data_27317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27317 _Entry.Title ; Solid-state NMR assignment of HBV core protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-24 _Entry.Accession_date 2017-11-24 _Entry.Last_release_date 2017-11-27 _Entry.Original_release_date 2017-11-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 [13C-15N] NMR resonance assignment of Hepatitis B Virus core protein Cp149 in the capsid form.' _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 Lauriane Lecoq . . . . 27317 2 Shishan Wang . . . . 27317 3 Thomas Wiegand . . . . 27317 4 Stephane Bressanelli . . . . 27317 5 Michael Nassal . . . . 27317 6 Anja Bockmann . . . . 27317 7 Beat Meier . H. . . 27317 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Molecular Microbiology and Structural Biochemistry' . 27317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 621 27317 '15N chemical shifts' 150 27317 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 . . 2018-05-18 2017-11-24 update BMRB 'update entry citation' 27317 1 . . 2018-03-07 2017-11-24 original author 'original release' 27317 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15969 'Solution NMR assignment on HBV core protein dimer' 27317 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27317 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29450824 _Citation.Full_citation . _Citation.Title ; Solid-state [13C-15N] NMR resonance assignment of Hepatitis B Virus core protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 205 _Citation.Page_last 214 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lauriane Lecoq . . . . 27317 1 2 Shishan Wang . . . . 27317 1 3 Thomas Wiegand . . . . 27317 1 4 Stephane Bressanelli . . . . 27317 1 5 Michael Nassal . . . . 27317 1 6 Beat Meier . H. . . 27317 1 7 Anja Bockmann . . . . 27317 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Assignments 27317 1 'Core protein' 27317 1 'Hepatitis B virus' 27317 1 Nucleocapsid 27317 1 'Solid-state NMR' 27317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27317 _Assembly.ID 1 _Assembly.Name Hepatitis_B_Virus_capsid _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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' 1 $Hepatitis_B_Virus_capsid A . yes native no no . 'Subunit of the assembly' '240 copies of Cp149 form the capsid.' 27317 1 2 'Cp149, 2' 1 $Hepatitis_B_Virus_capsid B . no native no no . 'Subunit of the assembly' . 27317 1 3 'Cp149, 3' 1 $Hepatitis_B_Virus_capsid C . no native no no . 'Subunit of the assembly' . 27317 1 4 'Cp149, 4' 1 $Hepatitis_B_Virus_capsid D . no native no no . 'Subunit of the assembly' . 27317 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' 27317 1 yes PDB 2g33 . . X-ray 3.96 . 'Cp149 capsid containing C48A C61A C107 mutations' 27317 1 yes PDB 2g34 . . X-ray 5.05 . 'Cp149 capsid containing C48A C61A C107 mutations in complex with HAP1' 27317 1 yes PDB 3j2v . . cryo-EM 3.5 . 'Cp149 capsid' 27317 1 yes PDB 4g93 . . X-ray 4.2 . 'Cp149 capsid containing C48A C61A C107 mutations in complex with AT-130' 27317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hepatitis_B_Virus_capsid _Entity.Sf_category entity _Entity.Sf_framecode Hepatitis_B_Virus_capsid _Entity.Entry_ID 27317 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cp149 _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 free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 UNP P03146 . 'Capsid protein' . . . . . . . . . . . . . . 27317 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'identical protein binding' 27317 1 pathogenicity 27317 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27317 1 2 2 ASP . 27317 1 3 3 ILE . 27317 1 4 4 ASP . 27317 1 5 5 PRO . 27317 1 6 6 TYR . 27317 1 7 7 LYS . 27317 1 8 8 GLU . 27317 1 9 9 PHE . 27317 1 10 10 GLY . 27317 1 11 11 ALA . 27317 1 12 12 THR . 27317 1 13 13 VAL . 27317 1 14 14 GLU . 27317 1 15 15 LEU . 27317 1 16 16 LEU . 27317 1 17 17 SER . 27317 1 18 18 PHE . 27317 1 19 19 LEU . 27317 1 20 20 PRO . 27317 1 21 21 SER . 27317 1 22 22 ASP . 27317 1 23 23 PHE . 27317 1 24 24 PHE . 27317 1 25 25 PRO . 27317 1 26 26 SER . 27317 1 27 27 VAL . 27317 1 28 28 ARG . 27317 1 29 29 ASP . 27317 1 30 30 LEU . 27317 1 31 31 LEU . 27317 1 32 32 ASP . 27317 1 33 33 THR . 27317 1 34 34 ALA . 27317 1 35 35 SER . 27317 1 36 36 ALA . 27317 1 37 37 LEU . 27317 1 38 38 TYR . 27317 1 39 39 ARG . 27317 1 40 40 GLU . 27317 1 41 41 ALA . 27317 1 42 42 LEU . 27317 1 43 43 GLU . 27317 1 44 44 SER . 27317 1 45 45 PRO . 27317 1 46 46 GLU . 27317 1 47 47 HIS . 27317 1 48 48 CYS . 27317 1 49 49 SER . 27317 1 50 50 PRO . 27317 1 51 51 HIS . 27317 1 52 52 HIS . 27317 1 53 53 THR . 27317 1 54 54 ALA . 27317 1 55 55 LEU . 27317 1 56 56 ARG . 27317 1 57 57 GLN . 27317 1 58 58 ALA . 27317 1 59 59 ILE . 27317 1 60 60 LEU . 27317 1 61 61 CYS . 27317 1 62 62 TRP . 27317 1 63 63 GLY . 27317 1 64 64 GLU . 27317 1 65 65 LEU . 27317 1 66 66 MET . 27317 1 67 67 THR . 27317 1 68 68 LEU . 27317 1 69 69 ALA . 27317 1 70 70 THR . 27317 1 71 71 TRP . 27317 1 72 72 VAL . 27317 1 73 73 GLY . 27317 1 74 74 VAL . 27317 1 75 75 ASN . 27317 1 76 76 LEU . 27317 1 77 77 GLU . 27317 1 78 78 ASP . 27317 1 79 79 PRO . 27317 1 80 80 ALA . 27317 1 81 81 SER . 27317 1 82 82 ARG . 27317 1 83 83 ASP . 27317 1 84 84 LEU . 27317 1 85 85 VAL . 27317 1 86 86 VAL . 27317 1 87 87 SER . 27317 1 88 88 TYR . 27317 1 89 89 VAL . 27317 1 90 90 ASN . 27317 1 91 91 THR . 27317 1 92 92 ASN . 27317 1 93 93 MET . 27317 1 94 94 GLY . 27317 1 95 95 LEU . 27317 1 96 96 LYS . 27317 1 97 97 PHE . 27317 1 98 98 ARG . 27317 1 99 99 GLN . 27317 1 100 100 LEU . 27317 1 101 101 LEU . 27317 1 102 102 TRP . 27317 1 103 103 PHE . 27317 1 104 104 HIS . 27317 1 105 105 ILE . 27317 1 106 106 SER . 27317 1 107 107 CYS . 27317 1 108 108 LEU . 27317 1 109 109 THR . 27317 1 110 110 PHE . 27317 1 111 111 GLY . 27317 1 112 112 ARG . 27317 1 113 113 GLU . 27317 1 114 114 THR . 27317 1 115 115 VAL . 27317 1 116 116 ILE . 27317 1 117 117 GLU . 27317 1 118 118 TYR . 27317 1 119 119 LEU . 27317 1 120 120 VAL . 27317 1 121 121 SER . 27317 1 122 122 PHE . 27317 1 123 123 GLY . 27317 1 124 124 VAL . 27317 1 125 125 TRP . 27317 1 126 126 ILE . 27317 1 127 127 ARG . 27317 1 128 128 THR . 27317 1 129 129 PRO . 27317 1 130 130 PRO . 27317 1 131 131 ALA . 27317 1 132 132 TYR . 27317 1 133 133 ARG . 27317 1 134 134 PRO . 27317 1 135 135 PRO . 27317 1 136 136 ASN . 27317 1 137 137 ALA . 27317 1 138 138 PRO . 27317 1 139 139 ILE . 27317 1 140 . LEU . 27317 1 141 . SER . 27317 1 142 . THR . 27317 1 143 . LEU . 27317 1 144 . PRO . 27317 1 145 . GLU . 27317 1 146 . THR . 27317 1 147 . THR . 27317 1 148 . VAL . 27317 1 149 . VAL . 27317 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 27317 1 . ASP 2 2 27317 1 . ILE 3 3 27317 1 . ASP 4 4 27317 1 . PRO 5 5 27317 1 . TYR 6 6 27317 1 . LYS 7 7 27317 1 . GLU 8 8 27317 1 . PHE 9 9 27317 1 . GLY 10 10 27317 1 . ALA 11 11 27317 1 . THR 12 12 27317 1 . VAL 13 13 27317 1 . GLU 14 14 27317 1 . LEU 15 15 27317 1 . LEU 16 16 27317 1 . SER 17 17 27317 1 . PHE 18 18 27317 1 . LEU 19 19 27317 1 . PRO 20 20 27317 1 . SER 21 21 27317 1 . ASP 22 22 27317 1 . PHE 23 23 27317 1 . PHE 24 24 27317 1 . PRO 25 25 27317 1 . SER 26 26 27317 1 . VAL 27 27 27317 1 . ARG 28 28 27317 1 . ASP 29 29 27317 1 . LEU 30 30 27317 1 . LEU 31 31 27317 1 . ASP 32 32 27317 1 . THR 33 33 27317 1 . ALA 34 34 27317 1 . SER 35 35 27317 1 . ALA 36 36 27317 1 . LEU 37 37 27317 1 . TYR 38 38 27317 1 . ARG 39 39 27317 1 . GLU 40 40 27317 1 . ALA 41 41 27317 1 . LEU 42 42 27317 1 . GLU 43 43 27317 1 . SER 44 44 27317 1 . PRO 45 45 27317 1 . GLU 46 46 27317 1 . HIS 47 47 27317 1 . CYS 48 48 27317 1 . SER 49 49 27317 1 . PRO 50 50 27317 1 . HIS 51 51 27317 1 . HIS 52 52 27317 1 . THR 53 53 27317 1 . ALA 54 54 27317 1 . LEU 55 55 27317 1 . ARG 56 56 27317 1 . GLN 57 57 27317 1 . ALA 58 58 27317 1 . ILE 59 59 27317 1 . LEU 60 60 27317 1 . CYS 61 61 27317 1 . TRP 62 62 27317 1 . GLY 63 63 27317 1 . GLU 64 64 27317 1 . LEU 65 65 27317 1 . MET 66 66 27317 1 . THR 67 67 27317 1 . LEU 68 68 27317 1 . ALA 69 69 27317 1 . THR 70 70 27317 1 . TRP 71 71 27317 1 . VAL 72 72 27317 1 . GLY 73 73 27317 1 . VAL 74 74 27317 1 . ASN 75 75 27317 1 . LEU 76 76 27317 1 . GLU 77 77 27317 1 . ASP 78 78 27317 1 . PRO 79 79 27317 1 . ALA 80 80 27317 1 . SER 81 81 27317 1 . ARG 82 82 27317 1 . ASP 83 83 27317 1 . LEU 84 84 27317 1 . VAL 85 85 27317 1 . VAL 86 86 27317 1 . SER 87 87 27317 1 . TYR 88 88 27317 1 . VAL 89 89 27317 1 . ASN 90 90 27317 1 . THR 91 91 27317 1 . ASN 92 92 27317 1 . MET 93 93 27317 1 . GLY 94 94 27317 1 . LEU 95 95 27317 1 . LYS 96 96 27317 1 . PHE 97 97 27317 1 . ARG 98 98 27317 1 . GLN 99 99 27317 1 . LEU 100 100 27317 1 . LEU 101 101 27317 1 . TRP 102 102 27317 1 . PHE 103 103 27317 1 . HIS 104 104 27317 1 . ILE 105 105 27317 1 . SER 106 106 27317 1 . CYS 107 107 27317 1 . LEU 108 108 27317 1 . THR 109 109 27317 1 . PHE 110 110 27317 1 . GLY 111 111 27317 1 . ARG 112 112 27317 1 . GLU 113 113 27317 1 . THR 114 114 27317 1 . VAL 115 115 27317 1 . ILE 116 116 27317 1 . GLU 117 117 27317 1 . TYR 118 118 27317 1 . LEU 119 119 27317 1 . VAL 120 120 27317 1 . SER 121 121 27317 1 . PHE 122 122 27317 1 . GLY 123 123 27317 1 . VAL 124 124 27317 1 . TRP 125 125 27317 1 . ILE 126 126 27317 1 . ARG 127 127 27317 1 . THR 128 128 27317 1 . PRO 129 129 27317 1 . PRO 130 130 27317 1 . ALA 131 131 27317 1 . TYR 132 132 27317 1 . ARG 133 133 27317 1 . PRO 134 134 27317 1 . PRO 135 135 27317 1 . ASN 136 136 27317 1 . ALA 137 137 27317 1 . PRO 138 138 27317 1 . ILE 139 139 27317 1 . LEU 140 140 27317 1 . SER 141 141 27317 1 . THR 142 142 27317 1 . LEU 143 143 27317 1 . PRO 144 144 27317 1 . GLU 145 145 27317 1 . THR 146 146 27317 1 . THR 147 147 27317 1 . VAL 148 148 27317 1 . VAL 149 149 27317 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27317 _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 $Hepatitis_B_Virus_capsid . 9606 virus . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27317 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27317 _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 $Hepatitis_B_Virus_capsid . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28a2 . . . 27317 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27317 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details 'protein sediment' _Sample.Aggregate_sample_number . _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' '[U-100% 13C; U-100% 15N]' . . 1 $Hepatitis_B_Virus_capsid . . 50 . . mg/mL . . . . 27317 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 27317 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Buffer contains 5% sucrose' 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 27317 1 pH 7.5 . pH 27317 1 pressure 1 . atm 27317 1 temperature 277 . K 27317 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27317 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27317 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27317 1 processing 27317 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27317 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27317 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27317 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27317 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 13C-13C DARR 20ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 2 '2D 13C-13C DARR 200ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 3 '2D NCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 4 '2D NCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 5 '3D NCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 6 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 7 '3D CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 8 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 9 '3D CCC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . 27317 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27317 _Chem_shift_reference.ID 1 _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 internal indirect 0.25144953 other . . . . 27317 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 other . . . . 27317 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27317 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 13C-13C DARR 20ms' . . . 27317 1 3 '2D NCA' . . . 27317 1 4 '2D NCO' . . . 27317 1 9 '3D CCC' . . . 27317 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 $TOPSPIN . . 27317 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 173.845 0.004 . 1 . . . . . 1 MET C . 27317 1 2 . 1 1 1 1 MET CA C 13 55.733 0.034 . 1 . . . . . 1 MET CA . 27317 1 3 . 1 1 1 1 MET CB C 13 35.475 0.076 . 1 . . . . . 1 MET CB . 27317 1 4 . 1 1 1 1 MET CG C 13 32.303 0.000 . 1 . . . . . 1 MET CG . 27317 1 5 . 1 1 1 1 MET CE C 13 17.354 0.000 . 1 . . . . . 1 MET CE . 27317 1 6 . 1 1 1 1 MET N N 15 117.593 0.000 . 1 . . . . . 1 MET N . 27317 1 7 . 1 1 2 2 ASP C C 13 173.618 0.008 . 1 . . . . . 2 ASP C . 27317 1 8 . 1 1 2 2 ASP CA C 13 53.051 0.022 . 1 . . . . . 2 ASP CA . 27317 1 9 . 1 1 2 2 ASP CB C 13 41.068 0.002 . 1 . . . . . 2 ASP CB . 27317 1 10 . 1 1 2 2 ASP CG C 13 180.796 0.003 . 1 . . . . . 2 ASP CG . 27317 1 11 . 1 1 2 2 ASP N N 15 127.512 0.020 . 1 . . . . . 2 ASP N . 27317 1 12 . 1 1 3 3 ILE C C 13 174.064 0.037 . 1 . . . . . 3 ILE C . 27317 1 13 . 1 1 3 3 ILE CA C 13 59.147 0.024 . 1 . . . . . 3 ILE CA . 27317 1 14 . 1 1 3 3 ILE CB C 13 39.762 0.022 . 1 . . . . . 3 ILE CB . 27317 1 15 . 1 1 3 3 ILE CG1 C 13 27.646 0.007 . 1 . . . . . 3 ILE CG1 . 27317 1 16 . 1 1 3 3 ILE CG2 C 13 16.943 0.005 . 1 . . . . . 3 ILE CG2 . 27317 1 17 . 1 1 3 3 ILE CD1 C 13 13.567 0.011 . 1 . . . . . 3 ILE CD1 . 27317 1 18 . 1 1 3 3 ILE N N 15 123.174 0.020 . 1 . . . . . 3 ILE N . 27317 1 19 . 1 1 4 4 ASP C C 13 176.133 0.036 . 1 . . . . . 4 ASP C . 27317 1 20 . 1 1 4 4 ASP CA C 13 49.803 0.026 . 1 . . . . . 4 ASP CA . 27317 1 21 . 1 1 4 4 ASP CB C 13 42.992 0.024 . 1 . . . . . 4 ASP CB . 27317 1 22 . 1 1 4 4 ASP CG C 13 178.122 0.011 . 1 . . . . . 4 ASP CG . 27317 1 23 . 1 1 4 4 ASP N N 15 130.985 0.039 . 1 . . . . . 4 ASP N . 27317 1 24 . 1 1 5 5 PRO C C 13 176.781 0.003 . 1 . . . . . 5 PRO C . 27317 1 25 . 1 1 5 5 PRO CA C 13 63.328 0.012 . 1 . . . . . 5 PRO CA . 27317 1 26 . 1 1 5 5 PRO CB C 13 30.835 0.037 . 1 . . . . . 5 PRO CB . 27317 1 27 . 1 1 5 5 PRO CG C 13 24.549 0.023 . 1 . . . . . 5 PRO CG . 27317 1 28 . 1 1 5 5 PRO CD C 13 49.909 0.034 . 1 . . . . . 5 PRO CD . 27317 1 29 . 1 1 5 5 PRO N N 15 134.743 0.013 . 1 . . . . . 5 PRO N . 27317 1 30 . 1 1 6 6 TYR C C 13 177.789 0.011 . 1 . . . . . 6 TYR C . 27317 1 31 . 1 1 6 6 TYR CA C 13 58.117 0.004 . 1 . . . . . 6 TYR CA . 27317 1 32 . 1 1 6 6 TYR CB C 13 37.621 0.007 . 1 . . . . . 6 TYR CB . 27317 1 33 . 1 1 6 6 TYR CD1 C 13 130.943 0.000 . 1 . . . . . 6 TYR CD1 . 27317 1 34 . 1 1 6 6 TYR CD2 C 13 130.943 0.000 . 1 . . . . . 6 TYR CD2 . 27317 1 35 . 1 1 6 6 TYR N N 15 116.752 0.000 . 1 . . . . . 6 TYR N . 27317 1 36 . 1 1 7 7 LYS C C 13 180.832 0.006 . 1 . . . . . 7 LYS C . 27317 1 37 . 1 1 7 7 LYS CA C 13 59.998 0.011 . 1 . . . . . 7 LYS CA . 27317 1 38 . 1 1 7 7 LYS CB C 13 33.006 0.019 . 1 . . . . . 7 LYS CB . 27317 1 39 . 1 1 7 7 LYS CG C 13 26.347 0.000 . 1 . . . . . 7 LYS CG . 27317 1 40 . 1 1 7 7 LYS CD C 13 28.397 0.000 . 1 . . . . . 7 LYS CD . 27317 1 41 . 1 1 7 7 LYS CE C 13 42.669 0.000 . 1 . . . . . 7 LYS CE . 27317 1 42 . 1 1 7 7 LYS N N 15 125.754 0.026 . 1 . . . . . 7 LYS N . 27317 1 43 . 1 1 8 8 GLU C C 13 174.147 0.000 . 1 . . . . . 8 GLU C . 27317 1 44 . 1 1 8 8 GLU CA C 13 57.117 0.036 . 1 . . . . . 8 GLU CA . 27317 1 45 . 1 1 8 8 GLU CB C 13 27.920 0.009 . 1 . . . . . 8 GLU CB . 27317 1 46 . 1 1 8 8 GLU CG C 13 37.609 0.002 . 1 . . . . . 8 GLU CG . 27317 1 47 . 1 1 8 8 GLU CD C 13 183.664 0.001 . 1 . . . . . 8 GLU CD . 27317 1 48 . 1 1 8 8 GLU N N 15 117.367 0.001 . 1 . . . . . 8 GLU N . 27317 1 49 . 1 1 9 9 PHE C C 13 174.758 0.020 . 1 . . . . . 9 PHE C . 27317 1 50 . 1 1 9 9 PHE CA C 13 57.673 0.009 . 1 . . . . . 9 PHE CA . 27317 1 51 . 1 1 9 9 PHE CB C 13 40.690 0.009 . 1 . . . . . 9 PHE CB . 27317 1 52 . 1 1 9 9 PHE CG C 13 140.315 0.000 . 1 . . . . . 9 PHE CG . 27317 1 53 . 1 1 9 9 PHE CD1 C 13 131.038 0.000 . 1 . . . . . 9 PHE CD1 . 27317 1 54 . 1 1 9 9 PHE CD2 C 13 131.038 0.000 . 1 . . . . . 9 PHE CD2 . 27317 1 55 . 1 1 9 9 PHE CE1 C 13 129.733 0.000 . 1 . . . . . 9 PHE CE1 . 27317 1 56 . 1 1 9 9 PHE CE2 C 13 129.733 0.000 . 1 . . . . . 9 PHE CE2 . 27317 1 57 . 1 1 9 9 PHE N N 15 116.175 0.022 . 1 . . . . . 9 PHE N . 27317 1 58 . 1 1 10 10 GLY C C 13 173.206 0.011 . 1 . . . . . 10 GLY C . 27317 1 59 . 1 1 10 10 GLY CA C 13 45.702 0.010 . 1 . . . . . 10 GLY CA . 27317 1 60 . 1 1 10 10 GLY N N 15 105.165 0.022 . 1 . . . . . 10 GLY N . 27317 1 61 . 1 1 11 11 ALA C C 13 172.941 0.045 . 1 . . . . . 11 ALA C . 27317 1 62 . 1 1 11 11 ALA CA C 13 48.794 0.047 . 1 . . . . . 11 ALA CA . 27317 1 63 . 1 1 11 11 ALA CB C 13 21.816 0.015 . 1 . . . . . 11 ALA CB . 27317 1 64 . 1 1 11 11 ALA N N 15 120.508 0.062 . 1 . . . . . 11 ALA N . 27317 1 65 . 1 1 12 12 THR C C 13 175.774 0.096 . 1 . . . . . 12 THR C . 27317 1 66 . 1 1 12 12 THR CA C 13 58.928 0.094 . 1 . . . . . 12 THR CA . 27317 1 67 . 1 1 12 12 THR CB C 13 74.635 0.003 . 1 . . . . . 12 THR CB . 27317 1 68 . 1 1 12 12 THR CG2 C 13 22.920 0.001 . 1 . . . . . 12 THR CG2 . 27317 1 69 . 1 1 12 12 THR N N 15 103.634 0.019 . 1 . . . . . 12 THR N . 27317 1 70 . 1 1 13 13 VAL C C 13 178.558 0.012 . 1 . . . . . 13 VAL C . 27317 1 71 . 1 1 13 13 VAL CA C 13 66.640 0.002 . 1 . . . . . 13 VAL CA . 27317 1 72 . 1 1 13 13 VAL CB C 13 32.113 0.003 . 1 . . . . . 13 VAL CB . 27317 1 73 . 1 1 13 13 VAL CG1 C 13 21.835 0.002 . 1 . . . . . 13 VAL CG1 . 27317 1 74 . 1 1 13 13 VAL N N 15 124.086 0.019 . 1 . . . . . 13 VAL N . 27317 1 75 . 1 1 14 14 GLU C C 13 178.514 0.003 . 1 . . . . . 14 GLU C . 27317 1 76 . 1 1 14 14 GLU CA C 13 60.182 0.003 . 1 . . . . . 14 GLU CA . 27317 1 77 . 1 1 14 14 GLU CB C 13 28.783 0.000 . 1 . . . . . 14 GLU CB . 27317 1 78 . 1 1 14 14 GLU N N 15 120.592 0.003 . 1 . . . . . 14 GLU N . 27317 1 79 . 1 1 15 15 LEU C C 13 178.129 0.001 . 1 . . . . . 15 LEU C . 27317 1 80 . 1 1 15 15 LEU CA C 13 56.863 0.028 . 1 . . . . . 15 LEU CA . 27317 1 81 . 1 1 15 15 LEU CB C 13 42.244 0.029 . 1 . . . . . 15 LEU CB . 27317 1 82 . 1 1 15 15 LEU CG C 13 25.622 0.000 . 1 . . . . . 15 LEU CG . 27317 1 83 . 1 1 15 15 LEU CD1 C 13 22.840 0.000 . 1 . . . . . 15 LEU CD1 . 27317 1 84 . 1 1 15 15 LEU N N 15 121.582 0.019 . 1 . . . . . 15 LEU N . 27317 1 85 . 1 1 16 16 LEU C C 13 179.864 0.028 . 1 . . . . . 16 LEU C . 27317 1 86 . 1 1 16 16 LEU CA C 13 55.556 0.037 . 1 . . . . . 16 LEU CA . 27317 1 87 . 1 1 16 16 LEU CB C 13 40.143 0.006 . 1 . . . . . 16 LEU CB . 27317 1 88 . 1 1 16 16 LEU CG C 13 28.564 0.000 . 1 . . . . . 16 LEU CG . 27317 1 89 . 1 1 16 16 LEU CD1 C 13 26.018 0.000 . 2 . . . . . 16 LEU CD1 . 27317 1 90 . 1 1 16 16 LEU CD2 C 13 27.384 0.009 . 2 . . . . . 16 LEU CD2 . 27317 1 91 . 1 1 16 16 LEU N N 15 119.873 0.004 . 1 . . . . . 16 LEU N . 27317 1 92 . 1 1 17 17 SER C C 13 173.786 0.041 . 1 . . . . . 17 SER C . 27317 1 93 . 1 1 17 17 SER CA C 13 60.346 0.011 . 1 . . . . . 17 SER CA . 27317 1 94 . 1 1 17 17 SER CB C 13 62.829 0.028 . 1 . . . . . 17 SER CB . 27317 1 95 . 1 1 17 17 SER N N 15 113.431 0.004 . 1 . . . . . 17 SER N . 27317 1 96 . 1 1 18 18 PHE C C 13 177.310 0.020 . 1 . . . . . 18 PHE C . 27317 1 97 . 1 1 18 18 PHE CA C 13 57.239 0.056 . 1 . . . . . 18 PHE CA . 27317 1 98 . 1 1 18 18 PHE CB C 13 39.924 0.001 . 1 . . . . . 18 PHE CB . 27317 1 99 . 1 1 18 18 PHE CD1 C 13 130.729 0.000 . 1 . . . . . 18 PHE CD1 . 27317 1 100 . 1 1 18 18 PHE CD2 C 13 130.729 0.000 . 1 . . . . . 18 PHE CD2 . 27317 1 101 . 1 1 18 18 PHE N N 15 121.335 0.051 . 1 . . . . . 18 PHE N . 27317 1 102 . 1 1 19 19 LEU C C 13 174.124 0.006 . 1 . . . . . 19 LEU C . 27317 1 103 . 1 1 19 19 LEU CA C 13 51.126 0.017 . 1 . . . . . 19 LEU CA . 27317 1 104 . 1 1 19 19 LEU CB C 13 40.118 0.011 . 1 . . . . . 19 LEU CB . 27317 1 105 . 1 1 19 19 LEU CG C 13 26.090 0.006 . 1 . . . . . 19 LEU CG . 27317 1 106 . 1 1 19 19 LEU CD1 C 13 25.576 0.000 . 1 . . . . . 19 LEU CD1 . 27317 1 107 . 1 1 19 19 LEU N N 15 117.514 0.139 . 1 . . . . . 19 LEU N . 27317 1 108 . 1 1 20 20 PRO C C 13 177.427 0.003 . 1 . . . . . 20 PRO C . 27317 1 109 . 1 1 20 20 PRO CA C 13 61.600 0.018 . 1 . . . . . 20 PRO CA . 27317 1 110 . 1 1 20 20 PRO CB C 13 32.692 0.002 . 1 . . . . . 20 PRO CB . 27317 1 111 . 1 1 20 20 PRO CG C 13 27.826 0.036 . 1 . . . . . 20 PRO CG . 27317 1 112 . 1 1 20 20 PRO CD C 13 50.423 0.020 . 1 . . . . . 20 PRO CD . 27317 1 113 . 1 1 20 20 PRO N N 15 134.468 0.123 . 1 . . . . . 20 PRO N . 27317 1 114 . 1 1 21 21 SER C C 13 174.344 0.026 . 1 . . . . . 21 SER C . 27317 1 115 . 1 1 21 21 SER CA C 13 61.576 0.032 . 1 . . . . . 21 SER CA . 27317 1 116 . 1 1 21 21 SER CB C 13 62.955 0.027 . 1 . . . . . 21 SER CB . 27317 1 117 . 1 1 21 21 SER N N 15 116.493 0.060 . 1 . . . . . 21 SER N . 27317 1 118 . 1 1 22 22 ASP C C 13 176.406 0.007 . 1 . . . . . 22 ASP C . 27317 1 119 . 1 1 22 22 ASP CA C 13 52.755 0.021 . 1 . . . . . 22 ASP CA . 27317 1 120 . 1 1 22 22 ASP CB C 13 39.264 0.003 . 1 . . . . . 22 ASP CB . 27317 1 121 . 1 1 22 22 ASP CG C 13 180.963 0.001 . 1 . . . . . 22 ASP CG . 27317 1 122 . 1 1 22 22 ASP N N 15 114.721 0.011 . 1 . . . . . 22 ASP N . 27317 1 123 . 1 1 23 23 PHE C C 13 173.872 0.017 . 1 . . . . . 23 PHE C . 27317 1 124 . 1 1 23 23 PHE CA C 13 59.367 0.021 . 1 . . . . . 23 PHE CA . 27317 1 125 . 1 1 23 23 PHE CB C 13 39.122 0.024 . 1 . . . . . 23 PHE CB . 27317 1 126 . 1 1 23 23 PHE CG C 13 137.643 0.000 . 1 . . . . . 23 PHE CG . 27317 1 127 . 1 1 23 23 PHE CD1 C 13 130.760 0.000 . 1 . . . . . 23 PHE CD1 . 27317 1 128 . 1 1 23 23 PHE CD2 C 13 130.760 0.000 . 1 . . . . . 23 PHE CD2 . 27317 1 129 . 1 1 23 23 PHE N N 15 119.223 0.065 . 1 . . . . . 23 PHE N . 27317 1 130 . 1 1 24 24 PHE C C 13 174.128 0.014 . 1 . . . . . 24 PHE C . 27317 1 131 . 1 1 24 24 PHE CA C 13 57.505 0.006 . 1 . . . . . 24 PHE CA . 27317 1 132 . 1 1 24 24 PHE CB C 13 38.018 0.000 . 1 . . . . . 24 PHE CB . 27317 1 133 . 1 1 24 24 PHE CD1 C 13 131.643 0.000 . 1 . . . . . 24 PHE CD1 . 27317 1 134 . 1 1 24 24 PHE CD2 C 13 131.643 0.000 . 1 . . . . . 24 PHE CD2 . 27317 1 135 . 1 1 24 24 PHE CE1 C 13 130.636 0.000 . 1 . . . . . 24 PHE CE1 . 27317 1 136 . 1 1 24 24 PHE CE2 C 13 130.636 0.000 . 1 . . . . . 24 PHE CE2 . 27317 1 137 . 1 1 24 24 PHE N N 15 113.265 0.008 . 1 . . . . . 24 PHE N . 27317 1 138 . 1 1 25 25 PRO C C 13 173.999 0.169 . 1 . . . . . 25 PRO C . 27317 1 139 . 1 1 25 25 PRO CA C 13 61.787 0.016 . 1 . . . . . 25 PRO CA . 27317 1 140 . 1 1 25 25 PRO CB C 13 32.188 0.019 . 1 . . . . . 25 PRO CB . 27317 1 141 . 1 1 25 25 PRO CG C 13 27.884 0.010 . 1 . . . . . 25 PRO CG . 27317 1 142 . 1 1 25 25 PRO CD C 13 50.534 0.025 . 1 . . . . . 25 PRO CD . 27317 1 143 . 1 1 25 25 PRO N N 15 133.942 0.011 . 1 . . . . . 25 PRO N . 27317 1 144 . 1 1 26 26 SER C C 13 173.748 0.021 . 1 . . . . . 26 SER C . 27317 1 145 . 1 1 26 26 SER CA C 13 57.209 0.005 . 1 . . . . . 26 SER CA . 27317 1 146 . 1 1 26 26 SER CB C 13 64.807 0.001 . 1 . . . . . 26 SER CB . 27317 1 147 . 1 1 26 26 SER N N 15 116.147 0.090 . 1 . . . . . 26 SER N . 27317 1 148 . 1 1 27 27 VAL C C 13 177.268 0.016 . 1 . . . . . 27 VAL C . 27317 1 149 . 1 1 27 27 VAL CA C 13 67.772 0.027 . 1 . . . . . 27 VAL CA . 27317 1 150 . 1 1 27 27 VAL CB C 13 31.698 0.016 . 1 . . . . . 27 VAL CB . 27317 1 151 . 1 1 27 27 VAL CG1 C 13 23.427 0.007 . 2 . . . . . 27 VAL CG1 . 27317 1 152 . 1 1 27 27 VAL CG2 C 13 21.659 0.000 . 2 . . . . . 27 VAL CG2 . 27317 1 153 . 1 1 27 27 VAL N N 15 119.687 0.003 . 1 . . . . . 27 VAL N . 27317 1 154 . 1 1 28 28 ARG C C 13 177.825 0.004 . 1 . . . . . 28 ARG C . 27317 1 155 . 1 1 28 28 ARG CA C 13 58.786 0.021 . 1 . . . . . 28 ARG CA . 27317 1 156 . 1 1 28 28 ARG CB C 13 30.378 0.009 . 1 . . . . . 28 ARG CB . 27317 1 157 . 1 1 28 28 ARG CG C 13 26.262 0.021 . 1 . . . . . 28 ARG CG . 27317 1 158 . 1 1 28 28 ARG CD C 13 43.191 0.045 . 1 . . . . . 28 ARG CD . 27317 1 159 . 1 1 28 28 ARG CZ C 13 159.408 0.000 . 1 . . . . . 28 ARG CZ . 27317 1 160 . 1 1 28 28 ARG N N 15 117.379 0.012 . 1 . . . . . 28 ARG N . 27317 1 161 . 1 1 28 28 ARG NE N 15 86.024 0.008 . 1 . . . . . 28 ARG NE . 27317 1 162 . 1 1 29 29 ASP C C 13 179.340 0.001 . 1 . . . . . 29 ASP C . 27317 1 163 . 1 1 29 29 ASP CA C 13 57.163 0.001 . 1 . . . . . 29 ASP CA . 27317 1 164 . 1 1 29 29 ASP CB C 13 39.824 0.001 . 1 . . . . . 29 ASP CB . 27317 1 165 . 1 1 29 29 ASP N N 15 118.566 0.016 . 1 . . . . . 29 ASP N . 27317 1 166 . 1 1 30 30 LEU C C 13 178.800 0.031 . 1 . . . . . 30 LEU C . 27317 1 167 . 1 1 30 30 LEU CA C 13 57.981 0.003 . 1 . . . . . 30 LEU CA . 27317 1 168 . 1 1 30 30 LEU CB C 13 42.534 0.001 . 1 . . . . . 30 LEU CB . 27317 1 169 . 1 1 30 30 LEU CG C 13 27.521 0.003 . 1 . . . . . 30 LEU CG . 27317 1 170 . 1 1 30 30 LEU N N 15 121.570 0.010 . 1 . . . . . 30 LEU N . 27317 1 171 . 1 1 31 31 LEU C C 13 180.334 0.000 . 1 . . . . . 31 LEU C . 27317 1 172 . 1 1 31 31 LEU CA C 13 58.211 0.000 . 1 . . . . . 31 LEU CA . 27317 1 173 . 1 1 31 31 LEU CB C 13 41.276 0.000 . 1 . . . . . 31 LEU CB . 27317 1 174 . 1 1 31 31 LEU CG C 13 27.211 0.000 . 1 . . . . . 31 LEU CG . 27317 1 175 . 1 1 31 31 LEU CD1 C 13 24.068 0.000 . 1 . . . . . 31 LEU CD1 . 27317 1 176 . 1 1 31 31 LEU N N 15 122.021 0.010 . 1 . . . . . 31 LEU N . 27317 1 177 . 1 1 32 32 ASP C C 13 179.578 0.000 . 1 . . . . . 32 ASP C . 27317 1 178 . 1 1 32 32 ASP CA C 13 57.285 0.011 . 1 . . . . . 32 ASP CA . 27317 1 179 . 1 1 32 32 ASP CB C 13 39.872 0.000 . 1 . . . . . 32 ASP CB . 27317 1 180 . 1 1 32 32 ASP N N 15 120.947 0.011 . 1 . . . . . 32 ASP N . 27317 1 181 . 1 1 33 33 THR C C 13 175.473 0.020 . 1 . . . . . 33 THR C . 27317 1 182 . 1 1 33 33 THR CA C 13 67.734 0.018 . 1 . . . . . 33 THR CA . 27317 1 183 . 1 1 33 33 THR CB C 13 67.556 0.002 . 1 . . . . . 33 THR CB . 27317 1 184 . 1 1 33 33 THR CG2 C 13 21.584 0.005 . 1 . . . . . 33 THR CG2 . 27317 1 185 . 1 1 33 33 THR N N 15 119.111 0.059 . 1 . . . . . 33 THR N . 27317 1 186 . 1 1 34 34 ALA C C 13 178.926 0.007 . 1 . . . . . 34 ALA C . 27317 1 187 . 1 1 34 34 ALA CA C 13 55.362 0.018 . 1 . . . . . 34 ALA CA . 27317 1 188 . 1 1 34 34 ALA CB C 13 16.683 0.011 . 1 . . . . . 34 ALA CB . 27317 1 189 . 1 1 34 34 ALA N N 15 122.699 0.048 . 1 . . . . . 34 ALA N . 27317 1 190 . 1 1 35 35 SER C C 13 176.574 0.013 . 1 . . . . . 35 SER C . 27317 1 191 . 1 1 35 35 SER CA C 13 60.661 0.003 . 1 . . . . . 35 SER CA . 27317 1 192 . 1 1 35 35 SER CB C 13 63.088 0.001 . 1 . . . . . 35 SER CB . 27317 1 193 . 1 1 35 35 SER N N 15 110.312 0.034 . 1 . . . . . 35 SER N . 27317 1 194 . 1 1 36 36 ALA C C 13 179.015 0.009 . 1 . . . . . 36 ALA C . 27317 1 195 . 1 1 36 36 ALA CA C 13 54.610 0.019 . 1 . . . . . 36 ALA CA . 27317 1 196 . 1 1 36 36 ALA CB C 13 19.278 0.005 . 1 . . . . . 36 ALA CB . 27317 1 197 . 1 1 36 36 ALA N N 15 120.867 0.009 . 1 . . . . . 36 ALA N . 27317 1 198 . 1 1 37 37 LEU C C 13 178.722 0.084 . 1 . . . . . 37 LEU C . 27317 1 199 . 1 1 37 37 LEU CA C 13 55.645 0.012 . 1 . . . . . 37 LEU CA . 27317 1 200 . 1 1 37 37 LEU CB C 13 43.058 0.001 . 1 . . . . . 37 LEU CB . 27317 1 201 . 1 1 37 37 LEU CG C 13 27.138 0.020 . 1 . . . . . 37 LEU CG . 27317 1 202 . 1 1 37 37 LEU CD1 C 13 25.159 0.000 . 2 . . . . . 37 LEU CD1 . 27317 1 203 . 1 1 37 37 LEU CD2 C 13 22.811 0.000 . 2 . . . . . 37 LEU CD2 . 27317 1 204 . 1 1 37 37 LEU N N 15 111.046 0.016 . 1 . . . . . 37 LEU N . 27317 1 205 . 1 1 38 38 TYR C C 13 175.855 0.024 . 1 . . . . . 38 TYR C . 27317 1 206 . 1 1 38 38 TYR CA C 13 57.143 0.032 . 1 . . . . . 38 TYR CA . 27317 1 207 . 1 1 38 38 TYR CB C 13 39.316 0.000 . 1 . . . . . 38 TYR CB . 27317 1 208 . 1 1 38 38 TYR CG C 13 129.198 0.000 . 1 . . . . . 38 TYR CG . 27317 1 209 . 1 1 38 38 TYR CD1 C 13 130.444 0.000 . 1 . . . . . 38 TYR CD1 . 27317 1 210 . 1 1 38 38 TYR CD2 C 13 130.444 0.000 . 1 . . . . . 38 TYR CD2 . 27317 1 211 . 1 1 38 38 TYR N N 15 113.066 0.044 . 1 . . . . . 38 TYR N . 27317 1 212 . 1 1 39 39 ARG C C 13 176.949 0.015 . 1 . . . . . 39 ARG C . 27317 1 213 . 1 1 39 39 ARG CA C 13 61.781 0.010 . 1 . . . . . 39 ARG CA . 27317 1 214 . 1 1 39 39 ARG CB C 13 30.576 0.037 . 1 . . . . . 39 ARG CB . 27317 1 215 . 1 1 39 39 ARG CG C 13 26.788 0.011 . 1 . . . . . 39 ARG CG . 27317 1 216 . 1 1 39 39 ARG CD C 13 43.457 0.026 . 1 . . . . . 39 ARG CD . 27317 1 217 . 1 1 39 39 ARG CZ C 13 159.297 0.002 . 1 . . . . . 39 ARG CZ . 27317 1 218 . 1 1 39 39 ARG N N 15 121.572 0.067 . 1 . . . . . 39 ARG N . 27317 1 219 . 1 1 39 39 ARG NE N 15 83.917 0.002 . 1 . . . . . 39 ARG NE . 27317 1 220 . 1 1 39 39 ARG NH1 N 15 71.546 0.000 . 1 . . . . . 39 ARG NH1 . 27317 1 221 . 1 1 40 40 GLU C C 13 179.378 0.033 . 1 . . . . . 40 GLU C . 27317 1 222 . 1 1 40 40 GLU CA C 13 59.865 0.018 . 1 . . . . . 40 GLU CA . 27317 1 223 . 1 1 40 40 GLU CB C 13 28.680 0.040 . 1 . . . . . 40 GLU CB . 27317 1 224 . 1 1 40 40 GLU CG C 13 36.868 0.000 . 1 . . . . . 40 GLU CG . 27317 1 225 . 1 1 40 40 GLU CD C 13 183.895 0.000 . 1 . . . . . 40 GLU CD . 27317 1 226 . 1 1 40 40 GLU N N 15 116.006 0.006 . 1 . . . . . 40 GLU N . 27317 1 227 . 1 1 41 41 ALA C C 13 182.521 0.066 . 1 . . . . . 41 ALA C . 27317 1 228 . 1 1 41 41 ALA CA C 13 54.672 0.007 . 1 . . . . . 41 ALA CA . 27317 1 229 . 1 1 41 41 ALA CB C 13 19.120 0.005 . 1 . . . . . 41 ALA CB . 27317 1 230 . 1 1 41 41 ALA N N 15 120.652 0.018 . 1 . . . . . 41 ALA N . 27317 1 231 . 1 1 42 42 LEU C C 13 179.575 0.015 . 1 . . . . . 42 LEU C . 27317 1 232 . 1 1 42 42 LEU CA C 13 58.334 0.038 . 1 . . . . . 42 LEU CA . 27317 1 233 . 1 1 42 42 LEU CB C 13 40.933 0.009 . 1 . . . . . 42 LEU CB . 27317 1 234 . 1 1 42 42 LEU CG C 13 27.247 0.015 . 1 . . . . . 42 LEU CG . 27317 1 235 . 1 1 42 42 LEU CD1 C 13 24.644 0.015 . 2 . . . . . 42 LEU CD1 . 27317 1 236 . 1 1 42 42 LEU CD2 C 13 26.137 0.000 . 2 . . . . . 42 LEU CD2 . 27317 1 237 . 1 1 42 42 LEU N N 15 119.643 0.012 . 1 . . . . . 42 LEU N . 27317 1 238 . 1 1 43 43 GLU C C 13 175.031 0.008 . 1 . . . . . 43 GLU C . 27317 1 239 . 1 1 43 43 GLU CA C 13 57.450 0.030 . 1 . . . . . 43 GLU CA . 27317 1 240 . 1 1 43 43 GLU CB C 13 30.240 0.014 . 1 . . . . . 43 GLU CB . 27317 1 241 . 1 1 43 43 GLU CG C 13 37.178 0.005 . 1 . . . . . 43 GLU CG . 27317 1 242 . 1 1 43 43 GLU CD C 13 183.249 0.006 . 1 . . . . . 43 GLU CD . 27317 1 243 . 1 1 43 43 GLU N N 15 118.646 0.002 . 1 . . . . . 43 GLU N . 27317 1 244 . 1 1 44 44 SER C C 13 172.723 0.018 . 1 . . . . . 44 SER C . 27317 1 245 . 1 1 44 44 SER CA C 13 57.790 0.015 . 1 . . . . . 44 SER CA . 27317 1 246 . 1 1 44 44 SER CB C 13 63.501 0.019 . 1 . . . . . 44 SER CB . 27317 1 247 . 1 1 44 44 SER N N 15 116.086 0.046 . 1 . . . . . 44 SER N . 27317 1 248 . 1 1 45 45 PRO C C 13 174.758 0.016 . 1 . . . . . 45 PRO C . 27317 1 249 . 1 1 45 45 PRO CA C 13 62.388 0.030 . 1 . . . . . 45 PRO CA . 27317 1 250 . 1 1 45 45 PRO CB C 13 30.663 0.011 . 1 . . . . . 45 PRO CB . 27317 1 251 . 1 1 45 45 PRO CG C 13 27.012 0.021 . 1 . . . . . 45 PRO CG . 27317 1 252 . 1 1 45 45 PRO CD C 13 49.925 0.018 . 1 . . . . . 45 PRO CD . 27317 1 253 . 1 1 45 45 PRO N N 15 132.009 0.027 . 1 . . . . . 45 PRO N . 27317 1 254 . 1 1 46 46 GLU C C 13 175.724 0.036 . 1 . . . . . 46 GLU C . 27317 1 255 . 1 1 46 46 GLU CA C 13 54.095 0.013 . 1 . . . . . 46 GLU CA . 27317 1 256 . 1 1 46 46 GLU CB C 13 31.042 0.006 . 1 . . . . . 46 GLU CB . 27317 1 257 . 1 1 46 46 GLU CG C 13 35.690 0.011 . 1 . . . . . 46 GLU CG . 27317 1 258 . 1 1 46 46 GLU CD C 13 183.567 0.017 . 1 . . . . . 46 GLU CD . 27317 1 259 . 1 1 46 46 GLU N N 15 117.957 0.036 . 1 . . . . . 46 GLU N . 27317 1 260 . 1 1 47 47 HIS C C 13 178.355 0.001 . 1 . . . . . 47 HIS C . 27317 1 261 . 1 1 47 47 HIS CA C 13 59.267 0.002 . 1 . . . . . 47 HIS CA . 27317 1 262 . 1 1 47 47 HIS CB C 13 28.538 0.001 . 1 . . . . . 47 HIS CB . 27317 1 263 . 1 1 47 47 HIS CG C 13 128.288 0.000 . 1 . . . . . 47 HIS CG . 27317 1 264 . 1 1 47 47 HIS CD2 C 13 120.753 0.000 . 1 . . . . . 47 HIS CD2 . 27317 1 265 . 1 1 47 47 HIS N N 15 120.417 0.002 . 1 . . . . . 47 HIS N . 27317 1 266 . 1 1 48 48 CYS C C 13 174.957 0.041 . 1 . . . . . 48 CYS C . 27317 1 267 . 1 1 48 48 CYS CA C 13 65.170 0.012 . 1 . . . . . 48 CYS CA . 27317 1 268 . 1 1 48 48 CYS CB C 13 22.901 0.003 . 1 . . . . . 48 CYS CB . 27317 1 269 . 1 1 48 48 CYS N N 15 107.908 0.008 . 1 . . . . . 48 CYS N . 27317 1 270 . 1 1 49 49 SER C C 13 173.295 0.065 . 1 . . . . . 49 SER C . 27317 1 271 . 1 1 49 49 SER CA C 13 59.299 0.022 . 1 . . . . . 49 SER CA . 27317 1 272 . 1 1 49 49 SER CB C 13 64.598 0.035 . 1 . . . . . 49 SER CB . 27317 1 273 . 1 1 49 49 SER N N 15 118.958 0.024 . 1 . . . . . 49 SER N . 27317 1 274 . 1 1 50 50 PRO C C 13 178.825 0.028 . 1 . . . . . 50 PRO C . 27317 1 275 . 1 1 50 50 PRO CA C 13 64.801 0.020 . 1 . . . . . 50 PRO CA . 27317 1 276 . 1 1 50 50 PRO CB C 13 32.067 0.008 . 1 . . . . . 50 PRO CB . 27317 1 277 . 1 1 50 50 PRO CG C 13 26.884 0.019 . 1 . . . . . 50 PRO CG . 27317 1 278 . 1 1 50 50 PRO CD C 13 50.589 0.012 . 1 . . . . . 50 PRO CD . 27317 1 279 . 1 1 50 50 PRO N N 15 133.344 0.040 . 1 . . . . . 50 PRO N . 27317 1 280 . 1 1 51 51 HIS C C 13 177.476 0.029 . 1 . . . . . 51 HIS C . 27317 1 281 . 1 1 51 51 HIS CA C 13 59.028 0.030 . 1 . . . . . 51 HIS CA . 27317 1 282 . 1 1 51 51 HIS CB C 13 28.504 0.003 . 1 . . . . . 51 HIS CB . 27317 1 283 . 1 1 51 51 HIS CG C 13 129.141 0.000 . 1 . . . . . 51 HIS CG . 27317 1 284 . 1 1 51 51 HIS CD2 C 13 128.377 0.000 . 1 . . . . . 51 HIS CD2 . 27317 1 285 . 1 1 51 51 HIS N N 15 113.906 0.033 . 1 . . . . . 51 HIS N . 27317 1 286 . 1 1 52 52 HIS C C 13 177.999 0.024 . 1 . . . . . 52 HIS C . 27317 1 287 . 1 1 52 52 HIS CA C 13 61.399 0.037 . 1 . . . . . 52 HIS CA . 27317 1 288 . 1 1 52 52 HIS CB C 13 29.566 0.011 . 1 . . . . . 52 HIS CB . 27317 1 289 . 1 1 52 52 HIS CG C 13 129.309 0.000 . 1 . . . . . 52 HIS CG . 27317 1 290 . 1 1 52 52 HIS CD2 C 13 114.806 0.000 . 1 . . . . . 52 HIS CD2 . 27317 1 291 . 1 1 52 52 HIS CE1 C 13 138.415 0.006 . 1 . . . . . 52 HIS CE1 . 27317 1 292 . 1 1 52 52 HIS N N 15 118.878 0.001 . 1 . . . . . 52 HIS N . 27317 1 293 . 1 1 53 53 THR C C 13 177.252 0.011 . 1 . . . . . 53 THR C . 27317 1 294 . 1 1 53 53 THR CA C 13 68.152 0.045 . 1 . . . . . 53 THR CA . 27317 1 295 . 1 1 53 53 THR CB C 13 69.073 0.037 . 1 . . . . . 53 THR CB . 27317 1 296 . 1 1 53 53 THR CG2 C 13 21.835 0.008 . 1 . . . . . 53 THR CG2 . 27317 1 297 . 1 1 53 53 THR N N 15 117.284 0.053 . 1 . . . . . 53 THR N . 27317 1 298 . 1 1 54 54 ALA C C 13 179.133 0.022 . 1 . . . . . 54 ALA C . 27317 1 299 . 1 1 54 54 ALA CA C 13 56.375 0.008 . 1 . . . . . 54 ALA CA . 27317 1 300 . 1 1 54 54 ALA CB C 13 17.282 0.018 . 1 . . . . . 54 ALA CB . 27317 1 301 . 1 1 54 54 ALA N N 15 123.181 0.028 . 1 . . . . . 54 ALA N . 27317 1 302 . 1 1 55 55 LEU C C 13 178.564 0.015 . 1 . . . . . 55 LEU C . 27317 1 303 . 1 1 55 55 LEU CA C 13 57.787 0.009 . 1 . . . . . 55 LEU CA . 27317 1 304 . 1 1 55 55 LEU CB C 13 43.487 0.004 . 1 . . . . . 55 LEU CB . 27317 1 305 . 1 1 55 55 LEU CG C 13 26.702 0.037 . 1 . . . . . 55 LEU CG . 27317 1 306 . 1 1 55 55 LEU CD1 C 13 25.227 0.003 . 2 . . . . . 55 LEU CD1 . 27317 1 307 . 1 1 55 55 LEU CD2 C 13 25.404 0.001 . 2 . . . . . 55 LEU CD2 . 27317 1 308 . 1 1 55 55 LEU N N 15 117.233 0.022 . 1 . . . . . 55 LEU N . 27317 1 309 . 1 1 56 56 ARG C C 13 177.482 0.008 . 1 . . . . . 56 ARG C . 27317 1 310 . 1 1 56 56 ARG CA C 13 60.561 0.005 . 1 . . . . . 56 ARG CA . 27317 1 311 . 1 1 56 56 ARG CB C 13 30.654 0.001 . 1 . . . . . 56 ARG CB . 27317 1 312 . 1 1 56 56 ARG CG C 13 30.006 0.003 . 1 . . . . . 56 ARG CG . 27317 1 313 . 1 1 56 56 ARG CD C 13 44.428 0.027 . 1 . . . . . 56 ARG CD . 27317 1 314 . 1 1 56 56 ARG CZ C 13 158.857 0.024 . 1 . . . . . 56 ARG CZ . 27317 1 315 . 1 1 56 56 ARG N N 15 116.839 0.028 . 1 . . . . . 56 ARG N . 27317 1 316 . 1 1 56 56 ARG NE N 15 89.243 0.024 . 1 . . . . . 56 ARG NE . 27317 1 317 . 1 1 56 56 ARG NH1 N 15 74.709 0.000 . 1 . . . . . 56 ARG NH1 . 27317 1 318 . 1 1 56 56 ARG NH2 N 15 70.342 0.000 . 1 . . . . . 56 ARG NH2 . 27317 1 319 . 1 1 57 57 GLN C C 13 178.602 0.008 . 1 . . . . . 57 GLN C . 27317 1 320 . 1 1 57 57 GLN CA C 13 57.497 0.041 . 1 . . . . . 57 GLN CA . 27317 1 321 . 1 1 57 57 GLN CB C 13 27.957 0.003 . 1 . . . . . 57 GLN CB . 27317 1 322 . 1 1 57 57 GLN CG C 13 38.158 0.002 . 1 . . . . . 57 GLN CG . 27317 1 323 . 1 1 57 57 GLN CD C 13 174.145 0.000 . 1 . . . . . 57 GLN CD . 27317 1 324 . 1 1 57 57 GLN N N 15 112.941 0.029 . 1 . . . . . 57 GLN N . 27317 1 325 . 1 1 58 58 ALA C C 13 179.021 0.015 . 1 . . . . . 58 ALA C . 27317 1 326 . 1 1 58 58 ALA CA C 13 56.109 0.019 . 1 . . . . . 58 ALA CA . 27317 1 327 . 1 1 58 58 ALA CB C 13 19.485 0.035 . 1 . . . . . 58 ALA CB . 27317 1 328 . 1 1 58 58 ALA N N 15 119.590 0.004 . 1 . . . . . 58 ALA N . 27317 1 329 . 1 1 59 59 ILE C C 13 179.265 0.036 . 1 . . . . . 59 ILE C . 27317 1 330 . 1 1 59 59 ILE CA C 13 66.149 0.039 . 1 . . . . . 59 ILE CA . 27317 1 331 . 1 1 59 59 ILE CB C 13 38.344 0.014 . 1 . . . . . 59 ILE CB . 27317 1 332 . 1 1 59 59 ILE CG1 C 13 30.957 0.050 . 1 . . . . . 59 ILE CG1 . 27317 1 333 . 1 1 59 59 ILE CG2 C 13 17.400 0.013 . 1 . . . . . 59 ILE CG2 . 27317 1 334 . 1 1 59 59 ILE CD1 C 13 14.006 0.008 . 1 . . . . . 59 ILE CD1 . 27317 1 335 . 1 1 59 59 ILE N N 15 118.375 0.013 . 1 . . . . . 59 ILE N . 27317 1 336 . 1 1 60 60 LEU C C 13 180.480 0.009 . 1 . . . . . 60 LEU C . 27317 1 337 . 1 1 60 60 LEU CA C 13 57.900 0.005 . 1 . . . . . 60 LEU CA . 27317 1 338 . 1 1 60 60 LEU CB C 13 42.383 0.005 . 1 . . . . . 60 LEU CB . 27317 1 339 . 1 1 60 60 LEU CG C 13 26.929 0.016 . 1 . . . . . 60 LEU CG . 27317 1 340 . 1 1 60 60 LEU CD1 C 13 22.357 0.000 . 2 . . . . . 60 LEU CD1 . 27317 1 341 . 1 1 60 60 LEU CD2 C 13 23.496 0.000 . 2 . . . . . 60 LEU CD2 . 27317 1 342 . 1 1 60 60 LEU N N 15 122.048 0.006 . 1 . . . . . 60 LEU N . 27317 1 343 . 1 1 61 61 CYS C C 13 176.656 0.007 . 1 . . . . . 61 CYS C . 27317 1 344 . 1 1 61 61 CYS CA C 13 63.261 0.012 . 1 . . . . . 61 CYS CA . 27317 1 345 . 1 1 61 61 CYS CB C 13 27.640 0.000 . 1 . . . . . 61 CYS CB . 27317 1 346 . 1 1 61 61 CYS N N 15 119.907 0.011 . 1 . . . . . 61 CYS N . 27317 1 347 . 1 1 62 62 TRP C C 13 178.050 0.004 . 1 . . . . . 62 TRP C . 27317 1 348 . 1 1 62 62 TRP CA C 13 60.150 0.013 . 1 . . . . . 62 TRP CA . 27317 1 349 . 1 1 62 62 TRP CB C 13 29.958 0.018 . 1 . . . . . 62 TRP CB . 27317 1 350 . 1 1 62 62 TRP CG C 13 110.860 0.000 . 1 . . . . . 62 TRP CG . 27317 1 351 . 1 1 62 62 TRP CD1 C 13 125.783 0.000 . 1 . . . . . 62 TRP CD1 . 27317 1 352 . 1 1 62 62 TRP N N 15 120.167 0.196 . 1 . . . . . 62 TRP N . 27317 1 353 . 1 1 63 63 GLY C C 13 177.501 0.005 . 1 . . . . . 63 GLY C . 27317 1 354 . 1 1 63 63 GLY CA C 13 47.458 0.006 . 1 . . . . . 63 GLY CA . 27317 1 355 . 1 1 63 63 GLY N N 15 104.795 0.004 . 1 . . . . . 63 GLY N . 27317 1 356 . 1 1 64 64 GLU C C 13 180.378 0.025 . 1 . . . . . 64 GLU C . 27317 1 357 . 1 1 64 64 GLU CA C 13 58.166 0.006 . 1 . . . . . 64 GLU CA . 27317 1 358 . 1 1 64 64 GLU CB C 13 28.889 0.009 . 1 . . . . . 64 GLU CB . 27317 1 359 . 1 1 64 64 GLU CG C 13 36.098 0.008 . 1 . . . . . 64 GLU CG . 27317 1 360 . 1 1 64 64 GLU CD C 13 181.567 0.017 . 1 . . . . . 64 GLU CD . 27317 1 361 . 1 1 64 64 GLU N N 15 120.472 0.006 . 1 . . . . . 64 GLU N . 27317 1 362 . 1 1 65 65 LEU C C 13 178.378 0.015 . 1 . . . . . 65 LEU C . 27317 1 363 . 1 1 65 65 LEU CA C 13 57.333 0.014 . 1 . . . . . 65 LEU CA . 27317 1 364 . 1 1 65 65 LEU CB C 13 39.906 0.016 . 1 . . . . . 65 LEU CB . 27317 1 365 . 1 1 65 65 LEU CG C 13 27.063 0.008 . 1 . . . . . 65 LEU CG . 27317 1 366 . 1 1 65 65 LEU CD1 C 13 22.804 0.005 . 2 . . . . . 65 LEU CD1 . 27317 1 367 . 1 1 65 65 LEU CD2 C 13 23.621 0.000 . 2 . . . . . 65 LEU CD2 . 27317 1 368 . 1 1 65 65 LEU N N 15 124.727 0.013 . 1 . . . . . 65 LEU N . 27317 1 369 . 1 1 66 66 MET C C 13 180.083 0.009 . 1 . . . . . 66 MET C . 27317 1 370 . 1 1 66 66 MET CA C 13 56.735 0.038 . 1 . . . . . 66 MET CA . 27317 1 371 . 1 1 66 66 MET CB C 13 33.957 0.004 . 1 . . . . . 66 MET CB . 27317 1 372 . 1 1 66 66 MET CG C 13 32.953 0.016 . 1 . . . . . 66 MET CG . 27317 1 373 . 1 1 66 66 MET CE C 13 19.782 0.000 . 1 . . . . . 66 MET CE . 27317 1 374 . 1 1 66 66 MET N N 15 120.265 0.001 . 1 . . . . . 66 MET N . 27317 1 375 . 1 1 67 67 THR C C 13 176.449 0.010 . 1 . . . . . 67 THR C . 27317 1 376 . 1 1 67 67 THR CA C 13 66.956 0.012 . 1 . . . . . 67 THR CA . 27317 1 377 . 1 1 67 67 THR CB C 13 67.938 0.021 . 1 . . . . . 67 THR CB . 27317 1 378 . 1 1 67 67 THR CG2 C 13 22.356 0.005 . 1 . . . . . 67 THR CG2 . 27317 1 379 . 1 1 67 67 THR N N 15 121.351 0.010 . 1 . . . . . 67 THR N . 27317 1 380 . 1 1 68 68 LEU C C 13 177.267 0.011 . 1 . . . . . 68 LEU C . 27317 1 381 . 1 1 68 68 LEU CA C 13 58.349 0.023 . 1 . . . . . 68 LEU CA . 27317 1 382 . 1 1 68 68 LEU CB C 13 39.995 0.014 . 1 . . . . . 68 LEU CB . 27317 1 383 . 1 1 68 68 LEU CG C 13 27.572 0.060 . 1 . . . . . 68 LEU CG . 27317 1 384 . 1 1 68 68 LEU CD1 C 13 23.514 0.011 . 2 . . . . . 68 LEU CD1 . 27317 1 385 . 1 1 68 68 LEU CD2 C 13 25.191 0.000 . 2 . . . . . 68 LEU CD2 . 27317 1 386 . 1 1 68 68 LEU N N 15 124.599 0.017 . 1 . . . . . 68 LEU N . 27317 1 387 . 1 1 69 69 ALA C C 13 180.226 0.037 . 1 . . . . . 69 ALA C . 27317 1 388 . 1 1 69 69 ALA CA C 13 55.562 0.016 . 1 . . . . . 69 ALA CA . 27317 1 389 . 1 1 69 69 ALA CB C 13 17.330 0.017 . 1 . . . . . 69 ALA CB . 27317 1 390 . 1 1 69 69 ALA N N 15 121.829 0.004 . 1 . . . . . 69 ALA N . 27317 1 391 . 1 1 70 70 THR C C 13 176.132 0.010 . 1 . . . . . 70 THR C . 27317 1 392 . 1 1 70 70 THR CA C 13 66.330 0.010 . 1 . . . . . 70 THR CA . 27317 1 393 . 1 1 70 70 THR CB C 13 68.689 0.010 . 1 . . . . . 70 THR CB . 27317 1 394 . 1 1 70 70 THR CG2 C 13 21.739 0.005 . 1 . . . . . 70 THR CG2 . 27317 1 395 . 1 1 70 70 THR N N 15 117.519 0.074 . 1 . . . . . 70 THR N . 27317 1 396 . 1 1 71 71 TRP C C 13 180.769 0.007 . 1 . . . . . 71 TRP C . 27317 1 397 . 1 1 71 71 TRP CA C 13 62.376 0.024 . 1 . . . . . 71 TRP CA . 27317 1 398 . 1 1 71 71 TRP CB C 13 29.041 0.000 . 1 . . . . . 71 TRP CB . 27317 1 399 . 1 1 71 71 TRP CG C 13 111.183 0.000 . 1 . . . . . 71 TRP CG . 27317 1 400 . 1 1 71 71 TRP CD2 C 13 127.156 0.000 . 1 . . . . . 71 TRP CD2 . 27317 1 401 . 1 1 71 71 TRP CE2 C 13 138.007 0.000 . 1 . . . . . 71 TRP CE2 . 27317 1 402 . 1 1 71 71 TRP N N 15 125.460 0.018 . 1 . . . . . 71 TRP N . 27317 1 403 . 1 1 72 72 VAL C C 13 177.003 0.010 . 1 . . . . . 72 VAL C . 27317 1 404 . 1 1 72 72 VAL CA C 13 65.693 0.033 . 1 . . . . . 72 VAL CA . 27317 1 405 . 1 1 72 72 VAL CB C 13 31.585 0.006 . 1 . . . . . 72 VAL CB . 27317 1 406 . 1 1 72 72 VAL CG1 C 13 21.213 0.000 . 2 . . . . . 72 VAL CG1 . 27317 1 407 . 1 1 72 72 VAL CG2 C 13 22.771 0.000 . 2 . . . . . 72 VAL CG2 . 27317 1 408 . 1 1 72 72 VAL N N 15 118.973 0.047 . 1 . . . . . 72 VAL N . 27317 1 409 . 1 1 73 73 GLY C C 13 174.420 0.021 . 1 . . . . . 73 GLY C . 27317 1 410 . 1 1 73 73 GLY CA C 13 46.675 0.077 . 1 . . . . . 73 GLY CA . 27317 1 411 . 1 1 73 73 GLY N N 15 105.303 0.035 . 1 . . . . . 73 GLY N . 27317 1 412 . 1 1 74 74 VAL C C 13 176.869 0.006 . 1 . . . . . 74 VAL C . 27317 1 413 . 1 1 74 74 VAL CA C 13 63.066 0.023 . 1 . . . . . 74 VAL CA . 27317 1 414 . 1 1 74 74 VAL CB C 13 33.108 0.014 . 1 . . . . . 74 VAL CB . 27317 1 415 . 1 1 74 74 VAL CG1 C 13 21.157 0.011 . 2 . . . . . 74 VAL CG1 . 27317 1 416 . 1 1 74 74 VAL CG2 C 13 21.264 0.000 . 2 . . . . . 74 VAL CG2 . 27317 1 417 . 1 1 74 74 VAL N N 15 114.839 0.093 . 1 . . . . . 74 VAL N . 27317 1 418 . 1 1 75 75 ASN C C 13 174.294 0.017 . 1 . . . . . 75 ASN C . 27317 1 419 . 1 1 75 75 ASN CA C 13 55.278 0.007 . 1 . . . . . 75 ASN CA . 27317 1 420 . 1 1 75 75 ASN CB C 13 39.520 0.012 . 1 . . . . . 75 ASN CB . 27317 1 421 . 1 1 75 75 ASN CG C 13 176.106 0.013 . 1 . . . . . 75 ASN CG . 27317 1 422 . 1 1 75 75 ASN N N 15 114.676 0.030 . 1 . . . . . 75 ASN N . 27317 1 423 . 1 1 75 75 ASN ND2 N 15 116.800 0.000 . 1 . . . . . 75 ASN ND2 . 27317 1 424 . 1 1 76 76 LEU C C 13 176.643 0.066 . 1 . . . . . 76 LEU C . 27317 1 425 . 1 1 76 76 LEU CA C 13 55.274 0.020 . 1 . . . . . 76 LEU CA . 27317 1 426 . 1 1 76 76 LEU CB C 13 40.322 0.026 . 1 . . . . . 76 LEU CB . 27317 1 427 . 1 1 76 76 LEU CG C 13 29.620 0.043 . 1 . . . . . 76 LEU CG . 27317 1 428 . 1 1 76 76 LEU CD1 C 13 24.589 0.013 . 1 . . . . . 76 LEU CD1 . 27317 1 429 . 1 1 76 76 LEU N N 15 119.339 0.027 . 1 . . . . . 76 LEU N . 27317 1 430 . 1 1 77 77 GLU C C 13 175.949 0.019 . 1 . . . . . 77 GLU C . 27317 1 431 . 1 1 77 77 GLU CA C 13 56.945 0.013 . 1 . . . . . 77 GLU CA . 27317 1 432 . 1 1 77 77 GLU CB C 13 30.330 0.009 . 1 . . . . . 77 GLU CB . 27317 1 433 . 1 1 77 77 GLU CG C 13 36.458 0.036 . 1 . . . . . 77 GLU CG . 27317 1 434 . 1 1 77 77 GLU CD C 13 183.891 0.000 . 1 . . . . . 77 GLU CD . 27317 1 435 . 1 1 77 77 GLU N N 15 123.173 0.028 . 1 . . . . . 77 GLU N . 27317 1 436 . 1 1 78 78 ASP C C 13 174.033 0.013 . 1 . . . . . 78 ASP C . 27317 1 437 . 1 1 78 78 ASP CA C 13 51.191 0.017 . 1 . . . . . 78 ASP CA . 27317 1 438 . 1 1 78 78 ASP CB C 13 42.650 0.020 . 1 . . . . . 78 ASP CB . 27317 1 439 . 1 1 78 78 ASP CG C 13 180.236 0.021 . 1 . . . . . 78 ASP CG . 27317 1 440 . 1 1 78 78 ASP N N 15 118.870 0.038 . 1 . . . . . 78 ASP N . 27317 1 441 . 1 1 79 79 PRO C C 13 178.113 0.013 . 1 . . . . . 79 PRO C . 27317 1 442 . 1 1 79 79 PRO CA C 13 65.106 0.030 . 1 . . . . . 79 PRO CA . 27317 1 443 . 1 1 79 79 PRO CB C 13 32.166 0.018 . 1 . . . . . 79 PRO CB . 27317 1 444 . 1 1 79 79 PRO CG C 13 27.506 0.015 . 1 . . . . . 79 PRO CG . 27317 1 445 . 1 1 79 79 PRO CD C 13 51.261 0.016 . 1 . . . . . 79 PRO CD . 27317 1 446 . 1 1 79 79 PRO N N 15 140.759 0.027 . 1 . . . . . 79 PRO N . 27317 1 447 . 1 1 80 80 ALA C C 13 181.113 0.033 . 1 . . . . . 80 ALA C . 27317 1 448 . 1 1 80 80 ALA CA C 13 55.115 0.007 . 1 . . . . . 80 ALA CA . 27317 1 449 . 1 1 80 80 ALA CB C 13 18.069 0.009 . 1 . . . . . 80 ALA CB . 27317 1 450 . 1 1 80 80 ALA N N 15 118.514 0.009 . 1 . . . . . 80 ALA N . 27317 1 451 . 1 1 81 81 SER C C 13 174.940 0.004 . 1 . . . . . 81 SER C . 27317 1 452 . 1 1 81 81 SER CA C 13 62.768 0.004 . 1 . . . . . 81 SER CA . 27317 1 453 . 1 1 81 81 SER CB C 13 63.081 0.036 . 1 . . . . . 81 SER CB . 27317 1 454 . 1 1 81 81 SER N N 15 114.753 0.008 . 1 . . . . . 81 SER N . 27317 1 455 . 1 1 82 82 ARG C C 13 177.247 0.069 . 1 . . . . . 82 ARG C . 27317 1 456 . 1 1 82 82 ARG CA C 13 59.653 0.023 . 1 . . . . . 82 ARG CA . 27317 1 457 . 1 1 82 82 ARG CB C 13 30.366 0.016 . 1 . . . . . 82 ARG CB . 27317 1 458 . 1 1 82 82 ARG CG C 13 26.546 0.005 . 1 . . . . . 82 ARG CG . 27317 1 459 . 1 1 82 82 ARG CD C 13 42.843 0.025 . 1 . . . . . 82 ARG CD . 27317 1 460 . 1 1 82 82 ARG CZ C 13 159.439 0.000 . 1 . . . . . 82 ARG CZ . 27317 1 461 . 1 1 82 82 ARG N N 15 120.439 0.029 . 1 . . . . . 82 ARG N . 27317 1 462 . 1 1 82 82 ARG NE N 15 83.266 0.001 . 1 . . . . . 82 ARG NE . 27317 1 463 . 1 1 83 83 ASP C C 13 179.449 0.086 . 1 . . . . . 83 ASP C . 27317 1 464 . 1 1 83 83 ASP CA C 13 57.071 0.015 . 1 . . . . . 83 ASP CA . 27317 1 465 . 1 1 83 83 ASP CB C 13 39.845 0.001 . 1 . . . . . 83 ASP CB . 27317 1 466 . 1 1 83 83 ASP CG C 13 183.682 0.000 . 1 . . . . . 83 ASP CG . 27317 1 467 . 1 1 83 83 ASP N N 15 117.597 0.018 . 1 . . . . . 83 ASP N . 27317 1 468 . 1 1 84 84 LEU C C 13 179.661 0.032 . 1 . . . . . 84 LEU C . 27317 1 469 . 1 1 84 84 LEU CA C 13 58.380 0.024 . 1 . . . . . 84 LEU CA . 27317 1 470 . 1 1 84 84 LEU CB C 13 42.908 0.021 . 1 . . . . . 84 LEU CB . 27317 1 471 . 1 1 84 84 LEU CG C 13 27.441 0.015 . 1 . . . . . 84 LEU CG . 27317 1 472 . 1 1 84 84 LEU CD1 C 13 22.776 0.000 . 2 . . . . . 84 LEU CD1 . 27317 1 473 . 1 1 84 84 LEU CD2 C 13 20.924 0.000 . 2 . . . . . 84 LEU CD2 . 27317 1 474 . 1 1 84 84 LEU N N 15 121.434 0.012 . 1 . . . . . 84 LEU N . 27317 1 475 . 1 1 85 85 VAL C C 13 177.045 0.012 . 1 . . . . . 85 VAL C . 27317 1 476 . 1 1 85 85 VAL CA C 13 67.048 0.033 . 1 . . . . . 85 VAL CA . 27317 1 477 . 1 1 85 85 VAL CB C 13 31.842 0.027 . 1 . . . . . 85 VAL CB . 27317 1 478 . 1 1 85 85 VAL CG1 C 13 21.108 0.003 . 2 . . . . . 85 VAL CG1 . 27317 1 479 . 1 1 85 85 VAL CG2 C 13 24.419 0.004 . 2 . . . . . 85 VAL CG2 . 27317 1 480 . 1 1 85 85 VAL N N 15 117.703 0.019 . 1 . . . . . 85 VAL N . 27317 1 481 . 1 1 86 86 VAL C C 13 178.463 0.005 . 1 . . . . . 86 VAL C . 27317 1 482 . 1 1 86 86 VAL CA C 13 67.846 0.047 . 1 . . . . . 86 VAL CA . 27317 1 483 . 1 1 86 86 VAL CB C 13 31.683 0.011 . 1 . . . . . 86 VAL CB . 27317 1 484 . 1 1 86 86 VAL CG1 C 13 23.460 0.017 . 2 . . . . . 86 VAL CG1 . 27317 1 485 . 1 1 86 86 VAL CG2 C 13 21.604 0.017 . 2 . . . . . 86 VAL CG2 . 27317 1 486 . 1 1 86 86 VAL N N 15 118.909 0.021 . 1 . . . . . 86 VAL N . 27317 1 487 . 1 1 87 87 SER C C 13 176.815 0.028 . 1 . . . . . 87 SER C . 27317 1 488 . 1 1 87 87 SER CA C 13 61.689 0.002 . 1 . . . . . 87 SER CA . 27317 1 489 . 1 1 87 87 SER CB C 13 62.777 0.006 . 1 . . . . . 87 SER CB . 27317 1 490 . 1 1 87 87 SER N N 15 114.375 0.005 . 1 . . . . . 87 SER N . 27317 1 491 . 1 1 88 88 TYR C C 13 178.905 0.028 . 1 . . . . . 88 TYR C . 27317 1 492 . 1 1 88 88 TYR CA C 13 61.762 0.020 . 1 . . . . . 88 TYR CA . 27317 1 493 . 1 1 88 88 TYR CB C 13 37.020 0.012 . 1 . . . . . 88 TYR CB . 27317 1 494 . 1 1 88 88 TYR CG C 13 128.696 0.000 . 1 . . . . . 88 TYR CG . 27317 1 495 . 1 1 88 88 TYR CD1 C 13 130.880 0.000 . 1 . . . . . 88 TYR CD1 . 27317 1 496 . 1 1 88 88 TYR CD2 C 13 130.880 0.000 . 1 . . . . . 88 TYR CD2 . 27317 1 497 . 1 1 88 88 TYR CE1 C 13 116.657 0.000 . 1 . . . . . 88 TYR CE1 . 27317 1 498 . 1 1 88 88 TYR CE2 C 13 116.657 0.000 . 1 . . . . . 88 TYR CE2 . 27317 1 499 . 1 1 88 88 TYR CZ C 13 157.467 0.000 . 1 . . . . . 88 TYR CZ . 27317 1 500 . 1 1 88 88 TYR N N 15 125.047 0.010 . 1 . . . . . 88 TYR N . 27317 1 501 . 1 1 89 89 VAL C C 13 177.256 0.028 . 1 . . . . . 89 VAL C . 27317 1 502 . 1 1 89 89 VAL CA C 13 66.523 0.003 . 1 . . . . . 89 VAL CA . 27317 1 503 . 1 1 89 89 VAL CB C 13 32.031 0.009 . 1 . . . . . 89 VAL CB . 27317 1 504 . 1 1 89 89 VAL CG1 C 13 20.963 0.001 . 2 . . . . . 89 VAL CG1 . 27317 1 505 . 1 1 89 89 VAL CG2 C 13 21.725 0.000 . 2 . . . . . 89 VAL CG2 . 27317 1 506 . 1 1 89 89 VAL N N 15 119.030 0.003 . 1 . . . . . 89 VAL N . 27317 1 507 . 1 1 90 90 ASN C C 13 176.982 0.009 . 1 . . . . . 90 ASN C . 27317 1 508 . 1 1 90 90 ASN CA C 13 57.063 0.003 . 1 . . . . . 90 ASN CA . 27317 1 509 . 1 1 90 90 ASN CB C 13 39.338 0.006 . 1 . . . . . 90 ASN CB . 27317 1 510 . 1 1 90 90 ASN CG C 13 175.954 0.000 . 1 . . . . . 90 ASN CG . 27317 1 511 . 1 1 90 90 ASN N N 15 114.489 0.002 . 1 . . . . . 90 ASN N . 27317 1 512 . 1 1 90 90 ASN ND2 N 15 112.759 0.000 . 1 . . . . . 90 ASN ND2 . 27317 1 513 . 1 1 91 91 THR C C 13 174.866 0.011 . 1 . . . . . 91 THR C . 27317 1 514 . 1 1 91 91 THR CA C 13 64.672 0.015 . 1 . . . . . 91 THR CA . 27317 1 515 . 1 1 91 91 THR CB C 13 68.972 0.004 . 1 . . . . . 91 THR CB . 27317 1 516 . 1 1 91 91 THR CG2 C 13 21.196 0.003 . 1 . . . . . 91 THR CG2 . 27317 1 517 . 1 1 91 91 THR N N 15 112.835 0.006 . 1 . . . . . 91 THR N . 27317 1 518 . 1 1 92 92 ASN C C 13 177.157 0.051 . 1 . . . . . 92 ASN C . 27317 1 519 . 1 1 92 92 ASN CA C 13 56.218 0.010 . 1 . . . . . 92 ASN CA . 27317 1 520 . 1 1 92 92 ASN CB C 13 37.122 0.026 . 1 . . . . . 92 ASN CB . 27317 1 521 . 1 1 92 92 ASN CG C 13 175.104 0.006 . 1 . . . . . 92 ASN CG . 27317 1 522 . 1 1 92 92 ASN N N 15 120.692 0.032 . 1 . . . . . 92 ASN N . 27317 1 523 . 1 1 92 92 ASN ND2 N 15 112.549 0.000 . 1 . . . . . 92 ASN ND2 . 27317 1 524 . 1 1 93 93 MET C C 13 178.768 0.026 . 1 . . . . . 93 MET C . 27317 1 525 . 1 1 93 93 MET CA C 13 59.396 0.037 . 1 . . . . . 93 MET CA . 27317 1 526 . 1 1 93 93 MET CB C 13 32.032 0.005 . 1 . . . . . 93 MET CB . 27317 1 527 . 1 1 93 93 MET CG C 13 33.690 0.006 . 1 . . . . . 93 MET CG . 27317 1 528 . 1 1 93 93 MET CE C 13 19.321 0.000 . 1 . . . . . 93 MET CE . 27317 1 529 . 1 1 93 93 MET N N 15 117.103 0.003 . 1 . . . . . 93 MET N . 27317 1 530 . 1 1 94 94 GLY C C 13 174.970 0.011 . 1 . . . . . 94 GLY C . 27317 1 531 . 1 1 94 94 GLY CA C 13 47.686 0.019 . 1 . . . . . 94 GLY CA . 27317 1 532 . 1 1 94 94 GLY N N 15 104.720 0.016 . 1 . . . . . 94 GLY N . 27317 1 533 . 1 1 95 95 LEU C C 13 177.524 0.003 . 1 . . . . . 95 LEU C . 27317 1 534 . 1 1 95 95 LEU CA C 13 58.469 0.005 . 1 . . . . . 95 LEU CA . 27317 1 535 . 1 1 95 95 LEU CB C 13 40.907 0.003 . 1 . . . . . 95 LEU CB . 27317 1 536 . 1 1 95 95 LEU CG C 13 27.432 0.003 . 1 . . . . . 95 LEU CG . 27317 1 537 . 1 1 95 95 LEU CD1 C 13 23.013 0.000 . 1 . . . . . 95 LEU CD1 . 27317 1 538 . 1 1 95 95 LEU N N 15 120.609 0.002 . 1 . . . . . 95 LEU N . 27317 1 539 . 1 1 96 96 LYS C C 13 177.393 0.005 . 1 . . . . . 96 LYS C . 27317 1 540 . 1 1 96 96 LYS CA C 13 59.866 0.016 . 1 . . . . . 96 LYS CA . 27317 1 541 . 1 1 96 96 LYS CB C 13 32.083 0.007 . 1 . . . . . 96 LYS CB . 27317 1 542 . 1 1 96 96 LYS CG C 13 26.783 0.005 . 1 . . . . . 96 LYS CG . 27317 1 543 . 1 1 96 96 LYS CD C 13 29.480 0.009 . 1 . . . . . 96 LYS CD . 27317 1 544 . 1 1 96 96 LYS CE C 13 42.079 0.051 . 1 . . . . . 96 LYS CE . 27317 1 545 . 1 1 96 96 LYS N N 15 117.478 0.002 . 1 . . . . . 96 LYS N . 27317 1 546 . 1 1 96 96 LYS NZ N 15 33.525 0.000 . 1 . . . . . 96 LYS NZ . 27317 1 547 . 1 1 97 97 PHE C C 13 176.198 0.021 . 1 . . . . . 97 PHE C . 27317 1 548 . 1 1 97 97 PHE CA C 13 60.008 0.023 . 1 . . . . . 97 PHE CA . 27317 1 549 . 1 1 97 97 PHE CB C 13 39.341 0.019 . 1 . . . . . 97 PHE CB . 27317 1 550 . 1 1 97 97 PHE CD1 C 13 130.716 0.000 . 1 . . . . . 97 PHE CD1 . 27317 1 551 . 1 1 97 97 PHE CD2 C 13 130.716 0.000 . 1 . . . . . 97 PHE CD2 . 27317 1 552 . 1 1 97 97 PHE N N 15 117.141 0.001 . 1 . . . . . 97 PHE N . 27317 1 553 . 1 1 98 98 ARG C C 13 177.014 0.046 . 1 . . . . . 98 ARG C . 27317 1 554 . 1 1 98 98 ARG CA C 13 59.179 0.011 . 1 . . . . . 98 ARG CA . 27317 1 555 . 1 1 98 98 ARG CB C 13 30.639 0.009 . 1 . . . . . 98 ARG CB . 27317 1 556 . 1 1 98 98 ARG CG C 13 26.669 0.012 . 1 . . . . . 98 ARG CG . 27317 1 557 . 1 1 98 98 ARG CD C 13 45.066 0.023 . 1 . . . . . 98 ARG CD . 27317 1 558 . 1 1 98 98 ARG CZ C 13 159.578 0.007 . 1 . . . . . 98 ARG CZ . 27317 1 559 . 1 1 98 98 ARG N N 15 117.012 0.019 . 1 . . . . . 98 ARG N . 27317 1 560 . 1 1 98 98 ARG NE N 15 82.848 0.000 . 1 . . . . . 98 ARG NE . 27317 1 561 . 1 1 98 98 ARG NH1 N 15 72.985 0.000 . 1 . . . . . 98 ARG NH1 . 27317 1 562 . 1 1 99 99 GLN C C 13 176.951 0.093 . 1 . . . . . 99 GLN C . 27317 1 563 . 1 1 99 99 GLN CA C 13 59.040 0.046 . 1 . . . . . 99 GLN CA . 27317 1 564 . 1 1 99 99 GLN CB C 13 29.352 0.014 . 1 . . . . . 99 GLN CB . 27317 1 565 . 1 1 99 99 GLN CG C 13 26.513 0.000 . 1 . . . . . 99 GLN CG . 27317 1 566 . 1 1 99 99 GLN CD C 13 178.919 0.042 . 1 . . . . . 99 GLN CD . 27317 1 567 . 1 1 99 99 GLN N N 15 117.446 0.077 . 1 . . . . . 99 GLN N . 27317 1 568 . 1 1 100 100 LEU C C 13 180.026 0.013 . 1 . . . . . 100 LEU C . 27317 1 569 . 1 1 100 100 LEU CA C 13 59.581 0.028 . 1 . . . . . 100 LEU CA . 27317 1 570 . 1 1 100 100 LEU CB C 13 42.761 0.005 . 1 . . . . . 100 LEU CB . 27317 1 571 . 1 1 100 100 LEU CG C 13 28.037 0.012 . 1 . . . . . 100 LEU CG . 27317 1 572 . 1 1 100 100 LEU N N 15 120.386 0.003 . 1 . . . . . 100 LEU N . 27317 1 573 . 1 1 101 101 LEU C C 13 178.986 0.004 . 1 . . . . . 101 LEU C . 27317 1 574 . 1 1 101 101 LEU CA C 13 58.337 0.004 . 1 . . . . . 101 LEU CA . 27317 1 575 . 1 1 101 101 LEU CB C 13 42.396 0.004 . 1 . . . . . 101 LEU CB . 27317 1 576 . 1 1 101 101 LEU CG C 13 27.193 0.000 . 1 . . . . . 101 LEU CG . 27317 1 577 . 1 1 101 101 LEU CD1 C 13 26.721 0.000 . 1 . . . . . 101 LEU CD1 . 27317 1 578 . 1 1 101 101 LEU N N 15 119.867 0.056 . 1 . . . . . 101 LEU N . 27317 1 579 . 1 1 102 102 TRP C C 13 179.247 0.011 . 1 . . . . . 102 TRP C . 27317 1 580 . 1 1 102 102 TRP CA C 13 63.379 0.015 . 1 . . . . . 102 TRP CA . 27317 1 581 . 1 1 102 102 TRP CB C 13 29.435 0.044 . 1 . . . . . 102 TRP CB . 27317 1 582 . 1 1 102 102 TRP CG C 13 110.631 0.000 . 1 . . . . . 102 TRP CG . 27317 1 583 . 1 1 102 102 TRP CD1 C 13 124.719 0.000 . 1 . . . . . 102 TRP CD1 . 27317 1 584 . 1 1 102 102 TRP CD2 C 13 129.596 0.000 . 1 . . . . . 102 TRP CD2 . 27317 1 585 . 1 1 102 102 TRP N N 15 118.062 0.008 . 1 . . . . . 102 TRP N . 27317 1 586 . 1 1 103 103 PHE C C 13 177.203 0.020 . 1 . . . . . 103 PHE C . 27317 1 587 . 1 1 103 103 PHE CA C 13 62.439 0.013 . 1 . . . . . 103 PHE CA . 27317 1 588 . 1 1 103 103 PHE CB C 13 39.202 0.040 . 1 . . . . . 103 PHE CB . 27317 1 589 . 1 1 103 103 PHE CD1 C 13 127.194 0.000 . 1 . . . . . 103 PHE CD1 . 27317 1 590 . 1 1 103 103 PHE CD2 C 13 127.194 0.000 . 1 . . . . . 103 PHE CD2 . 27317 1 591 . 1 1 103 103 PHE N N 15 122.371 0.082 . 1 . . . . . 103 PHE N . 27317 1 592 . 1 1 104 104 HIS C C 13 178.214 0.034 . 1 . . . . . 104 HIS C . 27317 1 593 . 1 1 104 104 HIS CA C 13 61.238 0.005 . 1 . . . . . 104 HIS CA . 27317 1 594 . 1 1 104 104 HIS CB C 13 31.711 0.031 . 1 . . . . . 104 HIS CB . 27317 1 595 . 1 1 104 104 HIS CG C 13 129.422 0.000 . 1 . . . . . 104 HIS CG . 27317 1 596 . 1 1 104 104 HIS CD2 C 13 116.996 0.000 . 1 . . . . . 104 HIS CD2 . 27317 1 597 . 1 1 104 104 HIS CE1 C 13 136.939 0.030 . 1 . . . . . 104 HIS CE1 . 27317 1 598 . 1 1 104 104 HIS N N 15 118.461 0.004 . 1 . . . . . 104 HIS N . 27317 1 599 . 1 1 105 105 ILE C C 13 179.191 0.017 . 1 . . . . . 105 ILE C . 27317 1 600 . 1 1 105 105 ILE CA C 13 65.390 0.008 . 1 . . . . . 105 ILE CA . 27317 1 601 . 1 1 105 105 ILE CB C 13 37.551 0.022 . 1 . . . . . 105 ILE CB . 27317 1 602 . 1 1 105 105 ILE CG1 C 13 29.757 0.007 . 1 . . . . . 105 ILE CG1 . 27317 1 603 . 1 1 105 105 ILE CG2 C 13 17.168 0.039 . 1 . . . . . 105 ILE CG2 . 27317 1 604 . 1 1 105 105 ILE CD1 C 13 15.255 0.000 . 1 . . . . . 105 ILE CD1 . 27317 1 605 . 1 1 105 105 ILE N N 15 118.244 0.036 . 1 . . . . . 105 ILE N . 27317 1 606 . 1 1 106 106 SER C C 13 175.335 0.004 . 1 . . . . . 106 SER C . 27317 1 607 . 1 1 106 106 SER CA C 13 62.875 0.002 . 1 . . . . . 106 SER CA . 27317 1 608 . 1 1 106 106 SER CB C 13 61.340 0.009 . 1 . . . . . 106 SER CB . 27317 1 609 . 1 1 106 106 SER N N 15 117.842 0.002 . 1 . . . . . 106 SER N . 27317 1 610 . 1 1 107 107 CYS C C 13 177.499 0.013 . 1 . . . . . 107 CYS C . 27317 1 611 . 1 1 107 107 CYS CA C 13 64.093 0.006 . 1 . . . . . 107 CYS CA . 27317 1 612 . 1 1 107 107 CYS CB C 13 26.670 0.003 . 1 . . . . . 107 CYS CB . 27317 1 613 . 1 1 107 107 CYS N N 15 121.618 0.030 . 1 . . . . . 107 CYS N . 27317 1 614 . 1 1 108 108 LEU C C 13 177.913 0.017 . 1 . . . . . 108 LEU C . 27317 1 615 . 1 1 108 108 LEU CA C 13 57.059 0.014 . 1 . . . . . 108 LEU CA . 27317 1 616 . 1 1 108 108 LEU CB C 13 42.415 0.008 . 1 . . . . . 108 LEU CB . 27317 1 617 . 1 1 108 108 LEU CG C 13 25.642 0.042 . 1 . . . . . 108 LEU CG . 27317 1 618 . 1 1 108 108 LEU CD1 C 13 22.911 0.009 . 1 . . . . . 108 LEU CD1 . 27317 1 619 . 1 1 108 108 LEU N N 15 118.300 0.001 . 1 . . . . . 108 LEU N . 27317 1 620 . 1 1 109 109 THR C C 13 174.416 0.029 . 1 . . . . . 109 THR C . 27317 1 621 . 1 1 109 109 THR CA C 13 65.233 0.008 . 1 . . . . . 109 THR CA . 27317 1 622 . 1 1 109 109 THR CB C 13 69.643 0.023 . 1 . . . . . 109 THR CB . 27317 1 623 . 1 1 109 109 THR CG2 C 13 20.803 0.005 . 1 . . . . . 109 THR CG2 . 27317 1 624 . 1 1 109 109 THR N N 15 113.156 0.005 . 1 . . . . . 109 THR N . 27317 1 625 . 1 1 110 110 PHE C C 13 175.446 0.027 . 1 . . . . . 110 PHE C . 27317 1 626 . 1 1 110 110 PHE CA C 13 58.728 0.035 . 1 . . . . . 110 PHE CA . 27317 1 627 . 1 1 110 110 PHE CB C 13 40.397 0.007 . 1 . . . . . 110 PHE CB . 27317 1 628 . 1 1 110 110 PHE CG C 13 139.026 0.000 . 1 . . . . . 110 PHE CG . 27317 1 629 . 1 1 110 110 PHE N N 15 115.031 0.017 . 1 . . . . . 110 PHE N . 27317 1 630 . 1 1 111 111 GLY C C 13 174.136 0.002 . 1 . . . . . 111 GLY C . 27317 1 631 . 1 1 111 111 GLY CA C 13 44.213 0.014 . 1 . . . . . 111 GLY CA . 27317 1 632 . 1 1 111 111 GLY N N 15 110.427 0.011 . 1 . . . . . 111 GLY N . 27317 1 633 . 1 1 112 112 ARG C C 13 177.624 0.012 . 1 . . . . . 112 ARG C . 27317 1 634 . 1 1 112 112 ARG CA C 13 59.633 0.021 . 1 . . . . . 112 ARG CA . 27317 1 635 . 1 1 112 112 ARG CB C 13 31.390 0.030 . 1 . . . . . 112 ARG CB . 27317 1 636 . 1 1 112 112 ARG CG C 13 26.258 0.011 . 1 . . . . . 112 ARG CG . 27317 1 637 . 1 1 112 112 ARG CD C 13 44.143 0.002 . 1 . . . . . 112 ARG CD . 27317 1 638 . 1 1 112 112 ARG CZ C 13 159.633 0.001 . 1 . . . . . 112 ARG CZ . 27317 1 639 . 1 1 112 112 ARG N N 15 126.170 0.039 . 1 . . . . . 112 ARG N . 27317 1 640 . 1 1 112 112 ARG NE N 15 83.648 0.014 . 1 . . . . . 112 ARG NE . 27317 1 641 . 1 1 112 112 ARG NH1 N 15 72.741 0.000 . 1 . . . . . 112 ARG NH1 . 27317 1 642 . 1 1 113 113 GLU C C 13 179.051 0.007 . 1 . . . . . 113 GLU C . 27317 1 643 . 1 1 113 113 GLU CA C 13 60.645 0.010 . 1 . . . . . 113 GLU CA . 27317 1 644 . 1 1 113 113 GLU CB C 13 28.303 0.022 . 1 . . . . . 113 GLU CB . 27317 1 645 . 1 1 113 113 GLU CG C 13 37.378 0.003 . 1 . . . . . 113 GLU CG . 27317 1 646 . 1 1 113 113 GLU CD C 13 184.209 0.000 . 1 . . . . . 113 GLU CD . 27317 1 647 . 1 1 113 113 GLU N N 15 117.014 0.005 . 1 . . . . . 113 GLU N . 27317 1 648 . 1 1 114 114 THR C C 13 176.475 0.001 . 1 . . . . . 114 THR C . 27317 1 649 . 1 1 114 114 THR CA C 13 65.819 0.021 . 1 . . . . . 114 THR CA . 27317 1 650 . 1 1 114 114 THR CB C 13 68.333 0.016 . 1 . . . . . 114 THR CB . 27317 1 651 . 1 1 114 114 THR CG2 C 13 22.536 0.019 . 1 . . . . . 114 THR CG2 . 27317 1 652 . 1 1 114 114 THR N N 15 116.521 0.014 . 1 . . . . . 114 THR N . 27317 1 653 . 1 1 115 115 VAL C C 13 177.047 0.007 . 1 . . . . . 115 VAL C . 27317 1 654 . 1 1 115 115 VAL CA C 13 67.150 0.012 . 1 . . . . . 115 VAL CA . 27317 1 655 . 1 1 115 115 VAL CB C 13 30.799 0.043 . 1 . . . . . 115 VAL CB . 27317 1 656 . 1 1 115 115 VAL CG1 C 13 24.131 0.011 . 2 . . . . . 115 VAL CG1 . 27317 1 657 . 1 1 115 115 VAL CG2 C 13 21.432 0.006 . 2 . . . . . 115 VAL CG2 . 27317 1 658 . 1 1 115 115 VAL N N 15 123.233 0.142 . 1 . . . . . 115 VAL N . 27317 1 659 . 1 1 116 116 ILE C C 13 177.899 0.101 . 1 . . . . . 116 ILE C . 27317 1 660 . 1 1 116 116 ILE CA C 13 65.564 0.018 . 1 . . . . . 116 ILE CA . 27317 1 661 . 1 1 116 116 ILE CB C 13 36.779 0.019 . 1 . . . . . 116 ILE CB . 27317 1 662 . 1 1 116 116 ILE CG1 C 13 29.435 0.035 . 1 . . . . . 116 ILE CG1 . 27317 1 663 . 1 1 116 116 ILE CG2 C 13 17.274 0.025 . 1 . . . . . 116 ILE CG2 . 27317 1 664 . 1 1 116 116 ILE CD1 C 13 12.252 0.000 . 1 . . . . . 116 ILE CD1 . 27317 1 665 . 1 1 116 116 ILE N N 15 120.645 0.009 . 1 . . . . . 116 ILE N . 27317 1 666 . 1 1 117 117 GLU C C 13 178.982 0.013 . 1 . . . . . 117 GLU C . 27317 1 667 . 1 1 117 117 GLU CA C 13 59.075 0.010 . 1 . . . . . 117 GLU CA . 27317 1 668 . 1 1 117 117 GLU CB C 13 29.352 0.019 . 1 . . . . . 117 GLU CB . 27317 1 669 . 1 1 117 117 GLU CD C 13 183.572 0.000 . 1 . . . . . 117 GLU CD . 27317 1 670 . 1 1 117 117 GLU N N 15 117.220 0.006 . 1 . . . . . 117 GLU N . 27317 1 671 . 1 1 118 118 TYR C C 13 176.066 0.000 . 1 . . . . . 118 TYR C . 27317 1 672 . 1 1 118 118 TYR CA C 13 61.849 0.039 . 1 . . . . . 118 TYR CA . 27317 1 673 . 1 1 118 118 TYR CB C 13 38.157 0.000 . 1 . . . . . 118 TYR CB . 27317 1 674 . 1 1 118 118 TYR CD1 C 13 131.227 0.000 . 1 . . . . . 118 TYR CD1 . 27317 1 675 . 1 1 118 118 TYR CD2 C 13 131.227 0.000 . 1 . . . . . 118 TYR CD2 . 27317 1 676 . 1 1 118 118 TYR N N 15 121.728 0.073 . 1 . . . . . 118 TYR N . 27317 1 677 . 1 1 119 119 LEU C C 13 178.561 0.007 . 1 . . . . . 119 LEU C . 27317 1 678 . 1 1 119 119 LEU CA C 13 58.843 0.024 . 1 . . . . . 119 LEU CA . 27317 1 679 . 1 1 119 119 LEU CB C 13 41.793 0.008 . 1 . . . . . 119 LEU CB . 27317 1 680 . 1 1 119 119 LEU CG C 13 26.953 0.004 . 1 . . . . . 119 LEU CG . 27317 1 681 . 1 1 119 119 LEU N N 15 119.857 0.017 . 1 . . . . . 119 LEU N . 27317 1 682 . 1 1 120 120 VAL C C 13 177.352 0.003 . 1 . . . . . 120 VAL C . 27317 1 683 . 1 1 120 120 VAL CA C 13 66.615 0.012 . 1 . . . . . 120 VAL CA . 27317 1 684 . 1 1 120 120 VAL CB C 13 31.929 0.004 . 1 . . . . . 120 VAL CB . 27317 1 685 . 1 1 120 120 VAL CG1 C 13 22.120 0.003 . 2 . . . . . 120 VAL CG1 . 27317 1 686 . 1 1 120 120 VAL CG2 C 13 20.902 0.006 . 2 . . . . . 120 VAL CG2 . 27317 1 687 . 1 1 120 120 VAL N N 15 114.937 0.033 . 1 . . . . . 120 VAL N . 27317 1 688 . 1 1 121 121 SER C C 13 176.820 0.028 . 1 . . . . . 121 SER C . 27317 1 689 . 1 1 121 121 SER CA C 13 62.580 0.010 . 1 . . . . . 121 SER CA . 27317 1 690 . 1 1 121 121 SER CB C 13 63.263 0.005 . 1 . . . . . 121 SER CB . 27317 1 691 . 1 1 121 121 SER N N 15 117.534 0.004 . 1 . . . . . 121 SER N . 27317 1 692 . 1 1 122 122 PHE C C 13 177.166 0.002 . 1 . . . . . 122 PHE C . 27317 1 693 . 1 1 122 122 PHE CA C 13 61.911 0.012 . 1 . . . . . 122 PHE CA . 27317 1 694 . 1 1 122 122 PHE CB C 13 38.659 0.006 . 1 . . . . . 122 PHE CB . 27317 1 695 . 1 1 122 122 PHE CD1 C 13 131.659 0.000 . 1 . . . . . 122 PHE CD1 . 27317 1 696 . 1 1 122 122 PHE CD2 C 13 131.659 0.000 . 1 . . . . . 122 PHE CD2 . 27317 1 697 . 1 1 122 122 PHE N N 15 126.634 0.012 . 1 . . . . . 122 PHE N . 27317 1 698 . 1 1 123 123 GLY C C 13 174.171 0.002 . 1 . . . . . 123 GLY C . 27317 1 699 . 1 1 123 123 GLY CA C 13 47.008 0.029 . 1 . . . . . 123 GLY CA . 27317 1 700 . 1 1 123 123 GLY N N 15 105.742 0.067 . 1 . . . . . 123 GLY N . 27317 1 701 . 1 1 124 124 VAL C C 13 178.092 0.004 . 1 . . . . . 124 VAL C . 27317 1 702 . 1 1 124 124 VAL CA C 13 66.478 0.035 . 1 . . . . . 124 VAL CA . 27317 1 703 . 1 1 124 124 VAL CB C 13 31.929 0.008 . 1 . . . . . 124 VAL CB . 27317 1 704 . 1 1 124 124 VAL CG1 C 13 22.751 0.000 . 2 . . . . . 124 VAL CG1 . 27317 1 705 . 1 1 124 124 VAL CG2 C 13 21.237 0.003 . 2 . . . . . 124 VAL CG2 . 27317 1 706 . 1 1 124 124 VAL N N 15 118.449 0.008 . 1 . . . . . 124 VAL N . 27317 1 707 . 1 1 125 125 TRP C C 13 177.422 0.001 . 1 . . . . . 125 TRP C . 27317 1 708 . 1 1 125 125 TRP CA C 13 63.516 0.005 . 1 . . . . . 125 TRP CA . 27317 1 709 . 1 1 125 125 TRP CB C 13 28.858 0.002 . 1 . . . . . 125 TRP CB . 27317 1 710 . 1 1 125 125 TRP CG C 13 110.798 0.000 . 1 . . . . . 125 TRP CG . 27317 1 711 . 1 1 125 125 TRP CD1 C 13 125.529 0.000 . 1 . . . . . 125 TRP CD1 . 27317 1 712 . 1 1 125 125 TRP CD2 C 13 124.098 0.000 . 1 . . . . . 125 TRP CD2 . 27317 1 713 . 1 1 125 125 TRP CE3 C 13 119.871 0.000 . 1 . . . . . 125 TRP CE3 . 27317 1 714 . 1 1 125 125 TRP N N 15 121.358 0.018 . 1 . . . . . 125 TRP N . 27317 1 715 . 1 1 127 127 ARG C C 13 176.462 0.000 . 1 . . . . . 127 ARG C . 27317 1 716 . 1 1 127 127 ARG CA C 13 55.805 0.000 . 1 . . . . . 127 ARG CA . 27317 1 717 . 1 1 127 127 ARG CB C 13 30.414 0.000 . 1 . . . . . 127 ARG CB . 27317 1 718 . 1 1 128 128 THR C C 13 171.580 0.020 . 1 . . . . . 128 THR C . 27317 1 719 . 1 1 128 128 THR CA C 13 61.068 0.046 . 1 . . . . . 128 THR CA . 27317 1 720 . 1 1 128 128 THR CB C 13 69.681 0.007 . 1 . . . . . 128 THR CB . 27317 1 721 . 1 1 128 128 THR CG2 C 13 18.843 0.010 . 1 . . . . . 128 THR CG2 . 27317 1 722 . 1 1 128 128 THR N N 15 120.969 0.016 . 1 . . . . . 128 THR N . 27317 1 723 . 1 1 129 129 PRO C C 13 175.283 0.054 . 1 . . . . . 129 PRO C . 27317 1 724 . 1 1 129 129 PRO CA C 13 61.400 0.030 . 1 . . . . . 129 PRO CA . 27317 1 725 . 1 1 129 129 PRO CB C 13 31.510 0.013 . 1 . . . . . 129 PRO CB . 27317 1 726 . 1 1 129 129 PRO CG C 13 28.018 0.037 . 1 . . . . . 129 PRO CG . 27317 1 727 . 1 1 129 129 PRO CD C 13 52.007 0.014 . 1 . . . . . 129 PRO CD . 27317 1 728 . 1 1 129 129 PRO N N 15 143.287 0.010 . 1 . . . . . 129 PRO N . 27317 1 729 . 1 1 130 130 PRO C C 13 177.657 0.039 . 1 . . . . . 130 PRO C . 27317 1 730 . 1 1 130 130 PRO CA C 13 65.345 0.038 . 1 . . . . . 130 PRO CA . 27317 1 731 . 1 1 130 130 PRO CB C 13 31.992 0.020 . 1 . . . . . 130 PRO CB . 27317 1 732 . 1 1 130 130 PRO CG C 13 27.239 0.005 . 1 . . . . . 130 PRO CG . 27317 1 733 . 1 1 130 130 PRO CD C 13 50.393 0.029 . 1 . . . . . 130 PRO CD . 27317 1 734 . 1 1 130 130 PRO N N 15 133.722 0.047 . 1 . . . . . 130 PRO N . 27317 1 735 . 1 1 131 131 ALA C C 13 178.185 0.062 . 1 . . . . . 131 ALA C . 27317 1 736 . 1 1 131 131 ALA CA C 13 54.177 0.029 . 1 . . . . . 131 ALA CA . 27317 1 737 . 1 1 131 131 ALA CB C 13 17.955 0.007 . 1 . . . . . 131 ALA CB . 27317 1 738 . 1 1 131 131 ALA N N 15 117.698 0.002 . 1 . . . . . 131 ALA N . 27317 1 739 . 1 1 132 132 TYR C C 13 172.785 0.014 . 1 . . . . . 132 TYR C . 27317 1 740 . 1 1 132 132 TYR CA C 13 55.308 0.005 . 1 . . . . . 132 TYR CA . 27317 1 741 . 1 1 132 132 TYR CB C 13 39.139 0.000 . 1 . . . . . 132 TYR CB . 27317 1 742 . 1 1 132 132 TYR CD1 C 13 130.845 0.000 . 1 . . . . . 132 TYR CD1 . 27317 1 743 . 1 1 132 132 TYR CD2 C 13 130.845 0.000 . 1 . . . . . 132 TYR CD2 . 27317 1 744 . 1 1 132 132 TYR N N 15 112.917 0.019 . 1 . . . . . 132 TYR N . 27317 1 745 . 1 1 134 134 PRO C C 13 175.610 0.000 . 1 . . . . . 134 PRO C . 27317 1 746 . 1 1 134 134 PRO CA C 13 61.498 0.000 . 1 . . . . . 134 PRO CA . 27317 1 747 . 1 1 135 135 PRO C C 13 177.310 0.052 . 1 . . . . . 135 PRO C . 27317 1 748 . 1 1 135 135 PRO CA C 13 64.575 0.004 . 1 . . . . . 135 PRO CA . 27317 1 749 . 1 1 135 135 PRO CB C 13 32.088 0.000 . 1 . . . . . 135 PRO CB . 27317 1 750 . 1 1 135 135 PRO CG C 13 27.150 0.000 . 1 . . . . . 135 PRO CG . 27317 1 751 . 1 1 135 135 PRO CD C 13 50.341 0.002 . 1 . . . . . 135 PRO CD . 27317 1 752 . 1 1 135 135 PRO N N 15 133.501 0.011 . 1 . . . . . 135 PRO N . 27317 1 753 . 1 1 136 136 ASN C C 13 172.692 0.000 . 1 . . . . . 136 ASN C . 27317 1 754 . 1 1 136 136 ASN CA C 13 51.512 0.029 . 1 . . . . . 136 ASN CA . 27317 1 755 . 1 1 136 136 ASN CB C 13 38.996 0.028 . 1 . . . . . 136 ASN CB . 27317 1 756 . 1 1 136 136 ASN CG C 13 176.667 0.005 . 1 . . . . . 136 ASN CG . 27317 1 757 . 1 1 136 136 ASN N N 15 114.891 0.019 . 1 . . . . . 136 ASN N . 27317 1 758 . 1 1 137 137 ALA C C 13 174.908 0.000 . 1 . . . . . 137 ALA C . 27317 1 759 . 1 1 137 137 ALA CA C 13 49.304 0.007 . 1 . . . . . 137 ALA CA . 27317 1 760 . 1 1 137 137 ALA CB C 13 17.601 0.019 . 1 . . . . . 137 ALA CB . 27317 1 761 . 1 1 137 137 ALA N N 15 127.427 0.015 . 1 . . . . . 137 ALA N . 27317 1 762 . 1 1 138 138 PRO C C 13 176.247 0.005 . 1 . . . . . 138 PRO C . 27317 1 763 . 1 1 138 138 PRO CA C 13 62.401 0.014 . 1 . . . . . 138 PRO CA . 27317 1 764 . 1 1 138 138 PRO CB C 13 31.611 0.283 . 1 . . . . . 138 PRO CB . 27317 1 765 . 1 1 138 138 PRO CG C 13 27.210 0.103 . 1 . . . . . 138 PRO CG . 27317 1 766 . 1 1 138 138 PRO CD C 13 49.228 0.035 . 1 . . . . . 138 PRO CD . 27317 1 767 . 1 1 138 138 PRO N N 15 133.365 0.104 . 1 . . . . . 138 PRO N . 27317 1 768 . 1 1 139 139 ILE C C 13 174.856 0.017 . 1 . . . . . 139 ILE C . 27317 1 769 . 1 1 139 139 ILE CA C 13 59.507 0.010 . 1 . . . . . 139 ILE CA . 27317 1 770 . 1 1 139 139 ILE CB C 13 41.147 0.001 . 1 . . . . . 139 ILE CB . 27317 1 771 . 1 1 139 139 ILE N N 15 123.080 0.007 . 1 . . . . . 139 ILE N . 27317 1 stop_ save_