data_52014 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52014 _Entry.Title ; Solid-state NMR assignment of side-chain protons of HBV core protein at fast MAS and high field ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-06 _Entry.Accession_date 2023-07-06 _Entry.Last_release_date 2023-07-06 _Entry.Original_release_date 2023-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _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 ; Solid-state NMR assignment of side-chain protons of Hepatits B virus core protein Cp149 in the capsid form at 160 kHz MAS and 1.2 GHz proton magnetic field ; _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 Morgane Callon . . . 0000-0002-0618-2293 52014 2 Dominique Luder . . . . 52014 3 Alexander Malar . A. . . 52014 4 Thomas Wiegand . . . . 52014 5 Vaclav Rimal . . . . 52014 6 Lauriane Lecoq . . . . 52014 7 Anja Bockmann . . . . 52014 8 Ago Samoson . . . . 52014 9 Beat Meier . H. . . 52014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 52014 '15N chemical shifts' 108 52014 '1H chemical shifts' 414 52014 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 . . 2023-10-18 2023-07-06 update author 'update entry citation' 52014 1 . . 2023-09-19 2023-07-06 original author 'original release' 52014 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52014 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37829013 _Citation.DOI 10.1039/D3SC03539E _Citation.Full_citation . _Citation.Title ; High and fast: NMR protein\u2013proton side-chain assignments at 160 kHz and 1.2 GHz ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Sci.' _Citation.Journal_name_full 'Chemical science' _Citation.Journal_volume 14 _Citation.Journal_issue 39 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-6520 _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 10824 _Citation.Page_last 10834 _Citation.Year 2023 _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 Morgane Callon . . . . 52014 1 2 Dominique Luder . . . . 52014 1 3 Alexander Malar . A. . . 52014 1 4 Thomas Wiegand . . . . 52014 1 5 Vaclav Rimal . . . . 52014 1 6 Lauriane Lecoq . . . . 52014 1 7 Anja Bockmann . . . . 52014 1 8 Ago Samoson . . . . 52014 1 9 Beat Meier . H. . . 52014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52014 _Assembly.ID 1 _Assembly.Name 'Hepatitis B Virus capsid' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 4266480 _Assembly.Enzyme_commission_number . _Assembly.Details ; The HBV core protein assignments deposited here correspond to residues 1-149 of the full length (183 residues) core protein. The core protein assembles into a Capsid with a icosahedral symmetry of T=4 and consists of 240 copies Cp149 for a total size of 4.2 MDa. ; _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 Cp149 1 $entity_1 . . yes native no no . '240 copies of Cp149 form the capsid' . 52014 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1qgt . . X-ray 3.3 . 'Cp149 capsid' 52014 1 yes PDB 2g33 . . X-ray 3.96 . 'Cp149 capsid containing C48A C61A C107 mutations' 52014 1 yes PDB 2g34 . . X-ray 5.05 . 'Cp149 capsid containing C48A C61A C107 mutations in complex with HAP1' 52014 1 yes PDB 3j2v . . cryo-EM 3.5 . 'Cp149 capsid' 52014 1 yes PDB 4g93 . . X-ray 4.2 . 'Cp149 capsid containing C48A C61A C107 mutations in complex with AT-130' 52014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MDIDPYKEFGATVELLSFLP SDFFPSVRDLLDTASALYRE ALESPEHCSPHHTALRQAIL CWGELMTLATWVGVNLEDPA SRDLVVSYVNTNMGLKFRQL LWFHISCLTFGRETVIEYLV SFGVWIRTPPAYRPPNAPIL STLPETTVV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-149 of the full-length protein Cp183 containing 183 residues.' _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all reduced' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'CTD-truncated core protein' _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17777 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 27845 . 'Cp149 backbone at 100 kHz MAS ssNMR' . . . . . . . . . . . . . . 52014 1 2 yes BMRB 27317 . 'Cp149 carbon-detection ssNMR' . . . . . . . . . . . . . . 52014 1 3 yes BMRB 51294 . 'Cp149 dimer in solution' . . . . . . . . . . . . . . 52014 1 4 yes BMRB 15969 . 'Cp149 dimer in solution' . . . . . . . . . . . . . . 52014 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Capsid assembly' 52014 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52014 1 2 . ASP . 52014 1 3 . ILE . 52014 1 4 . ASP . 52014 1 5 . PRO . 52014 1 6 . TYR . 52014 1 7 . LYS . 52014 1 8 . GLU . 52014 1 9 . PHE . 52014 1 10 . GLY . 52014 1 11 . ALA . 52014 1 12 . THR . 52014 1 13 . VAL . 52014 1 14 . GLU . 52014 1 15 . LEU . 52014 1 16 . LEU . 52014 1 17 . SER . 52014 1 18 . PHE . 52014 1 19 . LEU . 52014 1 20 . PRO . 52014 1 21 . SER . 52014 1 22 . ASP . 52014 1 23 . PHE . 52014 1 24 . PHE . 52014 1 25 . PRO . 52014 1 26 . SER . 52014 1 27 . VAL . 52014 1 28 . ARG . 52014 1 29 . ASP . 52014 1 30 . LEU . 52014 1 31 . LEU . 52014 1 32 . ASP . 52014 1 33 . THR . 52014 1 34 . ALA . 52014 1 35 . SER . 52014 1 36 . ALA . 52014 1 37 . LEU . 52014 1 38 . TYR . 52014 1 39 . ARG . 52014 1 40 . GLU . 52014 1 41 . ALA . 52014 1 42 . LEU . 52014 1 43 . GLU . 52014 1 44 . SER . 52014 1 45 . PRO . 52014 1 46 . GLU . 52014 1 47 . HIS . 52014 1 48 . CYS . 52014 1 49 . SER . 52014 1 50 . PRO . 52014 1 51 . HIS . 52014 1 52 . HIS . 52014 1 53 . THR . 52014 1 54 . ALA . 52014 1 55 . LEU . 52014 1 56 . ARG . 52014 1 57 . GLN . 52014 1 58 . ALA . 52014 1 59 . ILE . 52014 1 60 . LEU . 52014 1 61 . CYS . 52014 1 62 . TRP . 52014 1 63 . GLY . 52014 1 64 . GLU . 52014 1 65 . LEU . 52014 1 66 . MET . 52014 1 67 . THR . 52014 1 68 . LEU . 52014 1 69 . ALA . 52014 1 70 . THR . 52014 1 71 . TRP . 52014 1 72 . VAL . 52014 1 73 . GLY . 52014 1 74 . VAL . 52014 1 75 . ASN . 52014 1 76 . LEU . 52014 1 77 . GLU . 52014 1 78 . ASP . 52014 1 79 . PRO . 52014 1 80 . ALA . 52014 1 81 . SER . 52014 1 82 . ARG . 52014 1 83 . ASP . 52014 1 84 . LEU . 52014 1 85 . VAL . 52014 1 86 . VAL . 52014 1 87 . SER . 52014 1 88 . TYR . 52014 1 89 . VAL . 52014 1 90 . ASN . 52014 1 91 . THR . 52014 1 92 . ASN . 52014 1 93 . MET . 52014 1 94 . GLY . 52014 1 95 . LEU . 52014 1 96 . LYS . 52014 1 97 . PHE . 52014 1 98 . ARG . 52014 1 99 . GLN . 52014 1 100 . LEU . 52014 1 101 . LEU . 52014 1 102 . TRP . 52014 1 103 . PHE . 52014 1 104 . HIS . 52014 1 105 . ILE . 52014 1 106 . SER . 52014 1 107 . CYS . 52014 1 108 . LEU . 52014 1 109 . THR . 52014 1 110 . PHE . 52014 1 111 . GLY . 52014 1 112 . ARG . 52014 1 113 . GLU . 52014 1 114 . THR . 52014 1 115 . VAL . 52014 1 116 . ILE . 52014 1 117 . GLU . 52014 1 118 . TYR . 52014 1 119 . LEU . 52014 1 120 . VAL . 52014 1 121 . SER . 52014 1 122 . PHE . 52014 1 123 . GLY . 52014 1 124 . VAL . 52014 1 125 . TRP . 52014 1 126 . ILE . 52014 1 127 . ARG . 52014 1 128 . THR . 52014 1 129 . PRO . 52014 1 130 . PRO . 52014 1 131 . ALA . 52014 1 132 . TYR . 52014 1 133 . ARG . 52014 1 134 . PRO . 52014 1 135 . PRO . 52014 1 136 . ASN . 52014 1 137 . ALA . 52014 1 138 . PRO . 52014 1 139 . ILE . 52014 1 140 . LEU . 52014 1 141 . SER . 52014 1 142 . THR . 52014 1 143 . LEU . 52014 1 144 . PRO . 52014 1 145 . GLU . 52014 1 146 . THR . 52014 1 147 . THR . 52014 1 148 . VAL . 52014 1 149 . VAL . 52014 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52014 1 . ASP 2 2 52014 1 . ILE 3 3 52014 1 . ASP 4 4 52014 1 . PRO 5 5 52014 1 . TYR 6 6 52014 1 . LYS 7 7 52014 1 . GLU 8 8 52014 1 . PHE 9 9 52014 1 . GLY 10 10 52014 1 . ALA 11 11 52014 1 . THR 12 12 52014 1 . VAL 13 13 52014 1 . GLU 14 14 52014 1 . LEU 15 15 52014 1 . LEU 16 16 52014 1 . SER 17 17 52014 1 . PHE 18 18 52014 1 . LEU 19 19 52014 1 . PRO 20 20 52014 1 . SER 21 21 52014 1 . ASP 22 22 52014 1 . PHE 23 23 52014 1 . PHE 24 24 52014 1 . PRO 25 25 52014 1 . SER 26 26 52014 1 . VAL 27 27 52014 1 . ARG 28 28 52014 1 . ASP 29 29 52014 1 . LEU 30 30 52014 1 . LEU 31 31 52014 1 . ASP 32 32 52014 1 . THR 33 33 52014 1 . ALA 34 34 52014 1 . SER 35 35 52014 1 . ALA 36 36 52014 1 . LEU 37 37 52014 1 . TYR 38 38 52014 1 . ARG 39 39 52014 1 . GLU 40 40 52014 1 . ALA 41 41 52014 1 . LEU 42 42 52014 1 . GLU 43 43 52014 1 . SER 44 44 52014 1 . PRO 45 45 52014 1 . GLU 46 46 52014 1 . HIS 47 47 52014 1 . CYS 48 48 52014 1 . SER 49 49 52014 1 . PRO 50 50 52014 1 . HIS 51 51 52014 1 . HIS 52 52 52014 1 . THR 53 53 52014 1 . ALA 54 54 52014 1 . LEU 55 55 52014 1 . ARG 56 56 52014 1 . GLN 57 57 52014 1 . ALA 58 58 52014 1 . ILE 59 59 52014 1 . LEU 60 60 52014 1 . CYS 61 61 52014 1 . TRP 62 62 52014 1 . GLY 63 63 52014 1 . GLU 64 64 52014 1 . LEU 65 65 52014 1 . MET 66 66 52014 1 . THR 67 67 52014 1 . LEU 68 68 52014 1 . ALA 69 69 52014 1 . THR 70 70 52014 1 . TRP 71 71 52014 1 . VAL 72 72 52014 1 . GLY 73 73 52014 1 . VAL 74 74 52014 1 . ASN 75 75 52014 1 . LEU 76 76 52014 1 . GLU 77 77 52014 1 . ASP 78 78 52014 1 . PRO 79 79 52014 1 . ALA 80 80 52014 1 . SER 81 81 52014 1 . ARG 82 82 52014 1 . ASP 83 83 52014 1 . LEU 84 84 52014 1 . VAL 85 85 52014 1 . VAL 86 86 52014 1 . SER 87 87 52014 1 . TYR 88 88 52014 1 . VAL 89 89 52014 1 . ASN 90 90 52014 1 . THR 91 91 52014 1 . ASN 92 92 52014 1 . MET 93 93 52014 1 . GLY 94 94 52014 1 . LEU 95 95 52014 1 . LYS 96 96 52014 1 . PHE 97 97 52014 1 . ARG 98 98 52014 1 . GLN 99 99 52014 1 . LEU 100 100 52014 1 . LEU 101 101 52014 1 . TRP 102 102 52014 1 . PHE 103 103 52014 1 . HIS 104 104 52014 1 . ILE 105 105 52014 1 . SER 106 106 52014 1 . CYS 107 107 52014 1 . LEU 108 108 52014 1 . THR 109 109 52014 1 . PHE 110 110 52014 1 . GLY 111 111 52014 1 . ARG 112 112 52014 1 . GLU 113 113 52014 1 . THR 114 114 52014 1 . VAL 115 115 52014 1 . ILE 116 116 52014 1 . GLU 117 117 52014 1 . TYR 118 118 52014 1 . LEU 119 119 52014 1 . VAL 120 120 52014 1 . SER 121 121 52014 1 . PHE 122 122 52014 1 . GLY 123 123 52014 1 . VAL 124 124 52014 1 . TRP 125 125 52014 1 . ILE 126 126 52014 1 . ARG 127 127 52014 1 . THR 128 128 52014 1 . PRO 129 129 52014 1 . PRO 130 130 52014 1 . ALA 131 131 52014 1 . TYR 132 132 52014 1 . ARG 133 133 52014 1 . PRO 134 134 52014 1 . PRO 135 135 52014 1 . ASN 136 136 52014 1 . ALA 137 137 52014 1 . PRO 138 138 52014 1 . ILE 139 139 52014 1 . LEU 140 140 52014 1 . SER 141 141 52014 1 . THR 142 142 52014 1 . LEU 143 143 52014 1 . PRO 144 144 52014 1 . GLU 145 145 52014 1 . THR 146 146 52014 1 . THR 147 147 52014 1 . VAL 148 148 52014 1 . VAL 149 149 52014 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52014 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'genotype D subtype ayw' 52014 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52014 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21*CP . . plasmid . . pET-28a2 . . . 52014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52014 _Sample.ID 1 _Sample.Name Cp149_capsid _Sample.Type solid _Sample.Sub_type . _Sample.Details 'protein sediment' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system H2O _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 'Hepatitis B virus capsid core protein Cp149' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mg/mL . . . . 52014 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 52014 _Sample_condition_list.ID 1 _Sample_condition_list.Name Conditions1 _Sample_condition_list.Details '50 mM TRIS pH 7.5, 5 mM DTT' 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' 50 . mM 52014 1 pH 7.5 . pH 52014 1 pressure 1 . atm 52014 1 temperature 295 5 K 52014 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52014 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52014 1 processing . 52014 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52014 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52014 2 'data analysis' . 52014 2 'peak picking' . 52014 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52014 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 1.2GHz_ETH _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1200 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52014 _Experiment_list.ID 1 _Experiment_list.Details 'The solid-state NMR spectra were recorded at fast MAS frequency of 160 kHz in a 0.5 mm outer diameter NMR rotor.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C CP' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '160 kHz MAS' 52014 1 2 '3D hCCH-TOCSY C9' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '160 kHz MAS' 52014 1 3 '3D HcCH-TOCSY WALTZ' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '160 kHz MAS' 52014 1 4 '3D hNCH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '160 kHz MAS' 52014 1 5 '3D hCCH-TOCSY WALTZ' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . '160 kHz MAS' 52014 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52014 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference1 _Chem_shift_reference.Details 'referenced with DSS' 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 na indirect 0.251449530 . . . . . 52014 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52014 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1H_Sidechains_Cp149 _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 $chem_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 . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C CP' . . . 52014 1 2 '3D hCCH-TOCSY C9' . . . 52014 1 3 '3D HcCH-TOCSY WALTZ' . . . 52014 1 4 '3D hNCH' . . . 52014 1 5 '3D hCCH-TOCSY WALTZ' . . . 52014 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52014 1 2 $software_2 . . 52014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 MET HA H 1 3.837 0.000 . 1 . . . . . 1 MET HA . 52014 1 2 . 1 . 1 1 1 MET HB2 H 1 2.021 0.000 . 2 . . . . . 1 MET HB2 . 52014 1 3 . 1 . 1 1 1 MET HB3 H 1 2.024 0.000 . 2 . . . . . 1 MET HB3 . 52014 1 4 . 1 . 1 1 1 MET HG2 H 1 2.579 0.000 . 2 . . . . . 1 MET HG2 . 52014 1 5 . 1 . 1 1 1 MET HG3 H 1 2.433 0.000 . 2 . . . . . 1 MET HG3 . 52014 1 6 . 1 . 1 1 1 MET CA C 13 55.833 0.000 . 1 . . . . . 1 MET CA . 52014 1 7 . 1 . 1 1 1 MET CB C 13 35.676 0.002 . 1 . . . . . 1 MET CB . 52014 1 8 . 1 . 1 1 1 MET CG C 13 31.902 0.044 . 1 . . . . . 1 MET CG . 52014 1 9 . 1 . 1 1 1 MET N N 15 117.493 0.000 . 1 . . . . . 1 MET N . 52014 1 10 . 1 . 1 2 2 ASP HA H 1 4.889 0.000 . 1 . . . . . 2 ASP HA . 52014 1 11 . 1 . 1 2 2 ASP HB2 H 1 2.621 0.000 . 2 . . . . . 2 ASP HB2 . 52014 1 12 . 1 . 1 2 2 ASP HB3 H 1 2.415 0.000 . 2 . . . . . 2 ASP HB3 . 52014 1 13 . 1 . 1 2 2 ASP CA C 13 53.343 0.000 . 1 . . . . . 2 ASP CA . 52014 1 14 . 1 . 1 2 2 ASP CB C 13 41.360 0.033 . 1 . . . . . 2 ASP CB . 52014 1 15 . 1 . 1 2 2 ASP N N 15 127.529 0.000 . 1 . . . . . 2 ASP N . 52014 1 16 . 1 . 1 3 3 ILE HA H 1 4.369 0.000 . 1 . . . . . 3 ILE HA . 52014 1 17 . 1 . 1 3 3 ILE HB H 1 1.680 0.000 . 1 . . . . . 3 ILE HB . 52014 1 18 . 1 . 1 3 3 ILE HG21 H 1 0.709 0.000 . 1 . . . . . 3 ILE HG21 . 52014 1 19 . 1 . 1 3 3 ILE HG22 H 1 0.709 0.000 . 1 . . . . . 3 ILE HG22 . 52014 1 20 . 1 . 1 3 3 ILE HG23 H 1 0.709 0.000 . 1 . . . . . 3 ILE HG23 . 52014 1 21 . 1 . 1 3 3 ILE HD11 H 1 0.926 0.020 . 1 . . . . . 3 ILE HD11 . 52014 1 22 . 1 . 1 3 3 ILE HD12 H 1 0.926 0.020 . 1 . . . . . 3 ILE HD12 . 52014 1 23 . 1 . 1 3 3 ILE HD13 H 1 0.926 0.020 . 1 . . . . . 3 ILE HD13 . 52014 1 24 . 1 . 1 3 3 ILE CA C 13 59.356 0.000 . 1 . . . . . 3 ILE CA . 52014 1 25 . 1 . 1 3 3 ILE CB C 13 39.753 0.071 . 1 . . . . . 3 ILE CB . 52014 1 26 . 1 . 1 3 3 ILE CG1 C 13 27.468 0.000 . 1 . . . . . 3 ILE CG1 . 52014 1 27 . 1 . 1 3 3 ILE CG2 C 13 17.095 0.000 . 1 . . . . . 3 ILE CG2 . 52014 1 28 . 1 . 1 3 3 ILE CD1 C 13 13.838 0.037 . 1 . . . . . 3 ILE CD1 . 52014 1 29 . 1 . 1 4 4 ASP HA H 1 5.157 0.000 . 1 . . . . . 4 ASP HA . 52014 1 30 . 1 . 1 4 4 ASP HB2 H 1 2.563 0.000 . 2 . . . . . 4 ASP HB2 . 52014 1 31 . 1 . 1 4 4 ASP HB3 H 1 2.962 0.000 . 2 . . . . . 4 ASP HB3 . 52014 1 32 . 1 . 1 4 4 ASP CA C 13 50.096 0.000 . 1 . . . . . 4 ASP CA . 52014 1 33 . 1 . 1 4 4 ASP CB C 13 43.075 0.014 . 1 . . . . . 4 ASP CB . 52014 1 34 . 1 . 1 4 4 ASP N N 15 130.371 0.000 . 1 . . . . . 4 ASP N . 52014 1 35 . 1 . 1 5 5 PRO HA H 1 4.033 0.000 . 1 . . . . . 5 PRO HA . 52014 1 36 . 1 . 1 5 5 PRO HB2 H 1 1.600 0.000 . 1 . . . . . 5 PRO HB2 . 52014 1 37 . 1 . 1 5 5 PRO HD2 H 1 3.705 0.012 . 2 . . . . . 5 PRO HD2 . 52014 1 38 . 1 . 1 5 5 PRO HD3 H 1 3.463 0.000 . 2 . . . . . 5 PRO HD3 . 52014 1 39 . 1 . 1 5 5 PRO CA C 13 63.623 0.000 . 1 . . . . . 5 PRO CA . 52014 1 40 . 1 . 1 5 5 PRO CB C 13 30.928 0.000 . 1 . . . . . 5 PRO CB . 52014 1 41 . 1 . 1 5 5 PRO CG C 13 24.594 0.000 . 1 . . . . . 5 PRO CG . 52014 1 42 . 1 . 1 5 5 PRO CD C 13 50.104 0.018 . 1 . . . . . 5 PRO CD . 52014 1 43 . 1 . 1 6 6 TYR HA H 1 4.363 0.000 . 1 . . . . . 6 TYR HA . 52014 1 44 . 1 . 1 6 6 TYR HB2 H 1 3.238 0.000 . 1 . . . . . 6 TYR HB2 . 52014 1 45 . 1 . 1 6 6 TYR CA C 13 57.732 0.000 . 1 . . . . . 6 TYR CA . 52014 1 46 . 1 . 1 6 6 TYR CB C 13 37.600 0.000 . 1 . . . . . 6 TYR CB . 52014 1 47 . 1 . 1 7 7 LYS HA H 1 4.679 0.000 . 1 . . . . . 7 LYS HA . 52014 1 48 . 1 . 1 7 7 LYS HB2 H 1 1.866 0.000 . 2 . . . . . 7 LYS HB2 . 52014 1 49 . 1 . 1 7 7 LYS HB3 H 1 1.890 0.000 . 2 . . . . . 7 LYS HB3 . 52014 1 50 . 1 . 1 7 7 LYS HD2 H 1 1.807 0.000 . 1 . . . . . 7 LYS HD2 . 52014 1 51 . 1 . 1 7 7 LYS CA C 13 60.260 0.000 . 1 . . . . . 7 LYS CA . 52014 1 52 . 1 . 1 7 7 LYS CB C 13 33.125 0.000 . 1 . . . . . 7 LYS CB . 52014 1 53 . 1 . 1 7 7 LYS CG C 13 26.592 0.000 . 1 . . . . . 7 LYS CG . 52014 1 54 . 1 . 1 7 7 LYS CD C 13 29.483 0.000 . 1 . . . . . 7 LYS CD . 52014 1 55 . 1 . 1 7 7 LYS N N 15 125.639 0.000 . 1 . . . . . 7 LYS N . 52014 1 56 . 1 . 1 8 8 GLU HA H 1 4.183 0.000 . 1 . . . . . 8 GLU HA . 52014 1 57 . 1 . 1 8 8 GLU HB2 H 1 1.297 0.000 . 1 . . . . . 8 GLU HB2 . 52014 1 58 . 1 . 1 8 8 GLU HG2 H 1 1.810 0.000 . 1 . . . . . 8 GLU HG2 . 52014 1 59 . 1 . 1 8 8 GLU CA C 13 57.584 0.000 . 1 . . . . . 8 GLU CA . 52014 1 60 . 1 . 1 8 8 GLU CB C 13 27.816 0.000 . 1 . . . . . 8 GLU CB . 52014 1 61 . 1 . 1 8 8 GLU CG C 13 37.653 0.000 . 1 . . . . . 8 GLU CG . 52014 1 62 . 1 . 1 8 8 GLU N N 15 117.293 0.000 . 1 . . . . . 8 GLU N . 52014 1 63 . 1 . 1 9 9 PHE HA H 1 4.672 0.000 . 1 . . . . . 9 PHE HA . 52014 1 64 . 1 . 1 9 9 PHE HB2 H 1 3.861 0.000 . 2 . . . . . 9 PHE HB2 . 52014 1 65 . 1 . 1 9 9 PHE HB3 H 1 3.181 0.000 . 2 . . . . . 9 PHE HB3 . 52014 1 66 . 1 . 1 9 9 PHE CA C 13 57.927 0.000 . 1 . . . . . 9 PHE CA . 52014 1 67 . 1 . 1 9 9 PHE CB C 13 40.830 0.027 . 1 . . . . . 9 PHE CB . 52014 1 68 . 1 . 1 9 9 PHE N N 15 116.201 0.000 . 1 . . . . . 9 PHE N . 52014 1 69 . 1 . 1 10 10 GLY HA2 H 1 4.125 0.000 . 2 . . . . . 10 GLY HA2 . 52014 1 70 . 1 . 1 10 10 GLY HA3 H 1 3.896 0.000 . 2 . . . . . 10 GLY HA3 . 52014 1 71 . 1 . 1 10 10 GLY CA C 13 45.966 0.019 . 1 . . . . . 10 GLY CA . 52014 1 72 . 1 . 1 10 10 GLY N N 15 105.232 0.000 . 1 . . . . . 10 GLY N . 52014 1 73 . 1 . 1 11 11 ALA HA H 1 4.810 0.000 . 1 . . . . . 11 ALA HA . 52014 1 74 . 1 . 1 11 11 ALA HB1 H 1 1.080 0.000 . 1 . . . . . 11 ALA HB1 . 52014 1 75 . 1 . 1 11 11 ALA HB2 H 1 1.080 0.000 . 1 . . . . . 11 ALA HB2 . 52014 1 76 . 1 . 1 11 11 ALA HB3 H 1 1.080 0.000 . 1 . . . . . 11 ALA HB3 . 52014 1 77 . 1 . 1 11 11 ALA CA C 13 48.994 0.000 . 1 . . . . . 11 ALA CA . 52014 1 78 . 1 . 1 11 11 ALA CB C 13 21.868 0.000 . 1 . . . . . 11 ALA CB . 52014 1 79 . 1 . 1 11 11 ALA N N 15 120.451 0.000 . 1 . . . . . 11 ALA N . 52014 1 80 . 1 . 1 12 12 THR HA H 1 5.103 0.000 . 1 . . . . . 12 THR HA . 52014 1 81 . 1 . 1 12 12 THR HB H 1 4.600 0.000 . 1 . . . . . 12 THR HB . 52014 1 82 . 1 . 1 12 12 THR HG21 H 1 1.137 0.000 . 1 . . . . . 12 THR HG21 . 52014 1 83 . 1 . 1 12 12 THR HG22 H 1 1.137 0.000 . 1 . . . . . 12 THR HG22 . 52014 1 84 . 1 . 1 12 12 THR HG23 H 1 1.137 0.000 . 1 . . . . . 12 THR HG23 . 52014 1 85 . 1 . 1 12 12 THR CA C 13 59.137 0.000 . 1 . . . . . 12 THR CA . 52014 1 86 . 1 . 1 12 12 THR CB C 13 75.258 0.000 . 1 . . . . . 12 THR CB . 52014 1 87 . 1 . 1 12 12 THR CG2 C 13 22.958 0.000 . 1 . . . . . 12 THR CG2 . 52014 1 88 . 1 . 1 12 12 THR N N 15 103.908 0.000 . 1 . . . . . 12 THR N . 52014 1 89 . 1 . 1 13 13 VAL HA H 1 3.624 0.000 . 1 . . . . . 13 VAL HA . 52014 1 90 . 1 . 1 13 13 VAL CA C 13 66.466 0.000 . 1 . . . . . 13 VAL CA . 52014 1 91 . 1 . 1 13 13 VAL CG1 C 13 21.764 0.000 . 1 . . . . . 13 VAL CG1 . 52014 1 92 . 1 . 1 13 13 VAL N N 15 123.630 0.000 . 1 . . . . . 13 VAL N . 52014 1 93 . 1 . 1 14 14 GLU HA H 1 3.911 0.000 . 1 . . . . . 14 GLU HA . 52014 1 94 . 1 . 1 14 14 GLU HB2 H 1 1.990 0.000 . 1 . . . . . 14 GLU HB2 . 52014 1 95 . 1 . 1 14 14 GLU HB3 H 1 1.990 0.000 . 1 . . . . . 14 GLU HB3 . 52014 1 96 . 1 . 1 14 14 GLU CA C 13 60.123 0.000 . 1 . . . . . 14 GLU CA . 52014 1 97 . 1 . 1 14 14 GLU CB C 13 28.836 0.000 . 1 . . . . . 14 GLU CB . 52014 1 98 . 1 . 1 14 14 GLU N N 15 120.442 0.000 . 1 . . . . . 14 GLU N . 52014 1 99 . 1 . 1 15 15 LEU HA H 1 3.331 0.000 . 1 . . . . . 15 LEU HA . 52014 1 100 . 1 . 1 15 15 LEU HD11 H 1 0.355 0.000 . 1 . . . . . 15 LEU HD11 . 52014 1 101 . 1 . 1 15 15 LEU HD12 H 1 0.355 0.000 . 1 . . . . . 15 LEU HD12 . 52014 1 102 . 1 . 1 15 15 LEU HD13 H 1 0.355 0.000 . 1 . . . . . 15 LEU HD13 . 52014 1 103 . 1 . 1 15 15 LEU CA C 13 57.052 0.000 . 1 . . . . . 15 LEU CA . 52014 1 104 . 1 . 1 15 15 LEU CB C 13 42.752 0.000 . 1 . . . . . 15 LEU CB . 52014 1 105 . 1 . 1 15 15 LEU CG C 13 26.174 0.000 . 1 . . . . . 15 LEU CG . 52014 1 106 . 1 . 1 15 15 LEU CD1 C 13 23.077 0.000 . 1 . . . . . 15 LEU CD1 . 52014 1 107 . 1 . 1 15 15 LEU N N 15 121.660 0.000 . 1 . . . . . 15 LEU N . 52014 1 108 . 1 . 1 16 16 LEU HA H 1 3.837 0.000 . 1 . . . . . 16 LEU HA . 52014 1 109 . 1 . 1 16 16 LEU HB2 H 1 1.326 0.000 . 1 . . . . . 16 LEU HB2 . 52014 1 110 . 1 . 1 16 16 LEU CA C 13 55.833 0.000 . 1 . . . . . 16 LEU CA . 52014 1 111 . 1 . 1 16 16 LEU CB C 13 40.274 0.000 . 1 . . . . . 16 LEU CB . 52014 1 112 . 1 . 1 16 16 LEU CG C 13 28.615 0.000 . 1 . . . . . 16 LEU CG . 52014 1 113 . 1 . 1 16 16 LEU N N 15 119.823 0.000 . 1 . . . . . 16 LEU N . 52014 1 114 . 1 . 1 18 18 PHE HA H 1 4.443 0.000 . 1 . . . . . 18 PHE HA . 52014 1 115 . 1 . 1 18 18 PHE CA C 13 57.491 0.000 . 1 . . . . . 18 PHE CA . 52014 1 116 . 1 . 1 18 18 PHE N N 15 121.151 0.000 . 1 . . . . . 18 PHE N . 52014 1 117 . 1 . 1 19 19 LEU HA H 1 3.922 0.000 . 1 . . . . . 19 LEU HA . 52014 1 118 . 1 . 1 19 19 LEU HB2 H 1 1.491 0.000 . 1 . . . . . 19 LEU HB2 . 52014 1 119 . 1 . 1 19 19 LEU HD11 H 1 0.676 0.000 . 1 . . . . . 19 LEU HD11 . 52014 1 120 . 1 . 1 19 19 LEU HD12 H 1 0.676 0.000 . 1 . . . . . 19 LEU HD12 . 52014 1 121 . 1 . 1 19 19 LEU HD13 H 1 0.676 0.000 . 1 . . . . . 19 LEU HD13 . 52014 1 122 . 1 . 1 19 19 LEU CA C 13 51.447 0.000 . 1 . . . . . 19 LEU CA . 52014 1 123 . 1 . 1 19 19 LEU CB C 13 40.259 0.000 . 1 . . . . . 19 LEU CB . 52014 1 124 . 1 . 1 19 19 LEU CD1 C 13 25.498 0.000 . 1 . . . . . 19 LEU CD1 . 52014 1 125 . 1 . 1 19 19 LEU N N 15 117.510 0.000 . 1 . . . . . 19 LEU N . 52014 1 126 . 1 . 1 20 20 PRO HA H 1 4.467 0.000 . 1 . . . . . 20 PRO HA . 52014 1 127 . 1 . 1 20 20 PRO HB2 H 1 1.975 0.000 . 1 . . . . . 20 PRO HB2 . 52014 1 128 . 1 . 1 20 20 PRO CA C 13 61.818 0.000 . 1 . . . . . 20 PRO CA . 52014 1 129 . 1 . 1 20 20 PRO CB C 13 32.816 0.000 . 1 . . . . . 20 PRO CB . 52014 1 130 . 1 . 1 21 21 SER HA H 1 4.225 0.000 . 1 . . . . . 21 SER HA . 52014 1 131 . 1 . 1 21 21 SER CA C 13 61.720 0.000 . 1 . . . . . 21 SER CA . 52014 1 132 . 1 . 1 21 21 SER CB C 13 63.082 0.000 . 1 . . . . . 21 SER CB . 52014 1 133 . 1 . 1 21 21 SER N N 15 116.360 0.000 . 1 . . . . . 21 SER N . 52014 1 134 . 1 . 1 22 22 ASP HA H 1 4.594 0.000 . 1 . . . . . 22 ASP HA . 52014 1 135 . 1 . 1 22 22 ASP HB2 H 1 3.014 0.000 . 2 . . . . . 22 ASP HB2 . 52014 1 136 . 1 . 1 22 22 ASP HB3 H 1 2.659 0.000 . 2 . . . . . 22 ASP HB3 . 52014 1 137 . 1 . 1 22 22 ASP CA C 13 53.070 0.000 . 1 . . . . . 22 ASP CA . 52014 1 138 . 1 . 1 22 22 ASP CB C 13 39.518 0.002 . 1 . . . . . 22 ASP CB . 52014 1 139 . 1 . 1 22 22 ASP N N 15 115.062 0.000 . 1 . . . . . 22 ASP N . 52014 1 140 . 1 . 1 23 23 PHE HA H 1 4.369 0.000 . 1 . . . . . 23 PHE HA . 52014 1 141 . 1 . 1 23 23 PHE CA C 13 59.356 0.000 . 1 . . . . . 23 PHE CA . 52014 1 142 . 1 . 1 23 23 PHE N N 15 119.547 0.000 . 1 . . . . . 23 PHE N . 52014 1 143 . 1 . 1 24 24 PHE HA H 1 5.297 0.000 . 1 . . . . . 24 PHE HA . 52014 1 144 . 1 . 1 24 24 PHE HB2 H 1 2.491 0.000 . 1 . . . . . 24 PHE HB2 . 52014 1 145 . 1 . 1 24 24 PHE CA C 13 57.375 0.000 . 1 . . . . . 24 PHE CA . 52014 1 146 . 1 . 1 24 24 PHE CB C 13 37.589 0.000 . 1 . . . . . 24 PHE CB . 52014 1 147 . 1 . 1 24 24 PHE N N 15 113.108 0.000 . 1 . . . . . 24 PHE N . 52014 1 148 . 1 . 1 25 25 PRO HA H 1 3.986 0.000 . 1 . . . . . 25 PRO HA . 52014 1 149 . 1 . 1 25 25 PRO HB2 H 1 2.600 0.000 . 2 . . . . . 25 PRO HB2 . 52014 1 150 . 1 . 1 25 25 PRO HB3 H 1 2.812 0.000 . 2 . . . . . 25 PRO HB3 . 52014 1 151 . 1 . 1 25 25 PRO HG2 H 1 2.178 0.000 . 1 . . . . . 25 PRO HG2 . 52014 1 152 . 1 . 1 25 25 PRO HD2 H 1 3.906 0.000 . 1 . . . . . 25 PRO HD2 . 52014 1 153 . 1 . 1 25 25 PRO CA C 13 61.514 0.000 . 1 . . . . . 25 PRO CA . 52014 1 154 . 1 . 1 25 25 PRO CB C 13 32.033 0.002 . 1 . . . . . 25 PRO CB . 52014 1 155 . 1 . 1 25 25 PRO CG C 13 27.563 0.000 . 1 . . . . . 25 PRO CG . 52014 1 156 . 1 . 1 25 25 PRO CD C 13 50.694 0.000 . 1 . . . . . 25 PRO CD . 52014 1 157 . 1 . 1 25 25 PRO N N 15 133.883 0.000 . 1 . . . . . 25 PRO N . 52014 1 158 . 1 . 1 26 26 SER HA H 1 4.128 0.000 . 1 . . . . . 26 SER HA . 52014 1 159 . 1 . 1 26 26 SER HB2 H 1 4.312 0.000 . 2 . . . . . 26 SER HB2 . 52014 1 160 . 1 . 1 26 26 SER HB3 H 1 4.022 0.000 . 2 . . . . . 26 SER HB3 . 52014 1 161 . 1 . 1 26 26 SER CA C 13 57.554 0.000 . 1 . . . . . 26 SER CA . 52014 1 162 . 1 . 1 26 26 SER CB C 13 64.655 0.000 . 1 . . . . . 26 SER CB . 52014 1 163 . 1 . 1 26 26 SER N N 15 116.096 0.000 . 1 . . . . . 26 SER N . 52014 1 164 . 1 . 1 27 27 VAL HA H 1 3.157 0.000 . 1 . . . . . 27 VAL HA . 52014 1 165 . 1 . 1 27 27 VAL HB H 1 1.971 0.000 . 1 . . . . . 27 VAL HB . 52014 1 166 . 1 . 1 27 27 VAL CA C 13 68.033 0.000 . 1 . . . . . 27 VAL CA . 52014 1 167 . 1 . 1 27 27 VAL CB C 13 31.445 0.000 . 1 . . . . . 27 VAL CB . 52014 1 168 . 1 . 1 27 27 VAL CG1 C 13 23.581 0.000 . 1 . . . . . 27 VAL CG1 . 52014 1 169 . 1 . 1 28 28 ARG HA H 1 3.884 0.000 . 1 . . . . . 28 ARG HA . 52014 1 170 . 1 . 1 28 28 ARG HB2 H 1 1.719 0.000 . 2 . . . . . 28 ARG HB2 . 52014 1 171 . 1 . 1 28 28 ARG HB3 H 1 1.735 0.000 . 2 . . . . . 28 ARG HB3 . 52014 1 172 . 1 . 1 28 28 ARG HG2 H 1 1.659 0.000 . 1 . . . . . 28 ARG HG2 . 52014 1 173 . 1 . 1 28 28 ARG HG3 H 1 1.659 0.000 . 1 . . . . . 28 ARG HG3 . 52014 1 174 . 1 . 1 28 28 ARG CA C 13 59.262 0.000 . 1 . . . . . 28 ARG CA . 52014 1 175 . 1 . 1 28 28 ARG CB C 13 30.314 0.000 . 1 . . . . . 28 ARG CB . 52014 1 176 . 1 . 1 28 28 ARG CG C 13 26.445 0.000 . 1 . . . . . 28 ARG CG . 52014 1 177 . 1 . 1 28 28 ARG N N 15 117.328 0.000 . 1 . . . . . 28 ARG N . 52014 1 178 . 1 . 1 31 31 LEU HA H 1 3.942 0.000 . 1 . . . . . 31 LEU HA . 52014 1 179 . 1 . 1 31 31 LEU HB2 H 1 2.001 0.000 . 2 . . . . . 31 LEU HB2 . 52014 1 180 . 1 . 1 31 31 LEU HB3 H 1 1.405 0.000 . 2 . . . . . 31 LEU HB3 . 52014 1 181 . 1 . 1 31 31 LEU HG H 1 0.993 0.000 . 1 . . . . . 31 LEU HG . 52014 1 182 . 1 . 1 31 31 LEU CA C 13 58.426 0.000 . 1 . . . . . 31 LEU CA . 52014 1 183 . 1 . 1 31 31 LEU CB C 13 40.951 0.032 . 1 . . . . . 31 LEU CB . 52014 1 184 . 1 . 1 31 31 LEU CG C 13 26.320 0.000 . 1 . . . . . 31 LEU CG . 52014 1 185 . 1 . 1 31 31 LEU N N 15 121.898 0.000 . 1 . . . . . 31 LEU N . 52014 1 186 . 1 . 1 32 32 ASP HA H 1 4.430 0.000 . 1 . . . . . 32 ASP HA . 52014 1 187 . 1 . 1 32 32 ASP CA C 13 57.461 0.000 . 1 . . . . . 32 ASP CA . 52014 1 188 . 1 . 1 32 32 ASP N N 15 121.151 0.000 . 1 . . . . . 32 ASP N . 52014 1 189 . 1 . 1 33 33 THR HG21 H 1 0.954 0.000 . 1 . . . . . 33 THR HG21 . 52014 1 190 . 1 . 1 33 33 THR HG22 H 1 0.954 0.000 . 1 . . . . . 33 THR HG22 . 52014 1 191 . 1 . 1 33 33 THR HG23 H 1 0.954 0.000 . 1 . . . . . 33 THR HG23 . 52014 1 192 . 1 . 1 33 33 THR CB C 13 68.015 0.000 . 1 . . . . . 33 THR CB . 52014 1 193 . 1 . 1 33 33 THR CG2 C 13 21.680 0.000 . 1 . . . . . 33 THR CG2 . 52014 1 194 . 1 . 1 34 34 ALA HA H 1 3.959 0.000 . 1 . . . . . 34 ALA HA . 52014 1 195 . 1 . 1 34 34 ALA HB1 H 1 1.368 0.000 . 1 . . . . . 34 ALA HB1 . 52014 1 196 . 1 . 1 34 34 ALA HB2 H 1 1.368 0.000 . 1 . . . . . 34 ALA HB2 . 52014 1 197 . 1 . 1 34 34 ALA HB3 H 1 1.368 0.000 . 1 . . . . . 34 ALA HB3 . 52014 1 198 . 1 . 1 34 34 ALA CA C 13 55.567 0.000 . 1 . . . . . 34 ALA CA . 52014 1 199 . 1 . 1 34 34 ALA CB C 13 16.755 0.000 . 1 . . . . . 34 ALA CB . 52014 1 200 . 1 . 1 34 34 ALA N N 15 122.743 0.000 . 1 . . . . . 34 ALA N . 52014 1 201 . 1 . 1 35 35 SER HA H 1 4.173 0.000 . 1 . . . . . 35 SER HA . 52014 1 202 . 1 . 1 35 35 SER CA C 13 61.098 0.000 . 1 . . . . . 35 SER CA . 52014 1 203 . 1 . 1 35 35 SER CB C 13 63.131 0.000 . 1 . . . . . 35 SER CB . 52014 1 204 . 1 . 1 35 35 SER N N 15 110.830 0.000 . 1 . . . . . 35 SER N . 52014 1 205 . 1 . 1 36 36 ALA HA H 1 3.837 0.000 . 1 . . . . . 36 ALA HA . 52014 1 206 . 1 . 1 36 36 ALA CA C 13 54.551 0.000 . 1 . . . . . 36 ALA CA . 52014 1 207 . 1 . 1 36 36 ALA CB C 13 19.516 0.000 . 1 . . . . . 36 ALA CB . 52014 1 208 . 1 . 1 36 36 ALA N N 15 120.906 0.000 . 1 . . . . . 36 ALA N . 52014 1 209 . 1 . 1 37 37 LEU HA H 1 4.135 0.000 . 1 . . . . . 37 LEU HA . 52014 1 210 . 1 . 1 37 37 LEU HG H 1 1.568 0.000 . 1 . . . . . 37 LEU HG . 52014 1 211 . 1 . 1 37 37 LEU CA C 13 56.036 0.000 . 1 . . . . . 37 LEU CA . 52014 1 212 . 1 . 1 37 37 LEU CB C 13 43.243 0.000 . 1 . . . . . 37 LEU CB . 52014 1 213 . 1 . 1 37 37 LEU CG C 13 27.135 0.000 . 1 . . . . . 37 LEU CG . 52014 1 214 . 1 . 1 37 37 LEU CD1 C 13 25.751 0.000 . 2 . . . . . 37 LEU CD1 . 52014 1 215 . 1 . 1 37 37 LEU CD2 C 13 22.692 0.000 . 2 . . . . . 37 LEU CD2 . 52014 1 216 . 1 . 1 37 37 LEU N N 15 111.334 0.000 . 1 . . . . . 37 LEU N . 52014 1 217 . 1 . 1 38 38 TYR HA H 1 5.342 0.000 . 1 . . . . . 38 TYR HA . 52014 1 218 . 1 . 1 38 38 TYR HB2 H 1 3.382 0.000 . 2 . . . . . 38 TYR HB2 . 52014 1 219 . 1 . 1 38 38 TYR HB3 H 1 2.654 0.000 . 2 . . . . . 38 TYR HB3 . 52014 1 220 . 1 . 1 38 38 TYR CA C 13 57.201 0.000 . 1 . . . . . 38 TYR CA . 52014 1 221 . 1 . 1 38 38 TYR CB C 13 39.764 0.000 . 1 . . . . . 38 TYR CB . 52014 1 222 . 1 . 1 38 38 TYR N N 15 113.108 0.000 . 1 . . . . . 38 TYR N . 52014 1 223 . 1 . 1 39 39 ARG HA H 1 3.831 0.000 . 1 . . . . . 39 ARG HA . 52014 1 224 . 1 . 1 39 39 ARG HB2 H 1 1.857 0.000 . 1 . . . . . 39 ARG HB2 . 52014 1 225 . 1 . 1 39 39 ARG HB3 H 1 1.857 0.000 . 1 . . . . . 39 ARG HB3 . 52014 1 226 . 1 . 1 39 39 ARG HG2 H 1 1.379 0.000 . 1 . . . . . 39 ARG HG2 . 52014 1 227 . 1 . 1 39 39 ARG HD2 H 1 3.253 0.000 . 2 . . . . . 39 ARG HD2 . 52014 1 228 . 1 . 1 39 39 ARG HD3 H 1 3.156 0.000 . 2 . . . . . 39 ARG HD3 . 52014 1 229 . 1 . 1 39 39 ARG CA C 13 62.045 0.000 . 1 . . . . . 39 ARG CA . 52014 1 230 . 1 . 1 39 39 ARG CB C 13 30.527 0.000 . 1 . . . . . 39 ARG CB . 52014 1 231 . 1 . 1 39 39 ARG CG C 13 26.974 0.001 . 1 . . . . . 39 ARG CG . 52014 1 232 . 1 . 1 39 39 ARG CD C 13 43.666 0.028 . 1 . . . . . 39 ARG CD . 52014 1 233 . 1 . 1 39 39 ARG N N 15 121.686 0.000 . 1 . . . . . 39 ARG N . 52014 1 234 . 1 . 1 40 40 GLU HA H 1 3.796 0.000 . 1 . . . . . 40 GLU HA . 52014 1 235 . 1 . 1 40 40 GLU HB2 H 1 2.511 0.000 . 2 . . . . . 40 GLU HB2 . 52014 1 236 . 1 . 1 40 40 GLU HB3 H 1 3.010 0.000 . 2 . . . . . 40 GLU HB3 . 52014 1 237 . 1 . 1 40 40 GLU HG2 H 1 2.304 0.000 . 2 . . . . . 40 GLU HG2 . 52014 1 238 . 1 . 1 40 40 GLU HG3 H 1 2.331 0.000 . 2 . . . . . 40 GLU HG3 . 52014 1 239 . 1 . 1 40 40 GLU CA C 13 59.456 0.000 . 1 . . . . . 40 GLU CA . 52014 1 240 . 1 . 1 40 40 GLU CB C 13 28.825 0.013 . 1 . . . . . 40 GLU CB . 52014 1 241 . 1 . 1 40 40 GLU CG C 13 37.107 0.002 . 1 . . . . . 40 GLU CG . 52014 1 242 . 1 . 1 40 40 GLU N N 15 115.949 0.000 . 1 . . . . . 40 GLU N . 52014 1 243 . 1 . 1 41 41 ALA HA H 1 4.132 0.000 . 1 . . . . . 41 ALA HA . 52014 1 244 . 1 . 1 41 41 ALA HB1 H 1 1.675 0.000 . 1 . . . . . 41 ALA HB1 . 52014 1 245 . 1 . 1 41 41 ALA HB2 H 1 1.675 0.000 . 1 . . . . . 41 ALA HB2 . 52014 1 246 . 1 . 1 41 41 ALA HB3 H 1 1.675 0.000 . 1 . . . . . 41 ALA HB3 . 52014 1 247 . 1 . 1 41 41 ALA CA C 13 54.890 0.000 . 1 . . . . . 41 ALA CA . 52014 1 248 . 1 . 1 41 41 ALA CB C 13 19.238 0.000 . 1 . . . . . 41 ALA CB . 52014 1 249 . 1 . 1 41 41 ALA N N 15 120.525 0.000 . 1 . . . . . 41 ALA N . 52014 1 250 . 1 . 1 42 42 LEU HA H 1 3.960 0.000 . 1 . . . . . 42 LEU HA . 52014 1 251 . 1 . 1 42 42 LEU HD11 H 1 0.857 0.000 . 2 . . . . . 42 LEU HD11 . 52014 1 252 . 1 . 1 42 42 LEU HD12 H 1 0.857 0.000 . 2 . . . . . 42 LEU HD12 . 52014 1 253 . 1 . 1 42 42 LEU HD13 H 1 0.857 0.000 . 2 . . . . . 42 LEU HD13 . 52014 1 254 . 1 . 1 42 42 LEU HD21 H 1 0.988 0.000 . 2 . . . . . 42 LEU HD21 . 52014 1 255 . 1 . 1 42 42 LEU HD22 H 1 0.988 0.000 . 2 . . . . . 42 LEU HD22 . 52014 1 256 . 1 . 1 42 42 LEU HD23 H 1 0.988 0.000 . 2 . . . . . 42 LEU HD23 . 52014 1 257 . 1 . 1 42 42 LEU CA C 13 58.463 0.000 . 1 . . . . . 42 LEU CA . 52014 1 258 . 1 . 1 42 42 LEU CB C 13 40.866 0.000 . 1 . . . . . 42 LEU CB . 52014 1 259 . 1 . 1 42 42 LEU CG C 13 27.363 0.000 . 1 . . . . . 42 LEU CG . 52014 1 260 . 1 . 1 42 42 LEU CD1 C 13 24.687 0.000 . 2 . . . . . 42 LEU CD1 . 52014 1 261 . 1 . 1 42 42 LEU CD2 C 13 25.754 0.000 . 2 . . . . . 42 LEU CD2 . 52014 1 262 . 1 . 1 42 42 LEU N N 15 119.403 0.000 . 1 . . . . . 42 LEU N . 52014 1 263 . 1 . 1 43 43 GLU HA H 1 4.206 0.014 . 1 . . . . . 43 GLU HA . 52014 1 264 . 1 . 1 43 43 GLU HB2 H 1 2.237 0.000 . 2 . . . . . 43 GLU HB2 . 52014 1 265 . 1 . 1 43 43 GLU HB3 H 1 1.924 0.000 . 2 . . . . . 43 GLU HB3 . 52014 1 266 . 1 . 1 43 43 GLU HG2 H 1 2.519 0.000 . 2 . . . . . 43 GLU HG2 . 52014 1 267 . 1 . 1 43 43 GLU HG3 H 1 2.039 0.000 . 2 . . . . . 43 GLU HG3 . 52014 1 268 . 1 . 1 43 43 GLU CA C 13 57.772 0.095 . 1 . . . . . 43 GLU CA . 52014 1 269 . 1 . 1 43 43 GLU CB C 13 30.329 0.026 . 1 . . . . . 43 GLU CB . 52014 1 270 . 1 . 1 43 43 GLU CG C 13 37.427 0.021 . 1 . . . . . 43 GLU CG . 52014 1 271 . 1 . 1 43 43 GLU N N 15 118.592 0.000 . 1 . . . . . 43 GLU N . 52014 1 272 . 1 . 1 44 44 SER HA H 1 4.685 0.000 . 1 . . . . . 44 SER HA . 52014 1 273 . 1 . 1 44 44 SER HB2 H 1 4.370 0.000 . 2 . . . . . 44 SER HB2 . 52014 1 274 . 1 . 1 44 44 SER HB3 H 1 4.192 0.000 . 2 . . . . . 44 SER HB3 . 52014 1 275 . 1 . 1 44 44 SER CA C 13 58.071 0.000 . 1 . . . . . 44 SER CA . 52014 1 276 . 1 . 1 44 44 SER CB C 13 63.686 0.001 . 1 . . . . . 44 SER CB . 52014 1 277 . 1 . 1 44 44 SER N N 15 116.259 0.000 . 1 . . . . . 44 SER N . 52014 1 278 . 1 . 1 45 45 PRO HA H 1 4.248 0.000 . 1 . . . . . 45 PRO HA . 52014 1 279 . 1 . 1 45 45 PRO HB2 H 1 2.177 0.012 . 1 . . . . . 45 PRO HB2 . 52014 1 280 . 1 . 1 45 45 PRO HG2 H 1 1.882 0.000 . 1 . . . . . 45 PRO HG2 . 52014 1 281 . 1 . 1 45 45 PRO CA C 13 62.645 0.000 . 1 . . . . . 45 PRO CA . 52014 1 282 . 1 . 1 45 45 PRO CB C 13 30.800 0.020 . 1 . . . . . 45 PRO CB . 52014 1 283 . 1 . 1 45 45 PRO CG C 13 27.050 0.063 . 1 . . . . . 45 PRO CG . 52014 1 284 . 1 . 1 45 45 PRO N N 15 131.942 0.000 . 1 . . . . . 45 PRO N . 52014 1 285 . 1 . 1 46 46 GLU HA H 1 4.334 0.000 . 1 . . . . . 46 GLU HA . 52014 1 286 . 1 . 1 46 46 GLU HB2 H 1 1.698 0.000 . 2 . . . . . 46 GLU HB2 . 52014 1 287 . 1 . 1 46 46 GLU HB3 H 1 1.921 0.000 . 2 . . . . . 46 GLU HB3 . 52014 1 288 . 1 . 1 46 46 GLU HG2 H 1 2.047 0.000 . 1 . . . . . 46 GLU HG2 . 52014 1 289 . 1 . 1 46 46 GLU CA C 13 54.343 0.000 . 1 . . . . . 46 GLU CA . 52014 1 290 . 1 . 1 46 46 GLU CB C 13 31.326 0.037 . 1 . . . . . 46 GLU CB . 52014 1 291 . 1 . 1 46 46 GLU CG C 13 35.907 0.000 . 1 . . . . . 46 GLU CG . 52014 1 292 . 1 . 1 46 46 GLU N N 15 117.968 0.000 . 1 . . . . . 46 GLU N . 52014 1 293 . 1 . 1 47 47 HIS HA H 1 3.021 0.000 . 1 . . . . . 47 HIS HA . 52014 1 294 . 1 . 1 47 47 HIS HB2 H 1 2.827 0.000 . 2 . . . . . 47 HIS HB2 . 52014 1 295 . 1 . 1 47 47 HIS HB3 H 1 2.789 0.000 . 2 . . . . . 47 HIS HB3 . 52014 1 296 . 1 . 1 47 47 HIS CA C 13 59.212 0.000 . 1 . . . . . 47 HIS CA . 52014 1 297 . 1 . 1 47 47 HIS CB C 13 28.562 0.002 . 1 . . . . . 47 HIS CB . 52014 1 298 . 1 . 1 47 47 HIS N N 15 120.367 0.000 . 1 . . . . . 47 HIS N . 52014 1 299 . 1 . 1 48 48 CYS HA H 1 3.476 0.000 . 1 . . . . . 48 CYS HA . 52014 1 300 . 1 . 1 48 48 CYS HB2 H 1 1.760 0.000 . 2 . . . . . 48 CYS HB2 . 52014 1 301 . 1 . 1 48 48 CYS HB3 H 1 2.553 0.000 . 2 . . . . . 48 CYS HB3 . 52014 1 302 . 1 . 1 48 48 CYS CA C 13 65.419 0.000 . 1 . . . . . 48 CYS CA . 52014 1 303 . 1 . 1 48 48 CYS CB C 13 23.117 0.014 . 1 . . . . . 48 CYS CB . 52014 1 304 . 1 . 1 48 48 CYS N N 15 108.137 0.000 . 1 . . . . . 48 CYS N . 52014 1 305 . 1 . 1 49 49 SER HA H 1 4.904 0.000 . 1 . . . . . 49 SER HA . 52014 1 306 . 1 . 1 49 49 SER HB2 H 1 4.395 0.000 . 1 . . . . . 49 SER HB2 . 52014 1 307 . 1 . 1 49 49 SER HB3 H 1 4.395 0.000 . 1 . . . . . 49 SER HB3 . 52014 1 308 . 1 . 1 49 49 SER CA C 13 59.514 0.000 . 1 . . . . . 49 SER CA . 52014 1 309 . 1 . 1 49 49 SER CB C 13 64.782 0.000 . 1 . . . . . 49 SER CB . 52014 1 310 . 1 . 1 49 49 SER N N 15 118.685 0.000 . 1 . . . . . 49 SER N . 52014 1 311 . 1 . 1 50 50 PRO HA H 1 3.350 0.000 . 1 . . . . . 50 PRO HA . 52014 1 312 . 1 . 1 50 50 PRO HB2 H 1 1.934 0.000 . 2 . . . . . 50 PRO HB2 . 52014 1 313 . 1 . 1 50 50 PRO HB3 H 1 1.950 0.000 . 2 . . . . . 50 PRO HB3 . 52014 1 314 . 1 . 1 50 50 PRO HG2 H 1 2.004 0.000 . 2 . . . . . 50 PRO HG2 . 52014 1 315 . 1 . 1 50 50 PRO HG3 H 1 1.418 0.000 . 2 . . . . . 50 PRO HG3 . 52014 1 316 . 1 . 1 50 50 PRO HD2 H 1 3.819 0.000 . 2 . . . . . 50 PRO HD2 . 52014 1 317 . 1 . 1 50 50 PRO HD3 H 1 3.848 0.000 . 2 . . . . . 50 PRO HD3 . 52014 1 318 . 1 . 1 50 50 PRO CA C 13 64.530 0.000 . 1 . . . . . 50 PRO CA . 52014 1 319 . 1 . 1 50 50 PRO CB C 13 32.202 0.000 . 1 . . . . . 50 PRO CB . 52014 1 320 . 1 . 1 50 50 PRO CG C 13 26.487 0.015 . 1 . . . . . 50 PRO CG . 52014 1 321 . 1 . 1 50 50 PRO CD C 13 50.624 0.000 . 1 . . . . . 50 PRO CD . 52014 1 322 . 1 . 1 50 50 PRO N N 15 133.269 0.000 . 1 . . . . . 50 PRO N . 52014 1 323 . 1 . 1 51 51 HIS HA H 1 4.122 0.000 . 1 . . . . . 51 HIS HA . 52014 1 324 . 1 . 1 51 51 HIS CA C 13 58.666 0.000 . 1 . . . . . 51 HIS CA . 52014 1 325 . 1 . 1 51 51 HIS CB C 13 28.757 0.000 . 1 . . . . . 51 HIS CB . 52014 1 326 . 1 . 1 51 51 HIS N N 15 113.753 0.000 . 1 . . . . . 51 HIS N . 52014 1 327 . 1 . 1 52 52 HIS HA H 1 3.816 0.000 . 1 . . . . . 52 HIS HA . 52014 1 328 . 1 . 1 52 52 HIS HB2 H 1 2.701 0.000 . 1 . . . . . 52 HIS HB2 . 52014 1 329 . 1 . 1 52 52 HIS CA C 13 61.898 0.000 . 1 . . . . . 52 HIS CA . 52014 1 330 . 1 . 1 52 52 HIS CB C 13 29.785 0.000 . 1 . . . . . 52 HIS CB . 52014 1 331 . 1 . 1 53 53 THR HA H 1 4.273 0.000 . 1 . . . . . 53 THR HA . 52014 1 332 . 1 . 1 53 53 THR HB H 1 3.990 0.000 . 1 . . . . . 53 THR HB . 52014 1 333 . 1 . 1 53 53 THR HG21 H 1 1.486 0.000 . 1 . . . . . 53 THR HG1 . 52014 1 334 . 1 . 1 53 53 THR HG22 H 1 1.486 0.000 . 1 . . . . . 53 THR HG1 . 52014 1 335 . 1 . 1 53 53 THR HG23 H 1 1.486 0.000 . 1 . . . . . 53 THR HG1 . 52014 1 336 . 1 . 1 53 53 THR CA C 13 68.269 0.000 . 1 . . . . . 53 THR CA . 52014 1 337 . 1 . 1 53 53 THR CB C 13 69.346 0.000 . 1 . . . . . 53 THR CB . 52014 1 338 . 1 . 1 53 53 THR CG2 C 13 21.642 0.000 . 1 . . . . . 53 THR CG2 . 52014 1 339 . 1 . 1 53 53 THR N N 15 117.201 0.000 . 1 . . . . . 53 THR N . 52014 1 340 . 1 . 1 54 54 ALA HA H 1 3.778 0.000 . 1 . . . . . 54 ALA HA . 52014 1 341 . 1 . 1 54 54 ALA CA C 13 55.932 0.000 . 1 . . . . . 54 ALA CA . 52014 1 342 . 1 . 1 54 54 ALA N N 15 123.101 0.000 . 1 . . . . . 54 ALA N . 52014 1 343 . 1 . 1 55 55 LEU HA H 1 3.773 0.000 . 1 . . . . . 55 LEU HA . 52014 1 344 . 1 . 1 55 55 LEU HG H 1 1.531 0.000 . 1 . . . . . 55 LEU HG . 52014 1 345 . 1 . 1 55 55 LEU HD11 H 1 0.544 0.000 . 1 . . . . . 55 LEU HD11 . 52014 1 346 . 1 . 1 55 55 LEU HD12 H 1 0.544 0.000 . 1 . . . . . 55 LEU HD12 . 52014 1 347 . 1 . 1 55 55 LEU HD13 H 1 0.544 0.000 . 1 . . . . . 55 LEU HD13 . 52014 1 348 . 1 . 1 55 55 LEU CA C 13 58.054 0.000 . 1 . . . . . 55 LEU CA . 52014 1 349 . 1 . 1 55 55 LEU CB C 13 43.280 0.000 . 1 . . . . . 55 LEU CB . 52014 1 350 . 1 . 1 55 55 LEU CG C 13 26.915 0.000 . 1 . . . . . 55 LEU CG . 52014 1 351 . 1 . 1 55 55 LEU CD1 C 13 25.180 0.000 . 2 . . . . . 55 LEU CD1 . 52014 1 352 . 1 . 1 55 55 LEU CD2 C 13 25.282 0.000 . 2 . . . . . 55 LEU CD2 . 52014 1 353 . 1 . 1 55 55 LEU N N 15 117.423 0.000 . 1 . . . . . 55 LEU N . 52014 1 354 . 1 . 1 56 56 ARG HA H 1 3.982 0.000 . 1 . . . . . 56 ARG HA . 52014 1 355 . 1 . 1 56 56 ARG HB2 H 1 1.498 0.001 . 1 . . . . . 56 ARG HB2 . 52014 1 356 . 1 . 1 56 56 ARG HG2 H 1 1.627 0.000 . 2 . . . . . 56 ARG HG2 . 52014 1 357 . 1 . 1 56 56 ARG HG3 H 1 1.533 0.000 . 2 . . . . . 56 ARG HG3 . 52014 1 358 . 1 . 1 56 56 ARG HD2 H 1 3.239 0.000 . 2 . . . . . 56 ARG HD2 . 52014 1 359 . 1 . 1 56 56 ARG HD3 H 1 3.313 0.000 . 2 . . . . . 56 ARG HD3 . 52014 1 360 . 1 . 1 56 56 ARG CA C 13 60.906 0.000 . 1 . . . . . 56 ARG CA . 52014 1 361 . 1 . 1 56 56 ARG CB C 13 31.036 0.001 . 1 . . . . . 56 ARG CB . 52014 1 362 . 1 . 1 56 56 ARG CG C 13 30.210 0.014 . 1 . . . . . 56 ARG CG . 52014 1 363 . 1 . 1 56 56 ARG CD C 13 44.618 0.012 . 1 . . . . . 56 ARG CD . 52014 1 364 . 1 . 1 56 56 ARG N N 15 117.139 0.000 . 1 . . . . . 56 ARG N . 52014 1 365 . 1 . 1 57 57 GLN HA H 1 3.996 0.000 . 1 . . . . . 57 GLN HA . 52014 1 366 . 1 . 1 57 57 GLN HB2 H 1 1.341 0.000 . 1 . . . . . 57 GLN HB2 . 52014 1 367 . 1 . 1 57 57 GLN CA C 13 57.591 0.000 . 1 . . . . . 57 GLN CA . 52014 1 368 . 1 . 1 57 57 GLN CB C 13 27.918 0.000 . 1 . . . . . 57 GLN CB . 52014 1 369 . 1 . 1 57 57 GLN N N 15 112.982 0.000 . 1 . . . . . 57 GLN N . 52014 1 370 . 1 . 1 58 58 ALA HA H 1 4.167 0.000 . 1 . . . . . 58 ALA HA . 52014 1 371 . 1 . 1 58 58 ALA HB1 H 1 1.594 0.000 . 1 . . . . . 58 ALA HB1 . 52014 1 372 . 1 . 1 58 58 ALA HB2 H 1 1.594 0.000 . 1 . . . . . 58 ALA HB2 . 52014 1 373 . 1 . 1 58 58 ALA HB3 H 1 1.594 0.000 . 1 . . . . . 58 ALA HB3 . 52014 1 374 . 1 . 1 58 58 ALA CA C 13 55.906 0.000 . 1 . . . . . 58 ALA CA . 52014 1 375 . 1 . 1 58 58 ALA CB C 13 19.213 0.000 . 1 . . . . . 58 ALA CB . 52014 1 376 . 1 . 1 59 59 ILE HA H 1 3.623 0.000 . 1 . . . . . 59 ILE HA . 52014 1 377 . 1 . 1 59 59 ILE HB H 1 1.848 0.000 . 1 . . . . . 59 ILE HB . 52014 1 378 . 1 . 1 59 59 ILE HG21 H 1 0.982 0.000 . 1 . . . . . 59 ILE HG21 . 52014 1 379 . 1 . 1 59 59 ILE HG22 H 1 0.982 0.000 . 1 . . . . . 59 ILE HG22 . 52014 1 380 . 1 . 1 59 59 ILE HG23 H 1 0.982 0.000 . 1 . . . . . 59 ILE HG23 . 52014 1 381 . 1 . 1 59 59 ILE HD11 H 1 0.740 0.000 . 1 . . . . . 59 ILE HD11 . 52014 1 382 . 1 . 1 59 59 ILE HD12 H 1 0.740 0.000 . 1 . . . . . 59 ILE HD12 . 52014 1 383 . 1 . 1 59 59 ILE HD13 H 1 0.740 0.000 . 1 . . . . . 59 ILE HD13 . 52014 1 384 . 1 . 1 59 59 ILE CA C 13 66.421 0.000 . 1 . . . . . 59 ILE CA . 52014 1 385 . 1 . 1 59 59 ILE CB C 13 38.544 0.000 . 1 . . . . . 59 ILE CB . 52014 1 386 . 1 . 1 59 59 ILE CG1 C 13 30.932 0.000 . 1 . . . . . 59 ILE CG1 . 52014 1 387 . 1 . 1 59 59 ILE CG2 C 13 17.371 0.000 . 1 . . . . . 59 ILE CG2 . 52014 1 388 . 1 . 1 59 59 ILE CD1 C 13 14.019 0.000 . 1 . . . . . 59 ILE CD1 . 52014 1 389 . 1 . 1 59 59 ILE N N 15 118.369 0.000 . 1 . . . . . 59 ILE N . 52014 1 390 . 1 . 1 61 61 CYS HB2 H 1 3.250 0.000 . 1 . . . . . 61 CYS HB2 . 52014 1 391 . 1 . 1 61 61 CYS CA C 13 63.548 0.000 . 1 . . . . . 61 CYS CA . 52014 1 392 . 1 . 1 61 61 CYS CB C 13 28.212 0.000 . 1 . . . . . 61 CYS CB . 52014 1 393 . 1 . 1 62 62 TRP HA H 1 3.922 0.000 . 1 . . . . . 62 TRP HA . 52014 1 394 . 1 . 1 62 62 TRP CA C 13 60.146 0.000 . 1 . . . . . 62 TRP CA . 52014 1 395 . 1 . 1 62 62 TRP N N 15 119.895 0.000 . 1 . . . . . 62 TRP N . 52014 1 396 . 1 . 1 63 63 GLY HA2 H 1 3.697 0.000 . 2 . . . . . 63 GLY HA2 . 52014 1 397 . 1 . 1 63 63 GLY HA3 H 1 4.075 0.000 . 2 . . . . . 63 GLY HA3 . 52014 1 398 . 1 . 1 63 63 GLY CA C 13 47.644 0.003 . 1 . . . . . 63 GLY CA . 52014 1 399 . 1 . 1 63 63 GLY N N 15 104.776 0.000 . 1 . . . . . 63 GLY N . 52014 1 400 . 1 . 1 64 64 GLU HB2 H 1 2.213 0.000 . 1 . . . . . 64 GLU HB2 . 52014 1 401 . 1 . 1 64 64 GLU HG2 H 1 2.358 0.000 . 1 . . . . . 64 GLU HG2 . 52014 1 402 . 1 . 1 64 64 GLU CB C 13 28.886 0.000 . 1 . . . . . 64 GLU CB . 52014 1 403 . 1 . 1 64 64 GLU CG C 13 36.436 0.000 . 1 . . . . . 64 GLU CG . 52014 1 404 . 1 . 1 65 65 LEU HG H 1 1.427 0.000 . 1 . . . . . 65 LEU HG . 52014 1 405 . 1 . 1 65 65 LEU HD11 H 1 0.588 0.000 . 2 . . . . . 65 LEU HD11 . 52014 1 406 . 1 . 1 65 65 LEU HD12 H 1 0.588 0.000 . 2 . . . . . 65 LEU HD12 . 52014 1 407 . 1 . 1 65 65 LEU HD13 H 1 0.588 0.000 . 2 . . . . . 65 LEU HD13 . 52014 1 408 . 1 . 1 65 65 LEU HD21 H 1 0.982 0.000 . 2 . . . . . 65 LEU HD21 . 52014 1 409 . 1 . 1 65 65 LEU HD22 H 1 0.982 0.000 . 2 . . . . . 65 LEU HD22 . 52014 1 410 . 1 . 1 65 65 LEU HD23 H 1 0.982 0.000 . 2 . . . . . 65 LEU HD23 . 52014 1 411 . 1 . 1 65 65 LEU CA C 13 57.446 0.000 . 1 . . . . . 65 LEU CA . 52014 1 412 . 1 . 1 65 65 LEU CB C 13 39.901 0.000 . 1 . . . . . 65 LEU CB . 52014 1 413 . 1 . 1 65 65 LEU CG C 13 27.405 0.000 . 1 . . . . . 65 LEU CG . 52014 1 414 . 1 . 1 65 65 LEU CD1 C 13 22.812 0.000 . 1 . . . . . 65 LEU CD1 . 52014 1 415 . 1 . 1 65 65 LEU CD2 C 13 22.812 0.000 . 1 . . . . . 65 LEU CD2 . 52014 1 416 . 1 . 1 65 65 LEU N N 15 124.622 0.000 . 1 . . . . . 65 LEU N . 52014 1 417 . 1 . 1 66 66 MET HA H 1 4.218 0.000 . 1 . . . . . 66 MET HA . 52014 1 418 . 1 . 1 66 66 MET HB2 H 1 1.771 0.000 . 2 . . . . . 66 MET HB2 . 52014 1 419 . 1 . 1 66 66 MET HB3 H 1 1.775 0.000 . 2 . . . . . 66 MET HB3 . 52014 1 420 . 1 . 1 66 66 MET HG2 H 1 2.159 0.000 . 1 . . . . . 66 MET HG2 . 52014 1 421 . 1 . 1 66 66 MET CA C 13 57.138 0.000 . 1 . . . . . 66 MET CA . 52014 1 422 . 1 . 1 66 66 MET CB C 13 33.735 0.000 . 1 . . . . . 66 MET CB . 52014 1 423 . 1 . 1 66 66 MET CG C 13 33.761 0.000 . 1 . . . . . 66 MET CG . 52014 1 424 . 1 . 1 66 66 MET N N 15 120.124 0.000 . 1 . . . . . 66 MET N . 52014 1 425 . 1 . 1 67 67 THR HA H 1 3.973 0.002 . 1 . . . . . 67 THR HA . 52014 1 426 . 1 . 1 67 67 THR HB H 1 4.431 0.007 . 1 . . . . . 67 THR HB . 52014 1 427 . 1 . 1 67 67 THR HG21 H 1 1.343 0.000 . 1 . . . . . 67 THR HG21 . 52014 1 428 . 1 . 1 67 67 THR HG22 H 1 1.343 0.000 . 1 . . . . . 67 THR HG22 . 52014 1 429 . 1 . 1 67 67 THR HG23 H 1 1.343 0.000 . 1 . . . . . 67 THR HG23 . 52014 1 430 . 1 . 1 67 67 THR CA C 13 67.250 0.053 . 1 . . . . . 67 THR CA . 52014 1 431 . 1 . 1 67 67 THR CB C 13 68.219 0.058 . 1 . . . . . 67 THR CB . 52014 1 432 . 1 . 1 67 67 THR CG2 C 13 22.348 0.000 . 1 . . . . . 67 THR CG2 . 52014 1 433 . 1 . 1 67 67 THR N N 15 121.234 0.000 . 1 . . . . . 67 THR N . 52014 1 434 . 1 . 1 68 68 LEU HA H 1 3.975 0.000 . 1 . . . . . 68 LEU HA . 52014 1 435 . 1 . 1 68 68 LEU HG H 1 1.989 0.000 . 1 . . . . . 68 LEU HG . 52014 1 436 . 1 . 1 68 68 LEU HD11 H 1 1.081 0.000 . 1 . . . . . 68 LEU HD11 . 52014 1 437 . 1 . 1 68 68 LEU HD12 H 1 1.081 0.000 . 1 . . . . . 68 LEU HD12 . 52014 1 438 . 1 . 1 68 68 LEU HD13 H 1 1.081 0.000 . 1 . . . . . 68 LEU HD13 . 52014 1 439 . 1 . 1 68 68 LEU CA C 13 58.488 0.000 . 1 . . . . . 68 LEU CA . 52014 1 440 . 1 . 1 68 68 LEU CG C 13 27.529 0.000 . 1 . . . . . 68 LEU CG . 52014 1 441 . 1 . 1 68 68 LEU CD1 C 13 23.920 0.000 . 1 . . . . . 68 LEU CD1 . 52014 1 442 . 1 . 1 68 68 LEU N N 15 124.270 0.000 . 1 . . . . . 68 LEU N . 52014 1 443 . 1 . 1 69 69 ALA HA H 1 3.837 0.000 . 1 . . . . . 69 ALA HA . 52014 1 444 . 1 . 1 69 69 ALA CA C 13 55.833 0.000 . 1 . . . . . 69 ALA CA . 52014 1 445 . 1 . 1 69 69 ALA N N 15 121.597 0.000 . 1 . . . . . 69 ALA N . 52014 1 446 . 1 . 1 70 70 THR HA H 1 3.940 0.001 . 1 . . . . . 70 THR HA . 52014 1 447 . 1 . 1 70 70 THR HB H 1 4.342 0.001 . 1 . . . . . 70 THR HB . 52014 1 448 . 1 . 1 70 70 THR HG21 H 1 1.270 0.000 . 1 . . . . . 70 THR HG21 . 52014 1 449 . 1 . 1 70 70 THR HG22 H 1 1.270 0.000 . 1 . . . . . 70 THR HG22 . 52014 1 450 . 1 . 1 70 70 THR HG23 H 1 1.270 0.000 . 1 . . . . . 70 THR HG23 . 52014 1 451 . 1 . 1 70 70 THR CA C 13 66.577 0.010 . 1 . . . . . 70 THR CA . 52014 1 452 . 1 . 1 70 70 THR CB C 13 68.914 0.011 . 1 . . . . . 70 THR CB . 52014 1 453 . 1 . 1 70 70 THR CG2 C 13 21.747 0.000 . 1 . . . . . 70 THR CG2 . 52014 1 454 . 1 . 1 70 70 THR N N 15 116.898 0.000 . 1 . . . . . 70 THR N . 52014 1 455 . 1 . 1 71 71 TRP HA H 1 4.038 0.000 . 1 . . . . . 71 TRP HA . 52014 1 456 . 1 . 1 71 71 TRP HB2 H 1 3.288 0.000 . 2 . . . . . 71 TRP HB2 . 52014 1 457 . 1 . 1 71 71 TRP HB3 H 1 3.258 0.000 . 2 . . . . . 71 TRP HB3 . 52014 1 458 . 1 . 1 71 71 TRP CA C 13 62.833 0.000 . 1 . . . . . 71 TRP CA . 52014 1 459 . 1 . 1 71 71 TRP CB C 13 28.773 0.000 . 1 . . . . . 71 TRP CB . 52014 1 460 . 1 . 1 71 71 TRP N N 15 125.196 0.000 . 1 . . . . . 71 TRP N . 52014 1 461 . 1 . 1 72 72 VAL HA H 1 3.747 0.000 . 1 . . . . . 72 VAL HA . 52014 1 462 . 1 . 1 72 72 VAL HB H 1 2.148 0.000 . 1 . . . . . 72 VAL HB . 52014 1 463 . 1 . 1 72 72 VAL CA C 13 65.700 0.000 . 1 . . . . . 72 VAL CA . 52014 1 464 . 1 . 1 72 72 VAL CB C 13 32.047 0.000 . 1 . . . . . 72 VAL CB . 52014 1 465 . 1 . 1 72 72 VAL N N 15 118.995 0.000 . 1 . . . . . 72 VAL N . 52014 1 466 . 1 . 1 73 73 GLY HA2 H 1 3.644 0.000 . 2 . . . . . 73 GLY HA2 . 52014 1 467 . 1 . 1 73 73 GLY HA3 H 1 3.965 0.000 . 2 . . . . . 73 GLY HA3 . 52014 1 468 . 1 . 1 73 73 GLY CA C 13 46.941 0.003 . 1 . . . . . 73 GLY CA . 52014 1 469 . 1 . 1 73 73 GLY N N 15 104.986 0.000 . 1 . . . . . 73 GLY N . 52014 1 470 . 1 . 1 74 74 VAL HA H 1 4.019 0.000 . 1 . . . . . 74 VAL HA . 52014 1 471 . 1 . 1 74 74 VAL HB H 1 1.838 0.000 . 1 . . . . . 74 VAL HB . 52014 1 472 . 1 . 1 74 74 VAL HG11 H 1 0.735 0.000 . 2 . . . . . 74 VAL HG11 . 52014 1 473 . 1 . 1 74 74 VAL HG12 H 1 0.735 0.000 . 2 . . . . . 74 VAL HG12 . 52014 1 474 . 1 . 1 74 74 VAL HG13 H 1 0.735 0.000 . 2 . . . . . 74 VAL HG13 . 52014 1 475 . 1 . 1 74 74 VAL HG21 H 1 0.884 0.000 . 2 . . . . . 74 VAL HG21 . 52014 1 476 . 1 . 1 74 74 VAL HG22 H 1 0.884 0.000 . 2 . . . . . 74 VAL HG22 . 52014 1 477 . 1 . 1 74 74 VAL HG23 H 1 0.884 0.000 . 2 . . . . . 74 VAL HG23 . 52014 1 478 . 1 . 1 74 74 VAL CA C 13 63.197 0.000 . 1 . . . . . 74 VAL CA . 52014 1 479 . 1 . 1 74 74 VAL CB C 13 33.150 0.000 . 1 . . . . . 74 VAL CB . 52014 1 480 . 1 . 1 74 74 VAL CG1 C 13 21.286 0.000 . 2 . . . . . 74 VAL CG1 . 52014 1 481 . 1 . 1 74 74 VAL CG2 C 13 21.221 0.000 . 2 . . . . . 74 VAL CG2 . 52014 1 482 . 1 . 1 74 74 VAL N N 15 114.760 0.000 . 1 . . . . . 74 VAL N . 52014 1 483 . 1 . 1 75 75 ASN HA H 1 4.289 0.000 . 1 . . . . . 75 ASN HA . 52014 1 484 . 1 . 1 75 75 ASN HB2 H 1 1.565 0.000 . 2 . . . . . 75 ASN HB2 . 52014 1 485 . 1 . 1 75 75 ASN HB3 H 1 0.739 0.000 . 2 . . . . . 75 ASN HB3 . 52014 1 486 . 1 . 1 75 75 ASN CA C 13 55.544 0.000 . 1 . . . . . 75 ASN CA . 52014 1 487 . 1 . 1 75 75 ASN CB C 13 39.816 0.039 . 1 . . . . . 75 ASN CB . 52014 1 488 . 1 . 1 75 75 ASN N N 15 114.801 0.000 . 1 . . . . . 75 ASN N . 52014 1 489 . 1 . 1 76 76 LEU HA H 1 4.490 0.000 . 1 . . . . . 76 LEU HA . 52014 1 490 . 1 . 1 76 76 LEU CA C 13 55.476 0.000 . 1 . . . . . 76 LEU CA . 52014 1 491 . 1 . 1 76 76 LEU CB C 13 40.643 0.000 . 1 . . . . . 76 LEU CB . 52014 1 492 . 1 . 1 76 76 LEU N N 15 119.291 0.000 . 1 . . . . . 76 LEU N . 52014 1 493 . 1 . 1 77 77 GLU HA H 1 4.031 0.000 . 1 . . . . . 77 GLU HA . 52014 1 494 . 1 . 1 77 77 GLU HB2 H 1 2.056 0.000 . 2 . . . . . 77 GLU HB2 . 52014 1 495 . 1 . 1 77 77 GLU HB3 H 1 1.874 0.000 . 2 . . . . . 77 GLU HB3 . 52014 1 496 . 1 . 1 77 77 GLU HG2 H 1 2.246 0.000 . 1 . . . . . 77 GLU HG2 . 52014 1 497 . 1 . 1 77 77 GLU CA C 13 57.240 0.000 . 1 . . . . . 77 GLU CA . 52014 1 498 . 1 . 1 77 77 GLU CB C 13 30.475 0.020 . 1 . . . . . 77 GLU CB . 52014 1 499 . 1 . 1 77 77 GLU CG C 13 36.659 0.000 . 1 . . . . . 77 GLU CG . 52014 1 500 . 1 . 1 77 77 GLU N N 15 123.175 0.000 . 1 . . . . . 77 GLU N . 52014 1 501 . 1 . 1 78 78 ASP HA H 1 5.046 0.000 . 1 . . . . . 78 ASP HA . 52014 1 502 . 1 . 1 78 78 ASP HB2 H 1 2.602 0.000 . 2 . . . . . 78 ASP HB2 . 52014 1 503 . 1 . 1 78 78 ASP HB3 H 1 2.771 0.000 . 2 . . . . . 78 ASP HB3 . 52014 1 504 . 1 . 1 78 78 ASP CA C 13 51.446 0.000 . 1 . . . . . 78 ASP CA . 52014 1 505 . 1 . 1 78 78 ASP CB C 13 42.858 0.017 . 1 . . . . . 78 ASP CB . 52014 1 506 . 1 . 1 78 78 ASP N N 15 119.026 0.000 . 1 . . . . . 78 ASP N . 52014 1 507 . 1 . 1 79 79 PRO HA H 1 3.994 0.000 . 1 . . . . . 79 PRO HA . 52014 1 508 . 1 . 1 79 79 PRO HB2 H 1 2.356 0.000 . 2 . . . . . 79 PRO HB2 . 52014 1 509 . 1 . 1 79 79 PRO HB3 H 1 2.036 0.000 . 2 . . . . . 79 PRO HB3 . 52014 1 510 . 1 . 1 79 79 PRO HG2 H 1 2.016 0.000 . 2 . . . . . 79 PRO HG2 . 52014 1 511 . 1 . 1 79 79 PRO HG3 H 1 2.037 0.000 . 2 . . . . . 79 PRO HG3 . 52014 1 512 . 1 . 1 79 79 PRO HD2 H 1 4.357 0.000 . 1 . . . . . 79 PRO HD2 . 52014 1 513 . 1 . 1 79 79 PRO HD3 H 1 4.357 0.000 . 1 . . . . . 79 PRO HD3 . 52014 1 514 . 1 . 1 79 79 PRO CA C 13 65.370 0.000 . 1 . . . . . 79 PRO CA . 52014 1 515 . 1 . 1 79 79 PRO CB C 13 32.256 0.006 . 1 . . . . . 79 PRO CB . 52014 1 516 . 1 . 1 79 79 PRO CG C 13 27.510 0.001 . 1 . . . . . 79 PRO CG . 52014 1 517 . 1 . 1 79 79 PRO CD C 13 51.444 0.000 . 1 . . . . . 79 PRO CD . 52014 1 518 . 1 . 1 80 80 ALA HA H 1 4.212 0.000 . 1 . . . . . 80 ALA HA . 52014 1 519 . 1 . 1 80 80 ALA HB1 H 1 1.532 0.000 . 1 . . . . . 80 ALA HB1 . 52014 1 520 . 1 . 1 80 80 ALA HB2 H 1 1.532 0.000 . 1 . . . . . 80 ALA HB2 . 52014 1 521 . 1 . 1 80 80 ALA HB3 H 1 1.532 0.000 . 1 . . . . . 80 ALA HB3 . 52014 1 522 . 1 . 1 80 80 ALA CA C 13 55.343 0.000 . 1 . . . . . 80 ALA CA . 52014 1 523 . 1 . 1 80 80 ALA CB C 13 18.199 0.000 . 1 . . . . . 80 ALA CB . 52014 1 524 . 1 . 1 80 80 ALA N N 15 118.626 0.000 . 1 . . . . . 80 ALA N . 52014 1 525 . 1 . 1 81 81 SER HA H 1 4.246 0.000 . 1 . . . . . 81 SER HA . 52014 1 526 . 1 . 1 81 81 SER CA C 13 63.308 0.000 . 1 . . . . . 81 SER CA . 52014 1 527 . 1 . 1 81 81 SER N N 15 114.601 0.000 . 1 . . . . . 81 SER N . 52014 1 528 . 1 . 1 82 82 ARG HA H 1 3.691 0.000 . 1 . . . . . 82 ARG HA . 52014 1 529 . 1 . 1 82 82 ARG HB2 H 1 1.967 0.000 . 2 . . . . . 82 ARG HB2 . 52014 1 530 . 1 . 1 82 82 ARG HB3 H 1 1.995 0.000 . 2 . . . . . 82 ARG HB3 . 52014 1 531 . 1 . 1 82 82 ARG HG2 H 1 1.437 0.000 . 1 . . . . . 82 ARG HG2 . 52014 1 532 . 1 . 1 82 82 ARG CA C 13 59.971 0.000 . 1 . . . . . 82 ARG CA . 52014 1 533 . 1 . 1 82 82 ARG CB C 13 30.424 0.000 . 1 . . . . . 82 ARG CB . 52014 1 534 . 1 . 1 82 82 ARG CG C 13 26.524 0.000 . 1 . . . . . 82 ARG CG . 52014 1 535 . 1 . 1 82 82 ARG CD C 13 43.885 0.000 . 1 . . . . . 82 ARG CD . 52014 1 536 . 1 . 1 82 82 ARG N N 15 120.611 0.000 . 1 . . . . . 82 ARG N . 52014 1 537 . 1 . 1 84 84 LEU HA H 1 4.280 0.000 . 1 . . . . . 84 LEU HA . 52014 1 538 . 1 . 1 84 84 LEU HB2 H 1 2.228 0.000 . 2 . . . . . 84 LEU HB2 . 52014 1 539 . 1 . 1 84 84 LEU HB3 H 1 1.735 0.000 . 2 . . . . . 84 LEU HB3 . 52014 1 540 . 1 . 1 84 84 LEU CA C 13 58.643 0.000 . 1 . . . . . 84 LEU CA . 52014 1 541 . 1 . 1 84 84 LEU CB C 13 43.031 0.006 . 1 . . . . . 84 LEU CB . 52014 1 542 . 1 . 1 84 84 LEU CG C 13 27.526 0.000 . 1 . . . . . 84 LEU CG . 52014 1 543 . 1 . 1 84 84 LEU N N 15 121.362 0.000 . 1 . . . . . 84 LEU N . 52014 1 544 . 1 . 1 85 85 VAL HA H 1 3.712 0.000 . 1 . . . . . 85 VAL HA . 52014 1 545 . 1 . 1 85 85 VAL HB H 1 2.252 0.000 . 1 . . . . . 85 VAL HB . 52014 1 546 . 1 . 1 85 85 VAL HG21 H 1 1.274 0.000 . 1 . . . . . 85 VAL HG21 . 52014 1 547 . 1 . 1 85 85 VAL HG22 H 1 1.274 0.000 . 1 . . . . . 85 VAL HG22 . 52014 1 548 . 1 . 1 85 85 VAL HG23 H 1 1.274 0.000 . 1 . . . . . 85 VAL HG23 . 52014 1 549 . 1 . 1 85 85 VAL CA C 13 67.331 0.000 . 1 . . . . . 85 VAL CA . 52014 1 550 . 1 . 1 85 85 VAL CB C 13 31.940 0.000 . 1 . . . . . 85 VAL CB . 52014 1 551 . 1 . 1 85 85 VAL CG1 C 13 20.969 0.000 . 2 . . . . . 85 VAL CG1 . 52014 1 552 . 1 . 1 85 85 VAL CG2 C 13 24.489 0.000 . 2 . . . . . 85 VAL CG2 . 52014 1 553 . 1 . 1 85 85 VAL N N 15 117.466 0.000 . 1 . . . . . 85 VAL N . 52014 1 554 . 1 . 1 86 86 VAL HA H 1 3.383 0.000 . 1 . . . . . 86 VAL HA . 52014 1 555 . 1 . 1 86 86 VAL HB H 1 2.159 0.000 . 1 . . . . . 86 VAL HB . 52014 1 556 . 1 . 1 86 86 VAL HG11 H 1 0.729 0.006 . 2 . . . . . 86 VAL HG11 . 52014 1 557 . 1 . 1 86 86 VAL HG12 H 1 0.729 0.006 . 2 . . . . . 86 VAL HG12 . 52014 1 558 . 1 . 1 86 86 VAL HG13 H 1 0.729 0.006 . 2 . . . . . 86 VAL HG13 . 52014 1 559 . 1 . 1 86 86 VAL HG21 H 1 0.718 0.000 . 2 . . . . . 86 VAL HG21 . 52014 1 560 . 1 . 1 86 86 VAL HG22 H 1 0.718 0.000 . 2 . . . . . 86 VAL HG22 . 52014 1 561 . 1 . 1 86 86 VAL HG23 H 1 0.718 0.000 . 2 . . . . . 86 VAL HG23 . 52014 1 562 . 1 . 1 86 86 VAL CA C 13 68.161 0.000 . 1 . . . . . 86 VAL CA . 52014 1 563 . 1 . 1 86 86 VAL CB C 13 31.908 0.000 . 1 . . . . . 86 VAL CB . 52014 1 564 . 1 . 1 86 86 VAL CG1 C 13 23.774 0.000 . 2 . . . . . 86 VAL CG1 . 52014 1 565 . 1 . 1 86 86 VAL CG2 C 13 21.486 0.000 . 2 . . . . . 86 VAL CG2 . 52014 1 566 . 1 . 1 86 86 VAL N N 15 118.734 0.000 . 1 . . . . . 86 VAL N . 52014 1 567 . 1 . 1 87 87 SER HA H 1 4.404 0.000 . 1 . . . . . 87 SER HA . 52014 1 568 . 1 . 1 87 87 SER CA C 13 62.031 0.000 . 1 . . . . . 87 SER CA . 52014 1 569 . 1 . 1 87 87 SER N N 15 114.441 0.000 . 1 . . . . . 87 SER N . 52014 1 570 . 1 . 1 89 89 VAL HA H 1 3.478 0.000 . 1 . . . . . 89 VAL HA . 52014 1 571 . 1 . 1 89 89 VAL CA C 13 66.690 0.000 . 1 . . . . . 89 VAL CA . 52014 1 572 . 1 . 1 89 89 VAL N N 15 118.928 0.000 . 1 . . . . . 89 VAL N . 52014 1 573 . 1 . 1 90 90 ASN HA H 1 4.587 0.000 . 1 . . . . . 90 ASN HA . 52014 1 574 . 1 . 1 90 90 ASN CA C 13 57.078 0.000 . 1 . . . . . 90 ASN CA . 52014 1 575 . 1 . 1 90 90 ASN N N 15 114.355 0.000 . 1 . . . . . 90 ASN N . 52014 1 576 . 1 . 1 91 91 THR HA H 1 4.232 0.000 . 1 . . . . . 91 THR HA . 52014 1 577 . 1 . 1 91 91 THR HB H 1 4.159 0.000 . 1 . . . . . 91 THR HB . 52014 1 578 . 1 . 1 91 91 THR HG21 H 1 1.162 0.000 . 1 . . . . . 91 THR HG21 . 52014 1 579 . 1 . 1 91 91 THR HG22 H 1 1.162 0.000 . 1 . . . . . 91 THR HG22 . 52014 1 580 . 1 . 1 91 91 THR HG23 H 1 1.162 0.000 . 1 . . . . . 91 THR HG23 . 52014 1 581 . 1 . 1 91 91 THR CA C 13 64.717 0.000 . 1 . . . . . 91 THR CA . 52014 1 582 . 1 . 1 91 91 THR CB C 13 69.215 0.000 . 1 . . . . . 91 THR CB . 52014 1 583 . 1 . 1 91 91 THR CG2 C 13 21.412 0.000 . 1 . . . . . 91 THR CG2 . 52014 1 584 . 1 . 1 91 91 THR N N 15 113.006 0.000 . 1 . . . . . 91 THR N . 52014 1 585 . 1 . 1 92 92 ASN HA H 1 4.322 0.000 . 1 . . . . . 92 ASN HA . 52014 1 586 . 1 . 1 92 92 ASN HB2 H 1 1.741 0.000 . 1 . . . . . 92 ASN HB2 . 52014 1 587 . 1 . 1 92 92 ASN CA C 13 56.581 0.000 . 1 . . . . . 92 ASN CA . 52014 1 588 . 1 . 1 92 92 ASN CB C 13 37.536 0.000 . 1 . . . . . 92 ASN CB . 52014 1 589 . 1 . 1 92 92 ASN N N 15 120.815 0.000 . 1 . . . . . 92 ASN N . 52014 1 590 . 1 . 1 93 93 MET HA H 1 4.033 0.000 . 1 . . . . . 93 MET HA . 52014 1 591 . 1 . 1 93 93 MET HB2 H 1 2.164 0.000 . 1 . . . . . 93 MET HB2 . 52014 1 592 . 1 . 1 93 93 MET HG2 H 1 2.660 0.000 . 1 . . . . . 93 MET HG2 . 52014 1 593 . 1 . 1 93 93 MET CA C 13 59.506 0.000 . 1 . . . . . 93 MET CA . 52014 1 594 . 1 . 1 93 93 MET CB C 13 32.312 0.000 . 1 . . . . . 93 MET CB . 52014 1 595 . 1 . 1 93 93 MET CG C 13 33.409 0.002 . 1 . . . . . 93 MET CG . 52014 1 596 . 1 . 1 94 94 GLY HA2 H 1 4.078 0.000 . 2 . . . . . 94 GLY HA2 . 52014 1 597 . 1 . 1 94 94 GLY HA3 H 1 3.691 0.000 . 2 . . . . . 94 GLY HA3 . 52014 1 598 . 1 . 1 94 94 GLY CA C 13 47.628 0.005 . 1 . . . . . 94 GLY CA . 52014 1 599 . 1 . 1 94 94 GLY N N 15 104.811 0.000 . 1 . . . . . 94 GLY N . 52014 1 600 . 1 . 1 95 95 LEU HA H 1 3.785 0.000 . 1 . . . . . 95 LEU HA . 52014 1 601 . 1 . 1 95 95 LEU CA C 13 58.525 0.000 . 1 . . . . . 95 LEU CA . 52014 1 602 . 1 . 1 95 95 LEU CB C 13 41.125 0.000 . 1 . . . . . 95 LEU CB . 52014 1 603 . 1 . 1 95 95 LEU CG C 13 27.408 0.000 . 1 . . . . . 95 LEU CG . 52014 1 604 . 1 . 1 95 95 LEU N N 15 120.048 0.000 . 1 . . . . . 95 LEU N . 52014 1 605 . 1 . 1 96 96 LYS HA H 1 4.027 0.006 . 1 . . . . . 96 LYS HA . 52014 1 606 . 1 . 1 96 96 LYS HG2 H 1 1.391 0.000 . 1 . . . . . 96 LYS HG2 . 52014 1 607 . 1 . 1 96 96 LYS HD2 H 1 1.742 0.000 . 2 . . . . . 96 LYS HD2 . 52014 1 608 . 1 . 1 96 96 LYS HD3 H 1 1.842 0.000 . 2 . . . . . 96 LYS HD3 . 52014 1 609 . 1 . 1 96 96 LYS HE2 H 1 2.918 0.000 . 2 . . . . . 96 LYS HE2 . 52014 1 610 . 1 . 1 96 96 LYS HE3 H 1 3.018 0.000 . 2 . . . . . 96 LYS HE3 . 52014 1 611 . 1 . 1 96 96 LYS CA C 13 59.656 0.149 . 1 . . . . . 96 LYS CA . 52014 1 612 . 1 . 1 96 96 LYS CB C 13 32.235 0.000 . 1 . . . . . 96 LYS CB . 52014 1 613 . 1 . 1 96 96 LYS CG C 13 26.648 0.000 . 1 . . . . . 96 LYS CG . 52014 1 614 . 1 . 1 96 96 LYS CD C 13 29.671 0.000 . 1 . . . . . 96 LYS CD . 52014 1 615 . 1 . 1 96 96 LYS CE C 13 42.195 0.006 . 1 . . . . . 96 LYS CE . 52014 1 616 . 1 . 1 96 96 LYS N N 15 117.434 0.000 . 1 . . . . . 96 LYS N . 52014 1 617 . 1 . 1 97 97 PHE HA H 1 3.809 0.000 . 1 . . . . . 97 PHE HA . 52014 1 618 . 1 . 1 97 97 PHE HB2 H 1 2.048 0.000 . 1 . . . . . 97 PHE HB2 . 52014 1 619 . 1 . 1 97 97 PHE CA C 13 59.824 0.000 . 1 . . . . . 97 PHE CA . 52014 1 620 . 1 . 1 97 97 PHE CB C 13 39.576 0.000 . 1 . . . . . 97 PHE CB . 52014 1 621 . 1 . 1 97 97 PHE N N 15 117.049 0.000 . 1 . . . . . 97 PHE N . 52014 1 622 . 1 . 1 98 98 ARG HA H 1 4.033 0.000 . 1 . . . . . 98 ARG HA . 52014 1 623 . 1 . 1 98 98 ARG HB2 H 1 1.924 0.000 . 1 . . . . . 98 ARG HB2 . 52014 1 624 . 1 . 1 98 98 ARG HG2 H 1 1.773 0.000 . 1 . . . . . 98 ARG HG2 . 52014 1 625 . 1 . 1 98 98 ARG CA C 13 59.639 0.133 . 1 . . . . . 98 ARG CA . 52014 1 626 . 1 . 1 98 98 ARG CB C 13 30.355 0.000 . 1 . . . . . 98 ARG CB . 52014 1 627 . 1 . 1 98 98 ARG CG C 13 26.247 0.001 . 1 . . . . . 98 ARG CG . 52014 1 628 . 1 . 1 98 98 ARG CD C 13 45.189 0.000 . 1 . . . . . 98 ARG CD . 52014 1 629 . 1 . 1 98 98 ARG N N 15 116.713 0.000 . 1 . . . . . 98 ARG N . 52014 1 630 . 1 . 1 100 100 LEU HA H 1 4.361 0.000 . 1 . . . . . 100 LEU HA . 52014 1 631 . 1 . 1 100 100 LEU HG H 1 1.433 0.000 . 1 . . . . . 100 LEU HG . 52014 1 632 . 1 . 1 100 100 LEU CA C 13 59.665 0.000 . 1 . . . . . 100 LEU CA . 52014 1 633 . 1 . 1 100 100 LEU CB C 13 42.864 0.000 . 1 . . . . . 100 LEU CB . 52014 1 634 . 1 . 1 100 100 LEU CG C 13 27.721 0.000 . 1 . . . . . 100 LEU CG . 52014 1 635 . 1 . 1 100 100 LEU N N 15 120.385 0.000 . 1 . . . . . 100 LEU N . 52014 1 636 . 1 . 1 101 101 LEU HA H 1 3.854 0.000 . 1 . . . . . 101 LEU HA . 52014 1 637 . 1 . 1 101 101 LEU HG H 1 1.695 0.000 . 1 . . . . . 101 LEU HG . 52014 1 638 . 1 . 1 101 101 LEU HD11 H 1 0.901 0.000 . 1 . . . . . 101 LEU HD11 . 52014 1 639 . 1 . 1 101 101 LEU HD12 H 1 0.901 0.000 . 1 . . . . . 101 LEU HD12 . 52014 1 640 . 1 . 1 101 101 LEU HD13 H 1 0.901 0.000 . 1 . . . . . 101 LEU HD13 . 52014 1 641 . 1 . 1 101 101 LEU CA C 13 58.286 0.000 . 1 . . . . . 101 LEU CA . 52014 1 642 . 1 . 1 101 101 LEU CB C 13 42.612 0.000 . 1 . . . . . 101 LEU CB . 52014 1 643 . 1 . 1 101 101 LEU CG C 13 26.609 0.000 . 1 . . . . . 101 LEU CG . 52014 1 644 . 1 . 1 101 101 LEU CD1 C 13 22.796 0.000 . 1 . . . . . 101 LEU CD1 . 52014 1 645 . 1 . 1 101 101 LEU N N 15 119.817 0.000 . 1 . . . . . 101 LEU N . 52014 1 646 . 1 . 1 102 102 TRP HA H 1 3.812 0.000 . 1 . . . . . 102 TRP HA . 52014 1 647 . 1 . 1 102 102 TRP HB2 H 1 3.447 0.000 . 1 . . . . . 102 TRP HB2 . 52014 1 648 . 1 . 1 102 102 TRP CA C 13 63.690 0.000 . 1 . . . . . 102 TRP CA . 52014 1 649 . 1 . 1 102 102 TRP CB C 13 28.849 0.002 . 1 . . . . . 102 TRP CB . 52014 1 650 . 1 . 1 102 102 TRP N N 15 118.148 0.000 . 1 . . . . . 102 TRP N . 52014 1 651 . 1 . 1 103 103 PHE HA H 1 3.475 0.000 . 1 . . . . . 103 PHE HA . 52014 1 652 . 1 . 1 103 103 PHE HB2 H 1 3.367 0.000 . 2 . . . . . 103 PHE HB2 . 52014 1 653 . 1 . 1 103 103 PHE HB3 H 1 3.138 0.000 . 2 . . . . . 103 PHE HB3 . 52014 1 654 . 1 . 1 103 103 PHE CA C 13 62.800 0.000 . 1 . . . . . 103 PHE CA . 52014 1 655 . 1 . 1 103 103 PHE CB C 13 39.654 0.026 . 1 . . . . . 103 PHE CB . 52014 1 656 . 1 . 1 103 103 PHE N N 15 122.359 0.000 . 1 . . . . . 103 PHE N . 52014 1 657 . 1 . 1 104 104 HIS HA H 1 4.312 0.000 . 1 . . . . . 104 HIS HA . 52014 1 658 . 1 . 1 104 104 HIS CA C 13 61.453 0.000 . 1 . . . . . 104 HIS CA . 52014 1 659 . 1 . 1 104 104 HIS N N 15 118.055 0.000 . 1 . . . . . 104 HIS N . 52014 1 660 . 1 . 1 105 105 ILE HA H 1 3.245 0.000 . 1 . . . . . 105 ILE HA . 52014 1 661 . 1 . 1 105 105 ILE HB H 1 1.756 0.000 . 1 . . . . . 105 ILE HB . 52014 1 662 . 1 . 1 105 105 ILE HG12 H 1 1.561 0.000 . 1 . . . . . 105 ILE HG12 . 52014 1 663 . 1 . 1 105 105 ILE HG21 H 1 0.760 0.000 . 1 . . . . . 105 ILE HG21 . 52014 1 664 . 1 . 1 105 105 ILE HG22 H 1 0.760 0.000 . 1 . . . . . 105 ILE HG22 . 52014 1 665 . 1 . 1 105 105 ILE HG23 H 1 0.760 0.000 . 1 . . . . . 105 ILE HG23 . 52014 1 666 . 1 . 1 105 105 ILE CA C 13 65.826 0.000 . 1 . . . . . 105 ILE CA . 52014 1 667 . 1 . 1 105 105 ILE CB C 13 37.897 0.000 . 1 . . . . . 105 ILE CB . 52014 1 668 . 1 . 1 105 105 ILE CG1 C 13 30.198 0.000 . 1 . . . . . 105 ILE CG1 . 52014 1 669 . 1 . 1 105 105 ILE CG2 C 13 17.161 0.000 . 1 . . . . . 105 ILE CG2 . 52014 1 670 . 1 . 1 105 105 ILE CD1 C 13 14.833 0.000 . 1 . . . . . 105 ILE CD1 . 52014 1 671 . 1 . 1 105 105 ILE N N 15 118.241 0.000 . 1 . . . . . 105 ILE N . 52014 1 672 . 1 . 1 106 106 SER HA H 1 4.065 0.015 . 1 . . . . . 106 SER HA . 52014 1 673 . 1 . 1 106 106 SER HB2 H 1 3.122 0.000 . 2 . . . . . 106 SER HB2 . 52014 1 674 . 1 . 1 106 106 SER HB3 H 1 4.040 0.012 . 2 . . . . . 106 SER HB3 . 52014 1 675 . 1 . 1 106 106 SER CA C 13 63.132 0.019 . 1 . . . . . 106 SER CA . 52014 1 676 . 1 . 1 106 106 SER CB C 13 61.674 0.039 . 1 . . . . . 106 SER CB . 52014 1 677 . 1 . 1 107 107 CYS HA H 1 3.350 0.000 . 1 . . . . . 107 CYS HA . 52014 1 678 . 1 . 1 107 107 CYS CA C 13 64.530 0.000 . 1 . . . . . 107 CYS CA . 52014 1 679 . 1 . 1 107 107 CYS N N 15 121.698 0.000 . 1 . . . . . 107 CYS N . 52014 1 680 . 1 . 1 108 108 LEU HA H 1 3.636 0.003 . 1 . . . . . 108 LEU HA . 52014 1 681 . 1 . 1 108 108 LEU HB2 H 1 1.371 0.000 . 2 . . . . . 108 LEU HB2 . 52014 1 682 . 1 . 1 108 108 LEU HB3 H 1 0.621 0.000 . 2 . . . . . 108 LEU HB3 . 52014 1 683 . 1 . 1 108 108 LEU CA C 13 57.401 0.020 . 1 . . . . . 108 LEU CA . 52014 1 684 . 1 . 1 108 108 LEU CB C 13 42.357 0.005 . 1 . . . . . 108 LEU CB . 52014 1 685 . 1 . 1 108 108 LEU CG C 13 25.764 0.000 . 1 . . . . . 108 LEU CG . 52014 1 686 . 1 . 1 108 108 LEU N N 15 118.468 0.000 . 1 . . . . . 108 LEU N . 52014 1 687 . 1 . 1 109 109 THR HA H 1 3.714 0.000 . 1 . . . . . 109 THR HA . 52014 1 688 . 1 . 1 109 109 THR HB H 1 3.420 0.000 . 1 . . . . . 109 THR HB . 52014 1 689 . 1 . 1 109 109 THR CA C 13 65.569 0.000 . 1 . . . . . 109 THR CA . 52014 1 690 . 1 . 1 109 109 THR CB C 13 69.783 0.000 . 1 . . . . . 109 THR CB . 52014 1 691 . 1 . 1 109 109 THR CG2 C 13 20.882 0.000 . 1 . . . . . 109 THR CG2 . 52014 1 692 . 1 . 1 109 109 THR N N 15 112.897 0.000 . 1 . . . . . 109 THR N . 52014 1 693 . 1 . 1 110 110 PHE HA H 1 4.536 0.000 . 1 . . . . . 110 PHE HA . 52014 1 694 . 1 . 1 110 110 PHE HB2 H 1 3.244 0.000 . 1 . . . . . 110 PHE HB2 . 52014 1 695 . 1 . 1 110 110 PHE CA C 13 58.954 0.000 . 1 . . . . . 110 PHE CA . 52014 1 696 . 1 . 1 110 110 PHE CB C 13 40.908 0.000 . 1 . . . . . 110 PHE CB . 52014 1 697 . 1 . 1 110 110 PHE N N 15 115.152 0.000 . 1 . . . . . 110 PHE N . 52014 1 698 . 1 . 1 111 111 GLY HA2 H 1 3.673 0.000 . 2 . . . . . 111 GLY HA2 . 52014 1 699 . 1 . 1 111 111 GLY HA3 H 1 4.731 0.000 . 2 . . . . . 111 GLY HA3 . 52014 1 700 . 1 . 1 111 111 GLY CA C 13 44.380 0.032 . 1 . . . . . 111 GLY CA . 52014 1 701 . 1 . 1 112 112 ARG HA H 1 4.132 0.000 . 1 . . . . . 112 ARG HA . 52014 1 702 . 1 . 1 112 112 ARG HB2 H 1 2.055 0.000 . 1 . . . . . 112 ARG HB2 . 52014 1 703 . 1 . 1 112 112 ARG HG2 H 1 1.711 0.000 . 1 . . . . . 112 ARG HG2 . 52014 1 704 . 1 . 1 112 112 ARG HD2 H 1 3.325 0.000 . 1 . . . . . 112 ARG HD2 . 52014 1 705 . 1 . 1 112 112 ARG HD3 H 1 3.325 0.000 . 1 . . . . . 112 ARG HD3 . 52014 1 706 . 1 . 1 112 112 ARG CA C 13 59.902 0.000 . 1 . . . . . 112 ARG CA . 52014 1 707 . 1 . 1 112 112 ARG CB C 13 31.532 0.000 . 1 . . . . . 112 ARG CB . 52014 1 708 . 1 . 1 112 112 ARG CG C 13 26.200 0.000 . 1 . . . . . 112 ARG CG . 52014 1 709 . 1 . 1 112 112 ARG CD C 13 44.217 0.000 . 1 . . . . . 112 ARG CD . 52014 1 710 . 1 . 1 112 112 ARG N N 15 125.914 0.000 . 1 . . . . . 112 ARG N . 52014 1 711 . 1 . 1 113 113 GLU HA H 1 3.748 0.000 . 1 . . . . . 113 GLU HA . 52014 1 712 . 1 . 1 113 113 GLU HB2 H 1 2.136 0.000 . 2 . . . . . 113 GLU HB2 . 52014 1 713 . 1 . 1 113 113 GLU HB3 H 1 2.145 0.000 . 2 . . . . . 113 GLU HB3 . 52014 1 714 . 1 . 1 113 113 GLU HG2 H 1 2.391 0.000 . 2 . . . . . 113 GLU HG2 . 52014 1 715 . 1 . 1 113 113 GLU HG3 H 1 2.407 0.000 . 2 . . . . . 113 GLU HG3 . 52014 1 716 . 1 . 1 113 113 GLU CA C 13 60.915 0.000 . 1 . . . . . 113 GLU CA . 52014 1 717 . 1 . 1 113 113 GLU CB C 13 28.527 0.000 . 1 . . . . . 113 GLU CB . 52014 1 718 . 1 . 1 113 113 GLU CG C 13 37.537 0.000 . 1 . . . . . 113 GLU CG . 52014 1 719 . 1 . 1 113 113 GLU N N 15 116.951 0.000 . 1 . . . . . 113 GLU N . 52014 1 720 . 1 . 1 114 114 THR HA H 1 3.927 0.004 . 1 . . . . . 114 THR HA . 52014 1 721 . 1 . 1 114 114 THR HB H 1 4.132 0.003 . 1 . . . . . 114 THR HB . 52014 1 722 . 1 . 1 114 114 THR HG21 H 1 1.191 0.000 . 1 . . . . . 114 THR HG21 . 52014 1 723 . 1 . 1 114 114 THR HG22 H 1 1.191 0.000 . 1 . . . . . 114 THR HG22 . 52014 1 724 . 1 . 1 114 114 THR HG23 H 1 1.191 0.000 . 1 . . . . . 114 THR HG23 . 52014 1 725 . 1 . 1 114 114 THR CA C 13 66.087 0.018 . 1 . . . . . 114 THR CA . 52014 1 726 . 1 . 1 114 114 THR CB C 13 68.630 0.013 . 1 . . . . . 114 THR CB . 52014 1 727 . 1 . 1 114 114 THR CG2 C 13 22.633 0.000 . 1 . . . . . 114 THR CG2 . 52014 1 728 . 1 . 1 114 114 THR N N 15 116.382 0.000 . 1 . . . . . 114 THR N . 52014 1 729 . 1 . 1 115 115 VAL HA H 1 3.502 0.000 . 1 . . . . . 115 VAL HA . 52014 1 730 . 1 . 1 115 115 VAL HB H 1 2.201 0.000 . 1 . . . . . 115 VAL HB . 52014 1 731 . 1 . 1 115 115 VAL HG11 H 1 0.552 0.000 . 2 . . . . . 115 VAL HG11 . 52014 1 732 . 1 . 1 115 115 VAL HG12 H 1 0.552 0.000 . 2 . . . . . 115 VAL HG12 . 52014 1 733 . 1 . 1 115 115 VAL HG13 H 1 0.552 0.000 . 2 . . . . . 115 VAL HG13 . 52014 1 734 . 1 . 1 115 115 VAL HG21 H 1 0.734 0.000 . 2 . . . . . 115 VAL HG21 . 52014 1 735 . 1 . 1 115 115 VAL HG22 H 1 0.734 0.000 . 2 . . . . . 115 VAL HG22 . 52014 1 736 . 1 . 1 115 115 VAL HG23 H 1 0.734 0.000 . 2 . . . . . 115 VAL HG23 . 52014 1 737 . 1 . 1 115 115 VAL CA C 13 67.417 0.000 . 1 . . . . . 115 VAL CA . 52014 1 738 . 1 . 1 115 115 VAL CB C 13 30.983 0.000 . 1 . . . . . 115 VAL CB . 52014 1 739 . 1 . 1 115 115 VAL CG1 C 13 24.185 0.000 . 2 . . . . . 115 VAL CG1 . 52014 1 740 . 1 . 1 115 115 VAL CG2 C 13 21.434 0.000 . 2 . . . . . 115 VAL CG2 . 52014 1 741 . 1 . 1 115 115 VAL N N 15 122.859 0.000 . 1 . . . . . 115 VAL N . 52014 1 742 . 1 . 1 116 116 ILE HA H 1 3.747 0.000 . 1 . . . . . 116 ILE HA . 52014 1 743 . 1 . 1 116 116 ILE HB H 1 2.139 0.000 . 1 . . . . . 116 ILE HB . 52014 1 744 . 1 . 1 116 116 ILE HG12 H 1 1.427 0.000 . 1 . . . . . 116 ILE HG12 . 52014 1 745 . 1 . 1 116 116 ILE HG21 H 1 0.940 0.000 . 1 . . . . . 116 ILE HG21 . 52014 1 746 . 1 . 1 116 116 ILE HG22 H 1 0.940 0.000 . 1 . . . . . 116 ILE HG22 . 52014 1 747 . 1 . 1 116 116 ILE HG23 H 1 0.940 0.000 . 1 . . . . . 116 ILE HG23 . 52014 1 748 . 1 . 1 116 116 ILE CA C 13 65.700 0.000 . 1 . . . . . 116 ILE CA . 52014 1 749 . 1 . 1 116 116 ILE CB C 13 36.673 0.000 . 1 . . . . . 116 ILE CB . 52014 1 750 . 1 . 1 116 116 ILE CG1 C 13 29.602 0.000 . 1 . . . . . 116 ILE CG1 . 52014 1 751 . 1 . 1 116 116 ILE CG2 C 13 17.404 0.000 . 1 . . . . . 116 ILE CG2 . 52014 1 752 . 1 . 1 116 116 ILE N N 15 120.355 0.000 . 1 . . . . . 116 ILE N . 52014 1 753 . 1 . 1 118 118 TYR HA H 1 4.087 0.000 . 1 . . . . . 118 TYR HA . 52014 1 754 . 1 . 1 118 118 TYR HB2 H 1 2.747 0.000 . 2 . . . . . 118 TYR HB2 . 52014 1 755 . 1 . 1 118 118 TYR HB3 H 1 2.291 0.000 . 2 . . . . . 118 TYR HB3 . 52014 1 756 . 1 . 1 118 118 TYR CA C 13 61.982 0.000 . 1 . . . . . 118 TYR CA . 52014 1 757 . 1 . 1 118 118 TYR CB C 13 37.821 0.027 . 1 . . . . . 118 TYR CB . 52014 1 758 . 1 . 1 118 118 TYR N N 15 121.788 0.000 . 1 . . . . . 118 TYR N . 52014 1 759 . 1 . 1 122 122 PHE HA H 1 3.595 0.000 . 1 . . . . . 122 PHE HA . 52014 1 760 . 1 . 1 122 122 PHE HB2 H 1 3.072 0.000 . 1 . . . . . 122 PHE HB2 . 52014 1 761 . 1 . 1 122 122 PHE CA C 13 61.921 0.000 . 1 . . . . . 122 PHE CA . 52014 1 762 . 1 . 1 122 122 PHE CB C 13 38.695 0.000 . 1 . . . . . 122 PHE CB . 52014 1 763 . 1 . 1 122 122 PHE N N 15 126.652 0.000 . 1 . . . . . 122 PHE N . 52014 1 764 . 1 . 1 123 123 GLY HA2 H 1 3.427 0.000 . 2 . . . . . 123 GLY HA2 . 52014 1 765 . 1 . 1 123 123 GLY HA3 H 1 3.592 0.000 . 2 . . . . . 123 GLY HA3 . 52014 1 766 . 1 . 1 123 123 GLY CA C 13 47.150 0.016 . 1 . . . . . 123 GLY CA . 52014 1 767 . 1 . 1 124 124 VAL HA H 1 3.478 0.000 . 1 . . . . . 124 VAL HA . 52014 1 768 . 1 . 1 124 124 VAL CA C 13 66.690 0.000 . 1 . . . . . 124 VAL CA . 52014 1 769 . 1 . 1 124 124 VAL CB C 13 31.942 0.000 . 1 . . . . . 124 VAL CB . 52014 1 770 . 1 . 1 124 124 VAL CG1 C 13 22.745 0.000 . 1 . . . . . 124 VAL CG1 . 52014 1 771 . 1 . 1 124 124 VAL N N 15 118.928 0.000 . 1 . . . . . 124 VAL N . 52014 1 772 . 1 . 1 125 125 TRP HA H 1 3.812 0.000 . 1 . . . . . 125 TRP HA . 52014 1 773 . 1 . 1 125 125 TRP HB2 H 1 3.137 0.000 . 1 . . . . . 125 TRP HB2 . 52014 1 774 . 1 . 1 125 125 TRP CA C 13 63.690 0.000 . 1 . . . . . 125 TRP CA . 52014 1 775 . 1 . 1 125 125 TRP CB C 13 28.709 0.001 . 1 . . . . . 125 TRP CB . 52014 1 776 . 1 . 1 125 125 TRP N N 15 121.702 0.000 . 1 . . . . . 125 TRP N . 52014 1 777 . 1 . 1 127 127 ARG HA H 1 3.948 0.000 . 1 . . . . . 127 ARG HA . 52014 1 778 . 1 . 1 127 127 ARG CA C 13 56.335 0.000 . 1 . . . . . 127 ARG CA . 52014 1 779 . 1 . 1 127 127 ARG N N 15 118.791 0.000 . 1 . . . . . 127 ARG N . 52014 1 780 . 1 . 1 128 128 THR HA H 1 4.173 0.000 . 1 . . . . . 128 THR HA . 52014 1 781 . 1 . 1 128 128 THR HB H 1 3.938 0.000 . 1 . . . . . 128 THR HB . 52014 1 782 . 1 . 1 128 128 THR CA C 13 61.098 0.000 . 1 . . . . . 128 THR CA . 52014 1 783 . 1 . 1 128 128 THR CB C 13 69.952 0.000 . 1 . . . . . 128 THR CB . 52014 1 784 . 1 . 1 128 128 THR N N 15 120.882 0.000 . 1 . . . . . 128 THR N . 52014 1 785 . 1 . 1 129 129 PRO HA H 1 4.467 0.000 . 1 . . . . . 129 PRO HA . 52014 1 786 . 1 . 1 129 129 PRO HB2 H 1 2.400 0.000 . 1 . . . . . 129 PRO HB2 . 52014 1 787 . 1 . 1 129 129 PRO HG2 H 1 2.396 0.000 . 1 . . . . . 129 PRO HG2 . 52014 1 788 . 1 . 1 129 129 PRO HD2 H 1 3.643 0.000 . 2 . . . . . 129 PRO HD2 . 52014 1 789 . 1 . 1 129 129 PRO HD3 H 1 3.250 0.000 . 2 . . . . . 129 PRO HD3 . 52014 1 790 . 1 . 1 129 129 PRO CA C 13 61.818 0.000 . 1 . . . . . 129 PRO CA . 52014 1 791 . 1 . 1 129 129 PRO CB C 13 31.729 0.000 . 1 . . . . . 129 PRO CB . 52014 1 792 . 1 . 1 129 129 PRO CG C 13 28.164 0.000 . 1 . . . . . 129 PRO CG . 52014 1 793 . 1 . 1 129 129 PRO CD C 13 52.203 0.018 . 1 . . . . . 129 PRO CD . 52014 1 794 . 1 . 1 130 130 PRO HA H 1 4.596 0.000 . 1 . . . . . 130 PRO HA . 52014 1 795 . 1 . 1 130 130 PRO HB2 H 1 1.797 0.000 . 1 . . . . . 130 PRO HB2 . 52014 1 796 . 1 . 1 130 130 PRO HG2 H 1 1.798 0.000 . 1 . . . . . 130 PRO HG2 . 52014 1 797 . 1 . 1 130 130 PRO HD2 H 1 3.689 0.000 . 2 . . . . . 130 PRO HD2 . 52014 1 798 . 1 . 1 130 130 PRO HD3 H 1 3.681 0.000 . 2 . . . . . 130 PRO HD3 . 52014 1 799 . 1 . 1 130 130 PRO CA C 13 65.126 0.000 . 1 . . . . . 130 PRO CA . 52014 1 800 . 1 . 1 130 130 PRO CB C 13 32.042 0.000 . 1 . . . . . 130 PRO CB . 52014 1 801 . 1 . 1 130 130 PRO CG C 13 27.366 0.000 . 1 . . . . . 130 PRO CG . 52014 1 802 . 1 . 1 130 130 PRO CD C 13 50.644 0.000 . 1 . . . . . 130 PRO CD . 52014 1 803 . 1 . 1 130 130 PRO N N 15 133.655 0.000 . 1 . . . . . 130 PRO N . 52014 1 804 . 1 . 1 131 131 ALA HA H 1 3.937 0.000 . 1 . . . . . 131 ALA HA . 52014 1 805 . 1 . 1 131 131 ALA HB1 H 1 0.688 0.000 . 1 . . . . . 131 ALA HB1 . 52014 1 806 . 1 . 1 131 131 ALA HB2 H 1 0.688 0.000 . 1 . . . . . 131 ALA HB2 . 52014 1 807 . 1 . 1 131 131 ALA HB3 H 1 0.688 0.000 . 1 . . . . . 131 ALA HB3 . 52014 1 808 . 1 . 1 131 131 ALA CA C 13 54.185 0.000 . 1 . . . . . 131 ALA CA . 52014 1 809 . 1 . 1 131 131 ALA CB C 13 18.092 0.000 . 1 . . . . . 131 ALA CB . 52014 1 810 . 1 . 1 131 131 ALA N N 15 117.445 0.000 . 1 . . . . . 131 ALA N . 52014 1 811 . 1 . 1 132 132 TYR HA H 1 4.608 0.000 . 1 . . . . . 132 TYR HA . 52014 1 812 . 1 . 1 132 132 TYR HB2 H 1 3.137 0.000 . 1 . . . . . 132 TYR HB2 . 52014 1 813 . 1 . 1 132 132 TYR CA C 13 55.673 0.000 . 1 . . . . . 132 TYR CA . 52014 1 814 . 1 . 1 132 132 TYR CB C 13 39.209 0.000 . 1 . . . . . 132 TYR CB . 52014 1 815 . 1 . 1 132 132 TYR N N 15 112.867 0.000 . 1 . . . . . 132 TYR N . 52014 1 816 . 1 . 1 135 135 PRO HA H 1 4.457 0.000 . 1 . . . . . 135 PRO HA . 52014 1 817 . 1 . 1 135 135 PRO HB2 H 1 1.634 0.000 . 2 . . . . . 135 PRO HB2 . 52014 1 818 . 1 . 1 135 135 PRO HB3 H 1 1.637 0.000 . 2 . . . . . 135 PRO HB3 . 52014 1 819 . 1 . 1 135 135 PRO CA C 13 64.786 0.000 . 1 . . . . . 135 PRO CA . 52014 1 820 . 1 . 1 135 135 PRO CB C 13 32.172 0.000 . 1 . . . . . 135 PRO CB . 52014 1 821 . 1 . 1 135 135 PRO N N 15 133.451 0.000 . 1 . . . . . 135 PRO N . 52014 1 822 . 1 . 1 136 136 ASN HA H 1 4.831 0.000 . 1 . . . . . 136 ASN HA . 52014 1 823 . 1 . 1 136 136 ASN HB2 H 1 2.513 0.000 . 2 . . . . . 136 ASN HB2 . 52014 1 824 . 1 . 1 136 136 ASN HB3 H 1 2.560 0.000 . 2 . . . . . 136 ASN HB3 . 52014 1 825 . 1 . 1 136 136 ASN CA C 13 51.742 0.000 . 1 . . . . . 136 ASN CA . 52014 1 826 . 1 . 1 136 136 ASN CB C 13 39.232 0.000 . 1 . . . . . 136 ASN CB . 52014 1 827 . 1 . 1 136 136 ASN N N 15 114.815 0.000 . 1 . . . . . 136 ASN N . 52014 1 828 . 1 . 1 137 137 ALA HA H 1 1.969 0.000 . 1 . . . . . 137 ALA HA . 52014 1 829 . 1 . 1 137 137 ALA HB1 H 1 0.514 0.000 . 1 . . . . . 137 ALA HB1 . 52014 1 830 . 1 . 1 137 137 ALA HB2 H 1 0.514 0.000 . 1 . . . . . 137 ALA HB2 . 52014 1 831 . 1 . 1 137 137 ALA HB3 H 1 0.514 0.000 . 1 . . . . . 137 ALA HB3 . 52014 1 832 . 1 . 1 137 137 ALA CA C 13 49.536 0.000 . 1 . . . . . 137 ALA CA . 52014 1 833 . 1 . 1 137 137 ALA CB C 13 17.027 0.000 . 1 . . . . . 137 ALA CB . 52014 1 834 . 1 . 1 138 138 PRO HA H 1 4.312 0.000 . 1 . . . . . 138 PRO HA . 52014 1 835 . 1 . 1 138 138 PRO HB2 H 1 2.242 0.000 . 1 . . . . . 138 PRO HB2 . 52014 1 836 . 1 . 1 138 138 PRO HG2 H 1 1.425 0.000 . 1 . . . . . 138 PRO HG2 . 52014 1 837 . 1 . 1 138 138 PRO CA C 13 62.707 0.000 . 1 . . . . . 138 PRO CA . 52014 1 838 . 1 . 1 138 138 PRO CB C 13 31.449 0.000 . 1 . . . . . 138 PRO CB . 52014 1 839 . 1 . 1 138 138 PRO CG C 13 27.106 0.000 . 1 . . . . . 138 PRO CG . 52014 1 840 . 1 . 1 138 138 PRO CD C 13 48.854 0.000 . 1 . . . . . 138 PRO CD . 52014 1 841 . 1 . 1 138 138 PRO N N 15 133.299 0.000 . 1 . . . . . 138 PRO N . 52014 1 842 . 1 . 1 139 139 ILE HA H 1 4.361 0.000 . 1 . . . . . 139 ILE HA . 52014 1 843 . 1 . 1 139 139 ILE CA C 13 59.665 0.000 . 1 . . . . . 139 ILE CA . 52014 1 844 . 1 . 1 139 139 ILE N N 15 122.968 0.000 . 1 . . . . . 139 ILE N . 52014 1 stop_ save_