 . . . . . 111 Ser HA . 26843 1 596 . 1 1 111 111 SER HB2 H 1 3.83 0.01 . 1 . . . . . 111 Ser HB2 . 26843 1 597 . 1 1 111 111 SER HB3 H 1 3.83 0.01 . 1 . . . . . 111 Ser HB3 . 26843 1 598 . 1 1 111 111 SER C C 13 174.9 0.1 . 1 . . . . . 111 Ser C . 26843 1 599 . 1 1 111 111 SER CA C 13 58.49 0.1 . 1 . . . . . 111 Ser CA . 26843 1 600 . 1 1 111 111 SER CB C 13 63.37 0.1 . 1 . . . . . 111 Ser CB . 26843 1 601 . 1 1 111 111 SER N N 15 114.1 0.2 . 1 . . . . . 111 Ser N . 26843 1 602 . 1 1 112 112 LEU H H 1 8.16 0.01 . 1 . . . . . 112 Leu H . 26843 1 603 . 1 1 112 112 LEU HA H 1 4.32 0.01 . 1 . . . . . 112 Leu HA . 26843 1 604 . 1 1 112 112 LEU HB2 H 1 1.68 0.01 . 1 . . . . . 112 Leu HB2 . 26843 1 605 . 1 1 112 112 LEU C C 13 176.8 0.1 . 1 . . . . . 112 Leu C . 26843 1 606 . 1 1 112 112 LEU CA C 13 55.54 0.1 . 1 . . . . . 112 Leu CA . 26843 1 607 . 1 1 112 112 LEU CB C 13 41.92 0.1 . 1 . . . . . 112 Leu CB . 26843 1 608 . 1 1 112 112 LEU N N 15 123.7 0.2 . 1 . . . . . 112 Leu N . 26843 1 609 . 1 1 113 113 ARG H H 1 8.24 0.01 . 1 . . . . . 113 Arg H . 26843 1 610 . 1 1 113 113 ARG HA H 1 4.29 0.01 . 1 . . . . . 113 Arg HA . 26843 1 611 . 1 1 113 113 ARG C C 13 175.1 0.1 . 1 . . . . . 113 Arg C . 26843 1 612 . 1 1 113 113 ARG CA C 13 56.32 0.1 . 1 . . . . . 113 Arg CA . 26843 1 613 . 1 1 113 113 ARG CB C 13 30.13 0.1 . 1 . . . . . 113 Arg CB . 26843 1 614 . 1 1 113 113 ARG N N 15 120.8 0.2 . 1 . . . . . 113 Arg N . 26843 1 615 . 1 1 114 114 SER H H 1 8.29 0.01 . 1 . . . . . 114 Ser H . 26843 1 616 . 1 1 114 114 SER HA H 1 4.38 0.01 . 1 . . . . . 114 Ser HA . 26843 1 617 . 1 1 114 114 SER HB2 H 1 3.78 0.01 . 1 . . . . . 114 Ser HB2 . 26843 1 618 . 1 1 114 114 SER HB3 H 1 3.78 0.01 . 1 . . . . . 114 Ser HB3 . 26843 1 619 . 1 1 114 114 SER C C 13 174.6 0.1 . 1 . . . . . 114 Ser C . 26843 1 620 . 1 1 114 114 SER CA C 13 58.16 0.1 . 1 . . . . . 114 Ser CA . 26843 1 621 . 1 1 114 114 SER CB C 13 63.51 0.1 . 1 . . . . . 114 Ser CB . 26843 1 622 . 1 1 114 114 SER N N 15 116.8 0.2 . 1 . . . . . 114 Ser N . 26843 1 623 . 1 1 115 115 LEU H H 1 8.23 0.01 . 1 . . . . . 115 Leu H . 26843 1 624 . 1 1 115 115 LEU HA H 1 4.24 0.01 . 1 . . . . . 115 Leu HA . 26843 1 625 . 1 1 115 115 LEU HB2 H 1 1.49 0.01 . 1 . . . . . 115 Leu HB2 . 26843 1 626 . 1 1 115 115 LEU C C 13 177.4 0.1 . 1 . . . . . 115 Leu C . 26843 1 627 . 1 1 115 115 LEU CA C 13 55.36 0.1 . 1 . . . . . 115 Leu CA . 26843 1 628 . 1 1 115 115 LEU CB C 13 41.98 0.1 . 1 . . . . . 115 Leu CB . 26843 1 629 . 1 1 115 115 LEU N N 15 123.8 0.2 . 1 . . . . . 115 Leu N . 26843 1 630 . 1 1 116 116 PHE H H 1 8.22 0.01 . 1 . . . . . 116 Phe H . 26843 1 631 . 1 1 116 116 PHE HA H 1 4.63 0.01 . 1 . . . . . 116 Phe HA . 26843 1 632 . 1 1 116 116 PHE HB2 H 1 3.21 0.01 . 2 . . . . . 116 Phe HB2 . 26843 1 633 . 1 1 116 116 PHE HB3 H 1 2.97 0.01 . 2 . . . . . 116 Phe HB3 . 26843 1 634 . 1 1 116 116 PHE C C 13 176.4 0.1 . 1 . . . . . 116 Phe C . 26843 1 635 . 1 1 116 116 PHE CA C 13 57.69 0.1 . 1 . . . . . 116 Phe CA . 26843 1 636 . 1 1 116 116 PHE CB C 13 39.40 0.1 . 1 . . . . . 116 Phe CB . 26843 1 637 . 1 1 116 116 PHE N N 15 119.5 0.2 . 1 . . . . . 116 Phe N . 26843 1 638 . 1 1 117 117 GLY H H 1 8.29 0.01 . 1 . . . . . 117 Gly H . 26843 1 639 . 1 1 117 117 GLY HA2 H 1 3.92 0.01 . 1 . . . . . 117 Gly HA2 . 26843 1 640 . 1 1 117 117 GLY C C 13 173.9 0.1 . 1 . . . . . 117 Gly C . 26843 1 641 . 1 1 117 117 GLY CA C 13 45.12 0.1 . 1 . . . . . 117 Gly CA . 26843 1 642 . 1 1 117 117 GLY N N 15 110.5 0.2 . 1 . . . . . 117 Gly N . 26843 1 643 . 1 1 118 118 SER H H 1 8.20 0.01 . 1 . . . . . 118 Ser H . 26843 1 644 . 1 1 118 118 SER HA H 1 4.47 0.01 . 1 . . . . . 118 Ser HA . 26843 1 645 . 1 1 118 118 SER HB2 H 1 3.85 0.01 . 1 . . . . . 118 Ser HB2 . 26843 1 646 . 1 1 118 118 SER HB3 H 1 3.85 0.01 . 1 . . . . . 118 Ser HB3 . 26843 1 647 . 1 1 118 118 SER C C 13 173.9 0.1 . 1 . . . . . 118 Ser C . 26843 1 648 . 1 1 118 118 SER CA C 13 57.94 0.1 . 1 . . . . . 118 Ser CA . 26843 1 649 . 1 1 118 118 SER CB C 13 63.86 0.1 . 1 . . . . . 118 Ser CB . 26843 1 650 . 1 1 118 118 SER N N 15 115.3 0.2 . 1 . . . . . 118 Ser N . 26843 1 651 . 1 1 119 119 ASP H H 1 8.52 0.01 . 1 . . . . . 119 Asp H . 26843 1 652 . 1 1 119 119 ASP HA H 1 4.90 0.01 . 1 . . . . . 119 Asp HA . 26843 1 653 . 1 1 119 119 ASP HB2 H 1 2.80 0.01 . 2 . . . . . 119 Asp HB2 . 26843 1 654 . 1 1 119 119 ASP HB3 H 1 2.57 0.01 . 2 . . . . . 119 Asp HB3 . 26843 1 655 . 1 1 119 119 ASP CA C 13 52.04 0.1 . 1 . . . . . 119 Asp CA . 26843 1 656 . 1 1 119 119 ASP CB C 13 40.93 0.1 . 1 . . . . . 119 Asp CB . 26843 1 657 . 1 1 119 119 ASP N N 15 123.4 0.2 . 1 . . . . . 119 Asp N . 26843 1 658 . 1 1 120 120 PRO C C 13 177.3 0.1 . 1 . . . . . 120 Pro C . 26843 1 659 . 1 1 120 120 PRO CA C 13 63.71 0.1 . 1 . . . . . 120 Pro CA . 26843 1 660 . 1 1 120 120 PRO CB C 13 31.97 0.1 . 1 . . . . . 120 Pro CB . 26843 1 661 . 1 1 121 121 SER H H 1 8.53 0.01 . 1 . . . . . 121 Ser H . 26843 1 662 . 1 1 121 121 SER HA H 1 4.42 0.01 . 1 . . . . . 121 Ser HA . 26843 1 663 . 1 1 121 121 SER HB2 H 1 3.90 0.01 . 1 . . . . . 121 Ser HB2 . 26843 1 664 . 1 1 121 121 SER HB3 H 1 3.90 0.01 . 1 . . . . . 121 Ser HB3 . 26843 1 665 . 1 1 121 121 SER CA C 13 58.83 0.1 . 1 . . . . . 121 Ser CA . 26843 1 666 . 1 1 121 121 SER CB C 13 63.58 0.1 . 1 . . . . . 121 Ser CB . 26843 1 667 . 1 1 121 121 SER N N 15 115.3 0.2 . 1 . . . . . 121 Ser N . 26843 1 668 . 1 1 122 122 SER H H 1 8.17 0.01 . 1 . . . . . 122 Ser H . 26843 1 669 . 1 1 122 122 SER HA H 1 4.47 0.01 . 1 . . . . . 122 Ser HA . 26843 1 670 . 1 1 122 122 SER HB2 H 1 3.89 0.01 . 1 . . . . . 122 Ser HB2 . 26843 1 671 . 1 1 122 122 SER HB3 H 1 3.89 0.01 . 1 . . . . . 122 Ser HB3 . 26843 1 672 . 1 1 122 122 SER C C 13 173.5 0.1 . 1 . . . . . 122 Ser C . 26843 1 673 . 1 1 122 122 SER CA C 13 58.18 0.1 . 1 . . . . . 122 Ser CA . 26843 1 674 . 1 1 122 122 SER CB C 13 63.89 0.1 . 1 . . . . . 122 Ser CB . 26843 1 675 . 1 1 122 122 SER N N 15 118.0 0.2 . 1 . . . . . 122 Ser N . 26843 1 676 . 1 1 123 123 GLN H H 1 7.97 0.01 . 1 . . . . . 123 Gln H . 26843 1 677 . 1 1 123 123 GLN HA H 1 4.17 0.01 . 1 . . . . . 123 Gln HA . 26843 1 678 . 1 1 123 123 GLN HB2 H 1 2.13 0.01 . 2 . . . . . 123 Gln HB2 . 26843 1 679 . 1 1 123 123 GLN HB3 H 1 1.90 0.01 . 2 . . . . . 123 Gln HB3 . 26843 1 680 . 1 1 123 123 GLN C C 13 172.1 0.1 . 1 . . . . . 123 Gln C . 26843 1 681 . 1 1 123 123 GLN CA C 13 57.20 0.1 . 1 . . . . . 123 Gln CA . 26843 1 682 . 1 1 123 123 GLN CB C 13 30.13 0.1 . 1 . . . . . 123 Gln CB . 26843 1 683 . 1 1 123 123 GLN N N 15 126.9 0.2 . 1 . . . . . 123 Gln N . 26843 1 stop_ save_