data_6712 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6712 _Entry.Title ; Solution structure of the two N-terminal CCP modules of C4b-binding protein (C4BP) alpha-chain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-30 _Entry.Accession_date 2005-06-30 _Entry.Last_release_date 2007-02-05 _Entry.Original_release_date 2007-02-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Huw Jenkins . T. . 6712 2 Linda Mark . . . 6712 3 Graeme Ball . . . 6712 4 Gunnar Lindahl . . . 6712 5 Dusan Uhrin . . . 6712 6 Anna Blom . M. . 6712 7 Paul Barlow . N. . 6712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 546 6712 '15N chemical shifts' 132 6712 '1H chemical shifts' 848 6712 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 1 . . 2007-02-05 2005-06-30 original author . 6712 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6712 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16330538 _Citation.Full_citation . _Citation.Title ; Human C4b-binding protein, structural basis for interaction with Streptococcal M protein, a major bacterial virulence factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 6 _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 3690 _Citation.Page_last 3697 _Citation.Year 2006 _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.Entry_ID _Citation_author.Citation_ID 1 Huw Jenkins . T. . 6712 1 2 Linda Mark . . . 6712 1 3 Graeme Ball . . . 6712 1 4 Jenny Persson . . . 6712 1 5 Gunnar Lindahl . . . 6712 1 6 Dusan Uhrin . . . 6712 1 7 Anna Blom . M. . 6712 1 8 Paul Barlow . N. . 6712 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID C4BP 6712 1 CCP 6712 1 complement 6712 1 'M protein' 6712 1 'Streptococcus pyogenes' 6712 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6712 _Assembly.ID 1 _Assembly.Name C4BP12 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'N-terminal two CCP modules of C4b-binding protein alpha-chain.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6712 1 stop_ 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 C4BP12 1 $C4BP12 . . yes native no no . . . 6712 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . 6712 1 2 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 61 61 SG . . . . . . . . . . 6712 1 3 disulfide single . 1 . 1 CYS 66 66 SG . 1 . 1 CYS 107 107 SG . . . . . . . . . . 6712 1 4 disulfide single . 1 . 1 CYS 93 93 SG . 1 . 1 CYS 123 123 SG . . . . . . . . . . 6712 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'Regulator of Complement Activation' 6712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C4BP12 _Entity.Sf_category entity _Entity.Sf_framecode C4BP12 _Entity.Entry_ID 6712 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C4BP12 _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 ; MNCGPPPTLSFAAPMDITLT ETRFKTGTTLKYTCLPGYVR SHSTQTLTCNSDGEWVYNTF CIYKRCRHPGELRNGQVEIK TDLSFGSQIEFSCSEGFFLI GSTTSRCEVQDRGVGWSHPL PQCEILEHHHHHH ; _Entity.Polymer_seq_one_letter_code ; MNCGPPPTLSFAAPMDITLT ETRFKTGTTLKYTCLPGYVR SHSTQTLTCNSDGEWVYNTF CIYKRCRHPGELRNGQVEIK TDLSFGSQIEFSCSEGFFLI GSTTSRCEVQDRGVGWSHPL PQCEILEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6712 1 2 . ASN . 6712 1 3 . CYS . 6712 1 4 . GLY . 6712 1 5 . PRO . 6712 1 6 . PRO . 6712 1 7 . PRO . 6712 1 8 . THR . 6712 1 9 . LEU . 6712 1 10 . SER . 6712 1 11 . PHE . 6712 1 12 . ALA . 6712 1 13 . ALA . 6712 1 14 . PRO . 6712 1 15 . MET . 6712 1 16 . ASP . 6712 1 17 . ILE . 6712 1 18 . THR . 6712 1 19 . LEU . 6712 1 20 . THR . 6712 1 21 . GLU . 6712 1 22 . THR . 6712 1 23 . ARG . 6712 1 24 . PHE . 6712 1 25 . LYS . 6712 1 26 . THR . 6712 1 27 . GLY . 6712 1 28 . THR . 6712 1 29 . THR . 6712 1 30 . LEU . 6712 1 31 . LYS . 6712 1 32 . TYR . 6712 1 33 . THR . 6712 1 34 . CYS . 6712 1 35 . LEU . 6712 1 36 . PRO . 6712 1 37 . GLY . 6712 1 38 . TYR . 6712 1 39 . VAL . 6712 1 40 . ARG . 6712 1 41 . SER . 6712 1 42 . HIS . 6712 1 43 . SER . 6712 1 44 . THR . 6712 1 45 . GLN . 6712 1 46 . THR . 6712 1 47 . LEU . 6712 1 48 . THR . 6712 1 49 . CYS . 6712 1 50 . ASN . 6712 1 51 . SER . 6712 1 52 . ASP . 6712 1 53 . GLY . 6712 1 54 . GLU . 6712 1 55 . TRP . 6712 1 56 . VAL . 6712 1 57 . TYR . 6712 1 58 . ASN . 6712 1 59 . THR . 6712 1 60 . PHE . 6712 1 61 . CYS . 6712 1 62 . ILE . 6712 1 63 . TYR . 6712 1 64 . LYS . 6712 1 65 . ARG . 6712 1 66 . CYS . 6712 1 67 . ARG . 6712 1 68 . HIS . 6712 1 69 . PRO . 6712 1 70 . GLY . 6712 1 71 . GLU . 6712 1 72 . LEU . 6712 1 73 . ARG . 6712 1 74 . ASN . 6712 1 75 . GLY . 6712 1 76 . GLN . 6712 1 77 . VAL . 6712 1 78 . GLU . 6712 1 79 . ILE . 6712 1 80 . LYS . 6712 1 81 . THR . 6712 1 82 . ASP . 6712 1 83 . LEU . 6712 1 84 . SER . 6712 1 85 . PHE . 6712 1 86 . GLY . 6712 1 87 . SER . 6712 1 88 . GLN . 6712 1 89 . ILE . 6712 1 90 . GLU . 6712 1 91 . PHE . 6712 1 92 . SER . 6712 1 93 . CYS . 6712 1 94 . SER . 6712 1 95 . GLU . 6712 1 96 . GLY . 6712 1 97 . PHE . 6712 1 98 . PHE . 6712 1 99 . LEU . 6712 1 100 . ILE . 6712 1 101 . GLY . 6712 1 102 . SER . 6712 1 103 . THR . 6712 1 104 . THR . 6712 1 105 . SER . 6712 1 106 . ARG . 6712 1 107 . CYS . 6712 1 108 . GLU . 6712 1 109 . VAL . 6712 1 110 . GLN . 6712 1 111 . ASP . 6712 1 112 . ARG . 6712 1 113 . GLY . 6712 1 114 . VAL . 6712 1 115 . GLY . 6712 1 116 . TRP . 6712 1 117 . SER . 6712 1 118 . HIS . 6712 1 119 . PRO . 6712 1 120 . LEU . 6712 1 121 . PRO . 6712 1 122 . GLN . 6712 1 123 . CYS . 6712 1 124 . GLU . 6712 1 125 . ILE . 6712 1 126 . LEU . 6712 1 127 . GLU . 6712 1 128 . HIS . 6712 1 129 . HIS . 6712 1 130 . HIS . 6712 1 131 . HIS . 6712 1 132 . HIS . 6712 1 133 . HIS . 6712 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 6712 1 . ASN 2 2 6712 1 . CYS 3 3 6712 1 . GLY 4 4 6712 1 . PRO 5 5 6712 1 . PRO 6 6 6712 1 . PRO 7 7 6712 1 . THR 8 8 6712 1 . LEU 9 9 6712 1 . SER 10 10 6712 1 . PHE 11 11 6712 1 . ALA 12 12 6712 1 . ALA 13 13 6712 1 . PRO 14 14 6712 1 . MET 15 15 6712 1 . ASP 16 16 6712 1 . ILE 17 17 6712 1 . THR 18 18 6712 1 . LEU 19 19 6712 1 . THR 20 20 6712 1 . GLU 21 21 6712 1 . THR 22 22 6712 1 . ARG 23 23 6712 1 . PHE 24 24 6712 1 . LYS 25 25 6712 1 . THR 26 26 6712 1 . GLY 27 27 6712 1 . THR 28 28 6712 1 . THR 29 29 6712 1 . LEU 30 30 6712 1 . LYS 31 31 6712 1 . TYR 32 32 6712 1 . THR 33 33 6712 1 . CYS 34 34 6712 1 . LEU 35 35 6712 1 . PRO 36 36 6712 1 . GLY 37 37 6712 1 . TYR 38 38 6712 1 . VAL 39 39 6712 1 . ARG 40 40 6712 1 . SER 41 41 6712 1 . HIS 42 42 6712 1 . SER 43 43 6712 1 . THR 44 44 6712 1 . GLN 45 45 6712 1 . THR 46 46 6712 1 . LEU 47 47 6712 1 . THR 48 48 6712 1 . CYS 49 49 6712 1 . ASN 50 50 6712 1 . SER 51 51 6712 1 . ASP 52 52 6712 1 . GLY 53 53 6712 1 . GLU 54 54 6712 1 . TRP 55 55 6712 1 . VAL 56 56 6712 1 . TYR 57 57 6712 1 . ASN 58 58 6712 1 . THR 59 59 6712 1 . PHE 60 60 6712 1 . CYS 61 61 6712 1 . ILE 62 62 6712 1 . TYR 63 63 6712 1 . LYS 64 64 6712 1 . ARG 65 65 6712 1 . CYS 66 66 6712 1 . ARG 67 67 6712 1 . HIS 68 68 6712 1 . PRO 69 69 6712 1 . GLY 70 70 6712 1 . GLU 71 71 6712 1 . LEU 72 72 6712 1 . ARG 73 73 6712 1 . ASN 74 74 6712 1 . GLY 75 75 6712 1 . GLN 76 76 6712 1 . VAL 77 77 6712 1 . GLU 78 78 6712 1 . ILE 79 79 6712 1 . LYS 80 80 6712 1 . THR 81 81 6712 1 . ASP 82 82 6712 1 . LEU 83 83 6712 1 . SER 84 84 6712 1 . PHE 85 85 6712 1 . GLY 86 86 6712 1 . SER 87 87 6712 1 . GLN 88 88 6712 1 . ILE 89 89 6712 1 . GLU 90 90 6712 1 . PHE 91 91 6712 1 . SER 92 92 6712 1 . CYS 93 93 6712 1 . SER 94 94 6712 1 . GLU 95 95 6712 1 . GLY 96 96 6712 1 . PHE 97 97 6712 1 . PHE 98 98 6712 1 . LEU 99 99 6712 1 . ILE 100 100 6712 1 . GLY 101 101 6712 1 . SER 102 102 6712 1 . THR 103 103 6712 1 . THR 104 104 6712 1 . SER 105 105 6712 1 . ARG 106 106 6712 1 . CYS 107 107 6712 1 . GLU 108 108 6712 1 . VAL 109 109 6712 1 . GLN 110 110 6712 1 . ASP 111 111 6712 1 . ARG 112 112 6712 1 . GLY 113 113 6712 1 . VAL 114 114 6712 1 . GLY 115 115 6712 1 . TRP 116 116 6712 1 . SER 117 117 6712 1 . HIS 118 118 6712 1 . PRO 119 119 6712 1 . LEU 120 120 6712 1 . PRO 121 121 6712 1 . GLN 122 122 6712 1 . CYS 123 123 6712 1 . GLU 124 124 6712 1 . ILE 125 125 6712 1 . LEU 126 126 6712 1 . GLU 127 127 6712 1 . HIS 128 128 6712 1 . HIS 129 129 6712 1 . HIS 130 130 6712 1 . HIS 131 131 6712 1 . HIS 132 132 6712 1 . HIS 133 133 6712 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 6712 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $C4BP12 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . Plasma . . . . . . . . . . . . . . . . 6712 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 6712 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $C4BP12 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6712 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 C4BP12 '[U-13C; U-15N]' . . 1 $C4BP12 . . 2.5 . . mM . . . . 6712 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6712 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 0.1 pH 6712 1 temperature 310 0.5 K 6712 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 6712 _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_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 6712 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6712 _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 15N-HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 2 '2D 13C-HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 4 '3D CBCANH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 6 '3D HBHANH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 7 '3D H(CC)CONH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 8 '3D (H)C(CC)ONH' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 9 '3D HNCO' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 10 '3D HNCACO' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 12 '2D CG(CB)H' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 13 '2D CG(CD)H' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 14 '2D CG(Caro)H-TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 15 '3D 13C-NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 16 '3D 15N-NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 17 '3D 15N-TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6712 1 stop_ save_ save_15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_HSQC _NMR_spec_expt.Entry_ID 6712 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6712 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449527 . . . . . . . . . 6712 1 H 1 H20 protons . . . . ppm 4.628 internal direct 1.0 . . . . . . . . . 6712 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 6712 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6712 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.072 0.012 . 1 . . . . 1 MET HA . 6712 1 2 . 1 1 1 1 MET HB2 H 1 1.959 0.017 . 1 . . . . 1 MET HB2 . 6712 1 3 . 1 1 1 1 MET HB3 H 1 1.959 0.017 . 1 . . . . 1 MET HB3 . 6712 1 4 . 1 1 1 1 MET HG2 H 1 2.543 0.002 . 1 . . . . 1 MET HG2 . 6712 1 5 . 1 1 1 1 MET HG3 H 1 2.543 0.002 . 1 . . . . 1 MET HG3 . 6712 1 6 . 1 1 1 1 MET C C 13 171.223 0.048 . 1 . . . . 1 MET C . 6712 1 7 . 1 1 1 1 MET CA C 13 54.845 0.074 . 1 . . . . 1 MET CA . 6712 1 8 . 1 1 1 1 MET CB C 13 32.698 0.155 . 1 . . . . 1 MET CB . 6712 1 9 . 1 1 1 1 MET CG C 13 30.900 0.034 . 1 . . . . 1 MET CG . 6712 1 10 . 1 1 2 2 ASN H H 1 8.269 0.022 . 1 . . . . 2 ASN H . 6712 1 11 . 1 1 2 2 ASN HA H 1 4.907 0.027 . 1 . . . . 2 ASN HA . 6712 1 12 . 1 1 2 2 ASN HB2 H 1 2.615 0.031 . 2 . . . . 2 ASN HB2 . 6712 1 13 . 1 1 2 2 ASN HB3 H 1 2.761 0.029 . 2 . . . . 2 ASN HB3 . 6712 1 14 . 1 1 2 2 ASN HD21 H 1 7.260 0.016 . 1 . . . . 2 ASN HD21 . 6712 1 15 . 1 1 2 2 ASN HD22 H 1 6.925 0.006 . 1 . . . . 2 ASN HD22 . 6712 1 16 . 1 1 2 2 ASN C C 13 174.821 0.013 . 1 . . . . 2 ASN C . 6712 1 17 . 1 1 2 2 ASN CA C 13 53.035 0.119 . 1 . . . . 2 ASN CA . 6712 1 18 . 1 1 2 2 ASN CB C 13 40.367 0.148 . 1 . . . . 2 ASN CB . 6712 1 19 . 1 1 2 2 ASN N N 15 119.570 0.011 . 1 . . . . 2 ASN N . 6712 1 20 . 1 1 2 2 ASN ND2 N 15 113.116 0.032 . 1 . . . . 2 ASN ND2 . 6712 1 21 . 1 1 3 3 CYS H H 1 8.848 0.026 . 1 . . . . 3 CYS H . 6712 1 22 . 1 1 3 3 CYS HA H 1 4.561 0.037 . 1 . . . . 3 CYS HA . 6712 1 23 . 1 1 3 3 CYS HB2 H 1 2.240 0.026 . 2 . . . . 3 CYS HB2 . 6712 1 24 . 1 1 3 3 CYS HB3 H 1 3.040 0.027 . 2 . . . . 3 CYS HB3 . 6712 1 25 . 1 1 3 3 CYS C C 13 175.939 0.016 . 1 . . . . 3 CYS C . 6712 1 26 . 1 1 3 3 CYS CA C 13 58.493 0.188 . 1 . . . . 3 CYS CA . 6712 1 27 . 1 1 3 3 CYS CB C 13 45.860 0.133 . 1 . . . . 3 CYS CB . 6712 1 28 . 1 1 3 3 CYS N N 15 116.362 0.016 . 1 . . . . 3 CYS N . 6712 1 29 . 1 1 4 4 GLY H H 1 8.533 0.015 . 1 . . . . 4 GLY H . 6712 1 30 . 1 1 4 4 GLY HA2 H 1 3.962 0.012 . 2 . . . . 4 GLY HA2 . 6712 1 31 . 1 1 4 4 GLY HA3 H 1 4.864 0.016 . 2 . . . . 4 GLY HA3 . 6712 1 32 . 1 1 4 4 GLY C C 13 170.701 0.100 . 1 . . . . 4 GLY C . 6712 1 33 . 1 1 4 4 GLY CA C 13 44.122 0.115 . 1 . . . . 4 GLY CA . 6712 1 34 . 1 1 4 4 GLY N N 15 110.159 0.004 . 1 . . . . 4 GLY N . 6712 1 35 . 1 1 5 5 PRO HA H 1 4.651 0.012 . 1 . . . . 5 PRO HA . 6712 1 36 . 1 1 5 5 PRO HB2 H 1 1.782 0.011 . 2 . . . . 5 PRO HB2 . 6712 1 37 . 1 1 5 5 PRO HB3 H 1 2.438 0.011 . 2 . . . . 5 PRO HB3 . 6712 1 38 . 1 1 5 5 PRO HG2 H 1 2.061 0.004 . 2 . . . . 5 PRO HG2 . 6712 1 39 . 1 1 5 5 PRO HG3 H 1 2.193 0.008 . 2 . . . . 5 PRO HG3 . 6712 1 40 . 1 1 5 5 PRO HD2 H 1 3.639 0.009 . 2 . . . . 5 PRO HD2 . 6712 1 41 . 1 1 5 5 PRO HD3 H 1 3.920 0.019 . 2 . . . . 5 PRO HD3 . 6712 1 42 . 1 1 5 5 PRO CA C 13 61.906 0.050 . 1 . . . . 5 PRO CA . 6712 1 43 . 1 1 5 5 PRO CB C 13 30.847 0.006 . 1 . . . . 5 PRO CB . 6712 1 44 . 1 1 5 5 PRO CG C 13 28.213 0.014 . 1 . . . . 5 PRO CG . 6712 1 45 . 1 1 5 5 PRO CD C 13 49.309 0.037 . 1 . . . . 5 PRO CD . 6712 1 46 . 1 1 6 6 PRO HA H 1 3.480 0.009 . 1 . . . . 6 PRO HA . 6712 1 47 . 1 1 6 6 PRO HB2 H 1 0.235 0.017 . 2 . . . . 6 PRO HB2 . 6712 1 48 . 1 1 6 6 PRO HB3 H 1 1.141 0.010 . 2 . . . . 6 PRO HB3 . 6712 1 49 . 1 1 6 6 PRO HG2 H 1 0.915 0.010 . 2 . . . . 6 PRO HG2 . 6712 1 50 . 1 1 6 6 PRO HG3 H 1 1.384 0.010 . 2 . . . . 6 PRO HG3 . 6712 1 51 . 1 1 6 6 PRO HD2 H 1 3.014 0.018 . 2 . . . . 6 PRO HD2 . 6712 1 52 . 1 1 6 6 PRO HD3 H 1 3.470 0.010 . 2 . . . . 6 PRO HD3 . 6712 1 53 . 1 1 6 6 PRO CA C 13 60.695 0.014 . 1 . . . . 6 PRO CA . 6712 1 54 . 1 1 6 6 PRO CB C 13 30.195 0.031 . 1 . . . . 6 PRO CB . 6712 1 55 . 1 1 6 6 PRO CG C 13 26.576 0.046 . 1 . . . . 6 PRO CG . 6712 1 56 . 1 1 6 6 PRO CD C 13 50.071 0.087 . 1 . . . . 6 PRO CD . 6712 1 57 . 1 1 7 7 PRO HA H 1 4.318 0.013 . 1 . . . . 7 PRO HA . 6712 1 58 . 1 1 7 7 PRO HB2 H 1 1.644 0.026 . 2 . . . . 7 PRO HB2 . 6712 1 59 . 1 1 7 7 PRO HB3 H 1 2.155 0.017 . 2 . . . . 7 PRO HB3 . 6712 1 60 . 1 1 7 7 PRO HG2 H 1 1.477 0.014 . 2 . . . . 7 PRO HG2 . 6712 1 61 . 1 1 7 7 PRO HG3 H 1 1.986 0.016 . 2 . . . . 7 PRO HG3 . 6712 1 62 . 1 1 7 7 PRO HD2 H 1 2.736 0.016 . 2 . . . . 7 PRO HD2 . 6712 1 63 . 1 1 7 7 PRO HD3 H 1 3.393 0.021 . 2 . . . . 7 PRO HD3 . 6712 1 64 . 1 1 7 7 PRO C C 13 176.412 0.040 . 1 . . . . 7 PRO C . 6712 1 65 . 1 1 7 7 PRO CA C 13 61.654 0.263 . 1 . . . . 7 PRO CA . 6712 1 66 . 1 1 7 7 PRO CB C 13 31.779 0.047 . 1 . . . . 7 PRO CB . 6712 1 67 . 1 1 7 7 PRO CG C 13 26.449 0.013 . 1 . . . . 7 PRO CG . 6712 1 68 . 1 1 7 7 PRO CD C 13 50.207 0.089 . 1 . . . . 7 PRO CD . 6712 1 69 . 1 1 8 8 THR H H 1 8.291 0.008 . 1 . . . . 8 THR H . 6712 1 70 . 1 1 8 8 THR HA H 1 3.820 0.007 . 1 . . . . 8 THR HA . 6712 1 71 . 1 1 8 8 THR HB H 1 3.859 0.049 . 1 . . . . 8 THR HB . 6712 1 72 . 1 1 8 8 THR HG21 H 1 1.051 0.013 . 1 . . . . 8 THR HG2 . 6712 1 73 . 1 1 8 8 THR HG22 H 1 1.051 0.013 . 1 . . . . 8 THR HG2 . 6712 1 74 . 1 1 8 8 THR HG23 H 1 1.051 0.013 . 1 . . . . 8 THR HG2 . 6712 1 75 . 1 1 8 8 THR C C 13 173.754 0.045 . 1 . . . . 8 THR C . 6712 1 76 . 1 1 8 8 THR CA C 13 63.480 0.161 . 1 . . . . 8 THR CA . 6712 1 77 . 1 1 8 8 THR CB C 13 68.886 0.252 . 1 . . . . 8 THR CB . 6712 1 78 . 1 1 8 8 THR CG2 C 13 21.732 0.011 . 1 . . . . 8 THR CG2 . 6712 1 79 . 1 1 8 8 THR N N 15 117.154 0.020 . 1 . . . . 8 THR N . 6712 1 80 . 1 1 9 9 LEU H H 1 8.427 0.007 . 1 . . . . 9 LEU H . 6712 1 81 . 1 1 9 9 LEU HA H 1 4.358 0.013 . 1 . . . . 9 LEU HA . 6712 1 82 . 1 1 9 9 LEU HB2 H 1 -0.089 0.025 . 2 . . . . 9 LEU HB2 . 6712 1 83 . 1 1 9 9 LEU HB3 H 1 1.239 0.020 . 2 . . . . 9 LEU HB3 . 6712 1 84 . 1 1 9 9 LEU HG H 1 1.033 0.009 . 1 . . . . 9 LEU HG . 6712 1 85 . 1 1 9 9 LEU HD11 H 1 -0.292 0.011 . 2 . . . . 9 LEU HD1 . 6712 1 86 . 1 1 9 9 LEU HD12 H 1 -0.292 0.011 . 2 . . . . 9 LEU HD1 . 6712 1 87 . 1 1 9 9 LEU HD13 H 1 -0.292 0.011 . 2 . . . . 9 LEU HD1 . 6712 1 88 . 1 1 9 9 LEU HD21 H 1 0.072 0.013 . 2 . . . . 9 LEU HD2 . 6712 1 89 . 1 1 9 9 LEU HD22 H 1 0.072 0.013 . 2 . . . . 9 LEU HD2 . 6712 1 90 . 1 1 9 9 LEU HD23 H 1 0.072 0.013 . 2 . . . . 9 LEU HD2 . 6712 1 91 . 1 1 9 9 LEU C C 13 176.840 0.030 . 1 . . . . 9 LEU C . 6712 1 92 . 1 1 9 9 LEU CA C 13 52.772 0.174 . 1 . . . . 9 LEU CA . 6712 1 93 . 1 1 9 9 LEU CB C 13 42.881 0.063 . 1 . . . . 9 LEU CB . 6712 1 94 . 1 1 9 9 LEU CG C 13 26.192 0.103 . 1 . . . . 9 LEU CG . 6712 1 95 . 1 1 9 9 LEU CD1 C 13 25.248 0.143 . 2 . . . . 9 LEU CD1 . 6712 1 96 . 1 1 9 9 LEU CD2 C 13 22.659 0.057 . 2 . . . . 9 LEU CD2 . 6712 1 97 . 1 1 9 9 LEU N N 15 128.183 0.051 . 1 . . . . 9 LEU N . 6712 1 98 . 1 1 10 10 SER H H 1 8.569 0.012 . 1 . . . . 10 SER H . 6712 1 99 . 1 1 10 10 SER HA H 1 4.030 0.019 . 1 . . . . 10 SER HA . 6712 1 100 . 1 1 10 10 SER HB2 H 1 3.810 0.011 . 2 . . . . 10 SER HB2 . 6712 1 101 . 1 1 10 10 SER HB3 H 1 3.934 0.010 . 2 . . . . 10 SER HB3 . 6712 1 102 . 1 1 10 10 SER C C 13 173.860 0.017 . 1 . . . . 10 SER C . 6712 1 103 . 1 1 10 10 SER CA C 13 59.410 0.058 . 1 . . . . 10 SER CA . 6712 1 104 . 1 1 10 10 SER CB C 13 63.438 0.047 . 1 . . . . 10 SER CB . 6712 1 105 . 1 1 10 10 SER N N 15 113.524 0.041 . 1 . . . . 10 SER N . 6712 1 106 . 1 1 11 11 PHE H H 1 5.812 0.035 . 1 . . . . 11 PHE H . 6712 1 107 . 1 1 11 11 PHE HA H 1 3.528 0.027 . 1 . . . . 11 PHE HA . 6712 1 108 . 1 1 11 11 PHE HB2 H 1 2.153 0.021 . 2 . . . . 11 PHE HB2 . 6712 1 109 . 1 1 11 11 PHE HB3 H 1 2.509 0.016 . 2 . . . . 11 PHE HB3 . 6712 1 110 . 1 1 11 11 PHE HD1 H 1 6.657 0.015 . 1 . . . . 11 PHE HD . 6712 1 111 . 1 1 11 11 PHE HD2 H 1 6.657 0.015 . 1 . . . . 11 PHE HD . 6712 1 112 . 1 1 11 11 PHE HE1 H 1 6.291 0.022 . 1 . . . . 11 PHE HE . 6712 1 113 . 1 1 11 11 PHE HE2 H 1 6.291 0.022 . 1 . . . . 11 PHE HE . 6712 1 114 . 1 1 11 11 PHE HZ H 1 6.997 0.017 . 1 . . . . 11 PHE HZ . 6712 1 115 . 1 1 11 11 PHE C C 13 173.683 0.100 . 1 . . . . 11 PHE C . 6712 1 116 . 1 1 11 11 PHE CA C 13 53.869 0.129 . 1 . . . . 11 PHE CA . 6712 1 117 . 1 1 11 11 PHE CB C 13 41.271 0.063 . 1 . . . . 11 PHE CB . 6712 1 118 . 1 1 11 11 PHE CD1 C 13 132.548 0.063 . 1 . . . . 11 PHE CD . 6712 1 119 . 1 1 11 11 PHE CD2 C 13 132.548 0.063 . 1 . . . . 11 PHE CD . 6712 1 120 . 1 1 11 11 PHE CE1 C 13 131.390 0.000 . 1 . . . . 11 PHE CE . 6712 1 121 . 1 1 11 11 PHE CE2 C 13 131.390 0.000 . 1 . . . . 11 PHE CE . 6712 1 122 . 1 1 11 11 PHE CZ C 13 131.161 0.100 . 1 . . . . 11 PHE CZ . 6712 1 123 . 1 1 11 11 PHE N N 15 109.360 0.103 . 1 . . . . 11 PHE N . 6712 1 124 . 1 1 12 12 ALA H H 1 6.462 0.036 . 1 . . . . 12 ALA H . 6712 1 125 . 1 1 12 12 ALA HA H 1 4.905 0.013 . 1 . . . . 12 ALA HA . 6712 1 126 . 1 1 12 12 ALA HB1 H 1 1.230 0.020 . 1 . . . . 12 ALA HB . 6712 1 127 . 1 1 12 12 ALA HB2 H 1 1.230 0.020 . 1 . . . . 12 ALA HB . 6712 1 128 . 1 1 12 12 ALA HB3 H 1 1.230 0.020 . 1 . . . . 12 ALA HB . 6712 1 129 . 1 1 12 12 ALA C C 13 173.298 0.059 . 1 . . . . 12 ALA C . 6712 1 130 . 1 1 12 12 ALA CA C 13 51.710 0.047 . 1 . . . . 12 ALA CA . 6712 1 131 . 1 1 12 12 ALA CB C 13 25.881 0.052 . 1 . . . . 12 ALA CB . 6712 1 132 . 1 1 12 12 ALA N N 15 120.894 0.017 . 1 . . . . 12 ALA N . 6712 1 133 . 1 1 13 13 ALA H H 1 8.633 0.022 . 1 . . . . 13 ALA H . 6712 1 134 . 1 1 13 13 ALA HA H 1 4.610 0.024 . 1 . . . . 13 ALA HA . 6712 1 135 . 1 1 13 13 ALA HB1 H 1 1.168 0.017 . 1 . . . . 13 ALA HB . 6712 1 136 . 1 1 13 13 ALA HB2 H 1 1.168 0.017 . 1 . . . . 13 ALA HB . 6712 1 137 . 1 1 13 13 ALA HB3 H 1 1.168 0.017 . 1 . . . . 13 ALA HB . 6712 1 138 . 1 1 13 13 ALA CA C 13 49.343 0.094 . 1 . . . . 13 ALA CA . 6712 1 139 . 1 1 13 13 ALA CB C 13 20.809 0.073 . 1 . . . . 13 ALA CB . 6712 1 140 . 1 1 13 13 ALA N N 15 121.272 0.022 . 1 . . . . 13 ALA N . 6712 1 141 . 1 1 14 14 PRO HA H 1 3.121 0.014 . 1 . . . . 14 PRO HA . 6712 1 142 . 1 1 14 14 PRO HB2 H 1 1.539 0.060 . 2 . . . . 14 PRO HB2 . 6712 1 143 . 1 1 14 14 PRO HB3 H 1 1.626 0.024 . 2 . . . . 14 PRO HB3 . 6712 1 144 . 1 1 14 14 PRO HG2 H 1 1.799 0.023 . 1 . . . . 14 PRO HG2 . 6712 1 145 . 1 1 14 14 PRO HG3 H 1 1.799 0.023 . 1 . . . . 14 PRO HG3 . 6712 1 146 . 1 1 14 14 PRO HD2 H 1 3.261 0.014 . 2 . . . . 14 PRO HD2 . 6712 1 147 . 1 1 14 14 PRO HD3 H 1 3.415 0.013 . 2 . . . . 14 PRO HD3 . 6712 1 148 . 1 1 14 14 PRO C C 13 176.792 0.017 . 1 . . . . 14 PRO C . 6712 1 149 . 1 1 14 14 PRO CA C 13 62.243 0.111 . 1 . . . . 14 PRO CA . 6712 1 150 . 1 1 14 14 PRO CB C 13 31.490 0.055 . 1 . . . . 14 PRO CB . 6712 1 151 . 1 1 14 14 PRO CG C 13 26.568 0.100 . 1 . . . . 14 PRO CG . 6712 1 152 . 1 1 14 14 PRO CD C 13 49.927 0.046 . 1 . . . . 14 PRO CD . 6712 1 153 . 1 1 15 15 MET H H 1 8.228 0.028 . 1 . . . . 15 MET H . 6712 1 154 . 1 1 15 15 MET HA H 1 4.089 0.021 . 1 . . . . 15 MET HA . 6712 1 155 . 1 1 15 15 MET HB2 H 1 1.567 0.022 . 2 . . . . 15 MET HB2 . 6712 1 156 . 1 1 15 15 MET HB3 H 1 1.854 0.011 . 2 . . . . 15 MET HB3 . 6712 1 157 . 1 1 15 15 MET HG2 H 1 2.241 0.011 . 1 . . . . 15 MET HG2 . 6712 1 158 . 1 1 15 15 MET HG3 H 1 2.241 0.011 . 1 . . . . 15 MET HG3 . 6712 1 159 . 1 1 15 15 MET C C 13 176.189 0.035 . 1 . . . . 15 MET C . 6712 1 160 . 1 1 15 15 MET CA C 13 56.858 0.101 . 1 . . . . 15 MET CA . 6712 1 161 . 1 1 15 15 MET CB C 13 33.793 0.217 . 1 . . . . 15 MET CB . 6712 1 162 . 1 1 15 15 MET CG C 13 32.267 0.109 . 1 . . . . 15 MET CG . 6712 1 163 . 1 1 15 15 MET N N 15 120.637 0.012 . 1 . . . . 15 MET N . 6712 1 164 . 1 1 16 16 ASP H H 1 8.137 0.021 . 1 . . . . 16 ASP H . 6712 1 165 . 1 1 16 16 ASP HA H 1 4.562 0.022 . 1 . . . . 16 ASP HA . 6712 1 166 . 1 1 16 16 ASP HB2 H 1 2.482 0.016 . 2 . . . . 16 ASP HB2 . 6712 1 167 . 1 1 16 16 ASP HB3 H 1 2.700 0.025 . 2 . . . . 16 ASP HB3 . 6712 1 168 . 1 1 16 16 ASP C C 13 173.719 0.314 . 1 . . . . 16 ASP C . 6712 1 169 . 1 1 16 16 ASP CA C 13 54.069 0.172 . 1 . . . . 16 ASP CA . 6712 1 170 . 1 1 16 16 ASP CB C 13 40.876 0.093 . 1 . . . . 16 ASP CB . 6712 1 171 . 1 1 16 16 ASP N N 15 118.066 0.058 . 1 . . . . 16 ASP N . 6712 1 172 . 1 1 17 17 ILE H H 1 7.814 0.014 . 1 . . . . 17 ILE H . 6712 1 173 . 1 1 17 17 ILE HA H 1 4.119 0.013 . 1 . . . . 17 ILE HA . 6712 1 174 . 1 1 17 17 ILE HB H 1 1.900 0.020 . 1 . . . . 17 ILE HB . 6712 1 175 . 1 1 17 17 ILE HG12 H 1 1.093 0.014 . 2 . . . . 17 ILE HG12 . 6712 1 176 . 1 1 17 17 ILE HG13 H 1 1.346 0.010 . 2 . . . . 17 ILE HG13 . 6712 1 177 . 1 1 17 17 ILE HG21 H 1 0.829 0.007 . 1 . . . . 17 ILE HG2 . 6712 1 178 . 1 1 17 17 ILE HG22 H 1 0.829 0.007 . 1 . . . . 17 ILE HG2 . 6712 1 179 . 1 1 17 17 ILE HG23 H 1 0.829 0.007 . 1 . . . . 17 ILE HG2 . 6712 1 180 . 1 1 17 17 ILE HD11 H 1 0.782 0.034 . 1 . . . . 17 ILE HD1 . 6712 1 181 . 1 1 17 17 ILE HD12 H 1 0.782 0.034 . 1 . . . . 17 ILE HD1 . 6712 1 182 . 1 1 17 17 ILE HD13 H 1 0.782 0.034 . 1 . . . . 17 ILE HD1 . 6712 1 183 . 1 1 17 17 ILE C C 13 176.070 0.024 . 1 . . . . 17 ILE C . 6712 1 184 . 1 1 17 17 ILE CA C 13 61.888 0.156 . 1 . . . . 17 ILE CA . 6712 1 185 . 1 1 17 17 ILE CB C 13 38.858 0.116 . 1 . . . . 17 ILE CB . 6712 1 186 . 1 1 17 17 ILE CG1 C 13 27.246 0.063 . 1 . . . . 17 ILE CG1 . 6712 1 187 . 1 1 17 17 ILE CG2 C 13 17.584 0.079 . 1 . . . . 17 ILE CG2 . 6712 1 188 . 1 1 17 17 ILE CD1 C 13 13.486 0.205 . 1 . . . . 17 ILE CD1 . 6712 1 189 . 1 1 17 17 ILE N N 15 118.445 0.130 . 1 . . . . 17 ILE N . 6712 1 190 . 1 1 18 18 THR H H 1 8.211 0.022 . 1 . . . . 18 THR H . 6712 1 191 . 1 1 18 18 THR HA H 1 4.344 0.010 . 1 . . . . 18 THR HA . 6712 1 192 . 1 1 18 18 THR HB H 1 4.170 0.032 . 1 . . . . 18 THR HB . 6712 1 193 . 1 1 18 18 THR HG21 H 1 1.145 0.031 . 1 . . . . 18 THR HG2 . 6712 1 194 . 1 1 18 18 THR HG22 H 1 1.145 0.031 . 1 . . . . 18 THR HG2 . 6712 1 195 . 1 1 18 18 THR HG23 H 1 1.145 0.031 . 1 . . . . 18 THR HG2 . 6712 1 196 . 1 1 18 18 THR C C 13 174.535 0.029 . 1 . . . . 18 THR C . 6712 1 197 . 1 1 18 18 THR CA C 13 61.447 0.265 . 1 . . . . 18 THR CA . 6712 1 198 . 1 1 18 18 THR CB C 13 69.656 0.202 . 1 . . . . 18 THR CB . 6712 1 199 . 1 1 18 18 THR CG2 C 13 21.898 0.100 . 1 . . . . 18 THR CG2 . 6712 1 200 . 1 1 18 18 THR N N 15 116.490 0.017 . 1 . . . . 18 THR N . 6712 1 201 . 1 1 19 19 LEU H H 1 8.069 0.028 . 1 . . . . 19 LEU H . 6712 1 202 . 1 1 19 19 LEU HA H 1 4.418 0.021 . 1 . . . . 19 LEU HA . 6712 1 203 . 1 1 19 19 LEU HB2 H 1 1.622 0.034 . 2 . . . . 19 LEU HB2 . 6712 1 204 . 1 1 19 19 LEU HB3 H 1 1.690 0.009 . 2 . . . . 19 LEU HB3 . 6712 1 205 . 1 1 19 19 LEU HD11 H 1 0.891 0.016 . 2 . . . . 19 LEU HD1 . 6712 1 206 . 1 1 19 19 LEU HD12 H 1 0.891 0.016 . 2 . . . . 19 LEU HD1 . 6712 1 207 . 1 1 19 19 LEU HD13 H 1 0.891 0.016 . 2 . . . . 19 LEU HD1 . 6712 1 208 . 1 1 19 19 LEU HD21 H 1 0.856 0.013 . 2 . . . . 19 LEU HD2 . 6712 1 209 . 1 1 19 19 LEU HD22 H 1 0.856 0.013 . 2 . . . . 19 LEU HD2 . 6712 1 210 . 1 1 19 19 LEU HD23 H 1 0.856 0.013 . 2 . . . . 19 LEU HD2 . 6712 1 211 . 1 1 19 19 LEU C C 13 177.447 0.027 . 1 . . . . 19 LEU C . 6712 1 212 . 1 1 19 19 LEU CA C 13 55.479 0.145 . 1 . . . . 19 LEU CA . 6712 1 213 . 1 1 19 19 LEU CB C 13 42.100 0.092 . 1 . . . . 19 LEU CB . 6712 1 214 . 1 1 19 19 LEU CG C 13 27.234 0.100 . 1 . . . . 19 LEU CG . 6712 1 215 . 1 1 19 19 LEU CD1 C 13 25.140 0.036 . 2 . . . . 19 LEU CD1 . 6712 1 216 . 1 1 19 19 LEU CD2 C 13 23.783 0.016 . 2 . . . . 19 LEU CD2 . 6712 1 217 . 1 1 19 19 LEU N N 15 124.578 0.024 . 1 . . . . 19 LEU N . 6712 1 218 . 1 1 20 20 THR H H 1 8.091 0.010 . 1 . . . . 20 THR H . 6712 1 219 . 1 1 20 20 THR HA H 1 4.306 0.109 . 1 . . . . 20 THR HA . 6712 1 220 . 1 1 20 20 THR HB H 1 4.292 0.018 . 1 . . . . 20 THR HB . 6712 1 221 . 1 1 20 20 THR HG21 H 1 1.122 0.028 . 1 . . . . 20 THR HG2 . 6712 1 222 . 1 1 20 20 THR HG22 H 1 1.122 0.028 . 1 . . . . 20 THR HG2 . 6712 1 223 . 1 1 20 20 THR HG23 H 1 1.122 0.028 . 1 . . . . 20 THR HG2 . 6712 1 224 . 1 1 20 20 THR C C 13 174.779 0.024 . 1 . . . . 20 THR C . 6712 1 225 . 1 1 20 20 THR CA C 13 61.994 0.122 . 1 . . . . 20 THR CA . 6712 1 226 . 1 1 20 20 THR CB C 13 69.326 0.129 . 1 . . . . 20 THR CB . 6712 1 227 . 1 1 20 20 THR CG2 C 13 21.664 0.198 . 1 . . . . 20 THR CG2 . 6712 1 228 . 1 1 20 20 THR N N 15 112.439 0.061 . 1 . . . . 20 THR N . 6712 1 229 . 1 1 21 21 GLU H H 1 7.676 0.024 . 1 . . . . 21 GLU H . 6712 1 230 . 1 1 21 21 GLU HA H 1 4.259 0.024 . 1 . . . . 21 GLU HA . 6712 1 231 . 1 1 21 21 GLU HB2 H 1 1.727 0.027 . 1 . . . . 21 GLU HB2 . 6712 1 232 . 1 1 21 21 GLU HB3 H 1 1.727 0.027 . 1 . . . . 21 GLU HB3 . 6712 1 233 . 1 1 21 21 GLU HG2 H 1 2.032 0.011 . 1 . . . . 21 GLU HG2 . 6712 1 234 . 1 1 21 21 GLU HG3 H 1 2.032 0.011 . 1 . . . . 21 GLU HG3 . 6712 1 235 . 1 1 21 21 GLU C C 13 175.372 0.027 . 1 . . . . 21 GLU C . 6712 1 236 . 1 1 21 21 GLU CA C 13 56.242 0.160 . 1 . . . . 21 GLU CA . 6712 1 237 . 1 1 21 21 GLU CB C 13 30.110 0.114 . 1 . . . . 21 GLU CB . 6712 1 238 . 1 1 21 21 GLU CG C 13 35.456 0.096 . 1 . . . . 21 GLU CG . 6712 1 239 . 1 1 21 21 GLU N N 15 122.101 0.021 . 1 . . . . 21 GLU N . 6712 1 240 . 1 1 22 22 THR H H 1 8.152 0.015 . 1 . . . . 22 THR H . 6712 1 241 . 1 1 22 22 THR HA H 1 4.312 0.004 . 1 . . . . 22 THR HA . 6712 1 242 . 1 1 22 22 THR HB H 1 4.273 0.009 . 1 . . . . 22 THR HB . 6712 1 243 . 1 1 22 22 THR HG1 H 1 4.640 0.002 . 1 . . . . 22 THR HG1 . 6712 1 244 . 1 1 22 22 THR HG21 H 1 1.061 0.004 . 1 . . . . 22 THR HG2 . 6712 1 245 . 1 1 22 22 THR HG22 H 1 1.061 0.004 . 1 . . . . 22 THR HG2 . 6712 1 246 . 1 1 22 22 THR HG23 H 1 1.061 0.004 . 1 . . . . 22 THR HG2 . 6712 1 247 . 1 1 22 22 THR C C 13 173.411 0.069 . 1 . . . . 22 THR C . 6712 1 248 . 1 1 22 22 THR CA C 13 61.577 0.213 . 1 . . . . 22 THR CA . 6712 1 249 . 1 1 22 22 THR CB C 13 69.951 0.154 . 1 . . . . 22 THR CB . 6712 1 250 . 1 1 22 22 THR CG2 C 13 21.683 0.100 . 1 . . . . 22 THR CG2 . 6712 1 251 . 1 1 22 22 THR N N 15 111.061 0.035 . 1 . . . . 22 THR N . 6712 1 252 . 1 1 23 23 ARG H H 1 7.322 0.025 . 1 . . . . 23 ARG H . 6712 1 253 . 1 1 23 23 ARG HA H 1 4.939 0.014 . 1 . . . . 23 ARG HA . 6712 1 254 . 1 1 23 23 ARG HB2 H 1 1.526 0.032 . 2 . . . . 23 ARG HB2 . 6712 1 255 . 1 1 23 23 ARG HB3 H 1 1.530 0.013 . 2 . . . . 23 ARG HB3 . 6712 1 256 . 1 1 23 23 ARG HG2 H 1 1.477 0.037 . 2 . . . . 23 ARG HG2 . 6712 1 257 . 1 1 23 23 ARG HG3 H 1 1.500 0.033 . 2 . . . . 23 ARG HG3 . 6712 1 258 . 1 1 23 23 ARG HD2 H 1 3.051 0.011 . 2 . . . . 23 ARG HD2 . 6712 1 259 . 1 1 23 23 ARG HD3 H 1 3.111 0.009 . 2 . . . . 23 ARG HD3 . 6712 1 260 . 1 1 23 23 ARG HE H 1 7.191 0.000 . 1 . . . . 23 ARG HE . 6712 1 261 . 1 1 23 23 ARG C C 13 174.898 0.026 . 1 . . . . 23 ARG C . 6712 1 262 . 1 1 23 23 ARG CA C 13 54.488 0.077 . 1 . . . . 23 ARG CA . 6712 1 263 . 1 1 23 23 ARG CB C 13 32.656 0.065 . 1 . . . . 23 ARG CB . 6712 1 264 . 1 1 23 23 ARG CG C 13 26.677 0.405 . 1 . . . . 23 ARG CG . 6712 1 265 . 1 1 23 23 ARG CD C 13 43.270 0.163 . 1 . . . . 23 ARG CD . 6712 1 266 . 1 1 23 23 ARG N N 15 120.259 0.016 . 1 . . . . 23 ARG N . 6712 1 267 . 1 1 23 23 ARG NE N 15 84.339 0.000 . 1 . . . . 23 ARG NE . 6712 1 268 . 1 1 24 24 PHE H H 1 8.840 0.024 . 1 . . . . 24 PHE H . 6712 1 269 . 1 1 24 24 PHE HA H 1 4.674 0.026 . 1 . . . . 24 PHE HA . 6712 1 270 . 1 1 24 24 PHE HB2 H 1 2.721 0.029 . 2 . . . . 24 PHE HB2 . 6712 1 271 . 1 1 24 24 PHE HB3 H 1 3.031 0.020 . 2 . . . . 24 PHE HB3 . 6712 1 272 . 1 1 24 24 PHE HD1 H 1 7.314 0.012 . 1 . . . . 24 PHE HD . 6712 1 273 . 1 1 24 24 PHE HD2 H 1 7.314 0.012 . 1 . . . . 24 PHE HD . 6712 1 274 . 1 1 24 24 PHE HE1 H 1 7.210 0.004 . 1 . . . . 24 PHE HE . 6712 1 275 . 1 1 24 24 PHE HE2 H 1 7.210 0.004 . 1 . . . . 24 PHE HE . 6712 1 276 . 1 1 24 24 PHE C C 13 174.583 0.132 . 1 . . . . 24 PHE C . 6712 1 277 . 1 1 24 24 PHE CA C 13 56.617 0.124 . 1 . . . . 24 PHE CA . 6712 1 278 . 1 1 24 24 PHE CB C 13 42.222 0.153 . 1 . . . . 24 PHE CB . 6712 1 279 . 1 1 24 24 PHE CD1 C 13 132.653 0.086 . 1 . . . . 24 PHE CD . 6712 1 280 . 1 1 24 24 PHE CD2 C 13 132.653 0.086 . 1 . . . . 24 PHE CD . 6712 1 281 . 1 1 24 24 PHE CE1 C 13 131.097 0.012 . 1 . . . . 24 PHE CE . 6712 1 282 . 1 1 24 24 PHE CE2 C 13 131.097 0.012 . 1 . . . . 24 PHE CE . 6712 1 283 . 1 1 24 24 PHE N N 15 120.851 0.031 . 1 . . . . 24 PHE N . 6712 1 284 . 1 1 25 25 LYS H H 1 8.548 0.012 . 1 . . . . 25 LYS H . 6712 1 285 . 1 1 25 25 LYS HA H 1 4.389 0.009 . 1 . . . . 25 LYS HA . 6712 1 286 . 1 1 25 25 LYS HB2 H 1 1.737 0.037 . 2 . . . . 25 LYS HB2 . 6712 1 287 . 1 1 25 25 LYS HB3 H 1 1.758 0.024 . 2 . . . . 25 LYS HB3 . 6712 1 288 . 1 1 25 25 LYS HG2 H 1 1.428 0.005 . 2 . . . . 25 LYS HG2 . 6712 1 289 . 1 1 25 25 LYS HG3 H 1 1.501 0.002 . 2 . . . . 25 LYS HG3 . 6712 1 290 . 1 1 25 25 LYS HD2 H 1 1.653 0.011 . 1 . . . . 25 LYS HD2 . 6712 1 291 . 1 1 25 25 LYS HD3 H 1 1.653 0.011 . 1 . . . . 25 LYS HD3 . 6712 1 292 . 1 1 25 25 LYS HE2 H 1 2.980 0.013 . 1 . . . . 25 LYS HE2 . 6712 1 293 . 1 1 25 25 LYS HE3 H 1 2.980 0.013 . 1 . . . . 25 LYS HE3 . 6712 1 294 . 1 1 25 25 LYS C C 13 178.642 0.038 . 1 . . . . 25 LYS C . 6712 1 295 . 1 1 25 25 LYS CA C 13 56.127 0.111 . 1 . . . . 25 LYS CA . 6712 1 296 . 1 1 25 25 LYS CB C 13 33.543 0.094 . 1 . . . . 25 LYS CB . 6712 1 297 . 1 1 25 25 LYS CG C 13 24.635 0.055 . 1 . . . . 25 LYS CG . 6712 1 298 . 1 1 25 25 LYS CD C 13 29.359 0.076 . 1 . . . . 25 LYS CD . 6712 1 299 . 1 1 25 25 LYS CE C 13 41.931 0.122 . 1 . . . . 25 LYS CE . 6712 1 300 . 1 1 25 25 LYS N N 15 120.993 0.123 . 1 . . . . 25 LYS N . 6712 1 301 . 1 1 26 26 THR H H 1 8.597 0.018 . 1 . . . . 26 THR H . 6712 1 302 . 1 1 26 26 THR HA H 1 3.516 0.016 . 1 . . . . 26 THR HA . 6712 1 303 . 1 1 26 26 THR HB H 1 3.791 0.013 . 1 . . . . 26 THR HB . 6712 1 304 . 1 1 26 26 THR HG21 H 1 1.043 0.014 . 1 . . . . 26 THR HG2 . 6712 1 305 . 1 1 26 26 THR HG22 H 1 1.043 0.014 . 1 . . . . 26 THR HG2 . 6712 1 306 . 1 1 26 26 THR HG23 H 1 1.043 0.014 . 1 . . . . 26 THR HG2 . 6712 1 307 . 1 1 26 26 THR C C 13 174.525 0.020 . 1 . . . . 26 THR C . 6712 1 308 . 1 1 26 26 THR CA C 13 65.658 0.068 . 1 . . . . 26 THR CA . 6712 1 309 . 1 1 26 26 THR CB C 13 69.223 0.141 . 1 . . . . 26 THR CB . 6712 1 310 . 1 1 26 26 THR CG2 C 13 21.844 0.046 . 1 . . . . 26 THR CG2 . 6712 1 311 . 1 1 26 26 THR N N 15 120.230 0.020 . 1 . . . . 26 THR N . 6712 1 312 . 1 1 27 27 GLY H H 1 9.176 0.025 . 1 . . . . 27 GLY H . 6712 1 313 . 1 1 27 27 GLY HA2 H 1 3.478 0.023 . 2 . . . . 27 GLY HA2 . 6712 1 314 . 1 1 27 27 GLY HA3 H 1 4.367 0.010 . 2 . . . . 27 GLY HA3 . 6712 1 315 . 1 1 27 27 GLY C C 13 174.676 0.075 . 1 . . . . 27 GLY C . 6712 1 316 . 1 1 27 27 GLY CA C 13 44.530 0.040 . 1 . . . . 27 GLY CA . 6712 1 317 . 1 1 27 27 GLY N N 15 115.811 0.083 . 1 . . . . 27 GLY N . 6712 1 318 . 1 1 28 28 THR H H 1 7.874 0.017 . 1 . . . . 28 THR H . 6712 1 319 . 1 1 28 28 THR HA H 1 4.064 0.014 . 1 . . . . 28 THR HA . 6712 1 320 . 1 1 28 28 THR HB H 1 4.014 0.009 . 1 . . . . 28 THR HB . 6712 1 321 . 1 1 28 28 THR HG21 H 1 1.508 0.008 . 1 . . . . 28 THR HG2 . 6712 1 322 . 1 1 28 28 THR HG22 H 1 1.508 0.008 . 1 . . . . 28 THR HG2 . 6712 1 323 . 1 1 28 28 THR HG23 H 1 1.508 0.008 . 1 . . . . 28 THR HG2 . 6712 1 324 . 1 1 28 28 THR C C 13 173.295 0.014 . 1 . . . . 28 THR C . 6712 1 325 . 1 1 28 28 THR CA C 13 65.811 0.131 . 1 . . . . 28 THR CA . 6712 1 326 . 1 1 28 28 THR CB C 13 69.789 0.120 . 1 . . . . 28 THR CB . 6712 1 327 . 1 1 28 28 THR CG2 C 13 21.890 0.082 . 1 . . . . 28 THR CG2 . 6712 1 328 . 1 1 28 28 THR N N 15 117.949 0.081 . 1 . . . . 28 THR N . 6712 1 329 . 1 1 29 29 THR H H 1 8.733 0.007 . 1 . . . . 29 THR H . 6712 1 330 . 1 1 29 29 THR HA H 1 5.434 0.018 . 1 . . . . 29 THR HA . 6712 1 331 . 1 1 29 29 THR HB H 1 3.950 0.024 . 1 . . . . 29 THR HB . 6712 1 332 . 1 1 29 29 THR HG21 H 1 1.141 0.016 . 1 . . . . 29 THR HG2 . 6712 1 333 . 1 1 29 29 THR HG22 H 1 1.141 0.016 . 1 . . . . 29 THR HG2 . 6712 1 334 . 1 1 29 29 THR HG23 H 1 1.141 0.016 . 1 . . . . 29 THR HG2 . 6712 1 335 . 1 1 29 29 THR C C 13 173.786 0.042 . 1 . . . . 29 THR C . 6712 1 336 . 1 1 29 29 THR CA C 13 60.873 0.091 . 1 . . . . 29 THR CA . 6712 1 337 . 1 1 29 29 THR CB C 13 71.141 0.186 . 1 . . . . 29 THR CB . 6712 1 338 . 1 1 29 29 THR CG2 C 13 21.384 0.021 . 1 . . . . 29 THR CG2 . 6712 1 339 . 1 1 29 29 THR N N 15 122.337 0.007 . 1 . . . . 29 THR N . 6712 1 340 . 1 1 30 30 LEU H H 1 9.272 0.013 . 1 . . . . 30 LEU H . 6712 1 341 . 1 1 30 30 LEU HA H 1 4.765 0.012 . 1 . . . . 30 LEU HA . 6712 1 342 . 1 1 30 30 LEU HB2 H 1 1.303 0.013 . 2 . . . . 30 LEU HB2 . 6712 1 343 . 1 1 30 30 LEU HB3 H 1 1.616 0.015 . 2 . . . . 30 LEU HB3 . 6712 1 344 . 1 1 30 30 LEU HG H 1 1.466 0.029 . 1 . . . . 30 LEU HG . 6712 1 345 . 1 1 30 30 LEU HD11 H 1 0.075 0.014 . 2 . . . . 30 LEU HD1 . 6712 1 346 . 1 1 30 30 LEU HD12 H 1 0.075 0.014 . 2 . . . . 30 LEU HD1 . 6712 1 347 . 1 1 30 30 LEU HD13 H 1 0.075 0.014 . 2 . . . . 30 LEU HD1 . 6712 1 348 . 1 1 30 30 LEU HD21 H 1 0.764 0.012 . 2 . . . . 30 LEU HD2 . 6712 1 349 . 1 1 30 30 LEU HD22 H 1 0.764 0.012 . 2 . . . . 30 LEU HD2 . 6712 1 350 . 1 1 30 30 LEU HD23 H 1 0.764 0.012 . 2 . . . . 30 LEU HD2 . 6712 1 351 . 1 1 30 30 LEU C C 13 176.363 0.002 . 1 . . . . 30 LEU C . 6712 1 352 . 1 1 30 30 LEU CA C 13 53.123 0.085 . 1 . . . . 30 LEU CA . 6712 1 353 . 1 1 30 30 LEU CB C 13 45.691 0.139 . 1 . . . . 30 LEU CB . 6712 1 354 . 1 1 30 30 LEU CG C 13 26.661 0.034 . 1 . . . . 30 LEU CG . 6712 1 355 . 1 1 30 30 LEU CD1 C 13 26.176 0.051 . 2 . . . . 30 LEU CD1 . 6712 1 356 . 1 1 30 30 LEU CD2 C 13 22.594 0.047 . 2 . . . . 30 LEU CD2 . 6712 1 357 . 1 1 30 30 LEU N N 15 126.209 0.037 . 1 . . . . 30 LEU N . 6712 1 358 . 1 1 31 31 LYS H H 1 8.749 0.015 . 1 . . . . 31 LYS H . 6712 1 359 . 1 1 31 31 LYS HA H 1 4.497 0.015 . 1 . . . . 31 LYS HA . 6712 1 360 . 1 1 31 31 LYS HB2 H 1 1.666 0.019 . 2 . . . . 31 LYS HB2 . 6712 1 361 . 1 1 31 31 LYS HB3 H 1 1.848 0.014 . 2 . . . . 31 LYS HB3 . 6712 1 362 . 1 1 31 31 LYS HE2 H 1 2.932 0.009 . 1 . . . . 31 LYS HE2 . 6712 1 363 . 1 1 31 31 LYS HE3 H 1 2.932 0.009 . 1 . . . . 31 LYS HE3 . 6712 1 364 . 1 1 31 31 LYS C C 13 175.889 0.031 . 1 . . . . 31 LYS C . 6712 1 365 . 1 1 31 31 LYS CA C 13 56.834 0.038 . 1 . . . . 31 LYS CA . 6712 1 366 . 1 1 31 31 LYS CB C 13 33.426 0.111 . 1 . . . . 31 LYS CB . 6712 1 367 . 1 1 31 31 LYS CE C 13 41.973 0.033 . 1 . . . . 31 LYS CE . 6712 1 368 . 1 1 31 31 LYS N N 15 122.340 0.028 . 1 . . . . 31 LYS N . 6712 1 369 . 1 1 32 32 TYR H H 1 8.400 0.032 . 1 . . . . 32 TYR H . 6712 1 370 . 1 1 32 32 TYR HA H 1 4.806 0.017 . 1 . . . . 32 TYR HA . 6712 1 371 . 1 1 32 32 TYR HB2 H 1 2.509 0.010 . 2 . . . . 32 TYR HB2 . 6712 1 372 . 1 1 32 32 TYR HB3 H 1 2.645 0.015 . 2 . . . . 32 TYR HB3 . 6712 1 373 . 1 1 32 32 TYR HD1 H 1 6.523 0.023 . 1 . . . . 32 TYR HD . 6712 1 374 . 1 1 32 32 TYR HD2 H 1 6.523 0.023 . 1 . . . . 32 TYR HD . 6712 1 375 . 1 1 32 32 TYR HE1 H 1 6.224 0.010 . 1 . . . . 32 TYR HE . 6712 1 376 . 1 1 32 32 TYR HE2 H 1 6.224 0.010 . 1 . . . . 32 TYR HE . 6712 1 377 . 1 1 32 32 TYR C C 13 174.281 0.022 . 1 . . . . 32 TYR C . 6712 1 378 . 1 1 32 32 TYR CA C 13 56.986 0.117 . 1 . . . . 32 TYR CA . 6712 1 379 . 1 1 32 32 TYR CB C 13 44.266 0.054 . 1 . . . . 32 TYR CB . 6712 1 380 . 1 1 32 32 TYR CD1 C 13 131.537 0.013 . 1 . . . . 32 TYR CD . 6712 1 381 . 1 1 32 32 TYR CD2 C 13 131.537 0.013 . 1 . . . . 32 TYR CD . 6712 1 382 . 1 1 32 32 TYR CE1 C 13 117.765 0.019 . 1 . . . . 32 TYR CE . 6712 1 383 . 1 1 32 32 TYR CE2 C 13 117.765 0.019 . 1 . . . . 32 TYR CE . 6712 1 384 . 1 1 32 32 TYR N N 15 126.205 0.158 . 1 . . . . 32 TYR N . 6712 1 385 . 1 1 33 33 THR H H 1 8.939 0.033 . 1 . . . . 33 THR H . 6712 1 386 . 1 1 33 33 THR HA H 1 4.713 0.022 . 1 . . . . 33 THR HA . 6712 1 387 . 1 1 33 33 THR HB H 1 3.957 0.012 . 1 . . . . 33 THR HB . 6712 1 388 . 1 1 33 33 THR HG21 H 1 1.095 0.016 . 1 . . . . 33 THR HG2 . 6712 1 389 . 1 1 33 33 THR HG22 H 1 1.095 0.016 . 1 . . . . 33 THR HG2 . 6712 1 390 . 1 1 33 33 THR HG23 H 1 1.095 0.016 . 1 . . . . 33 THR HG2 . 6712 1 391 . 1 1 33 33 THR C C 13 173.626 0.086 . 1 . . . . 33 THR C . 6712 1 392 . 1 1 33 33 THR CA C 13 59.465 0.179 . 1 . . . . 33 THR CA . 6712 1 393 . 1 1 33 33 THR CB C 13 71.152 0.129 . 1 . . . . 33 THR CB . 6712 1 394 . 1 1 33 33 THR CG2 C 13 20.312 0.050 . 1 . . . . 33 THR CG2 . 6712 1 395 . 1 1 33 33 THR N N 15 112.204 0.038 . 1 . . . . 33 THR N . 6712 1 396 . 1 1 34 34 CYS H H 1 8.431 0.010 . 1 . . . . 34 CYS H . 6712 1 397 . 1 1 34 34 CYS HA H 1 5.092 0.014 . 1 . . . . 34 CYS HA . 6712 1 398 . 1 1 34 34 CYS HB2 H 1 2.791 0.010 . 2 . . . . 34 CYS HB2 . 6712 1 399 . 1 1 34 34 CYS HB3 H 1 3.231 0.013 . 2 . . . . 34 CYS HB3 . 6712 1 400 . 1 1 34 34 CYS C C 13 175.798 0.000 . 1 . . . . 34 CYS C . 6712 1 401 . 1 1 34 34 CYS CA C 13 53.946 0.173 . 1 . . . . 34 CYS CA . 6712 1 402 . 1 1 34 34 CYS CB C 13 38.496 0.039 . 1 . . . . 34 CYS CB . 6712 1 403 . 1 1 34 34 CYS N N 15 122.214 0.098 . 1 . . . . 34 CYS N . 6712 1 404 . 1 1 35 35 LEU H H 1 7.394 0.019 . 1 . . . . 35 LEU H . 6712 1 405 . 1 1 35 35 LEU HA H 1 4.402 0.016 . 1 . . . . 35 LEU HA . 6712 1 406 . 1 1 35 35 LEU HB2 H 1 1.177 0.012 . 2 . . . . 35 LEU HB2 . 6712 1 407 . 1 1 35 35 LEU HB3 H 1 1.601 0.010 . 2 . . . . 35 LEU HB3 . 6712 1 408 . 1 1 35 35 LEU HG H 1 1.008 0.010 . 1 . . . . 35 LEU HG . 6712 1 409 . 1 1 35 35 LEU HD11 H 1 0.564 0.008 . 2 . . . . 35 LEU HD1 . 6712 1 410 . 1 1 35 35 LEU HD12 H 1 0.564 0.008 . 2 . . . . 35 LEU HD1 . 6712 1 411 . 1 1 35 35 LEU HD13 H 1 0.564 0.008 . 2 . . . . 35 LEU HD1 . 6712 1 412 . 1 1 35 35 LEU HD21 H 1 0.807 0.015 . 2 . . . . 35 LEU HD2 . 6712 1 413 . 1 1 35 35 LEU HD22 H 1 0.807 0.015 . 2 . . . . 35 LEU HD2 . 6712 1 414 . 1 1 35 35 LEU HD23 H 1 0.807 0.015 . 2 . . . . 35 LEU HD2 . 6712 1 415 . 1 1 35 35 LEU C C 13 174.086 0.100 . 1 . . . . 35 LEU C . 6712 1 416 . 1 1 35 35 LEU CA C 13 54.235 0.049 . 1 . . . . 35 LEU CA . 6712 1 417 . 1 1 35 35 LEU CB C 13 40.630 0.013 . 1 . . . . 35 LEU CB . 6712 1 418 . 1 1 35 35 LEU CG C 13 27.648 0.032 . 1 . . . . 35 LEU CG . 6712 1 419 . 1 1 35 35 LEU CD1 C 13 25.348 0.098 . 2 . . . . 35 LEU CD1 . 6712 1 420 . 1 1 35 35 LEU CD2 C 13 22.453 0.064 . 2 . . . . 35 LEU CD2 . 6712 1 421 . 1 1 35 35 LEU N N 15 124.866 0.034 . 1 . . . . 35 LEU N . 6712 1 422 . 1 1 36 36 PRO HA H 1 4.338 0.013 . 1 . . . . 36 PRO HA . 6712 1 423 . 1 1 36 36 PRO HB2 H 1 1.790 0.017 . 2 . . . . 36 PRO HB2 . 6712 1 424 . 1 1 36 36 PRO HB3 H 1 2.283 0.016 . 2 . . . . 36 PRO HB3 . 6712 1 425 . 1 1 36 36 PRO HG2 H 1 1.946 0.024 . 2 . . . . 36 PRO HG2 . 6712 1 426 . 1 1 36 36 PRO HG3 H 1 2.114 0.019 . 2 . . . . 36 PRO HG3 . 6712 1 427 . 1 1 36 36 PRO HD2 H 1 3.571 0.012 . 2 . . . . 36 PRO HD2 . 6712 1 428 . 1 1 36 36 PRO HD3 H 1 3.772 0.015 . 2 . . . . 36 PRO HD3 . 6712 1 429 . 1 1 36 36 PRO C C 13 177.020 0.100 . 1 . . . . 36 PRO C . 6712 1 430 . 1 1 36 36 PRO CA C 13 64.661 0.129 . 1 . . . . 36 PRO CA . 6712 1 431 . 1 1 36 36 PRO CB C 13 31.751 0.136 . 1 . . . . 36 PRO CB . 6712 1 432 . 1 1 36 36 PRO CG C 13 28.148 0.182 . 1 . . . . 36 PRO CG . 6712 1 433 . 1 1 36 36 PRO CD C 13 50.606 0.080 . 1 . . . . 36 PRO CD . 6712 1 434 . 1 1 37 37 GLY H H 1 8.283 0.033 . 1 . . . . 37 GLY H . 6712 1 435 . 1 1 37 37 GLY HA2 H 1 3.248 0.022 . 2 . . . . 37 GLY HA2 . 6712 1 436 . 1 1 37 37 GLY HA3 H 1 3.695 0.023 . 2 . . . . 37 GLY HA3 . 6712 1 437 . 1 1 37 37 GLY C C 13 171.711 0.011 . 1 . . . . 37 GLY C . 6712 1 438 . 1 1 37 37 GLY CA C 13 44.922 0.121 . 1 . . . . 37 GLY CA . 6712 1 439 . 1 1 37 37 GLY N N 15 111.291 0.057 . 1 . . . . 37 GLY N . 6712 1 440 . 1 1 38 38 TYR H H 1 8.140 0.030 . 1 . . . . 38 TYR H . 6712 1 441 . 1 1 38 38 TYR HA H 1 5.009 0.015 . 1 . . . . 38 TYR HA . 6712 1 442 . 1 1 38 38 TYR HB2 H 1 2.634 0.022 . 2 . . . . 38 TYR HB2 . 6712 1 443 . 1 1 38 38 TYR HB3 H 1 3.412 0.012 . 2 . . . . 38 TYR HB3 . 6712 1 444 . 1 1 38 38 TYR HD1 H 1 6.688 0.010 . 1 . . . . 38 TYR HD . 6712 1 445 . 1 1 38 38 TYR HD2 H 1 6.688 0.010 . 1 . . . . 38 TYR HD . 6712 1 446 . 1 1 38 38 TYR HE1 H 1 6.724 0.009 . 1 . . . . 38 TYR HE . 6712 1 447 . 1 1 38 38 TYR HE2 H 1 6.724 0.009 . 1 . . . . 38 TYR HE . 6712 1 448 . 1 1 38 38 TYR C C 13 175.220 0.016 . 1 . . . . 38 TYR C . 6712 1 449 . 1 1 38 38 TYR CA C 13 56.640 0.056 . 1 . . . . 38 TYR CA . 6712 1 450 . 1 1 38 38 TYR CB C 13 40.749 0.053 . 1 . . . . 38 TYR CB . 6712 1 451 . 1 1 38 38 TYR CD1 C 13 133.152 0.013 . 1 . . . . 38 TYR CD . 6712 1 452 . 1 1 38 38 TYR CD2 C 13 133.152 0.013 . 1 . . . . 38 TYR CD . 6712 1 453 . 1 1 38 38 TYR CE1 C 13 118.177 0.007 . 1 . . . . 38 TYR CE . 6712 1 454 . 1 1 38 38 TYR CE2 C 13 118.177 0.007 . 1 . . . . 38 TYR CE . 6712 1 455 . 1 1 38 38 TYR N N 15 116.682 0.037 . 1 . . . . 38 TYR N . 6712 1 456 . 1 1 39 39 VAL H H 1 9.246 0.010 . 1 . . . . 39 VAL H . 6712 1 457 . 1 1 39 39 VAL HA H 1 4.346 0.020 . 1 . . . . 39 VAL HA . 6712 1 458 . 1 1 39 39 VAL HB H 1 1.722 0.018 . 1 . . . . 39 VAL HB . 6712 1 459 . 1 1 39 39 VAL HG11 H 1 0.526 0.029 . 2 . . . . 39 VAL HG1 . 6712 1 460 . 1 1 39 39 VAL HG12 H 1 0.526 0.029 . 2 . . . . 39 VAL HG1 . 6712 1 461 . 1 1 39 39 VAL HG13 H 1 0.526 0.029 . 2 . . . . 39 VAL HG1 . 6712 1 462 . 1 1 39 39 VAL HG21 H 1 0.556 0.019 . 2 . . . . 39 VAL HG2 . 6712 1 463 . 1 1 39 39 VAL HG22 H 1 0.556 0.019 . 2 . . . . 39 VAL HG2 . 6712 1 464 . 1 1 39 39 VAL HG23 H 1 0.556 0.019 . 2 . . . . 39 VAL HG2 . 6712 1 465 . 1 1 39 39 VAL C C 13 175.111 0.048 . 1 . . . . 39 VAL C . 6712 1 466 . 1 1 39 39 VAL CA C 13 59.351 0.140 . 1 . . . . 39 VAL CA . 6712 1 467 . 1 1 39 39 VAL CB C 13 34.840 0.058 . 1 . . . . 39 VAL CB . 6712 1 468 . 1 1 39 39 VAL CG1 C 13 20.548 0.144 . 2 . . . . 39 VAL CG1 . 6712 1 469 . 1 1 39 39 VAL CG2 C 13 20.429 0.042 . 2 . . . . 39 VAL CG2 . 6712 1 470 . 1 1 39 39 VAL N N 15 118.076 0.000 . 1 . . . . 39 VAL N . 6712 1 471 . 1 1 40 40 ARG H H 1 8.381 0.015 . 1 . . . . 40 ARG H . 6712 1 472 . 1 1 40 40 ARG HA H 1 4.659 0.018 . 1 . . . . 40 ARG HA . 6712 1 473 . 1 1 40 40 ARG HB2 H 1 1.919 0.009 . 1 . . . . 40 ARG HB2 . 6712 1 474 . 1 1 40 40 ARG HB3 H 1 1.919 0.009 . 1 . . . . 40 ARG HB3 . 6712 1 475 . 1 1 40 40 ARG HG2 H 1 1.721 0.005 . 2 . . . . 40 ARG HG2 . 6712 1 476 . 1 1 40 40 ARG HG3 H 1 1.800 0.009 . 2 . . . . 40 ARG HG3 . 6712 1 477 . 1 1 40 40 ARG HD2 H 1 3.182 0.014 . 1 . . . . 40 ARG HD2 . 6712 1 478 . 1 1 40 40 ARG HD3 H 1 3.182 0.014 . 1 . . . . 40 ARG HD3 . 6712 1 479 . 1 1 40 40 ARG HE H 1 7.061 0.003 . 1 . . . . 40 ARG HE . 6712 1 480 . 1 1 40 40 ARG C C 13 176.557 0.039 . 1 . . . . 40 ARG C . 6712 1 481 . 1 1 40 40 ARG CA C 13 57.552 0.129 . 1 . . . . 40 ARG CA . 6712 1 482 . 1 1 40 40 ARG CB C 13 30.911 0.133 . 1 . . . . 40 ARG CB . 6712 1 483 . 1 1 40 40 ARG CG C 13 26.981 0.047 . 1 . . . . 40 ARG CG . 6712 1 484 . 1 1 40 40 ARG CD C 13 43.990 0.123 . 1 . . . . 40 ARG CD . 6712 1 485 . 1 1 40 40 ARG N N 15 125.115 0.058 . 1 . . . . 40 ARG N . 6712 1 486 . 1 1 40 40 ARG NE N 15 84.766 0.031 . 1 . . . . 40 ARG NE . 6712 1 487 . 1 1 41 41 SER H H 1 8.436 0.018 . 1 . . . . 41 SER H . 6712 1 488 . 1 1 41 41 SER HA H 1 4.515 0.013 . 1 . . . . 41 SER HA . 6712 1 489 . 1 1 41 41 SER HB2 H 1 3.463 0.014 . 2 . . . . 41 SER HB2 . 6712 1 490 . 1 1 41 41 SER HB3 H 1 3.910 0.017 . 2 . . . . 41 SER HB3 . 6712 1 491 . 1 1 41 41 SER C C 13 174.232 0.059 . 1 . . . . 41 SER C . 6712 1 492 . 1 1 41 41 SER CA C 13 56.994 0.047 . 1 . . . . 41 SER CA . 6712 1 493 . 1 1 41 41 SER CB C 13 64.460 0.142 . 1 . . . . 41 SER CB . 6712 1 494 . 1 1 41 41 SER N N 15 118.323 0.015 . 1 . . . . 41 SER N . 6712 1 495 . 1 1 42 42 HIS H H 1 8.056 0.026 . 1 . . . . 42 HIS H . 6712 1 496 . 1 1 42 42 HIS HA H 1 4.721 0.011 . 1 . . . . 42 HIS HA . 6712 1 497 . 1 1 42 42 HIS HB2 H 1 3.122 0.014 . 2 . . . . 42 HIS HB2 . 6712 1 498 . 1 1 42 42 HIS HB3 H 1 3.363 0.017 . 2 . . . . 42 HIS HB3 . 6712 1 499 . 1 1 42 42 HIS C C 13 174.633 0.014 . 1 . . . . 42 HIS C . 6712 1 500 . 1 1 42 42 HIS CA C 13 55.762 0.155 . 1 . . . . 42 HIS CA . 6712 1 501 . 1 1 42 42 HIS CB C 13 30.467 0.168 . 1 . . . . 42 HIS CB . 6712 1 502 . 1 1 42 42 HIS N N 15 118.041 0.171 . 1 . . . . 42 HIS N . 6712 1 503 . 1 1 43 43 SER H H 1 8.159 0.013 . 1 . . . . 43 SER H . 6712 1 504 . 1 1 43 43 SER HA H 1 4.371 0.006 . 1 . . . . 43 SER HA . 6712 1 505 . 1 1 43 43 SER HB2 H 1 3.866 0.113 . 2 . . . . 43 SER HB2 . 6712 1 506 . 1 1 43 43 SER HB3 H 1 3.939 0.157 . 2 . . . . 43 SER HB3 . 6712 1 507 . 1 1 43 43 SER C C 13 174.270 0.013 . 1 . . . . 43 SER C . 6712 1 508 . 1 1 43 43 SER CA C 13 59.086 0.221 . 1 . . . . 43 SER CA . 6712 1 509 . 1 1 43 43 SER CB C 13 64.116 0.574 . 1 . . . . 43 SER CB . 6712 1 510 . 1 1 43 43 SER N N 15 115.732 0.082 . 1 . . . . 43 SER N . 6712 1 511 . 1 1 44 44 THR H H 1 8.263 0.027 . 1 . . . . 44 THR H . 6712 1 512 . 1 1 44 44 THR HA H 1 4.212 0.019 . 1 . . . . 44 THR HA . 6712 1 513 . 1 1 44 44 THR HB H 1 4.102 0.032 . 1 . . . . 44 THR HB . 6712 1 514 . 1 1 44 44 THR HG21 H 1 1.168 0.016 . 1 . . . . 44 THR HG2 . 6712 1 515 . 1 1 44 44 THR HG22 H 1 1.168 0.016 . 1 . . . . 44 THR HG2 . 6712 1 516 . 1 1 44 44 THR HG23 H 1 1.168 0.016 . 1 . . . . 44 THR HG2 . 6712 1 517 . 1 1 44 44 THR C C 13 174.377 0.035 . 1 . . . . 44 THR C . 6712 1 518 . 1 1 44 44 THR CA C 13 61.751 0.167 . 1 . . . . 44 THR CA . 6712 1 519 . 1 1 44 44 THR CB C 13 69.183 0.127 . 1 . . . . 44 THR CB . 6712 1 520 . 1 1 44 44 THR CG2 C 13 21.745 0.158 . 1 . . . . 44 THR CG2 . 6712 1 521 . 1 1 44 44 THR N N 15 115.364 0.035 . 1 . . . . 44 THR N . 6712 1 522 . 1 1 45 45 GLN H H 1 8.375 0.013 . 1 . . . . 45 GLN H . 6712 1 523 . 1 1 45 45 GLN HA H 1 3.008 0.003 . 1 . . . . 45 GLN HA . 6712 1 524 . 1 1 45 45 GLN CA C 13 53.411 0.050 . 1 . . . . 45 GLN CA . 6712 1 525 . 1 1 45 45 GLN CB C 13 28.284 0.100 . 1 . . . . 45 GLN CB . 6712 1 526 . 1 1 45 45 GLN N N 15 126.349 0.175 . 1 . . . . 45 GLN N . 6712 1 527 . 1 1 46 46 THR H H 1 6.528 0.017 . 1 . . . . 46 THR H . 6712 1 528 . 1 1 46 46 THR HA H 1 5.204 0.015 . 1 . . . . 46 THR HA . 6712 1 529 . 1 1 46 46 THR HB H 1 3.871 0.017 . 1 . . . . 46 THR HB . 6712 1 530 . 1 1 46 46 THR HG21 H 1 0.894 0.010 . 1 . . . . 46 THR HG2 . 6712 1 531 . 1 1 46 46 THR HG22 H 1 0.894 0.010 . 1 . . . . 46 THR HG2 . 6712 1 532 . 1 1 46 46 THR HG23 H 1 0.894 0.010 . 1 . . . . 46 THR HG2 . 6712 1 533 . 1 1 46 46 THR C C 13 172.875 0.100 . 1 . . . . 46 THR C . 6712 1 534 . 1 1 46 46 THR CA C 13 58.524 0.092 . 1 . . . . 46 THR CA . 6712 1 535 . 1 1 46 46 THR CB C 13 72.665 0.096 . 1 . . . . 46 THR CB . 6712 1 536 . 1 1 46 46 THR CG2 C 13 21.898 0.137 . 1 . . . . 46 THR CG2 . 6712 1 537 . 1 1 46 46 THR N N 15 107.443 0.001 . 1 . . . . 46 THR N . 6712 1 538 . 1 1 47 47 LEU H H 1 8.495 0.032 . 1 . . . . 47 LEU H . 6712 1 539 . 1 1 47 47 LEU HA H 1 4.878 0.019 . 1 . . . . 47 LEU HA . 6712 1 540 . 1 1 47 47 LEU HB2 H 1 1.030 0.019 . 2 . . . . 47 LEU HB2 . 6712 1 541 . 1 1 47 47 LEU HB3 H 1 1.848 0.015 . 2 . . . . 47 LEU HB3 . 6712 1 542 . 1 1 47 47 LEU HG H 1 1.412 0.018 . 1 . . . . 47 LEU HG . 6712 1 543 . 1 1 47 47 LEU HD11 H 1 0.002 0.022 . 2 . . . . 47 LEU HD1 . 6712 1 544 . 1 1 47 47 LEU HD12 H 1 0.002 0.022 . 2 . . . . 47 LEU HD1 . 6712 1 545 . 1 1 47 47 LEU HD13 H 1 0.002 0.022 . 2 . . . . 47 LEU HD1 . 6712 1 546 . 1 1 47 47 LEU HD21 H 1 -0.146 0.016 . 2 . . . . 47 LEU HD2 . 6712 1 547 . 1 1 47 47 LEU HD22 H 1 -0.146 0.016 . 2 . . . . 47 LEU HD2 . 6712 1 548 . 1 1 47 47 LEU HD23 H 1 -0.146 0.016 . 2 . . . . 47 LEU HD2 . 6712 1 549 . 1 1 47 47 LEU C C 13 176.715 0.017 . 1 . . . . 47 LEU C . 6712 1 550 . 1 1 47 47 LEU CA C 13 55.513 0.149 . 1 . . . . 47 LEU CA . 6712 1 551 . 1 1 47 47 LEU CB C 13 45.176 0.073 . 1 . . . . 47 LEU CB . 6712 1 552 . 1 1 47 47 LEU CG C 13 31.807 0.050 . 1 . . . . 47 LEU CG . 6712 1 553 . 1 1 47 47 LEU CD1 C 13 24.636 0.093 . 2 . . . . 47 LEU CD1 . 6712 1 554 . 1 1 47 47 LEU CD2 C 13 21.399 0.095 . 2 . . . . 47 LEU CD2 . 6712 1 555 . 1 1 47 47 LEU N N 15 123.635 0.044 . 1 . . . . 47 LEU N . 6712 1 556 . 1 1 48 48 THR H H 1 8.489 0.036 . 1 . . . . 48 THR H . 6712 1 557 . 1 1 48 48 THR HA H 1 5.582 0.016 . 1 . . . . 48 THR HA . 6712 1 558 . 1 1 48 48 THR HB H 1 3.788 0.012 . 1 . . . . 48 THR HB . 6712 1 559 . 1 1 48 48 THR HG21 H 1 0.981 0.017 . 1 . . . . 48 THR HG2 . 6712 1 560 . 1 1 48 48 THR HG22 H 1 0.981 0.017 . 1 . . . . 48 THR HG2 . 6712 1 561 . 1 1 48 48 THR HG23 H 1 0.981 0.017 . 1 . . . . 48 THR HG2 . 6712 1 562 . 1 1 48 48 THR C C 13 173.148 0.010 . 1 . . . . 48 THR C . 6712 1 563 . 1 1 48 48 THR CA C 13 61.378 0.183 . 1 . . . . 48 THR CA . 6712 1 564 . 1 1 48 48 THR CB C 13 71.769 0.127 . 1 . . . . 48 THR CB . 6712 1 565 . 1 1 48 48 THR CG2 C 13 20.848 0.049 . 1 . . . . 48 THR CG2 . 6712 1 566 . 1 1 48 48 THR N N 15 116.420 0.067 . 1 . . . . 48 THR N . 6712 1 567 . 1 1 49 49 CYS H H 1 8.520 0.021 . 1 . . . . 49 CYS H . 6712 1 568 . 1 1 49 49 CYS HA H 1 3.979 0.020 . 1 . . . . 49 CYS HA . 6712 1 569 . 1 1 49 49 CYS HB2 H 1 1.328 0.020 . 2 . . . . 49 CYS HB2 . 6712 1 570 . 1 1 49 49 CYS HB3 H 1 2.376 0.015 . 2 . . . . 49 CYS HB3 . 6712 1 571 . 1 1 49 49 CYS C C 13 174.335 0.100 . 1 . . . . 49 CYS C . 6712 1 572 . 1 1 49 49 CYS CA C 13 55.083 0.144 . 1 . . . . 49 CYS CA . 6712 1 573 . 1 1 49 49 CYS CB C 13 39.274 0.071 . 1 . . . . 49 CYS CB . 6712 1 574 . 1 1 49 49 CYS N N 15 127.780 0.071 . 1 . . . . 49 CYS N . 6712 1 575 . 1 1 50 50 ASN H H 1 9.055 0.019 . 1 . . . . 50 ASN H . 6712 1 576 . 1 1 50 50 ASN HA H 1 4.805 0.017 . 1 . . . . 50 ASN HA . 6712 1 577 . 1 1 50 50 ASN HB2 H 1 2.871 0.024 . 2 . . . . 50 ASN HB2 . 6712 1 578 . 1 1 50 50 ASN HB3 H 1 3.375 0.019 . 2 . . . . 50 ASN HB3 . 6712 1 579 . 1 1 50 50 ASN HD21 H 1 7.146 0.014 . 1 . . . . 50 ASN HD21 . 6712 1 580 . 1 1 50 50 ASN HD22 H 1 7.146 0.014 . 1 . . . . 50 ASN HD22 . 6712 1 581 . 1 1 50 50 ASN C C 13 176.598 0.019 . 1 . . . . 50 ASN C . 6712 1 582 . 1 1 50 50 ASN CA C 13 51.717 0.107 . 1 . . . . 50 ASN CA . 6712 1 583 . 1 1 50 50 ASN CB C 13 39.275 0.252 . 1 . . . . 50 ASN CB . 6712 1 584 . 1 1 50 50 ASN N N 15 110.362 0.017 . 1 . . . . 50 ASN N . 6712 1 585 . 1 1 50 50 ASN ND2 N 15 111.604 0.012 . 1 . . . . 50 ASN ND2 . 6712 1 586 . 1 1 51 51 SER H H 1 8.164 0.012 . 1 . . . . 51 SER H . 6712 1 587 . 1 1 51 51 SER HA H 1 4.125 0.015 . 1 . . . . 51 SER HA . 6712 1 588 . 1 1 51 51 SER HB2 H 1 3.797 0.013 . 2 . . . . 51 SER HB2 . 6712 1 589 . 1 1 51 51 SER HB3 H 1 3.923 0.011 . 2 . . . . 51 SER HB3 . 6712 1 590 . 1 1 51 51 SER C C 13 174.482 0.100 . 1 . . . . 51 SER C . 6712 1 591 . 1 1 51 51 SER CA C 13 60.939 0.085 . 1 . . . . 51 SER CA . 6712 1 592 . 1 1 51 51 SER CB C 13 62.929 0.213 . 1 . . . . 51 SER CB . 6712 1 593 . 1 1 51 51 SER N N 15 112.530 0.001 . 1 . . . . 51 SER N . 6712 1 594 . 1 1 52 52 ASP H H 1 7.651 0.033 . 1 . . . . 52 ASP H . 6712 1 595 . 1 1 52 52 ASP HA H 1 4.741 0.017 . 1 . . . . 52 ASP HA . 6712 1 596 . 1 1 52 52 ASP HB2 H 1 2.552 0.017 . 2 . . . . 52 ASP HB2 . 6712 1 597 . 1 1 52 52 ASP HB3 H 1 2.797 0.031 . 2 . . . . 52 ASP HB3 . 6712 1 598 . 1 1 52 52 ASP C C 13 175.847 0.008 . 1 . . . . 52 ASP C . 6712 1 599 . 1 1 52 52 ASP CA C 13 53.719 0.153 . 1 . . . . 52 ASP CA . 6712 1 600 . 1 1 52 52 ASP CB C 13 40.639 0.177 . 1 . . . . 52 ASP CB . 6712 1 601 . 1 1 52 52 ASP N N 15 120.071 0.020 . 1 . . . . 52 ASP N . 6712 1 602 . 1 1 53 53 GLY H H 1 7.928 0.029 . 1 . . . . 53 GLY H . 6712 1 603 . 1 1 53 53 GLY HA2 H 1 3.423 0.016 . 2 . . . . 53 GLY HA2 . 6712 1 604 . 1 1 53 53 GLY HA3 H 1 3.692 0.021 . 2 . . . . 53 GLY HA3 . 6712 1 605 . 1 1 53 53 GLY C C 13 173.748 0.040 . 1 . . . . 53 GLY C . 6712 1 606 . 1 1 53 53 GLY CA C 13 47.241 0.057 . 1 . . . . 53 GLY CA . 6712 1 607 . 1 1 53 53 GLY N N 15 108.651 0.033 . 1 . . . . 53 GLY N . 6712 1 608 . 1 1 54 54 GLU H H 1 7.517 0.023 . 1 . . . . 54 GLU H . 6712 1 609 . 1 1 54 54 GLU HA H 1 4.493 0.019 . 1 . . . . 54 GLU HA . 6712 1 610 . 1 1 54 54 GLU HB2 H 1 1.747 0.017 . 2 . . . . 54 GLU HB2 . 6712 1 611 . 1 1 54 54 GLU HB3 H 1 1.903 0.014 . 2 . . . . 54 GLU HB3 . 6712 1 612 . 1 1 54 54 GLU HG2 H 1 2.060 0.034 . 2 . . . . 54 GLU HG2 . 6712 1 613 . 1 1 54 54 GLU HG3 H 1 2.162 0.013 . 2 . . . . 54 GLU HG3 . 6712 1 614 . 1 1 54 54 GLU C C 13 174.933 0.006 . 1 . . . . 54 GLU C . 6712 1 615 . 1 1 54 54 GLU CA C 13 53.221 0.137 . 1 . . . . 54 GLU CA . 6712 1 616 . 1 1 54 54 GLU CB C 13 31.183 0.097 . 1 . . . . 54 GLU CB . 6712 1 617 . 1 1 54 54 GLU CG C 13 34.264 0.009 . 1 . . . . 54 GLU CG . 6712 1 618 . 1 1 54 54 GLU N N 15 118.947 0.008 . 1 . . . . 54 GLU N . 6712 1 619 . 1 1 55 55 TRP H H 1 8.395 0.016 . 1 . . . . 55 TRP H . 6712 1 620 . 1 1 55 55 TRP HA H 1 4.976 0.011 . 1 . . . . 55 TRP HA . 6712 1 621 . 1 1 55 55 TRP HB2 H 1 2.898 0.013 . 2 . . . . 55 TRP HB2 . 6712 1 622 . 1 1 55 55 TRP HB3 H 1 3.073 0.014 . 2 . . . . 55 TRP HB3 . 6712 1 623 . 1 1 55 55 TRP HD1 H 1 7.282 0.020 . 1 . . . . 55 TRP HD1 . 6712 1 624 . 1 1 55 55 TRP HE1 H 1 10.003 0.005 . 1 . . . . 55 TRP HE1 . 6712 1 625 . 1 1 55 55 TRP HE3 H 1 7.060 0.016 . 1 . . . . 55 TRP HE3 . 6712 1 626 . 1 1 55 55 TRP HZ2 H 1 6.943 0.018 . 1 . . . . 55 TRP HZ2 . 6712 1 627 . 1 1 55 55 TRP HZ3 H 1 6.706 0.017 . 1 . . . . 55 TRP HZ3 . 6712 1 628 . 1 1 55 55 TRP HH2 H 1 6.236 0.015 . 1 . . . . 55 TRP HH2 . 6712 1 629 . 1 1 55 55 TRP C C 13 176.828 0.038 . 1 . . . . 55 TRP C . 6712 1 630 . 1 1 55 55 TRP CA C 13 56.411 0.088 . 1 . . . . 55 TRP CA . 6712 1 631 . 1 1 55 55 TRP CB C 13 30.123 0.090 . 1 . . . . 55 TRP CB . 6712 1 632 . 1 1 55 55 TRP CD1 C 13 127.089 0.045 . 1 . . . . 55 TRP CD1 . 6712 1 633 . 1 1 55 55 TRP CE3 C 13 120.266 0.013 . 1 . . . . 55 TRP CE3 . 6712 1 634 . 1 1 55 55 TRP CZ2 C 13 114.217 0.055 . 1 . . . . 55 TRP CZ2 . 6712 1 635 . 1 1 55 55 TRP CZ3 C 13 121.557 0.075 . 1 . . . . 55 TRP CZ3 . 6712 1 636 . 1 1 55 55 TRP CH2 C 13 122.929 0.032 . 1 . . . . 55 TRP CH2 . 6712 1 637 . 1 1 55 55 TRP N N 15 121.953 0.104 . 1 . . . . 55 TRP N . 6712 1 638 . 1 1 55 55 TRP NE1 N 15 129.931 0.074 . 1 . . . . 55 TRP NE1 . 6712 1 639 . 1 1 56 56 VAL H H 1 9.616 0.014 . 1 . . . . 56 VAL H . 6712 1 640 . 1 1 56 56 VAL HA H 1 4.442 0.017 . 1 . . . . 56 VAL HA . 6712 1 641 . 1 1 56 56 VAL HB H 1 2.054 0.015 . 1 . . . . 56 VAL HB . 6712 1 642 . 1 1 56 56 VAL HG11 H 1 0.876 0.004 . 2 . . . . 56 VAL HG1 . 6712 1 643 . 1 1 56 56 VAL HG12 H 1 0.876 0.004 . 2 . . . . 56 VAL HG1 . 6712 1 644 . 1 1 56 56 VAL HG13 H 1 0.876 0.004 . 2 . . . . 56 VAL HG1 . 6712 1 645 . 1 1 56 56 VAL HG21 H 1 0.961 0.012 . 2 . . . . 56 VAL HG2 . 6712 1 646 . 1 1 56 56 VAL HG22 H 1 0.961 0.012 . 2 . . . . 56 VAL HG2 . 6712 1 647 . 1 1 56 56 VAL HG23 H 1 0.961 0.012 . 2 . . . . 56 VAL HG2 . 6712 1 648 . 1 1 56 56 VAL C C 13 176.045 0.051 . 1 . . . . 56 VAL C . 6712 1 649 . 1 1 56 56 VAL CA C 13 61.664 0.102 . 1 . . . . 56 VAL CA . 6712 1 650 . 1 1 56 56 VAL CB C 13 33.872 0.145 . 1 . . . . 56 VAL CB . 6712 1 651 . 1 1 56 56 VAL CG1 C 13 21.121 0.263 . 2 . . . . 56 VAL CG1 . 6712 1 652 . 1 1 56 56 VAL CG2 C 13 20.983 0.079 . 2 . . . . 56 VAL CG2 . 6712 1 653 . 1 1 56 56 VAL N N 15 122.997 0.054 . 1 . . . . 56 VAL N . 6712 1 654 . 1 1 57 57 TYR H H 1 7.812 0.016 . 1 . . . . 57 TYR H . 6712 1 655 . 1 1 57 57 TYR HA H 1 4.993 0.018 . 1 . . . . 57 TYR HA . 6712 1 656 . 1 1 57 57 TYR HB2 H 1 3.210 0.020 . 2 . . . . 57 TYR HB2 . 6712 1 657 . 1 1 57 57 TYR HB3 H 1 3.647 0.019 . 2 . . . . 57 TYR HB3 . 6712 1 658 . 1 1 57 57 TYR HD1 H 1 6.820 0.020 . 1 . . . . 57 TYR HD . 6712 1 659 . 1 1 57 57 TYR HD2 H 1 6.820 0.020 . 1 . . . . 57 TYR HD . 6712 1 660 . 1 1 57 57 TYR HE1 H 1 6.653 0.015 . 1 . . . . 57 TYR HE . 6712 1 661 . 1 1 57 57 TYR HE2 H 1 6.653 0.015 . 1 . . . . 57 TYR HE . 6712 1 662 . 1 1 57 57 TYR C C 13 173.398 0.042 . 1 . . . . 57 TYR C . 6712 1 663 . 1 1 57 57 TYR CA C 13 56.524 0.190 . 1 . . . . 57 TYR CA . 6712 1 664 . 1 1 57 57 TYR CB C 13 39.237 0.086 . 1 . . . . 57 TYR CB . 6712 1 665 . 1 1 57 57 TYR CD1 C 13 133.557 0.053 . 1 . . . . 57 TYR CD . 6712 1 666 . 1 1 57 57 TYR CD2 C 13 133.557 0.053 . 1 . . . . 57 TYR CD . 6712 1 667 . 1 1 57 57 TYR CE1 C 13 117.711 0.013 . 1 . . . . 57 TYR CE . 6712 1 668 . 1 1 57 57 TYR CE2 C 13 117.711 0.013 . 1 . . . . 57 TYR CE . 6712 1 669 . 1 1 57 57 TYR N N 15 121.095 0.054 . 1 . . . . 57 TYR N . 6712 1 670 . 1 1 58 58 ASN H H 1 8.552 0.028 . 1 . . . . 58 ASN H . 6712 1 671 . 1 1 58 58 ASN HA H 1 4.884 0.027 . 1 . . . . 58 ASN HA . 6712 1 672 . 1 1 58 58 ASN HB2 H 1 2.670 0.018 . 1 . . . . 58 ASN HB2 . 6712 1 673 . 1 1 58 58 ASN HB3 H 1 2.670 0.018 . 1 . . . . 58 ASN HB3 . 6712 1 674 . 1 1 58 58 ASN HD21 H 1 7.299 0.005 . 1 . . . . 58 ASN HD21 . 6712 1 675 . 1 1 58 58 ASN HD22 H 1 6.575 0.018 . 1 . . . . 58 ASN HD22 . 6712 1 676 . 1 1 58 58 ASN C C 13 174.329 0.014 . 1 . . . . 58 ASN C . 6712 1 677 . 1 1 58 58 ASN CA C 13 51.195 0.136 . 1 . . . . 58 ASN CA . 6712 1 678 . 1 1 58 58 ASN CB C 13 40.515 0.052 . 1 . . . . 58 ASN CB . 6712 1 679 . 1 1 58 58 ASN N N 15 118.702 0.023 . 1 . . . . 58 ASN N . 6712 1 680 . 1 1 58 58 ASN ND2 N 15 111.437 0.002 . 1 . . . . 58 ASN ND2 . 6712 1 681 . 1 1 59 59 THR H H 1 8.273 0.018 . 1 . . . . 59 THR H . 6712 1 682 . 1 1 59 59 THR HA H 1 3.575 0.015 . 1 . . . . 59 THR HA . 6712 1 683 . 1 1 59 59 THR HB H 1 3.855 0.008 . 1 . . . . 59 THR HB . 6712 1 684 . 1 1 59 59 THR HG21 H 1 0.525 0.009 . 1 . . . . 59 THR HG2 . 6712 1 685 . 1 1 59 59 THR HG22 H 1 0.525 0.009 . 1 . . . . 59 THR HG2 . 6712 1 686 . 1 1 59 59 THR HG23 H 1 0.525 0.009 . 1 . . . . 59 THR HG2 . 6712 1 687 . 1 1 59 59 THR CA C 13 62.901 0.075 . 1 . . . . 59 THR CA . 6712 1 688 . 1 1 59 59 THR CB C 13 67.152 0.039 . 1 . . . . 59 THR CB . 6712 1 689 . 1 1 59 59 THR CG2 C 13 21.611 0.003 . 1 . . . . 59 THR CG2 . 6712 1 690 . 1 1 59 59 THR N N 15 114.772 0.020 . 1 . . . . 59 THR N . 6712 1 691 . 1 1 60 60 PHE HA H 1 4.647 0.027 . 1 . . . . 60 PHE HA . 6712 1 692 . 1 1 60 60 PHE HB2 H 1 2.926 0.025 . 2 . . . . 60 PHE HB2 . 6712 1 693 . 1 1 60 60 PHE HB3 H 1 3.573 0.018 . 2 . . . . 60 PHE HB3 . 6712 1 694 . 1 1 60 60 PHE HD1 H 1 7.735 0.007 . 1 . . . . 60 PHE HD . 6712 1 695 . 1 1 60 60 PHE HD2 H 1 7.735 0.007 . 1 . . . . 60 PHE HD . 6712 1 696 . 1 1 60 60 PHE HE1 H 1 6.900 0.014 . 1 . . . . 60 PHE HE . 6712 1 697 . 1 1 60 60 PHE HE2 H 1 6.900 0.014 . 1 . . . . 60 PHE HE . 6712 1 698 . 1 1 60 60 PHE HZ H 1 6.330 0.017 . 1 . . . . 60 PHE HZ . 6712 1 699 . 1 1 60 60 PHE CA C 13 56.927 0.185 . 1 . . . . 60 PHE CA . 6712 1 700 . 1 1 60 60 PHE CB C 13 38.387 0.086 . 1 . . . . 60 PHE CB . 6712 1 701 . 1 1 60 60 PHE CD1 C 13 134.367 0.019 . 1 . . . . 60 PHE CD . 6712 1 702 . 1 1 60 60 PHE CD2 C 13 134.367 0.019 . 1 . . . . 60 PHE CD . 6712 1 703 . 1 1 60 60 PHE CE1 C 13 131.029 0.007 . 1 . . . . 60 PHE CE . 6712 1 704 . 1 1 60 60 PHE CE2 C 13 131.029 0.007 . 1 . . . . 60 PHE CE . 6712 1 705 . 1 1 60 60 PHE CZ C 13 129.539 0.118 . 1 . . . . 60 PHE CZ . 6712 1 706 . 1 1 61 61 CYS H H 1 6.544 0.035 . 1 . . . . 61 CYS H . 6712 1 707 . 1 1 61 61 CYS HA H 1 5.545 0.019 . 1 . . . . 61 CYS HA . 6712 1 708 . 1 1 61 61 CYS HB2 H 1 2.993 0.014 . 1 . . . . 61 CYS HB2 . 6712 1 709 . 1 1 61 61 CYS HB3 H 1 2.993 0.014 . 1 . . . . 61 CYS HB3 . 6712 1 710 . 1 1 61 61 CYS CA C 13 55.380 0.005 . 1 . . . . 61 CYS CA . 6712 1 711 . 1 1 61 61 CYS CB C 13 48.244 0.043 . 1 . . . . 61 CYS CB . 6712 1 712 . 1 1 61 61 CYS N N 15 118.529 0.000 . 1 . . . . 61 CYS N . 6712 1 713 . 1 1 62 62 ILE H H 1 9.224 0.016 . 1 . . . . 62 ILE H . 6712 1 714 . 1 1 62 62 ILE HA H 1 4.479 0.022 . 1 . . . . 62 ILE HA . 6712 1 715 . 1 1 62 62 ILE HB H 1 1.716 0.028 . 1 . . . . 62 ILE HB . 6712 1 716 . 1 1 62 62 ILE HG12 H 1 0.901 0.006 . 2 . . . . 62 ILE HG12 . 6712 1 717 . 1 1 62 62 ILE HG13 H 1 1.230 0.015 . 2 . . . . 62 ILE HG13 . 6712 1 718 . 1 1 62 62 ILE HG21 H 1 0.719 0.011 . 1 . . . . 62 ILE HG2 . 6712 1 719 . 1 1 62 62 ILE HG22 H 1 0.719 0.011 . 1 . . . . 62 ILE HG2 . 6712 1 720 . 1 1 62 62 ILE HG23 H 1 0.719 0.011 . 1 . . . . 62 ILE HG2 . 6712 1 721 . 1 1 62 62 ILE HD11 H 1 0.688 0.013 . 1 . . . . 62 ILE HD1 . 6712 1 722 . 1 1 62 62 ILE HD12 H 1 0.688 0.013 . 1 . . . . 62 ILE HD1 . 6712 1 723 . 1 1 62 62 ILE HD13 H 1 0.688 0.013 . 1 . . . . 62 ILE HD1 . 6712 1 724 . 1 1 62 62 ILE CA C 13 59.524 0.197 . 1 . . . . 62 ILE CA . 6712 1 725 . 1 1 62 62 ILE CB C 13 41.898 0.012 . 1 . . . . 62 ILE CB . 6712 1 726 . 1 1 62 62 ILE CG1 C 13 26.157 0.208 . 1 . . . . 62 ILE CG1 . 6712 1 727 . 1 1 62 62 ILE CG2 C 13 17.431 0.046 . 1 . . . . 62 ILE CG2 . 6712 1 728 . 1 1 62 62 ILE CD1 C 13 13.220 0.353 . 1 . . . . 62 ILE CD1 . 6712 1 729 . 1 1 62 62 ILE N N 15 118.072 0.000 . 1 . . . . 62 ILE N . 6712 1 730 . 1 1 63 63 TYR H H 1 8.409 0.039 . 1 . . . . 63 TYR H . 6712 1 731 . 1 1 63 63 TYR HA H 1 3.924 0.011 . 1 . . . . 63 TYR HA . 6712 1 732 . 1 1 63 63 TYR HB2 H 1 2.536 0.005 . 2 . . . . 63 TYR HB2 . 6712 1 733 . 1 1 63 63 TYR HB3 H 1 2.770 0.014 . 2 . . . . 63 TYR HB3 . 6712 1 734 . 1 1 63 63 TYR HD1 H 1 6.549 0.007 . 1 . . . . 63 TYR HD . 6712 1 735 . 1 1 63 63 TYR HD2 H 1 6.549 0.007 . 1 . . . . 63 TYR HD . 6712 1 736 . 1 1 63 63 TYR HE1 H 1 6.691 0.007 . 1 . . . . 63 TYR HE . 6712 1 737 . 1 1 63 63 TYR HE2 H 1 6.691 0.007 . 1 . . . . 63 TYR HE . 6712 1 738 . 1 1 63 63 TYR HH H 1 8.384 0.003 . 1 . . . . 63 TYR HH . 6712 1 739 . 1 1 63 63 TYR C C 13 176.740 0.043 . 1 . . . . 63 TYR C . 6712 1 740 . 1 1 63 63 TYR CA C 13 58.832 0.135 . 1 . . . . 63 TYR CA . 6712 1 741 . 1 1 63 63 TYR CB C 13 38.470 0.073 . 1 . . . . 63 TYR CB . 6712 1 742 . 1 1 63 63 TYR CD1 C 13 133.021 0.012 . 1 . . . . 63 TYR CD . 6712 1 743 . 1 1 63 63 TYR CD2 C 13 133.021 0.012 . 1 . . . . 63 TYR CD . 6712 1 744 . 1 1 63 63 TYR CE1 C 13 118.176 0.006 . 1 . . . . 63 TYR CE . 6712 1 745 . 1 1 63 63 TYR CE2 C 13 118.176 0.006 . 1 . . . . 63 TYR CE . 6712 1 746 . 1 1 63 63 TYR N N 15 125.919 0.018 . 1 . . . . 63 TYR N . 6712 1 747 . 1 1 64 64 LYS H H 1 7.811 0.012 . 1 . . . . 64 LYS H . 6712 1 748 . 1 1 64 64 LYS HA H 1 4.155 0.013 . 1 . . . . 64 LYS HA . 6712 1 749 . 1 1 64 64 LYS HB2 H 1 1.250 0.011 . 2 . . . . 64 LYS HB2 . 6712 1 750 . 1 1 64 64 LYS HB3 H 1 1.425 0.018 . 2 . . . . 64 LYS HB3 . 6712 1 751 . 1 1 64 64 LYS HG2 H 1 1.012 0.009 . 2 . . . . 64 LYS HG2 . 6712 1 752 . 1 1 64 64 LYS HG3 H 1 1.151 0.007 . 2 . . . . 64 LYS HG3 . 6712 1 753 . 1 1 64 64 LYS HD2 H 1 1.287 0.008 . 2 . . . . 64 LYS HD2 . 6712 1 754 . 1 1 64 64 LYS HD3 H 1 1.464 0.012 . 2 . . . . 64 LYS HD3 . 6712 1 755 . 1 1 64 64 LYS HE2 H 1 2.665 0.008 . 2 . . . . 64 LYS HE2 . 6712 1 756 . 1 1 64 64 LYS HE3 H 1 2.715 0.015 . 2 . . . . 64 LYS HE3 . 6712 1 757 . 1 1 64 64 LYS C C 13 174.120 0.016 . 1 . . . . 64 LYS C . 6712 1 758 . 1 1 64 64 LYS CA C 13 55.882 0.195 . 1 . . . . 64 LYS CA . 6712 1 759 . 1 1 64 64 LYS CB C 13 35.891 0.226 . 1 . . . . 64 LYS CB . 6712 1 760 . 1 1 64 64 LYS CG C 13 26.049 0.109 . 1 . . . . 64 LYS CG . 6712 1 761 . 1 1 64 64 LYS CD C 13 29.531 0.071 . 1 . . . . 64 LYS CD . 6712 1 762 . 1 1 64 64 LYS CE C 13 42.063 0.028 . 1 . . . . 64 LYS CE . 6712 1 763 . 1 1 64 64 LYS N N 15 123.007 0.033 . 1 . . . . 64 LYS N . 6712 1 764 . 1 1 65 65 ARG H H 1 7.721 0.020 . 1 . . . . 65 ARG H . 6712 1 765 . 1 1 65 65 ARG HA H 1 4.519 0.019 . 1 . . . . 65 ARG HA . 6712 1 766 . 1 1 65 65 ARG HB2 H 1 1.417 0.016 . 2 . . . . 65 ARG HB2 . 6712 1 767 . 1 1 65 65 ARG HB3 H 1 1.615 0.030 . 2 . . . . 65 ARG HB3 . 6712 1 768 . 1 1 65 65 ARG HG2 H 1 1.336 0.010 . 1 . . . . 65 ARG HG2 . 6712 1 769 . 1 1 65 65 ARG HG3 H 1 1.336 0.010 . 1 . . . . 65 ARG HG3 . 6712 1 770 . 1 1 65 65 ARG HD2 H 1 3.099 0.012 . 1 . . . . 65 ARG HD2 . 6712 1 771 . 1 1 65 65 ARG HD3 H 1 3.099 0.012 . 1 . . . . 65 ARG HD3 . 6712 1 772 . 1 1 65 65 ARG HE H 1 7.071 0.002 . 1 . . . . 65 ARG HE . 6712 1 773 . 1 1 65 65 ARG C C 13 175.723 0.009 . 1 . . . . 65 ARG C . 6712 1 774 . 1 1 65 65 ARG CA C 13 54.883 0.047 . 1 . . . . 65 ARG CA . 6712 1 775 . 1 1 65 65 ARG CB C 13 33.051 0.136 . 1 . . . . 65 ARG CB . 6712 1 776 . 1 1 65 65 ARG CG C 13 26.416 0.189 . 1 . . . . 65 ARG CG . 6712 1 777 . 1 1 65 65 ARG CD C 13 43.757 0.130 . 1 . . . . 65 ARG CD . 6712 1 778 . 1 1 65 65 ARG N N 15 117.890 0.026 . 1 . . . . 65 ARG N . 6712 1 779 . 1 1 65 65 ARG NE N 15 85.378 0.001 . 1 . . . . 65 ARG NE . 6712 1 780 . 1 1 66 66 CYS H H 1 8.549 0.012 . 1 . . . . 66 CYS H . 6712 1 781 . 1 1 66 66 CYS HA H 1 4.106 0.013 . 1 . . . . 66 CYS HA . 6712 1 782 . 1 1 66 66 CYS HB2 H 1 2.307 0.009 . 2 . . . . 66 CYS HB2 . 6712 1 783 . 1 1 66 66 CYS HB3 H 1 2.376 0.009 . 2 . . . . 66 CYS HB3 . 6712 1 784 . 1 1 66 66 CYS C C 13 173.545 0.042 . 1 . . . . 66 CYS C . 6712 1 785 . 1 1 66 66 CYS CA C 13 60.587 0.108 . 1 . . . . 66 CYS CA . 6712 1 786 . 1 1 66 66 CYS CB C 13 41.719 0.162 . 1 . . . . 66 CYS CB . 6712 1 787 . 1 1 66 66 CYS N N 15 121.321 0.032 . 1 . . . . 66 CYS N . 6712 1 788 . 1 1 67 67 ARG H H 1 8.355 0.013 . 1 . . . . 67 ARG H . 6712 1 789 . 1 1 67 67 ARG HA H 1 4.258 0.009 . 1 . . . . 67 ARG HA . 6712 1 790 . 1 1 67 67 ARG HB2 H 1 1.765 0.028 . 2 . . . . 67 ARG HB2 . 6712 1 791 . 1 1 67 67 ARG HB3 H 1 1.885 0.010 . 2 . . . . 67 ARG HB3 . 6712 1 792 . 1 1 67 67 ARG HD2 H 1 3.237 0.004 . 1 . . . . 67 ARG HD2 . 6712 1 793 . 1 1 67 67 ARG HD3 H 1 3.237 0.004 . 1 . . . . 67 ARG HD3 . 6712 1 794 . 1 1 67 67 ARG HE H 1 7.173 0.002 . 1 . . . . 67 ARG HE . 6712 1 795 . 1 1 67 67 ARG C C 13 176.262 0.033 . 1 . . . . 67 ARG C . 6712 1 796 . 1 1 67 67 ARG CA C 13 55.377 0.087 . 1 . . . . 67 ARG CA . 6712 1 797 . 1 1 67 67 ARG CB C 13 31.207 0.050 . 1 . . . . 67 ARG CB . 6712 1 798 . 1 1 67 67 ARG CD C 13 43.577 0.004 . 1 . . . . 67 ARG CD . 6712 1 799 . 1 1 67 67 ARG N N 15 118.731 0.076 . 1 . . . . 67 ARG N . 6712 1 800 . 1 1 67 67 ARG NE N 15 84.866 0.000 . 1 . . . . 67 ARG NE . 6712 1 801 . 1 1 68 68 HIS H H 1 8.938 0.010 . 1 . . . . 68 HIS H . 6712 1 802 . 1 1 68 68 HIS HA H 1 4.269 0.022 . 1 . . . . 68 HIS HA . 6712 1 803 . 1 1 68 68 HIS HB2 H 1 2.983 0.033 . 2 . . . . 68 HIS HB2 . 6712 1 804 . 1 1 68 68 HIS HB3 H 1 3.113 0.048 . 2 . . . . 68 HIS HB3 . 6712 1 805 . 1 1 68 68 HIS HD2 H 1 7.173 0.013 . 1 . . . . 68 HIS HD2 . 6712 1 806 . 1 1 68 68 HIS C C 13 175.796 0.100 . 1 . . . . 68 HIS C . 6712 1 807 . 1 1 68 68 HIS CA C 13 56.743 0.055 . 1 . . . . 68 HIS CA . 6712 1 808 . 1 1 68 68 HIS CB C 13 30.323 0.084 . 1 . . . . 68 HIS CB . 6712 1 809 . 1 1 68 68 HIS CD2 C 13 118.424 0.003 . 1 . . . . 68 HIS CD2 . 6712 1 810 . 1 1 68 68 HIS N N 15 124.601 0.006 . 1 . . . . 68 HIS N . 6712 1 811 . 1 1 69 69 PRO HA H 1 4.313 0.017 . 1 . . . . 69 PRO HA . 6712 1 812 . 1 1 69 69 PRO HB2 H 1 1.321 0.016 . 2 . . . . 69 PRO HB2 . 6712 1 813 . 1 1 69 69 PRO HB3 H 1 1.662 0.015 . 2 . . . . 69 PRO HB3 . 6712 1 814 . 1 1 69 69 PRO HG2 H 1 1.021 0.027 . 2 . . . . 69 PRO HG2 . 6712 1 815 . 1 1 69 69 PRO HG3 H 1 1.497 0.021 . 2 . . . . 69 PRO HG3 . 6712 1 816 . 1 1 69 69 PRO HD2 H 1 2.461 0.017 . 2 . . . . 69 PRO HD2 . 6712 1 817 . 1 1 69 69 PRO HD3 H 1 3.212 0.016 . 2 . . . . 69 PRO HD3 . 6712 1 818 . 1 1 69 69 PRO C C 13 176.014 0.010 . 1 . . . . 69 PRO C . 6712 1 819 . 1 1 69 69 PRO CA C 13 63.798 0.092 . 1 . . . . 69 PRO CA . 6712 1 820 . 1 1 69 69 PRO CB C 13 31.780 0.124 . 1 . . . . 69 PRO CB . 6712 1 821 . 1 1 69 69 PRO CG C 13 26.484 0.132 . 1 . . . . 69 PRO CG . 6712 1 822 . 1 1 69 69 PRO CD C 13 49.721 0.087 . 1 . . . . 69 PRO CD . 6712 1 823 . 1 1 70 70 GLY H H 1 9.617 0.021 . 1 . . . . 70 GLY H . 6712 1 824 . 1 1 70 70 GLY HA2 H 1 3.738 0.020 . 2 . . . . 70 GLY HA2 . 6712 1 825 . 1 1 70 70 GLY HA3 H 1 4.233 0.021 . 2 . . . . 70 GLY HA3 . 6712 1 826 . 1 1 70 70 GLY C C 13 171.662 0.013 . 1 . . . . 70 GLY C . 6712 1 827 . 1 1 70 70 GLY CA C 13 43.551 0.071 . 1 . . . . 70 GLY CA . 6712 1 828 . 1 1 70 70 GLY N N 15 111.835 0.000 . 1 . . . . 70 GLY N . 6712 1 829 . 1 1 71 71 GLU H H 1 7.734 0.016 . 1 . . . . 71 GLU H . 6712 1 830 . 1 1 71 71 GLU HA H 1 4.125 0.021 . 1 . . . . 71 GLU HA . 6712 1 831 . 1 1 71 71 GLU HB2 H 1 1.772 0.023 . 2 . . . . 71 GLU HB2 . 6712 1 832 . 1 1 71 71 GLU HB3 H 1 1.799 0.032 . 2 . . . . 71 GLU HB3 . 6712 1 833 . 1 1 71 71 GLU HG2 H 1 2.040 0.017 . 2 . . . . 71 GLU HG2 . 6712 1 834 . 1 1 71 71 GLU HG3 H 1 2.159 0.015 . 2 . . . . 71 GLU HG3 . 6712 1 835 . 1 1 71 71 GLU C C 13 175.281 0.034 . 1 . . . . 71 GLU C . 6712 1 836 . 1 1 71 71 GLU CA C 13 55.721 0.091 . 1 . . . . 71 GLU CA . 6712 1 837 . 1 1 71 71 GLU CB C 13 30.703 0.192 . 1 . . . . 71 GLU CB . 6712 1 838 . 1 1 71 71 GLU CG C 13 35.612 0.002 . 1 . . . . 71 GLU CG . 6712 1 839 . 1 1 71 71 GLU N N 15 115.958 0.015 . 1 . . . . 71 GLU N . 6712 1 840 . 1 1 72 72 LEU H H 1 8.287 0.010 . 1 . . . . 72 LEU H . 6712 1 841 . 1 1 72 72 LEU HA H 1 4.309 0.015 . 1 . . . . 72 LEU HA . 6712 1 842 . 1 1 72 72 LEU HB2 H 1 0.749 0.019 . 2 . . . . 72 LEU HB2 . 6712 1 843 . 1 1 72 72 LEU HB3 H 1 1.541 0.019 . 2 . . . . 72 LEU HB3 . 6712 1 844 . 1 1 72 72 LEU HG H 1 1.005 0.012 . 1 . . . . 72 LEU HG . 6712 1 845 . 1 1 72 72 LEU HD11 H 1 0.590 0.011 . 2 . . . . 72 LEU HD1 . 6712 1 846 . 1 1 72 72 LEU HD12 H 1 0.590 0.011 . 2 . . . . 72 LEU HD1 . 6712 1 847 . 1 1 72 72 LEU HD13 H 1 0.590 0.011 . 2 . . . . 72 LEU HD1 . 6712 1 848 . 1 1 72 72 LEU HD21 H 1 0.480 0.014 . 2 . . . . 72 LEU HD2 . 6712 1 849 . 1 1 72 72 LEU HD22 H 1 0.480 0.014 . 2 . . . . 72 LEU HD2 . 6712 1 850 . 1 1 72 72 LEU HD23 H 1 0.480 0.014 . 2 . . . . 72 LEU HD2 . 6712 1 851 . 1 1 72 72 LEU C C 13 174.886 0.051 . 1 . . . . 72 LEU C . 6712 1 852 . 1 1 72 72 LEU CA C 13 52.464 0.085 . 1 . . . . 72 LEU CA . 6712 1 853 . 1 1 72 72 LEU CB C 13 43.417 0.057 . 1 . . . . 72 LEU CB . 6712 1 854 . 1 1 72 72 LEU CG C 13 26.787 0.194 . 1 . . . . 72 LEU CG . 6712 1 855 . 1 1 72 72 LEU CD1 C 13 26.553 0.046 . 2 . . . . 72 LEU CD1 . 6712 1 856 . 1 1 72 72 LEU CD2 C 13 24.044 0.113 . 2 . . . . 72 LEU CD2 . 6712 1 857 . 1 1 72 72 LEU N N 15 126.651 0.017 . 1 . . . . 72 LEU N . 6712 1 858 . 1 1 73 73 ARG H H 1 8.518 0.008 . 1 . . . . 73 ARG H . 6712 1 859 . 1 1 73 73 ARG HA H 1 3.821 0.010 . 1 . . . . 73 ARG HA . 6712 1 860 . 1 1 73 73 ARG HB2 H 1 1.557 0.049 . 2 . . . . 73 ARG HB2 . 6712 1 861 . 1 1 73 73 ARG HB3 H 1 1.614 0.018 . 2 . . . . 73 ARG HB3 . 6712 1 862 . 1 1 73 73 ARG HG2 H 1 1.483 0.024 . 2 . . . . 73 ARG HG2 . 6712 1 863 . 1 1 73 73 ARG HG3 H 1 1.532 0.026 . 2 . . . . 73 ARG HG3 . 6712 1 864 . 1 1 73 73 ARG HD2 H 1 3.110 0.014 . 1 . . . . 73 ARG HD2 . 6712 1 865 . 1 1 73 73 ARG HD3 H 1 3.110 0.014 . 1 . . . . 73 ARG HD3 . 6712 1 866 . 1 1 73 73 ARG C C 13 177.349 0.026 . 1 . . . . 73 ARG C . 6712 1 867 . 1 1 73 73 ARG CA C 13 57.806 0.114 . 1 . . . . 73 ARG CA . 6712 1 868 . 1 1 73 73 ARG CB C 13 29.237 0.071 . 1 . . . . 73 ARG CB . 6712 1 869 . 1 1 73 73 ARG CG C 13 26.944 0.023 . 1 . . . . 73 ARG CG . 6712 1 870 . 1 1 73 73 ARG CD C 13 43.207 0.187 . 1 . . . . 73 ARG CD . 6712 1 871 . 1 1 73 73 ARG N N 15 129.184 0.031 . 1 . . . . 73 ARG N . 6712 1 872 . 1 1 74 74 ASN H H 1 8.875 0.016 . 1 . . . . 74 ASN H . 6712 1 873 . 1 1 74 74 ASN HA H 1 3.787 0.017 . 1 . . . . 74 ASN HA . 6712 1 874 . 1 1 74 74 ASN HB2 H 1 0.965 0.020 . 2 . . . . 74 ASN HB2 . 6712 1 875 . 1 1 74 74 ASN HB3 H 1 2.127 0.016 . 2 . . . . 74 ASN HB3 . 6712 1 876 . 1 1 74 74 ASN HD21 H 1 7.309 0.003 . 1 . . . . 74 ASN HD21 . 6712 1 877 . 1 1 74 74 ASN HD22 H 1 6.747 0.007 . 1 . . . . 74 ASN HD22 . 6712 1 878 . 1 1 74 74 ASN C C 13 172.732 0.017 . 1 . . . . 74 ASN C . 6712 1 879 . 1 1 74 74 ASN CA C 13 55.203 0.060 . 1 . . . . 74 ASN CA . 6712 1 880 . 1 1 74 74 ASN CB C 13 36.369 0.122 . 1 . . . . 74 ASN CB . 6712 1 881 . 1 1 74 74 ASN N N 15 117.286 0.013 . 1 . . . . 74 ASN N . 6712 1 882 . 1 1 74 74 ASN ND2 N 15 116.262 0.002 . 1 . . . . 74 ASN ND2 . 6712 1 883 . 1 1 75 75 GLY H H 1 7.641 0.028 . 1 . . . . 75 GLY H . 6712 1 884 . 1 1 75 75 GLY HA2 H 1 4.108 0.016 . 2 . . . . 75 GLY HA2 . 6712 1 885 . 1 1 75 75 GLY HA3 H 1 4.325 0.017 . 2 . . . . 75 GLY HA3 . 6712 1 886 . 1 1 75 75 GLY C C 13 172.022 0.033 . 1 . . . . 75 GLY C . 6712 1 887 . 1 1 75 75 GLY CA C 13 46.702 0.080 . 1 . . . . 75 GLY CA . 6712 1 888 . 1 1 75 75 GLY N N 15 104.230 0.013 . 1 . . . . 75 GLY N . 6712 1 889 . 1 1 76 76 GLN H H 1 8.811 0.030 . 1 . . . . 76 GLN H . 6712 1 890 . 1 1 76 76 GLN HA H 1 4.731 0.013 . 1 . . . . 76 GLN HA . 6712 1 891 . 1 1 76 76 GLN HB2 H 1 1.782 0.006 . 2 . . . . 76 GLN HB2 . 6712 1 892 . 1 1 76 76 GLN HB3 H 1 1.886 0.010 . 2 . . . . 76 GLN HB3 . 6712 1 893 . 1 1 76 76 GLN HG2 H 1 2.128 0.018 . 1 . . . . 76 GLN HG2 . 6712 1 894 . 1 1 76 76 GLN HG3 H 1 2.128 0.018 . 1 . . . . 76 GLN HG3 . 6712 1 895 . 1 1 76 76 GLN C C 13 173.560 0.031 . 1 . . . . 76 GLN C . 6712 1 896 . 1 1 76 76 GLN CA C 13 54.934 0.115 . 1 . . . . 76 GLN CA . 6712 1 897 . 1 1 76 76 GLN CB C 13 32.426 0.304 . 1 . . . . 76 GLN CB . 6712 1 898 . 1 1 76 76 GLN CG C 13 33.690 0.255 . 1 . . . . 76 GLN CG . 6712 1 899 . 1 1 76 76 GLN N N 15 118.416 0.095 . 1 . . . . 76 GLN N . 6712 1 900 . 1 1 77 77 VAL H H 1 8.345 0.014 . 1 . . . . 77 VAL H . 6712 1 901 . 1 1 77 77 VAL HA H 1 4.305 0.014 . 1 . . . . 77 VAL HA . 6712 1 902 . 1 1 77 77 VAL HB H 1 2.002 0.015 . 1 . . . . 77 VAL HB . 6712 1 903 . 1 1 77 77 VAL HG11 H 1 0.982 0.014 . 2 . . . . 77 VAL HG1 . 6712 1 904 . 1 1 77 77 VAL HG12 H 1 0.982 0.014 . 2 . . . . 77 VAL HG1 . 6712 1 905 . 1 1 77 77 VAL HG13 H 1 0.982 0.014 . 2 . . . . 77 VAL HG1 . 6712 1 906 . 1 1 77 77 VAL HG21 H 1 0.492 0.007 . 2 . . . . 77 VAL HG2 . 6712 1 907 . 1 1 77 77 VAL HG22 H 1 0.492 0.007 . 2 . . . . 77 VAL HG2 . 6712 1 908 . 1 1 77 77 VAL HG23 H 1 0.492 0.007 . 2 . . . . 77 VAL HG2 . 6712 1 909 . 1 1 77 77 VAL C C 13 175.182 0.036 . 1 . . . . 77 VAL C . 6712 1 910 . 1 1 77 77 VAL CA C 13 61.456 0.168 . 1 . . . . 77 VAL CA . 6712 1 911 . 1 1 77 77 VAL CB C 13 32.687 0.034 . 1 . . . . 77 VAL CB . 6712 1 912 . 1 1 77 77 VAL CG1 C 13 21.197 0.169 . 1 . . . . 77 VAL CG1 . 6712 1 913 . 1 1 77 77 VAL CG2 C 13 21.197 0.169 . 1 . . . . 77 VAL CG2 . 6712 1 914 . 1 1 77 77 VAL N N 15 122.938 0.000 . 1 . . . . 77 VAL N . 6712 1 915 . 1 1 78 78 GLU H H 1 9.253 0.020 . 1 . . . . 78 GLU H . 6712 1 916 . 1 1 78 78 GLU HA H 1 4.420 0.022 . 1 . . . . 78 GLU HA . 6712 1 917 . 1 1 78 78 GLU HB2 H 1 1.798 0.035 . 2 . . . . 78 GLU HB2 . 6712 1 918 . 1 1 78 78 GLU HB3 H 1 1.817 0.015 . 2 . . . . 78 GLU HB3 . 6712 1 919 . 1 1 78 78 GLU HG2 H 1 1.970 0.001 . 2 . . . . 78 GLU HG2 . 6712 1 920 . 1 1 78 78 GLU HG3 H 1 2.058 0.012 . 2 . . . . 78 GLU HG3 . 6712 1 921 . 1 1 78 78 GLU C C 13 174.669 0.063 . 1 . . . . 78 GLU C . 6712 1 922 . 1 1 78 78 GLU CA C 13 55.067 0.152 . 1 . . . . 78 GLU CA . 6712 1 923 . 1 1 78 78 GLU CB C 13 30.017 0.064 . 1 . . . . 78 GLU CB . 6712 1 924 . 1 1 78 78 GLU CG C 13 34.173 0.098 . 1 . . . . 78 GLU CG . 6712 1 925 . 1 1 78 78 GLU N N 15 128.827 0.006 . 1 . . . . 78 GLU N . 6712 1 926 . 1 1 79 79 ILE H H 1 8.514 0.009 . 1 . . . . 79 ILE H . 6712 1 927 . 1 1 79 79 ILE HA H 1 4.051 0.020 . 1 . . . . 79 ILE HA . 6712 1 928 . 1 1 79 79 ILE HB H 1 1.791 0.017 . 1 . . . . 79 ILE HB . 6712 1 929 . 1 1 79 79 ILE HG12 H 1 1.379 0.015 . 1 . . . . 79 ILE HG12 . 6712 1 930 . 1 1 79 79 ILE HG13 H 1 1.379 0.015 . 1 . . . . 79 ILE HG13 . 6712 1 931 . 1 1 79 79 ILE HG21 H 1 0.677 0.009 . 1 . . . . 79 ILE HG2 . 6712 1 932 . 1 1 79 79 ILE HG22 H 1 0.677 0.009 . 1 . . . . 79 ILE HG2 . 6712 1 933 . 1 1 79 79 ILE HG23 H 1 0.677 0.009 . 1 . . . . 79 ILE HG2 . 6712 1 934 . 1 1 79 79 ILE HD11 H 1 0.656 0.003 . 1 . . . . 79 ILE HD1 . 6712 1 935 . 1 1 79 79 ILE HD12 H 1 0.656 0.003 . 1 . . . . 79 ILE HD1 . 6712 1 936 . 1 1 79 79 ILE HD13 H 1 0.656 0.003 . 1 . . . . 79 ILE HD1 . 6712 1 937 . 1 1 79 79 ILE C C 13 175.727 0.038 . 1 . . . . 79 ILE C . 6712 1 938 . 1 1 79 79 ILE CA C 13 60.489 0.146 . 1 . . . . 79 ILE CA . 6712 1 939 . 1 1 79 79 ILE CB C 13 37.777 0.107 . 1 . . . . 79 ILE CB . 6712 1 940 . 1 1 79 79 ILE CG1 C 13 27.136 0.169 . 1 . . . . 79 ILE CG1 . 6712 1 941 . 1 1 79 79 ILE CG2 C 13 17.136 0.088 . 1 . . . . 79 ILE CG2 . 6712 1 942 . 1 1 79 79 ILE CD1 C 13 13.128 0.164 . 1 . . . . 79 ILE CD1 . 6712 1 943 . 1 1 79 79 ILE N N 15 127.924 0.056 . 1 . . . . 79 ILE N . 6712 1 944 . 1 1 80 80 LYS H H 1 7.886 0.052 . 1 . . . . 80 LYS H . 6712 1 945 . 1 1 80 80 LYS HA H 1 4.223 0.019 . 1 . . . . 80 LYS HA . 6712 1 946 . 1 1 80 80 LYS HB2 H 1 1.895 0.013 . 1 . . . . 80 LYS HB2 . 6712 1 947 . 1 1 80 80 LYS HB3 H 1 1.895 0.013 . 1 . . . . 80 LYS HB3 . 6712 1 948 . 1 1 80 80 LYS HG2 H 1 1.324 0.009 . 2 . . . . 80 LYS HG2 . 6712 1 949 . 1 1 80 80 LYS HG3 H 1 1.398 0.006 . 2 . . . . 80 LYS HG3 . 6712 1 950 . 1 1 80 80 LYS HD2 H 1 1.546 0.011 . 1 . . . . 80 LYS HD2 . 6712 1 951 . 1 1 80 80 LYS HD3 H 1 1.546 0.011 . 1 . . . . 80 LYS HD3 . 6712 1 952 . 1 1 80 80 LYS HE2 H 1 2.793 0.009 . 2 . . . . 80 LYS HE2 . 6712 1 953 . 1 1 80 80 LYS HE3 H 1 2.855 0.013 . 2 . . . . 80 LYS HE3 . 6712 1 954 . 1 1 80 80 LYS C C 13 177.675 0.023 . 1 . . . . 80 LYS C . 6712 1 955 . 1 1 80 80 LYS CA C 13 57.994 0.071 . 1 . . . . 80 LYS CA . 6712 1 956 . 1 1 80 80 LYS CB C 13 32.813 0.211 . 1 . . . . 80 LYS CB . 6712 1 957 . 1 1 80 80 LYS CG C 13 24.905 0.118 . 1 . . . . 80 LYS CG . 6712 1 958 . 1 1 80 80 LYS CD C 13 28.288 0.140 . 1 . . . . 80 LYS CD . 6712 1 959 . 1 1 80 80 LYS CE C 13 41.975 0.006 . 1 . . . . 80 LYS CE . 6712 1 960 . 1 1 80 80 LYS N N 15 127.024 0.014 . 1 . . . . 80 LYS N . 6712 1 961 . 1 1 81 81 THR H H 1 8.945 0.029 . 1 . . . . 81 THR H . 6712 1 962 . 1 1 81 81 THR HA H 1 4.438 0.010 . 1 . . . . 81 THR HA . 6712 1 963 . 1 1 81 81 THR HB H 1 4.267 0.023 . 1 . . . . 81 THR HB . 6712 1 964 . 1 1 81 81 THR HG21 H 1 1.116 0.010 . 1 . . . . 81 THR HG2 . 6712 1 965 . 1 1 81 81 THR HG22 H 1 1.116 0.010 . 1 . . . . 81 THR HG2 . 6712 1 966 . 1 1 81 81 THR HG23 H 1 1.116 0.010 . 1 . . . . 81 THR HG2 . 6712 1 967 . 1 1 81 81 THR C C 13 173.258 0.026 . 1 . . . . 81 THR C . 6712 1 968 . 1 1 81 81 THR CA C 13 60.253 0.149 . 1 . . . . 81 THR CA . 6712 1 969 . 1 1 81 81 THR CB C 13 69.838 0.100 . 1 . . . . 81 THR CB . 6712 1 970 . 1 1 81 81 THR CG2 C 13 22.295 0.046 . 1 . . . . 81 THR CG2 . 6712 1 971 . 1 1 81 81 THR N N 15 110.765 0.000 . 1 . . . . 81 THR N . 6712 1 972 . 1 1 82 82 ASP H H 1 8.735 0.010 . 1 . . . . 82 ASP H . 6712 1 973 . 1 1 82 82 ASP HA H 1 4.464 0.015 . 1 . . . . 82 ASP HA . 6712 1 974 . 1 1 82 82 ASP HB2 H 1 2.789 0.015 . 2 . . . . 82 ASP HB2 . 6712 1 975 . 1 1 82 82 ASP HB3 H 1 3.007 0.012 . 2 . . . . 82 ASP HB3 . 6712 1 976 . 1 1 82 82 ASP C C 13 175.130 0.010 . 1 . . . . 82 ASP C . 6712 1 977 . 1 1 82 82 ASP CA C 13 53.237 0.143 . 1 . . . . 82 ASP CA . 6712 1 978 . 1 1 82 82 ASP CB C 13 41.279 0.081 . 1 . . . . 82 ASP CB . 6712 1 979 . 1 1 82 82 ASP N N 15 123.205 0.100 . 1 . . . . 82 ASP N . 6712 1 980 . 1 1 83 83 LEU H H 1 7.936 0.022 . 1 . . . . 83 LEU H . 6712 1 981 . 1 1 83 83 LEU HA H 1 4.656 0.013 . 1 . . . . 83 LEU HA . 6712 1 982 . 1 1 83 83 LEU HB2 H 1 1.649 0.019 . 2 . . . . 83 LEU HB2 . 6712 1 983 . 1 1 83 83 LEU HB3 H 1 1.963 0.010 . 2 . . . . 83 LEU HB3 . 6712 1 984 . 1 1 83 83 LEU HG H 1 1.660 0.007 . 1 . . . . 83 LEU HG . 6712 1 985 . 1 1 83 83 LEU HD11 H 1 0.971 0.010 . 2 . . . . 83 LEU HD1 . 6712 1 986 . 1 1 83 83 LEU HD12 H 1 0.971 0.010 . 2 . . . . 83 LEU HD1 . 6712 1 987 . 1 1 83 83 LEU HD13 H 1 0.971 0.010 . 2 . . . . 83 LEU HD1 . 6712 1 988 . 1 1 83 83 LEU HD21 H 1 0.875 0.009 . 2 . . . . 83 LEU HD2 . 6712 1 989 . 1 1 83 83 LEU HD22 H 1 0.875 0.009 . 2 . . . . 83 LEU HD2 . 6712 1 990 . 1 1 83 83 LEU HD23 H 1 0.875 0.009 . 2 . . . . 83 LEU HD2 . 6712 1 991 . 1 1 83 83 LEU C C 13 175.809 0.047 . 1 . . . . 83 LEU C . 6712 1 992 . 1 1 83 83 LEU CA C 13 53.876 0.284 . 1 . . . . 83 LEU CA . 6712 1 993 . 1 1 83 83 LEU CB C 13 40.719 0.142 . 1 . . . . 83 LEU CB . 6712 1 994 . 1 1 83 83 LEU CG C 13 26.615 0.236 . 1 . . . . 83 LEU CG . 6712 1 995 . 1 1 83 83 LEU CD1 C 13 26.130 0.082 . 2 . . . . 83 LEU CD1 . 6712 1 996 . 1 1 83 83 LEU CD2 C 13 23.345 0.057 . 2 . . . . 83 LEU CD2 . 6712 1 997 . 1 1 83 83 LEU N N 15 115.389 0.069 . 1 . . . . 83 LEU N . 6712 1 998 . 1 1 84 84 SER H H 1 7.918 0.019 . 1 . . . . 84 SER H . 6712 1 999 . 1 1 84 84 SER HA H 1 4.248 0.018 . 1 . . . . 84 SER HA . 6712 1 1000 . 1 1 84 84 SER HB2 H 1 3.739 0.019 . 1 . . . . 84 SER HB2 . 6712 1 1001 . 1 1 84 84 SER HB3 H 1 3.739 0.019 . 1 . . . . 84 SER HB3 . 6712 1 1002 . 1 1 84 84 SER HG H 1 4.626 0.009 . 1 . . . . 84 SER HG . 6712 1 1003 . 1 1 84 84 SER C C 13 173.850 0.036 . 1 . . . . 84 SER C . 6712 1 1004 . 1 1 84 84 SER CA C 13 59.077 0.153 . 1 . . . . 84 SER CA . 6712 1 1005 . 1 1 84 84 SER CB C 13 64.513 0.085 . 1 . . . . 84 SER CB . 6712 1 1006 . 1 1 84 84 SER N N 15 113.132 0.040 . 1 . . . . 84 SER N . 6712 1 1007 . 1 1 85 85 PHE H H 1 8.165 0.020 . 1 . . . . 85 PHE H . 6712 1 1008 . 1 1 85 85 PHE HA H 1 3.608 0.015 . 1 . . . . 85 PHE HA . 6712 1 1009 . 1 1 85 85 PHE HB2 H 1 2.497 0.018 . 2 . . . . 85 PHE HB2 . 6712 1 1010 . 1 1 85 85 PHE HB3 H 1 2.754 0.016 . 2 . . . . 85 PHE HB3 . 6712 1 1011 . 1 1 85 85 PHE HD1 H 1 6.711 0.013 . 1 . . . . 85 PHE HD . 6712 1 1012 . 1 1 85 85 PHE HD2 H 1 6.711 0.013 . 1 . . . . 85 PHE HD . 6712 1 1013 . 1 1 85 85 PHE HE1 H 1 7.346 0.009 . 1 . . . . 85 PHE HE . 6712 1 1014 . 1 1 85 85 PHE HE2 H 1 7.346 0.009 . 1 . . . . 85 PHE HE . 6712 1 1015 . 1 1 85 85 PHE C C 13 174.778 0.031 . 1 . . . . 85 PHE C . 6712 1 1016 . 1 1 85 85 PHE CA C 13 59.728 0.142 . 1 . . . . 85 PHE CA . 6712 1 1017 . 1 1 85 85 PHE CB C 13 39.438 0.078 . 1 . . . . 85 PHE CB . 6712 1 1018 . 1 1 85 85 PHE CD1 C 13 131.477 0.014 . 1 . . . . 85 PHE CD . 6712 1 1019 . 1 1 85 85 PHE CD2 C 13 131.477 0.014 . 1 . . . . 85 PHE CD . 6712 1 1020 . 1 1 85 85 PHE CE1 C 13 131.458 0.043 . 1 . . . . 85 PHE CE . 6712 1 1021 . 1 1 85 85 PHE CE2 C 13 131.458 0.043 . 1 . . . . 85 PHE CE . 6712 1 1022 . 1 1 85 85 PHE N N 15 120.814 0.017 . 1 . . . . 85 PHE N . 6712 1 1023 . 1 1 86 86 GLY H H 1 8.552 0.025 . 1 . . . . 86 GLY H . 6712 1 1024 . 1 1 86 86 GLY HA2 H 1 3.024 0.022 . 2 . . . . 86 GLY HA2 . 6712 1 1025 . 1 1 86 86 GLY HA3 H 1 3.883 0.024 . 2 . . . . 86 GLY HA3 . 6712 1 1026 . 1 1 86 86 GLY C C 13 174.724 0.100 . 1 . . . . 86 GLY C . 6712 1 1027 . 1 1 86 86 GLY CA C 13 44.285 0.057 . 1 . . . . 86 GLY CA . 6712 1 1028 . 1 1 86 86 GLY N N 15 117.362 0.035 . 1 . . . . 86 GLY N . 6712 1 1029 . 1 1 87 87 SER H H 1 8.342 0.021 . 1 . . . . 87 SER H . 6712 1 1030 . 1 1 87 87 SER HA H 1 4.368 0.022 . 1 . . . . 87 SER HA . 6712 1 1031 . 1 1 87 87 SER HB2 H 1 3.990 0.026 . 1 . . . . 87 SER HB2 . 6712 1 1032 . 1 1 87 87 SER HB3 H 1 3.990 0.026 . 1 . . . . 87 SER HB3 . 6712 1 1033 . 1 1 87 87 SER C C 13 172.419 0.062 . 1 . . . . 87 SER C . 6712 1 1034 . 1 1 87 87 SER CA C 13 59.328 0.211 . 1 . . . . 87 SER CA . 6712 1 1035 . 1 1 87 87 SER CB C 13 64.480 0.287 . 1 . . . . 87 SER CB . 6712 1 1036 . 1 1 87 87 SER N N 15 118.474 0.199 . 1 . . . . 87 SER N . 6712 1 1037 . 1 1 88 88 GLN H H 1 8.717 0.012 . 1 . . . . 88 GLN H . 6712 1 1038 . 1 1 88 88 GLN HA H 1 5.557 0.019 . 1 . . . . 88 GLN HA . 6712 1 1039 . 1 1 88 88 GLN HB2 H 1 1.884 0.014 . 2 . . . . 88 GLN HB2 . 6712 1 1040 . 1 1 88 88 GLN HB3 H 1 1.985 0.013 . 2 . . . . 88 GLN HB3 . 6712 1 1041 . 1 1 88 88 GLN HG2 H 1 2.155 0.007 . 2 . . . . 88 GLN HG2 . 6712 1 1042 . 1 1 88 88 GLN HG3 H 1 2.212 0.012 . 2 . . . . 88 GLN HG3 . 6712 1 1043 . 1 1 88 88 GLN HE21 H 1 7.538 0.004 . 1 . . . . 88 GLN HE21 . 6712 1 1044 . 1 1 88 88 GLN HE22 H 1 6.800 0.011 . 1 . . . . 88 GLN HE22 . 6712 1 1045 . 1 1 88 88 GLN C C 13 175.546 0.003 . 1 . . . . 88 GLN C . 6712 1 1046 . 1 1 88 88 GLN CA C 13 54.425 0.101 . 1 . . . . 88 GLN CA . 6712 1 1047 . 1 1 88 88 GLN CB C 13 33.074 0.361 . 1 . . . . 88 GLN CB . 6712 1 1048 . 1 1 88 88 GLN CG C 13 35.055 0.051 . 1 . . . . 88 GLN CG . 6712 1 1049 . 1 1 88 88 GLN N N 15 120.240 0.047 . 1 . . . . 88 GLN N . 6712 1 1050 . 1 1 88 88 GLN NE2 N 15 111.986 0.007 . 1 . . . . 88 GLN NE2 . 6712 1 1051 . 1 1 89 89 ILE H H 1 8.816 0.025 . 1 . . . . 89 ILE H . 6712 1 1052 . 1 1 89 89 ILE HA H 1 4.705 0.017 . 1 . . . . 89 ILE HA . 6712 1 1053 . 1 1 89 89 ILE HB H 1 1.159 0.014 . 1 . . . . 89 ILE HB . 6712 1 1054 . 1 1 89 89 ILE HG12 H 1 0.243 0.018 . 2 . . . . 89 ILE HG12 . 6712 1 1055 . 1 1 89 89 ILE HG13 H 1 0.424 0.004 . 2 . . . . 89 ILE HG13 . 6712 1 1056 . 1 1 89 89 ILE HG21 H 1 0.483 0.017 . 1 . . . . 89 ILE HG2 . 6712 1 1057 . 1 1 89 89 ILE HG22 H 1 0.483 0.017 . 1 . . . . 89 ILE HG2 . 6712 1 1058 . 1 1 89 89 ILE HG23 H 1 0.483 0.017 . 1 . . . . 89 ILE HG2 . 6712 1 1059 . 1 1 89 89 ILE HD11 H 1 -0.617 0.014 . 1 . . . . 89 ILE HD1 . 6712 1 1060 . 1 1 89 89 ILE HD12 H 1 -0.617 0.014 . 1 . . . . 89 ILE HD1 . 6712 1 1061 . 1 1 89 89 ILE HD13 H 1 -0.617 0.014 . 1 . . . . 89 ILE HD1 . 6712 1 1062 . 1 1 89 89 ILE C C 13 173.612 0.022 . 1 . . . . 89 ILE C . 6712 1 1063 . 1 1 89 89 ILE CA C 13 59.452 0.230 . 1 . . . . 89 ILE CA . 6712 1 1064 . 1 1 89 89 ILE CB C 13 40.363 0.161 . 1 . . . . 89 ILE CB . 6712 1 1065 . 1 1 89 89 ILE CG1 C 13 24.114 0.053 . 1 . . . . 89 ILE CG1 . 6712 1 1066 . 1 1 89 89 ILE CG2 C 13 18.761 0.153 . 1 . . . . 89 ILE CG2 . 6712 1 1067 . 1 1 89 89 ILE CD1 C 13 12.800 0.046 . 1 . . . . 89 ILE CD1 . 6712 1 1068 . 1 1 89 89 ILE N N 15 118.738 0.164 . 1 . . . . 89 ILE N . 6712 1 1069 . 1 1 90 90 GLU H H 1 7.817 0.015 . 1 . . . . 90 GLU H . 6712 1 1070 . 1 1 90 90 GLU HA H 1 4.798 0.018 . 1 . . . . 90 GLU HA . 6712 1 1071 . 1 1 90 90 GLU HB2 H 1 1.689 0.033 . 2 . . . . 90 GLU HB2 . 6712 1 1072 . 1 1 90 90 GLU HB3 H 1 1.917 0.014 . 2 . . . . 90 GLU HB3 . 6712 1 1073 . 1 1 90 90 GLU HG2 H 1 2.120 0.016 . 2 . . . . 90 GLU HG2 . 6712 1 1074 . 1 1 90 90 GLU HG3 H 1 2.133 0.040 . 2 . . . . 90 GLU HG3 . 6712 1 1075 . 1 1 90 90 GLU C C 13 173.835 0.036 . 1 . . . . 90 GLU C . 6712 1 1076 . 1 1 90 90 GLU CA C 13 53.562 0.110 . 1 . . . . 90 GLU CA . 6712 1 1077 . 1 1 90 90 GLU CB C 13 32.984 0.111 . 1 . . . . 90 GLU CB . 6712 1 1078 . 1 1 90 90 GLU CG C 13 35.505 0.056 . 1 . . . . 90 GLU CG . 6712 1 1079 . 1 1 90 90 GLU N N 15 118.675 0.121 . 1 . . . . 90 GLU N . 6712 1 1080 . 1 1 91 91 PHE H H 1 8.386 0.019 . 1 . . . . 91 PHE H . 6712 1 1081 . 1 1 91 91 PHE HA H 1 5.407 0.015 . 1 . . . . 91 PHE HA . 6712 1 1082 . 1 1 91 91 PHE HB2 H 1 2.538 0.011 . 2 . . . . 91 PHE HB2 . 6712 1 1083 . 1 1 91 91 PHE HB3 H 1 2.774 0.020 . 2 . . . . 91 PHE HB3 . 6712 1 1084 . 1 1 91 91 PHE HD1 H 1 7.020 0.013 . 1 . . . . 91 PHE HD . 6712 1 1085 . 1 1 91 91 PHE HD2 H 1 7.020 0.013 . 1 . . . . 91 PHE HD . 6712 1 1086 . 1 1 91 91 PHE HE1 H 1 6.681 0.021 . 1 . . . . 91 PHE HE . 6712 1 1087 . 1 1 91 91 PHE HE2 H 1 6.681 0.021 . 1 . . . . 91 PHE HE . 6712 1 1088 . 1 1 91 91 PHE HZ H 1 6.722 0.004 . 1 . . . . 91 PHE HZ . 6712 1 1089 . 1 1 91 91 PHE C C 13 174.500 0.035 . 1 . . . . 91 PHE C . 6712 1 1090 . 1 1 91 91 PHE CA C 13 54.933 0.107 . 1 . . . . 91 PHE CA . 6712 1 1091 . 1 1 91 91 PHE CB C 13 43.212 0.122 . 1 . . . . 91 PHE CB . 6712 1 1092 . 1 1 91 91 PHE CD1 C 13 132.173 0.031 . 1 . . . . 91 PHE CD . 6712 1 1093 . 1 1 91 91 PHE CD2 C 13 132.173 0.031 . 1 . . . . 91 PHE CD . 6712 1 1094 . 1 1 91 91 PHE CE1 C 13 130.653 0.006 . 1 . . . . 91 PHE CE . 6712 1 1095 . 1 1 91 91 PHE CE2 C 13 130.653 0.006 . 1 . . . . 91 PHE CE . 6712 1 1096 . 1 1 91 91 PHE CZ C 13 128.953 0.009 . 1 . . . . 91 PHE CZ . 6712 1 1097 . 1 1 91 91 PHE N N 15 121.520 0.088 . 1 . . . . 91 PHE N . 6712 1 1098 . 1 1 92 92 SER H H 1 8.255 0.027 . 1 . . . . 92 SER H . 6712 1 1099 . 1 1 92 92 SER HA H 1 4.505 0.020 . 1 . . . . 92 SER HA . 6712 1 1100 . 1 1 92 92 SER HB2 H 1 3.775 0.020 . 1 . . . . 92 SER HB2 . 6712 1 1101 . 1 1 92 92 SER HB3 H 1 3.775 0.020 . 1 . . . . 92 SER HB3 . 6712 1 1102 . 1 1 92 92 SER HG H 1 4.645 0.002 . 1 . . . . 92 SER HG . 6712 1 1103 . 1 1 92 92 SER C C 13 172.679 0.028 . 1 . . . . 92 SER C . 6712 1 1104 . 1 1 92 92 SER CA C 13 57.227 0.237 . 1 . . . . 92 SER CA . 6712 1 1105 . 1 1 92 92 SER CB C 13 65.615 0.080 . 1 . . . . 92 SER CB . 6712 1 1106 . 1 1 92 92 SER N N 15 112.731 0.040 . 1 . . . . 92 SER N . 6712 1 1107 . 1 1 93 93 CYS H H 1 8.720 0.014 . 1 . . . . 93 CYS H . 6712 1 1108 . 1 1 93 93 CYS HA H 1 5.258 0.017 . 1 . . . . 93 CYS HA . 6712 1 1109 . 1 1 93 93 CYS HB2 H 1 2.427 0.020 . 2 . . . . 93 CYS HB2 . 6712 1 1110 . 1 1 93 93 CYS HB3 H 1 2.952 0.013 . 2 . . . . 93 CYS HB3 . 6712 1 1111 . 1 1 93 93 CYS C C 13 175.000 0.007 . 1 . . . . 93 CYS C . 6712 1 1112 . 1 1 93 93 CYS CA C 13 53.561 0.146 . 1 . . . . 93 CYS CA . 6712 1 1113 . 1 1 93 93 CYS CB C 13 41.138 0.173 . 1 . . . . 93 CYS CB . 6712 1 1114 . 1 1 93 93 CYS N N 15 117.209 0.051 . 1 . . . . 93 CYS N . 6712 1 1115 . 1 1 94 94 SER H H 1 8.892 0.016 . 1 . . . . 94 SER H . 6712 1 1116 . 1 1 94 94 SER HA H 1 4.285 0.018 . 1 . . . . 94 SER HA . 6712 1 1117 . 1 1 94 94 SER HB2 H 1 3.532 0.015 . 2 . . . . 94 SER HB2 . 6712 1 1118 . 1 1 94 94 SER HB3 H 1 3.962 0.023 . 2 . . . . 94 SER HB3 . 6712 1 1119 . 1 1 94 94 SER C C 13 172.524 0.058 . 1 . . . . 94 SER C . 6712 1 1120 . 1 1 94 94 SER CA C 13 59.084 0.103 . 1 . . . . 94 SER CA . 6712 1 1121 . 1 1 94 94 SER CB C 13 64.052 0.166 . 1 . . . . 94 SER CB . 6712 1 1122 . 1 1 94 94 SER N N 15 119.836 0.022 . 1 . . . . 94 SER N . 6712 1 1123 . 1 1 95 95 GLU H H 1 8.433 0.012 . 1 . . . . 95 GLU H . 6712 1 1124 . 1 1 95 95 GLU HA H 1 4.135 0.020 . 1 . . . . 95 GLU HA . 6712 1 1125 . 1 1 95 95 GLU HB2 H 1 1.941 0.010 . 2 . . . . 95 GLU HB2 . 6712 1 1126 . 1 1 95 95 GLU HB3 H 1 2.032 0.011 . 2 . . . . 95 GLU HB3 . 6712 1 1127 . 1 1 95 95 GLU HG2 H 1 2.316 0.015 . 1 . . . . 95 GLU HG2 . 6712 1 1128 . 1 1 95 95 GLU HG3 H 1 2.316 0.015 . 1 . . . . 95 GLU HG3 . 6712 1 1129 . 1 1 95 95 GLU C C 13 177.352 0.040 . 1 . . . . 95 GLU C . 6712 1 1130 . 1 1 95 95 GLU CA C 13 58.512 0.068 . 1 . . . . 95 GLU CA . 6712 1 1131 . 1 1 95 95 GLU CB C 13 29.154 0.086 . 1 . . . . 95 GLU CB . 6712 1 1132 . 1 1 95 95 GLU CG C 13 35.339 0.003 . 1 . . . . 95 GLU CG . 6712 1 1133 . 1 1 95 95 GLU N N 15 121.789 0.035 . 1 . . . . 95 GLU N . 6712 1 1134 . 1 1 96 96 GLY H H 1 8.883 0.013 . 1 . . . . 96 GLY H . 6712 1 1135 . 1 1 96 96 GLY HA2 H 1 3.415 0.019 . 2 . . . . 96 GLY HA2 . 6712 1 1136 . 1 1 96 96 GLY HA3 H 1 4.155 0.016 . 2 . . . . 96 GLY HA3 . 6712 1 1137 . 1 1 96 96 GLY C C 13 173.211 0.005 . 1 . . . . 96 GLY C . 6712 1 1138 . 1 1 96 96 GLY CA C 13 44.758 0.118 . 1 . . . . 96 GLY CA . 6712 1 1139 . 1 1 96 96 GLY N N 15 112.824 0.010 . 1 . . . . 96 GLY N . 6712 1 1140 . 1 1 97 97 PHE H H 1 8.174 0.023 . 1 . . . . 97 PHE H . 6712 1 1141 . 1 1 97 97 PHE HA H 1 5.077 0.018 . 1 . . . . 97 PHE HA . 6712 1 1142 . 1 1 97 97 PHE HB2 H 1 2.500 0.016 . 2 . . . . 97 PHE HB2 . 6712 1 1143 . 1 1 97 97 PHE HB3 H 1 3.223 0.020 . 2 . . . . 97 PHE HB3 . 6712 1 1144 . 1 1 97 97 PHE HD1 H 1 6.709 0.015 . 1 . . . . 97 PHE HD . 6712 1 1145 . 1 1 97 97 PHE HD2 H 1 6.709 0.015 . 1 . . . . 97 PHE HD . 6712 1 1146 . 1 1 97 97 PHE HE1 H 1 7.134 0.005 . 1 . . . . 97 PHE HE . 6712 1 1147 . 1 1 97 97 PHE HE2 H 1 7.134 0.005 . 1 . . . . 97 PHE HE . 6712 1 1148 . 1 1 97 97 PHE C C 13 174.316 0.000 . 1 . . . . 97 PHE C . 6712 1 1149 . 1 1 97 97 PHE CA C 13 56.636 0.076 . 1 . . . . 97 PHE CA . 6712 1 1150 . 1 1 97 97 PHE CB C 13 42.176 0.018 . 1 . . . . 97 PHE CB . 6712 1 1151 . 1 1 97 97 PHE CD1 C 13 131.645 0.001 . 1 . . . . 97 PHE CD . 6712 1 1152 . 1 1 97 97 PHE CD2 C 13 131.645 0.001 . 1 . . . . 97 PHE CD . 6712 1 1153 . 1 1 97 97 PHE CE1 C 13 131.357 0.005 . 1 . . . . 97 PHE CE . 6712 1 1154 . 1 1 97 97 PHE CE2 C 13 131.357 0.005 . 1 . . . . 97 PHE CE . 6712 1 1155 . 1 1 97 97 PHE N N 15 118.938 0.003 . 1 . . . . 97 PHE N . 6712 1 1156 . 1 1 98 98 PHE H H 1 9.716 0.021 . 1 . . . . 98 PHE H . 6712 1 1157 . 1 1 98 98 PHE HA H 1 4.848 0.018 . 1 . . . . 98 PHE HA . 6712 1 1158 . 1 1 98 98 PHE HB2 H 1 2.871 0.042 . 2 . . . . 98 PHE HB2 . 6712 1 1159 . 1 1 98 98 PHE HB3 H 1 2.904 0.024 . 2 . . . . 98 PHE HB3 . 6712 1 1160 . 1 1 98 98 PHE HD1 H 1 7.010 0.021 . 1 . . . . 98 PHE HD . 6712 1 1161 . 1 1 98 98 PHE HD2 H 1 7.010 0.021 . 1 . . . . 98 PHE HD . 6712 1 1162 . 1 1 98 98 PHE HE1 H 1 7.179 0.018 . 1 . . . . 98 PHE HE . 6712 1 1163 . 1 1 98 98 PHE HE2 H 1 7.179 0.018 . 1 . . . . 98 PHE HE . 6712 1 1164 . 1 1 98 98 PHE C C 13 172.589 0.043 . 1 . . . . 98 PHE C . 6712 1 1165 . 1 1 98 98 PHE CA C 13 56.124 0.068 . 1 . . . . 98 PHE CA . 6712 1 1166 . 1 1 98 98 PHE CB C 13 42.439 0.095 . 1 . . . . 98 PHE CB . 6712 1 1167 . 1 1 98 98 PHE CD1 C 13 132.192 0.021 . 1 . . . . 98 PHE CD . 6712 1 1168 . 1 1 98 98 PHE CD2 C 13 132.192 0.021 . 1 . . . . 98 PHE CD . 6712 1 1169 . 1 1 98 98 PHE CE1 C 13 129.579 0.004 . 1 . . . . 98 PHE CE . 6712 1 1170 . 1 1 98 98 PHE CE2 C 13 129.579 0.004 . 1 . . . . 98 PHE CE . 6712 1 1171 . 1 1 98 98 PHE N N 15 120.959 0.143 . 1 . . . . 98 PHE N . 6712 1 1172 . 1 1 99 99 LEU H H 1 8.007 0.016 . 1 . . . . 99 LEU H . 6712 1 1173 . 1 1 99 99 LEU HA H 1 4.555 0.016 . 1 . . . . 99 LEU HA . 6712 1 1174 . 1 1 99 99 LEU HB2 H 1 1.393 0.005 . 2 . . . . 99 LEU HB2 . 6712 1 1175 . 1 1 99 99 LEU HB3 H 1 1.509 0.007 . 2 . . . . 99 LEU HB3 . 6712 1 1176 . 1 1 99 99 LEU HG H 1 1.092 0.013 . 1 . . . . 99 LEU HG . 6712 1 1177 . 1 1 99 99 LEU HD11 H 1 0.639 0.008 . 2 . . . . 99 LEU HD1 . 6712 1 1178 . 1 1 99 99 LEU HD12 H 1 0.639 0.008 . 2 . . . . 99 LEU HD1 . 6712 1 1179 . 1 1 99 99 LEU HD13 H 1 0.639 0.008 . 2 . . . . 99 LEU HD1 . 6712 1 1180 . 1 1 99 99 LEU HD21 H 1 0.403 0.011 . 2 . . . . 99 LEU HD2 . 6712 1 1181 . 1 1 99 99 LEU HD22 H 1 0.403 0.011 . 2 . . . . 99 LEU HD2 . 6712 1 1182 . 1 1 99 99 LEU HD23 H 1 0.403 0.011 . 2 . . . . 99 LEU HD2 . 6712 1 1183 . 1 1 99 99 LEU C C 13 176.383 0.012 . 1 . . . . 99 LEU C . 6712 1 1184 . 1 1 99 99 LEU CA C 13 56.691 0.246 . 1 . . . . 99 LEU CA . 6712 1 1185 . 1 1 99 99 LEU CB C 13 43.877 0.084 . 1 . . . . 99 LEU CB . 6712 1 1186 . 1 1 99 99 LEU CG C 13 28.407 0.066 . 1 . . . . 99 LEU CG . 6712 1 1187 . 1 1 99 99 LEU CD1 C 13 26.667 0.130 . 2 . . . . 99 LEU CD1 . 6712 1 1188 . 1 1 99 99 LEU CD2 C 13 25.585 0.111 . 2 . . . . 99 LEU CD2 . 6712 1 1189 . 1 1 99 99 LEU N N 15 126.499 0.033 . 1 . . . . 99 LEU N . 6712 1 1190 . 1 1 100 100 ILE H H 1 9.130 0.026 . 1 . . . . 100 ILE H . 6712 1 1191 . 1 1 100 100 ILE HA H 1 4.220 0.021 . 1 . . . . 100 ILE HA . 6712 1 1192 . 1 1 100 100 ILE HB H 1 1.719 0.021 . 1 . . . . 100 ILE HB . 6712 1 1193 . 1 1 100 100 ILE HG12 H 1 1.051 0.017 . 2 . . . . 100 ILE HG12 . 6712 1 1194 . 1 1 100 100 ILE HG13 H 1 1.322 0.006 . 2 . . . . 100 ILE HG13 . 6712 1 1195 . 1 1 100 100 ILE HG21 H 1 0.809 0.016 . 1 . . . . 100 ILE HG2 . 6712 1 1196 . 1 1 100 100 ILE HG22 H 1 0.809 0.016 . 1 . . . . 100 ILE HG2 . 6712 1 1197 . 1 1 100 100 ILE HG23 H 1 0.809 0.016 . 1 . . . . 100 ILE HG2 . 6712 1 1198 . 1 1 100 100 ILE HD11 H 1 0.702 0.011 . 1 . . . . 100 ILE HD1 . 6712 1 1199 . 1 1 100 100 ILE HD12 H 1 0.702 0.011 . 1 . . . . 100 ILE HD1 . 6712 1 1200 . 1 1 100 100 ILE HD13 H 1 0.702 0.011 . 1 . . . . 100 ILE HD1 . 6712 1 1201 . 1 1 100 100 ILE C C 13 175.163 0.037 . 1 . . . . 100 ILE C . 6712 1 1202 . 1 1 100 100 ILE CA C 13 60.921 0.085 . 1 . . . . 100 ILE CA . 6712 1 1203 . 1 1 100 100 ILE CB C 13 38.903 0.160 . 1 . . . . 100 ILE CB . 6712 1 1204 . 1 1 100 100 ILE CG1 C 13 26.813 0.088 . 1 . . . . 100 ILE CG1 . 6712 1 1205 . 1 1 100 100 ILE CG2 C 13 17.172 0.046 . 1 . . . . 100 ILE CG2 . 6712 1 1206 . 1 1 100 100 ILE CD1 C 13 13.101 0.280 . 1 . . . . 100 ILE CD1 . 6712 1 1207 . 1 1 100 100 ILE N N 15 128.132 0.000 . 1 . . . . 100 ILE N . 6712 1 1208 . 1 1 101 101 GLY H H 1 8.435 0.008 . 1 . . . . 101 GLY H . 6712 1 1209 . 1 1 101 101 GLY HA2 H 1 3.597 0.018 . 2 . . . . 101 GLY HA2 . 6712 1 1210 . 1 1 101 101 GLY HA3 H 1 4.465 0.016 . 2 . . . . 101 GLY HA3 . 6712 1 1211 . 1 1 101 101 GLY C C 13 172.022 0.042 . 1 . . . . 101 GLY C . 6712 1 1212 . 1 1 101 101 GLY CA C 13 43.160 0.127 . 1 . . . . 101 GLY CA . 6712 1 1213 . 1 1 101 101 GLY N N 15 116.735 0.053 . 1 . . . . 101 GLY N . 6712 1 1214 . 1 1 102 102 SER H H 1 8.151 0.015 . 1 . . . . 102 SER H . 6712 1 1215 . 1 1 102 102 SER HA H 1 4.452 0.019 . 1 . . . . 102 SER HA . 6712 1 1216 . 1 1 102 102 SER HB2 H 1 3.411 0.015 . 2 . . . . 102 SER HB2 . 6712 1 1217 . 1 1 102 102 SER HB3 H 1 3.787 0.024 . 2 . . . . 102 SER HB3 . 6712 1 1218 . 1 1 102 102 SER C C 13 174.304 0.034 . 1 . . . . 102 SER C . 6712 1 1219 . 1 1 102 102 SER CA C 13 58.091 0.255 . 1 . . . . 102 SER CA . 6712 1 1220 . 1 1 102 102 SER CB C 13 64.072 0.068 . 1 . . . . 102 SER CB . 6712 1 1221 . 1 1 102 102 SER N N 15 115.896 0.093 . 1 . . . . 102 SER N . 6712 1 1222 . 1 1 103 103 THR H H 1 8.212 0.011 . 1 . . . . 103 THR H . 6712 1 1223 . 1 1 103 103 THR HA H 1 4.284 0.016 . 1 . . . . 103 THR HA . 6712 1 1224 . 1 1 103 103 THR HB H 1 4.539 0.014 . 1 . . . . 103 THR HB . 6712 1 1225 . 1 1 103 103 THR HG21 H 1 1.327 0.014 . 1 . . . . 103 THR HG2 . 6712 1 1226 . 1 1 103 103 THR HG22 H 1 1.327 0.014 . 1 . . . . 103 THR HG2 . 6712 1 1227 . 1 1 103 103 THR HG23 H 1 1.327 0.014 . 1 . . . . 103 THR HG2 . 6712 1 1228 . 1 1 103 103 THR C C 13 174.695 0.013 . 1 . . . . 103 THR C . 6712 1 1229 . 1 1 103 103 THR CA C 13 63.473 0.123 . 1 . . . . 103 THR CA . 6712 1 1230 . 1 1 103 103 THR CB C 13 69.566 0.209 . 1 . . . . 103 THR CB . 6712 1 1231 . 1 1 103 103 THR CG2 C 13 23.130 0.009 . 1 . . . . 103 THR CG2 . 6712 1 1232 . 1 1 103 103 THR N N 15 111.563 0.006 . 1 . . . . 103 THR N . 6712 1 1233 . 1 1 104 104 THR H H 1 7.569 0.032 . 1 . . . . 104 THR H . 6712 1 1234 . 1 1 104 104 THR HA H 1 5.059 0.016 . 1 . . . . 104 THR HA . 6712 1 1235 . 1 1 104 104 THR HB H 1 3.987 0.013 . 1 . . . . 104 THR HB . 6712 1 1236 . 1 1 104 104 THR HG1 H 1 4.806 0.002 . 1 . . . . 104 THR HG1 . 6712 1 1237 . 1 1 104 104 THR HG21 H 1 1.076 0.010 . 1 . . . . 104 THR HG2 . 6712 1 1238 . 1 1 104 104 THR HG22 H 1 1.076 0.010 . 1 . . . . 104 THR HG2 . 6712 1 1239 . 1 1 104 104 THR HG23 H 1 1.076 0.010 . 1 . . . . 104 THR HG2 . 6712 1 1240 . 1 1 104 104 THR C C 13 173.788 0.068 . 1 . . . . 104 THR C . 6712 1 1241 . 1 1 104 104 THR CA C 13 59.492 0.142 . 1 . . . . 104 THR CA . 6712 1 1242 . 1 1 104 104 THR CB C 13 73.287 0.130 . 1 . . . . 104 THR CB . 6712 1 1243 . 1 1 104 104 THR CG2 C 13 21.346 0.058 . 1 . . . . 104 THR CG2 . 6712 1 1244 . 1 1 104 104 THR N N 15 109.879 0.089 . 1 . . . . 104 THR N . 6712 1 1245 . 1 1 105 105 SER H H 1 8.053 0.031 . 1 . . . . 105 SER H . 6712 1 1246 . 1 1 105 105 SER HA H 1 4.557 0.020 . 1 . . . . 105 SER HA . 6712 1 1247 . 1 1 105 105 SER HB2 H 1 3.461 0.012 . 2 . . . . 105 SER HB2 . 6712 1 1248 . 1 1 105 105 SER HB3 H 1 3.881 0.019 . 2 . . . . 105 SER HB3 . 6712 1 1249 . 1 1 105 105 SER C C 13 171.988 0.069 . 1 . . . . 105 SER C . 6712 1 1250 . 1 1 105 105 SER CA C 13 58.183 0.133 . 1 . . . . 105 SER CA . 6712 1 1251 . 1 1 105 105 SER CB C 13 64.708 0.067 . 1 . . . . 105 SER CB . 6712 1 1252 . 1 1 105 105 SER N N 15 114.354 0.027 . 1 . . . . 105 SER N . 6712 1 1253 . 1 1 106 106 ARG H H 1 9.010 0.021 . 1 . . . . 106 ARG H . 6712 1 1254 . 1 1 106 106 ARG HA H 1 5.614 0.014 . 1 . . . . 106 ARG HA . 6712 1 1255 . 1 1 106 106 ARG HB2 H 1 1.645 0.006 . 2 . . . . 106 ARG HB2 . 6712 1 1256 . 1 1 106 106 ARG HB3 H 1 1.695 0.003 . 2 . . . . 106 ARG HB3 . 6712 1 1257 . 1 1 106 106 ARG HG2 H 1 1.333 0.005 . 2 . . . . 106 ARG HG2 . 6712 1 1258 . 1 1 106 106 ARG HG3 H 1 1.399 0.008 . 2 . . . . 106 ARG HG3 . 6712 1 1259 . 1 1 106 106 ARG HD2 H 1 3.085 0.011 . 1 . . . . 106 ARG HD2 . 6712 1 1260 . 1 1 106 106 ARG HD3 H 1 3.085 0.011 . 1 . . . . 106 ARG HD3 . 6712 1 1261 . 1 1 106 106 ARG HE H 1 7.019 0.001 . 1 . . . . 106 ARG HE . 6712 1 1262 . 1 1 106 106 ARG C C 13 175.034 0.033 . 1 . . . . 106 ARG C . 6712 1 1263 . 1 1 106 106 ARG CA C 13 54.340 0.170 . 1 . . . . 106 ARG CA . 6712 1 1264 . 1 1 106 106 ARG CB C 13 34.523 0.007 . 1 . . . . 106 ARG CB . 6712 1 1265 . 1 1 106 106 ARG CG C 13 27.647 0.124 . 1 . . . . 106 ARG CG . 6712 1 1266 . 1 1 106 106 ARG CD C 13 43.432 0.156 . 1 . . . . 106 ARG CD . 6712 1 1267 . 1 1 106 106 ARG N N 15 125.261 0.000 . 1 . . . . 106 ARG N . 6712 1 1268 . 1 1 106 106 ARG NE N 15 84.711 0.000 . 1 . . . . 106 ARG NE . 6712 1 1269 . 1 1 107 107 CYS H H 1 8.388 0.037 . 1 . . . . 107 CYS H . 6712 1 1270 . 1 1 107 107 CYS HA H 1 3.898 0.022 . 1 . . . . 107 CYS HA . 6712 1 1271 . 1 1 107 107 CYS HB2 H 1 1.624 0.019 . 2 . . . . 107 CYS HB2 . 6712 1 1272 . 1 1 107 107 CYS HB3 H 1 2.618 0.014 . 2 . . . . 107 CYS HB3 . 6712 1 1273 . 1 1 107 107 CYS C C 13 173.250 0.100 . 1 . . . . 107 CYS C . 6712 1 1274 . 1 1 107 107 CYS CA C 13 55.241 0.169 . 1 . . . . 107 CYS CA . 6712 1 1275 . 1 1 107 107 CYS CB C 13 38.807 0.093 . 1 . . . . 107 CYS CB . 6712 1 1276 . 1 1 107 107 CYS N N 15 126.172 0.084 . 1 . . . . 107 CYS N . 6712 1 1277 . 1 1 108 108 GLU H H 1 9.101 0.013 . 1 . . . . 108 GLU H . 6712 1 1278 . 1 1 108 108 GLU HA H 1 4.936 0.015 . 1 . . . . 108 GLU HA . 6712 1 1279 . 1 1 108 108 GLU HB2 H 1 1.947 0.011 . 2 . . . . 108 GLU HB2 . 6712 1 1280 . 1 1 108 108 GLU HB3 H 1 2.038 0.011 . 2 . . . . 108 GLU HB3 . 6712 1 1281 . 1 1 108 108 GLU HG2 H 1 2.267 0.017 . 1 . . . . 108 GLU HG2 . 6712 1 1282 . 1 1 108 108 GLU HG3 H 1 2.267 0.017 . 1 . . . . 108 GLU HG3 . 6712 1 1283 . 1 1 108 108 GLU C C 13 174.763 0.044 . 1 . . . . 108 GLU C . 6712 1 1284 . 1 1 108 108 GLU CA C 13 54.154 0.170 . 1 . . . . 108 GLU CA . 6712 1 1285 . 1 1 108 108 GLU CB C 13 33.696 0.296 . 1 . . . . 108 GLU CB . 6712 1 1286 . 1 1 108 108 GLU CG C 13 34.454 0.119 . 1 . . . . 108 GLU CG . 6712 1 1287 . 1 1 108 108 GLU N N 15 131.224 0.003 . 1 . . . . 108 GLU N . 6712 1 1288 . 1 1 109 109 VAL H H 1 8.360 0.011 . 1 . . . . 109 VAL H . 6712 1 1289 . 1 1 109 109 VAL HA H 1 3.879 0.014 . 1 . . . . 109 VAL HA . 6712 1 1290 . 1 1 109 109 VAL HB H 1 1.858 0.011 . 1 . . . . 109 VAL HB . 6712 1 1291 . 1 1 109 109 VAL HG11 H 1 0.696 0.008 . 2 . . . . 109 VAL HG1 . 6712 1 1292 . 1 1 109 109 VAL HG12 H 1 0.696 0.008 . 2 . . . . 109 VAL HG1 . 6712 1 1293 . 1 1 109 109 VAL HG13 H 1 0.696 0.008 . 2 . . . . 109 VAL HG1 . 6712 1 1294 . 1 1 109 109 VAL HG21 H 1 0.790 0.010 . 2 . . . . 109 VAL HG2 . 6712 1 1295 . 1 1 109 109 VAL HG22 H 1 0.790 0.010 . 2 . . . . 109 VAL HG2 . 6712 1 1296 . 1 1 109 109 VAL HG23 H 1 0.790 0.010 . 2 . . . . 109 VAL HG2 . 6712 1 1297 . 1 1 109 109 VAL C C 13 176.019 0.011 . 1 . . . . 109 VAL C . 6712 1 1298 . 1 1 109 109 VAL CA C 13 64.625 0.095 . 1 . . . . 109 VAL CA . 6712 1 1299 . 1 1 109 109 VAL CB C 13 31.813 0.154 . 1 . . . . 109 VAL CB . 6712 1 1300 . 1 1 109 109 VAL CG1 C 13 22.602 0.028 . 2 . . . . 109 VAL CG1 . 6712 1 1301 . 1 1 109 109 VAL CG2 C 13 21.410 0.034 . 2 . . . . 109 VAL CG2 . 6712 1 1302 . 1 1 109 109 VAL N N 15 119.886 0.002 . 1 . . . . 109 VAL N . 6712 1 1303 . 1 1 110 110 GLN H H 1 8.064 0.037 . 1 . . . . 110 GLN H . 6712 1 1304 . 1 1 110 110 GLN HA H 1 4.423 0.019 . 1 . . . . 110 GLN HA . 6712 1 1305 . 1 1 110 110 GLN HB2 H 1 1.561 0.027 . 2 . . . . 110 GLN HB2 . 6712 1 1306 . 1 1 110 110 GLN HB3 H 1 1.836 0.019 . 2 . . . . 110 GLN HB3 . 6712 1 1307 . 1 1 110 110 GLN HG2 H 1 2.143 0.016 . 1 . . . . 110 GLN HG2 . 6712 1 1308 . 1 1 110 110 GLN HG3 H 1 2.143 0.016 . 1 . . . . 110 GLN HG3 . 6712 1 1309 . 1 1 110 110 GLN HE21 H 1 7.685 0.013 . 1 . . . . 110 GLN HE21 . 6712 1 1310 . 1 1 110 110 GLN HE22 H 1 6.128 0.011 . 1 . . . . 110 GLN HE22 . 6712 1 1311 . 1 1 110 110 GLN C C 13 175.079 0.024 . 1 . . . . 110 GLN C . 6712 1 1312 . 1 1 110 110 GLN CA C 13 54.573 0.183 . 1 . . . . 110 GLN CA . 6712 1 1313 . 1 1 110 110 GLN CB C 13 30.495 0.116 . 1 . . . . 110 GLN CB . 6712 1 1314 . 1 1 110 110 GLN CG C 13 33.314 0.070 . 1 . . . . 110 GLN CG . 6712 1 1315 . 1 1 110 110 GLN N N 15 127.186 0.023 . 1 . . . . 110 GLN N . 6712 1 1316 . 1 1 110 110 GLN NE2 N 15 111.003 0.008 . 1 . . . . 110 GLN NE2 . 6712 1 1317 . 1 1 111 111 ASP H H 1 8.777 0.009 . 1 . . . . 111 ASP H . 6712 1 1318 . 1 1 111 111 ASP HA H 1 4.110 0.021 . 1 . . . . 111 ASP HA . 6712 1 1319 . 1 1 111 111 ASP HB2 H 1 2.614 0.015 . 2 . . . . 111 ASP HB2 . 6712 1 1320 . 1 1 111 111 ASP HB3 H 1 2.781 0.017 . 2 . . . . 111 ASP HB3 . 6712 1 1321 . 1 1 111 111 ASP C C 13 176.182 0.100 . 1 . . . . 111 ASP C . 6712 1 1322 . 1 1 111 111 ASP CA C 13 56.960 0.080 . 1 . . . . 111 ASP CA . 6712 1 1323 . 1 1 111 111 ASP CB C 13 39.849 0.115 . 1 . . . . 111 ASP CB . 6712 1 1324 . 1 1 111 111 ASP N N 15 123.649 0.031 . 1 . . . . 111 ASP N . 6712 1 1325 . 1 1 112 112 ARG H H 1 8.105 0.012 . 1 . . . . 112 ARG H . 6712 1 1326 . 1 1 112 112 ARG HA H 1 4.310 0.013 . 1 . . . . 112 ARG HA . 6712 1 1327 . 1 1 112 112 ARG HB2 H 1 1.683 0.022 . 2 . . . . 112 ARG HB2 . 6712 1 1328 . 1 1 112 112 ARG HB3 H 1 1.968 0.016 . 2 . . . . 112 ARG HB3 . 6712 1 1329 . 1 1 112 112 ARG HG2 H 1 1.538 0.018 . 1 . . . . 112 ARG HG2 . 6712 1 1330 . 1 1 112 112 ARG HG3 H 1 1.538 0.018 . 1 . . . . 112 ARG HG3 . 6712 1 1331 . 1 1 112 112 ARG HD2 H 1 3.116 0.013 . 1 . . . . 112 ARG HD2 . 6712 1 1332 . 1 1 112 112 ARG HD3 H 1 3.116 0.013 . 1 . . . . 112 ARG HD3 . 6712 1 1333 . 1 1 112 112 ARG C C 13 175.665 0.032 . 1 . . . . 112 ARG C . 6712 1 1334 . 1 1 112 112 ARG CA C 13 56.093 0.113 . 1 . . . . 112 ARG CA . 6712 1 1335 . 1 1 112 112 ARG CB C 13 29.863 0.034 . 1 . . . . 112 ARG CB . 6712 1 1336 . 1 1 112 112 ARG CG C 13 27.104 0.039 . 1 . . . . 112 ARG CG . 6712 1 1337 . 1 1 112 112 ARG CD C 13 43.403 0.015 . 1 . . . . 112 ARG CD . 6712 1 1338 . 1 1 112 112 ARG N N 15 118.665 0.090 . 1 . . . . 112 ARG N . 6712 1 1339 . 1 1 113 113 GLY H H 1 7.738 0.018 . 1 . . . . 113 GLY H . 6712 1 1340 . 1 1 113 113 GLY HA2 H 1 3.958 0.062 . 2 . . . . 113 GLY HA2 . 6712 1 1341 . 1 1 113 113 GLY HA3 H 1 4.005 0.028 . 2 . . . . 113 GLY HA3 . 6712 1 1342 . 1 1 113 113 GLY C C 13 173.121 0.021 . 1 . . . . 113 GLY C . 6712 1 1343 . 1 1 113 113 GLY CA C 13 44.958 0.071 . 1 . . . . 113 GLY CA . 6712 1 1344 . 1 1 113 113 GLY N N 15 109.329 0.030 . 1 . . . . 113 GLY N . 6712 1 1345 . 1 1 114 114 VAL H H 1 8.145 0.008 . 1 . . . . 114 VAL H . 6712 1 1346 . 1 1 114 114 VAL HA H 1 5.156 0.017 . 1 . . . . 114 VAL HA . 6712 1 1347 . 1 1 114 114 VAL HB H 1 1.886 0.016 . 1 . . . . 114 VAL HB . 6712 1 1348 . 1 1 114 114 VAL HG11 H 1 0.501 0.011 . 2 . . . . 114 VAL HG1 . 6712 1 1349 . 1 1 114 114 VAL HG12 H 1 0.501 0.011 . 2 . . . . 114 VAL HG1 . 6712 1 1350 . 1 1 114 114 VAL HG13 H 1 0.501 0.011 . 2 . . . . 114 VAL HG1 . 6712 1 1351 . 1 1 114 114 VAL HG21 H 1 0.419 0.009 . 2 . . . . 114 VAL HG2 . 6712 1 1352 . 1 1 114 114 VAL HG22 H 1 0.419 0.009 . 2 . . . . 114 VAL HG2 . 6712 1 1353 . 1 1 114 114 VAL HG23 H 1 0.419 0.009 . 2 . . . . 114 VAL HG2 . 6712 1 1354 . 1 1 114 114 VAL C C 13 175.522 0.031 . 1 . . . . 114 VAL C . 6712 1 1355 . 1 1 114 114 VAL CA C 13 58.967 0.094 . 1 . . . . 114 VAL CA . 6712 1 1356 . 1 1 114 114 VAL CB C 13 34.582 0.100 . 1 . . . . 114 VAL CB . 6712 1 1357 . 1 1 114 114 VAL CG1 C 13 22.614 0.150 . 2 . . . . 114 VAL CG1 . 6712 1 1358 . 1 1 114 114 VAL CG2 C 13 19.223 0.034 . 2 . . . . 114 VAL CG2 . 6712 1 1359 . 1 1 114 114 VAL N N 15 115.954 0.151 . 1 . . . . 114 VAL N . 6712 1 1360 . 1 1 115 115 GLY H H 1 8.880 0.028 . 1 . . . . 115 GLY H . 6712 1 1361 . 1 1 115 115 GLY HA2 H 1 3.709 0.013 . 2 . . . . 115 GLY HA2 . 6712 1 1362 . 1 1 115 115 GLY HA3 H 1 3.857 0.011 . 2 . . . . 115 GLY HA3 . 6712 1 1363 . 1 1 115 115 GLY C C 13 171.282 0.018 . 1 . . . . 115 GLY C . 6712 1 1364 . 1 1 115 115 GLY CA C 13 45.020 0.117 . 1 . . . . 115 GLY CA . 6712 1 1365 . 1 1 115 115 GLY N N 15 109.920 0.039 . 1 . . . . 115 GLY N . 6712 1 1366 . 1 1 116 116 TRP H H 1 8.016 0.009 . 1 . . . . 116 TRP H . 6712 1 1367 . 1 1 116 116 TRP HA H 1 4.853 0.017 . 1 . . . . 116 TRP HA . 6712 1 1368 . 1 1 116 116 TRP HB2 H 1 2.789 0.016 . 2 . . . . 116 TRP HB2 . 6712 1 1369 . 1 1 116 116 TRP HB3 H 1 3.514 0.013 . 2 . . . . 116 TRP HB3 . 6712 1 1370 . 1 1 116 116 TRP HD1 H 1 7.271 0.005 . 1 . . . . 116 TRP HD1 . 6712 1 1371 . 1 1 116 116 TRP HE1 H 1 10.498 0.008 . 1 . . . . 116 TRP HE1 . 6712 1 1372 . 1 1 116 116 TRP HE3 H 1 7.323 0.022 . 1 . . . . 116 TRP HE3 . 6712 1 1373 . 1 1 116 116 TRP HZ2 H 1 7.162 0.009 . 1 . . . . 116 TRP HZ2 . 6712 1 1374 . 1 1 116 116 TRP HZ3 H 1 6.845 0.003 . 1 . . . . 116 TRP HZ3 . 6712 1 1375 . 1 1 116 116 TRP HH2 H 1 6.772 0.018 . 1 . . . . 116 TRP HH2 . 6712 1 1376 . 1 1 116 116 TRP C C 13 168.169 0.029 . 1 . . . . 116 TRP C . 6712 1 1377 . 1 1 116 116 TRP CA C 13 56.456 0.209 . 1 . . . . 116 TRP CA . 6712 1 1378 . 1 1 116 116 TRP CB C 13 30.025 0.040 . 1 . . . . 116 TRP CB . 6712 1 1379 . 1 1 116 116 TRP CD1 C 13 126.793 0.002 . 1 . . . . 116 TRP CD1 . 6712 1 1380 . 1 1 116 116 TRP CE3 C 13 121.014 0.004 . 1 . . . . 116 TRP CE3 . 6712 1 1381 . 1 1 116 116 TRP CZ2 C 13 113.975 0.063 . 1 . . . . 116 TRP CZ2 . 6712 1 1382 . 1 1 116 116 TRP CZ3 C 13 122.930 0.002 . 1 . . . . 116 TRP CZ3 . 6712 1 1383 . 1 1 116 116 TRP CH2 C 13 123.874 0.003 . 1 . . . . 116 TRP CH2 . 6712 1 1384 . 1 1 116 116 TRP N N 15 119.976 0.038 . 1 . . . . 116 TRP N . 6712 1 1385 . 1 1 116 116 TRP NE1 N 15 127.791 0.023 . 1 . . . . 116 TRP NE1 . 6712 1 1386 . 1 1 117 117 SER H H 1 9.729 0.026 . 1 . . . . 117 SER H . 6712 1 1387 . 1 1 117 117 SER HA H 1 3.965 0.010 . 1 . . . . 117 SER HA . 6712 1 1388 . 1 1 117 117 SER HB2 H 1 3.687 0.011 . 2 . . . . 117 SER HB2 . 6712 1 1389 . 1 1 117 117 SER HB3 H 1 3.857 0.005 . 2 . . . . 117 SER HB3 . 6712 1 1390 . 1 1 117 117 SER HG H 1 4.627 0.002 . 1 . . . . 117 SER HG . 6712 1 1391 . 1 1 117 117 SER C C 13 174.779 0.060 . 1 . . . . 117 SER C . 6712 1 1392 . 1 1 117 117 SER CA C 13 60.426 0.016 . 1 . . . . 117 SER CA . 6712 1 1393 . 1 1 117 117 SER CB C 13 62.774 0.048 . 1 . . . . 117 SER CB . 6712 1 1394 . 1 1 117 117 SER N N 15 120.631 0.087 . 1 . . . . 117 SER N . 6712 1 1395 . 1 1 118 118 HIS H H 1 7.979 0.029 . 1 . . . . 118 HIS H . 6712 1 1396 . 1 1 118 118 HIS HA H 1 5.341 0.012 . 1 . . . . 118 HIS HA . 6712 1 1397 . 1 1 118 118 HIS HB2 H 1 3.132 0.016 . 2 . . . . 118 HIS HB2 . 6712 1 1398 . 1 1 118 118 HIS HB3 H 1 3.358 0.013 . 2 . . . . 118 HIS HB3 . 6712 1 1399 . 1 1 118 118 HIS C C 13 172.873 0.100 . 1 . . . . 118 HIS C . 6712 1 1400 . 1 1 118 118 HIS CA C 13 52.676 0.094 . 1 . . . . 118 HIS CA . 6712 1 1401 . 1 1 118 118 HIS CB C 13 31.031 0.023 . 1 . . . . 118 HIS CB . 6712 1 1402 . 1 1 118 118 HIS N N 15 117.853 0.026 . 1 . . . . 118 HIS N . 6712 1 1403 . 1 1 119 119 PRO HA H 1 4.580 0.026 . 1 . . . . 119 PRO HA . 6712 1 1404 . 1 1 119 119 PRO HB2 H 1 2.013 0.011 . 2 . . . . 119 PRO HB2 . 6712 1 1405 . 1 1 119 119 PRO HB3 H 1 2.249 0.023 . 2 . . . . 119 PRO HB3 . 6712 1 1406 . 1 1 119 119 PRO HG2 H 1 1.816 0.013 . 2 . . . . 119 PRO HG2 . 6712 1 1407 . 1 1 119 119 PRO HG3 H 1 2.031 0.010 . 2 . . . . 119 PRO HG3 . 6712 1 1408 . 1 1 119 119 PRO HD2 H 1 3.778 0.038 . 2 . . . . 119 PRO HD2 . 6712 1 1409 . 1 1 119 119 PRO HD3 H 1 3.865 0.029 . 2 . . . . 119 PRO HD3 . 6712 1 1410 . 1 1 119 119 PRO CA C 13 61.705 0.159 . 1 . . . . 119 PRO CA . 6712 1 1411 . 1 1 119 119 PRO CB C 13 32.669 0.107 . 1 . . . . 119 PRO CB . 6712 1 1412 . 1 1 119 119 PRO CG C 13 26.518 0.029 . 1 . . . . 119 PRO CG . 6712 1 1413 . 1 1 119 119 PRO CD C 13 50.913 0.053 . 1 . . . . 119 PRO CD . 6712 1 1414 . 1 1 120 120 LEU H H 1 7.867 0.011 . 1 . . . . 120 LEU H . 6712 1 1415 . 1 1 120 120 LEU HA H 1 3.356 0.011 . 1 . . . . 120 LEU HA . 6712 1 1416 . 1 1 120 120 LEU HB2 H 1 1.214 0.012 . 2 . . . . 120 LEU HB2 . 6712 1 1417 . 1 1 120 120 LEU HB3 H 1 1.328 0.014 . 2 . . . . 120 LEU HB3 . 6712 1 1418 . 1 1 120 120 LEU HG H 1 1.400 0.009 . 1 . . . . 120 LEU HG . 6712 1 1419 . 1 1 120 120 LEU HD11 H 1 0.555 0.004 . 2 . . . . 120 LEU HD1 . 6712 1 1420 . 1 1 120 120 LEU HD12 H 1 0.555 0.004 . 2 . . . . 120 LEU HD1 . 6712 1 1421 . 1 1 120 120 LEU HD13 H 1 0.555 0.004 . 2 . . . . 120 LEU HD1 . 6712 1 1422 . 1 1 120 120 LEU HD21 H 1 0.458 0.010 . 2 . . . . 120 LEU HD2 . 6712 1 1423 . 1 1 120 120 LEU HD22 H 1 0.458 0.010 . 2 . . . . 120 LEU HD2 . 6712 1 1424 . 1 1 120 120 LEU HD23 H 1 0.458 0.010 . 2 . . . . 120 LEU HD2 . 6712 1 1425 . 1 1 120 120 LEU CA C 13 53.561 0.060 . 1 . . . . 120 LEU CA . 6712 1 1426 . 1 1 120 120 LEU CB C 13 41.912 0.056 . 1 . . . . 120 LEU CB . 6712 1 1427 . 1 1 120 120 LEU CG C 13 26.901 0.132 . 1 . . . . 120 LEU CG . 6712 1 1428 . 1 1 120 120 LEU CD1 C 13 25.551 0.059 . 2 . . . . 120 LEU CD1 . 6712 1 1429 . 1 1 120 120 LEU CD2 C 13 24.844 0.010 . 2 . . . . 120 LEU CD2 . 6712 1 1430 . 1 1 120 120 LEU N N 15 119.267 0.073 . 1 . . . . 120 LEU N . 6712 1 1431 . 1 1 121 121 PRO HA H 1 4.595 0.011 . 1 . . . . 121 PRO HA . 6712 1 1432 . 1 1 121 121 PRO HB2 H 1 1.658 0.002 . 2 . . . . 121 PRO HB2 . 6712 1 1433 . 1 1 121 121 PRO HB3 H 1 2.003 0.048 . 2 . . . . 121 PRO HB3 . 6712 1 1434 . 1 1 121 121 PRO HD2 H 1 2.041 0.007 . 2 . . . . 121 PRO HD2 . 6712 1 1435 . 1 1 121 121 PRO HD3 H 1 2.188 0.011 . 2 . . . . 121 PRO HD3 . 6712 1 1436 . 1 1 121 121 PRO C C 13 172.644 0.034 . 1 . . . . 121 PRO C . 6712 1 1437 . 1 1 121 121 PRO CA C 13 61.961 0.221 . 1 . . . . 121 PRO CA . 6712 1 1438 . 1 1 121 121 PRO CB C 13 32.722 0.333 . 1 . . . . 121 PRO CB . 6712 1 1439 . 1 1 121 121 PRO CD C 13 48.276 0.044 . 1 . . . . 121 PRO CD . 6712 1 1440 . 1 1 122 122 GLN H H 1 7.965 0.046 . 1 . . . . 122 GLN H . 6712 1 1441 . 1 1 122 122 GLN HA H 1 4.382 0.015 . 1 . . . . 122 GLN HA . 6712 1 1442 . 1 1 122 122 GLN HB2 H 1 1.783 0.010 . 2 . . . . 122 GLN HB2 . 6712 1 1443 . 1 1 122 122 GLN HB3 H 1 1.919 0.010 . 2 . . . . 122 GLN HB3 . 6712 1 1444 . 1 1 122 122 GLN HG2 H 1 2.174 0.014 . 1 . . . . 122 GLN HG2 . 6712 1 1445 . 1 1 122 122 GLN HG3 H 1 2.174 0.014 . 1 . . . . 122 GLN HG3 . 6712 1 1446 . 1 1 122 122 GLN HE21 H 1 7.340 0.020 . 1 . . . . 122 GLN HE21 . 6712 1 1447 . 1 1 122 122 GLN HE22 H 1 6.618 0.007 . 1 . . . . 122 GLN HE22 . 6712 1 1448 . 1 1 122 122 GLN C C 13 174.605 0.027 . 1 . . . . 122 GLN C . 6712 1 1449 . 1 1 122 122 GLN CA C 13 54.470 0.121 . 1 . . . . 122 GLN CA . 6712 1 1450 . 1 1 122 122 GLN CB C 13 32.651 0.119 . 1 . . . . 122 GLN CB . 6712 1 1451 . 1 1 122 122 GLN CG C 13 34.054 0.007 . 1 . . . . 122 GLN CG . 6712 1 1452 . 1 1 122 122 GLN N N 15 112.708 1.436 . 1 . . . . 122 GLN N . 6712 1 1453 . 1 1 122 122 GLN NE2 N 15 111.375 0.003 . 1 . . . . 122 GLN NE2 . 6712 1 1454 . 1 1 123 123 CYS H H 1 8.779 0.017 . 1 . . . . 123 CYS H . 6712 1 1455 . 1 1 123 123 CYS HA H 1 5.270 0.016 . 1 . . . . 123 CYS HA . 6712 1 1456 . 1 1 123 123 CYS HB2 H 1 2.418 0.020 . 2 . . . . 123 CYS HB2 . 6712 1 1457 . 1 1 123 123 CYS HB3 H 1 2.759 0.016 . 2 . . . . 123 CYS HB3 . 6712 1 1458 . 1 1 123 123 CYS C C 13 174.166 0.100 . 1 . . . . 123 CYS C . 6712 1 1459 . 1 1 123 123 CYS CA C 13 53.750 0.161 . 1 . . . . 123 CYS CA . 6712 1 1460 . 1 1 123 123 CYS CB C 13 40.053 0.094 . 1 . . . . 123 CYS CB . 6712 1 1461 . 1 1 123 123 CYS N N 15 121.544 0.026 . 1 . . . . 123 CYS N . 6712 1 1462 . 1 1 124 124 GLU H H 1 9.098 0.030 . 1 . . . . 124 GLU H . 6712 1 1463 . 1 1 124 124 GLU HA H 1 4.804 0.016 . 1 . . . . 124 GLU HA . 6712 1 1464 . 1 1 124 124 GLU HB2 H 1 1.468 0.014 . 2 . . . . 124 GLU HB2 . 6712 1 1465 . 1 1 124 124 GLU HB3 H 1 1.664 0.017 . 2 . . . . 124 GLU HB3 . 6712 1 1466 . 1 1 124 124 GLU HG2 H 1 2.197 0.009 . 2 . . . . 124 GLU HG2 . 6712 1 1467 . 1 1 124 124 GLU HG3 H 1 2.284 0.005 . 2 . . . . 124 GLU HG3 . 6712 1 1468 . 1 1 124 124 GLU C C 13 175.354 0.045 . 1 . . . . 124 GLU C . 6712 1 1469 . 1 1 124 124 GLU CA C 13 54.020 0.165 . 1 . . . . 124 GLU CA . 6712 1 1470 . 1 1 124 124 GLU CB C 13 32.226 0.070 . 1 . . . . 124 GLU CB . 6712 1 1471 . 1 1 124 124 GLU CG C 13 34.815 0.011 . 1 . . . . 124 GLU CG . 6712 1 1472 . 1 1 124 124 GLU N N 15 125.854 0.007 . 1 . . . . 124 GLU N . 6712 1 1473 . 1 1 125 125 ILE H H 1 8.662 0.011 . 1 . . . . 125 ILE H . 6712 1 1474 . 1 1 125 125 ILE HA H 1 3.595 0.012 . 1 . . . . 125 ILE HA . 6712 1 1475 . 1 1 125 125 ILE HB H 1 1.525 0.016 . 1 . . . . 125 ILE HB . 6712 1 1476 . 1 1 125 125 ILE HG12 H 1 0.825 0.009 . 2 . . . . 125 ILE HG12 . 6712 1 1477 . 1 1 125 125 ILE HG13 H 1 1.103 0.010 . 2 . . . . 125 ILE HG13 . 6712 1 1478 . 1 1 125 125 ILE HG21 H 1 0.657 0.006 . 1 . . . . 125 ILE HG2 . 6712 1 1479 . 1 1 125 125 ILE HG22 H 1 0.657 0.006 . 1 . . . . 125 ILE HG2 . 6712 1 1480 . 1 1 125 125 ILE HG23 H 1 0.657 0.006 . 1 . . . . 125 ILE HG2 . 6712 1 1481 . 1 1 125 125 ILE HD11 H 1 0.575 0.012 . 1 . . . . 125 ILE HD1 . 6712 1 1482 . 1 1 125 125 ILE HD12 H 1 0.575 0.012 . 1 . . . . 125 ILE HD1 . 6712 1 1483 . 1 1 125 125 ILE HD13 H 1 0.575 0.012 . 1 . . . . 125 ILE HD1 . 6712 1 1484 . 1 1 125 125 ILE C C 13 175.619 0.026 . 1 . . . . 125 ILE C . 6712 1 1485 . 1 1 125 125 ILE CA C 13 62.278 0.124 . 1 . . . . 125 ILE CA . 6712 1 1486 . 1 1 125 125 ILE CB C 13 38.866 0.102 . 1 . . . . 125 ILE CB . 6712 1 1487 . 1 1 125 125 ILE CG1 C 13 28.519 0.145 . 1 . . . . 125 ILE CG1 . 6712 1 1488 . 1 1 125 125 ILE CG2 C 13 16.962 0.019 . 1 . . . . 125 ILE CG2 . 6712 1 1489 . 1 1 125 125 ILE CD1 C 13 13.414 0.114 . 1 . . . . 125 ILE CD1 . 6712 1 1490 . 1 1 125 125 ILE N N 15 124.895 0.028 . 1 . . . . 125 ILE N . 6712 1 1491 . 1 1 126 126 LEU H H 1 7.828 0.028 . 1 . . . . 126 LEU H . 6712 1 1492 . 1 1 126 126 LEU HA H 1 4.190 0.012 . 1 . . . . 126 LEU HA . 6712 1 1493 . 1 1 126 126 LEU HB2 H 1 1.282 0.020 . 1 . . . . 126 LEU HB2 . 6712 1 1494 . 1 1 126 126 LEU HB3 H 1 1.282 0.020 . 1 . . . . 126 LEU HB3 . 6712 1 1495 . 1 1 126 126 LEU HG H 1 1.260 0.040 . 1 . . . . 126 LEU HG . 6712 1 1496 . 1 1 126 126 LEU HD11 H 1 0.625 0.016 . 2 . . . . 126 LEU HD1 . 6712 1 1497 . 1 1 126 126 LEU HD12 H 1 0.625 0.016 . 2 . . . . 126 LEU HD1 . 6712 1 1498 . 1 1 126 126 LEU HD13 H 1 0.625 0.016 . 2 . . . . 126 LEU HD1 . 6712 1 1499 . 1 1 126 126 LEU HD21 H 1 0.661 0.012 . 2 . . . . 126 LEU HD2 . 6712 1 1500 . 1 1 126 126 LEU HD22 H 1 0.661 0.012 . 2 . . . . 126 LEU HD2 . 6712 1 1501 . 1 1 126 126 LEU HD23 H 1 0.661 0.012 . 2 . . . . 126 LEU HD2 . 6712 1 1502 . 1 1 126 126 LEU C C 13 176.927 0.018 . 1 . . . . 126 LEU C . 6712 1 1503 . 1 1 126 126 LEU CA C 13 55.523 0.090 . 1 . . . . 126 LEU CA . 6712 1 1504 . 1 1 126 126 LEU CB C 13 42.688 0.126 . 1 . . . . 126 LEU CB . 6712 1 1505 . 1 1 126 126 LEU CG C 13 27.048 0.064 . 1 . . . . 126 LEU CG . 6712 1 1506 . 1 1 126 126 LEU CD1 C 13 25.111 0.018 . 2 . . . . 126 LEU CD1 . 6712 1 1507 . 1 1 126 126 LEU CD2 C 13 24.159 0.228 . 2 . . . . 126 LEU CD2 . 6712 1 1508 . 1 1 126 126 LEU N N 15 126.535 0.062 . 1 . . . . 126 LEU N . 6712 1 1509 . 1 1 127 127 GLU H H 1 8.178 0.011 . 1 . . . . 127 GLU H . 6712 1 1510 . 1 1 127 127 GLU HA H 1 4.086 0.037 . 1 . . . . 127 GLU HA . 6712 1 1511 . 1 1 127 127 GLU HB2 H 1 1.776 0.017 . 1 . . . . 127 GLU HB2 . 6712 1 1512 . 1 1 127 127 GLU HB3 H 1 1.776 0.017 . 1 . . . . 127 GLU HB3 . 6712 1 1513 . 1 1 127 127 GLU HG2 H 1 2.088 0.002 . 1 . . . . 127 GLU HG2 . 6712 1 1514 . 1 1 127 127 GLU HG3 H 1 2.088 0.002 . 1 . . . . 127 GLU HG3 . 6712 1 1515 . 1 1 127 127 GLU C C 13 176.214 0.100 . 1 . . . . 127 GLU C . 6712 1 1516 . 1 1 127 127 GLU CA C 13 56.646 0.184 . 1 . . . . 127 GLU CA . 6712 1 1517 . 1 1 127 127 GLU CB C 13 29.974 0.139 . 1 . . . . 127 GLU CB . 6712 1 1518 . 1 1 127 127 GLU CG C 13 35.691 0.100 . 1 . . . . 127 GLU CG . 6712 1 1519 . 1 1 127 127 GLU N N 15 121.971 0.008 . 1 . . . . 127 GLU N . 6712 1 1520 . 1 1 128 128 HIS H H 1 8.333 0.008 . 1 . . . . 128 HIS H . 6712 1 1521 . 1 1 128 128 HIS HA H 1 4.496 0.002 . 1 . . . . 128 HIS HA . 6712 1 1522 . 1 1 128 128 HIS HB2 H 1 3.043 0.002 . 1 . . . . 128 HIS HB2 . 6712 1 1523 . 1 1 128 128 HIS HB3 H 1 3.043 0.002 . 1 . . . . 128 HIS HB3 . 6712 1 1524 . 1 1 128 128 HIS CA C 13 55.467 0.100 . 1 . . . . 128 HIS CA . 6712 1 1525 . 1 1 128 128 HIS CB C 13 28.976 0.100 . 1 . . . . 128 HIS CB . 6712 1 1526 . 1 1 128 128 HIS N N 15 118.542 0.006 . 1 . . . . 128 HIS N . 6712 1 stop_ save_