data_51186 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51186 _Entry.Title ; Backbone chemical shifts of PreS domain from hepatitis B virus envelope protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-23 _Entry.Accession_date 2021-11-23 _Entry.Last_release_date 2021-11-23 _Entry.Original_release_date 2021-11-23 _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 solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H 13C 15N backbone solution NMR chemical shifts of PreS domain from the large envelope protein of hepatitis B virus' _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 . . . . 51186 2 Marie-Laure Fogeron . . . . 51186 3 Laura Cole . . . . 51186 4 Roland Montserret . . . . 51186 5 Guillaume David . . . . 51186 6 Adeline Page . . . . 51186 7 Frederic Delolme . . . . 51186 8 Michael Nassal . . . . 51186 9 Anja Bockmann . . . . 51186 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 (MMSB), CNRS, France' . 51186 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51186 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 51186 '15N chemical shifts' 140 51186 '1H chemical shifts' 143 51186 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 . . 2022-03-28 2021-11-23 update BMRB 'update entry citation' 51186 1 . . 2022-02-23 2021-11-23 original author 'original release' 51186 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51186 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35282608 _Citation.DOI 10.3389/fmolb.2021.821755 _Citation.Full_citation . _Citation.Title ; Phosphorylation of the Hepatitis B Virus Large Envelope Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Frontiers Mol. Bio.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _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 821755 _Citation.Page_last 821755 _Citation.Year 2022 _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 Marie-Laure Fogeron . . . . 51186 1 2 Lauriane Lecoq . . . . 51186 1 3 Laura Cole . . . . 51186 1 4 Roland Montserret . . . . 51186 1 5 Guillaume David . . . . 51186 1 6 Adeline Page . . . . 51186 1 7 Frederic Delolme . . . . 51186 1 8 Michael Nassal . . . . 51186 1 9 Anja Bockmann . . . . 51186 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'envelope protein' 51186 1 'hepatitis B virus' 51186 1 phosphorylation 51186 1 preS 51186 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51186 _Assembly.ID 1 _Assembly.Name preS _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 18430 _Assembly.Enzyme_commission_number . _Assembly.Details monomer _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 preS 1 $entity_1 . . yes native no no . . . 51186 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51186 _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 ; GQNLSTSNPLGFFPDHQLDP AFRANTANPDWDFNPNKDTW PDANKVGAGAFGLGFTPPHG GLLGWSPQAQGILQTLPANP PPASTNRQSGRQPTPLSPPL RNTHPQAMQWNSTTFHQTLQ DPRVRGLYFPAGGSSSGTVN PVLTTASPLSSIFSRIGDPA LNASWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Start from residue number 2' _Entity.Polymer_author_seq_details 'StreptagII in Cter: ASWSHPQFEK' _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Residues 1-163 from Large envelope protein L-HBsAg' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18430 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'UniprotKB number: Q2F515' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'mediates the contact with the nucleocapsid' 51186 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 2 GLY . 51186 1 2 3 GLN . 51186 1 3 4 ASN . 51186 1 4 5 LEU . 51186 1 5 6 SER . 51186 1 6 7 THR . 51186 1 7 8 SER . 51186 1 8 9 ASN . 51186 1 9 10 PRO . 51186 1 10 11 LEU . 51186 1 11 12 GLY . 51186 1 12 13 PHE . 51186 1 13 14 PHE . 51186 1 14 15 PRO . 51186 1 15 16 ASP . 51186 1 16 17 HIS . 51186 1 17 18 GLN . 51186 1 18 19 LEU . 51186 1 19 20 ASP . 51186 1 20 21 PRO . 51186 1 21 22 ALA . 51186 1 22 23 PHE . 51186 1 23 24 ARG . 51186 1 24 25 ALA . 51186 1 25 26 ASN . 51186 1 26 27 THR . 51186 1 27 28 ALA . 51186 1 28 29 ASN . 51186 1 29 30 PRO . 51186 1 30 31 ASP . 51186 1 31 32 TRP . 51186 1 32 33 ASP . 51186 1 33 34 PHE . 51186 1 34 35 ASN . 51186 1 35 36 PRO . 51186 1 36 37 ASN . 51186 1 37 38 LYS . 51186 1 38 39 ASP . 51186 1 39 40 THR . 51186 1 40 41 TRP . 51186 1 41 42 PRO . 51186 1 42 43 ASP . 51186 1 43 44 ALA . 51186 1 44 45 ASN . 51186 1 45 46 LYS . 51186 1 46 47 VAL . 51186 1 47 48 GLY . 51186 1 48 49 ALA . 51186 1 49 50 GLY . 51186 1 50 51 ALA . 51186 1 51 52 PHE . 51186 1 52 53 GLY . 51186 1 53 54 LEU . 51186 1 54 55 GLY . 51186 1 55 56 PHE . 51186 1 56 57 THR . 51186 1 57 58 PRO . 51186 1 58 59 PRO . 51186 1 59 60 HIS . 51186 1 60 61 GLY . 51186 1 61 62 GLY . 51186 1 62 63 LEU . 51186 1 63 64 LEU . 51186 1 64 65 GLY . 51186 1 65 66 TRP . 51186 1 66 67 SER . 51186 1 67 68 PRO . 51186 1 68 69 GLN . 51186 1 69 70 ALA . 51186 1 70 71 GLN . 51186 1 71 72 GLY . 51186 1 72 73 ILE . 51186 1 73 74 LEU . 51186 1 74 75 GLN . 51186 1 75 76 THR . 51186 1 76 77 LEU . 51186 1 77 78 PRO . 51186 1 78 79 ALA . 51186 1 79 80 ASN . 51186 1 80 81 PRO . 51186 1 81 82 PRO . 51186 1 82 83 PRO . 51186 1 83 84 ALA . 51186 1 84 85 SER . 51186 1 85 86 THR . 51186 1 86 87 ASN . 51186 1 87 88 ARG . 51186 1 88 89 GLN . 51186 1 89 90 SER . 51186 1 90 91 GLY . 51186 1 91 92 ARG . 51186 1 92 93 GLN . 51186 1 93 94 PRO . 51186 1 94 95 THR . 51186 1 95 96 PRO . 51186 1 96 97 LEU . 51186 1 97 98 SER . 51186 1 98 99 PRO . 51186 1 99 100 PRO . 51186 1 100 101 LEU . 51186 1 101 102 ARG . 51186 1 102 103 ASN . 51186 1 103 104 THR . 51186 1 104 105 HIS . 51186 1 105 106 PRO . 51186 1 106 107 GLN . 51186 1 107 108 ALA . 51186 1 108 109 MET . 51186 1 109 110 GLN . 51186 1 110 111 TRP . 51186 1 111 112 ASN . 51186 1 112 113 SER . 51186 1 113 114 THR . 51186 1 114 115 THR . 51186 1 115 116 PHE . 51186 1 116 117 HIS . 51186 1 117 118 GLN . 51186 1 118 119 THR . 51186 1 119 120 LEU . 51186 1 120 121 GLN . 51186 1 121 122 ASP . 51186 1 122 123 PRO . 51186 1 123 124 ARG . 51186 1 124 125 VAL . 51186 1 125 126 ARG . 51186 1 126 127 GLY . 51186 1 127 128 LEU . 51186 1 128 129 TYR . 51186 1 129 130 PHE . 51186 1 130 131 PRO . 51186 1 131 132 ALA . 51186 1 132 133 GLY . 51186 1 133 134 GLY . 51186 1 134 135 SER . 51186 1 135 136 SER . 51186 1 136 137 SER . 51186 1 137 138 GLY . 51186 1 138 139 THR . 51186 1 139 140 VAL . 51186 1 140 141 ASN . 51186 1 141 142 PRO . 51186 1 142 143 VAL . 51186 1 143 144 LEU . 51186 1 144 145 THR . 51186 1 145 146 THR . 51186 1 146 147 ALA . 51186 1 147 148 SER . 51186 1 148 149 PRO . 51186 1 149 150 LEU . 51186 1 150 151 SER . 51186 1 151 152 SER . 51186 1 152 153 ILE . 51186 1 153 154 PHE . 51186 1 154 155 SER . 51186 1 155 156 ARG . 51186 1 156 157 ILE . 51186 1 157 158 GLY . 51186 1 158 159 ASP . 51186 1 159 160 PRO . 51186 1 160 161 ALA . 51186 1 161 162 LEU . 51186 1 162 163 ASN . 51186 1 163 164 ALA . 51186 1 164 165 SER . 51186 1 165 166 TRP . 51186 1 166 167 SER . 51186 1 167 168 HIS . 51186 1 168 169 PRO . 51186 1 169 170 GLN . 51186 1 170 171 PHE . 51186 1 171 172 GLU . 51186 1 172 173 LYS . 51186 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51186 1 . GLN 2 2 51186 1 . ASN 3 3 51186 1 . LEU 4 4 51186 1 . SER 5 5 51186 1 . THR 6 6 51186 1 . SER 7 7 51186 1 . ASN 8 8 51186 1 . PRO 9 9 51186 1 . LEU 10 10 51186 1 . GLY 11 11 51186 1 . PHE 12 12 51186 1 . PHE 13 13 51186 1 . PRO 14 14 51186 1 . ASP 15 15 51186 1 . HIS 16 16 51186 1 . GLN 17 17 51186 1 . LEU 18 18 51186 1 . ASP 19 19 51186 1 . PRO 20 20 51186 1 . ALA 21 21 51186 1 . PHE 22 22 51186 1 . ARG 23 23 51186 1 . ALA 24 24 51186 1 . ASN 25 25 51186 1 . THR 26 26 51186 1 . ALA 27 27 51186 1 . ASN 28 28 51186 1 . PRO 29 29 51186 1 . ASP 30 30 51186 1 . TRP 31 31 51186 1 . ASP 32 32 51186 1 . PHE 33 33 51186 1 . ASN 34 34 51186 1 . PRO 35 35 51186 1 . ASN 36 36 51186 1 . LYS 37 37 51186 1 . ASP 38 38 51186 1 . THR 39 39 51186 1 . TRP 40 40 51186 1 . PRO 41 41 51186 1 . ASP 42 42 51186 1 . ALA 43 43 51186 1 . ASN 44 44 51186 1 . LYS 45 45 51186 1 . VAL 46 46 51186 1 . GLY 47 47 51186 1 . ALA 48 48 51186 1 . GLY 49 49 51186 1 . ALA 50 50 51186 1 . PHE 51 51 51186 1 . GLY 52 52 51186 1 . LEU 53 53 51186 1 . GLY 54 54 51186 1 . PHE 55 55 51186 1 . THR 56 56 51186 1 . PRO 57 57 51186 1 . PRO 58 58 51186 1 . HIS 59 59 51186 1 . GLY 60 60 51186 1 . GLY 61 61 51186 1 . LEU 62 62 51186 1 . LEU 63 63 51186 1 . GLY 64 64 51186 1 . TRP 65 65 51186 1 . SER 66 66 51186 1 . PRO 67 67 51186 1 . GLN 68 68 51186 1 . ALA 69 69 51186 1 . GLN 70 70 51186 1 . GLY 71 71 51186 1 . ILE 72 72 51186 1 . LEU 73 73 51186 1 . GLN 74 74 51186 1 . THR 75 75 51186 1 . LEU 76 76 51186 1 . PRO 77 77 51186 1 . ALA 78 78 51186 1 . ASN 79 79 51186 1 . PRO 80 80 51186 1 . PRO 81 81 51186 1 . PRO 82 82 51186 1 . ALA 83 83 51186 1 . SER 84 84 51186 1 . THR 85 85 51186 1 . ASN 86 86 51186 1 . ARG 87 87 51186 1 . GLN 88 88 51186 1 . SER 89 89 51186 1 . GLY 90 90 51186 1 . ARG 91 91 51186 1 . GLN 92 92 51186 1 . PRO 93 93 51186 1 . THR 94 94 51186 1 . PRO 95 95 51186 1 . LEU 96 96 51186 1 . SER 97 97 51186 1 . PRO 98 98 51186 1 . PRO 99 99 51186 1 . LEU 100 100 51186 1 . ARG 101 101 51186 1 . ASN 102 102 51186 1 . THR 103 103 51186 1 . HIS 104 104 51186 1 . PRO 105 105 51186 1 . GLN 106 106 51186 1 . ALA 107 107 51186 1 . MET 108 108 51186 1 . GLN 109 109 51186 1 . TRP 110 110 51186 1 . ASN 111 111 51186 1 . SER 112 112 51186 1 . THR 113 113 51186 1 . THR 114 114 51186 1 . PHE 115 115 51186 1 . HIS 116 116 51186 1 . GLN 117 117 51186 1 . THR 118 118 51186 1 . LEU 119 119 51186 1 . GLN 120 120 51186 1 . ASP 121 121 51186 1 . PRO 122 122 51186 1 . ARG 123 123 51186 1 . VAL 124 124 51186 1 . ARG 125 125 51186 1 . GLY 126 126 51186 1 . LEU 127 127 51186 1 . TYR 128 128 51186 1 . PHE 129 129 51186 1 . PRO 130 130 51186 1 . ALA 131 131 51186 1 . GLY 132 132 51186 1 . GLY 133 133 51186 1 . SER 134 134 51186 1 . SER 135 135 51186 1 . SER 136 136 51186 1 . GLY 137 137 51186 1 . THR 138 138 51186 1 . VAL 139 139 51186 1 . ASN 140 140 51186 1 . PRO 141 141 51186 1 . VAL 142 142 51186 1 . LEU 143 143 51186 1 . THR 144 144 51186 1 . THR 145 145 51186 1 . ALA 146 146 51186 1 . SER 147 147 51186 1 . PRO 148 148 51186 1 . LEU 149 149 51186 1 . SER 150 150 51186 1 . SER 151 151 51186 1 . ILE 152 152 51186 1 . PHE 153 153 51186 1 . SER 154 154 51186 1 . ARG 155 155 51186 1 . ILE 156 156 51186 1 . GLY 157 157 51186 1 . ASP 158 158 51186 1 . PRO 159 159 51186 1 . ALA 160 160 51186 1 . LEU 161 161 51186 1 . ASN 162 162 51186 1 . ALA 163 163 51186 1 . SER 164 164 51186 1 . TRP 165 165 51186 1 . SER 166 166 51186 1 . HIS 167 167 51186 1 . PRO 168 168 51186 1 . GLN 169 169 51186 1 . PHE 170 170 51186 1 . GLU 171 171 51186 1 . LYS 172 172 51186 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 51186 _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 . . . . . . . . . . . . . 51186 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 51186 _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(DE3) . . plasmid . . pRSF_T7-H6-GB1-ENLYFQG-preS-Strep-tag-II . . . 51186 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51186 _Sample.ID 1 _Sample.Name preS_50uM _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C15N labeling' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 preS '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 50 . . uM . . . . 51186 1 2 'PO4 buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 51186 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51186 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 51186 _Sample_condition_list.ID 1 _Sample_condition_list.Name preS_PO4 _Sample_condition_list.Details '20 mM PO4 buffer pH 6, 50 mM NaCl' 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 51186 1 pH 6 . pH 51186 1 pressure 1 . atm 51186 1 temperature 298 . K 51186 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51186 _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 . 51186 1 processing . 51186 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51186 _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' . 51186 2 'data analysis' . 51186 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 51186 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600cryo _NMR_spectrometer.Details 'CRMN Lyon' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51186 _Experiment_list.ID 1 _Experiment_list.Details . 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-15N BESTTROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51186 1 2 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51186 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51186 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51186 1 5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51186 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 51186 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51186 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51186 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51186 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 51186 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name preS _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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-15N BESTTROSY' . . . 51186 1 2 '3D HNCACO' . . . 51186 1 4 '3D HNCACB' . . . 51186 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 2 $software_2 . . 51186 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 2 2 GLN C C 13 175.472 0.000 . 1 . . . . . 3 GLN C . 51186 1 2 . 1 . 1 2 2 GLN CA C 13 55.801 0.000 . 1 . . . . . 3 GLN CA . 51186 1 3 . 1 . 1 2 2 GLN CB C 13 29.589 0.000 . 1 . . . . . 3 GLN CB . 51186 1 4 . 1 . 1 3 3 ASN H H 1 8.670 0.002 . 1 . . . . . 4 ASN H . 51186 1 5 . 1 . 1 3 3 ASN C C 13 175.067 0.000 . 1 . . . . . 4 ASN C . 51186 1 6 . 1 . 1 3 3 ASN CA C 13 52.704 0.000 . 1 . . . . . 4 ASN CA . 51186 1 7 . 1 . 1 3 3 ASN CB C 13 38.204 0.000 . 1 . . . . . 4 ASN CB . 51186 1 8 . 1 . 1 3 3 ASN N N 15 120.691 0.040 . 1 . . . . . 4 ASN N . 51186 1 9 . 1 . 1 4 4 LEU H H 1 8.403 0.001 . 1 . . . . . 5 LEU H . 51186 1 10 . 1 . 1 4 4 LEU C C 13 177.548 0.000 . 1 . . . . . 5 LEU C . 51186 1 11 . 1 . 1 4 4 LEU CA C 13 54.779 0.000 . 1 . . . . . 5 LEU CA . 51186 1 12 . 1 . 1 4 4 LEU CB C 13 41.916 0.000 . 1 . . . . . 5 LEU CB . 51186 1 13 . 1 . 1 4 4 LEU N N 15 123.379 0.029 . 1 . . . . . 5 LEU N . 51186 1 14 . 1 . 1 5 5 SER H H 1 8.389 0.003 . 1 . . . . . 6 SER H . 51186 1 15 . 1 . 1 5 5 SER C C 13 174.921 0.000 . 1 . . . . . 6 SER C . 51186 1 16 . 1 . 1 5 5 SER CA C 13 58.027 0.000 . 1 . . . . . 6 SER CA . 51186 1 17 . 1 . 1 5 5 SER CB C 13 63.310 0.031 . 1 . . . . . 6 SER CB . 51186 1 18 . 1 . 1 5 5 SER N N 15 116.594 0.070 . 1 . . . . . 6 SER N . 51186 1 19 . 1 . 1 6 6 THR H H 1 8.125 0.002 . 1 . . . . . 7 THR H . 51186 1 20 . 1 . 1 6 6 THR C C 13 174.546 0.000 . 1 . . . . . 7 THR C . 51186 1 21 . 1 . 1 6 6 THR CA C 13 61.332 0.000 . 1 . . . . . 7 THR CA . 51186 1 22 . 1 . 1 6 6 THR CB C 13 69.109 0.000 . 1 . . . . . 7 THR CB . 51186 1 23 . 1 . 1 6 6 THR N N 15 115.091 0.002 . 1 . . . . . 7 THR N . 51186 1 24 . 1 . 1 7 7 SER H H 1 8.207 0.001 . 1 . . . . . 8 SER H . 51186 1 25 . 1 . 1 7 7 SER C C 13 173.800 0.000 . 1 . . . . . 8 SER C . 51186 1 26 . 1 . 1 7 7 SER CA C 13 57.837 0.000 . 1 . . . . . 8 SER CA . 51186 1 27 . 1 . 1 7 7 SER CB C 13 63.394 0.000 . 1 . . . . . 8 SER CB . 51186 1 28 . 1 . 1 7 7 SER N N 15 117.523 0.020 . 1 . . . . . 8 SER N . 51186 1 29 . 1 . 1 8 8 ASN H H 1 8.357 0.001 . 1 . . . . . 9 ASN H . 51186 1 30 . 1 . 1 8 8 ASN C C 13 173.532 0.000 . 1 . . . . . 9 ASN C . 51186 1 31 . 1 . 1 8 8 ASN CA C 13 50.889 0.000 . 1 . . . . . 9 ASN CA . 51186 1 32 . 1 . 1 8 8 ASN CB C 13 38.479 0.000 . 1 . . . . . 9 ASN CB . 51186 1 33 . 1 . 1 8 8 ASN N N 15 121.250 0.067 . 1 . . . . . 9 ASN N . 51186 1 34 . 1 . 1 9 9 PRO C C 13 177.071 0.000 . 1 . . . . . 10 PRO C . 51186 1 35 . 1 . 1 9 9 PRO CA C 13 63.202 0.000 . 1 . . . . . 10 PRO CA . 51186 1 36 . 1 . 1 9 9 PRO CB C 13 31.628 0.000 . 1 . . . . . 10 PRO CB . 51186 1 37 . 1 . 1 10 10 LEU H H 1 8.207 0.002 . 1 . . . . . 11 LEU H . 51186 1 38 . 1 . 1 10 10 LEU C C 13 177.854 0.000 . 1 . . . . . 11 LEU C . 51186 1 39 . 1 . 1 10 10 LEU CA C 13 55.130 0.000 . 1 . . . . . 11 LEU CA . 51186 1 40 . 1 . 1 10 10 LEU CB C 13 41.514 0.000 . 1 . . . . . 11 LEU CB . 51186 1 41 . 1 . 1 10 10 LEU N N 15 120.335 0.015 . 1 . . . . . 11 LEU N . 51186 1 42 . 1 . 1 11 11 GLY H H 1 8.045 0.001 . 1 . . . . . 12 GLY H . 51186 1 43 . 1 . 1 11 11 GLY C C 13 173.144 0.000 . 1 . . . . . 12 GLY C . 51186 1 44 . 1 . 1 11 11 GLY CA C 13 44.723 0.001 . 1 . . . . . 12 GLY CA . 51186 1 45 . 1 . 1 11 11 GLY N N 15 108.331 0.027 . 1 . . . . . 12 GLY N . 51186 1 46 . 1 . 1 12 12 PHE H H 1 7.787 0.002 . 1 . . . . . 13 PHE H . 51186 1 47 . 1 . 1 12 12 PHE C C 13 174.689 0.000 . 1 . . . . . 13 PHE C . 51186 1 48 . 1 . 1 12 12 PHE CA C 13 56.880 0.000 . 1 . . . . . 13 PHE CA . 51186 1 49 . 1 . 1 12 12 PHE CB C 13 39.426 0.000 . 1 . . . . . 13 PHE CB . 51186 1 50 . 1 . 1 12 12 PHE N N 15 119.418 0.048 . 1 . . . . . 13 PHE N . 51186 1 51 . 1 . 1 13 13 PHE H H 1 8.224 0.001 . 1 . . . . . 14 PHE H . 51186 1 52 . 1 . 1 13 13 PHE C C 13 173.563 0.000 . 1 . . . . . 14 PHE C . 51186 1 53 . 1 . 1 13 13 PHE CA C 13 54.747 0.000 . 1 . . . . . 14 PHE CA . 51186 1 54 . 1 . 1 13 13 PHE CB C 13 38.932 0.000 . 1 . . . . . 14 PHE CB . 51186 1 55 . 1 . 1 13 13 PHE N N 15 123.287 0.014 . 1 . . . . . 14 PHE N . 51186 1 56 . 1 . 1 14 14 PRO C C 13 176.479 0.000 . 1 . . . . . 15 PRO C . 51186 1 57 . 1 . 1 14 14 PRO CA C 13 63.131 0.000 . 1 . . . . . 15 PRO CA . 51186 1 58 . 1 . 1 14 14 PRO CB C 13 31.556 0.000 . 1 . . . . . 15 PRO CB . 51186 1 59 . 1 . 1 15 15 ASP H H 1 8.290 0.001 . 1 . . . . . 16 ASP H . 51186 1 60 . 1 . 1 15 15 ASP C C 13 176.438 0.000 . 1 . . . . . 16 ASP C . 51186 1 61 . 1 . 1 15 15 ASP CA C 13 53.926 0.000 . 1 . . . . . 16 ASP CA . 51186 1 62 . 1 . 1 15 15 ASP CB C 13 40.514 0.000 . 1 . . . . . 16 ASP CB . 51186 1 63 . 1 . 1 15 15 ASP N N 15 119.252 0.033 . 1 . . . . . 16 ASP N . 51186 1 64 . 1 . 1 16 16 HIS H H 1 8.239 0.002 . 1 . . . . . 17 HIS H . 51186 1 65 . 1 . 1 16 16 HIS C C 13 174.821 0.000 . 1 . . . . . 17 HIS C . 51186 1 66 . 1 . 1 16 16 HIS CA C 13 55.634 0.000 . 1 . . . . . 17 HIS CA . 51186 1 67 . 1 . 1 16 16 HIS CB C 13 28.999 0.000 . 1 . . . . . 17 HIS CB . 51186 1 68 . 1 . 1 16 16 HIS N N 15 118.582 0.024 . 1 . . . . . 17 HIS N . 51186 1 69 . 1 . 1 17 17 GLN H H 1 8.292 0.003 . 1 . . . . . 18 GLN H . 51186 1 70 . 1 . 1 17 17 GLN C C 13 175.839 0.000 . 1 . . . . . 18 GLN C . 51186 1 71 . 1 . 1 17 17 GLN CA C 13 55.800 0.000 . 1 . . . . . 18 GLN CA . 51186 1 72 . 1 . 1 17 17 GLN CB C 13 28.806 0.007 . 1 . . . . . 18 GLN CB . 51186 1 73 . 1 . 1 17 17 GLN N N 15 120.154 0.012 . 1 . . . . . 18 GLN N . 51186 1 74 . 1 . 1 18 18 LEU H H 1 8.142 0.002 . 1 . . . . . 19 LEU H . 51186 1 75 . 1 . 1 18 18 LEU C C 13 176.687 0.000 . 1 . . . . . 19 LEU C . 51186 1 76 . 1 . 1 18 18 LEU CA C 13 54.403 0.000 . 1 . . . . . 19 LEU CA . 51186 1 77 . 1 . 1 18 18 LEU CB C 13 42.029 0.000 . 1 . . . . . 19 LEU CB . 51186 1 78 . 1 . 1 18 18 LEU N N 15 121.937 0.015 . 1 . . . . . 19 LEU N . 51186 1 79 . 1 . 1 19 19 ASP H H 1 8.120 0.000 . 1 . . . . . 20 ASP H . 51186 1 80 . 1 . 1 19 19 ASP C C 13 175.326 0.000 . 1 . . . . . 20 ASP C . 51186 1 81 . 1 . 1 19 19 ASP CA C 13 51.703 0.000 . 1 . . . . . 20 ASP CA . 51186 1 82 . 1 . 1 19 19 ASP CB C 13 41.259 0.000 . 1 . . . . . 20 ASP CB . 51186 1 83 . 1 . 1 19 19 ASP N N 15 122.903 0.031 . 1 . . . . . 20 ASP N . 51186 1 84 . 1 . 1 20 20 PRO C C 13 177.263 0.000 . 1 . . . . . 21 PRO C . 51186 1 85 . 1 . 1 20 20 PRO CA C 13 64.242 0.000 . 1 . . . . . 21 PRO CA . 51186 1 86 . 1 . 1 20 20 PRO CB C 13 31.990 0.000 . 1 . . . . . 21 PRO CB . 51186 1 87 . 1 . 1 21 21 ALA H H 1 8.465 0.001 . 1 . . . . . 22 ALA H . 51186 1 88 . 1 . 1 21 21 ALA C C 13 178.089 0.000 . 1 . . . . . 22 ALA C . 51186 1 89 . 1 . 1 21 21 ALA CA C 13 52.579 0.000 . 1 . . . . . 22 ALA CA . 51186 1 90 . 1 . 1 21 21 ALA CB C 13 18.221 0.000 . 1 . . . . . 22 ALA CB . 51186 1 91 . 1 . 1 21 21 ALA N N 15 121.513 0.020 . 1 . . . . . 22 ALA N . 51186 1 92 . 1 . 1 22 22 PHE H H 1 7.882 0.002 . 1 . . . . . 23 PHE H . 51186 1 93 . 1 . 1 22 22 PHE C C 13 175.856 0.000 . 1 . . . . . 23 PHE C . 51186 1 94 . 1 . 1 22 22 PHE CA C 13 57.819 0.000 . 1 . . . . . 23 PHE CA . 51186 1 95 . 1 . 1 22 22 PHE CB C 13 38.912 0.000 . 1 . . . . . 23 PHE CB . 51186 1 96 . 1 . 1 22 22 PHE N N 15 118.321 0.016 . 1 . . . . . 23 PHE N . 51186 1 97 . 1 . 1 23 23 ARG H H 1 7.842 0.001 . 1 . . . . . 24 ARG H . 51186 1 98 . 1 . 1 23 23 ARG C C 13 175.603 0.000 . 1 . . . . . 24 ARG C . 51186 1 99 . 1 . 1 23 23 ARG CA C 13 55.468 0.000 . 1 . . . . . 24 ARG CA . 51186 1 100 . 1 . 1 23 23 ARG CB C 13 30.473 0.000 . 1 . . . . . 24 ARG CB . 51186 1 101 . 1 . 1 23 23 ARG N N 15 122.363 0.012 . 1 . . . . . 24 ARG N . 51186 1 102 . 1 . 1 24 24 ALA H H 1 8.116 0.000 . 1 . . . . . 25 ALA H . 51186 1 103 . 1 . 1 24 24 ALA C C 13 177.533 0.000 . 1 . . . . . 25 ALA C . 51186 1 104 . 1 . 1 24 24 ALA CA C 13 52.232 0.000 . 1 . . . . . 25 ALA CA . 51186 1 105 . 1 . 1 24 24 ALA CB C 13 18.604 0.000 . 1 . . . . . 25 ALA CB . 51186 1 106 . 1 . 1 24 24 ALA N N 15 124.370 0.023 . 1 . . . . . 25 ALA N . 51186 1 107 . 1 . 1 25 25 ASN H H 1 8.330 0.001 . 1 . . . . . 26 ASN H . 51186 1 108 . 1 . 1 25 25 ASN C C 13 175.468 0.000 . 1 . . . . . 26 ASN C . 51186 1 109 . 1 . 1 25 25 ASN CA C 13 52.887 0.000 . 1 . . . . . 26 ASN CA . 51186 1 110 . 1 . 1 25 25 ASN CB C 13 38.246 0.000 . 1 . . . . . 26 ASN CB . 51186 1 111 . 1 . 1 25 25 ASN N N 15 117.554 0.013 . 1 . . . . . 26 ASN N . 51186 1 112 . 1 . 1 26 26 THR H H 1 7.944 0.002 . 1 . . . . . 27 THR H . 51186 1 113 . 1 . 1 26 26 THR C C 13 174.117 0.000 . 1 . . . . . 27 THR C . 51186 1 114 . 1 . 1 26 26 THR CA C 13 61.391 0.000 . 1 . . . . . 27 THR CA . 51186 1 115 . 1 . 1 26 26 THR CB C 13 69.246 0.000 . 1 . . . . . 27 THR CB . 51186 1 116 . 1 . 1 26 26 THR N N 15 113.586 0.037 . 1 . . . . . 27 THR N . 51186 1 117 . 1 . 1 27 27 ALA H H 1 8.174 0.001 . 1 . . . . . 28 ALA H . 51186 1 118 . 1 . 1 27 27 ALA C C 13 177.019 0.000 . 1 . . . . . 28 ALA C . 51186 1 119 . 1 . 1 27 27 ALA CA C 13 51.988 0.000 . 1 . . . . . 28 ALA CA . 51186 1 120 . 1 . 1 27 27 ALA CB C 13 18.771 0.000 . 1 . . . . . 28 ALA CB . 51186 1 121 . 1 . 1 27 27 ALA N N 15 125.434 0.032 . 1 . . . . . 28 ALA N . 51186 1 122 . 1 . 1 28 28 ASN H H 1 8.106 0.002 . 1 . . . . . 29 ASN H . 51186 1 123 . 1 . 1 28 28 ASN C C 13 173.470 0.000 . 1 . . . . . 29 ASN C . 51186 1 124 . 1 . 1 28 28 ASN CA C 13 50.618 0.000 . 1 . . . . . 29 ASN CA . 51186 1 125 . 1 . 1 28 28 ASN CB C 13 38.525 0.000 . 1 . . . . . 29 ASN CB . 51186 1 126 . 1 . 1 28 28 ASN N N 15 118.500 0.035 . 1 . . . . . 29 ASN N . 51186 1 127 . 1 . 1 29 29 PRO C C 13 177.169 0.000 . 1 . . . . . 30 PRO C . 51186 1 128 . 1 . 1 29 29 PRO CA C 13 63.075 0.000 . 1 . . . . . 30 PRO CA . 51186 1 129 . 1 . 1 29 29 PRO CB C 13 31.525 0.000 . 1 . . . . . 30 PRO CB . 51186 1 130 . 1 . 1 30 30 ASP H H 1 8.203 0.001 . 1 . . . . . 31 ASP H . 51186 1 131 . 1 . 1 30 30 ASP C C 13 176.335 0.000 . 1 . . . . . 31 ASP C . 51186 1 132 . 1 . 1 30 30 ASP CA C 13 54.017 0.084 . 1 . . . . . 31 ASP CA . 51186 1 133 . 1 . 1 30 30 ASP CB C 13 40.376 0.000 . 1 . . . . . 31 ASP CB . 51186 1 134 . 1 . 1 30 30 ASP N N 15 118.909 0.056 . 1 . . . . . 31 ASP N . 51186 1 135 . 1 . 1 31 31 TRP H H 1 7.791 0.001 . 1 . . . . . 32 TRP H . 51186 1 136 . 1 . 1 31 31 TRP C C 13 175.814 0.000 . 1 . . . . . 32 TRP C . 51186 1 137 . 1 . 1 31 31 TRP CA C 13 56.662 0.000 . 1 . . . . . 32 TRP CA . 51186 1 138 . 1 . 1 31 31 TRP CB C 13 29.123 0.000 . 1 . . . . . 32 TRP CB . 51186 1 139 . 1 . 1 31 31 TRP N N 15 120.397 0.032 . 1 . . . . . 32 TRP N . 51186 1 140 . 1 . 1 32 32 ASP H H 1 7.992 0.004 . 1 . . . . . 33 ASP H . 51186 1 141 . 1 . 1 32 32 ASP C C 13 175.556 0.016 . 1 . . . . . 33 ASP C . 51186 1 142 . 1 . 1 32 32 ASP CA C 13 53.650 0.000 . 1 . . . . . 33 ASP CA . 51186 1 143 . 1 . 1 32 32 ASP CB C 13 40.428 0.022 . 1 . . . . . 33 ASP CB . 51186 1 144 . 1 . 1 32 32 ASP N N 15 121.059 0.042 . 1 . . . . . 33 ASP N . 51186 1 145 . 1 . 1 33 33 PHE H H 1 7.799 0.001 . 1 . . . . . 34 PHE H . 51186 1 146 . 1 . 1 33 33 PHE C C 13 174.725 0.000 . 1 . . . . . 34 PHE C . 51186 1 147 . 1 . 1 33 33 PHE CA C 13 57.435 0.000 . 1 . . . . . 34 PHE CA . 51186 1 148 . 1 . 1 33 33 PHE CB C 13 38.945 0.000 . 1 . . . . . 34 PHE CB . 51186 1 149 . 1 . 1 33 33 PHE N N 15 120.307 0.048 . 1 . . . . . 34 PHE N . 51186 1 150 . 1 . 1 34 34 ASN H H 1 8.204 0.001 . 1 . . . . . 35 ASN H . 51186 1 151 . 1 . 1 34 34 ASN C C 13 173.384 0.000 . 1 . . . . . 35 ASN C . 51186 1 152 . 1 . 1 34 34 ASN CA C 13 50.046 0.000 . 1 . . . . . 35 ASN CA . 51186 1 153 . 1 . 1 34 34 ASN CB C 13 38.850 0.000 . 1 . . . . . 35 ASN CB . 51186 1 154 . 1 . 1 34 34 ASN N N 15 122.260 0.026 . 1 . . . . . 35 ASN N . 51186 1 155 . 1 . 1 35 35 PRO C C 13 176.691 0.000 . 1 . . . . . 36 PRO C . 51186 1 156 . 1 . 1 35 35 PRO CA C 13 63.393 0.000 . 1 . . . . . 36 PRO CA . 51186 1 157 . 1 . 1 35 35 PRO CB C 13 31.920 0.000 . 1 . . . . . 36 PRO CB . 51186 1 158 . 1 . 1 36 36 ASN H H 1 8.186 0.001 . 1 . . . . . 37 ASN H . 51186 1 159 . 1 . 1 36 36 ASN C C 13 175.151 0.000 . 1 . . . . . 37 ASN C . 51186 1 160 . 1 . 1 36 36 ASN CA C 13 52.801 0.000 . 1 . . . . . 37 ASN CA . 51186 1 161 . 1 . 1 36 36 ASN CB C 13 38.326 0.000 . 1 . . . . . 37 ASN CB . 51186 1 162 . 1 . 1 36 36 ASN N N 15 117.299 0.024 . 1 . . . . . 37 ASN N . 51186 1 163 . 1 . 1 37 37 LYS H H 1 7.895 0.003 . 1 . . . . . 38 LYS H . 51186 1 164 . 1 . 1 37 37 LYS C C 13 176.228 0.000 . 1 . . . . . 38 LYS C . 51186 1 165 . 1 . 1 37 37 LYS CA C 13 56.353 0.000 . 1 . . . . . 38 LYS CA . 51186 1 166 . 1 . 1 37 37 LYS CB C 13 32.441 0.000 . 1 . . . . . 38 LYS CB . 51186 1 167 . 1 . 1 37 37 LYS N N 15 121.111 0.040 . 1 . . . . . 38 LYS N . 51186 1 168 . 1 . 1 38 38 ASP H H 1 8.268 0.002 . 1 . . . . . 39 ASP H . 51186 1 169 . 1 . 1 38 38 ASP C C 13 176.205 0.000 . 1 . . . . . 39 ASP C . 51186 1 170 . 1 . 1 38 38 ASP CA C 13 54.364 0.000 . 1 . . . . . 39 ASP CA . 51186 1 171 . 1 . 1 38 38 ASP CB C 13 40.691 0.000 . 1 . . . . . 39 ASP CB . 51186 1 172 . 1 . 1 38 38 ASP N N 15 120.202 0.015 . 1 . . . . . 39 ASP N . 51186 1 173 . 1 . 1 39 39 THR H H 1 7.839 0.007 . 1 . . . . . 40 THR H . 51186 1 174 . 1 . 1 39 39 THR C C 13 174.052 0.000 . 1 . . . . . 40 THR C . 51186 1 175 . 1 . 1 39 39 THR CA C 13 61.257 0.000 . 1 . . . . . 40 THR CA . 51186 1 176 . 1 . 1 39 39 THR CB C 13 69.537 0.000 . 1 . . . . . 40 THR CB . 51186 1 177 . 1 . 1 39 39 THR N N 15 112.739 0.058 . 1 . . . . . 40 THR N . 51186 1 178 . 1 . 1 40 40 TRP H H 1 8.166 0.002 . 1 . . . . . 41 TRP H . 51186 1 179 . 1 . 1 40 40 TRP C C 13 174.549 0.000 . 1 . . . . . 41 TRP C . 51186 1 180 . 1 . 1 40 40 TRP CA C 13 54.649 0.000 . 1 . . . . . 41 TRP CA . 51186 1 181 . 1 . 1 40 40 TRP CB C 13 28.570 0.000 . 1 . . . . . 41 TRP CB . 51186 1 182 . 1 . 1 40 40 TRP N N 15 124.524 0.027 . 1 . . . . . 41 TRP N . 51186 1 183 . 1 . 1 41 41 PRO C C 13 176.686 0.000 . 1 . . . . . 42 PRO C . 51186 1 184 . 1 . 1 41 41 PRO CA C 13 63.576 0.000 . 1 . . . . . 42 PRO CA . 51186 1 185 . 1 . 1 41 41 PRO CB C 13 31.499 0.000 . 1 . . . . . 42 PRO CB . 51186 1 186 . 1 . 1 42 42 ASP H H 1 8.151 0.001 . 1 . . . . . 43 ASP H . 51186 1 187 . 1 . 1 42 42 ASP C C 13 176.618 0.000 . 1 . . . . . 43 ASP C . 51186 1 188 . 1 . 1 42 42 ASP CA C 13 53.915 0.000 . 1 . . . . . 43 ASP CA . 51186 1 189 . 1 . 1 42 42 ASP CB C 13 40.669 0.000 . 1 . . . . . 43 ASP CB . 51186 1 190 . 1 . 1 42 42 ASP N N 15 119.441 0.031 . 1 . . . . . 43 ASP N . 51186 1 191 . 1 . 1 43 43 ALA H H 1 8.239 0.002 . 1 . . . . . 44 ALA H . 51186 1 192 . 1 . 1 43 43 ALA C C 13 177.977 0.000 . 1 . . . . . 44 ALA C . 51186 1 193 . 1 . 1 43 43 ALA CA C 13 53.042 0.000 . 1 . . . . . 44 ALA CA . 51186 1 194 . 1 . 1 43 43 ALA CB C 13 18.482 0.000 . 1 . . . . . 44 ALA CB . 51186 1 195 . 1 . 1 43 43 ALA N N 15 124.429 0.004 . 1 . . . . . 44 ALA N . 51186 1 196 . 1 . 1 44 44 ASN H H 1 8.361 0.001 . 1 . . . . . 45 ASN H . 51186 1 197 . 1 . 1 44 44 ASN C C 13 175.394 0.000 . 1 . . . . . 45 ASN C . 51186 1 198 . 1 . 1 44 44 ASN CA C 13 53.147 0.000 . 1 . . . . . 45 ASN CA . 51186 1 199 . 1 . 1 44 44 ASN CB C 13 38.258 0.000 . 1 . . . . . 45 ASN CB . 51186 1 200 . 1 . 1 44 44 ASN N N 15 115.780 0.013 . 1 . . . . . 45 ASN N . 51186 1 201 . 1 . 1 45 45 LYS H H 1 7.939 0.002 . 1 . . . . . 46 LYS H . 51186 1 202 . 1 . 1 45 45 LYS C C 13 176.587 0.000 . 1 . . . . . 46 LYS C . 51186 1 203 . 1 . 1 45 45 LYS CA C 13 56.084 0.000 . 1 . . . . . 46 LYS CA . 51186 1 204 . 1 . 1 45 45 LYS CB C 13 32.514 0.016 . 1 . . . . . 46 LYS CB . 51186 1 205 . 1 . 1 45 45 LYS N N 15 120.673 0.052 . 1 . . . . . 46 LYS N . 51186 1 206 . 1 . 1 46 46 VAL H H 1 7.983 0.002 . 1 . . . . . 47 VAL H . 51186 1 207 . 1 . 1 46 46 VAL C C 13 176.703 0.000 . 1 . . . . . 47 VAL C . 51186 1 208 . 1 . 1 46 46 VAL CA C 13 62.229 0.000 . 1 . . . . . 47 VAL CA . 51186 1 209 . 1 . 1 46 46 VAL CB C 13 32.074 0.000 . 1 . . . . . 47 VAL CB . 51186 1 210 . 1 . 1 46 46 VAL N N 15 120.024 0.007 . 1 . . . . . 47 VAL N . 51186 1 211 . 1 . 1 47 47 GLY H H 1 8.355 0.001 . 1 . . . . . 48 GLY H . 51186 1 212 . 1 . 1 47 47 GLY C C 13 173.943 0.000 . 1 . . . . . 48 GLY C . 51186 1 213 . 1 . 1 47 47 GLY CA C 13 44.753 0.028 . 1 . . . . . 48 GLY CA . 51186 1 214 . 1 . 1 47 47 GLY N N 15 112.206 0.042 . 1 . . . . . 48 GLY N . 51186 1 215 . 1 . 1 48 48 ALA H H 1 8.175 0.002 . 1 . . . . . 49 ALA H . 51186 1 216 . 1 . 1 48 48 ALA C C 13 178.358 0.000 . 1 . . . . . 49 ALA C . 51186 1 217 . 1 . 1 48 48 ALA CA C 13 52.309 0.000 . 1 . . . . . 49 ALA CA . 51186 1 218 . 1 . 1 48 48 ALA CB C 13 18.828 0.000 . 1 . . . . . 49 ALA CB . 51186 1 219 . 1 . 1 48 48 ALA N N 15 123.605 0.015 . 1 . . . . . 49 ALA N . 51186 1 220 . 1 . 1 49 49 GLY H H 1 8.340 0.002 . 1 . . . . . 50 GLY H . 51186 1 221 . 1 . 1 49 49 GLY C C 13 174.038 0.000 . 1 . . . . . 50 GLY C . 51186 1 222 . 1 . 1 49 49 GLY CA C 13 44.874 0.004 . 1 . . . . . 50 GLY CA . 51186 1 223 . 1 . 1 49 49 GLY N N 15 107.799 0.008 . 1 . . . . . 50 GLY N . 51186 1 224 . 1 . 1 50 50 ALA H H 1 7.982 0.000 . 1 . . . . . 51 ALA H . 51186 1 225 . 1 . 1 50 50 ALA C C 13 177.480 0.000 . 1 . . . . . 51 ALA C . 51186 1 226 . 1 . 1 50 50 ALA CA C 13 52.079 0.000 . 1 . . . . . 51 ALA CA . 51186 1 227 . 1 . 1 50 50 ALA CB C 13 18.639 0.000 . 1 . . . . . 51 ALA CB . 51186 1 228 . 1 . 1 50 50 ALA N N 15 123.316 0.017 . 1 . . . . . 51 ALA N . 51186 1 229 . 1 . 1 51 51 PHE H H 1 8.102 0.002 . 1 . . . . . 52 PHE H . 51186 1 230 . 1 . 1 51 51 PHE C C 13 176.281 0.000 . 1 . . . . . 52 PHE C . 51186 1 231 . 1 . 1 51 51 PHE CA C 13 57.344 0.000 . 1 . . . . . 52 PHE CA . 51186 1 232 . 1 . 1 51 51 PHE CB C 13 38.800 0.000 . 1 . . . . . 52 PHE CB . 51186 1 233 . 1 . 1 51 51 PHE N N 15 118.327 0.019 . 1 . . . . . 52 PHE N . 51186 1 234 . 1 . 1 52 52 GLY H H 1 8.148 0.002 . 1 . . . . . 53 GLY H . 51186 1 235 . 1 . 1 52 52 GLY C C 13 174.123 0.000 . 1 . . . . . 53 GLY C . 51186 1 236 . 1 . 1 52 52 GLY CA C 13 44.855 0.021 . 1 . . . . . 53 GLY CA . 51186 1 237 . 1 . 1 52 52 GLY N N 15 109.643 0.028 . 1 . . . . . 53 GLY N . 51186 1 238 . 1 . 1 53 53 LEU H H 1 8.062 0.001 . 1 . . . . . 54 LEU H . 51186 1 239 . 1 . 1 53 53 LEU C C 13 177.914 0.000 . 1 . . . . . 54 LEU C . 51186 1 240 . 1 . 1 53 53 LEU CA C 13 54.948 0.000 . 1 . . . . . 54 LEU CA . 51186 1 241 . 1 . 1 53 53 LEU CB C 13 41.824 0.000 . 1 . . . . . 54 LEU CB . 51186 1 242 . 1 . 1 53 53 LEU N N 15 121.323 0.015 . 1 . . . . . 54 LEU N . 51186 1 243 . 1 . 1 54 54 GLY H H 1 8.407 0.002 . 1 . . . . . 55 GLY H . 51186 1 244 . 1 . 1 54 54 GLY C C 13 173.659 0.000 . 1 . . . . . 55 GLY C . 51186 1 245 . 1 . 1 54 54 GLY CA C 13 44.744 0.000 . 1 . . . . . 55 GLY CA . 51186 1 246 . 1 . 1 54 54 GLY N N 15 109.124 0.027 . 1 . . . . . 55 GLY N . 51186 1 247 . 1 . 1 55 55 PHE H H 1 7.963 0.001 . 1 . . . . . 56 PHE H . 51186 1 248 . 1 . 1 55 55 PHE C C 13 175.191 0.000 . 1 . . . . . 56 PHE C . 51186 1 249 . 1 . 1 55 55 PHE CA C 13 57.079 0.000 . 1 . . . . . 56 PHE CA . 51186 1 250 . 1 . 1 55 55 PHE CB C 13 39.450 0.000 . 1 . . . . . 56 PHE CB . 51186 1 251 . 1 . 1 55 55 PHE N N 15 119.875 0.015 . 1 . . . . . 56 PHE N . 51186 1 252 . 1 . 1 56 56 THR H H 1 8.075 0.001 . 1 . . . . . 57 THR H . 51186 1 253 . 1 . 1 56 56 THR C C 13 171.693 0.000 . 1 . . . . . 57 THR C . 51186 1 254 . 1 . 1 56 56 THR CA C 13 58.845 0.000 . 1 . . . . . 57 THR CA . 51186 1 255 . 1 . 1 56 56 THR CB C 13 69.650 0.000 . 1 . . . . . 57 THR CB . 51186 1 256 . 1 . 1 56 56 THR N N 15 119.982 0.019 . 1 . . . . . 57 THR N . 51186 1 257 . 1 . 1 58 58 PRO C C 13 176.809 0.000 . 1 . . . . . 59 PRO C . 51186 1 258 . 1 . 1 58 58 PRO CA C 13 62.508 0.000 . 1 . . . . . 59 PRO CA . 51186 1 259 . 1 . 1 58 58 PRO CB C 13 31.354 0.000 . 1 . . . . . 59 PRO CB . 51186 1 260 . 1 . 1 59 59 HIS H H 1 8.316 0.004 . 1 . . . . . 60 HIS H . 51186 1 261 . 1 . 1 59 59 HIS C C 13 175.526 0.000 . 1 . . . . . 60 HIS C . 51186 1 262 . 1 . 1 59 59 HIS CA C 13 55.436 0.000 . 1 . . . . . 60 HIS CA . 51186 1 263 . 1 . 1 59 59 HIS CB C 13 29.461 0.000 . 1 . . . . . 60 HIS CB . 51186 1 264 . 1 . 1 59 59 HIS N N 15 118.315 0.050 . 1 . . . . . 60 HIS N . 51186 1 265 . 1 . 1 60 60 GLY H H 1 8.369 0.002 . 1 . . . . . 61 GLY H . 51186 1 266 . 1 . 1 60 60 GLY C C 13 174.575 0.000 . 1 . . . . . 61 GLY C . 51186 1 267 . 1 . 1 60 60 GLY CA C 13 44.974 0.000 . 1 . . . . . 61 GLY CA . 51186 1 268 . 1 . 1 60 60 GLY N N 15 109.909 0.006 . 1 . . . . . 61 GLY N . 51186 1 269 . 1 . 1 61 61 GLY H H 1 8.291 0.002 . 1 . . . . . 62 GLY H . 51186 1 270 . 1 . 1 61 61 GLY C C 13 174.059 0.000 . 1 . . . . . 62 GLY C . 51186 1 271 . 1 . 1 61 61 GLY CA C 13 44.753 0.000 . 1 . . . . . 62 GLY CA . 51186 1 272 . 1 . 1 61 61 GLY N N 15 108.676 0.002 . 1 . . . . . 62 GLY N . 51186 1 273 . 1 . 1 62 62 LEU H H 1 8.100 0.002 . 1 . . . . . 63 LEU H . 51186 1 274 . 1 . 1 62 62 LEU C C 13 177.406 0.000 . 1 . . . . . 63 LEU C . 51186 1 275 . 1 . 1 62 62 LEU CA C 13 54.868 0.000 . 1 . . . . . 63 LEU CA . 51186 1 276 . 1 . 1 62 62 LEU CB C 13 41.952 0.000 . 1 . . . . . 63 LEU CB . 51186 1 277 . 1 . 1 62 62 LEU N N 15 121.363 0.021 . 1 . . . . . 63 LEU N . 51186 1 278 . 1 . 1 63 63 LEU H H 1 8.242 0.002 . 1 . . . . . 64 LEU H . 51186 1 279 . 1 . 1 63 63 LEU C C 13 177.835 0.000 . 1 . . . . . 64 LEU C . 51186 1 280 . 1 . 1 63 63 LEU CA C 13 54.872 0.000 . 1 . . . . . 64 LEU CA . 51186 1 281 . 1 . 1 63 63 LEU CB C 13 41.849 0.000 . 1 . . . . . 64 LEU CB . 51186 1 282 . 1 . 1 63 63 LEU N N 15 122.197 0.005 . 1 . . . . . 64 LEU N . 51186 1 283 . 1 . 1 64 64 GLY H H 1 8.301 0.002 . 1 . . . . . 65 GLY H . 51186 1 284 . 1 . 1 64 64 GLY C C 13 173.588 0.000 . 1 . . . . . 65 GLY C . 51186 1 285 . 1 . 1 64 64 GLY CA C 13 44.844 0.005 . 1 . . . . . 65 GLY CA . 51186 1 286 . 1 . 1 64 64 GLY N N 15 109.403 0.034 . 1 . . . . . 65 GLY N . 51186 1 287 . 1 . 1 65 65 TRP H H 1 7.993 0.002 . 1 . . . . . 66 TRP H . 51186 1 288 . 1 . 1 65 65 TRP C C 13 175.584 0.000 . 1 . . . . . 66 TRP C . 51186 1 289 . 1 . 1 65 65 TRP CA C 13 57.085 0.000 . 1 . . . . . 66 TRP CA . 51186 1 290 . 1 . 1 65 65 TRP CB C 13 29.390 0.000 . 1 . . . . . 66 TRP CB . 51186 1 291 . 1 . 1 65 65 TRP N N 15 121.026 0.012 . 1 . . . . . 66 TRP N . 51186 1 292 . 1 . 1 66 66 SER H H 1 7.806 0.001 . 1 . . . . . 67 SER H . 51186 1 293 . 1 . 1 66 66 SER C C 13 172.150 0.000 . 1 . . . . . 67 SER C . 51186 1 294 . 1 . 1 66 66 SER CA C 13 55.212 0.000 . 1 . . . . . 67 SER CA . 51186 1 295 . 1 . 1 66 66 SER CB C 13 63.348 0.000 . 1 . . . . . 67 SER CB . 51186 1 296 . 1 . 1 66 66 SER N N 15 119.416 0.036 . 1 . . . . . 67 SER N . 51186 1 297 . 1 . 1 67 67 PRO C C 13 177.691 0.000 . 1 . . . . . 68 PRO C . 51186 1 298 . 1 . 1 67 67 PRO CA C 13 63.033 0.000 . 1 . . . . . 68 PRO CA . 51186 1 299 . 1 . 1 67 67 PRO CB C 13 31.193 0.000 . 1 . . . . . 68 PRO CB . 51186 1 300 . 1 . 1 68 68 GLN H H 1 8.199 0.002 . 1 . . . . . 69 GLN H . 51186 1 301 . 1 . 1 68 68 GLN C C 13 176.138 0.000 . 1 . . . . . 69 GLN C . 51186 1 302 . 1 . 1 68 68 GLN CA C 13 55.783 0.000 . 1 . . . . . 69 GLN CA . 51186 1 303 . 1 . 1 68 68 GLN CB C 13 28.746 0.000 . 1 . . . . . 69 GLN CB . 51186 1 304 . 1 . 1 68 68 GLN N N 15 118.890 0.007 . 1 . . . . . 69 GLN N . 51186 1 305 . 1 . 1 69 69 ALA H H 1 8.099 0.003 . 1 . . . . . 70 ALA H . 51186 1 306 . 1 . 1 69 69 ALA C C 13 177.640 0.000 . 1 . . . . . 70 ALA C . 51186 1 307 . 1 . 1 69 69 ALA CA C 13 52.260 0.000 . 1 . . . . . 70 ALA CA . 51186 1 308 . 1 . 1 69 69 ALA CB C 13 18.654 0.000 . 1 . . . . . 70 ALA CB . 51186 1 309 . 1 . 1 69 69 ALA N N 15 124.664 0.003 . 1 . . . . . 70 ALA N . 51186 1 310 . 1 . 1 70 70 GLN H H 1 8.237 0.003 . 1 . . . . . 71 GLN H . 51186 1 311 . 1 . 1 70 70 GLN C C 13 176.503 0.000 . 1 . . . . . 71 GLN C . 51186 1 312 . 1 . 1 70 70 GLN CA C 13 55.606 0.000 . 1 . . . . . 71 GLN CA . 51186 1 313 . 1 . 1 70 70 GLN CB C 13 29.067 0.000 . 1 . . . . . 71 GLN CB . 51186 1 314 . 1 . 1 70 70 GLN N N 15 118.721 0.010 . 1 . . . . . 71 GLN N . 51186 1 315 . 1 . 1 71 71 GLY H H 1 8.288 0.003 . 1 . . . . . 72 GLY H . 51186 1 316 . 1 . 1 71 71 GLY C C 13 173.592 0.000 . 1 . . . . . 72 GLY C . 51186 1 317 . 1 . 1 71 71 GLY CA C 13 44.966 0.000 . 1 . . . . . 72 GLY CA . 51186 1 318 . 1 . 1 71 71 GLY N N 15 109.358 0.000 . 1 . . . . . 72 GLY N . 51186 1 319 . 1 . 1 72 72 ILE H H 1 7.904 0.001 . 1 . . . . . 73 ILE H . 51186 1 320 . 1 . 1 72 72 ILE C C 13 176.363 0.000 . 1 . . . . . 73 ILE C . 51186 1 321 . 1 . 1 72 72 ILE CA C 13 60.786 0.000 . 1 . . . . . 73 ILE CA . 51186 1 322 . 1 . 1 72 72 ILE CB C 13 38.276 0.000 . 1 . . . . . 73 ILE CB . 51186 1 323 . 1 . 1 72 72 ILE N N 15 119.647 0.024 . 1 . . . . . 73 ILE N . 51186 1 324 . 1 . 1 73 73 LEU H H 1 8.251 0.001 . 1 . . . . . 74 LEU H . 51186 1 325 . 1 . 1 73 73 LEU C C 13 177.148 0.000 . 1 . . . . . 74 LEU C . 51186 1 326 . 1 . 1 73 73 LEU CA C 13 54.714 0.000 . 1 . . . . . 74 LEU CA . 51186 1 327 . 1 . 1 73 73 LEU CB C 13 41.743 0.000 . 1 . . . . . 74 LEU CB . 51186 1 328 . 1 . 1 73 73 LEU N N 15 125.505 0.020 . 1 . . . . . 74 LEU N . 51186 1 329 . 1 . 1 74 74 GLN H H 1 8.321 0.002 . 1 . . . . . 75 GLN H . 51186 1 330 . 1 . 1 74 74 GLN C C 13 175.844 0.000 . 1 . . . . . 75 GLN C . 51186 1 331 . 1 . 1 74 74 GLN CA C 13 55.285 0.005 . 1 . . . . . 75 GLN CA . 51186 1 332 . 1 . 1 74 74 GLN CB C 13 29.247 0.029 . 1 . . . . . 75 GLN CB . 51186 1 333 . 1 . 1 74 74 GLN N N 15 121.292 0.054 . 1 . . . . . 75 GLN N . 51186 1 334 . 1 . 1 75 75 THR H H 1 8.117 0.003 . 1 . . . . . 76 THR H . 51186 1 335 . 1 . 1 75 75 THR C C 13 174.140 0.000 . 1 . . . . . 76 THR C . 51186 1 336 . 1 . 1 75 75 THR CA C 13 61.288 0.000 . 1 . . . . . 76 THR CA . 51186 1 337 . 1 . 1 75 75 THR CB C 13 69.422 0.009 . 1 . . . . . 76 THR CB . 51186 1 338 . 1 . 1 75 75 THR N N 15 115.528 0.016 . 1 . . . . . 76 THR N . 51186 1 339 . 1 . 1 76 76 LEU H H 1 8.250 0.001 . 1 . . . . . 77 LEU H . 51186 1 340 . 1 . 1 76 76 LEU CA C 13 52.462 0.000 . 1 . . . . . 77 LEU CA . 51186 1 341 . 1 . 1 76 76 LEU CB C 13 41.314 0.000 . 1 . . . . . 77 LEU CB . 51186 1 342 . 1 . 1 76 76 LEU N N 15 126.054 0.001 . 1 . . . . . 77 LEU N . 51186 1 343 . 1 . 1 77 77 PRO C C 13 176.421 0.000 . 1 . . . . . 78 PRO C . 51186 1 344 . 1 . 1 77 77 PRO CA C 13 62.437 0.000 . 1 . . . . . 78 PRO CA . 51186 1 345 . 1 . 1 77 77 PRO CB C 13 31.534 0.000 . 1 . . . . . 78 PRO CB . 51186 1 346 . 1 . 1 78 78 ALA H H 1 8.316 0.001 . 1 . . . . . 79 ALA H . 51186 1 347 . 1 . 1 78 78 ALA C C 13 177.264 0.000 . 1 . . . . . 79 ALA C . 51186 1 348 . 1 . 1 78 78 ALA CA C 13 51.835 0.000 . 1 . . . . . 79 ALA CA . 51186 1 349 . 1 . 1 78 78 ALA CB C 13 18.850 0.000 . 1 . . . . . 79 ALA CB . 51186 1 350 . 1 . 1 78 78 ALA N N 15 123.923 0.017 . 1 . . . . . 79 ALA N . 51186 1 351 . 1 . 1 79 79 ASN H H 1 8.339 0.002 . 1 . . . . . 80 ASN H . 51186 1 352 . 1 . 1 79 79 ASN C C 13 172.474 0.000 . 1 . . . . . 80 ASN C . 51186 1 353 . 1 . 1 79 79 ASN CA C 13 50.850 0.000 . 1 . . . . . 80 ASN CA . 51186 1 354 . 1 . 1 79 79 ASN CB C 13 38.392 0.000 . 1 . . . . . 80 ASN CB . 51186 1 355 . 1 . 1 79 79 ASN N N 15 118.237 0.051 . 1 . . . . . 80 ASN N . 51186 1 356 . 1 . 1 82 82 PRO C C 13 176.845 0.000 . 1 . . . . . 83 PRO C . 51186 1 357 . 1 . 1 82 82 PRO CA C 13 62.930 0.000 . 1 . . . . . 83 PRO CA . 51186 1 358 . 1 . 1 82 82 PRO CB C 13 31.850 0.000 . 1 . . . . . 83 PRO CB . 51186 1 359 . 1 . 1 83 83 ALA H H 1 8.426 0.001 . 1 . . . . . 84 ALA H . 51186 1 360 . 1 . 1 83 83 ALA C C 13 178.071 0.000 . 1 . . . . . 84 ALA C . 51186 1 361 . 1 . 1 83 83 ALA CA C 13 52.149 0.000 . 1 . . . . . 84 ALA CA . 51186 1 362 . 1 . 1 83 83 ALA CB C 13 18.766 0.000 . 1 . . . . . 84 ALA CB . 51186 1 363 . 1 . 1 83 83 ALA N N 15 124.088 0.014 . 1 . . . . . 84 ALA N . 51186 1 364 . 1 . 1 84 84 SER H H 1 8.323 0.002 . 1 . . . . . 85 SER H . 51186 1 365 . 1 . 1 84 84 SER C C 13 174.968 0.000 . 1 . . . . . 85 SER C . 51186 1 366 . 1 . 1 84 84 SER CA C 13 57.882 0.000 . 1 . . . . . 85 SER CA . 51186 1 367 . 1 . 1 84 84 SER CB C 13 63.392 0.000 . 1 . . . . . 85 SER CB . 51186 1 368 . 1 . 1 84 84 SER N N 15 114.725 0.041 . 1 . . . . . 85 SER N . 51186 1 369 . 1 . 1 85 85 THR H H 1 8.123 0.002 . 1 . . . . . 86 THR H . 51186 1 370 . 1 . 1 85 85 THR C C 13 174.341 0.000 . 1 . . . . . 86 THR C . 51186 1 371 . 1 . 1 85 85 THR CA C 13 61.318 0.000 . 1 . . . . . 86 THR CA . 51186 1 372 . 1 . 1 85 85 THR CB C 13 69.277 0.000 . 1 . . . . . 86 THR CB . 51186 1 373 . 1 . 1 85 85 THR N N 15 114.742 0.002 . 1 . . . . . 86 THR N . 51186 1 374 . 1 . 1 86 86 ASN H H 1 8.375 0.002 . 1 . . . . . 87 ASN H . 51186 1 375 . 1 . 1 86 86 ASN C C 13 175.257 0.000 . 1 . . . . . 87 ASN C . 51186 1 376 . 1 . 1 86 86 ASN CA C 13 52.843 0.000 . 1 . . . . . 87 ASN CA . 51186 1 377 . 1 . 1 86 86 ASN CB C 13 38.281 0.000 . 1 . . . . . 87 ASN CB . 51186 1 378 . 1 . 1 86 86 ASN N N 15 120.897 0.026 . 1 . . . . . 87 ASN N . 51186 1 379 . 1 . 1 87 87 ARG H H 1 8.336 0.002 . 1 . . . . . 88 ARG H . 51186 1 380 . 1 . 1 87 87 ARG C C 13 176.399 0.000 . 1 . . . . . 88 ARG C . 51186 1 381 . 1 . 1 87 87 ARG CA C 13 55.795 0.000 . 1 . . . . . 88 ARG CA . 51186 1 382 . 1 . 1 87 87 ARG CB C 13 30.244 0.000 . 1 . . . . . 88 ARG CB . 51186 1 383 . 1 . 1 87 87 ARG N N 15 121.682 0.012 . 1 . . . . . 88 ARG N . 51186 1 384 . 1 . 1 88 88 GLN H H 1 8.431 0.002 . 1 . . . . . 89 GLN H . 51186 1 385 . 1 . 1 88 88 GLN C C 13 176.180 0.000 . 1 . . . . . 89 GLN C . 51186 1 386 . 1 . 1 88 88 GLN CA C 13 55.582 0.000 . 1 . . . . . 89 GLN CA . 51186 1 387 . 1 . 1 88 88 GLN CB C 13 28.825 0.000 . 1 . . . . . 89 GLN CB . 51186 1 388 . 1 . 1 88 88 GLN N N 15 121.217 0.022 . 1 . . . . . 89 GLN N . 51186 1 389 . 1 . 1 89 89 SER H H 1 8.347 0.001 . 1 . . . . . 90 SER H . 51186 1 390 . 1 . 1 89 89 SER C C 13 175.058 0.000 . 1 . . . . . 90 SER C . 51186 1 391 . 1 . 1 89 89 SER CA C 13 58.158 0.000 . 1 . . . . . 90 SER CA . 51186 1 392 . 1 . 1 89 89 SER CB C 13 63.458 0.000 . 1 . . . . . 90 SER CB . 51186 1 393 . 1 . 1 89 89 SER N N 15 117.044 0.016 . 1 . . . . . 90 SER N . 51186 1 394 . 1 . 1 90 90 GLY H H 1 8.432 0.001 . 1 . . . . . 91 GLY H . 51186 1 395 . 1 . 1 90 90 GLY C C 13 173.992 0.000 . 1 . . . . . 91 GLY C . 51186 1 396 . 1 . 1 90 90 GLY CA C 13 44.822 0.000 . 1 . . . . . 91 GLY CA . 51186 1 397 . 1 . 1 90 90 GLY N N 15 110.720 0.024 . 1 . . . . . 91 GLY N . 51186 1 398 . 1 . 1 91 91 ARG H H 1 8.155 0.001 . 1 . . . . . 92 ARG H . 51186 1 399 . 1 . 1 91 91 ARG C C 13 176.191 0.000 . 1 . . . . . 92 ARG C . 51186 1 400 . 1 . 1 91 91 ARG CA C 13 55.458 0.000 . 1 . . . . . 92 ARG CA . 51186 1 401 . 1 . 1 91 91 ARG CB C 13 30.519 0.000 . 1 . . . . . 92 ARG CB . 51186 1 402 . 1 . 1 91 91 ARG N N 15 120.390 0.031 . 1 . . . . . 92 ARG N . 51186 1 403 . 1 . 1 92 92 GLN H H 1 8.483 0.002 . 1 . . . . . 93 GLN H . 51186 1 404 . 1 . 1 92 92 GLN C C 13 174.007 0.000 . 1 . . . . . 93 GLN C . 51186 1 405 . 1 . 1 92 92 GLN CA C 13 53.203 0.000 . 1 . . . . . 93 GLN CA . 51186 1 406 . 1 . 1 92 92 GLN CB C 13 28.419 0.000 . 1 . . . . . 93 GLN CB . 51186 1 407 . 1 . 1 92 92 GLN N N 15 123.171 0.082 . 1 . . . . . 93 GLN N . 51186 1 408 . 1 . 1 93 93 PRO C C 13 176.695 0.000 . 1 . . . . . 94 PRO C . 51186 1 409 . 1 . 1 93 93 PRO CA C 13 62.626 0.000 . 1 . . . . . 94 PRO CA . 51186 1 410 . 1 . 1 93 93 PRO CB C 13 31.670 0.000 . 1 . . . . . 94 PRO CB . 51186 1 411 . 1 . 1 94 94 THR H H 1 8.297 0.001 . 1 . . . . . 95 THR H . 51186 1 412 . 1 . 1 94 94 THR C C 13 172.986 0.000 . 1 . . . . . 95 THR C . 51186 1 413 . 1 . 1 94 94 THR CA C 13 59.410 0.000 . 1 . . . . . 95 THR CA . 51186 1 414 . 1 . 1 94 94 THR CB C 13 69.345 0.000 . 1 . . . . . 95 THR CB . 51186 1 415 . 1 . 1 94 94 THR N N 15 117.378 0.020 . 1 . . . . . 95 THR N . 51186 1 416 . 1 . 1 95 95 PRO C C 13 176.836 0.000 . 1 . . . . . 96 PRO C . 51186 1 417 . 1 . 1 95 95 PRO CA C 13 62.853 0.000 . 1 . . . . . 96 PRO CA . 51186 1 418 . 1 . 1 95 95 PRO CB C 13 31.885 0.000 . 1 . . . . . 96 PRO CB . 51186 1 419 . 1 . 1 96 96 LEU H H 1 8.272 0.002 . 1 . . . . . 97 LEU H . 51186 1 420 . 1 . 1 96 96 LEU C C 13 177.493 0.000 . 1 . . . . . 97 LEU C . 51186 1 421 . 1 . 1 96 96 LEU CA C 13 54.645 0.000 . 1 . . . . . 97 LEU CA . 51186 1 422 . 1 . 1 96 96 LEU CB C 13 41.890 0.000 . 1 . . . . . 97 LEU CB . 51186 1 423 . 1 . 1 96 96 LEU N N 15 122.181 0.019 . 1 . . . . . 97 LEU N . 51186 1 424 . 1 . 1 97 97 SER H H 1 8.219 0.004 . 1 . . . . . 98 SER H . 51186 1 425 . 1 . 1 97 97 SER CA C 13 55.802 0.000 . 1 . . . . . 98 SER CA . 51186 1 426 . 1 . 1 97 97 SER CB C 13 62.854 0.000 . 1 . . . . . 98 SER CB . 51186 1 427 . 1 . 1 97 97 SER N N 15 117.947 0.040 . 1 . . . . . 98 SER N . 51186 1 428 . 1 . 1 99 99 PRO C C 13 176.745 0.000 . 1 . . . . . 100 PRO C . 51186 1 429 . 1 . 1 99 99 PRO CA C 13 62.671 0.000 . 1 . . . . . 100 PRO CA . 51186 1 430 . 1 . 1 99 99 PRO CB C 13 31.507 0.000 . 1 . . . . . 100 PRO CB . 51186 1 431 . 1 . 1 100 100 LEU H H 1 8.324 0.001 . 1 . . . . . 101 LEU H . 51186 1 432 . 1 . 1 100 100 LEU C C 13 177.273 0.000 . 1 . . . . . 101 LEU C . 51186 1 433 . 1 . 1 100 100 LEU CA C 13 54.716 0.053 . 1 . . . . . 101 LEU CA . 51186 1 434 . 1 . 1 100 100 LEU CB C 13 41.839 0.058 . 1 . . . . . 101 LEU CB . 51186 1 435 . 1 . 1 100 100 LEU N N 15 122.322 0.017 . 1 . . . . . 101 LEU N . 51186 1 436 . 1 . 1 101 101 ARG H H 1 8.319 0.001 . 1 . . . . . 102 ARG H . 51186 1 437 . 1 . 1 101 101 ARG C C 13 175.850 0.000 . 1 . . . . . 102 ARG C . 51186 1 438 . 1 . 1 101 101 ARG CA C 13 55.820 0.000 . 1 . . . . . 102 ARG CA . 51186 1 439 . 1 . 1 101 101 ARG CB C 13 31.213 0.000 . 1 . . . . . 102 ARG CB . 51186 1 440 . 1 . 1 101 101 ARG N N 15 121.542 0.002 . 1 . . . . . 102 ARG N . 51186 1 441 . 1 . 1 102 102 ASN H H 1 8.466 0.006 . 1 . . . . . 103 ASN H . 51186 1 442 . 1 . 1 102 102 ASN C C 13 175.324 0.000 . 1 . . . . . 103 ASN C . 51186 1 443 . 1 . 1 102 102 ASN CA C 13 52.757 0.000 . 1 . . . . . 103 ASN CA . 51186 1 444 . 1 . 1 102 102 ASN CB C 13 38.308 0.000 . 1 . . . . . 103 ASN CB . 51186 1 445 . 1 . 1 102 102 ASN N N 15 119.860 0.017 . 1 . . . . . 103 ASN N . 51186 1 446 . 1 . 1 103 103 THR H H 1 8.046 0.003 . 1 . . . . . 104 THR H . 51186 1 447 . 1 . 1 103 103 THR CA C 13 61.295 0.000 . 1 . . . . . 104 THR CA . 51186 1 448 . 1 . 1 103 103 THR CB C 13 69.385 0.000 . 1 . . . . . 104 THR CB . 51186 1 449 . 1 . 1 103 103 THR N N 15 113.625 0.003 . 1 . . . . . 104 THR N . 51186 1 450 . 1 . 1 105 105 PRO C C 13 177.176 0.000 . 1 . . . . . 106 PRO C . 51186 1 451 . 1 . 1 105 105 PRO CA C 13 63.320 0.000 . 1 . . . . . 106 PRO CA . 51186 1 452 . 1 . 1 105 105 PRO CB C 13 31.675 0.000 . 1 . . . . . 106 PRO CB . 51186 1 453 . 1 . 1 106 106 GLN H H 1 8.747 0.004 . 1 . . . . . 107 GLN H . 51186 1 454 . 1 . 1 106 106 GLN C C 13 175.892 0.000 . 1 . . . . . 107 GLN C . 51186 1 455 . 1 . 1 106 106 GLN CA C 13 55.587 0.000 . 1 . . . . . 107 GLN CA . 51186 1 456 . 1 . 1 106 106 GLN CB C 13 28.919 0.000 . 1 . . . . . 107 GLN CB . 51186 1 457 . 1 . 1 106 106 GLN N N 15 120.418 0.008 . 1 . . . . . 107 GLN N . 51186 1 458 . 1 . 1 107 107 ALA H H 1 8.246 0.003 . 1 . . . . . 108 ALA H . 51186 1 459 . 1 . 1 107 107 ALA C C 13 176.668 0.000 . 1 . . . . . 108 ALA C . 51186 1 460 . 1 . 1 107 107 ALA CA C 13 52.239 0.000 . 1 . . . . . 108 ALA CA . 51186 1 461 . 1 . 1 107 107 ALA CB C 13 18.587 0.000 . 1 . . . . . 108 ALA CB . 51186 1 462 . 1 . 1 107 107 ALA N N 15 124.497 0.041 . 1 . . . . . 108 ALA N . 51186 1 463 . 1 . 1 108 108 MET H H 1 8.198 0.002 . 1 . . . . . 109 MET H . 51186 1 464 . 1 . 1 108 108 MET HE1 H 1 1.995 0.000 . 1 . . . . . 109 MET HE1 . 51186 1 465 . 1 . 1 108 108 MET HE2 H 1 1.995 0.000 . 1 . . . . . 109 MET HE2 . 51186 1 466 . 1 . 1 108 108 MET HE3 H 1 1.995 0.000 . 1 . . . . . 109 MET HE3 . 51186 1 467 . 1 . 1 108 108 MET C C 13 176.181 0.000 . 1 . . . . . 109 MET C . 51186 1 468 . 1 . 1 108 108 MET CA C 13 55.011 0.000 . 1 . . . . . 109 MET CA . 51186 1 469 . 1 . 1 108 108 MET CB C 13 31.612 0.000 . 1 . . . . . 109 MET CB . 51186 1 470 . 1 . 1 108 108 MET CE C 13 17.070 0.000 . 1 . . . . . 109 MET CE . 51186 1 471 . 1 . 1 108 108 MET N N 15 118.988 0.020 . 1 . . . . . 109 MET N . 51186 1 472 . 1 . 1 109 109 GLN H H 1 8.217 0.003 . 1 . . . . . 110 GLN H . 51186 1 473 . 1 . 1 109 109 GLN C C 13 175.783 0.016 . 1 . . . . . 110 GLN C . 51186 1 474 . 1 . 1 109 109 GLN CA C 13 55.209 0.012 . 1 . . . . . 110 GLN CA . 51186 1 475 . 1 . 1 109 109 GLN CB C 13 28.874 0.001 . 1 . . . . . 110 GLN CB . 51186 1 476 . 1 . 1 109 109 GLN N N 15 120.875 0.036 . 1 . . . . . 110 GLN N . 51186 1 477 . 1 . 1 110 110 TRP H H 1 8.130 0.004 . 1 . . . . . 111 TRP H . 51186 1 478 . 1 . 1 110 110 TRP C C 13 175.792 0.000 . 1 . . . . . 111 TRP C . 51186 1 479 . 1 . 1 110 110 TRP CA C 13 56.936 0.000 . 1 . . . . . 111 TRP CA . 51186 1 480 . 1 . 1 110 110 TRP CB C 13 28.980 0.000 . 1 . . . . . 111 TRP CB . 51186 1 481 . 1 . 1 110 110 TRP N N 15 121.970 0.008 . 1 . . . . . 111 TRP N . 51186 1 482 . 1 . 1 111 111 ASN H H 1 8.124 0.003 . 1 . . . . . 112 ASN H . 51186 1 483 . 1 . 1 111 111 ASN C C 13 175.075 0.000 . 1 . . . . . 112 ASN C . 51186 1 484 . 1 . 1 111 111 ASN CA C 13 52.558 0.000 . 1 . . . . . 112 ASN CA . 51186 1 485 . 1 . 1 111 111 ASN CB C 13 38.391 0.000 . 1 . . . . . 112 ASN CB . 51186 1 486 . 1 . 1 111 111 ASN N N 15 119.995 0.021 . 1 . . . . . 112 ASN N . 51186 1 487 . 1 . 1 112 112 SER H H 1 8.162 0.006 . 1 . . . . . 113 SER H . 51186 1 488 . 1 . 1 112 112 SER C C 13 175.116 0.000 . 1 . . . . . 113 SER C . 51186 1 489 . 1 . 1 112 112 SER CA C 13 58.599 0.000 . 1 . . . . . 113 SER CA . 51186 1 490 . 1 . 1 112 112 SER CB C 13 63.273 0.000 . 1 . . . . . 113 SER CB . 51186 1 491 . 1 . 1 112 112 SER N N 15 115.848 0.013 . 1 . . . . . 113 SER N . 51186 1 492 . 1 . 1 113 113 THR H H 1 8.227 0.002 . 1 . . . . . 114 THR H . 51186 1 493 . 1 . 1 113 113 THR C C 13 175.070 0.000 . 1 . . . . . 114 THR C . 51186 1 494 . 1 . 1 113 113 THR CA C 13 61.989 0.000 . 1 . . . . . 114 THR CA . 51186 1 495 . 1 . 1 113 113 THR CB C 13 69.271 0.000 . 1 . . . . . 114 THR CB . 51186 1 496 . 1 . 1 113 113 THR N N 15 115.440 0.018 . 1 . . . . . 114 THR N . 51186 1 497 . 1 . 1 114 114 THR H H 1 7.982 0.001 . 1 . . . . . 115 THR H . 51186 1 498 . 1 . 1 114 114 THR C C 13 174.477 0.000 . 1 . . . . . 115 THR C . 51186 1 499 . 1 . 1 114 114 THR CA C 13 61.954 0.000 . 1 . . . . . 115 THR CA . 51186 1 500 . 1 . 1 114 114 THR CB C 13 69.089 0.000 . 1 . . . . . 115 THR CB . 51186 1 501 . 1 . 1 114 114 THR N N 15 115.380 0.025 . 1 . . . . . 115 THR N . 51186 1 502 . 1 . 1 115 115 PHE H H 1 8.102 0.000 . 1 . . . . . 116 PHE H . 51186 1 503 . 1 . 1 115 115 PHE CA C 13 57.738 0.000 . 1 . . . . . 116 PHE CA . 51186 1 504 . 1 . 1 115 115 PHE CB C 13 39.050 0.000 . 1 . . . . . 116 PHE CB . 51186 1 505 . 1 . 1 115 115 PHE N N 15 122.451 0.032 . 1 . . . . . 116 PHE N . 51186 1 506 . 1 . 1 117 117 GLN C C 13 176.206 0.000 . 1 . . . . . 118 GLN C . 51186 1 507 . 1 . 1 117 117 GLN CA C 13 56.031 0.000 . 1 . . . . . 118 GLN CA . 51186 1 508 . 1 . 1 117 117 GLN CB C 13 29.060 0.000 . 1 . . . . . 118 GLN CB . 51186 1 509 . 1 . 1 118 118 THR H H 1 8.213 0.002 . 1 . . . . . 119 THR H . 51186 1 510 . 1 . 1 118 118 THR CA C 13 61.865 0.000 . 1 . . . . . 119 THR CA . 51186 1 511 . 1 . 1 118 118 THR CB C 13 69.265 0.000 . 1 . . . . . 119 THR CB . 51186 1 512 . 1 . 1 118 118 THR N N 15 115.528 0.008 . 1 . . . . . 119 THR N . 51186 1 513 . 1 . 1 119 119 LEU H H 1 8.368 0.000 . 1 . . . . . 120 LEU H . 51186 1 514 . 1 . 1 119 119 LEU N N 15 125.269 0.000 . 1 . . . . . 120 LEU N . 51186 1 515 . 1 . 1 120 120 GLN C C 13 175.283 0.000 . 1 . . . . . 121 GLN C . 51186 1 516 . 1 . 1 121 121 ASP H H 1 8.159 0.001 . 1 . . . . . 122 ASP H . 51186 1 517 . 1 . 1 121 121 ASP C C 13 175.335 0.000 . 1 . . . . . 122 ASP C . 51186 1 518 . 1 . 1 121 121 ASP CA C 13 51.342 0.000 . 1 . . . . . 122 ASP CA . 51186 1 519 . 1 . 1 121 121 ASP CB C 13 41.462 0.000 . 1 . . . . . 122 ASP CB . 51186 1 520 . 1 . 1 121 121 ASP N N 15 123.298 0.008 . 1 . . . . . 122 ASP N . 51186 1 521 . 1 . 1 122 122 PRO C C 13 177.693 0.000 . 1 . . . . . 123 PRO C . 51186 1 522 . 1 . 1 122 122 PRO CA C 13 63.653 0.000 . 1 . . . . . 123 PRO CA . 51186 1 523 . 1 . 1 122 122 PRO CB C 13 31.924 0.000 . 1 . . . . . 123 PRO CB . 51186 1 524 . 1 . 1 123 123 ARG H H 1 8.482 0.005 . 1 . . . . . 124 ARG H . 51186 1 525 . 1 . 1 123 123 ARG C C 13 177.442 0.000 . 1 . . . . . 124 ARG C . 51186 1 526 . 1 . 1 123 123 ARG CA C 13 56.891 0.000 . 1 . . . . . 124 ARG CA . 51186 1 527 . 1 . 1 123 123 ARG CB C 13 29.870 0.000 . 1 . . . . . 124 ARG CB . 51186 1 528 . 1 . 1 123 123 ARG N N 15 118.621 0.043 . 1 . . . . . 124 ARG N . 51186 1 529 . 1 . 1 124 124 VAL H H 1 7.709 0.004 . 1 . . . . . 125 VAL H . 51186 1 530 . 1 . 1 124 124 VAL C C 13 176.286 0.000 . 1 . . . . . 125 VAL C . 51186 1 531 . 1 . 1 124 124 VAL CA C 13 62.218 0.000 . 1 . . . . . 125 VAL CA . 51186 1 532 . 1 . 1 124 124 VAL CB C 13 32.067 0.000 . 1 . . . . . 125 VAL CB . 51186 1 533 . 1 . 1 124 124 VAL N N 15 117.949 0.030 . 1 . . . . . 125 VAL N . 51186 1 534 . 1 . 1 125 125 ARG H H 1 8.083 0.003 . 1 . . . . . 126 ARG H . 51186 1 535 . 1 . 1 125 125 ARG C C 13 176.859 0.000 . 1 . . . . . 126 ARG C . 51186 1 536 . 1 . 1 125 125 ARG CA C 13 56.365 0.000 . 1 . . . . . 126 ARG CA . 51186 1 537 . 1 . 1 125 125 ARG CB C 13 30.240 0.000 . 1 . . . . . 126 ARG CB . 51186 1 538 . 1 . 1 125 125 ARG N N 15 122.813 0.030 . 1 . . . . . 126 ARG N . 51186 1 539 . 1 . 1 126 126 GLY H H 1 8.212 0.005 . 1 . . . . . 127 GLY H . 51186 1 540 . 1 . 1 126 126 GLY C C 13 173.731 0.000 . 1 . . . . . 127 GLY C . 51186 1 541 . 1 . 1 126 126 GLY CA C 13 44.864 0.000 . 1 . . . . . 127 GLY CA . 51186 1 542 . 1 . 1 126 126 GLY N N 15 108.498 0.008 . 1 . . . . . 127 GLY N . 51186 1 543 . 1 . 1 127 127 LEU H H 1 7.828 0.005 . 1 . . . . . 128 LEU H . 51186 1 544 . 1 . 1 127 127 LEU C C 13 176.599 0.000 . 1 . . . . . 128 LEU C . 51186 1 545 . 1 . 1 127 127 LEU CA C 13 54.614 0.000 . 1 . . . . . 128 LEU CA . 51186 1 546 . 1 . 1 127 127 LEU CB C 13 42.058 0.000 . 1 . . . . . 128 LEU CB . 51186 1 547 . 1 . 1 127 127 LEU N N 15 120.845 0.016 . 1 . . . . . 128 LEU N . 51186 1 548 . 1 . 1 130 130 PRO C C 13 176.755 0.000 . 1 . . . . . 131 PRO C . 51186 1 549 . 1 . 1 130 130 PRO CA C 13 62.940 0.000 . 1 . . . . . 131 PRO CA . 51186 1 550 . 1 . 1 130 130 PRO CB C 13 31.649 0.000 . 1 . . . . . 131 PRO CB . 51186 1 551 . 1 . 1 131 131 ALA H H 1 8.369 0.001 . 1 . . . . . 132 ALA H . 51186 1 552 . 1 . 1 131 131 ALA C C 13 178.401 0.000 . 1 . . . . . 132 ALA C . 51186 1 553 . 1 . 1 131 131 ALA CA C 13 52.144 0.000 . 1 . . . . . 132 ALA CA . 51186 1 554 . 1 . 1 131 131 ALA CB C 13 18.702 0.000 . 1 . . . . . 132 ALA CB . 51186 1 555 . 1 . 1 131 131 ALA N N 15 124.307 0.029 . 1 . . . . . 132 ALA N . 51186 1 556 . 1 . 1 132 132 GLY H H 1 8.373 0.003 . 1 . . . . . 133 GLY H . 51186 1 557 . 1 . 1 132 132 GLY C C 13 174.818 0.000 . 1 . . . . . 133 GLY C . 51186 1 558 . 1 . 1 132 132 GLY CA C 13 44.879 0.000 . 1 . . . . . 133 GLY CA . 51186 1 559 . 1 . 1 132 132 GLY N N 15 108.312 0.015 . 1 . . . . . 133 GLY N . 51186 1 560 . 1 . 1 133 133 GLY H H 1 8.252 0.002 . 1 . . . . . 134 GLY H . 51186 1 561 . 1 . 1 133 133 GLY C C 13 174.286 0.000 . 1 . . . . . 134 GLY C . 51186 1 562 . 1 . 1 133 133 GLY CA C 13 44.762 0.044 . 1 . . . . . 134 GLY CA . 51186 1 563 . 1 . 1 133 133 GLY N N 15 108.632 0.033 . 1 . . . . . 134 GLY N . 51186 1 564 . 1 . 1 134 134 SER H H 1 8.297 0.001 . 1 . . . . . 135 SER H . 51186 1 565 . 1 . 1 134 134 SER C C 13 174.909 0.000 . 1 . . . . . 135 SER C . 51186 1 566 . 1 . 1 134 134 SER CA C 13 57.779 0.000 . 1 . . . . . 135 SER CA . 51186 1 567 . 1 . 1 134 134 SER CB C 13 63.540 0.000 . 1 . . . . . 135 SER CB . 51186 1 568 . 1 . 1 134 134 SER N N 15 115.430 0.022 . 1 . . . . . 135 SER N . 51186 1 569 . 1 . 1 135 135 SER H H 1 8.452 0.001 . 1 . . . . . 136 SER H . 51186 1 570 . 1 . 1 135 135 SER C C 13 174.755 0.000 . 1 . . . . . 136 SER C . 51186 1 571 . 1 . 1 135 135 SER CA C 13 58.045 0.013 . 1 . . . . . 136 SER CA . 51186 1 572 . 1 . 1 135 135 SER CB C 13 63.287 0.000 . 1 . . . . . 136 SER CB . 51186 1 573 . 1 . 1 135 135 SER N N 15 117.867 0.002 . 1 . . . . . 136 SER N . 51186 1 574 . 1 . 1 136 136 SER H H 1 8.338 0.001 . 1 . . . . . 137 SER H . 51186 1 575 . 1 . 1 136 136 SER C C 13 174.996 0.000 . 1 . . . . . 137 SER C . 51186 1 576 . 1 . 1 136 136 SER CA C 13 58.302 0.000 . 1 . . . . . 137 SER CA . 51186 1 577 . 1 . 1 136 136 SER CB C 13 63.352 0.000 . 1 . . . . . 137 SER CB . 51186 1 578 . 1 . 1 136 136 SER N N 15 117.479 0.002 . 1 . . . . . 137 SER N . 51186 1 579 . 1 . 1 137 137 GLY H H 1 8.364 0.001 . 1 . . . . . 138 GLY H . 51186 1 580 . 1 . 1 137 137 GLY C C 13 174.159 0.000 . 1 . . . . . 138 GLY C . 51186 1 581 . 1 . 1 137 137 GLY CA C 13 44.884 0.001 . 1 . . . . . 138 GLY CA . 51186 1 582 . 1 . 1 137 137 GLY N N 15 110.626 0.031 . 1 . . . . . 138 GLY N . 51186 1 583 . 1 . 1 138 138 THR H H 1 8.034 0.002 . 1 . . . . . 139 THR H . 51186 1 584 . 1 . 1 138 138 THR C C 13 174.366 0.000 . 1 . . . . . 139 THR C . 51186 1 585 . 1 . 1 138 138 THR CA C 13 61.390 0.000 . 1 . . . . . 139 THR CA . 51186 1 586 . 1 . 1 138 138 THR CB C 13 69.463 0.000 . 1 . . . . . 139 THR CB . 51186 1 587 . 1 . 1 138 138 THR N N 15 114.180 0.019 . 1 . . . . . 139 THR N . 51186 1 588 . 1 . 1 139 139 VAL H H 1 8.180 0.002 . 1 . . . . . 140 VAL H . 51186 1 589 . 1 . 1 139 139 VAL C C 13 175.460 0.000 . 1 . . . . . 140 VAL C . 51186 1 590 . 1 . 1 139 139 VAL CA C 13 61.586 0.000 . 1 . . . . . 140 VAL CA . 51186 1 591 . 1 . 1 139 139 VAL CB C 13 32.387 0.038 . 1 . . . . . 140 VAL CB . 51186 1 592 . 1 . 1 139 139 VAL N N 15 122.692 0.035 . 1 . . . . . 140 VAL N . 51186 1 593 . 1 . 1 140 140 ASN H H 1 8.507 0.002 . 1 . . . . . 141 ASN H . 51186 1 594 . 1 . 1 140 140 ASN C C 13 173.374 0.000 . 1 . . . . . 141 ASN C . 51186 1 595 . 1 . 1 140 140 ASN CA C 13 50.709 0.000 . 1 . . . . . 141 ASN CA . 51186 1 596 . 1 . 1 140 140 ASN CB C 13 38.400 0.000 . 1 . . . . . 141 ASN CB . 51186 1 597 . 1 . 1 140 140 ASN N N 15 123.850 0.041 . 1 . . . . . 141 ASN N . 51186 1 598 . 1 . 1 141 141 PRO C C 13 176.751 0.000 . 1 . . . . . 142 PRO C . 51186 1 599 . 1 . 1 141 141 PRO CA C 13 63.081 0.000 . 1 . . . . . 142 PRO CA . 51186 1 600 . 1 . 1 141 141 PRO CB C 13 31.889 0.000 . 1 . . . . . 142 PRO CB . 51186 1 601 . 1 . 1 142 142 VAL H H 1 8.091 0.003 . 1 . . . . . 143 VAL H . 51186 1 602 . 1 . 1 142 142 VAL C C 13 176.219 0.004 . 1 . . . . . 143 VAL C . 51186 1 603 . 1 . 1 142 142 VAL CA C 13 62.141 0.000 . 1 . . . . . 143 VAL CA . 51186 1 604 . 1 . 1 142 142 VAL CB C 13 31.861 0.000 . 1 . . . . . 143 VAL CB . 51186 1 605 . 1 . 1 142 142 VAL N N 15 119.728 0.015 . 1 . . . . . 143 VAL N . 51186 1 606 . 1 . 1 143 143 LEU H H 1 8.210 0.002 . 1 . . . . . 144 LEU H . 51186 1 607 . 1 . 1 143 143 LEU C C 13 177.436 0.000 . 1 . . . . . 144 LEU C . 51186 1 608 . 1 . 1 143 143 LEU CA C 13 54.663 0.156 . 1 . . . . . 144 LEU CA . 51186 1 609 . 1 . 1 143 143 LEU CB C 13 41.826 0.134 . 1 . . . . . 144 LEU CB . 51186 1 610 . 1 . 1 143 143 LEU N N 15 125.307 0.007 . 1 . . . . . 144 LEU N . 51186 1 611 . 1 . 1 144 144 THR H H 1 8.129 0.003 . 1 . . . . . 145 THR H . 51186 1 612 . 1 . 1 144 144 THR C C 13 174.617 0.000 . 1 . . . . . 145 THR C . 51186 1 613 . 1 . 1 144 144 THR CA C 13 61.203 0.000 . 1 . . . . . 145 THR CA . 51186 1 614 . 1 . 1 144 144 THR CB C 13 69.319 0.000 . 1 . . . . . 145 THR CB . 51186 1 615 . 1 . 1 144 144 THR N N 15 115.125 0.008 . 1 . . . . . 145 THR N . 51186 1 616 . 1 . 1 145 145 THR H H 1 8.054 0.002 . 1 . . . . . 146 THR H . 51186 1 617 . 1 . 1 145 145 THR C C 13 174.020 0.000 . 1 . . . . . 146 THR C . 51186 1 618 . 1 . 1 145 145 THR CA C 13 61.185 0.000 . 1 . . . . . 146 THR CA . 51186 1 619 . 1 . 1 145 145 THR CB C 13 69.363 0.000 . 1 . . . . . 146 THR CB . 51186 1 620 . 1 . 1 145 145 THR N N 15 115.686 0.015 . 1 . . . . . 146 THR N . 51186 1 621 . 1 . 1 146 146 ALA H H 1 8.261 0.002 . 1 . . . . . 147 ALA H . 51186 1 622 . 1 . 1 146 146 ALA C C 13 177.364 0.000 . 1 . . . . . 147 ALA C . 51186 1 623 . 1 . 1 146 146 ALA CA C 13 52.078 0.000 . 1 . . . . . 147 ALA CA . 51186 1 624 . 1 . 1 146 146 ALA CB C 13 18.934 0.000 . 1 . . . . . 147 ALA CB . 51186 1 625 . 1 . 1 146 146 ALA N N 15 126.198 0.037 . 1 . . . . . 147 ALA N . 51186 1 626 . 1 . 1 147 147 SER H H 1 8.276 0.004 . 1 . . . . . 148 SER H . 51186 1 627 . 1 . 1 147 147 SER C C 13 173.216 0.000 . 1 . . . . . 148 SER C . 51186 1 628 . 1 . 1 147 147 SER CA C 13 55.827 0.000 . 1 . . . . . 148 SER CA . 51186 1 629 . 1 . 1 147 147 SER CB C 13 62.985 0.000 . 1 . . . . . 148 SER CB . 51186 1 630 . 1 . 1 147 147 SER N N 15 116.576 0.030 . 1 . . . . . 148 SER N . 51186 1 631 . 1 . 1 148 148 PRO C C 13 177.033 0.000 . 1 . . . . . 149 PRO C . 51186 1 632 . 1 . 1 148 148 PRO CA C 13 63.172 0.000 . 1 . . . . . 149 PRO CA . 51186 1 633 . 1 . 1 148 148 PRO CB C 13 31.872 0.000 . 1 . . . . . 149 PRO CB . 51186 1 634 . 1 . 1 149 149 LEU H H 1 8.242 0.003 . 1 . . . . . 150 LEU H . 51186 1 635 . 1 . 1 149 149 LEU C C 13 177.672 0.000 . 1 . . . . . 150 LEU C . 51186 1 636 . 1 . 1 149 149 LEU CA C 13 55.007 0.000 . 1 . . . . . 150 LEU CA . 51186 1 637 . 1 . 1 149 149 LEU CB C 13 41.642 0.000 . 1 . . . . . 150 LEU CB . 51186 1 638 . 1 . 1 149 149 LEU N N 15 121.100 0.019 . 1 . . . . . 150 LEU N . 51186 1 639 . 1 . 1 150 150 SER H H 1 8.131 0.003 . 1 . . . . . 151 SER H . 51186 1 640 . 1 . 1 150 150 SER C C 13 174.583 0.000 . 1 . . . . . 151 SER C . 51186 1 641 . 1 . 1 150 150 SER CA C 13 58.145 0.000 . 1 . . . . . 151 SER CA . 51186 1 642 . 1 . 1 150 150 SER CB C 13 63.281 0.000 . 1 . . . . . 151 SER CB . 51186 1 643 . 1 . 1 150 150 SER N N 15 115.375 0.079 . 1 . . . . . 151 SER N . 51186 1 644 . 1 . 1 151 151 SER H H 1 8.244 0.003 . 1 . . . . . 152 SER H . 51186 1 645 . 1 . 1 151 151 SER C C 13 174.217 0.000 . 1 . . . . . 152 SER C . 51186 1 646 . 1 . 1 151 151 SER CA C 13 58.206 0.000 . 1 . . . . . 152 SER CA . 51186 1 647 . 1 . 1 151 151 SER CB C 13 63.302 0.000 . 1 . . . . . 152 SER CB . 51186 1 648 . 1 . 1 151 151 SER N N 15 117.600 0.003 . 1 . . . . . 152 SER N . 51186 1 649 . 1 . 1 152 152 ILE H H 1 7.912 0.002 . 1 . . . . . 153 ILE H . 51186 1 650 . 1 . 1 152 152 ILE C C 13 176.170 0.000 . 1 . . . . . 153 ILE C . 51186 1 651 . 1 . 1 152 152 ILE CA C 13 61.446 0.009 . 1 . . . . . 153 ILE CA . 51186 1 652 . 1 . 1 152 152 ILE CB C 13 38.039 0.126 . 1 . . . . . 153 ILE CB . 51186 1 653 . 1 . 1 152 152 ILE N N 15 121.192 0.047 . 1 . . . . . 153 ILE N . 51186 1 654 . 1 . 1 153 153 PHE H H 1 8.020 0.005 . 1 . . . . . 154 PHE H . 51186 1 655 . 1 . 1 153 153 PHE C C 13 175.899 0.000 . 1 . . . . . 154 PHE C . 51186 1 656 . 1 . 1 153 153 PHE CA C 13 57.435 0.000 . 1 . . . . . 154 PHE CA . 51186 1 657 . 1 . 1 153 153 PHE CB C 13 38.932 0.000 . 1 . . . . . 154 PHE CB . 51186 1 658 . 1 . 1 153 153 PHE N N 15 121.982 0.032 . 1 . . . . . 154 PHE N . 51186 1 659 . 1 . 1 154 154 SER H H 1 8.048 0.003 . 1 . . . . . 155 SER H . 51186 1 660 . 1 . 1 154 154 SER C C 13 174.218 0.000 . 1 . . . . . 155 SER C . 51186 1 661 . 1 . 1 154 154 SER CA C 13 57.920 0.000 . 1 . . . . . 155 SER CA . 51186 1 662 . 1 . 1 154 154 SER CB C 13 63.401 0.000 . 1 . . . . . 155 SER CB . 51186 1 663 . 1 . 1 154 154 SER N N 15 116.588 0.018 . 1 . . . . . 155 SER N . 51186 1 664 . 1 . 1 155 155 ARG H H 1 8.219 0.003 . 1 . . . . . 156 ARG H . 51186 1 665 . 1 . 1 155 155 ARG C C 13 176.154 0.000 . 1 . . . . . 156 ARG C . 51186 1 666 . 1 . 1 155 155 ARG CA C 13 55.620 0.000 . 1 . . . . . 156 ARG CA . 51186 1 667 . 1 . 1 155 155 ARG CB C 13 30.383 0.000 . 1 . . . . . 156 ARG CB . 51186 1 668 . 1 . 1 155 155 ARG N N 15 122.606 0.015 . 1 . . . . . 156 ARG N . 51186 1 669 . 1 . 1 156 156 ILE H H 1 8.047 0.004 . 1 . . . . . 157 ILE H . 51186 1 670 . 1 . 1 156 156 ILE C C 13 176.655 0.000 . 1 . . . . . 157 ILE C . 51186 1 671 . 1 . 1 156 156 ILE CA C 13 61.071 0.000 . 1 . . . . . 157 ILE CA . 51186 1 672 . 1 . 1 156 156 ILE CB C 13 38.100 0.000 . 1 . . . . . 157 ILE CB . 51186 1 673 . 1 . 1 156 156 ILE N N 15 121.174 0.028 . 1 . . . . . 157 ILE N . 51186 1 674 . 1 . 1 157 157 GLY H H 1 8.349 0.004 . 1 . . . . . 158 GLY H . 51186 1 675 . 1 . 1 157 157 GLY C C 13 173.365 0.000 . 1 . . . . . 158 GLY C . 51186 1 676 . 1 . 1 157 157 GLY CA C 13 44.449 0.000 . 1 . . . . . 158 GLY CA . 51186 1 677 . 1 . 1 157 157 GLY N N 15 112.694 0.016 . 1 . . . . . 158 GLY N . 51186 1 678 . 1 . 1 158 158 ASP H H 1 8.032 0.002 . 1 . . . . . 159 ASP H . 51186 1 679 . 1 . 1 158 158 ASP C C 13 175.374 0.000 . 1 . . . . . 159 ASP C . 51186 1 680 . 1 . 1 158 158 ASP CA C 13 51.705 0.000 . 1 . . . . . 159 ASP CA . 51186 1 681 . 1 . 1 158 158 ASP CB C 13 41.001 0.000 . 1 . . . . . 159 ASP CB . 51186 1 682 . 1 . 1 158 158 ASP N N 15 121.766 0.022 . 1 . . . . . 159 ASP N . 51186 1 683 . 1 . 1 159 159 PRO C C 13 177.309 0.000 . 1 . . . . . 160 PRO C . 51186 1 684 . 1 . 1 159 159 PRO CA C 13 63.849 0.000 . 1 . . . . . 160 PRO CA . 51186 1 685 . 1 . 1 159 159 PRO CB C 13 31.847 0.000 . 1 . . . . . 160 PRO CB . 51186 1 686 . 1 . 1 160 160 ALA H H 1 8.378 0.001 . 1 . . . . . 161 ALA H . 51186 1 687 . 1 . 1 160 160 ALA C C 13 178.401 0.000 . 1 . . . . . 161 ALA C . 51186 1 688 . 1 . 1 160 160 ALA CA C 13 52.518 0.000 . 1 . . . . . 161 ALA CA . 51186 1 689 . 1 . 1 160 160 ALA CB C 13 18.339 0.000 . 1 . . . . . 161 ALA CB . 51186 1 690 . 1 . 1 160 160 ALA N N 15 121.986 0.017 . 1 . . . . . 161 ALA N . 51186 1 691 . 1 . 1 161 161 LEU H H 1 7.830 0.004 . 1 . . . . . 162 LEU H . 51186 1 692 . 1 . 1 161 161 LEU C C 13 177.337 0.000 . 1 . . . . . 162 LEU C . 51186 1 693 . 1 . 1 161 161 LEU CA C 13 54.901 0.000 . 1 . . . . . 162 LEU CA . 51186 1 694 . 1 . 1 161 161 LEU CB C 13 41.754 0.020 . 1 . . . . . 162 LEU CB . 51186 1 695 . 1 . 1 161 161 LEU N N 15 119.362 0.025 . 1 . . . . . 162 LEU N . 51186 1 696 . 1 . 1 162 162 ASN H H 1 8.045 0.003 . 1 . . . . . 163 ASN H . 51186 1 697 . 1 . 1 162 162 ASN C C 13 175.152 0.000 . 1 . . . . . 163 ASN C . 51186 1 698 . 1 . 1 162 162 ASN CA C 13 52.889 0.000 . 1 . . . . . 163 ASN CA . 51186 1 699 . 1 . 1 162 162 ASN CB C 13 38.287 0.000 . 1 . . . . . 163 ASN CB . 51186 1 700 . 1 . 1 162 162 ASN N N 15 118.439 0.034 . 1 . . . . . 163 ASN N . 51186 1 701 . 1 . 1 163 163 ALA H H 1 8.115 0.003 . 1 . . . . . 164 ALA H . 51186 1 702 . 1 . 1 163 163 ALA C C 13 177.996 0.000 . 1 . . . . . 164 ALA C . 51186 1 703 . 1 . 1 163 163 ALA CA C 13 52.553 0.000 . 1 . . . . . 164 ALA CA . 51186 1 704 . 1 . 1 163 163 ALA CB C 13 18.592 0.000 . 1 . . . . . 164 ALA CB . 51186 1 705 . 1 . 1 163 163 ALA N N 15 124.005 0.006 . 1 . . . . . 164 ALA N . 51186 1 706 . 1 . 1 164 164 SER H H 1 8.180 0.001 . 1 . . . . . 165 SER H . 51186 1 707 . 1 . 1 164 164 SER C C 13 174.504 0.000 . 1 . . . . . 165 SER C . 51186 1 708 . 1 . 1 164 164 SER CA C 13 58.391 0.000 . 1 . . . . . 165 SER CA . 51186 1 709 . 1 . 1 164 164 SER CB C 13 63.102 0.000 . 1 . . . . . 165 SER CB . 51186 1 710 . 1 . 1 164 164 SER N N 15 114.314 0.038 . 1 . . . . . 165 SER N . 51186 1 711 . 1 . 1 165 165 TRP H H 1 7.843 0.001 . 1 . . . . . 166 TRP H . 51186 1 712 . 1 . 1 165 165 TRP C C 13 176.094 0.000 . 1 . . . . . 166 TRP C . 51186 1 713 . 1 . 1 165 165 TRP CA C 13 56.659 0.000 . 1 . . . . . 166 TRP CA . 51186 1 714 . 1 . 1 165 165 TRP CB C 13 29.051 0.000 . 1 . . . . . 166 TRP CB . 51186 1 715 . 1 . 1 165 165 TRP N N 15 121.819 0.032 . 1 . . . . . 166 TRP N . 51186 1 716 . 1 . 1 166 166 SER H H 1 7.882 0.003 . 1 . . . . . 167 SER H . 51186 1 717 . 1 . 1 166 166 SER C C 13 173.547 0.000 . 1 . . . . . 167 SER C . 51186 1 718 . 1 . 1 166 166 SER CA C 13 57.672 0.000 . 1 . . . . . 167 SER CA . 51186 1 719 . 1 . 1 166 166 SER CB C 13 63.313 0.000 . 1 . . . . . 167 SER CB . 51186 1 720 . 1 . 1 166 166 SER N N 15 116.494 0.023 . 1 . . . . . 167 SER N . 51186 1 721 . 1 . 1 167 167 HIS H H 1 8.092 0.005 . 1 . . . . . 168 HIS H . 51186 1 722 . 1 . 1 167 167 HIS C C 13 172.680 0.000 . 1 . . . . . 168 HIS C . 51186 1 723 . 1 . 1 167 167 HIS CA C 13 54.822 0.000 . 1 . . . . . 168 HIS CA . 51186 1 724 . 1 . 1 167 167 HIS CB C 13 28.754 0.000 . 1 . . . . . 168 HIS CB . 51186 1 725 . 1 . 1 167 167 HIS N N 15 121.099 0.048 . 1 . . . . . 168 HIS N . 51186 1 726 . 1 . 1 168 168 PRO C C 13 176.786 0.000 . 1 . . . . . 169 PRO C . 51186 1 727 . 1 . 1 168 168 PRO CA C 13 63.029 0.000 . 1 . . . . . 169 PRO CA . 51186 1 728 . 1 . 1 168 168 PRO CB C 13 31.823 0.000 . 1 . . . . . 169 PRO CB . 51186 1 729 . 1 . 1 169 169 GLN H H 1 8.563 0.001 . 1 . . . . . 170 GLN H . 51186 1 730 . 1 . 1 169 169 GLN C C 13 175.581 0.000 . 1 . . . . . 170 GLN C . 51186 1 731 . 1 . 1 169 169 GLN CA C 13 55.509 0.000 . 1 . . . . . 170 GLN CA . 51186 1 732 . 1 . 1 169 169 GLN CB C 13 28.928 0.000 . 1 . . . . . 170 GLN CB . 51186 1 733 . 1 . 1 169 169 GLN N N 15 120.609 0.005 . 1 . . . . . 170 GLN N . 51186 1 734 . 1 . 1 170 170 PHE H H 1 8.155 0.001 . 1 . . . . . 171 PHE H . 51186 1 735 . 1 . 1 170 170 PHE C C 13 175.490 0.000 . 1 . . . . . 171 PHE C . 51186 1 736 . 1 . 1 170 170 PHE CA C 13 56.891 0.000 . 1 . . . . . 171 PHE CA . 51186 1 737 . 1 . 1 170 170 PHE CB C 13 39.211 0.025 . 1 . . . . . 171 PHE CB . 51186 1 738 . 1 . 1 170 170 PHE N N 15 120.323 0.035 . 1 . . . . . 171 PHE N . 51186 1 739 . 1 . 1 171 171 GLU H H 1 8.325 0.002 . 1 . . . . . 172 GLU H . 51186 1 740 . 1 . 1 171 171 GLU C C 13 175.212 0.000 . 1 . . . . . 172 GLU C . 51186 1 741 . 1 . 1 171 171 GLU CA C 13 56.144 0.000 . 1 . . . . . 172 GLU CA . 51186 1 742 . 1 . 1 171 171 GLU CB C 13 30.140 0.000 . 1 . . . . . 172 GLU CB . 51186 1 743 . 1 . 1 171 171 GLU N N 15 122.659 0.022 . 1 . . . . . 172 GLU N . 51186 1 744 . 1 . 1 172 172 LYS H H 1 7.895 0.001 . 1 . . . . . 173 LYS H . 51186 1 745 . 1 . 1 172 172 LYS C C 13 174.121 0.000 . 1 . . . . . 173 LYS C . 51186 1 746 . 1 . 1 172 172 LYS CA C 13 57.250 0.000 . 1 . . . . . 173 LYS CA . 51186 1 747 . 1 . 1 172 172 LYS CB C 13 33.234 0.000 . 1 . . . . . 173 LYS CB . 51186 1 748 . 1 . 1 172 172 LYS N N 15 127.051 0.017 . 1 . . . . . 173 LYS N . 51186 1 stop_ save_