data_7172 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7172 _Entry.Title ; Backbone and side-chain 1H, 13C and 15N resonance assignments of C-terminal domain of an actin monomer binding protein twinfilin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-16 _Entry.Accession_date 2006-06-16 _Entry.Last_release_date 2006-06-16 _Entry.Original_release_date 2006-06-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.32 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Maarit Hellman . H. . . 7172 2 Ville Paavilainen . O. . . 7172 3 Arto Annila . . . . 7172 4 Pekka Lappalainen . . . . 7172 5 Perttu Permi . I. . . 7172 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7172 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 667 7172 '15N chemical shifts' 153 7172 '1H chemical shifts' 1057 7172 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-09 2006-06-16 update BMRB 'complete entry citation' 7172 1 . . 2007-01-10 2006-06-16 original author 'original release' 7172 stop_ save_ ############### # Citations # ############### save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 7172 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16924408 _Citation.Full_citation . _Citation.Title ; NMR assignment of the C-terminal ADF-H domain of an actin monomer binding protein, twinfilin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 66 _Citation.Page_last 66 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maarit Hellman . H. . . 7172 1 2 Ville Paavilainen . O. . . 7172 1 3 Arto Annila . . . . 7172 1 4 Pekka Lappalainen . . . . 7172 1 5 Perttu Permi . I. . . 7172 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ADF-H 7172 1 twinfilin 7172 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7172 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of twinfilin' _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 free' _Assembly.Molecular_mass 16617 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7172 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 'C-terminal domain of twinfilin' 1 $Twf-C . . yes native no no . . . 7172 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Actin binding protein' 7172 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID twinfilin 7172 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Twf-C _Entity.Sf_category entity _Entity.Sf_framecode Twf-C _Entity.Entry_ID 7172 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Twf-C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AQGVAFPISRDAFQALEKLS KKQLNYVQLEIDIKNETIIL ANTENTELRDLPKRIPKDSA RYHFFLYKHSHEGDYLESVV FIYSMPGYTCSIRERMLYSS CKSPLLEIVERQLQMDVIRK IEIDNGDELTADFLYDEVHP KQ ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16617 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Actin binding' 7172 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID twinfilin na 7172 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'C-terminal domain of ttwinfilin' 7172 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 7172 1 2 . GLN . 7172 1 3 . GLY . 7172 1 4 . VAL . 7172 1 5 . ALA . 7172 1 6 . PHE . 7172 1 7 . PRO . 7172 1 8 . ILE . 7172 1 9 . SER . 7172 1 10 . ARG . 7172 1 11 . ASP . 7172 1 12 . ALA . 7172 1 13 . PHE . 7172 1 14 . GLN . 7172 1 15 . ALA . 7172 1 16 . LEU . 7172 1 17 . GLU . 7172 1 18 . LYS . 7172 1 19 . LEU . 7172 1 20 . SER . 7172 1 21 . LYS . 7172 1 22 . LYS . 7172 1 23 . GLN . 7172 1 24 . LEU . 7172 1 25 . ASN . 7172 1 26 . TYR . 7172 1 27 . VAL . 7172 1 28 . GLN . 7172 1 29 . LEU . 7172 1 30 . GLU . 7172 1 31 . ILE . 7172 1 32 . ASP . 7172 1 33 . ILE . 7172 1 34 . LYS . 7172 1 35 . ASN . 7172 1 36 . GLU . 7172 1 37 . THR . 7172 1 38 . ILE . 7172 1 39 . ILE . 7172 1 40 . LEU . 7172 1 41 . ALA . 7172 1 42 . ASN . 7172 1 43 . THR . 7172 1 44 . GLU . 7172 1 45 . ASN . 7172 1 46 . THR . 7172 1 47 . GLU . 7172 1 48 . LEU . 7172 1 49 . ARG . 7172 1 50 . ASP . 7172 1 51 . LEU . 7172 1 52 . PRO . 7172 1 53 . LYS . 7172 1 54 . ARG . 7172 1 55 . ILE . 7172 1 56 . PRO . 7172 1 57 . LYS . 7172 1 58 . ASP . 7172 1 59 . SER . 7172 1 60 . ALA . 7172 1 61 . ARG . 7172 1 62 . TYR . 7172 1 63 . HIS . 7172 1 64 . PHE . 7172 1 65 . PHE . 7172 1 66 . LEU . 7172 1 67 . TYR . 7172 1 68 . LYS . 7172 1 69 . HIS . 7172 1 70 . SER . 7172 1 71 . HIS . 7172 1 72 . GLU . 7172 1 73 . GLY . 7172 1 74 . ASP . 7172 1 75 . TYR . 7172 1 76 . LEU . 7172 1 77 . GLU . 7172 1 78 . SER . 7172 1 79 . VAL . 7172 1 80 . VAL . 7172 1 81 . PHE . 7172 1 82 . ILE . 7172 1 83 . TYR . 7172 1 84 . SER . 7172 1 85 . MET . 7172 1 86 . PRO . 7172 1 87 . GLY . 7172 1 88 . TYR . 7172 1 89 . THR . 7172 1 90 . CYS . 7172 1 91 . SER . 7172 1 92 . ILE . 7172 1 93 . ARG . 7172 1 94 . GLU . 7172 1 95 . ARG . 7172 1 96 . MET . 7172 1 97 . LEU . 7172 1 98 . TYR . 7172 1 99 . SER . 7172 1 100 . SER . 7172 1 101 . CYS . 7172 1 102 . LYS . 7172 1 103 . SER . 7172 1 104 . PRO . 7172 1 105 . LEU . 7172 1 106 . LEU . 7172 1 107 . GLU . 7172 1 108 . ILE . 7172 1 109 . VAL . 7172 1 110 . GLU . 7172 1 111 . ARG . 7172 1 112 . GLN . 7172 1 113 . LEU . 7172 1 114 . GLN . 7172 1 115 . MET . 7172 1 116 . ASP . 7172 1 117 . VAL . 7172 1 118 . ILE . 7172 1 119 . ARG . 7172 1 120 . LYS . 7172 1 121 . ILE . 7172 1 122 . GLU . 7172 1 123 . ILE . 7172 1 124 . ASP . 7172 1 125 . ASN . 7172 1 126 . GLY . 7172 1 127 . ASP . 7172 1 128 . GLU . 7172 1 129 . LEU . 7172 1 130 . THR . 7172 1 131 . ALA . 7172 1 132 . ASP . 7172 1 133 . PHE . 7172 1 134 . LEU . 7172 1 135 . TYR . 7172 1 136 . ASP . 7172 1 137 . GLU . 7172 1 138 . VAL . 7172 1 139 . HIS . 7172 1 140 . PRO . 7172 1 141 . LYS . 7172 1 142 . GLN . 7172 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 . ALA 1 1 7172 1 . GLN 2 2 7172 1 . GLY 3 3 7172 1 . VAL 4 4 7172 1 . ALA 5 5 7172 1 . PHE 6 6 7172 1 . PRO 7 7 7172 1 . ILE 8 8 7172 1 . SER 9 9 7172 1 . ARG 10 10 7172 1 . ASP 11 11 7172 1 . ALA 12 12 7172 1 . PHE 13 13 7172 1 . GLN 14 14 7172 1 . ALA 15 15 7172 1 . LEU 16 16 7172 1 . GLU 17 17 7172 1 . LYS 18 18 7172 1 . LEU 19 19 7172 1 . SER 20 20 7172 1 . LYS 21 21 7172 1 . LYS 22 22 7172 1 . GLN 23 23 7172 1 . LEU 24 24 7172 1 . ASN 25 25 7172 1 . TYR 26 26 7172 1 . VAL 27 27 7172 1 . GLN 28 28 7172 1 . LEU 29 29 7172 1 . GLU 30 30 7172 1 . ILE 31 31 7172 1 . ASP 32 32 7172 1 . ILE 33 33 7172 1 . LYS 34 34 7172 1 . ASN 35 35 7172 1 . GLU 36 36 7172 1 . THR 37 37 7172 1 . ILE 38 38 7172 1 . ILE 39 39 7172 1 . LEU 40 40 7172 1 . ALA 41 41 7172 1 . ASN 42 42 7172 1 . THR 43 43 7172 1 . GLU 44 44 7172 1 . ASN 45 45 7172 1 . THR 46 46 7172 1 . GLU 47 47 7172 1 . LEU 48 48 7172 1 . ARG 49 49 7172 1 . ASP 50 50 7172 1 . LEU 51 51 7172 1 . PRO 52 52 7172 1 . LYS 53 53 7172 1 . ARG 54 54 7172 1 . ILE 55 55 7172 1 . PRO 56 56 7172 1 . LYS 57 57 7172 1 . ASP 58 58 7172 1 . SER 59 59 7172 1 . ALA 60 60 7172 1 . ARG 61 61 7172 1 . TYR 62 62 7172 1 . HIS 63 63 7172 1 . PHE 64 64 7172 1 . PHE 65 65 7172 1 . LEU 66 66 7172 1 . TYR 67 67 7172 1 . LYS 68 68 7172 1 . HIS 69 69 7172 1 . SER 70 70 7172 1 . HIS 71 71 7172 1 . GLU 72 72 7172 1 . GLY 73 73 7172 1 . ASP 74 74 7172 1 . TYR 75 75 7172 1 . LEU 76 76 7172 1 . GLU 77 77 7172 1 . SER 78 78 7172 1 . VAL 79 79 7172 1 . VAL 80 80 7172 1 . PHE 81 81 7172 1 . ILE 82 82 7172 1 . TYR 83 83 7172 1 . SER 84 84 7172 1 . MET 85 85 7172 1 . PRO 86 86 7172 1 . GLY 87 87 7172 1 . TYR 88 88 7172 1 . THR 89 89 7172 1 . CYS 90 90 7172 1 . SER 91 91 7172 1 . ILE 92 92 7172 1 . ARG 93 93 7172 1 . GLU 94 94 7172 1 . ARG 95 95 7172 1 . MET 96 96 7172 1 . LEU 97 97 7172 1 . TYR 98 98 7172 1 . SER 99 99 7172 1 . SER 100 100 7172 1 . CYS 101 101 7172 1 . LYS 102 102 7172 1 . SER 103 103 7172 1 . PRO 104 104 7172 1 . LEU 105 105 7172 1 . LEU 106 106 7172 1 . GLU 107 107 7172 1 . ILE 108 108 7172 1 . VAL 109 109 7172 1 . GLU 110 110 7172 1 . ARG 111 111 7172 1 . GLN 112 112 7172 1 . LEU 113 113 7172 1 . GLN 114 114 7172 1 . MET 115 115 7172 1 . ASP 116 116 7172 1 . VAL 117 117 7172 1 . ILE 118 118 7172 1 . ARG 119 119 7172 1 . LYS 120 120 7172 1 . ILE 121 121 7172 1 . GLU 122 122 7172 1 . ILE 123 123 7172 1 . ASP 124 124 7172 1 . ASN 125 125 7172 1 . GLY 126 126 7172 1 . ASP 127 127 7172 1 . GLU 128 128 7172 1 . LEU 129 129 7172 1 . THR 130 130 7172 1 . ALA 131 131 7172 1 . ASP 132 132 7172 1 . PHE 133 133 7172 1 . LEU 134 134 7172 1 . TYR 135 135 7172 1 . ASP 136 136 7172 1 . GLU 137 137 7172 1 . VAL 138 138 7172 1 . HIS 139 139 7172 1 . PRO 140 140 7172 1 . LYS 141 141 7172 1 . GLN 142 142 7172 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 7172 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Twf-C . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . Non-muscle . . . . . . 7172 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 7172 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Twf-C . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . plasmid . . pRat4 . . . 7172 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7172 _Sample.ID 1 _Sample.Name . _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 'C-terminal domain of twinfilin' '[U-13C; U-15N]' . . 1 $Twf-C . protein 1 . . mM . . . . 7172 1 2 Bis-Tris . . . . . . buffer 10 . . mM . . . . 7172 1 3 'Sodium Chloride' . . . . . . salt 50 . . mM . . . . 7172 1 4 Dithiothreitol . . . . . . additive 1 . . mM . . . . 7172 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 7172 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 'ionic strength' 60 0.01 mM 7172 1 pH 6.8 0.05 pH 7172 1 temperature 298 0.5 K 7172 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7172 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version '6.1 C' _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 7172 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_Spectrometer _NMR_spectrometer.Entry_ID 7172 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 7172 _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 15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 2 13C-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 3 13C-(CT)-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 6 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 7 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 8 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 9 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 10 HC(C)H-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 11 H(C)CH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 12 (H)C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 13 H(C)(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 14 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 15 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 16 DE-MQ-(H)CCmHm-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_Spectrometer . . . . . . . . . . . . . . . . 7172 1 stop_ 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 7172 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 7172 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 7172 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 7172 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 7172 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 15N-HSQC . . isotropic 7172 1 2 13C-HSQC . . isotropic 7172 1 3 13C-(CT)-HSQC . . isotropic 7172 1 4 '3D HNCA' . . isotropic 7172 1 5 '3D HN(CO)CA' . . isotropic 7172 1 6 HNCACB . . isotropic 7172 1 7 CBCA(CO)NH . . isotropic 7172 1 8 HNCO . . isotropic 7172 1 9 HN(CA)CO . . isotropic 7172 1 10 HC(C)H-COSY . . isotropic 7172 1 11 H(C)CH-TOCSY . . isotropic 7172 1 12 (H)C(CO)NH . . isotropic 7172 1 13 H(C)(CO)NH . . isotropic 7172 1 14 (HB)CB(CGCDCE)HE . . isotropic 7172 1 15 (HB)CB(CGCD)HD . . isotropic 7172 1 16 DE-MQ-(H)CCmHm-TOCSY . . isotropic 7172 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7172 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.334 0.004 . 1 . . . . . 1 ALA H . 7172 1 2 . 1 1 1 1 ALA HA H 1 4.283 0.138 . 1 . . . . . 1 ALA HA . 7172 1 3 . 1 1 1 1 ALA HB1 H 1 1.373 0.007 . 1 . . . . . 1 ALA HB . 7172 1 4 . 1 1 1 1 ALA HB2 H 1 1.373 0.007 . 1 . . . . . 1 ALA HB . 7172 1 5 . 1 1 1 1 ALA HB3 H 1 1.373 0.007 . 1 . . . . . 1 ALA HB . 7172 1 6 . 1 1 1 1 ALA C C 13 177.649 0.02 . 1 . . . . . 1 ALA C . 7172 1 7 . 1 1 1 1 ALA CA C 13 52.196 0.163 . 1 . . . . . 1 ALA CA . 7172 1 8 . 1 1 1 1 ALA CB C 13 19.337 0.027 . 1 . . . . . 1 ALA CB . 7172 1 9 . 1 1 1 1 ALA N N 15 125.576 0.016 . 1 . . . . . 1 ALA N . 7172 1 10 . 1 1 2 2 GLN H H 1 8.302 0.004 . 1 . . . . . 2 GLN H . 7172 1 11 . 1 1 2 2 GLN HA H 1 4.335 0.006 . 1 . . . . . 2 GLN HA . 7172 1 12 . 1 1 2 2 GLN HB2 H 1 2.065 0.005 . 2 . . . . . 2 GLN HB2 . 7172 1 13 . 1 1 2 2 GLN HB3 H 1 1.98 0.007 . 2 . . . . . 2 GLN HB3 . 7172 1 14 . 1 1 2 2 GLN HG2 H 1 2.354 0.003 . 1 . . . . . 2 GLN HG2 . 7172 1 15 . 1 1 2 2 GLN HG3 H 1 2.354 0.003 . 1 . . . . . 2 GLN HG3 . 7172 1 16 . 1 1 2 2 GLN HE21 H 1 7.534 0.02 . 2 . . . . . 2 GLN HE21 . 7172 1 17 . 1 1 2 2 GLN HE22 H 1 6.848 0.02 . 2 . . . . . 2 GLN HE22 . 7172 1 18 . 1 1 2 2 GLN C C 13 176.094 0.02 . 1 . . . . . 2 GLN C . 7172 1 19 . 1 1 2 2 GLN CA C 13 56.066 0.051 . 1 . . . . . 2 GLN CA . 7172 1 20 . 1 1 2 2 GLN CB C 13 29.638 0.059 . 1 . . . . . 2 GLN CB . 7172 1 21 . 1 1 2 2 GLN CG C 13 33.835 0.012 . 1 . . . . . 2 GLN CG . 7172 1 22 . 1 1 2 2 GLN CD C 13 180.48 0.01 . 1 . . . . . 2 GLN CD . 7172 1 23 . 1 1 2 2 GLN N N 15 119.594 0.026 . 1 . . . . . 2 GLN N . 7172 1 24 . 1 1 2 2 GLN NE2 N 15 112.942 0.001 . 1 . . . . . 2 GLN NE2 . 7172 1 25 . 1 1 3 3 GLY H H 1 8.501 0.004 . 1 . . . . . 3 GLY H . 7172 1 26 . 1 1 3 3 GLY HA2 H 1 3.944 0.02 . 1 . . . . . 3 GLY HA2 . 7172 1 27 . 1 1 3 3 GLY HA3 H 1 3.944 0.02 . 1 . . . . . 3 GLY HA3 . 7172 1 28 . 1 1 3 3 GLY C C 13 173.542 0.02 . 1 . . . . . 3 GLY C . 7172 1 29 . 1 1 3 3 GLY CA C 13 45.146 0.041 . 1 . . . . . 3 GLY CA . 7172 1 30 . 1 1 3 3 GLY N N 15 111.519 0.008 . 1 . . . . . 3 GLY N . 7172 1 31 . 1 1 4 4 VAL H H 1 7.82 0.004 . 1 . . . . . 4 VAL H . 7172 1 32 . 1 1 4 4 VAL HA H 1 4.048 0.005 . 1 . . . . . 4 VAL HA . 7172 1 33 . 1 1 4 4 VAL HB H 1 1.89 0.005 . 1 . . . . . 4 VAL HB . 7172 1 34 . 1 1 4 4 VAL HG11 H 1 0.742 0.023 . 2 . . . . . 4 VAL HG1 . 7172 1 35 . 1 1 4 4 VAL HG12 H 1 0.742 0.023 . 2 . . . . . 4 VAL HG1 . 7172 1 36 . 1 1 4 4 VAL HG13 H 1 0.742 0.023 . 2 . . . . . 4 VAL HG1 . 7172 1 37 . 1 1 4 4 VAL HG21 H 1 0.761 0.036 . 2 . . . . . 4 VAL HG2 . 7172 1 38 . 1 1 4 4 VAL HG22 H 1 0.761 0.036 . 2 . . . . . 4 VAL HG2 . 7172 1 39 . 1 1 4 4 VAL HG23 H 1 0.761 0.036 . 2 . . . . . 4 VAL HG2 . 7172 1 40 . 1 1 4 4 VAL C C 13 174.923 0.02 . 1 . . . . . 4 VAL C . 7172 1 41 . 1 1 4 4 VAL CA C 13 61.799 0.03 . 1 . . . . . 4 VAL CA . 7172 1 42 . 1 1 4 4 VAL CB C 13 33.155 0.035 . 1 . . . . . 4 VAL CB . 7172 1 43 . 1 1 4 4 VAL CG1 C 13 21.373 0.024 . 2 . . . . . 4 VAL CG1 . 7172 1 44 . 1 1 4 4 VAL CG2 C 13 20.468 0.016 . 2 . . . . . 4 VAL CG2 . 7172 1 45 . 1 1 4 4 VAL N N 15 119.825 0.034 . 1 . . . . . 4 VAL N . 7172 1 46 . 1 1 5 5 ALA H H 1 8.264 0.005 . 1 . . . . . 5 ALA H . 7172 1 47 . 1 1 5 5 ALA HA H 1 4.333 0.005 . 1 . . . . . 5 ALA HA . 7172 1 48 . 1 1 5 5 ALA HB1 H 1 1.251 0.004 . 1 . . . . . 5 ALA HB . 7172 1 49 . 1 1 5 5 ALA HB2 H 1 1.251 0.004 . 1 . . . . . 5 ALA HB . 7172 1 50 . 1 1 5 5 ALA HB3 H 1 1.251 0.004 . 1 . . . . . 5 ALA HB . 7172 1 51 . 1 1 5 5 ALA C C 13 176.506 0.02 . 1 . . . . . 5 ALA C . 7172 1 52 . 1 1 5 5 ALA CA C 13 51.713 0.035 . 1 . . . . . 5 ALA CA . 7172 1 53 . 1 1 5 5 ALA CB C 13 19.671 0.068 . 1 . . . . . 5 ALA CB . 7172 1 54 . 1 1 5 5 ALA N N 15 128.097 0.018 . 1 . . . . . 5 ALA N . 7172 1 55 . 1 1 6 6 PHE H H 1 7.765 0.005 . 1 . . . . . 6 PHE H . 7172 1 56 . 1 1 6 6 PHE HA H 1 4.999 0.02 . 1 . . . . . 6 PHE HA . 7172 1 57 . 1 1 6 6 PHE HB2 H 1 2.915 0.001 . 1 . . . . . 6 PHE HB2 . 7172 1 58 . 1 1 6 6 PHE HB3 H 1 2.915 0.001 . 1 . . . . . 6 PHE HB3 . 7172 1 59 . 1 1 6 6 PHE HD1 H 1 6.991 0.006 . 1 . . . . . 6 PHE HD1 . 7172 1 60 . 1 1 6 6 PHE HD2 H 1 6.991 0.006 . 1 . . . . . 6 PHE HD2 . 7172 1 61 . 1 1 6 6 PHE HE1 H 1 7.058 0.02 . 1 . . . . . 6 PHE HE1 . 7172 1 62 . 1 1 6 6 PHE HE2 H 1 7.058 0.02 . 1 . . . . . 6 PHE HE2 . 7172 1 63 . 1 1 6 6 PHE CA C 13 53.842 0.065 . 1 . . . . . 6 PHE CA . 7172 1 64 . 1 1 6 6 PHE CB C 13 39.208 0.044 . 1 . . . . . 6 PHE CB . 7172 1 65 . 1 1 6 6 PHE CD1 C 13 130.809 0.02 . 1 . . . . . 6 PHE CD1 . 7172 1 66 . 1 1 6 6 PHE CD2 C 13 130.809 0.02 . 1 . . . . . 6 PHE CD2 . 7172 1 67 . 1 1 6 6 PHE CE1 C 13 130.852 0.02 . 1 . . . . . 6 PHE CE1 . 7172 1 68 . 1 1 6 6 PHE CE2 C 13 130.852 0.02 . 1 . . . . . 6 PHE CE2 . 7172 1 69 . 1 1 6 6 PHE N N 15 122.785 0.007 . 1 . . . . . 6 PHE N . 7172 1 70 . 1 1 7 7 PRO HA H 1 4.484 0.002 . 1 . . . . . 7 PRO HA . 7172 1 71 . 1 1 7 7 PRO HB2 H 1 2.172 0.005 . 2 . . . . . 7 PRO HB2 . 7172 1 72 . 1 1 7 7 PRO HB3 H 1 1.937 0.006 . 2 . . . . . 7 PRO HB3 . 7172 1 73 . 1 1 7 7 PRO HG2 H 1 1.976 0.009 . 1 . . . . . 7 PRO HG2 . 7172 1 74 . 1 1 7 7 PRO HG3 H 1 1.976 0.009 . 1 . . . . . 7 PRO HG3 . 7172 1 75 . 1 1 7 7 PRO HD2 H 1 3.899 0.003 . 2 . . . . . 7 PRO HD2 . 7172 1 76 . 1 1 7 7 PRO HD3 H 1 3.702 0.003 . 2 . . . . . 7 PRO HD3 . 7172 1 77 . 1 1 7 7 PRO CA C 13 62.612 0.006 . 1 . . . . . 7 PRO CA . 7172 1 78 . 1 1 7 7 PRO CB C 13 32.266 0.019 . 1 . . . . . 7 PRO CB . 7172 1 79 . 1 1 7 7 PRO CG C 13 27.432 0.007 . 1 . . . . . 7 PRO CG . 7172 1 80 . 1 1 7 7 PRO CD C 13 50.537 0.028 . 1 . . . . . 7 PRO CD . 7172 1 81 . 1 1 8 8 ILE HA H 1 4.766 0.02 . 1 . . . . . 8 ILE HA . 7172 1 82 . 1 1 8 8 ILE HB H 1 1.669 0.02 . 1 . . . . . 8 ILE HB . 7172 1 83 . 1 1 8 8 ILE HG12 H 1 1.703 0.006 . 2 . . . . . 8 ILE HG12 . 7172 1 84 . 1 1 8 8 ILE HG13 H 1 1.105 0.004 . 2 . . . . . 8 ILE HG13 . 7172 1 85 . 1 1 8 8 ILE HG21 H 1 0.943 0.025 . 1 . . . . . 8 ILE HG2 . 7172 1 86 . 1 1 8 8 ILE HG22 H 1 0.943 0.025 . 1 . . . . . 8 ILE HG2 . 7172 1 87 . 1 1 8 8 ILE HG23 H 1 0.943 0.025 . 1 . . . . . 8 ILE HG2 . 7172 1 88 . 1 1 8 8 ILE HD11 H 1 0.773 0.008 . 1 . . . . . 8 ILE HD1 . 7172 1 89 . 1 1 8 8 ILE HD12 H 1 0.773 0.008 . 1 . . . . . 8 ILE HD1 . 7172 1 90 . 1 1 8 8 ILE HD13 H 1 0.773 0.008 . 1 . . . . . 8 ILE HD1 . 7172 1 91 . 1 1 8 8 ILE C C 13 176.112 0.02 . 1 . . . . . 8 ILE C . 7172 1 92 . 1 1 8 8 ILE CA C 13 59.682 0.022 . 1 . . . . . 8 ILE CA . 7172 1 93 . 1 1 8 8 ILE CB C 13 40.645 0.224 . 1 . . . . . 8 ILE CB . 7172 1 94 . 1 1 8 8 ILE CG1 C 13 28.655 0.015 . 1 . . . . . 8 ILE CG1 . 7172 1 95 . 1 1 8 8 ILE CG2 C 13 17.518 0.002 . 1 . . . . . 8 ILE CG2 . 7172 1 96 . 1 1 8 8 ILE CD1 C 13 14.628 0.015 . 1 . . . . . 8 ILE CD1 . 7172 1 97 . 1 1 9 9 SER H H 1 8.944 0.005 . 1 . . . . . 9 SER H . 7172 1 98 . 1 1 9 9 SER HA H 1 4.396 0.002 . 1 . . . . . 9 SER HA . 7172 1 99 . 1 1 9 9 SER HB2 H 1 4.469 0.02 . 2 . . . . . 9 SER HB2 . 7172 1 100 . 1 1 9 9 SER HB3 H 1 4.117 0.001 . 2 . . . . . 9 SER HB3 . 7172 1 101 . 1 1 9 9 SER C C 13 174.605 0.02 . 1 . . . . . 9 SER C . 7172 1 102 . 1 1 9 9 SER CA C 13 58.34 0.046 . 1 . . . . . 9 SER CA . 7172 1 103 . 1 1 9 9 SER CB C 13 64.859 0.036 . 1 . . . . . 9 SER CB . 7172 1 104 . 1 1 9 9 SER N N 15 124.554 0.01 . 1 . . . . . 9 SER N . 7172 1 105 . 1 1 10 10 ARG H H 1 9.016 0.005 . 1 . . . . . 10 ARG H . 7172 1 106 . 1 1 10 10 ARG HA H 1 4.156 0.004 . 1 . . . . . 10 ARG HA . 7172 1 107 . 1 1 10 10 ARG HB2 H 1 1.911 0.005 . 1 . . . . . 10 ARG HB2 . 7172 1 108 . 1 1 10 10 ARG HB3 H 1 1.911 0.005 . 1 . . . . . 10 ARG HB3 . 7172 1 109 . 1 1 10 10 ARG HG2 H 1 1.776 0.007 . 2 . . . . . 10 ARG HG2 . 7172 1 110 . 1 1 10 10 ARG HG3 H 1 1.661 0.005 . 2 . . . . . 10 ARG HG3 . 7172 1 111 . 1 1 10 10 ARG HD2 H 1 3.223 0.02 . 1 . . . . . 10 ARG HD2 . 7172 1 112 . 1 1 10 10 ARG HD3 H 1 3.223 0.02 . 1 . . . . . 10 ARG HD3 . 7172 1 113 . 1 1 10 10 ARG HE H 1 7.178 0.008 . 1 . . . . . 10 ARG HE . 7172 1 114 . 1 1 10 10 ARG C C 13 179.012 0.02 . 1 . . . . . 10 ARG C . 7172 1 115 . 1 1 10 10 ARG CA C 13 59.708 0.013 . 1 . . . . . 10 ARG CA . 7172 1 116 . 1 1 10 10 ARG CB C 13 29.692 0.038 . 1 . . . . . 10 ARG CB . 7172 1 117 . 1 1 10 10 ARG CG C 13 26.888 0.03 . 1 . . . . . 10 ARG CG . 7172 1 118 . 1 1 10 10 ARG CD C 13 43.486 0.02 . 1 . . . . . 10 ARG CD . 7172 1 119 . 1 1 10 10 ARG N N 15 123.533 0.011 . 1 . . . . . 10 ARG N . 7172 1 120 . 1 1 10 10 ARG NE N 15 84.963 0.009 . 1 . . . . . 10 ARG NE . 7172 1 121 . 1 1 11 11 ASP H H 1 8.799 0.005 . 1 . . . . . 11 ASP H . 7172 1 122 . 1 1 11 11 ASP HA H 1 4.421 0.005 . 1 . . . . . 11 ASP HA . 7172 1 123 . 1 1 11 11 ASP HB2 H 1 2.642 0.002 . 1 . . . . . 11 ASP HB2 . 7172 1 124 . 1 1 11 11 ASP HB3 H 1 2.642 0.002 . 1 . . . . . 11 ASP HB3 . 7172 1 125 . 1 1 11 11 ASP C C 13 179.429 0.02 . 1 . . . . . 11 ASP C . 7172 1 126 . 1 1 11 11 ASP CA C 13 56.837 0.038 . 1 . . . . . 11 ASP CA . 7172 1 127 . 1 1 11 11 ASP CB C 13 39.636 0.028 . 1 . . . . . 11 ASP CB . 7172 1 128 . 1 1 11 11 ASP N N 15 117.123 0.027 . 1 . . . . . 11 ASP N . 7172 1 129 . 1 1 12 12 ALA H H 1 7.9 0.005 . 1 . . . . . 12 ALA H . 7172 1 130 . 1 1 12 12 ALA HA H 1 3.976 0.003 . 1 . . . . . 12 ALA HA . 7172 1 131 . 1 1 12 12 ALA HB1 H 1 1.34 0.004 . 1 . . . . . 12 ALA HB . 7172 1 132 . 1 1 12 12 ALA HB2 H 1 1.34 0.004 . 1 . . . . . 12 ALA HB . 7172 1 133 . 1 1 12 12 ALA HB3 H 1 1.34 0.004 . 1 . . . . . 12 ALA HB . 7172 1 134 . 1 1 12 12 ALA C C 13 178.148 0.02 . 1 . . . . . 12 ALA C . 7172 1 135 . 1 1 12 12 ALA CA C 13 55.55 0.057 . 1 . . . . . 12 ALA CA . 7172 1 136 . 1 1 12 12 ALA CB C 13 18.375 0.009 . 1 . . . . . 12 ALA CB . 7172 1 137 . 1 1 12 12 ALA N N 15 124.361 0.021 . 1 . . . . . 12 ALA N . 7172 1 138 . 1 1 13 13 PHE H H 1 8.634 0.005 . 1 . . . . . 13 PHE H . 7172 1 139 . 1 1 13 13 PHE HA H 1 3.799 0.002 . 1 . . . . . 13 PHE HA . 7172 1 140 . 1 1 13 13 PHE HB2 H 1 2.987 0.005 . 2 . . . . . 13 PHE HB2 . 7172 1 141 . 1 1 13 13 PHE HB3 H 1 3.259 0.007 . 2 . . . . . 13 PHE HB3 . 7172 1 142 . 1 1 13 13 PHE HD1 H 1 7.022 0.003 . 1 . . . . . 13 PHE HD1 . 7172 1 143 . 1 1 13 13 PHE HD2 H 1 7.022 0.003 . 1 . . . . . 13 PHE HD2 . 7172 1 144 . 1 1 13 13 PHE HE1 H 1 7.161 0.005 . 1 . . . . . 13 PHE HE1 . 7172 1 145 . 1 1 13 13 PHE HE2 H 1 7.161 0.005 . 1 . . . . . 13 PHE HE2 . 7172 1 146 . 1 1 13 13 PHE HZ H 1 7.136 0.02 . 1 . . . . . 13 PHE HZ . 7172 1 147 . 1 1 13 13 PHE C C 13 177.656 0.02 . 1 . . . . . 13 PHE C . 7172 1 148 . 1 1 13 13 PHE CA C 13 62.83 0.022 . 1 . . . . . 13 PHE CA . 7172 1 149 . 1 1 13 13 PHE CB C 13 39.487 0.034 . 1 . . . . . 13 PHE CB . 7172 1 150 . 1 1 13 13 PHE CD1 C 13 131.417 0.02 . 1 . . . . . 13 PHE CD1 . 7172 1 151 . 1 1 13 13 PHE CD2 C 13 131.417 0.02 . 1 . . . . . 13 PHE CD2 . 7172 1 152 . 1 1 13 13 PHE CE1 C 13 131.356 0.02 . 1 . . . . . 13 PHE CE1 . 7172 1 153 . 1 1 13 13 PHE CE2 C 13 131.356 0.02 . 1 . . . . . 13 PHE CE2 . 7172 1 154 . 1 1 13 13 PHE CZ C 13 130.109 0.02 . 1 . . . . . 13 PHE CZ . 7172 1 155 . 1 1 13 13 PHE N N 15 120.139 0.03 . 1 . . . . . 13 PHE N . 7172 1 156 . 1 1 14 14 GLN H H 1 8.628 0.005 . 1 . . . . . 14 GLN H . 7172 1 157 . 1 1 14 14 GLN HA H 1 4.135 0.004 . 1 . . . . . 14 GLN HA . 7172 1 158 . 1 1 14 14 GLN HB2 H 1 2.222 0.004 . 2 . . . . . 14 GLN HB2 . 7172 1 159 . 1 1 14 14 GLN HB3 H 1 2.076 0.006 . 2 . . . . . 14 GLN HB3 . 7172 1 160 . 1 1 14 14 GLN HG2 H 1 2.726 0.004 . 2 . . . . . 14 GLN HG2 . 7172 1 161 . 1 1 14 14 GLN HG3 H 1 2.447 0.005 . 2 . . . . . 14 GLN HG3 . 7172 1 162 . 1 1 14 14 GLN HE21 H 1 7.609 0.02 . 2 . . . . . 14 GLN HE21 . 7172 1 163 . 1 1 14 14 GLN HE22 H 1 6.868 0.02 . 2 . . . . . 14 GLN HE22 . 7172 1 164 . 1 1 14 14 GLN C C 13 178.842 0.02 . 1 . . . . . 14 GLN C . 7172 1 165 . 1 1 14 14 GLN CA C 13 58.854 0.049 . 1 . . . . . 14 GLN CA . 7172 1 166 . 1 1 14 14 GLN CB C 13 28.77 0.053 . 1 . . . . . 14 GLN CB . 7172 1 167 . 1 1 14 14 GLN CG C 13 34.995 0.006 . 1 . . . . . 14 GLN CG . 7172 1 168 . 1 1 14 14 GLN CD C 13 180.27 0.01 . 1 . . . . . 14 GLN CD . 7172 1 169 . 1 1 14 14 GLN N N 15 116.738 0.014 . 1 . . . . . 14 GLN N . 7172 1 170 . 1 1 14 14 GLN NE2 N 15 112.104 0.001 . 1 . . . . . 14 GLN NE2 . 7172 1 171 . 1 1 15 15 ALA H H 1 7.759 0.005 . 1 . . . . . 15 ALA H . 7172 1 172 . 1 1 15 15 ALA HA H 1 4.084 0.001 . 1 . . . . . 15 ALA HA . 7172 1 173 . 1 1 15 15 ALA HB1 H 1 1.461 0.008 . 1 . . . . . 15 ALA HB . 7172 1 174 . 1 1 15 15 ALA HB2 H 1 1.461 0.008 . 1 . . . . . 15 ALA HB . 7172 1 175 . 1 1 15 15 ALA HB3 H 1 1.461 0.008 . 1 . . . . . 15 ALA HB . 7172 1 176 . 1 1 15 15 ALA C C 13 179.128 0.02 . 1 . . . . . 15 ALA C . 7172 1 177 . 1 1 15 15 ALA CA C 13 55.222 0.024 . 1 . . . . . 15 ALA CA . 7172 1 178 . 1 1 15 15 ALA CB C 13 19.601 0.038 . 1 . . . . . 15 ALA CB . 7172 1 179 . 1 1 15 15 ALA N N 15 123.082 0.034 . 1 . . . . . 15 ALA N . 7172 1 180 . 1 1 16 16 LEU H H 1 7.863 0.004 . 1 . . . . . 16 LEU H . 7172 1 181 . 1 1 16 16 LEU HA H 1 3.661 0.003 . 1 . . . . . 16 LEU HA . 7172 1 182 . 1 1 16 16 LEU HB2 H 1 1.694 0.007 . 2 . . . . . 16 LEU HB2 . 7172 1 183 . 1 1 16 16 LEU HB3 H 1 0.678 0.008 . 2 . . . . . 16 LEU HB3 . 7172 1 184 . 1 1 16 16 LEU HG H 1 1.607 0.006 . 1 . . . . . 16 LEU HG . 7172 1 185 . 1 1 16 16 LEU HD11 H 1 0.377 0.005 . 2 . . . . . 16 LEU HD1 . 7172 1 186 . 1 1 16 16 LEU HD12 H 1 0.377 0.005 . 2 . . . . . 16 LEU HD1 . 7172 1 187 . 1 1 16 16 LEU HD13 H 1 0.377 0.005 . 2 . . . . . 16 LEU HD1 . 7172 1 188 . 1 1 16 16 LEU HD21 H 1 -0.011 0.006 . 2 . . . . . 16 LEU HD2 . 7172 1 189 . 1 1 16 16 LEU HD22 H 1 -0.011 0.006 . 2 . . . . . 16 LEU HD2 . 7172 1 190 . 1 1 16 16 LEU HD23 H 1 -0.011 0.006 . 2 . . . . . 16 LEU HD2 . 7172 1 191 . 1 1 16 16 LEU C C 13 178.723 0.02 . 1 . . . . . 16 LEU C . 7172 1 192 . 1 1 16 16 LEU CA C 13 57.713 0.008 . 1 . . . . . 16 LEU CA . 7172 1 193 . 1 1 16 16 LEU CB C 13 41.36 0.025 . 1 . . . . . 16 LEU CB . 7172 1 194 . 1 1 16 16 LEU CG C 13 26.276 0.003 . 1 . . . . . 16 LEU CG . 7172 1 195 . 1 1 16 16 LEU CD1 C 13 25.093 0.024 . 2 . . . . . 16 LEU CD1 . 7172 1 196 . 1 1 16 16 LEU CD2 C 13 22.184 0.02 . 2 . . . . . 16 LEU CD2 . 7172 1 197 . 1 1 16 16 LEU N N 15 118.99 0.012 . 1 . . . . . 16 LEU N . 7172 1 198 . 1 1 17 17 GLU H H 1 8.393 0.004 . 1 . . . . . 17 GLU H . 7172 1 199 . 1 1 17 17 GLU HA H 1 3.69 0.005 . 1 . . . . . 17 GLU HA . 7172 1 200 . 1 1 17 17 GLU HB2 H 1 2.062 0.016 . 2 . . . . . 17 GLU HB2 . 7172 1 201 . 1 1 17 17 GLU HB3 H 1 1.906 0.007 . 2 . . . . . 17 GLU HB3 . 7172 1 202 . 1 1 17 17 GLU HG2 H 1 1.932 0.008 . 2 . . . . . 17 GLU HG2 . 7172 1 203 . 1 1 17 17 GLU HG3 H 1 2.086 0.005 . 2 . . . . . 17 GLU HG3 . 7172 1 204 . 1 1 17 17 GLU C C 13 180.357 0.02 . 1 . . . . . 17 GLU C . 7172 1 205 . 1 1 17 17 GLU CA C 13 59.792 0.035 . 1 . . . . . 17 GLU CA . 7172 1 206 . 1 1 17 17 GLU CB C 13 29.474 0.028 . 1 . . . . . 17 GLU CB . 7172 1 207 . 1 1 17 17 GLU CG C 13 36.81 0.074 . 1 . . . . . 17 GLU CG . 7172 1 208 . 1 1 17 17 GLU N N 15 121.328 0.009 . 1 . . . . . 17 GLU N . 7172 1 209 . 1 1 18 18 LYS H H 1 8.085 0.005 . 1 . . . . . 18 LYS H . 7172 1 210 . 1 1 18 18 LYS HA H 1 3.902 0.001 . 1 . . . . . 18 LYS HA . 7172 1 211 . 1 1 18 18 LYS HB2 H 1 2.12 0.007 . 2 . . . . . 18 LYS HB2 . 7172 1 212 . 1 1 18 18 LYS HB3 H 1 1.579 0.012 . 2 . . . . . 18 LYS HB3 . 7172 1 213 . 1 1 18 18 LYS HG2 H 1 1.444 0.005 . 2 . . . . . 18 LYS HG2 . 7172 1 214 . 1 1 18 18 LYS HG3 H 1 1.75 0.004 . 2 . . . . . 18 LYS HG3 . 7172 1 215 . 1 1 18 18 LYS HD2 H 1 1.767 0.004 . 1 . . . . . 18 LYS HD2 . 7172 1 216 . 1 1 18 18 LYS HD3 H 1 1.767 0.004 . 1 . . . . . 18 LYS HD3 . 7172 1 217 . 1 1 18 18 LYS HE2 H 1 2.91 0.022 . 1 . . . . . 18 LYS HE2 . 7172 1 218 . 1 1 18 18 LYS HE3 H 1 2.91 0.022 . 1 . . . . . 18 LYS HE3 . 7172 1 219 . 1 1 18 18 LYS C C 13 179.826 0.02 . 1 . . . . . 18 LYS C . 7172 1 220 . 1 1 18 18 LYS CA C 13 60.62 0.022 . 1 . . . . . 18 LYS CA . 7172 1 221 . 1 1 18 18 LYS CB C 13 32.877 0.038 . 1 . . . . . 18 LYS CB . 7172 1 222 . 1 1 18 18 LYS CG C 13 26.356 0.031 . 1 . . . . . 18 LYS CG . 7172 1 223 . 1 1 18 18 LYS CD C 13 29.815 0.013 . 1 . . . . . 18 LYS CD . 7172 1 224 . 1 1 18 18 LYS CE C 13 42.327 0.02 . 1 . . . . . 18 LYS CE . 7172 1 225 . 1 1 18 18 LYS N N 15 121.167 0.017 . 1 . . . . . 18 LYS N . 7172 1 226 . 1 1 19 19 LEU H H 1 8.358 0.005 . 1 . . . . . 19 LEU H . 7172 1 227 . 1 1 19 19 LEU HA H 1 4.146 0.006 . 1 . . . . . 19 LEU HA . 7172 1 228 . 1 1 19 19 LEU HB2 H 1 1.279 0.006 . 2 . . . . . 19 LEU HB2 . 7172 1 229 . 1 1 19 19 LEU HB3 H 1 1.932 0.009 . 2 . . . . . 19 LEU HB3 . 7172 1 230 . 1 1 19 19 LEU HG H 1 1.478 0.004 . 1 . . . . . 19 LEU HG . 7172 1 231 . 1 1 19 19 LEU HD11 H 1 0.699 0.004 . 2 . . . . . 19 LEU HD1 . 7172 1 232 . 1 1 19 19 LEU HD12 H 1 0.699 0.004 . 2 . . . . . 19 LEU HD1 . 7172 1 233 . 1 1 19 19 LEU HD13 H 1 0.699 0.004 . 2 . . . . . 19 LEU HD1 . 7172 1 234 . 1 1 19 19 LEU HD21 H 1 0.736 0.002 . 2 . . . . . 19 LEU HD2 . 7172 1 235 . 1 1 19 19 LEU HD22 H 1 0.736 0.002 . 2 . . . . . 19 LEU HD2 . 7172 1 236 . 1 1 19 19 LEU HD23 H 1 0.736 0.002 . 2 . . . . . 19 LEU HD2 . 7172 1 237 . 1 1 19 19 LEU C C 13 180.147 0.02 . 1 . . . . . 19 LEU C . 7172 1 238 . 1 1 19 19 LEU CA C 13 58.686 0.024 . 1 . . . . . 19 LEU CA . 7172 1 239 . 1 1 19 19 LEU CB C 13 41.134 0.026 . 1 . . . . . 19 LEU CB . 7172 1 240 . 1 1 19 19 LEU CG C 13 27.083 0.015 . 1 . . . . . 19 LEU CG . 7172 1 241 . 1 1 19 19 LEU CD1 C 13 28.578 0.013 . 2 . . . . . 19 LEU CD1 . 7172 1 242 . 1 1 19 19 LEU CD2 C 13 24.612 0.022 . 2 . . . . . 19 LEU CD2 . 7172 1 243 . 1 1 19 19 LEU N N 15 123.62 0.018 . 1 . . . . . 19 LEU N . 7172 1 244 . 1 1 20 20 SER H H 1 8.428 0.004 . 1 . . . . . 20 SER H . 7172 1 245 . 1 1 20 20 SER HA H 1 4.179 0.001 . 1 . . . . . 20 SER HA . 7172 1 246 . 1 1 20 20 SER HB2 H 1 4.029 0.005 . 1 . . . . . 20 SER HB2 . 7172 1 247 . 1 1 20 20 SER HB3 H 1 4.029 0.005 . 1 . . . . . 20 SER HB3 . 7172 1 248 . 1 1 20 20 SER C C 13 175.182 0.02 . 1 . . . . . 20 SER C . 7172 1 249 . 1 1 20 20 SER CA C 13 61.72 0.063 . 1 . . . . . 20 SER CA . 7172 1 250 . 1 1 20 20 SER CB C 13 62.788 0.056 . 1 . . . . . 20 SER CB . 7172 1 251 . 1 1 20 20 SER N N 15 117.759 0.01 . 1 . . . . . 20 SER N . 7172 1 252 . 1 1 21 21 LYS H H 1 7.187 0.005 . 1 . . . . . 21 LYS H . 7172 1 253 . 1 1 21 21 LYS HA H 1 4.44 0.002 . 1 . . . . . 21 LYS HA . 7172 1 254 . 1 1 21 21 LYS HB2 H 1 2.165 0.005 . 2 . . . . . 21 LYS HB2 . 7172 1 255 . 1 1 21 21 LYS HB3 H 1 1.606 0.007 . 2 . . . . . 21 LYS HB3 . 7172 1 256 . 1 1 21 21 LYS HG2 H 1 1.514 0.001 . 2 . . . . . 21 LYS HG2 . 7172 1 257 . 1 1 21 21 LYS HG3 H 1 1.433 0.009 . 2 . . . . . 21 LYS HG3 . 7172 1 258 . 1 1 21 21 LYS HD2 H 1 1.618 0.01 . 2 . . . . . 21 LYS HD2 . 7172 1 259 . 1 1 21 21 LYS HD3 H 1 1.533 0.005 . 2 . . . . . 21 LYS HD3 . 7172 1 260 . 1 1 21 21 LYS HE2 H 1 2.884 0.006 . 1 . . . . . 21 LYS HE2 . 7172 1 261 . 1 1 21 21 LYS HE3 H 1 2.884 0.006 . 1 . . . . . 21 LYS HE3 . 7172 1 262 . 1 1 21 21 LYS C C 13 175.434 0.02 . 1 . . . . . 21 LYS C . 7172 1 263 . 1 1 21 21 LYS CA C 13 55.765 0.03 . 1 . . . . . 21 LYS CA . 7172 1 264 . 1 1 21 21 LYS CB C 13 32.918 0.02 . 1 . . . . . 21 LYS CB . 7172 1 265 . 1 1 21 21 LYS CG C 13 25.438 0.023 . 1 . . . . . 21 LYS CG . 7172 1 266 . 1 1 21 21 LYS CD C 13 29.113 0.018 . 1 . . . . . 21 LYS CD . 7172 1 267 . 1 1 21 21 LYS CE C 13 42.515 0.149 . 1 . . . . . 21 LYS CE . 7172 1 268 . 1 1 21 21 LYS N N 15 120.293 0.006 . 1 . . . . . 21 LYS N . 7172 1 269 . 1 1 22 22 LYS H H 1 8.413 0.006 . 1 . . . . . 22 LYS H . 7172 1 270 . 1 1 22 22 LYS HA H 1 3.933 0.004 . 1 . . . . . 22 LYS HA . 7172 1 271 . 1 1 22 22 LYS HB2 H 1 2.189 0.006 . 2 . . . . . 22 LYS HB2 . 7172 1 272 . 1 1 22 22 LYS HB3 H 1 1.954 0.008 . 2 . . . . . 22 LYS HB3 . 7172 1 273 . 1 1 22 22 LYS HG2 H 1 1.426 0.005 . 2 . . . . . 22 LYS HG2 . 7172 1 274 . 1 1 22 22 LYS HG3 H 1 1.313 0.008 . 2 . . . . . 22 LYS HG3 . 7172 1 275 . 1 1 22 22 LYS HD2 H 1 1.837 0.008 . 2 . . . . . 22 LYS HD2 . 7172 1 276 . 1 1 22 22 LYS HD3 H 1 1.694 0.007 . 2 . . . . . 22 LYS HD3 . 7172 1 277 . 1 1 22 22 LYS HE2 H 1 3.026 0.007 . 1 . . . . . 22 LYS HE2 . 7172 1 278 . 1 1 22 22 LYS HE3 H 1 3.026 0.007 . 1 . . . . . 22 LYS HE3 . 7172 1 279 . 1 1 22 22 LYS C C 13 176.002 0.02 . 1 . . . . . 22 LYS C . 7172 1 280 . 1 1 22 22 LYS CA C 13 58.236 0.009 . 1 . . . . . 22 LYS CA . 7172 1 281 . 1 1 22 22 LYS CB C 13 28.516 0.059 . 1 . . . . . 22 LYS CB . 7172 1 282 . 1 1 22 22 LYS CG C 13 25.891 0.026 . 1 . . . . . 22 LYS CG . 7172 1 283 . 1 1 22 22 LYS CD C 13 29.454 0.014 . 1 . . . . . 22 LYS CD . 7172 1 284 . 1 1 22 22 LYS CE C 13 42.571 0.01 . 1 . . . . . 22 LYS CE . 7172 1 285 . 1 1 22 22 LYS N N 15 115.833 0.021 . 1 . . . . . 22 LYS N . 7172 1 286 . 1 1 23 23 GLN H H 1 8.515 0.006 . 1 . . . . . 23 GLN H . 7172 1 287 . 1 1 23 23 GLN HA H 1 4.272 0.004 . 1 . . . . . 23 GLN HA . 7172 1 288 . 1 1 23 23 GLN HB2 H 1 2.177 0.005 . 2 . . . . . 23 GLN HB2 . 7172 1 289 . 1 1 23 23 GLN HB3 H 1 1.784 0.01 . 2 . . . . . 23 GLN HB3 . 7172 1 290 . 1 1 23 23 GLN HG2 H 1 2.312 0.006 . 2 . . . . . 23 GLN HG2 . 7172 1 291 . 1 1 23 23 GLN HG3 H 1 2.389 0.001 . 2 . . . . . 23 GLN HG3 . 7172 1 292 . 1 1 23 23 GLN HE21 H 1 7.44 0.02 . 2 . . . . . 23 GLN HE21 . 7172 1 293 . 1 1 23 23 GLN HE22 H 1 6.77 0.02 . 2 . . . . . 23 GLN HE22 . 7172 1 294 . 1 1 23 23 GLN C C 13 175.994 0.02 . 1 . . . . . 23 GLN C . 7172 1 295 . 1 1 23 23 GLN CA C 13 56.267 0.024 . 1 . . . . . 23 GLN CA . 7172 1 296 . 1 1 23 23 GLN CB C 13 29.316 0.048 . 1 . . . . . 23 GLN CB . 7172 1 297 . 1 1 23 23 GLN CG C 13 34.172 0.018 . 1 . . . . . 23 GLN CG . 7172 1 298 . 1 1 23 23 GLN CD C 13 179.52 0.02 . 1 . . . . . 23 GLN CD . 7172 1 299 . 1 1 23 23 GLN N N 15 117.002 0.028 . 1 . . . . . 23 GLN N . 7172 1 300 . 1 1 23 23 GLN NE2 N 15 111.049 0.001 . 1 . . . . . 23 GLN NE2 . 7172 1 301 . 1 1 24 24 LEU H H 1 7.311 0.006 . 1 . . . . . 24 LEU H . 7172 1 302 . 1 1 24 24 LEU HA H 1 4.536 0.003 . 1 . . . . . 24 LEU HA . 7172 1 303 . 1 1 24 24 LEU HB2 H 1 1.176 0.009 . 2 . . . . . 24 LEU HB2 . 7172 1 304 . 1 1 24 24 LEU HB3 H 1 1.692 0.011 . 2 . . . . . 24 LEU HB3 . 7172 1 305 . 1 1 24 24 LEU HG H 1 1.45 0.009 . 1 . . . . . 24 LEU HG . 7172 1 306 . 1 1 24 24 LEU HD11 H 1 1.044 0.005 . 2 . . . . . 24 LEU HD1 . 7172 1 307 . 1 1 24 24 LEU HD12 H 1 1.044 0.005 . 2 . . . . . 24 LEU HD1 . 7172 1 308 . 1 1 24 24 LEU HD13 H 1 1.044 0.005 . 2 . . . . . 24 LEU HD1 . 7172 1 309 . 1 1 24 24 LEU HD21 H 1 1.195 0.007 . 2 . . . . . 24 LEU HD2 . 7172 1 310 . 1 1 24 24 LEU HD22 H 1 1.195 0.007 . 2 . . . . . 24 LEU HD2 . 7172 1 311 . 1 1 24 24 LEU HD23 H 1 1.195 0.007 . 2 . . . . . 24 LEU HD2 . 7172 1 312 . 1 1 24 24 LEU C C 13 174.888 0.02 . 1 . . . . . 24 LEU C . 7172 1 313 . 1 1 24 24 LEU CA C 13 53.587 0.029 . 1 . . . . . 24 LEU CA . 7172 1 314 . 1 1 24 24 LEU CB C 13 46.978 0.037 . 1 . . . . . 24 LEU CB . 7172 1 315 . 1 1 24 24 LEU CG C 13 27.517 0.029 . 1 . . . . . 24 LEU CG . 7172 1 316 . 1 1 24 24 LEU CD1 C 13 26.598 0.004 . 2 . . . . . 24 LEU CD1 . 7172 1 317 . 1 1 24 24 LEU CD2 C 13 23.321 0.026 . 2 . . . . . 24 LEU CD2 . 7172 1 318 . 1 1 24 24 LEU N N 15 117.339 0.028 . 1 . . . . . 24 LEU N . 7172 1 319 . 1 1 25 25 ASN H H 1 7.895 0.005 . 1 . . . . . 25 ASN H . 7172 1 320 . 1 1 25 25 ASN HA H 1 4.829 0.003 . 1 . . . . . 25 ASN HA . 7172 1 321 . 1 1 25 25 ASN HB2 H 1 3.582 0.007 . 2 . . . . . 25 ASN HB2 . 7172 1 322 . 1 1 25 25 ASN HB3 H 1 2.679 0.006 . 2 . . . . . 25 ASN HB3 . 7172 1 323 . 1 1 25 25 ASN HD21 H 1 6.915 0.02 . 2 . . . . . 25 ASN HD21 . 7172 1 324 . 1 1 25 25 ASN HD22 H 1 7.302 0.02 . 2 . . . . . 25 ASN HD22 . 7172 1 325 . 1 1 25 25 ASN C C 13 174.292 0.02 . 1 . . . . . 25 ASN C . 7172 1 326 . 1 1 25 25 ASN CA C 13 51.828 0.056 . 1 . . . . . 25 ASN CA . 7172 1 327 . 1 1 25 25 ASN CB C 13 40.271 0.01 . 1 . . . . . 25 ASN CB . 7172 1 328 . 1 1 25 25 ASN CG C 13 177.46 0.03 . 1 . . . . . 25 ASN CG . 7172 1 329 . 1 1 25 25 ASN N N 15 111.511 0.009 . 1 . . . . . 25 ASN N . 7172 1 330 . 1 1 25 25 ASN ND2 N 15 112.528 0.003 . 1 . . . . . 25 ASN ND2 . 7172 1 331 . 1 1 26 26 TYR H H 1 7.666 0.005 . 1 . . . . . 26 TYR H . 7172 1 332 . 1 1 26 26 TYR HA H 1 5.487 0.006 . 1 . . . . . 26 TYR HA . 7172 1 333 . 1 1 26 26 TYR HB2 H 1 3.562 0.001 . 2 . . . . . 26 TYR HB2 . 7172 1 334 . 1 1 26 26 TYR HB3 H 1 3.139 0.002 . 2 . . . . . 26 TYR HB3 . 7172 1 335 . 1 1 26 26 TYR HD1 H 1 7.098 0.186 . 1 . . . . . 26 TYR HD1 . 7172 1 336 . 1 1 26 26 TYR HD2 H 1 7.098 0.186 . 1 . . . . . 26 TYR HD2 . 7172 1 337 . 1 1 26 26 TYR C C 13 172.777 0.02 . 1 . . . . . 26 TYR C . 7172 1 338 . 1 1 26 26 TYR CA C 13 58.647 0.034 . 1 . . . . . 26 TYR CA . 7172 1 339 . 1 1 26 26 TYR CB C 13 40.568 0.018 . 1 . . . . . 26 TYR CB . 7172 1 340 . 1 1 26 26 TYR CD1 C 13 133.397 0.02 . 1 . . . . . 26 TYR CD1 . 7172 1 341 . 1 1 26 26 TYR CD2 C 13 133.397 0.02 . 1 . . . . . 26 TYR CD2 . 7172 1 342 . 1 1 26 26 TYR N N 15 121.218 0.037 . 1 . . . . . 26 TYR N . 7172 1 343 . 1 1 27 27 VAL H H 1 8.292 0.006 . 1 . . . . . 27 VAL H . 7172 1 344 . 1 1 27 27 VAL HA H 1 4.181 0.002 . 1 . . . . . 27 VAL HA . 7172 1 345 . 1 1 27 27 VAL HB H 1 1.738 0.009 . 1 . . . . . 27 VAL HB . 7172 1 346 . 1 1 27 27 VAL HG11 H 1 0.765 0.008 . 2 . . . . . 27 VAL HG1 . 7172 1 347 . 1 1 27 27 VAL HG12 H 1 0.765 0.008 . 2 . . . . . 27 VAL HG1 . 7172 1 348 . 1 1 27 27 VAL HG13 H 1 0.765 0.008 . 2 . . . . . 27 VAL HG1 . 7172 1 349 . 1 1 27 27 VAL HG21 H 1 0.672 0.005 . 2 . . . . . 27 VAL HG2 . 7172 1 350 . 1 1 27 27 VAL HG22 H 1 0.672 0.005 . 2 . . . . . 27 VAL HG2 . 7172 1 351 . 1 1 27 27 VAL HG23 H 1 0.672 0.005 . 2 . . . . . 27 VAL HG2 . 7172 1 352 . 1 1 27 27 VAL C C 13 172.974 0.02 . 1 . . . . . 27 VAL C . 7172 1 353 . 1 1 27 27 VAL CA C 13 61.395 0.064 . 1 . . . . . 27 VAL CA . 7172 1 354 . 1 1 27 27 VAL CB C 13 37.342 0.043 . 1 . . . . . 27 VAL CB . 7172 1 355 . 1 1 27 27 VAL CG1 C 13 23.706 0.035 . 2 . . . . . 27 VAL CG1 . 7172 1 356 . 1 1 27 27 VAL CG2 C 13 21.974 0.001 . 2 . . . . . 27 VAL CG2 . 7172 1 357 . 1 1 27 27 VAL N N 15 123.343 0.012 . 1 . . . . . 27 VAL N . 7172 1 358 . 1 1 28 28 GLN H H 1 8.944 0.005 . 1 . . . . . 28 GLN H . 7172 1 359 . 1 1 28 28 GLN HA H 1 5.151 0.007 . 1 . . . . . 28 GLN HA . 7172 1 360 . 1 1 28 28 GLN HB2 H 1 2.5 0.002 . 2 . . . . . 28 GLN HB2 . 7172 1 361 . 1 1 28 28 GLN HB3 H 1 2.149 0.012 . 2 . . . . . 28 GLN HB3 . 7172 1 362 . 1 1 28 28 GLN HG2 H 1 2.414 0.001 . 2 . . . . . 28 GLN HG2 . 7172 1 363 . 1 1 28 28 GLN HG3 H 1 1.747 0.01 . 2 . . . . . 28 GLN HG3 . 7172 1 364 . 1 1 28 28 GLN HE21 H 1 8.702 0.02 . 2 . . . . . 28 GLN HE21 . 7172 1 365 . 1 1 28 28 GLN HE22 H 1 7.091 0.02 . 2 . . . . . 28 GLN HE22 . 7172 1 366 . 1 1 28 28 GLN C C 13 175.167 0.02 . 1 . . . . . 28 GLN C . 7172 1 367 . 1 1 28 28 GLN CA C 13 53.845 0.057 . 1 . . . . . 28 GLN CA . 7172 1 368 . 1 1 28 28 GLN CB C 13 33.508 0.009 . 1 . . . . . 28 GLN CB . 7172 1 369 . 1 1 28 28 GLN CG C 13 37.048 0.011 . 1 . . . . . 28 GLN CG . 7172 1 370 . 1 1 28 28 GLN CD C 13 178.848 0.01 . 1 . . . . . 28 GLN CD . 7172 1 371 . 1 1 28 28 GLN N N 15 127.798 0.006 . 1 . . . . . 28 GLN N . 7172 1 372 . 1 1 28 28 GLN NE2 N 15 111.062 0.001 . 1 . . . . . 28 GLN NE2 . 7172 1 373 . 1 1 29 29 LEU H H 1 9.22 0.008 . 1 . . . . . 29 LEU H . 7172 1 374 . 1 1 29 29 LEU HA H 1 5.415 0.001 . 1 . . . . . 29 LEU HA . 7172 1 375 . 1 1 29 29 LEU HB2 H 1 1.958 0.009 . 2 . . . . . 29 LEU HB2 . 7172 1 376 . 1 1 29 29 LEU HB3 H 1 1.755 0.009 . 2 . . . . . 29 LEU HB3 . 7172 1 377 . 1 1 29 29 LEU HG H 1 1.686 0.008 . 1 . . . . . 29 LEU HG . 7172 1 378 . 1 1 29 29 LEU HD11 H 1 1.025 0.005 . 2 . . . . . 29 LEU HD1 . 7172 1 379 . 1 1 29 29 LEU HD12 H 1 1.025 0.005 . 2 . . . . . 29 LEU HD1 . 7172 1 380 . 1 1 29 29 LEU HD13 H 1 1.025 0.005 . 2 . . . . . 29 LEU HD1 . 7172 1 381 . 1 1 29 29 LEU HD21 H 1 0.852 0.004 . 2 . . . . . 29 LEU HD2 . 7172 1 382 . 1 1 29 29 LEU HD22 H 1 0.852 0.004 . 2 . . . . . 29 LEU HD2 . 7172 1 383 . 1 1 29 29 LEU HD23 H 1 0.852 0.004 . 2 . . . . . 29 LEU HD2 . 7172 1 384 . 1 1 29 29 LEU C C 13 173.88 0.02 . 1 . . . . . 29 LEU C . 7172 1 385 . 1 1 29 29 LEU CA C 13 53.392 0.086 . 1 . . . . . 29 LEU CA . 7172 1 386 . 1 1 29 29 LEU CB C 13 45.458 0.019 . 1 . . . . . 29 LEU CB . 7172 1 387 . 1 1 29 29 LEU CG C 13 27.273 0.022 . 1 . . . . . 29 LEU CG . 7172 1 388 . 1 1 29 29 LEU CD1 C 13 27.697 0.022 . 2 . . . . . 29 LEU CD1 . 7172 1 389 . 1 1 29 29 LEU CD2 C 13 24.911 0.013 . 2 . . . . . 29 LEU CD2 . 7172 1 390 . 1 1 29 29 LEU N N 15 127.589 0.011 . 1 . . . . . 29 LEU N . 7172 1 391 . 1 1 30 30 GLU H H 1 8.67 0.001 . 1 . . . . . 30 GLU H . 7172 1 392 . 1 1 30 30 GLU HA H 1 5.057 0.004 . 1 . . . . . 30 GLU HA . 7172 1 393 . 1 1 30 30 GLU HB2 H 1 2.005 0.006 . 2 . . . . . 30 GLU HB2 . 7172 1 394 . 1 1 30 30 GLU HB3 H 1 1.709 0.008 . 2 . . . . . 30 GLU HB3 . 7172 1 395 . 1 1 30 30 GLU HG2 H 1 2.021 0.007 . 2 . . . . . 30 GLU HG2 . 7172 1 396 . 1 1 30 30 GLU HG3 H 1 1.894 0.004 . 2 . . . . . 30 GLU HG3 . 7172 1 397 . 1 1 30 30 GLU C C 13 173.673 0.02 . 1 . . . . . 30 GLU C . 7172 1 398 . 1 1 30 30 GLU CA C 13 53.228 0.033 . 1 . . . . . 30 GLU CA . 7172 1 399 . 1 1 30 30 GLU CB C 13 35.455 0.057 . 1 . . . . . 30 GLU CB . 7172 1 400 . 1 1 30 30 GLU CG C 13 35.801 0.045 . 1 . . . . . 30 GLU CG . 7172 1 401 . 1 1 30 30 GLU N N 15 120.796 0.027 . 1 . . . . . 30 GLU N . 7172 1 402 . 1 1 31 31 ILE H H 1 8.43 0.006 . 1 . . . . . 31 ILE H . 7172 1 403 . 1 1 31 31 ILE HA H 1 4.216 0.001 . 1 . . . . . 31 ILE HA . 7172 1 404 . 1 1 31 31 ILE HB H 1 1.15 0.006 . 1 . . . . . 31 ILE HB . 7172 1 405 . 1 1 31 31 ILE HG12 H 1 0.925 0.007 . 2 . . . . . 31 ILE HG12 . 7172 1 406 . 1 1 31 31 ILE HG13 H 1 0.484 0.01 . 2 . . . . . 31 ILE HG13 . 7172 1 407 . 1 1 31 31 ILE HG21 H 1 0.528 0.01 . 1 . . . . . 31 ILE HG2 . 7172 1 408 . 1 1 31 31 ILE HG22 H 1 0.528 0.01 . 1 . . . . . 31 ILE HG2 . 7172 1 409 . 1 1 31 31 ILE HG23 H 1 0.528 0.01 . 1 . . . . . 31 ILE HG2 . 7172 1 410 . 1 1 31 31 ILE HD11 H 1 -0.137 0.006 . 1 . . . . . 31 ILE HD1 . 7172 1 411 . 1 1 31 31 ILE HD12 H 1 -0.137 0.006 . 1 . . . . . 31 ILE HD1 . 7172 1 412 . 1 1 31 31 ILE HD13 H 1 -0.137 0.006 . 1 . . . . . 31 ILE HD1 . 7172 1 413 . 1 1 31 31 ILE C C 13 175.264 0.02 . 1 . . . . . 31 ILE C . 7172 1 414 . 1 1 31 31 ILE CA C 13 61.438 0.043 . 1 . . . . . 31 ILE CA . 7172 1 415 . 1 1 31 31 ILE CB C 13 38.9 0.039 . 1 . . . . . 31 ILE CB . 7172 1 416 . 1 1 31 31 ILE CG1 C 13 28.66 0.03 . 1 . . . . . 31 ILE CG1 . 7172 1 417 . 1 1 31 31 ILE CG2 C 13 17.48 0.02 . 1 . . . . . 31 ILE CG2 . 7172 1 418 . 1 1 31 31 ILE CD1 C 13 12.686 0.021 . 1 . . . . . 31 ILE CD1 . 7172 1 419 . 1 1 31 31 ILE N N 15 122.158 0.021 . 1 . . . . . 31 ILE N . 7172 1 420 . 1 1 32 32 ASP H H 1 8.969 0.005 . 1 . . . . . 32 ASP H . 7172 1 421 . 1 1 32 32 ASP HA H 1 4.709 0.005 . 1 . . . . . 32 ASP HA . 7172 1 422 . 1 1 32 32 ASP HB2 H 1 2.424 0.008 . 2 . . . . . 32 ASP HB2 . 7172 1 423 . 1 1 32 32 ASP HB3 H 1 3.124 0.009 . 2 . . . . . 32 ASP HB3 . 7172 1 424 . 1 1 32 32 ASP C C 13 176.753 0.02 . 1 . . . . . 32 ASP C . 7172 1 425 . 1 1 32 32 ASP CA C 13 52.697 0.028 . 1 . . . . . 32 ASP CA . 7172 1 426 . 1 1 32 32 ASP CB C 13 40.978 0.027 . 1 . . . . . 32 ASP CB . 7172 1 427 . 1 1 32 32 ASP N N 15 129.315 0.014 . 1 . . . . . 32 ASP N . 7172 1 428 . 1 1 33 33 ILE H H 1 8.26 0.005 . 1 . . . . . 33 ILE H . 7172 1 429 . 1 1 33 33 ILE HA H 1 3.599 0.004 . 1 . . . . . 33 ILE HA . 7172 1 430 . 1 1 33 33 ILE HB H 1 1.91 0.006 . 1 . . . . . 33 ILE HB . 7172 1 431 . 1 1 33 33 ILE HG12 H 1 1.669 0.005 . 2 . . . . . 33 ILE HG12 . 7172 1 432 . 1 1 33 33 ILE HG13 H 1 1.257 0.004 . 2 . . . . . 33 ILE HG13 . 7172 1 433 . 1 1 33 33 ILE HG21 H 1 0.922 0.003 . 1 . . . . . 33 ILE HG2 . 7172 1 434 . 1 1 33 33 ILE HG22 H 1 0.922 0.003 . 1 . . . . . 33 ILE HG2 . 7172 1 435 . 1 1 33 33 ILE HG23 H 1 0.922 0.003 . 1 . . . . . 33 ILE HG2 . 7172 1 436 . 1 1 33 33 ILE HD11 H 1 0.931 0.003 . 1 . . . . . 33 ILE HD1 . 7172 1 437 . 1 1 33 33 ILE HD12 H 1 0.931 0.003 . 1 . . . . . 33 ILE HD1 . 7172 1 438 . 1 1 33 33 ILE HD13 H 1 0.931 0.003 . 1 . . . . . 33 ILE HD1 . 7172 1 439 . 1 1 33 33 ILE C C 13 177.385 0.02 . 1 . . . . . 33 ILE C . 7172 1 440 . 1 1 33 33 ILE CA C 13 64.197 0.042 . 1 . . . . . 33 ILE CA . 7172 1 441 . 1 1 33 33 ILE CB C 13 37.932 0.057 . 1 . . . . . 33 ILE CB . 7172 1 442 . 1 1 33 33 ILE CG1 C 13 28.287 0.004 . 1 . . . . . 33 ILE CG1 . 7172 1 443 . 1 1 33 33 ILE CG2 C 13 17.499 0.002 . 1 . . . . . 33 ILE CG2 . 7172 1 444 . 1 1 33 33 ILE CD1 C 13 13.263 0.037 . 1 . . . . . 33 ILE CD1 . 7172 1 445 . 1 1 33 33 ILE N N 15 125.612 0.02 . 1 . . . . . 33 ILE N . 7172 1 446 . 1 1 34 34 LYS H H 1 8.131 0.004 . 1 . . . . . 34 LYS H . 7172 1 447 . 1 1 34 34 LYS HA H 1 4.083 0.003 . 1 . . . . . 34 LYS HA . 7172 1 448 . 1 1 34 34 LYS HB2 H 1 1.875 0.007 . 2 . . . . . 34 LYS HB2 . 7172 1 449 . 1 1 34 34 LYS HB3 H 1 1.798 0.014 . 2 . . . . . 34 LYS HB3 . 7172 1 450 . 1 1 34 34 LYS HG2 H 1 1.417 0.006 . 2 . . . . . 34 LYS HG2 . 7172 1 451 . 1 1 34 34 LYS HG3 H 1 1.339 0.009 . 2 . . . . . 34 LYS HG3 . 7172 1 452 . 1 1 34 34 LYS HD2 H 1 1.664 0.009 . 1 . . . . . 34 LYS HD2 . 7172 1 453 . 1 1 34 34 LYS HD3 H 1 1.664 0.009 . 1 . . . . . 34 LYS HD3 . 7172 1 454 . 1 1 34 34 LYS HE2 H 1 2.978 0.003 . 1 . . . . . 34 LYS HE2 . 7172 1 455 . 1 1 34 34 LYS HE3 H 1 2.978 0.003 . 1 . . . . . 34 LYS HE3 . 7172 1 456 . 1 1 34 34 LYS C C 13 177.953 0.02 . 1 . . . . . 34 LYS C . 7172 1 457 . 1 1 34 34 LYS CA C 13 58.841 0.053 . 1 . . . . . 34 LYS CA . 7172 1 458 . 1 1 34 34 LYS CB C 13 32.402 0.036 . 1 . . . . . 34 LYS CB . 7172 1 459 . 1 1 34 34 LYS CG C 13 24.888 0.024 . 1 . . . . . 34 LYS CG . 7172 1 460 . 1 1 34 34 LYS CD C 13 29.051 0.038 . 1 . . . . . 34 LYS CD . 7172 1 461 . 1 1 34 34 LYS CE C 13 42.297 0.026 . 1 . . . . . 34 LYS CE . 7172 1 462 . 1 1 34 34 LYS N N 15 120.571 0.013 . 1 . . . . . 34 LYS N . 7172 1 463 . 1 1 35 35 ASN H H 1 7.583 0.007 . 1 . . . . . 35 ASN H . 7172 1 464 . 1 1 35 35 ASN HA H 1 4.671 0.002 . 1 . . . . . 35 ASN HA . 7172 1 465 . 1 1 35 35 ASN HB2 H 1 2.278 0.007 . 2 . . . . . 35 ASN HB2 . 7172 1 466 . 1 1 35 35 ASN HB3 H 1 2.683 0.006 . 2 . . . . . 35 ASN HB3 . 7172 1 467 . 1 1 35 35 ASN HD21 H 1 8.71 0.02 . 2 . . . . . 35 ASN HD21 . 7172 1 468 . 1 1 35 35 ASN HD22 H 1 6.878 0.02 . 2 . . . . . 35 ASN HD22 . 7172 1 469 . 1 1 35 35 ASN C C 13 173.871 0.02 . 1 . . . . . 35 ASN C . 7172 1 470 . 1 1 35 35 ASN CA C 13 52.938 0.052 . 1 . . . . . 35 ASN CA . 7172 1 471 . 1 1 35 35 ASN CB C 13 39.144 0.023 . 1 . . . . . 35 ASN CB . 7172 1 472 . 1 1 35 35 ASN CG C 13 177.086 0.01 . 1 . . . . . 35 ASN CG . 7172 1 473 . 1 1 35 35 ASN N N 15 113.84 0.035 . 1 . . . . . 35 ASN N . 7172 1 474 . 1 1 35 35 ASN ND2 N 15 117.888 0.003 . 1 . . . . . 35 ASN ND2 . 7172 1 475 . 1 1 36 36 GLU H H 1 7.893 0.005 . 1 . . . . . 36 GLU H . 7172 1 476 . 1 1 36 36 GLU HA H 1 2.959 0.004 . 1 . . . . . 36 GLU HA . 7172 1 477 . 1 1 36 36 GLU HB2 H 1 1.814 0.004 . 2 . . . . . 36 GLU HB2 . 7172 1 478 . 1 1 36 36 GLU HB3 H 1 1.192 0.008 . 2 . . . . . 36 GLU HB3 . 7172 1 479 . 1 1 36 36 GLU HG2 H 1 1.992 0.001 . 2 . . . . . 36 GLU HG2 . 7172 1 480 . 1 1 36 36 GLU HG3 H 1 1.791 0.006 . 2 . . . . . 36 GLU HG3 . 7172 1 481 . 1 1 36 36 GLU C C 13 173.306 0.02 . 1 . . . . . 36 GLU C . 7172 1 482 . 1 1 36 36 GLU CA C 13 57.379 0.044 . 1 . . . . . 36 GLU CA . 7172 1 483 . 1 1 36 36 GLU CB C 13 26.367 0.046 . 1 . . . . . 36 GLU CB . 7172 1 484 . 1 1 36 36 GLU CG C 13 37.114 0.025 . 1 . . . . . 36 GLU CG . 7172 1 485 . 1 1 36 36 GLU N N 15 120.346 0.02 . 1 . . . . . 36 GLU N . 7172 1 486 . 1 1 37 37 THR H H 1 7.286 0.005 . 1 . . . . . 37 THR H . 7172 1 487 . 1 1 37 37 THR HA H 1 4.673 0.02 . 1 . . . . . 37 THR HA . 7172 1 488 . 1 1 37 37 THR HB H 1 3.714 0.006 . 1 . . . . . 37 THR HB . 7172 1 489 . 1 1 37 37 THR HG21 H 1 0.975 0.029 . 1 . . . . . 37 THR HG2 . 7172 1 490 . 1 1 37 37 THR HG22 H 1 0.975 0.029 . 1 . . . . . 37 THR HG2 . 7172 1 491 . 1 1 37 37 THR HG23 H 1 0.975 0.029 . 1 . . . . . 37 THR HG2 . 7172 1 492 . 1 1 37 37 THR C C 13 172.268 0.02 . 1 . . . . . 37 THR C . 7172 1 493 . 1 1 37 37 THR CA C 13 60.606 0.035 . 1 . . . . . 37 THR CA . 7172 1 494 . 1 1 37 37 THR CB C 13 72.524 0.084 . 1 . . . . . 37 THR CB . 7172 1 495 . 1 1 37 37 THR CG2 C 13 21.232 0.01 . 1 . . . . . 37 THR CG2 . 7172 1 496 . 1 1 37 37 THR N N 15 109.757 0.008 . 1 . . . . . 37 THR N . 7172 1 497 . 1 1 38 38 ILE H H 1 8.896 0.005 . 1 . . . . . 38 ILE H . 7172 1 498 . 1 1 38 38 ILE HA H 1 4.578 0.002 . 1 . . . . . 38 ILE HA . 7172 1 499 . 1 1 38 38 ILE HB H 1 1.867 0.009 . 1 . . . . . 38 ILE HB . 7172 1 500 . 1 1 38 38 ILE HG12 H 1 1 0.007 . 2 . . . . . 38 ILE HG12 . 7172 1 501 . 1 1 38 38 ILE HG13 H 1 1.747 0.007 . 2 . . . . . 38 ILE HG13 . 7172 1 502 . 1 1 38 38 ILE HG21 H 1 0.94 0.002 . 1 . . . . . 38 ILE HG2 . 7172 1 503 . 1 1 38 38 ILE HG22 H 1 0.94 0.002 . 1 . . . . . 38 ILE HG2 . 7172 1 504 . 1 1 38 38 ILE HG23 H 1 0.94 0.002 . 1 . . . . . 38 ILE HG2 . 7172 1 505 . 1 1 38 38 ILE HD11 H 1 0.906 0.007 . 1 . . . . . 38 ILE HD1 . 7172 1 506 . 1 1 38 38 ILE HD12 H 1 0.906 0.007 . 1 . . . . . 38 ILE HD1 . 7172 1 507 . 1 1 38 38 ILE HD13 H 1 0.906 0.007 . 1 . . . . . 38 ILE HD1 . 7172 1 508 . 1 1 38 38 ILE C C 13 174.478 0.02 . 1 . . . . . 38 ILE C . 7172 1 509 . 1 1 38 38 ILE CA C 13 62.147 0.017 . 1 . . . . . 38 ILE CA . 7172 1 510 . 1 1 38 38 ILE CB C 13 38.097 0.11 . 1 . . . . . 38 ILE CB . 7172 1 511 . 1 1 38 38 ILE CG1 C 13 28.898 0.01 . 1 . . . . . 38 ILE CG1 . 7172 1 512 . 1 1 38 38 ILE CG2 C 13 19.23 0.006 . 1 . . . . . 38 ILE CG2 . 7172 1 513 . 1 1 38 38 ILE CD1 C 13 14.004 0.005 . 1 . . . . . 38 ILE CD1 . 7172 1 514 . 1 1 38 38 ILE N N 15 126.099 0.011 . 1 . . . . . 38 ILE N . 7172 1 515 . 1 1 39 39 ILE H H 1 9.266 0.006 . 1 . . . . . 39 ILE H . 7172 1 516 . 1 1 39 39 ILE HA H 1 4.947 0.002 . 1 . . . . . 39 ILE HA . 7172 1 517 . 1 1 39 39 ILE HB H 1 2.098 0.006 . 1 . . . . . 39 ILE HB . 7172 1 518 . 1 1 39 39 ILE HG12 H 1 1.196 0.006 . 2 . . . . . 39 ILE HG12 . 7172 1 519 . 1 1 39 39 ILE HG13 H 1 0.964 0.002 . 2 . . . . . 39 ILE HG13 . 7172 1 520 . 1 1 39 39 ILE HG21 H 1 0.954 0.008 . 1 . . . . . 39 ILE HG2 . 7172 1 521 . 1 1 39 39 ILE HG22 H 1 0.954 0.008 . 1 . . . . . 39 ILE HG2 . 7172 1 522 . 1 1 39 39 ILE HG23 H 1 0.954 0.008 . 1 . . . . . 39 ILE HG2 . 7172 1 523 . 1 1 39 39 ILE HD11 H 1 0.834 0.005 . 1 . . . . . 39 ILE HD1 . 7172 1 524 . 1 1 39 39 ILE HD12 H 1 0.834 0.005 . 1 . . . . . 39 ILE HD1 . 7172 1 525 . 1 1 39 39 ILE HD13 H 1 0.834 0.005 . 1 . . . . . 39 ILE HD1 . 7172 1 526 . 1 1 39 39 ILE C C 13 174.781 0.02 . 1 . . . . . 39 ILE C . 7172 1 527 . 1 1 39 39 ILE CA C 13 59.591 0.046 . 1 . . . . . 39 ILE CA . 7172 1 528 . 1 1 39 39 ILE CB C 13 41.756 0.072 . 1 . . . . . 39 ILE CB . 7172 1 529 . 1 1 39 39 ILE CG1 C 13 26.508 0.012 . 1 . . . . . 39 ILE CG1 . 7172 1 530 . 1 1 39 39 ILE CG2 C 13 18.9 0.005 . 1 . . . . . 39 ILE CG2 . 7172 1 531 . 1 1 39 39 ILE CD1 C 13 14.031 0.035 . 1 . . . . . 39 ILE CD1 . 7172 1 532 . 1 1 39 39 ILE N N 15 121.585 0.016 . 1 . . . . . 39 ILE N . 7172 1 533 . 1 1 40 40 LEU H H 1 8.287 0.005 . 1 . . . . . 40 LEU H . 7172 1 534 . 1 1 40 40 LEU HA H 1 4.384 0.009 . 1 . . . . . 40 LEU HA . 7172 1 535 . 1 1 40 40 LEU HB2 H 1 0.763 0.006 . 2 . . . . . 40 LEU HB2 . 7172 1 536 . 1 1 40 40 LEU HB3 H 1 1.986 0.01 . 2 . . . . . 40 LEU HB3 . 7172 1 537 . 1 1 40 40 LEU HG H 1 1.381 0.004 . 1 . . . . . 40 LEU HG . 7172 1 538 . 1 1 40 40 LEU HD11 H 1 0.819 0.007 . 2 . . . . . 40 LEU HD1 . 7172 1 539 . 1 1 40 40 LEU HD12 H 1 0.819 0.007 . 2 . . . . . 40 LEU HD1 . 7172 1 540 . 1 1 40 40 LEU HD13 H 1 0.819 0.007 . 2 . . . . . 40 LEU HD1 . 7172 1 541 . 1 1 40 40 LEU HD21 H 1 0.886 0.001 . 2 . . . . . 40 LEU HD2 . 7172 1 542 . 1 1 40 40 LEU HD22 H 1 0.886 0.001 . 2 . . . . . 40 LEU HD2 . 7172 1 543 . 1 1 40 40 LEU HD23 H 1 0.886 0.001 . 2 . . . . . 40 LEU HD2 . 7172 1 544 . 1 1 40 40 LEU C C 13 175.677 0.02 . 1 . . . . . 40 LEU C . 7172 1 545 . 1 1 40 40 LEU CA C 13 54.728 0.035 . 1 . . . . . 40 LEU CA . 7172 1 546 . 1 1 40 40 LEU CB C 13 44.229 0.039 . 1 . . . . . 40 LEU CB . 7172 1 547 . 1 1 40 40 LEU CG C 13 26.508 0.02 . 1 . . . . . 40 LEU CG . 7172 1 548 . 1 1 40 40 LEU CD1 C 13 26.072 0.045 . 2 . . . . . 40 LEU CD1 . 7172 1 549 . 1 1 40 40 LEU CD2 C 13 24.31 0.032 . 2 . . . . . 40 LEU CD2 . 7172 1 550 . 1 1 40 40 LEU N N 15 121.961 0.029 . 1 . . . . . 40 LEU N . 7172 1 551 . 1 1 41 41 ALA H H 1 8.988 0.005 . 1 . . . . . 41 ALA H . 7172 1 552 . 1 1 41 41 ALA HA H 1 4.81 0.002 . 1 . . . . . 41 ALA HA . 7172 1 553 . 1 1 41 41 ALA HB1 H 1 1.365 0.007 . 1 . . . . . 41 ALA HB . 7172 1 554 . 1 1 41 41 ALA HB2 H 1 1.365 0.007 . 1 . . . . . 41 ALA HB . 7172 1 555 . 1 1 41 41 ALA HB3 H 1 1.365 0.007 . 1 . . . . . 41 ALA HB . 7172 1 556 . 1 1 41 41 ALA C C 13 177.313 0.02 . 1 . . . . . 41 ALA C . 7172 1 557 . 1 1 41 41 ALA CA C 13 53.13 0.014 . 1 . . . . . 41 ALA CA . 7172 1 558 . 1 1 41 41 ALA CB C 13 21.386 0.023 . 1 . . . . . 41 ALA CB . 7172 1 559 . 1 1 41 41 ALA N N 15 129.091 0.024 . 1 . . . . . 41 ALA N . 7172 1 560 . 1 1 42 42 ASN H H 1 7.524 0.004 . 1 . . . . . 42 ASN H . 7172 1 561 . 1 1 42 42 ASN HA H 1 4.868 0.003 . 1 . . . . . 42 ASN HA . 7172 1 562 . 1 1 42 42 ASN HB2 H 1 2.97 0.02 . 2 . . . . . 42 ASN HB2 . 7172 1 563 . 1 1 42 42 ASN HB3 H 1 2.858 0.006 . 2 . . . . . 42 ASN HB3 . 7172 1 564 . 1 1 42 42 ASN HD21 H 1 7.578 0.02 . 2 . . . . . 42 ASN HD21 . 7172 1 565 . 1 1 42 42 ASN HD22 H 1 7.401 0.02 . 2 . . . . . 42 ASN HD22 . 7172 1 566 . 1 1 42 42 ASN C C 13 173.952 0.02 . 1 . . . . . 42 ASN C . 7172 1 567 . 1 1 42 42 ASN CA C 13 54.9 0.018 . 1 . . . . . 42 ASN CA . 7172 1 568 . 1 1 42 42 ASN CB C 13 41.533 0.024 . 1 . . . . . 42 ASN CB . 7172 1 569 . 1 1 42 42 ASN CG C 13 175.601 0.01 . 1 . . . . . 42 ASN CG . 7172 1 570 . 1 1 42 42 ASN N N 15 113.815 0.014 . 1 . . . . . 42 ASN N . 7172 1 571 . 1 1 42 42 ASN ND2 N 15 112.928 0.001 . 1 . . . . . 42 ASN ND2 . 7172 1 572 . 1 1 43 43 THR H H 1 8.889 0.007 . 1 . . . . . 43 THR H . 7172 1 573 . 1 1 43 43 THR HA H 1 5.397 0.006 . 1 . . . . . 43 THR HA . 7172 1 574 . 1 1 43 43 THR HB H 1 5.023 0.008 . 1 . . . . . 43 THR HB . 7172 1 575 . 1 1 43 43 THR HG21 H 1 1.319 0.009 . 1 . . . . . 43 THR HG2 . 7172 1 576 . 1 1 43 43 THR HG22 H 1 1.319 0.009 . 1 . . . . . 43 THR HG2 . 7172 1 577 . 1 1 43 43 THR HG23 H 1 1.319 0.009 . 1 . . . . . 43 THR HG2 . 7172 1 578 . 1 1 43 43 THR C C 13 175.619 0.02 . 1 . . . . . 43 THR C . 7172 1 579 . 1 1 43 43 THR CA C 13 60.439 0.105 . 1 . . . . . 43 THR CA . 7172 1 580 . 1 1 43 43 THR CB C 13 69.452 0.065 . 1 . . . . . 43 THR CB . 7172 1 581 . 1 1 43 43 THR CG2 C 13 23.862 0.005 . 1 . . . . . 43 THR CG2 . 7172 1 582 . 1 1 43 43 THR N N 15 115.991 0.015 . 1 . . . . . 43 THR N . 7172 1 583 . 1 1 44 44 GLU H H 1 8.792 0.005 . 1 . . . . . 44 GLU H . 7172 1 584 . 1 1 44 44 GLU HA H 1 4.06 0.004 . 1 . . . . . 44 GLU HA . 7172 1 585 . 1 1 44 44 GLU HB2 H 1 2.085 0.008 . 2 . . . . . 44 GLU HB2 . 7172 1 586 . 1 1 44 44 GLU HB3 H 1 1.889 0.02 . 2 . . . . . 44 GLU HB3 . 7172 1 587 . 1 1 44 44 GLU HG2 H 1 2.319 0.002 . 1 . . . . . 44 GLU HG2 . 7172 1 588 . 1 1 44 44 GLU HG3 H 1 2.319 0.002 . 1 . . . . . 44 GLU HG3 . 7172 1 589 . 1 1 44 44 GLU C C 13 177.583 0.02 . 1 . . . . . 44 GLU C . 7172 1 590 . 1 1 44 44 GLU CA C 13 57.832 0.045 . 1 . . . . . 44 GLU CA . 7172 1 591 . 1 1 44 44 GLU CB C 13 30.559 0.027 . 1 . . . . . 44 GLU CB . 7172 1 592 . 1 1 44 44 GLU CG C 13 36.629 0.064 . 1 . . . . . 44 GLU CG . 7172 1 593 . 1 1 44 44 GLU N N 15 124.885 0.026 . 1 . . . . . 44 GLU N . 7172 1 594 . 1 1 45 45 ASN H H 1 8.841 0.003 . 1 . . . . . 45 ASN H . 7172 1 595 . 1 1 45 45 ASN HA H 1 4.777 0.006 . 1 . . . . . 45 ASN HA . 7172 1 596 . 1 1 45 45 ASN HB2 H 1 2.9 0.006 . 1 . . . . . 45 ASN HB2 . 7172 1 597 . 1 1 45 45 ASN HB3 H 1 2.9 0.006 . 1 . . . . . 45 ASN HB3 . 7172 1 598 . 1 1 45 45 ASN HD21 H 1 7.76 0.02 . 2 . . . . . 45 ASN HD21 . 7172 1 599 . 1 1 45 45 ASN HD22 H 1 7.201 0.02 . 2 . . . . . 45 ASN HD22 . 7172 1 600 . 1 1 45 45 ASN C C 13 176.714 0.02 . 1 . . . . . 45 ASN C . 7172 1 601 . 1 1 45 45 ASN CA C 13 55.174 0.031 . 1 . . . . . 45 ASN CA . 7172 1 602 . 1 1 45 45 ASN CB C 13 38.791 0.013 . 1 . . . . . 45 ASN CB . 7172 1 603 . 1 1 45 45 ASN CG C 13 176.703 0.01 . 1 . . . . . 45 ASN CG . 7172 1 604 . 1 1 45 45 ASN N N 15 123.508 0.01 . 1 . . . . . 45 ASN N . 7172 1 605 . 1 1 45 45 ASN ND2 N 15 114.809 0.02 . 1 . . . . . 45 ASN ND2 . 7172 1 606 . 1 1 46 46 THR H H 1 9.608 0.005 . 1 . . . . . 46 THR H . 7172 1 607 . 1 1 46 46 THR HA H 1 4.477 0.003 . 1 . . . . . 46 THR HA . 7172 1 608 . 1 1 46 46 THR HB H 1 3.982 0.006 . 1 . . . . . 46 THR HB . 7172 1 609 . 1 1 46 46 THR HG21 H 1 0.695 0.005 . 1 . . . . . 46 THR HG2 . 7172 1 610 . 1 1 46 46 THR HG22 H 1 0.695 0.005 . 1 . . . . . 46 THR HG2 . 7172 1 611 . 1 1 46 46 THR HG23 H 1 0.695 0.005 . 1 . . . . . 46 THR HG2 . 7172 1 612 . 1 1 46 46 THR C C 13 172.282 0.02 . 1 . . . . . 46 THR C . 7172 1 613 . 1 1 46 46 THR CA C 13 62.821 0.053 . 1 . . . . . 46 THR CA . 7172 1 614 . 1 1 46 46 THR CB C 13 72.873 0.021 . 1 . . . . . 46 THR CB . 7172 1 615 . 1 1 46 46 THR CG2 C 13 20.697 0.008 . 1 . . . . . 46 THR CG2 . 7172 1 616 . 1 1 46 46 THR N N 15 128.805 0.007 . 1 . . . . . 46 THR N . 7172 1 617 . 1 1 47 47 GLU H H 1 9.119 0.005 . 1 . . . . . 47 GLU H . 7172 1 618 . 1 1 47 47 GLU HA H 1 4.771 0.02 . 1 . . . . . 47 GLU HA . 7172 1 619 . 1 1 47 47 GLU HB2 H 1 2.451 0.005 . 2 . . . . . 47 GLU HB2 . 7172 1 620 . 1 1 47 47 GLU HB3 H 1 1.823 0.007 . 2 . . . . . 47 GLU HB3 . 7172 1 621 . 1 1 47 47 GLU HG2 H 1 2.411 0.007 . 2 . . . . . 47 GLU HG2 . 7172 1 622 . 1 1 47 47 GLU HG3 H 1 2.332 0.003 . 2 . . . . . 47 GLU HG3 . 7172 1 623 . 1 1 47 47 GLU C C 13 178.017 0.02 . 1 . . . . . 47 GLU C . 7172 1 624 . 1 1 47 47 GLU CA C 13 54.636 0.031 . 1 . . . . . 47 GLU CA . 7172 1 625 . 1 1 47 47 GLU CB C 13 30.751 0.077 . 1 . . . . . 47 GLU CB . 7172 1 626 . 1 1 47 47 GLU CG C 13 36.141 0.024 . 1 . . . . . 47 GLU CG . 7172 1 627 . 1 1 47 47 GLU N N 15 126.337 0.015 . 1 . . . . . 47 GLU N . 7172 1 628 . 1 1 48 48 LEU H H 1 9.334 0.005 . 1 . . . . . 48 LEU H . 7172 1 629 . 1 1 48 48 LEU HA H 1 4.021 0.007 . 1 . . . . . 48 LEU HA . 7172 1 630 . 1 1 48 48 LEU HB2 H 1 2.082 0.006 . 1 . . . . . 48 LEU HB2 . 7172 1 631 . 1 1 48 48 LEU HB3 H 1 2.082 0.006 . 1 . . . . . 48 LEU HB3 . 7172 1 632 . 1 1 48 48 LEU HG H 1 1.712 0.004 . 1 . . . . . 48 LEU HG . 7172 1 633 . 1 1 48 48 LEU HD11 H 1 1.169 0.006 . 2 . . . . . 48 LEU HD1 . 7172 1 634 . 1 1 48 48 LEU HD12 H 1 1.169 0.006 . 2 . . . . . 48 LEU HD1 . 7172 1 635 . 1 1 48 48 LEU HD13 H 1 1.169 0.006 . 2 . . . . . 48 LEU HD1 . 7172 1 636 . 1 1 48 48 LEU HD21 H 1 0.998 0.008 . 2 . . . . . 48 LEU HD2 . 7172 1 637 . 1 1 48 48 LEU HD22 H 1 0.998 0.008 . 2 . . . . . 48 LEU HD2 . 7172 1 638 . 1 1 48 48 LEU HD23 H 1 0.998 0.008 . 2 . . . . . 48 LEU HD2 . 7172 1 639 . 1 1 48 48 LEU C C 13 179.953 0.02 . 1 . . . . . 48 LEU C . 7172 1 640 . 1 1 48 48 LEU CA C 13 59.843 0.053 . 1 . . . . . 48 LEU CA . 7172 1 641 . 1 1 48 48 LEU CB C 13 41.683 0.028 . 1 . . . . . 48 LEU CB . 7172 1 642 . 1 1 48 48 LEU CG C 13 27.694 0.005 . 1 . . . . . 48 LEU CG . 7172 1 643 . 1 1 48 48 LEU CD1 C 13 26.523 0.021 . 2 . . . . . 48 LEU CD1 . 7172 1 644 . 1 1 48 48 LEU CD2 C 13 25.107 0.003 . 2 . . . . . 48 LEU CD2 . 7172 1 645 . 1 1 48 48 LEU N N 15 124.816 0.009 . 1 . . . . . 48 LEU N . 7172 1 646 . 1 1 49 49 ARG H H 1 8.694 0.004 . 1 . . . . . 49 ARG H . 7172 1 647 . 1 1 49 49 ARG HA H 1 4.063 0.005 . 1 . . . . . 49 ARG HA . 7172 1 648 . 1 1 49 49 ARG HB2 H 1 1.902 0.006 . 2 . . . . . 49 ARG HB2 . 7172 1 649 . 1 1 49 49 ARG HB3 H 1 1.763 0.006 . 2 . . . . . 49 ARG HB3 . 7172 1 650 . 1 1 49 49 ARG HG2 H 1 1.524 0.006 . 1 . . . . . 49 ARG HG2 . 7172 1 651 . 1 1 49 49 ARG HG3 H 1 1.524 0.006 . 1 . . . . . 49 ARG HG3 . 7172 1 652 . 1 1 49 49 ARG HD2 H 1 3.188 0.009 . 1 . . . . . 49 ARG HD2 . 7172 1 653 . 1 1 49 49 ARG HD3 H 1 3.188 0.009 . 1 . . . . . 49 ARG HD3 . 7172 1 654 . 1 1 49 49 ARG C C 13 176.206 0.02 . 1 . . . . . 49 ARG C . 7172 1 655 . 1 1 49 49 ARG CA C 13 58.156 0.061 . 1 . . . . . 49 ARG CA . 7172 1 656 . 1 1 49 49 ARG CB C 13 29.535 0.026 . 1 . . . . . 49 ARG CB . 7172 1 657 . 1 1 49 49 ARG CG C 13 26.478 0.03 . 1 . . . . . 49 ARG CG . 7172 1 658 . 1 1 49 49 ARG CD C 13 43.436 0.058 . 1 . . . . . 49 ARG CD . 7172 1 659 . 1 1 49 49 ARG N N 15 115.349 0.025 . 1 . . . . . 49 ARG N . 7172 1 660 . 1 1 50 50 ASP H H 1 7.498 0.004 . 1 . . . . . 50 ASP H . 7172 1 661 . 1 1 50 50 ASP HA H 1 4.637 0.003 . 1 . . . . . 50 ASP HA . 7172 1 662 . 1 1 50 50 ASP HB2 H 1 2.681 0.003 . 1 . . . . . 50 ASP HB2 . 7172 1 663 . 1 1 50 50 ASP HB3 H 1 2.681 0.003 . 1 . . . . . 50 ASP HB3 . 7172 1 664 . 1 1 50 50 ASP C C 13 175.998 0.02 . 1 . . . . . 50 ASP C . 7172 1 665 . 1 1 50 50 ASP CA C 13 54.558 0.047 . 1 . . . . . 50 ASP CA . 7172 1 666 . 1 1 50 50 ASP CB C 13 43.224 0.036 . 1 . . . . . 50 ASP CB . 7172 1 667 . 1 1 50 50 ASP N N 15 116.75 0.018 . 1 . . . . . 50 ASP N . 7172 1 668 . 1 1 51 51 LEU H H 1 7.228 0.005 . 1 . . . . . 51 LEU H . 7172 1 669 . 1 1 51 51 LEU HA H 1 3.482 0.002 . 1 . . . . . 51 LEU HA . 7172 1 670 . 1 1 51 51 LEU HB2 H 1 1.482 0.008 . 2 . . . . . 51 LEU HB2 . 7172 1 671 . 1 1 51 51 LEU HB3 H 1 0.836 0.006 . 2 . . . . . 51 LEU HB3 . 7172 1 672 . 1 1 51 51 LEU HG H 1 0.945 0.008 . 1 . . . . . 51 LEU HG . 7172 1 673 . 1 1 51 51 LEU HD11 H 1 -0.203 0.009 . 2 . . . . . 51 LEU HD1 . 7172 1 674 . 1 1 51 51 LEU HD12 H 1 -0.203 0.009 . 2 . . . . . 51 LEU HD1 . 7172 1 675 . 1 1 51 51 LEU HD13 H 1 -0.203 0.009 . 2 . . . . . 51 LEU HD1 . 7172 1 676 . 1 1 51 51 LEU HD21 H 1 0.062 0.008 . 2 . . . . . 51 LEU HD2 . 7172 1 677 . 1 1 51 51 LEU HD22 H 1 0.062 0.008 . 2 . . . . . 51 LEU HD2 . 7172 1 678 . 1 1 51 51 LEU HD23 H 1 0.062 0.008 . 2 . . . . . 51 LEU HD2 . 7172 1 679 . 1 1 51 51 LEU C C 13 174.266 0.02 . 1 . . . . . 51 LEU C . 7172 1 680 . 1 1 51 51 LEU CA C 13 59.39 0.044 . 1 . . . . . 51 LEU CA . 7172 1 681 . 1 1 51 51 LEU CB C 13 39.354 0.022 . 1 . . . . . 51 LEU CB . 7172 1 682 . 1 1 51 51 LEU CG C 13 26.303 0.018 . 1 . . . . . 51 LEU CG . 7172 1 683 . 1 1 51 51 LEU CD1 C 13 24.895 0.035 . 2 . . . . . 51 LEU CD1 . 7172 1 684 . 1 1 51 51 LEU CD2 C 13 22.395 0.01 . 2 . . . . . 51 LEU CD2 . 7172 1 685 . 1 1 51 51 LEU N N 15 121.271 0.011 . 1 . . . . . 51 LEU N . 7172 1 686 . 1 1 52 52 PRO HA H 1 3.761 0.003 . 1 . . . . . 52 PRO HA . 7172 1 687 . 1 1 52 52 PRO HB2 H 1 2.111 0.009 . 2 . . . . . 52 PRO HB2 . 7172 1 688 . 1 1 52 52 PRO HB3 H 1 1.548 0.012 . 2 . . . . . 52 PRO HB3 . 7172 1 689 . 1 1 52 52 PRO HG2 H 1 1.894 0.004 . 2 . . . . . 52 PRO HG2 . 7172 1 690 . 1 1 52 52 PRO HG3 H 1 1.797 0.008 . 2 . . . . . 52 PRO HG3 . 7172 1 691 . 1 1 52 52 PRO HD2 H 1 3.321 0.006 . 2 . . . . . 52 PRO HD2 . 7172 1 692 . 1 1 52 52 PRO HD3 H 1 3.518 0.003 . 2 . . . . . 52 PRO HD3 . 7172 1 693 . 1 1 52 52 PRO C C 13 178.925 0.02 . 1 . . . . . 52 PRO C . 7172 1 694 . 1 1 52 52 PRO CA C 13 66.641 0.025 . 1 . . . . . 52 PRO CA . 7172 1 695 . 1 1 52 52 PRO CB C 13 31.763 0.048 . 1 . . . . . 52 PRO CB . 7172 1 696 . 1 1 52 52 PRO CG C 13 28.529 0.014 . 1 . . . . . 52 PRO CG . 7172 1 697 . 1 1 52 52 PRO CD C 13 50.095 0.024 . 1 . . . . . 52 PRO CD . 7172 1 698 . 1 1 53 53 LYS H H 1 7.176 0.006 . 1 . . . . . 53 LYS H . 7172 1 699 . 1 1 53 53 LYS HA H 1 4.007 0.006 . 1 . . . . . 53 LYS HA . 7172 1 700 . 1 1 53 53 LYS HB2 H 1 1.834 0.002 . 1 . . . . . 53 LYS HB2 . 7172 1 701 . 1 1 53 53 LYS HB3 H 1 1.834 0.002 . 1 . . . . . 53 LYS HB3 . 7172 1 702 . 1 1 53 53 LYS HG2 H 1 1.43 0.007 . 1 . . . . . 53 LYS HG2 . 7172 1 703 . 1 1 53 53 LYS HG3 H 1 1.43 0.007 . 1 . . . . . 53 LYS HG3 . 7172 1 704 . 1 1 53 53 LYS HD2 H 1 1.618 0.022 . 1 . . . . . 53 LYS HD2 . 7172 1 705 . 1 1 53 53 LYS HD3 H 1 1.618 0.022 . 1 . . . . . 53 LYS HD3 . 7172 1 706 . 1 1 53 53 LYS HE2 H 1 2.961 0.004 . 1 . . . . . 53 LYS HE2 . 7172 1 707 . 1 1 53 53 LYS HE3 H 1 2.961 0.004 . 1 . . . . . 53 LYS HE3 . 7172 1 708 . 1 1 53 53 LYS C C 13 178.513 0.02 . 1 . . . . . 53 LYS C . 7172 1 709 . 1 1 53 53 LYS CA C 13 57.333 0.046 . 1 . . . . . 53 LYS CA . 7172 1 710 . 1 1 53 53 LYS CB C 13 32.313 0.1 . 1 . . . . . 53 LYS CB . 7172 1 711 . 1 1 53 53 LYS CG C 13 25.451 0.001 . 1 . . . . . 53 LYS CG . 7172 1 712 . 1 1 53 53 LYS CD C 13 29.377 0.016 . 1 . . . . . 53 LYS CD . 7172 1 713 . 1 1 53 53 LYS CE C 13 42.291 0.02 . 1 . . . . . 53 LYS CE . 7172 1 714 . 1 1 53 53 LYS N N 15 112.624 0.068 . 1 . . . . . 53 LYS N . 7172 1 715 . 1 1 54 54 ARG H H 1 7.747 0.005 . 1 . . . . . 54 ARG H . 7172 1 716 . 1 1 54 54 ARG HA H 1 4.018 0.003 . 1 . . . . . 54 ARG HA . 7172 1 717 . 1 1 54 54 ARG HB2 H 1 2.124 0.009 . 2 . . . . . 54 ARG HB2 . 7172 1 718 . 1 1 54 54 ARG HB3 H 1 1.627 0.006 . 2 . . . . . 54 ARG HB3 . 7172 1 719 . 1 1 54 54 ARG HG2 H 1 1.28 0.006 . 2 . . . . . 54 ARG HG2 . 7172 1 720 . 1 1 54 54 ARG HG3 H 1 0.752 0.011 . 2 . . . . . 54 ARG HG3 . 7172 1 721 . 1 1 54 54 ARG HD2 H 1 2.963 0.008 . 2 . . . . . 54 ARG HD2 . 7172 1 722 . 1 1 54 54 ARG HD3 H 1 2.619 0.007 . 2 . . . . . 54 ARG HD3 . 7172 1 723 . 1 1 54 54 ARG HE H 1 7.164 0.002 . 1 . . . . . 54 ARG HE . 7172 1 724 . 1 1 54 54 ARG C C 13 175.527 0.02 . 1 . . . . . 54 ARG C . 7172 1 725 . 1 1 54 54 ARG CA C 13 54.354 0.031 . 1 . . . . . 54 ARG CA . 7172 1 726 . 1 1 54 54 ARG CB C 13 29.892 0.055 . 1 . . . . . 54 ARG CB . 7172 1 727 . 1 1 54 54 ARG CG C 13 27.238 0.046 . 1 . . . . . 54 ARG CG . 7172 1 728 . 1 1 54 54 ARG CD C 13 41.996 0.042 . 1 . . . . . 54 ARG CD . 7172 1 729 . 1 1 54 54 ARG N N 15 116.844 0.021 . 1 . . . . . 54 ARG N . 7172 1 730 . 1 1 54 54 ARG NE N 15 88.234 0.006 . 1 . . . . . 54 ARG NE . 7172 1 731 . 1 1 55 55 ILE H H 1 6.659 0.005 . 1 . . . . . 55 ILE H . 7172 1 732 . 1 1 55 55 ILE HA H 1 3.954 0.003 . 1 . . . . . 55 ILE HA . 7172 1 733 . 1 1 55 55 ILE HB H 1 1.984 0.006 . 1 . . . . . 55 ILE HB . 7172 1 734 . 1 1 55 55 ILE HG12 H 1 1.451 0.007 . 2 . . . . . 55 ILE HG12 . 7172 1 735 . 1 1 55 55 ILE HG13 H 1 0.834 0.006 . 2 . . . . . 55 ILE HG13 . 7172 1 736 . 1 1 55 55 ILE HG21 H 1 0.591 0.006 . 1 . . . . . 55 ILE HG2 . 7172 1 737 . 1 1 55 55 ILE HG22 H 1 0.591 0.006 . 1 . . . . . 55 ILE HG2 . 7172 1 738 . 1 1 55 55 ILE HG23 H 1 0.591 0.006 . 1 . . . . . 55 ILE HG2 . 7172 1 739 . 1 1 55 55 ILE HD11 H 1 -0.251 0.009 . 1 . . . . . 55 ILE HD1 . 7172 1 740 . 1 1 55 55 ILE HD12 H 1 -0.251 0.009 . 1 . . . . . 55 ILE HD1 . 7172 1 741 . 1 1 55 55 ILE HD13 H 1 -0.251 0.009 . 1 . . . . . 55 ILE HD1 . 7172 1 742 . 1 1 55 55 ILE C C 13 174.092 0.02 . 1 . . . . . 55 ILE C . 7172 1 743 . 1 1 55 55 ILE CA C 13 57.137 0.025 . 1 . . . . . 55 ILE CA . 7172 1 744 . 1 1 55 55 ILE CB C 13 35.844 0.029 . 1 . . . . . 55 ILE CB . 7172 1 745 . 1 1 55 55 ILE CG1 C 13 26.472 0.014 . 1 . . . . . 55 ILE CG1 . 7172 1 746 . 1 1 55 55 ILE CG2 C 13 17.012 0.02 . 1 . . . . . 55 ILE CG2 . 7172 1 747 . 1 1 55 55 ILE CD1 C 13 7.905 0.008 . 1 . . . . . 55 ILE CD1 . 7172 1 748 . 1 1 55 55 ILE N N 15 116.396 0.021 . 1 . . . . . 55 ILE N . 7172 1 749 . 1 1 56 56 PRO HA H 1 4.435 0.003 . 1 . . . . . 56 PRO HA . 7172 1 750 . 1 1 56 56 PRO HB2 H 1 2.438 0.005 . 2 . . . . . 56 PRO HB2 . 7172 1 751 . 1 1 56 56 PRO HB3 H 1 1.932 0.01 . 2 . . . . . 56 PRO HB3 . 7172 1 752 . 1 1 56 56 PRO HG2 H 1 1.904 0.006 . 2 . . . . . 56 PRO HG2 . 7172 1 753 . 1 1 56 56 PRO HG3 H 1 1.806 0.005 . 2 . . . . . 56 PRO HG3 . 7172 1 754 . 1 1 56 56 PRO HD2 H 1 4.717 0.004 . 2 . . . . . 56 PRO HD2 . 7172 1 755 . 1 1 56 56 PRO HD3 H 1 3.534 0.007 . 2 . . . . . 56 PRO HD3 . 7172 1 756 . 1 1 56 56 PRO C C 13 177.417 0.02 . 1 . . . . . 56 PRO C . 7172 1 757 . 1 1 56 56 PRO CA C 13 63.47 0.047 . 1 . . . . . 56 PRO CA . 7172 1 758 . 1 1 56 56 PRO CB C 13 32.42 0.014 . 1 . . . . . 56 PRO CB . 7172 1 759 . 1 1 56 56 PRO CG C 13 27.766 0.036 . 1 . . . . . 56 PRO CG . 7172 1 760 . 1 1 56 56 PRO CD C 13 50.809 0.033 . 1 . . . . . 56 PRO CD . 7172 1 761 . 1 1 57 57 LYS H H 1 8.831 0.005 . 1 . . . . . 57 LYS H . 7172 1 762 . 1 1 57 57 LYS HA H 1 4.318 0.008 . 1 . . . . . 57 LYS HA . 7172 1 763 . 1 1 57 57 LYS HB2 H 1 1.872 0.012 . 2 . . . . . 57 LYS HB2 . 7172 1 764 . 1 1 57 57 LYS HB3 H 1 1.67 0.005 . 2 . . . . . 57 LYS HB3 . 7172 1 765 . 1 1 57 57 LYS HG2 H 1 1.468 0.006 . 1 . . . . . 57 LYS HG2 . 7172 1 766 . 1 1 57 57 LYS HG3 H 1 1.468 0.006 . 1 . . . . . 57 LYS HG3 . 7172 1 767 . 1 1 57 57 LYS HD2 H 1 1.682 0.003 . 1 . . . . . 57 LYS HD2 . 7172 1 768 . 1 1 57 57 LYS HD3 H 1 1.682 0.003 . 1 . . . . . 57 LYS HD3 . 7172 1 769 . 1 1 57 57 LYS HE2 H 1 3.004 0.005 . 1 . . . . . 57 LYS HE2 . 7172 1 770 . 1 1 57 57 LYS HE3 H 1 3.004 0.005 . 1 . . . . . 57 LYS HE3 . 7172 1 771 . 1 1 57 57 LYS C C 13 177.252 0.02 . 1 . . . . . 57 LYS C . 7172 1 772 . 1 1 57 57 LYS CA C 13 56.76 0.027 . 1 . . . . . 57 LYS CA . 7172 1 773 . 1 1 57 57 LYS CB C 13 33.335 0.112 . 1 . . . . . 57 LYS CB . 7172 1 774 . 1 1 57 57 LYS CG C 13 25.438 0.014 . 1 . . . . . 57 LYS CG . 7172 1 775 . 1 1 57 57 LYS CD C 13 29.065 0.02 . 1 . . . . . 57 LYS CD . 7172 1 776 . 1 1 57 57 LYS CE C 13 42.612 0.029 . 1 . . . . . 57 LYS CE . 7172 1 777 . 1 1 57 57 LYS N N 15 120.256 0.014 . 1 . . . . . 57 LYS N . 7172 1 778 . 1 1 58 58 ASP H H 1 8.249 0.006 . 1 . . . . . 58 ASP H . 7172 1 779 . 1 1 58 58 ASP HA H 1 4.556 0.008 . 1 . . . . . 58 ASP HA . 7172 1 780 . 1 1 58 58 ASP HB2 H 1 2.813 0.006 . 2 . . . . . 58 ASP HB2 . 7172 1 781 . 1 1 58 58 ASP HB3 H 1 2.532 0.004 . 2 . . . . . 58 ASP HB3 . 7172 1 782 . 1 1 58 58 ASP C C 13 174.651 0.02 . 1 . . . . . 58 ASP C . 7172 1 783 . 1 1 58 58 ASP CA C 13 53.554 0.046 . 1 . . . . . 58 ASP CA . 7172 1 784 . 1 1 58 58 ASP CB C 13 41.467 0.035 . 1 . . . . . 58 ASP CB . 7172 1 785 . 1 1 58 58 ASP N N 15 114.832 0.031 . 1 . . . . . 58 ASP N . 7172 1 786 . 1 1 59 59 SER H H 1 6.842 0.005 . 1 . . . . . 59 SER H . 7172 1 787 . 1 1 59 59 SER HA H 1 4.306 0.003 . 1 . . . . . 59 SER HA . 7172 1 788 . 1 1 59 59 SER HB2 H 1 3.606 0.002 . 1 . . . . . 59 SER HB2 . 7172 1 789 . 1 1 59 59 SER HB3 H 1 3.606 0.002 . 1 . . . . . 59 SER HB3 . 7172 1 790 . 1 1 59 59 SER C C 13 171.872 0.02 . 1 . . . . . 59 SER C . 7172 1 791 . 1 1 59 59 SER CA C 13 57.151 0.016 . 1 . . . . . 59 SER CA . 7172 1 792 . 1 1 59 59 SER CB C 13 65.298 0.012 . 1 . . . . . 59 SER CB . 7172 1 793 . 1 1 59 59 SER N N 15 112.216 0.031 . 1 . . . . . 59 SER N . 7172 1 794 . 1 1 60 60 ALA H H 1 8.222 0.007 . 1 . . . . . 60 ALA H . 7172 1 795 . 1 1 60 60 ALA HA H 1 4.463 0.006 . 1 . . . . . 60 ALA HA . 7172 1 796 . 1 1 60 60 ALA HB1 H 1 0.635 0.007 . 1 . . . . . 60 ALA HB . 7172 1 797 . 1 1 60 60 ALA HB2 H 1 0.635 0.007 . 1 . . . . . 60 ALA HB . 7172 1 798 . 1 1 60 60 ALA HB3 H 1 0.635 0.007 . 1 . . . . . 60 ALA HB . 7172 1 799 . 1 1 60 60 ALA C C 13 176.091 0.02 . 1 . . . . . 60 ALA C . 7172 1 800 . 1 1 60 60 ALA CA C 13 51.566 0.007 . 1 . . . . . 60 ALA CA . 7172 1 801 . 1 1 60 60 ALA CB C 13 19.563 0.035 . 1 . . . . . 60 ALA CB . 7172 1 802 . 1 1 60 60 ALA N N 15 127.891 0.031 . 1 . . . . . 60 ALA N . 7172 1 803 . 1 1 61 61 ARG H H 1 8.274 0.006 . 1 . . . . . 61 ARG H . 7172 1 804 . 1 1 61 61 ARG HA H 1 4.477 0.006 . 1 . . . . . 61 ARG HA . 7172 1 805 . 1 1 61 61 ARG HB2 H 1 1.367 0.012 . 2 . . . . . 61 ARG HB2 . 7172 1 806 . 1 1 61 61 ARG HB3 H 1 1.286 0.018 . 2 . . . . . 61 ARG HB3 . 7172 1 807 . 1 1 61 61 ARG HG2 H 1 1.625 0.02 . 1 . . . . . 61 ARG HG2 . 7172 1 808 . 1 1 61 61 ARG HG3 H 1 1.625 0.02 . 1 . . . . . 61 ARG HG3 . 7172 1 809 . 1 1 61 61 ARG HD2 H 1 3.188 0.005 . 1 . . . . . 61 ARG HD2 . 7172 1 810 . 1 1 61 61 ARG HD3 H 1 3.188 0.005 . 1 . . . . . 61 ARG HD3 . 7172 1 811 . 1 1 61 61 ARG HE H 1 7.263 0.003 . 1 . . . . . 61 ARG HE . 7172 1 812 . 1 1 61 61 ARG C C 13 174.018 0.02 . 1 . . . . . 61 ARG C . 7172 1 813 . 1 1 61 61 ARG CA C 13 53.262 0.035 . 1 . . . . . 61 ARG CA . 7172 1 814 . 1 1 61 61 ARG CB C 13 37.417 0.053 . 1 . . . . . 61 ARG CB . 7172 1 815 . 1 1 61 61 ARG CG C 13 26.483 0.02 . 1 . . . . . 61 ARG CG . 7172 1 816 . 1 1 61 61 ARG CD C 13 43.561 0.014 . 1 . . . . . 61 ARG CD . 7172 1 817 . 1 1 61 61 ARG N N 15 115.298 0.024 . 1 . . . . . 61 ARG N . 7172 1 818 . 1 1 61 61 ARG NE N 15 96.013 15.116 . 1 . . . . . 61 ARG NE . 7172 1 819 . 1 1 62 62 TYR H H 1 7.475 0.006 . 1 . . . . . 62 TYR H . 7172 1 820 . 1 1 62 62 TYR HA H 1 5.491 0.002 . 1 . . . . . 62 TYR HA . 7172 1 821 . 1 1 62 62 TYR HB2 H 1 2.997 0.02 . 2 . . . . . 62 TYR HB2 . 7172 1 822 . 1 1 62 62 TYR HB3 H 1 3.134 0.02 . 2 . . . . . 62 TYR HB3 . 7172 1 823 . 1 1 62 62 TYR HD1 H 1 6.995 0.002 . 1 . . . . . 62 TYR HD1 . 7172 1 824 . 1 1 62 62 TYR HD2 H 1 6.995 0.002 . 1 . . . . . 62 TYR HD2 . 7172 1 825 . 1 1 62 62 TYR HE1 H 1 6.317 0.007 . 1 . . . . . 62 TYR HE1 . 7172 1 826 . 1 1 62 62 TYR HE2 H 1 6.317 0.007 . 1 . . . . . 62 TYR HE2 . 7172 1 827 . 1 1 62 62 TYR C C 13 175.077 0.02 . 1 . . . . . 62 TYR C . 7172 1 828 . 1 1 62 62 TYR CA C 13 53.993 0.11 . 1 . . . . . 62 TYR CA . 7172 1 829 . 1 1 62 62 TYR CB C 13 41.501 0.041 . 1 . . . . . 62 TYR CB . 7172 1 830 . 1 1 62 62 TYR CD1 C 13 131.886 0.02 . 1 . . . . . 62 TYR CD1 . 7172 1 831 . 1 1 62 62 TYR CD2 C 13 131.886 0.02 . 1 . . . . . 62 TYR CD2 . 7172 1 832 . 1 1 62 62 TYR CE1 C 13 117.897 0.02 . 1 . . . . . 62 TYR CE1 . 7172 1 833 . 1 1 62 62 TYR CE2 C 13 117.897 0.02 . 1 . . . . . 62 TYR CE2 . 7172 1 834 . 1 1 62 62 TYR N N 15 116.442 0.024 . 1 . . . . . 62 TYR N . 7172 1 835 . 1 1 63 63 HIS H H 1 8.929 0.006 . 1 . . . . . 63 HIS H . 7172 1 836 . 1 1 63 63 HIS HA H 1 5.466 0.002 . 1 . . . . . 63 HIS HA . 7172 1 837 . 1 1 63 63 HIS HB2 H 1 3.091 0.004 . 2 . . . . . 63 HIS HB2 . 7172 1 838 . 1 1 63 63 HIS HB3 H 1 2.879 0.006 . 2 . . . . . 63 HIS HB3 . 7172 1 839 . 1 1 63 63 HIS HD2 H 1 6.898 0.005 . 1 . . . . . 63 HIS HD2 . 7172 1 840 . 1 1 63 63 HIS HE1 H 1 7.527 0.02 . 1 . . . . . 63 HIS HE1 . 7172 1 841 . 1 1 63 63 HIS C C 13 174.28 0.02 . 1 . . . . . 63 HIS C . 7172 1 842 . 1 1 63 63 HIS CA C 13 54.165 0.01 . 1 . . . . . 63 HIS CA . 7172 1 843 . 1 1 63 63 HIS CB C 13 34.411 0.029 . 1 . . . . . 63 HIS CB . 7172 1 844 . 1 1 63 63 HIS CD2 C 13 119.931 0.02 . 1 . . . . . 63 HIS CD2 . 7172 1 845 . 1 1 63 63 HIS CE1 C 13 135.483 0.02 . 1 . . . . . 63 HIS CE1 . 7172 1 846 . 1 1 63 63 HIS N N 15 119.148 0.02 . 1 . . . . . 63 HIS N . 7172 1 847 . 1 1 64 64 PHE H H 1 9.436 0.006 . 1 . . . . . 64 PHE H . 7172 1 848 . 1 1 64 64 PHE HA H 1 5.416 0.02 . 1 . . . . . 64 PHE HA . 7172 1 849 . 1 1 64 64 PHE HB2 H 1 2.689 0.002 . 1 . . . . . 64 PHE HB2 . 7172 1 850 . 1 1 64 64 PHE HB3 H 1 2.689 0.002 . 1 . . . . . 64 PHE HB3 . 7172 1 851 . 1 1 64 64 PHE HD1 H 1 7.025 0.001 . 1 . . . . . 64 PHE HD1 . 7172 1 852 . 1 1 64 64 PHE HD2 H 1 7.025 0.001 . 1 . . . . . 64 PHE HD2 . 7172 1 853 . 1 1 64 64 PHE HZ H 1 7.199 0.02 . 1 . . . . . 64 PHE HZ . 7172 1 854 . 1 1 64 64 PHE C C 13 173.68 0.02 . 1 . . . . . 64 PHE C . 7172 1 855 . 1 1 64 64 PHE CA C 13 57.005 0.05 . 1 . . . . . 64 PHE CA . 7172 1 856 . 1 1 64 64 PHE CB C 13 42.59 0.021 . 1 . . . . . 64 PHE CB . 7172 1 857 . 1 1 64 64 PHE CD1 C 13 131.892 0.02 . 1 . . . . . 64 PHE CD1 . 7172 1 858 . 1 1 64 64 PHE CD2 C 13 131.892 0.02 . 1 . . . . . 64 PHE CD2 . 7172 1 859 . 1 1 64 64 PHE CZ C 13 130.364 0.02 . 1 . . . . . 64 PHE CZ . 7172 1 860 . 1 1 64 64 PHE N N 15 121.141 0.03 . 1 . . . . . 64 PHE N . 7172 1 861 . 1 1 65 65 PHE H H 1 9.162 0.007 . 1 . . . . . 65 PHE H . 7172 1 862 . 1 1 65 65 PHE HA H 1 5.59 0.004 . 1 . . . . . 65 PHE HA . 7172 1 863 . 1 1 65 65 PHE HB2 H 1 3.045 0.004 . 2 . . . . . 65 PHE HB2 . 7172 1 864 . 1 1 65 65 PHE HB3 H 1 2.65 0.005 . 2 . . . . . 65 PHE HB3 . 7172 1 865 . 1 1 65 65 PHE HD1 H 1 7.18 0.02 . 1 . . . . . 65 PHE HD1 . 7172 1 866 . 1 1 65 65 PHE HD2 H 1 7.18 0.02 . 1 . . . . . 65 PHE HD2 . 7172 1 867 . 1 1 65 65 PHE C C 13 172.196 0.02 . 1 . . . . . 65 PHE C . 7172 1 868 . 1 1 65 65 PHE CA C 13 55.43 0.03 . 1 . . . . . 65 PHE CA . 7172 1 869 . 1 1 65 65 PHE CB C 13 44.043 0.013 . 1 . . . . . 65 PHE CB . 7172 1 870 . 1 1 65 65 PHE N N 15 122.71 0.037 . 1 . . . . . 65 PHE N . 7172 1 871 . 1 1 66 66 LEU H H 1 8.278 0.004 . 1 . . . . . 66 LEU H . 7172 1 872 . 1 1 66 66 LEU HA H 1 4.367 0.001 . 1 . . . . . 66 LEU HA . 7172 1 873 . 1 1 66 66 LEU HB2 H 1 1.045 0.008 . 2 . . . . . 66 LEU HB2 . 7172 1 874 . 1 1 66 66 LEU HB3 H 1 1.908 0.006 . 2 . . . . . 66 LEU HB3 . 7172 1 875 . 1 1 66 66 LEU HG H 1 1.096 0.009 . 1 . . . . . 66 LEU HG . 7172 1 876 . 1 1 66 66 LEU HD11 H 1 0.872 0.006 . 2 . . . . . 66 LEU HD1 . 7172 1 877 . 1 1 66 66 LEU HD12 H 1 0.872 0.006 . 2 . . . . . 66 LEU HD1 . 7172 1 878 . 1 1 66 66 LEU HD13 H 1 0.872 0.006 . 2 . . . . . 66 LEU HD1 . 7172 1 879 . 1 1 66 66 LEU HD21 H 1 0.691 0.004 . 2 . . . . . 66 LEU HD2 . 7172 1 880 . 1 1 66 66 LEU HD22 H 1 0.691 0.004 . 2 . . . . . 66 LEU HD2 . 7172 1 881 . 1 1 66 66 LEU HD23 H 1 0.691 0.004 . 2 . . . . . 66 LEU HD2 . 7172 1 882 . 1 1 66 66 LEU C C 13 171.371 0.02 . 1 . . . . . 66 LEU C . 7172 1 883 . 1 1 66 66 LEU CA C 13 53.959 0.061 . 1 . . . . . 66 LEU CA . 7172 1 884 . 1 1 66 66 LEU CB C 13 42.971 0.05 . 1 . . . . . 66 LEU CB . 7172 1 885 . 1 1 66 66 LEU CG C 13 27.362 0.012 . 1 . . . . . 66 LEU CG . 7172 1 886 . 1 1 66 66 LEU CD1 C 13 26.333 0.032 . 2 . . . . . 66 LEU CD1 . 7172 1 887 . 1 1 66 66 LEU CD2 C 13 23.876 0.011 . 2 . . . . . 66 LEU CD2 . 7172 1 888 . 1 1 66 66 LEU N N 15 130.813 0.011 . 1 . . . . . 66 LEU N . 7172 1 889 . 1 1 67 67 TYR H H 1 9.175 0.007 . 1 . . . . . 67 TYR H . 7172 1 890 . 1 1 67 67 TYR HA H 1 4.798 0.001 . 1 . . . . . 67 TYR HA . 7172 1 891 . 1 1 67 67 TYR HB2 H 1 3.203 0.02 . 2 . . . . . 67 TYR HB2 . 7172 1 892 . 1 1 67 67 TYR HB3 H 1 2.857 0.02 . 2 . . . . . 67 TYR HB3 . 7172 1 893 . 1 1 67 67 TYR HD1 H 1 6.762 0.004 . 1 . . . . . 67 TYR HD1 . 7172 1 894 . 1 1 67 67 TYR HD2 H 1 6.762 0.004 . 1 . . . . . 67 TYR HD2 . 7172 1 895 . 1 1 67 67 TYR HE1 H 1 6.2 0.007 . 1 . . . . . 67 TYR HE1 . 7172 1 896 . 1 1 67 67 TYR HE2 H 1 6.2 0.007 . 1 . . . . . 67 TYR HE2 . 7172 1 897 . 1 1 67 67 TYR C C 13 175.79 0.02 . 1 . . . . . 67 TYR C . 7172 1 898 . 1 1 67 67 TYR CA C 13 53.889 0.019 . 1 . . . . . 67 TYR CA . 7172 1 899 . 1 1 67 67 TYR CB C 13 38.22 0.063 . 1 . . . . . 67 TYR CB . 7172 1 900 . 1 1 67 67 TYR CD1 C 13 130.419 0.02 . 1 . . . . . 67 TYR CD1 . 7172 1 901 . 1 1 67 67 TYR CD2 C 13 130.419 0.02 . 1 . . . . . 67 TYR CD2 . 7172 1 902 . 1 1 67 67 TYR CE1 C 13 117.714 0.02 . 1 . . . . . 67 TYR CE1 . 7172 1 903 . 1 1 67 67 TYR CE2 C 13 117.714 0.02 . 1 . . . . . 67 TYR CE2 . 7172 1 904 . 1 1 67 67 TYR N N 15 129.442 0.031 . 1 . . . . . 67 TYR N . 7172 1 905 . 1 1 68 68 LYS H H 1 9.62 0.004 . 1 . . . . . 68 LYS H . 7172 1 906 . 1 1 68 68 LYS HA H 1 4.975 0.007 . 1 . . . . . 68 LYS HA . 7172 1 907 . 1 1 68 68 LYS HB2 H 1 2.122 0.006 . 2 . . . . . 68 LYS HB2 . 7172 1 908 . 1 1 68 68 LYS HB3 H 1 2.047 0.006 . 2 . . . . . 68 LYS HB3 . 7172 1 909 . 1 1 68 68 LYS HG2 H 1 1.447 0.007 . 2 . . . . . 68 LYS HG2 . 7172 1 910 . 1 1 68 68 LYS HG3 H 1 1.115 0.005 . 2 . . . . . 68 LYS HG3 . 7172 1 911 . 1 1 68 68 LYS HD2 H 1 1.835 0.006 . 1 . . . . . 68 LYS HD2 . 7172 1 912 . 1 1 68 68 LYS HD3 H 1 1.835 0.006 . 1 . . . . . 68 LYS HD3 . 7172 1 913 . 1 1 68 68 LYS HE2 H 1 2.982 0.007 . 1 . . . . . 68 LYS HE2 . 7172 1 914 . 1 1 68 68 LYS HE3 H 1 2.982 0.007 . 1 . . . . . 68 LYS HE3 . 7172 1 915 . 1 1 68 68 LYS C C 13 175.79 0.02 . 1 . . . . . 68 LYS C . 7172 1 916 . 1 1 68 68 LYS CA C 13 56.126 0.048 . 1 . . . . . 68 LYS CA . 7172 1 917 . 1 1 68 68 LYS CB C 13 31.125 0.186 . 1 . . . . . 68 LYS CB . 7172 1 918 . 1 1 68 68 LYS CG C 13 25.52 0.027 . 1 . . . . . 68 LYS CG . 7172 1 919 . 1 1 68 68 LYS CD C 13 29.837 0.074 . 1 . . . . . 68 LYS CD . 7172 1 920 . 1 1 68 68 LYS CE C 13 42.255 0.144 . 1 . . . . . 68 LYS CE . 7172 1 921 . 1 1 68 68 LYS N N 15 137.003 0.302 . 1 . . . . . 68 LYS N . 7172 1 922 . 1 1 69 69 HIS H H 1 9.187 0.006 . 1 . . . . . 69 HIS H . 7172 1 923 . 1 1 69 69 HIS HA H 1 4.899 0.001 . 1 . . . . . 69 HIS HA . 7172 1 924 . 1 1 69 69 HIS HB2 H 1 3.107 0.001 . 2 . . . . . 69 HIS HB2 . 7172 1 925 . 1 1 69 69 HIS HB3 H 1 2.584 0.008 . 2 . . . . . 69 HIS HB3 . 7172 1 926 . 1 1 69 69 HIS HD2 H 1 6.814 0.008 . 1 . . . . . 69 HIS HD2 . 7172 1 927 . 1 1 69 69 HIS HE1 H 1 7.703 0.02 . 1 . . . . . 69 HIS HE1 . 7172 1 928 . 1 1 69 69 HIS C C 13 170.858 0.02 . 1 . . . . . 69 HIS C . 7172 1 929 . 1 1 69 69 HIS CA C 13 55.191 0.026 . 1 . . . . . 69 HIS CA . 7172 1 930 . 1 1 69 69 HIS CB C 13 30.542 0.03 . 1 . . . . . 69 HIS CB . 7172 1 931 . 1 1 69 69 HIS CD2 C 13 125.526 0.02 . 1 . . . . . 69 HIS CD2 . 7172 1 932 . 1 1 69 69 HIS CE1 C 13 135.155 0.02 . 1 . . . . . 69 HIS CE1 . 7172 1 933 . 1 1 69 69 HIS N N 15 122.64 0.037 . 1 . . . . . 69 HIS N . 7172 1 934 . 1 1 70 70 SER H H 1 8.344 0.005 . 1 . . . . . 70 SER H . 7172 1 935 . 1 1 70 70 SER HA H 1 5.319 0.002 . 1 . . . . . 70 SER HA . 7172 1 936 . 1 1 70 70 SER HB2 H 1 3.654 0.002 . 1 . . . . . 70 SER HB2 . 7172 1 937 . 1 1 70 70 SER HB3 H 1 3.654 0.002 . 1 . . . . . 70 SER HB3 . 7172 1 938 . 1 1 70 70 SER C C 13 174.487 0.02 . 1 . . . . . 70 SER C . 7172 1 939 . 1 1 70 70 SER CA C 13 56.819 0.039 . 1 . . . . . 70 SER CA . 7172 1 940 . 1 1 70 70 SER CB C 13 64.945 0.076 . 1 . . . . . 70 SER CB . 7172 1 941 . 1 1 70 70 SER N N 15 114.058 0.014 . 1 . . . . . 70 SER N . 7172 1 942 . 1 1 71 71 HIS H H 1 8.904 0.005 . 1 . . . . . 71 HIS H . 7172 1 943 . 1 1 71 71 HIS HA H 1 4.93 0.006 . 1 . . . . . 71 HIS HA . 7172 1 944 . 1 1 71 71 HIS HB2 H 1 2.645 0.002 . 2 . . . . . 71 HIS HB2 . 7172 1 945 . 1 1 71 71 HIS HB3 H 1 2.507 0.007 . 2 . . . . . 71 HIS HB3 . 7172 1 946 . 1 1 71 71 HIS HD2 H 1 6.777 0.035 . 1 . . . . . 71 HIS HD2 . 7172 1 947 . 1 1 71 71 HIS HE1 H 1 7.946 0.02 . 1 . . . . . 71 HIS HE1 . 7172 1 948 . 1 1 71 71 HIS C C 13 174.153 0.02 . 1 . . . . . 71 HIS C . 7172 1 949 . 1 1 71 71 HIS CA C 13 55.953 0.115 . 1 . . . . . 71 HIS CA . 7172 1 950 . 1 1 71 71 HIS CB C 13 33.096 0.051 . 1 . . . . . 71 HIS CB . 7172 1 951 . 1 1 71 71 HIS CD2 C 13 128.616 0.02 . 1 . . . . . 71 HIS CD2 . 7172 1 952 . 1 1 71 71 HIS CE1 C 13 137.254 0.02 . 1 . . . . . 71 HIS CE1 . 7172 1 953 . 1 1 71 71 HIS N N 15 123.698 0.175 . 1 . . . . . 71 HIS N . 7172 1 954 . 1 1 72 72 GLU H H 1 9.212 0.005 . 1 . . . . . 72 GLU H . 7172 1 955 . 1 1 72 72 GLU HA H 1 3.591 0.007 . 1 . . . . . 72 GLU HA . 7172 1 956 . 1 1 72 72 GLU HB2 H 1 1.929 0.006 . 2 . . . . . 72 GLU HB2 . 7172 1 957 . 1 1 72 72 GLU HB3 H 1 1.418 0.007 . 2 . . . . . 72 GLU HB3 . 7172 1 958 . 1 1 72 72 GLU HG2 H 1 1.526 0.005 . 2 . . . . . 72 GLU HG2 . 7172 1 959 . 1 1 72 72 GLU HG3 H 1 1.412 0.009 . 2 . . . . . 72 GLU HG3 . 7172 1 960 . 1 1 72 72 GLU C C 13 175.72 0.02 . 1 . . . . . 72 GLU C . 7172 1 961 . 1 1 72 72 GLU CA C 13 56.872 0.034 . 1 . . . . . 72 GLU CA . 7172 1 962 . 1 1 72 72 GLU CB C 13 27.239 0.056 . 1 . . . . . 72 GLU CB . 7172 1 963 . 1 1 72 72 GLU CG C 13 35.573 0.005 . 1 . . . . . 72 GLU CG . 7172 1 964 . 1 1 72 72 GLU N N 15 127.365 0.018 . 1 . . . . . 72 GLU N . 7172 1 965 . 1 1 73 73 GLY H H 1 8.376 0.004 . 1 . . . . . 73 GLY H . 7172 1 966 . 1 1 73 73 GLY HA2 H 1 4.161 0.002 . 2 . . . . . 73 GLY HA2 . 7172 1 967 . 1 1 73 73 GLY HA3 H 1 3.495 0.006 . 2 . . . . . 73 GLY HA3 . 7172 1 968 . 1 1 73 73 GLY C C 13 173.688 0.02 . 1 . . . . . 73 GLY C . 7172 1 969 . 1 1 73 73 GLY CA C 13 45.224 0.03 . 1 . . . . . 73 GLY CA . 7172 1 970 . 1 1 73 73 GLY N N 15 105.021 0.008 . 1 . . . . . 73 GLY N . 7172 1 971 . 1 1 74 74 ASP H H 1 7.81 0.005 . 1 . . . . . 74 ASP H . 7172 1 972 . 1 1 74 74 ASP HA H 1 4.911 0.001 . 1 . . . . . 74 ASP HA . 7172 1 973 . 1 1 74 74 ASP HB2 H 1 2.591 0.003 . 1 . . . . . 74 ASP HB2 . 7172 1 974 . 1 1 74 74 ASP HB3 H 1 2.591 0.003 . 1 . . . . . 74 ASP HB3 . 7172 1 975 . 1 1 74 74 ASP C C 13 174.432 0.02 . 1 . . . . . 74 ASP C . 7172 1 976 . 1 1 74 74 ASP CA C 13 53.105 0.037 . 1 . . . . . 74 ASP CA . 7172 1 977 . 1 1 74 74 ASP CB C 13 42.915 0.044 . 1 . . . . . 74 ASP CB . 7172 1 978 . 1 1 74 74 ASP N N 15 121.729 0.009 . 1 . . . . . 74 ASP N . 7172 1 979 . 1 1 75 75 TYR H H 1 8.568 0.004 . 1 . . . . . 75 TYR H . 7172 1 980 . 1 1 75 75 TYR HA H 1 4.652 0.004 . 1 . . . . . 75 TYR HA . 7172 1 981 . 1 1 75 75 TYR HB2 H 1 2.891 0.005 . 2 . . . . . 75 TYR HB2 . 7172 1 982 . 1 1 75 75 TYR HB3 H 1 2.757 0.01 . 2 . . . . . 75 TYR HB3 . 7172 1 983 . 1 1 75 75 TYR HD1 H 1 6.909 0.005 . 1 . . . . . 75 TYR HD1 . 7172 1 984 . 1 1 75 75 TYR HD2 H 1 6.909 0.005 . 1 . . . . . 75 TYR HD2 . 7172 1 985 . 1 1 75 75 TYR HE1 H 1 6.651 0.005 . 1 . . . . . 75 TYR HE1 . 7172 1 986 . 1 1 75 75 TYR HE2 H 1 6.651 0.005 . 1 . . . . . 75 TYR HE2 . 7172 1 987 . 1 1 75 75 TYR C C 13 174.15 0.02 . 1 . . . . . 75 TYR C . 7172 1 988 . 1 1 75 75 TYR CA C 13 58.227 0.015 . 1 . . . . . 75 TYR CA . 7172 1 989 . 1 1 75 75 TYR CB C 13 39.112 0.037 . 1 . . . . . 75 TYR CB . 7172 1 990 . 1 1 75 75 TYR CD1 C 13 133.073 0.02 . 1 . . . . . 75 TYR CD1 . 7172 1 991 . 1 1 75 75 TYR CD2 C 13 133.073 0.02 . 1 . . . . . 75 TYR CD2 . 7172 1 992 . 1 1 75 75 TYR CE1 C 13 118.218 0.02 . 1 . . . . . 75 TYR CE1 . 7172 1 993 . 1 1 75 75 TYR CE2 C 13 118.218 0.02 . 1 . . . . . 75 TYR CE2 . 7172 1 994 . 1 1 75 75 TYR N N 15 123.61 0.018 . 1 . . . . . 75 TYR N . 7172 1 995 . 1 1 76 76 LEU H H 1 8.556 0.006 . 1 . . . . . 76 LEU H . 7172 1 996 . 1 1 76 76 LEU HA H 1 4.272 0.005 . 1 . . . . . 76 LEU HA . 7172 1 997 . 1 1 76 76 LEU HB2 H 1 1.163 0.006 . 2 . . . . . 76 LEU HB2 . 7172 1 998 . 1 1 76 76 LEU HB3 H 1 0.547 0.008 . 2 . . . . . 76 LEU HB3 . 7172 1 999 . 1 1 76 76 LEU HG H 1 1.314 0.004 . 1 . . . . . 76 LEU HG . 7172 1 1000 . 1 1 76 76 LEU HD11 H 1 0.782 0.02 . 2 . . . . . 76 LEU HD1 . 7172 1 1001 . 1 1 76 76 LEU HD12 H 1 0.782 0.02 . 2 . . . . . 76 LEU HD1 . 7172 1 1002 . 1 1 76 76 LEU HD13 H 1 0.782 0.02 . 2 . . . . . 76 LEU HD1 . 7172 1 1003 . 1 1 76 76 LEU HD21 H 1 0.781 0.004 . 2 . . . . . 76 LEU HD2 . 7172 1 1004 . 1 1 76 76 LEU HD22 H 1 0.781 0.004 . 2 . . . . . 76 LEU HD2 . 7172 1 1005 . 1 1 76 76 LEU HD23 H 1 0.781 0.004 . 2 . . . . . 76 LEU HD2 . 7172 1 1006 . 1 1 76 76 LEU C C 13 174.287 0.02 . 1 . . . . . 76 LEU C . 7172 1 1007 . 1 1 76 76 LEU CA C 13 53.799 0.043 . 1 . . . . . 76 LEU CA . 7172 1 1008 . 1 1 76 76 LEU CB C 13 45.179 0.023 . 1 . . . . . 76 LEU CB . 7172 1 1009 . 1 1 76 76 LEU CG C 13 27.649 0.053 . 1 . . . . . 76 LEU CG . 7172 1 1010 . 1 1 76 76 LEU CD1 C 13 25.915 0.002 . 2 . . . . . 76 LEU CD1 . 7172 1 1011 . 1 1 76 76 LEU CD2 C 13 24.005 0.024 . 2 . . . . . 76 LEU CD2 . 7172 1 1012 . 1 1 76 76 LEU N N 15 130.593 0.01 . 1 . . . . . 76 LEU N . 7172 1 1013 . 1 1 77 77 GLU H H 1 8.079 0.005 . 1 . . . . . 77 GLU H . 7172 1 1014 . 1 1 77 77 GLU HA H 1 4.446 0.004 . 1 . . . . . 77 GLU HA . 7172 1 1015 . 1 1 77 77 GLU HB2 H 1 1.956 0.005 . 2 . . . . . 77 GLU HB2 . 7172 1 1016 . 1 1 77 77 GLU HB3 H 1 1.508 0.008 . 2 . . . . . 77 GLU HB3 . 7172 1 1017 . 1 1 77 77 GLU HG2 H 1 2.176 0.005 . 2 . . . . . 77 GLU HG2 . 7172 1 1018 . 1 1 77 77 GLU HG3 H 1 1.906 0.003 . 2 . . . . . 77 GLU HG3 . 7172 1 1019 . 1 1 77 77 GLU C C 13 175.076 0.02 . 1 . . . . . 77 GLU C . 7172 1 1020 . 1 1 77 77 GLU CA C 13 54.772 0.064 . 1 . . . . . 77 GLU CA . 7172 1 1021 . 1 1 77 77 GLU CB C 13 30.399 0.039 . 1 . . . . . 77 GLU CB . 7172 1 1022 . 1 1 77 77 GLU CG C 13 35.937 0.022 . 1 . . . . . 77 GLU CG . 7172 1 1023 . 1 1 77 77 GLU N N 15 119.097 0.02 . 1 . . . . . 77 GLU N . 7172 1 1024 . 1 1 78 78 SER H H 1 7.803 0.007 . 1 . . . . . 78 SER H . 7172 1 1025 . 1 1 78 78 SER HA H 1 4.788 0.002 . 1 . . . . . 78 SER HA . 7172 1 1026 . 1 1 78 78 SER HB2 H 1 3.91 0.004 . 2 . . . . . 78 SER HB2 . 7172 1 1027 . 1 1 78 78 SER HB3 H 1 3.609 0.006 . 2 . . . . . 78 SER HB3 . 7172 1 1028 . 1 1 78 78 SER C C 13 173.174 0.02 . 1 . . . . . 78 SER C . 7172 1 1029 . 1 1 78 78 SER CA C 13 57.733 0.006 . 1 . . . . . 78 SER CA . 7172 1 1030 . 1 1 78 78 SER CB C 13 65.546 0.027 . 1 . . . . . 78 SER CB . 7172 1 1031 . 1 1 78 78 SER N N 15 119.794 0.011 . 1 . . . . . 78 SER N . 7172 1 1032 . 1 1 79 79 VAL H H 1 9.338 0.006 . 1 . . . . . 79 VAL H . 7172 1 1033 . 1 1 79 79 VAL HA H 1 4.56 0.006 . 1 . . . . . 79 VAL HA . 7172 1 1034 . 1 1 79 79 VAL HB H 1 2.357 0.005 . 1 . . . . . 79 VAL HB . 7172 1 1035 . 1 1 79 79 VAL HG11 H 1 1.038 0.009 . 2 . . . . . 79 VAL HG1 . 7172 1 1036 . 1 1 79 79 VAL HG12 H 1 1.038 0.009 . 2 . . . . . 79 VAL HG1 . 7172 1 1037 . 1 1 79 79 VAL HG13 H 1 1.038 0.009 . 2 . . . . . 79 VAL HG1 . 7172 1 1038 . 1 1 79 79 VAL HG21 H 1 0.935 0.004 . 2 . . . . . 79 VAL HG2 . 7172 1 1039 . 1 1 79 79 VAL HG22 H 1 0.935 0.004 . 2 . . . . . 79 VAL HG2 . 7172 1 1040 . 1 1 79 79 VAL HG23 H 1 0.935 0.004 . 2 . . . . . 79 VAL HG2 . 7172 1 1041 . 1 1 79 79 VAL C C 13 174.983 0.02 . 1 . . . . . 79 VAL C . 7172 1 1042 . 1 1 79 79 VAL CA C 13 63.88 0.034 . 1 . . . . . 79 VAL CA . 7172 1 1043 . 1 1 79 79 VAL CB C 13 31.386 0.207 . 1 . . . . . 79 VAL CB . 7172 1 1044 . 1 1 79 79 VAL CG1 C 13 22.774 0.002 . 2 . . . . . 79 VAL CG1 . 7172 1 1045 . 1 1 79 79 VAL CG2 C 13 22.575 0.025 . 2 . . . . . 79 VAL CG2 . 7172 1 1046 . 1 1 79 79 VAL N N 15 127.079 0.01 . 1 . . . . . 79 VAL N . 7172 1 1047 . 1 1 80 80 VAL H H 1 9.345 0.01 . 1 . . . . . 80 VAL H . 7172 1 1048 . 1 1 80 80 VAL HA H 1 4.731 0.007 . 1 . . . . . 80 VAL HA . 7172 1 1049 . 1 1 80 80 VAL HB H 1 2.053 0.01 . 1 . . . . . 80 VAL HB . 7172 1 1050 . 1 1 80 80 VAL HG11 H 1 0.978 0.007 . 2 . . . . . 80 VAL HG1 . 7172 1 1051 . 1 1 80 80 VAL HG12 H 1 0.978 0.007 . 2 . . . . . 80 VAL HG1 . 7172 1 1052 . 1 1 80 80 VAL HG13 H 1 0.978 0.007 . 2 . . . . . 80 VAL HG1 . 7172 1 1053 . 1 1 80 80 VAL HG21 H 1 0.804 0.009 . 2 . . . . . 80 VAL HG2 . 7172 1 1054 . 1 1 80 80 VAL HG22 H 1 0.804 0.009 . 2 . . . . . 80 VAL HG2 . 7172 1 1055 . 1 1 80 80 VAL HG23 H 1 0.804 0.009 . 2 . . . . . 80 VAL HG2 . 7172 1 1056 . 1 1 80 80 VAL C C 13 174.294 0.02 . 1 . . . . . 80 VAL C . 7172 1 1057 . 1 1 80 80 VAL CA C 13 60.089 0.096 . 1 . . . . . 80 VAL CA . 7172 1 1058 . 1 1 80 80 VAL CB C 13 35.024 0.016 . 1 . . . . . 80 VAL CB . 7172 1 1059 . 1 1 80 80 VAL CG1 C 13 21.635 0.005 . 2 . . . . . 80 VAL CG1 . 7172 1 1060 . 1 1 80 80 VAL CG2 C 13 21.893 0.01 . 2 . . . . . 80 VAL CG2 . 7172 1 1061 . 1 1 80 80 VAL N N 15 124.84 0.024 . 1 . . . . . 80 VAL N . 7172 1 1062 . 1 1 81 81 PHE H H 1 8.308 0.005 . 1 . . . . . 81 PHE H . 7172 1 1063 . 1 1 81 81 PHE HA H 1 5.284 0.001 . 1 . . . . . 81 PHE HA . 7172 1 1064 . 1 1 81 81 PHE HB2 H 1 2.677 0.006 . 1 . . . . . 81 PHE HB2 . 7172 1 1065 . 1 1 81 81 PHE HB3 H 1 2.677 0.006 . 1 . . . . . 81 PHE HB3 . 7172 1 1066 . 1 1 81 81 PHE HD1 H 1 6.191 0.006 . 1 . . . . . 81 PHE HD1 . 7172 1 1067 . 1 1 81 81 PHE HD2 H 1 6.191 0.006 . 1 . . . . . 81 PHE HD2 . 7172 1 1068 . 1 1 81 81 PHE HE1 H 1 6.795 0.005 . 1 . . . . . 81 PHE HE1 . 7172 1 1069 . 1 1 81 81 PHE HE2 H 1 6.795 0.005 . 1 . . . . . 81 PHE HE2 . 7172 1 1070 . 1 1 81 81 PHE HZ H 1 7.093 0.02 . 1 . . . . . 81 PHE HZ . 7172 1 1071 . 1 1 81 81 PHE C C 13 173.166 0.02 . 1 . . . . . 81 PHE C . 7172 1 1072 . 1 1 81 81 PHE CA C 13 55.016 0.041 . 1 . . . . . 81 PHE CA . 7172 1 1073 . 1 1 81 81 PHE CB C 13 42.483 0.178 . 1 . . . . . 81 PHE CB . 7172 1 1074 . 1 1 81 81 PHE CD1 C 13 132.516 0.02 . 1 . . . . . 81 PHE CD1 . 7172 1 1075 . 1 1 81 81 PHE CD2 C 13 132.516 0.02 . 1 . . . . . 81 PHE CD2 . 7172 1 1076 . 1 1 81 81 PHE CE1 C 13 130.338 0.02 . 1 . . . . . 81 PHE CE1 . 7172 1 1077 . 1 1 81 81 PHE CE2 C 13 130.338 0.02 . 1 . . . . . 81 PHE CE2 . 7172 1 1078 . 1 1 81 81 PHE CZ C 13 129.334 0.02 . 1 . . . . . 81 PHE CZ . 7172 1 1079 . 1 1 81 81 PHE N N 15 125.577 0.015 . 1 . . . . . 81 PHE N . 7172 1 1080 . 1 1 82 82 ILE H H 1 8.854 0.005 . 1 . . . . . 82 ILE H . 7172 1 1081 . 1 1 82 82 ILE HA H 1 4.671 0.003 . 1 . . . . . 82 ILE HA . 7172 1 1082 . 1 1 82 82 ILE HB H 1 1.274 0.009 . 1 . . . . . 82 ILE HB . 7172 1 1083 . 1 1 82 82 ILE HG12 H 1 1.357 0.004 . 2 . . . . . 82 ILE HG12 . 7172 1 1084 . 1 1 82 82 ILE HG13 H 1 0.59 0.009 . 2 . . . . . 82 ILE HG13 . 7172 1 1085 . 1 1 82 82 ILE HG21 H 1 0.454 0.006 . 1 . . . . . 82 ILE HG2 . 7172 1 1086 . 1 1 82 82 ILE HG22 H 1 0.454 0.006 . 1 . . . . . 82 ILE HG2 . 7172 1 1087 . 1 1 82 82 ILE HG23 H 1 0.454 0.006 . 1 . . . . . 82 ILE HG2 . 7172 1 1088 . 1 1 82 82 ILE HD11 H 1 0.5 0.007 . 1 . . . . . 82 ILE HD1 . 7172 1 1089 . 1 1 82 82 ILE HD12 H 1 0.5 0.007 . 1 . . . . . 82 ILE HD1 . 7172 1 1090 . 1 1 82 82 ILE HD13 H 1 0.5 0.007 . 1 . . . . . 82 ILE HD1 . 7172 1 1091 . 1 1 82 82 ILE C C 13 173.111 0.02 . 1 . . . . . 82 ILE C . 7172 1 1092 . 1 1 82 82 ILE CA C 13 58.675 0.043 . 1 . . . . . 82 ILE CA . 7172 1 1093 . 1 1 82 82 ILE CB C 13 41.967 0.062 . 1 . . . . . 82 ILE CB . 7172 1 1094 . 1 1 82 82 ILE CG1 C 13 27.718 0.031 . 1 . . . . . 82 ILE CG1 . 7172 1 1095 . 1 1 82 82 ILE CG2 C 13 18.441 0.021 . 1 . . . . . 82 ILE CG2 . 7172 1 1096 . 1 1 82 82 ILE CD1 C 13 14.751 0.018 . 1 . . . . . 82 ILE CD1 . 7172 1 1097 . 1 1 82 82 ILE N N 15 127.507 0.01 . 1 . . . . . 82 ILE N . 7172 1 1098 . 1 1 83 83 TYR H H 1 8.896 0.005 . 1 . . . . . 83 TYR H . 7172 1 1099 . 1 1 83 83 TYR HA H 1 5.527 0.004 . 1 . . . . . 83 TYR HA . 7172 1 1100 . 1 1 83 83 TYR HB2 H 1 3.182 0.005 . 2 . . . . . 83 TYR HB2 . 7172 1 1101 . 1 1 83 83 TYR HB3 H 1 2.995 0.004 . 2 . . . . . 83 TYR HB3 . 7172 1 1102 . 1 1 83 83 TYR HD1 H 1 7.215 0.004 . 1 . . . . . 83 TYR HD1 . 7172 1 1103 . 1 1 83 83 TYR HD2 H 1 7.215 0.004 . 1 . . . . . 83 TYR HD2 . 7172 1 1104 . 1 1 83 83 TYR HE1 H 1 6.627 0.008 . 1 . . . . . 83 TYR HE1 . 7172 1 1105 . 1 1 83 83 TYR HE2 H 1 6.627 0.008 . 1 . . . . . 83 TYR HE2 . 7172 1 1106 . 1 1 83 83 TYR C C 13 174.132 0.02 . 1 . . . . . 83 TYR C . 7172 1 1107 . 1 1 83 83 TYR CA C 13 53.519 0.031 . 1 . . . . . 83 TYR CA . 7172 1 1108 . 1 1 83 83 TYR CB C 13 39.781 0.06 . 1 . . . . . 83 TYR CB . 7172 1 1109 . 1 1 83 83 TYR CD1 C 13 131.795 0.02 . 1 . . . . . 83 TYR CD1 . 7172 1 1110 . 1 1 83 83 TYR CD2 C 13 131.795 0.02 . 1 . . . . . 83 TYR CD2 . 7172 1 1111 . 1 1 83 83 TYR CE1 C 13 118.508 0.02 . 1 . . . . . 83 TYR CE1 . 7172 1 1112 . 1 1 83 83 TYR CE2 C 13 118.508 0.02 . 1 . . . . . 83 TYR CE2 . 7172 1 1113 . 1 1 83 83 TYR N N 15 129.785 0.006 . 1 . . . . . 83 TYR N . 7172 1 1114 . 1 1 84 84 SER H H 1 9.147 0.008 . 1 . . . . . 84 SER H . 7172 1 1115 . 1 1 84 84 SER HA H 1 4.902 0.002 . 1 . . . . . 84 SER HA . 7172 1 1116 . 1 1 84 84 SER HB2 H 1 3.667 0.002 . 2 . . . . . 84 SER HB2 . 7172 1 1117 . 1 1 84 84 SER HB3 H 1 3.059 0.003 . 2 . . . . . 84 SER HB3 . 7172 1 1118 . 1 1 84 84 SER C C 13 171.175 0.02 . 1 . . . . . 84 SER C . 7172 1 1119 . 1 1 84 84 SER CA C 13 55.021 0.032 . 1 . . . . . 84 SER CA . 7172 1 1120 . 1 1 84 84 SER CB C 13 65.991 0.051 . 1 . . . . . 84 SER CB . 7172 1 1121 . 1 1 84 84 SER N N 15 123.401 0.035 . 1 . . . . . 84 SER N . 7172 1 1122 . 1 1 85 85 MET HB2 H 1 1.728 0.02 . 2 . . . . . 85 MET HB2 . 7172 1 1123 . 1 1 85 85 MET HB3 H 1 1.304 0.02 . 2 . . . . . 85 MET HB3 . 7172 1 1124 . 1 1 85 85 MET HG2 H 1 2.245 0.004 . 1 . . . . . 85 MET HG2 . 7172 1 1125 . 1 1 85 85 MET HG3 H 1 2.245 0.004 . 1 . . . . . 85 MET HG3 . 7172 1 1126 . 1 1 85 85 MET HE1 H 1 1.62 0.02 . 1 . . . . . 85 MET HE . 7172 1 1127 . 1 1 85 85 MET HE2 H 1 1.62 0.02 . 1 . . . . . 85 MET HE . 7172 1 1128 . 1 1 85 85 MET HE3 H 1 1.62 0.02 . 1 . . . . . 85 MET HE . 7172 1 1129 . 1 1 85 85 MET CG C 13 32.531 0.015 . 1 . . . . . 85 MET CG . 7172 1 1130 . 1 1 85 85 MET CE C 13 17.307 0.02 . 1 . . . . . 85 MET CE . 7172 1 1131 . 1 1 86 86 PRO HA H 1 4.642 0.002 . 1 . . . . . 86 PRO HA . 7172 1 1132 . 1 1 86 86 PRO HB2 H 1 1.888 0.01 . 2 . . . . . 86 PRO HB2 . 7172 1 1133 . 1 1 86 86 PRO HB3 H 1 2.07 0.005 . 2 . . . . . 86 PRO HB3 . 7172 1 1134 . 1 1 86 86 PRO HG2 H 1 1.567 0.005 . 1 . . . . . 86 PRO HG2 . 7172 1 1135 . 1 1 86 86 PRO HG3 H 1 1.567 0.005 . 1 . . . . . 86 PRO HG3 . 7172 1 1136 . 1 1 86 86 PRO HD2 H 1 3.296 0.024 . 2 . . . . . 86 PRO HD2 . 7172 1 1137 . 1 1 86 86 PRO HD3 H 1 3.207 0.005 . 2 . . . . . 86 PRO HD3 . 7172 1 1138 . 1 1 86 86 PRO C C 13 177.103 0.02 . 1 . . . . . 86 PRO C . 7172 1 1139 . 1 1 86 86 PRO CA C 13 62.355 0.04 . 1 . . . . . 86 PRO CA . 7172 1 1140 . 1 1 86 86 PRO CB C 13 31.737 0.034 . 1 . . . . . 86 PRO CB . 7172 1 1141 . 1 1 86 86 PRO CG C 13 27.432 0.008 . 1 . . . . . 86 PRO CG . 7172 1 1142 . 1 1 86 86 PRO CD C 13 50.163 0.015 . 1 . . . . . 86 PRO CD . 7172 1 1143 . 1 1 87 87 GLY H H 1 8.323 0.005 . 1 . . . . . 87 GLY H . 7172 1 1144 . 1 1 87 87 GLY HA2 H 1 3.756 0.02 . 1 . . . . . 87 GLY HA2 . 7172 1 1145 . 1 1 87 87 GLY HA3 H 1 3.756 0.02 . 1 . . . . . 87 GLY HA3 . 7172 1 1146 . 1 1 87 87 GLY C C 13 174.804 0.02 . 1 . . . . . 87 GLY C . 7172 1 1147 . 1 1 87 87 GLY CA C 13 46.559 0.036 . 1 . . . . . 87 GLY CA . 7172 1 1148 . 1 1 87 87 GLY N N 15 110.624 0.033 . 1 . . . . . 87 GLY N . 7172 1 1149 . 1 1 88 88 TYR H H 1 8.206 0.004 . 1 . . . . . 88 TYR H . 7172 1 1150 . 1 1 88 88 TYR HA H 1 4.504 0.005 . 1 . . . . . 88 TYR HA . 7172 1 1151 . 1 1 88 88 TYR HB2 H 1 3.034 0.009 . 1 . . . . . 88 TYR HB2 . 7172 1 1152 . 1 1 88 88 TYR HB3 H 1 3.034 0.009 . 1 . . . . . 88 TYR HB3 . 7172 1 1153 . 1 1 88 88 TYR HD1 H 1 7.068 0.004 . 1 . . . . . 88 TYR HD1 . 7172 1 1154 . 1 1 88 88 TYR HD2 H 1 7.068 0.004 . 1 . . . . . 88 TYR HD2 . 7172 1 1155 . 1 1 88 88 TYR HE1 H 1 6.805 0.006 . 1 . . . . . 88 TYR HE1 . 7172 1 1156 . 1 1 88 88 TYR HE2 H 1 6.805 0.006 . 1 . . . . . 88 TYR HE2 . 7172 1 1157 . 1 1 88 88 TYR C C 13 175.932 0.02 . 1 . . . . . 88 TYR C . 7172 1 1158 . 1 1 88 88 TYR CA C 13 58.477 0.029 . 1 . . . . . 88 TYR CA . 7172 1 1159 . 1 1 88 88 TYR CB C 13 38.28 0.039 . 1 . . . . . 88 TYR CB . 7172 1 1160 . 1 1 88 88 TYR CD1 C 13 133.24 0.02 . 1 . . . . . 88 TYR CD1 . 7172 1 1161 . 1 1 88 88 TYR CD2 C 13 133.24 0.02 . 1 . . . . . 88 TYR CD2 . 7172 1 1162 . 1 1 88 88 TYR CE1 C 13 118.374 0.02 . 1 . . . . . 88 TYR CE1 . 7172 1 1163 . 1 1 88 88 TYR CE2 C 13 118.374 0.02 . 1 . . . . . 88 TYR CE2 . 7172 1 1164 . 1 1 88 88 TYR N N 15 119.655 0.033 . 1 . . . . . 88 TYR N . 7172 1 1165 . 1 1 89 89 THR H H 1 7.79 0.004 . 1 . . . . . 89 THR H . 7172 1 1166 . 1 1 89 89 THR HA H 1 4.218 0.002 . 1 . . . . . 89 THR HA . 7172 1 1167 . 1 1 89 89 THR HB H 1 4.16 0.002 . 1 . . . . . 89 THR HB . 7172 1 1168 . 1 1 89 89 THR HG21 H 1 1.113 0.005 . 1 . . . . . 89 THR HG2 . 7172 1 1169 . 1 1 89 89 THR HG22 H 1 1.113 0.005 . 1 . . . . . 89 THR HG2 . 7172 1 1170 . 1 1 89 89 THR HG23 H 1 1.113 0.005 . 1 . . . . . 89 THR HG2 . 7172 1 1171 . 1 1 89 89 THR C C 13 174.388 0.02 . 1 . . . . . 89 THR C . 7172 1 1172 . 1 1 89 89 THR CA C 13 62.399 0.06 . 1 . . . . . 89 THR CA . 7172 1 1173 . 1 1 89 89 THR CB C 13 69.423 0.062 . 1 . . . . . 89 THR CB . 7172 1 1174 . 1 1 89 89 THR CG2 C 13 21.976 0.022 . 1 . . . . . 89 THR CG2 . 7172 1 1175 . 1 1 89 89 THR N N 15 112.547 0.005 . 1 . . . . . 89 THR N . 7172 1 1176 . 1 1 90 90 CYS H H 1 7.885 0.006 . 1 . . . . . 90 CYS H . 7172 1 1177 . 1 1 90 90 CYS HA H 1 4.535 0.003 . 1 . . . . . 90 CYS HA . 7172 1 1178 . 1 1 90 90 CYS HB2 H 1 2.797 0.002 . 2 . . . . . 90 CYS HB2 . 7172 1 1179 . 1 1 90 90 CYS HB3 H 1 2.752 0.004 . 2 . . . . . 90 CYS HB3 . 7172 1 1180 . 1 1 90 90 CYS C C 13 174.592 0.02 . 1 . . . . . 90 CYS C . 7172 1 1181 . 1 1 90 90 CYS CA C 13 58.704 0.256 . 1 . . . . . 90 CYS CA . 7172 1 1182 . 1 1 90 90 CYS CB C 13 28.923 0.014 . 1 . . . . . 90 CYS CB . 7172 1 1183 . 1 1 90 90 CYS N N 15 121.498 0.037 . 1 . . . . . 90 CYS N . 7172 1 1184 . 1 1 91 91 SER H H 1 8.85 0.006 . 1 . . . . . 91 SER H . 7172 1 1185 . 1 1 91 91 SER HA H 1 4.484 0.004 . 1 . . . . . 91 SER HA . 7172 1 1186 . 1 1 91 91 SER HB2 H 1 4.322 0.003 . 2 . . . . . 91 SER HB2 . 7172 1 1187 . 1 1 91 91 SER HB3 H 1 4.096 0.015 . 2 . . . . . 91 SER HB3 . 7172 1 1188 . 1 1 91 91 SER C C 13 175.156 0.02 . 1 . . . . . 91 SER C . 7172 1 1189 . 1 1 91 91 SER CA C 13 58.134 0.054 . 1 . . . . . 91 SER CA . 7172 1 1190 . 1 1 91 91 SER CB C 13 64.756 0.016 . 1 . . . . . 91 SER CB . 7172 1 1191 . 1 1 91 91 SER N N 15 121.472 0.022 . 1 . . . . . 91 SER N . 7172 1 1192 . 1 1 92 92 ILE H H 1 8.726 0.006 . 1 . . . . . 92 ILE H . 7172 1 1193 . 1 1 92 92 ILE HA H 1 3.81 0.007 . 1 . . . . . 92 ILE HA . 7172 1 1194 . 1 1 92 92 ILE HB H 1 1.888 0.007 . 1 . . . . . 92 ILE HB . 7172 1 1195 . 1 1 92 92 ILE HG12 H 1 1.621 0.008 . 2 . . . . . 92 ILE HG12 . 7172 1 1196 . 1 1 92 92 ILE HG13 H 1 1.299 0.004 . 2 . . . . . 92 ILE HG13 . 7172 1 1197 . 1 1 92 92 ILE HG21 H 1 0.959 0.005 . 1 . . . . . 92 ILE HG2 . 7172 1 1198 . 1 1 92 92 ILE HG22 H 1 0.959 0.005 . 1 . . . . . 92 ILE HG2 . 7172 1 1199 . 1 1 92 92 ILE HG23 H 1 0.959 0.005 . 1 . . . . . 92 ILE HG2 . 7172 1 1200 . 1 1 92 92 ILE HD11 H 1 0.915 0.007 . 1 . . . . . 92 ILE HD1 . 7172 1 1201 . 1 1 92 92 ILE HD12 H 1 0.915 0.007 . 1 . . . . . 92 ILE HD1 . 7172 1 1202 . 1 1 92 92 ILE HD13 H 1 0.915 0.007 . 1 . . . . . 92 ILE HD1 . 7172 1 1203 . 1 1 92 92 ILE C C 13 177.929 0.02 . 1 . . . . . 92 ILE C . 7172 1 1204 . 1 1 92 92 ILE CA C 13 64.493 0.136 . 1 . . . . . 92 ILE CA . 7172 1 1205 . 1 1 92 92 ILE CB C 13 37.897 0.034 . 1 . . . . . 92 ILE CB . 7172 1 1206 . 1 1 92 92 ILE CG1 C 13 28.992 0.028 . 1 . . . . . 92 ILE CG1 . 7172 1 1207 . 1 1 92 92 ILE CG2 C 13 17.542 0.01 . 1 . . . . . 92 ILE CG2 . 7172 1 1208 . 1 1 92 92 ILE CD1 C 13 12.952 0.033 . 1 . . . . . 92 ILE CD1 . 7172 1 1209 . 1 1 92 92 ILE N N 15 123.985 0.014 . 1 . . . . . 92 ILE N . 7172 1 1210 . 1 1 93 93 ARG H H 1 8.291 0.006 . 1 . . . . . 93 ARG H . 7172 1 1211 . 1 1 93 93 ARG HA H 1 4.081 0.004 . 1 . . . . . 93 ARG HA . 7172 1 1212 . 1 1 93 93 ARG HB2 H 1 1.902 0.004 . 2 . . . . . 93 ARG HB2 . 7172 1 1213 . 1 1 93 93 ARG HB3 H 1 1.792 0.008 . 2 . . . . . 93 ARG HB3 . 7172 1 1214 . 1 1 93 93 ARG HG2 H 1 1.719 0.005 . 2 . . . . . 93 ARG HG2 . 7172 1 1215 . 1 1 93 93 ARG HG3 H 1 1.592 0.01 . 2 . . . . . 93 ARG HG3 . 7172 1 1216 . 1 1 93 93 ARG HD2 H 1 3.243 0.01 . 1 . . . . . 93 ARG HD2 . 7172 1 1217 . 1 1 93 93 ARG HD3 H 1 3.243 0.01 . 1 . . . . . 93 ARG HD3 . 7172 1 1218 . 1 1 93 93 ARG HE H 1 7.502 0.001 . 1 . . . . . 93 ARG HE . 7172 1 1219 . 1 1 93 93 ARG C C 13 178.251 0.02 . 1 . . . . . 93 ARG C . 7172 1 1220 . 1 1 93 93 ARG CA C 13 59.384 0.045 . 1 . . . . . 93 ARG CA . 7172 1 1221 . 1 1 93 93 ARG CB C 13 30.006 0.093 . 1 . . . . . 93 ARG CB . 7172 1 1222 . 1 1 93 93 ARG CG C 13 27.429 0.004 . 1 . . . . . 93 ARG CG . 7172 1 1223 . 1 1 93 93 ARG CD C 13 43.282 0.057 . 1 . . . . . 93 ARG CD . 7172 1 1224 . 1 1 93 93 ARG N N 15 120.792 0.007 . 1 . . . . . 93 ARG N . 7172 1 1225 . 1 1 93 93 ARG NE N 15 85.05 0.02 . 1 . . . . . 93 ARG NE . 7172 1 1226 . 1 1 94 94 GLU H H 1 7.872 0.007 . 1 . . . . . 94 GLU H . 7172 1 1227 . 1 1 94 94 GLU HA H 1 3.979 0.02 . 1 . . . . . 94 GLU HA . 7172 1 1228 . 1 1 94 94 GLU HB2 H 1 2.233 0.003 . 1 . . . . . 94 GLU HB2 . 7172 1 1229 . 1 1 94 94 GLU HB3 H 1 2.233 0.003 . 1 . . . . . 94 GLU HB3 . 7172 1 1230 . 1 1 94 94 GLU HG2 H 1 2.474 0.005 . 2 . . . . . 94 GLU HG2 . 7172 1 1231 . 1 1 94 94 GLU HG3 H 1 2.316 0.006 . 2 . . . . . 94 GLU HG3 . 7172 1 1232 . 1 1 94 94 GLU C C 13 178.126 0.02 . 1 . . . . . 94 GLU C . 7172 1 1233 . 1 1 94 94 GLU CA C 13 60.575 0.163 . 1 . . . . . 94 GLU CA . 7172 1 1234 . 1 1 94 94 GLU CB C 13 30.299 0.05 . 1 . . . . . 94 GLU CB . 7172 1 1235 . 1 1 94 94 GLU CG C 13 37.856 0.007 . 1 . . . . . 94 GLU CG . 7172 1 1236 . 1 1 94 94 GLU N N 15 119.822 0.017 . 1 . . . . . 94 GLU N . 7172 1 1237 . 1 1 95 95 ARG H H 1 8.192 0.006 . 1 . . . . . 95 ARG H . 7172 1 1238 . 1 1 95 95 ARG HA H 1 4.015 0.005 . 1 . . . . . 95 ARG HA . 7172 1 1239 . 1 1 95 95 ARG HB2 H 1 1.941 0.017 . 1 . . . . . 95 ARG HB2 . 7172 1 1240 . 1 1 95 95 ARG HB3 H 1 1.941 0.017 . 1 . . . . . 95 ARG HB3 . 7172 1 1241 . 1 1 95 95 ARG HG2 H 1 1.742 0.006 . 2 . . . . . 95 ARG HG2 . 7172 1 1242 . 1 1 95 95 ARG HG3 H 1 1.667 0.006 . 2 . . . . . 95 ARG HG3 . 7172 1 1243 . 1 1 95 95 ARG HD2 H 1 3.169 0.015 . 1 . . . . . 95 ARG HD2 . 7172 1 1244 . 1 1 95 95 ARG HD3 H 1 3.169 0.015 . 1 . . . . . 95 ARG HD3 . 7172 1 1245 . 1 1 95 95 ARG HE H 1 6.917 0.001 . 1 . . . . . 95 ARG HE . 7172 1 1246 . 1 1 95 95 ARG C C 13 179.326 0.02 . 1 . . . . . 95 ARG C . 7172 1 1247 . 1 1 95 95 ARG CA C 13 60.277 0.018 . 1 . . . . . 95 ARG CA . 7172 1 1248 . 1 1 95 95 ARG CB C 13 30.329 0.045 . 1 . . . . . 95 ARG CB . 7172 1 1249 . 1 1 95 95 ARG CG C 13 28.263 0.037 . 1 . . . . . 95 ARG CG . 7172 1 1250 . 1 1 95 95 ARG CD C 13 43.84 0.058 . 1 . . . . . 95 ARG CD . 7172 1 1251 . 1 1 95 95 ARG N N 15 118.798 0.01 . 1 . . . . . 95 ARG N . 7172 1 1252 . 1 1 95 95 ARG NE N 15 84.4 0.253 . 1 . . . . . 95 ARG NE . 7172 1 1253 . 1 1 96 96 MET H H 1 8.479 0.005 . 1 . . . . . 96 MET H . 7172 1 1254 . 1 1 96 96 MET HA H 1 4.2 0.005 . 1 . . . . . 96 MET HA . 7172 1 1255 . 1 1 96 96 MET HB2 H 1 2.218 0.01 . 1 . . . . . 96 MET HB2 . 7172 1 1256 . 1 1 96 96 MET HB3 H 1 2.218 0.01 . 1 . . . . . 96 MET HB3 . 7172 1 1257 . 1 1 96 96 MET HG2 H 1 2.783 0.003 . 2 . . . . . 96 MET HG2 . 7172 1 1258 . 1 1 96 96 MET HG3 H 1 2.579 0.005 . 2 . . . . . 96 MET HG3 . 7172 1 1259 . 1 1 96 96 MET HE1 H 1 2.074 0.02 . 1 . . . . . 96 MET HE . 7172 1 1260 . 1 1 96 96 MET HE2 H 1 2.074 0.02 . 1 . . . . . 96 MET HE . 7172 1 1261 . 1 1 96 96 MET HE3 H 1 2.074 0.02 . 1 . . . . . 96 MET HE . 7172 1 1262 . 1 1 96 96 MET C C 13 179.439 0.02 . 1 . . . . . 96 MET C . 7172 1 1263 . 1 1 96 96 MET CA C 13 58.835 0.073 . 1 . . . . . 96 MET CA . 7172 1 1264 . 1 1 96 96 MET CB C 13 32.133 0.036 . 1 . . . . . 96 MET CB . 7172 1 1265 . 1 1 96 96 MET CG C 13 32.238 0.019 . 1 . . . . . 96 MET CG . 7172 1 1266 . 1 1 96 96 MET CE C 13 16.924 0.02 . 1 . . . . . 96 MET CE . 7172 1 1267 . 1 1 96 96 MET N N 15 119.288 0.003 . 1 . . . . . 96 MET N . 7172 1 1268 . 1 1 97 97 LEU H H 1 8.302 0.006 . 1 . . . . . 97 LEU H . 7172 1 1269 . 1 1 97 97 LEU HA H 1 4.073 0.007 . 1 . . . . . 97 LEU HA . 7172 1 1270 . 1 1 97 97 LEU HB2 H 1 1.291 0.01 . 2 . . . . . 97 LEU HB2 . 7172 1 1271 . 1 1 97 97 LEU HB3 H 1 1.847 0.006 . 2 . . . . . 97 LEU HB3 . 7172 1 1272 . 1 1 97 97 LEU HG H 1 1.752 0.005 . 1 . . . . . 97 LEU HG . 7172 1 1273 . 1 1 97 97 LEU HD11 H 1 0.827 0.001 . 2 . . . . . 97 LEU HD1 . 7172 1 1274 . 1 1 97 97 LEU HD12 H 1 0.827 0.001 . 2 . . . . . 97 LEU HD1 . 7172 1 1275 . 1 1 97 97 LEU HD13 H 1 0.827 0.001 . 2 . . . . . 97 LEU HD1 . 7172 1 1276 . 1 1 97 97 LEU HD21 H 1 0.729 0.004 . 2 . . . . . 97 LEU HD2 . 7172 1 1277 . 1 1 97 97 LEU HD22 H 1 0.729 0.004 . 2 . . . . . 97 LEU HD2 . 7172 1 1278 . 1 1 97 97 LEU HD23 H 1 0.729 0.004 . 2 . . . . . 97 LEU HD2 . 7172 1 1279 . 1 1 97 97 LEU C C 13 178.828 0.02 . 1 . . . . . 97 LEU C . 7172 1 1280 . 1 1 97 97 LEU CA C 13 58.141 0.075 . 1 . . . . . 97 LEU CA . 7172 1 1281 . 1 1 97 97 LEU CB C 13 42.195 0.032 . 1 . . . . . 97 LEU CB . 7172 1 1282 . 1 1 97 97 LEU CG C 13 27.06 0.02 . 1 . . . . . 97 LEU CG . 7172 1 1283 . 1 1 97 97 LEU CD1 C 13 26.092 0.012 . 2 . . . . . 97 LEU CD1 . 7172 1 1284 . 1 1 97 97 LEU CD2 C 13 23.919 0.001 . 2 . . . . . 97 LEU CD2 . 7172 1 1285 . 1 1 97 97 LEU N N 15 122.774 0.029 . 1 . . . . . 97 LEU N . 7172 1 1286 . 1 1 98 98 TYR H H 1 8.522 0.004 . 1 . . . . . 98 TYR H . 7172 1 1287 . 1 1 98 98 TYR HA H 1 4.085 0.005 . 1 . . . . . 98 TYR HA . 7172 1 1288 . 1 1 98 98 TYR HB2 H 1 3.054 0.005 . 2 . . . . . 98 TYR HB2 . 7172 1 1289 . 1 1 98 98 TYR HB3 H 1 2.896 0.012 . 2 . . . . . 98 TYR HB3 . 7172 1 1290 . 1 1 98 98 TYR HD1 H 1 6.733 0.02 . 1 . . . . . 98 TYR HD1 . 7172 1 1291 . 1 1 98 98 TYR HD2 H 1 6.733 0.02 . 1 . . . . . 98 TYR HD2 . 7172 1 1292 . 1 1 98 98 TYR HE1 H 1 6.418 0.02 . 1 . . . . . 98 TYR HE1 . 7172 1 1293 . 1 1 98 98 TYR HE2 H 1 6.418 0.02 . 1 . . . . . 98 TYR HE2 . 7172 1 1294 . 1 1 98 98 TYR C C 13 181.358 0.02 . 1 . . . . . 98 TYR C . 7172 1 1295 . 1 1 98 98 TYR CA C 13 61.688 0.125 . 1 . . . . . 98 TYR CA . 7172 1 1296 . 1 1 98 98 TYR CB C 13 37.44 0.039 . 1 . . . . . 98 TYR CB . 7172 1 1297 . 1 1 98 98 TYR CD1 C 13 129.508 0.02 . 1 . . . . . 98 TYR CD1 . 7172 1 1298 . 1 1 98 98 TYR CD2 C 13 129.508 0.02 . 1 . . . . . 98 TYR CD2 . 7172 1 1299 . 1 1 98 98 TYR CE1 C 13 118.876 0.02 . 1 . . . . . 98 TYR CE1 . 7172 1 1300 . 1 1 98 98 TYR CE2 C 13 118.876 0.02 . 1 . . . . . 98 TYR CE2 . 7172 1 1301 . 1 1 98 98 TYR N N 15 117.762 0.017 . 1 . . . . . 98 TYR N . 7172 1 1302 . 1 1 99 99 SER H H 1 8.134 0.005 . 1 . . . . . 99 SER H . 7172 1 1303 . 1 1 99 99 SER HA H 1 4.252 0.003 . 1 . . . . . 99 SER HA . 7172 1 1304 . 1 1 99 99 SER HB2 H 1 4.122 0.004 . 1 . . . . . 99 SER HB2 . 7172 1 1305 . 1 1 99 99 SER HB3 H 1 4.122 0.004 . 1 . . . . . 99 SER HB3 . 7172 1 1306 . 1 1 99 99 SER C C 13 176.735 0.02 . 1 . . . . . 99 SER C . 7172 1 1307 . 1 1 99 99 SER CA C 13 62.093 0.012 . 1 . . . . . 99 SER CA . 7172 1 1308 . 1 1 99 99 SER CB C 13 63.178 0.261 . 1 . . . . . 99 SER CB . 7172 1 1309 . 1 1 99 99 SER N N 15 114.815 0.01 . 1 . . . . . 99 SER N . 7172 1 1310 . 1 1 100 100 SER H H 1 8.331 0.005 . 1 . . . . . 100 SER H . 7172 1 1311 . 1 1 100 100 SER HA H 1 4.331 0.004 . 1 . . . . . 100 SER HA . 7172 1 1312 . 1 1 100 100 SER HB2 H 1 3.961 0.004 . 1 . . . . . 100 SER HB2 . 7172 1 1313 . 1 1 100 100 SER HB3 H 1 3.961 0.004 . 1 . . . . . 100 SER HB3 . 7172 1 1314 . 1 1 100 100 SER C C 13 176.481 0.02 . 1 . . . . . 100 SER C . 7172 1 1315 . 1 1 100 100 SER CA C 13 61.726 0.024 . 1 . . . . . 100 SER CA . 7172 1 1316 . 1 1 100 100 SER CB C 13 63.631 0.037 . 1 . . . . . 100 SER CB . 7172 1 1317 . 1 1 100 100 SER N N 15 117.555 0.007 . 1 . . . . . 100 SER N . 7172 1 1318 . 1 1 101 101 CYS H H 1 8.045 0.007 . 1 . . . . . 101 CYS H . 7172 1 1319 . 1 1 101 101 CYS HA H 1 4.219 0.003 . 1 . . . . . 101 CYS HA . 7172 1 1320 . 1 1 101 101 CYS HB2 H 1 2.95 0.003 . 2 . . . . . 101 CYS HB2 . 7172 1 1321 . 1 1 101 101 CYS HB3 H 1 2.85 0.008 . 2 . . . . . 101 CYS HB3 . 7172 1 1322 . 1 1 101 101 CYS C C 13 175.013 0.02 . 1 . . . . . 101 CYS C . 7172 1 1323 . 1 1 101 101 CYS CA C 13 61.539 0.038 . 1 . . . . . 101 CYS CA . 7172 1 1324 . 1 1 101 101 CYS CB C 13 27.83 0.047 . 1 . . . . . 101 CYS CB . 7172 1 1325 . 1 1 101 101 CYS N N 15 117.332 0.023 . 1 . . . . . 101 CYS N . 7172 1 1326 . 1 1 102 102 LYS H H 1 6.746 0.005 . 1 . . . . . 102 LYS H . 7172 1 1327 . 1 1 102 102 LYS HA H 1 3.474 0.002 . 1 . . . . . 102 LYS HA . 7172 1 1328 . 1 1 102 102 LYS HB2 H 1 1.884 0.006 . 2 . . . . . 102 LYS HB2 . 7172 1 1329 . 1 1 102 102 LYS HB3 H 1 1.757 0.004 . 2 . . . . . 102 LYS HB3 . 7172 1 1330 . 1 1 102 102 LYS HG2 H 1 1.238 0.004 . 2 . . . . . 102 LYS HG2 . 7172 1 1331 . 1 1 102 102 LYS HG3 H 1 1.386 0.007 . 2 . . . . . 102 LYS HG3 . 7172 1 1332 . 1 1 102 102 LYS HD2 H 1 1.759 0.02 . 2 . . . . . 102 LYS HD2 . 7172 1 1333 . 1 1 102 102 LYS HD3 H 1 1.518 0.002 . 2 . . . . . 102 LYS HD3 . 7172 1 1334 . 1 1 102 102 LYS HE2 H 1 2.65 0.564 . 1 . . . . . 102 LYS HE2 . 7172 1 1335 . 1 1 102 102 LYS HE3 H 1 2.65 0.564 . 1 . . . . . 102 LYS HE3 . 7172 1 1336 . 1 1 102 102 LYS C C 13 176.235 0.02 . 1 . . . . . 102 LYS C . 7172 1 1337 . 1 1 102 102 LYS CA C 13 60.514 0.043 . 1 . . . . . 102 LYS CA . 7172 1 1338 . 1 1 102 102 LYS CB C 13 32.616 0.052 . 1 . . . . . 102 LYS CB . 7172 1 1339 . 1 1 102 102 LYS CG C 13 23.893 0.01 . 1 . . . . . 102 LYS CG . 7172 1 1340 . 1 1 102 102 LYS CD C 13 29.81 0.012 . 1 . . . . . 102 LYS CD . 7172 1 1341 . 1 1 102 102 LYS CE C 13 41.177 0.008 . 1 . . . . . 102 LYS CE . 7172 1 1342 . 1 1 102 102 LYS N N 15 119.849 0.022 . 1 . . . . . 102 LYS N . 7172 1 1343 . 1 1 103 103 SER H H 1 8.541 0.008 . 1 . . . . . 103 SER H . 7172 1 1344 . 1 1 103 103 SER HA H 1 4.283 0.006 . 1 . . . . . 103 SER HA . 7172 1 1345 . 1 1 103 103 SER HB2 H 1 4.02 0.02 . 2 . . . . . 103 SER HB2 . 7172 1 1346 . 1 1 103 103 SER HB3 H 1 3.928 0.003 . 2 . . . . . 103 SER HB3 . 7172 1 1347 . 1 1 103 103 SER C C 13 175.322 0.02 . 1 . . . . . 103 SER C . 7172 1 1348 . 1 1 103 103 SER CA C 13 63.816 0.022 . 1 . . . . . 103 SER CA . 7172 1 1349 . 1 1 103 103 SER CB C 13 60.453 0.026 . 1 . . . . . 103 SER CB . 7172 1 1350 . 1 1 103 103 SER N N 15 113.504 0.04 . 1 . . . . . 103 SER N . 7172 1 1351 . 1 1 104 104 PRO HA H 1 4.259 0.009 . 1 . . . . . 104 PRO HA . 7172 1 1352 . 1 1 104 104 PRO HB2 H 1 2.236 0.007 . 2 . . . . . 104 PRO HB2 . 7172 1 1353 . 1 1 104 104 PRO HB3 H 1 1.773 0.009 . 2 . . . . . 104 PRO HB3 . 7172 1 1354 . 1 1 104 104 PRO HG2 H 1 2.042 0.005 . 2 . . . . . 104 PRO HG2 . 7172 1 1355 . 1 1 104 104 PRO HG3 H 1 1.871 0.01 . 2 . . . . . 104 PRO HG3 . 7172 1 1356 . 1 1 104 104 PRO HD2 H 1 3.594 0.006 . 1 . . . . . 104 PRO HD2 . 7172 1 1357 . 1 1 104 104 PRO HD3 H 1 3.594 0.006 . 1 . . . . . 104 PRO HD3 . 7172 1 1358 . 1 1 104 104 PRO C C 13 178.954 0.02 . 1 . . . . . 104 PRO C . 7172 1 1359 . 1 1 104 104 PRO CA C 13 65.834 0.019 . 1 . . . . . 104 PRO CA . 7172 1 1360 . 1 1 104 104 PRO CB C 13 30.852 0.054 . 1 . . . . . 104 PRO CB . 7172 1 1361 . 1 1 104 104 PRO CG C 13 27.935 0.054 . 1 . . . . . 104 PRO CG . 7172 1 1362 . 1 1 104 104 PRO CD C 13 50.324 0.008 . 1 . . . . . 104 PRO CD . 7172 1 1363 . 1 1 105 105 LEU H H 1 7.182 0.005 . 1 . . . . . 105 LEU H . 7172 1 1364 . 1 1 105 105 LEU HA H 1 3.963 0.006 . 1 . . . . . 105 LEU HA . 7172 1 1365 . 1 1 105 105 LEU HB2 H 1 1.883 0.009 . 2 . . . . . 105 LEU HB2 . 7172 1 1366 . 1 1 105 105 LEU HB3 H 1 1.261 0.012 . 2 . . . . . 105 LEU HB3 . 7172 1 1367 . 1 1 105 105 LEU HG H 1 1.255 0.011 . 1 . . . . . 105 LEU HG . 7172 1 1368 . 1 1 105 105 LEU HD11 H 1 0.494 0.004 . 2 . . . . . 105 LEU HD1 . 7172 1 1369 . 1 1 105 105 LEU HD12 H 1 0.494 0.004 . 2 . . . . . 105 LEU HD1 . 7172 1 1370 . 1 1 105 105 LEU HD13 H 1 0.494 0.004 . 2 . . . . . 105 LEU HD1 . 7172 1 1371 . 1 1 105 105 LEU HD21 H 1 0.761 0.008 . 2 . . . . . 105 LEU HD2 . 7172 1 1372 . 1 1 105 105 LEU HD22 H 1 0.761 0.008 . 2 . . . . . 105 LEU HD2 . 7172 1 1373 . 1 1 105 105 LEU HD23 H 1 0.761 0.008 . 2 . . . . . 105 LEU HD2 . 7172 1 1374 . 1 1 105 105 LEU C C 13 177.514 0.02 . 1 . . . . . 105 LEU C . 7172 1 1375 . 1 1 105 105 LEU CA C 13 58.221 0.028 . 1 . . . . . 105 LEU CA . 7172 1 1376 . 1 1 105 105 LEU CB C 13 41.356 0.025 . 1 . . . . . 105 LEU CB . 7172 1 1377 . 1 1 105 105 LEU CG C 13 27.857 0.045 . 1 . . . . . 105 LEU CG . 7172 1 1378 . 1 1 105 105 LEU CD1 C 13 26.771 0.014 . 2 . . . . . 105 LEU CD1 . 7172 1 1379 . 1 1 105 105 LEU CD2 C 13 23.172 0.019 . 2 . . . . . 105 LEU CD2 . 7172 1 1380 . 1 1 105 105 LEU N N 15 118.584 0.006 . 1 . . . . . 105 LEU N . 7172 1 1381 . 1 1 106 106 LEU H H 1 7.763 0.005 . 1 . . . . . 106 LEU H . 7172 1 1382 . 1 1 106 106 LEU HA H 1 3.8 0.001 . 1 . . . . . 106 LEU HA . 7172 1 1383 . 1 1 106 106 LEU HB2 H 1 1.744 0.005 . 2 . . . . . 106 LEU HB2 . 7172 1 1384 . 1 1 106 106 LEU HB3 H 1 1.315 0.009 . 2 . . . . . 106 LEU HB3 . 7172 1 1385 . 1 1 106 106 LEU HG H 1 1.138 0.009 . 1 . . . . . 106 LEU HG . 7172 1 1386 . 1 1 106 106 LEU HD11 H 1 0.344 0.004 . 2 . . . . . 106 LEU HD1 . 7172 1 1387 . 1 1 106 106 LEU HD12 H 1 0.344 0.004 . 2 . . . . . 106 LEU HD1 . 7172 1 1388 . 1 1 106 106 LEU HD13 H 1 0.344 0.004 . 2 . . . . . 106 LEU HD1 . 7172 1 1389 . 1 1 106 106 LEU HD21 H 1 0.037 0.009 . 2 . . . . . 106 LEU HD2 . 7172 1 1390 . 1 1 106 106 LEU HD22 H 1 0.037 0.009 . 2 . . . . . 106 LEU HD2 . 7172 1 1391 . 1 1 106 106 LEU HD23 H 1 0.037 0.009 . 2 . . . . . 106 LEU HD2 . 7172 1 1392 . 1 1 106 106 LEU C C 13 178.667 0.02 . 1 . . . . . 106 LEU C . 7172 1 1393 . 1 1 106 106 LEU CA C 13 57.227 0.013 . 1 . . . . . 106 LEU CA . 7172 1 1394 . 1 1 106 106 LEU CB C 13 40.557 0.02 . 1 . . . . . 106 LEU CB . 7172 1 1395 . 1 1 106 106 LEU CG C 13 27.348 0.018 . 1 . . . . . 106 LEU CG . 7172 1 1396 . 1 1 106 106 LEU CD1 C 13 25.316 0.001 . 2 . . . . . 106 LEU CD1 . 7172 1 1397 . 1 1 106 106 LEU CD2 C 13 21.468 0.007 . 2 . . . . . 106 LEU CD2 . 7172 1 1398 . 1 1 106 106 LEU N N 15 119.296 0.007 . 1 . . . . . 106 LEU N . 7172 1 1399 . 1 1 107 107 GLU H H 1 8.037 0.005 . 1 . . . . . 107 GLU H . 7172 1 1400 . 1 1 107 107 GLU HA H 1 4.087 0.006 . 1 . . . . . 107 GLU HA . 7172 1 1401 . 1 1 107 107 GLU HB2 H 1 2.044 0.003 . 1 . . . . . 107 GLU HB2 . 7172 1 1402 . 1 1 107 107 GLU HB3 H 1 2.044 0.003 . 1 . . . . . 107 GLU HB3 . 7172 1 1403 . 1 1 107 107 GLU HG2 H 1 2.169 0.005 . 1 . . . . . 107 GLU HG2 . 7172 1 1404 . 1 1 107 107 GLU HG3 H 1 2.169 0.005 . 1 . . . . . 107 GLU HG3 . 7172 1 1405 . 1 1 107 107 GLU C C 13 179.183 0.02 . 1 . . . . . 107 GLU C . 7172 1 1406 . 1 1 107 107 GLU CA C 13 59.809 0.035 . 1 . . . . . 107 GLU CA . 7172 1 1407 . 1 1 107 107 GLU CB C 13 29.532 0.023 . 1 . . . . . 107 GLU CB . 7172 1 1408 . 1 1 107 107 GLU CG C 13 36.586 0.03 . 1 . . . . . 107 GLU CG . 7172 1 1409 . 1 1 107 107 GLU N N 15 120.281 0.018 . 1 . . . . . 107 GLU N . 7172 1 1410 . 1 1 108 108 ILE H H 1 7.645 0.004 . 1 . . . . . 108 ILE H . 7172 1 1411 . 1 1 108 108 ILE HA H 1 3.766 0.004 . 1 . . . . . 108 ILE HA . 7172 1 1412 . 1 1 108 108 ILE HB H 1 2.074 0.006 . 1 . . . . . 108 ILE HB . 7172 1 1413 . 1 1 108 108 ILE HG12 H 1 1.779 0.01 . 2 . . . . . 108 ILE HG12 . 7172 1 1414 . 1 1 108 108 ILE HG13 H 1 1.19 0.008 . 2 . . . . . 108 ILE HG13 . 7172 1 1415 . 1 1 108 108 ILE HG21 H 1 0.905 0.009 . 1 . . . . . 108 ILE HG2 . 7172 1 1416 . 1 1 108 108 ILE HG22 H 1 0.905 0.009 . 1 . . . . . 108 ILE HG2 . 7172 1 1417 . 1 1 108 108 ILE HG23 H 1 0.905 0.009 . 1 . . . . . 108 ILE HG2 . 7172 1 1418 . 1 1 108 108 ILE HD11 H 1 0.867 0.008 . 1 . . . . . 108 ILE HD1 . 7172 1 1419 . 1 1 108 108 ILE HD12 H 1 0.867 0.008 . 1 . . . . . 108 ILE HD1 . 7172 1 1420 . 1 1 108 108 ILE HD13 H 1 0.867 0.008 . 1 . . . . . 108 ILE HD1 . 7172 1 1421 . 1 1 108 108 ILE C C 13 178.657 0.02 . 1 . . . . . 108 ILE C . 7172 1 1422 . 1 1 108 108 ILE CA C 13 65.278 0.013 . 1 . . . . . 108 ILE CA . 7172 1 1423 . 1 1 108 108 ILE CB C 13 38.037 0.017 . 1 . . . . . 108 ILE CB . 7172 1 1424 . 1 1 108 108 ILE CG2 C 13 16.972 0.015 . 1 . . . . . 108 ILE CG2 . 7172 1 1425 . 1 1 108 108 ILE CD1 C 13 13.716 0.014 . 1 . . . . . 108 ILE CD1 . 7172 1 1426 . 1 1 108 108 ILE N N 15 120.322 0.011 . 1 . . . . . 108 ILE N . 7172 1 1427 . 1 1 109 109 VAL H H 1 7.844 0.007 . 1 . . . . . 109 VAL H . 7172 1 1428 . 1 1 109 109 VAL HA H 1 3.512 0.003 . 1 . . . . . 109 VAL HA . 7172 1 1429 . 1 1 109 109 VAL HB H 1 2.092 0.008 . 1 . . . . . 109 VAL HB . 7172 1 1430 . 1 1 109 109 VAL HG11 H 1 0.849 0.004 . 2 . . . . . 109 VAL HG1 . 7172 1 1431 . 1 1 109 109 VAL HG12 H 1 0.849 0.004 . 2 . . . . . 109 VAL HG1 . 7172 1 1432 . 1 1 109 109 VAL HG13 H 1 0.849 0.004 . 2 . . . . . 109 VAL HG1 . 7172 1 1433 . 1 1 109 109 VAL HG21 H 1 0.734 0.006 . 2 . . . . . 109 VAL HG2 . 7172 1 1434 . 1 1 109 109 VAL HG22 H 1 0.734 0.006 . 2 . . . . . 109 VAL HG2 . 7172 1 1435 . 1 1 109 109 VAL HG23 H 1 0.734 0.006 . 2 . . . . . 109 VAL HG2 . 7172 1 1436 . 1 1 109 109 VAL C C 13 177.101 0.02 . 1 . . . . . 109 VAL C . 7172 1 1437 . 1 1 109 109 VAL CA C 13 66.603 0.081 . 1 . . . . . 109 VAL CA . 7172 1 1438 . 1 1 109 109 VAL CB C 13 31.675 0.063 . 1 . . . . . 109 VAL CB . 7172 1 1439 . 1 1 109 109 VAL CG1 C 13 22.542 0.021 . 2 . . . . . 109 VAL CG1 . 7172 1 1440 . 1 1 109 109 VAL CG2 C 13 22.543 0.002 . 2 . . . . . 109 VAL CG2 . 7172 1 1441 . 1 1 109 109 VAL N N 15 117.967 0.055 . 1 . . . . . 109 VAL N . 7172 1 1442 . 1 1 110 110 GLU H H 1 8.433 0.006 . 1 . . . . . 110 GLU H . 7172 1 1443 . 1 1 110 110 GLU HA H 1 4.352 0.003 . 1 . . . . . 110 GLU HA . 7172 1 1444 . 1 1 110 110 GLU HB2 H 1 2.117 0.005 . 2 . . . . . 110 GLU HB2 . 7172 1 1445 . 1 1 110 110 GLU HB3 H 1 2.011 0.009 . 2 . . . . . 110 GLU HB3 . 7172 1 1446 . 1 1 110 110 GLU HG2 H 1 2.466 0.005 . 2 . . . . . 110 GLU HG2 . 7172 1 1447 . 1 1 110 110 GLU HG3 H 1 2.194 0.007 . 2 . . . . . 110 GLU HG3 . 7172 1 1448 . 1 1 110 110 GLU C C 13 178.792 0.02 . 1 . . . . . 110 GLU C . 7172 1 1449 . 1 1 110 110 GLU CA C 13 59.449 0.042 . 1 . . . . . 110 GLU CA . 7172 1 1450 . 1 1 110 110 GLU CB C 13 30.662 0.068 . 1 . . . . . 110 GLU CB . 7172 1 1451 . 1 1 110 110 GLU CG C 13 37.363 0.019 . 1 . . . . . 110 GLU CG . 7172 1 1452 . 1 1 110 110 GLU N N 15 118.151 0.061 . 1 . . . . . 110 GLU N . 7172 1 1453 . 1 1 111 111 ARG H H 1 8.347 0.008 . 1 . . . . . 111 ARG H . 7172 1 1454 . 1 1 111 111 ARG HA H 1 4.325 0.006 . 1 . . . . . 111 ARG HA . 7172 1 1455 . 1 1 111 111 ARG HB2 H 1 2.026 0.008 . 2 . . . . . 111 ARG HB2 . 7172 1 1456 . 1 1 111 111 ARG HB3 H 1 1.908 0.008 . 2 . . . . . 111 ARG HB3 . 7172 1 1457 . 1 1 111 111 ARG HG2 H 1 1.768 0.003 . 2 . . . . . 111 ARG HG2 . 7172 1 1458 . 1 1 111 111 ARG HG3 H 1 1.623 0.005 . 2 . . . . . 111 ARG HG3 . 7172 1 1459 . 1 1 111 111 ARG HD2 H 1 3.178 0.01 . 1 . . . . . 111 ARG HD2 . 7172 1 1460 . 1 1 111 111 ARG HD3 H 1 3.178 0.01 . 1 . . . . . 111 ARG HD3 . 7172 1 1461 . 1 1 111 111 ARG HE H 1 6.633 0.002 . 1 . . . . . 111 ARG HE . 7172 1 1462 . 1 1 111 111 ARG C C 13 178.232 0.02 . 1 . . . . . 111 ARG C . 7172 1 1463 . 1 1 111 111 ARG CA C 13 58.185 0.025 . 1 . . . . . 111 ARG CA . 7172 1 1464 . 1 1 111 111 ARG CB C 13 30.905 0.045 . 1 . . . . . 111 ARG CB . 7172 1 1465 . 1 1 111 111 ARG CG C 13 27.519 0.29 . 1 . . . . . 111 ARG CG . 7172 1 1466 . 1 1 111 111 ARG CD C 13 43.195 0.083 . 1 . . . . . 111 ARG CD . 7172 1 1467 . 1 1 111 111 ARG N N 15 116.357 0.082 . 1 . . . . . 111 ARG N . 7172 1 1468 . 1 1 111 111 ARG NE N 15 98.768 16.031 . 1 . . . . . 111 ARG NE . 7172 1 1469 . 1 1 112 112 GLN H H 1 8.287 0.005 . 1 . . . . . 112 GLN H . 7172 1 1470 . 1 1 112 112 GLN HA H 1 4.423 0.002 . 1 . . . . . 112 GLN HA . 7172 1 1471 . 1 1 112 112 GLN HB2 H 1 2.336 0.002 . 1 . . . . . 112 GLN HB2 . 7172 1 1472 . 1 1 112 112 GLN HB3 H 1 2.336 0.002 . 1 . . . . . 112 GLN HB3 . 7172 1 1473 . 1 1 112 112 GLN HG2 H 1 2.471 0.004 . 2 . . . . . 112 GLN HG2 . 7172 1 1474 . 1 1 112 112 GLN HG3 H 1 2.381 0.005 . 2 . . . . . 112 GLN HG3 . 7172 1 1475 . 1 1 112 112 GLN HE21 H 1 7.519 0.02 . 2 . . . . . 112 GLN HE21 . 7172 1 1476 . 1 1 112 112 GLN HE22 H 1 6.612 0.02 . 2 . . . . . 112 GLN HE22 . 7172 1 1477 . 1 1 112 112 GLN C C 13 177.745 0.02 . 1 . . . . . 112 GLN C . 7172 1 1478 . 1 1 112 112 GLN CA C 13 58.23 0.02 . 1 . . . . . 112 GLN CA . 7172 1 1479 . 1 1 112 112 GLN CB C 13 28.955 0.063 . 1 . . . . . 112 GLN CB . 7172 1 1480 . 1 1 112 112 GLN CG C 13 34.381 0.002 . 1 . . . . . 112 GLN CG . 7172 1 1481 . 1 1 112 112 GLN CD C 13 178.98 0.02 . 1 . . . . . 112 GLN CD . 7172 1 1482 . 1 1 112 112 GLN N N 15 116.668 0.023 . 1 . . . . . 112 GLN N . 7172 1 1483 . 1 1 112 112 GLN NE2 N 15 111.167 0.002 . 1 . . . . . 112 GLN NE2 . 7172 1 1484 . 1 1 113 113 LEU H H 1 7.507 0.006 . 1 . . . . . 113 LEU H . 7172 1 1485 . 1 1 113 113 LEU HA H 1 4.446 0.002 . 1 . . . . . 113 LEU HA . 7172 1 1486 . 1 1 113 113 LEU HB2 H 1 2.071 0.007 . 2 . . . . . 113 LEU HB2 . 7172 1 1487 . 1 1 113 113 LEU HB3 H 1 1.434 0.01 . 2 . . . . . 113 LEU HB3 . 7172 1 1488 . 1 1 113 113 LEU HG H 1 1.334 0.005 . 1 . . . . . 113 LEU HG . 7172 1 1489 . 1 1 113 113 LEU HD11 H 1 0.378 0.005 . 2 . . . . . 113 LEU HD1 . 7172 1 1490 . 1 1 113 113 LEU HD12 H 1 0.378 0.005 . 2 . . . . . 113 LEU HD1 . 7172 1 1491 . 1 1 113 113 LEU HD13 H 1 0.378 0.005 . 2 . . . . . 113 LEU HD1 . 7172 1 1492 . 1 1 113 113 LEU HD21 H 1 0.577 0.009 . 2 . . . . . 113 LEU HD2 . 7172 1 1493 . 1 1 113 113 LEU HD22 H 1 0.577 0.009 . 2 . . . . . 113 LEU HD2 . 7172 1 1494 . 1 1 113 113 LEU HD23 H 1 0.577 0.009 . 2 . . . . . 113 LEU HD2 . 7172 1 1495 . 1 1 113 113 LEU C C 13 176.113 0.02 . 1 . . . . . 113 LEU C . 7172 1 1496 . 1 1 113 113 LEU CA C 13 54.768 0.032 . 1 . . . . . 113 LEU CA . 7172 1 1497 . 1 1 113 113 LEU CB C 13 42.414 0.047 . 1 . . . . . 113 LEU CB . 7172 1 1498 . 1 1 113 113 LEU CG C 13 27.185 0.046 . 1 . . . . . 113 LEU CG . 7172 1 1499 . 1 1 113 113 LEU CD1 C 13 26.276 0.011 . 2 . . . . . 113 LEU CD1 . 7172 1 1500 . 1 1 113 113 LEU CD2 C 13 23.751 0.02 . 2 . . . . . 113 LEU CD2 . 7172 1 1501 . 1 1 113 113 LEU N N 15 116.119 0.032 . 1 . . . . . 113 LEU N . 7172 1 1502 . 1 1 114 114 GLN H H 1 7.026 0.009 . 1 . . . . . 114 GLN H . 7172 1 1503 . 1 1 114 114 GLN HA H 1 4.024 0.005 . 1 . . . . . 114 GLN HA . 7172 1 1504 . 1 1 114 114 GLN HB2 H 1 2.146 0.014 . 1 . . . . . 114 GLN HB2 . 7172 1 1505 . 1 1 114 114 GLN HB3 H 1 2.146 0.014 . 1 . . . . . 114 GLN HB3 . 7172 1 1506 . 1 1 114 114 GLN HG2 H 1 2.212 0.02 . 2 . . . . . 114 GLN HG2 . 7172 1 1507 . 1 1 114 114 GLN HG3 H 1 2.14 0.02 . 2 . . . . . 114 GLN HG3 . 7172 1 1508 . 1 1 114 114 GLN HE21 H 1 7.455 0.02 . 2 . . . . . 114 GLN HE21 . 7172 1 1509 . 1 1 114 114 GLN HE22 H 1 6.688 0.02 . 2 . . . . . 114 GLN HE22 . 7172 1 1510 . 1 1 114 114 GLN C C 13 174.964 0.02 . 1 . . . . . 114 GLN C . 7172 1 1511 . 1 1 114 114 GLN CA C 13 56.784 0.023 . 1 . . . . . 114 GLN CA . 7172 1 1512 . 1 1 114 114 GLN CB C 13 26.122 0.068 . 1 . . . . . 114 GLN CB . 7172 1 1513 . 1 1 114 114 GLN CG C 13 34.646 0.002 . 1 . . . . . 114 GLN CG . 7172 1 1514 . 1 1 114 114 GLN CD C 13 181.298 0.02 . 1 . . . . . 114 GLN CD . 7172 1 1515 . 1 1 114 114 GLN N N 15 113.512 0.011 . 1 . . . . . 114 GLN N . 7172 1 1516 . 1 1 114 114 GLN NE2 N 15 112.775 0.001 . 1 . . . . . 114 GLN NE2 . 7172 1 1517 . 1 1 115 115 MET H H 1 7.687 0.008 . 1 . . . . . 115 MET H . 7172 1 1518 . 1 1 115 115 MET HA H 1 4.222 0.004 . 1 . . . . . 115 MET HA . 7172 1 1519 . 1 1 115 115 MET HB2 H 1 1.695 0.009 . 2 . . . . . 115 MET HB2 . 7172 1 1520 . 1 1 115 115 MET HB3 H 1 1.546 0.009 . 2 . . . . . 115 MET HB3 . 7172 1 1521 . 1 1 115 115 MET HG2 H 1 2.26 0.006 . 2 . . . . . 115 MET HG2 . 7172 1 1522 . 1 1 115 115 MET HG3 H 1 2.126 0.003 . 2 . . . . . 115 MET HG3 . 7172 1 1523 . 1 1 115 115 MET HE1 H 1 1.863 0.02 . 1 . . . . . 115 MET HE . 7172 1 1524 . 1 1 115 115 MET HE2 H 1 1.863 0.02 . 1 . . . . . 115 MET HE . 7172 1 1525 . 1 1 115 115 MET HE3 H 1 1.863 0.02 . 1 . . . . . 115 MET HE . 7172 1 1526 . 1 1 115 115 MET C C 13 174.655 0.02 . 1 . . . . . 115 MET C . 7172 1 1527 . 1 1 115 115 MET CA C 13 55.674 0.025 . 1 . . . . . 115 MET CA . 7172 1 1528 . 1 1 115 115 MET CB C 13 35.265 0.037 . 1 . . . . . 115 MET CB . 7172 1 1529 . 1 1 115 115 MET CG C 13 31.558 0.015 . 1 . . . . . 115 MET CG . 7172 1 1530 . 1 1 115 115 MET CE C 13 17.603 0.02 . 1 . . . . . 115 MET CE . 7172 1 1531 . 1 1 115 115 MET N N 15 119.237 0.019 . 1 . . . . . 115 MET N . 7172 1 1532 . 1 1 116 116 ASP H H 1 8.716 0.005 . 1 . . . . . 116 ASP H . 7172 1 1533 . 1 1 116 116 ASP HA H 1 4.566 0.009 . 1 . . . . . 116 ASP HA . 7172 1 1534 . 1 1 116 116 ASP HB2 H 1 2.722 0.008 . 2 . . . . . 116 ASP HB2 . 7172 1 1535 . 1 1 116 116 ASP HB3 H 1 2.525 0.008 . 2 . . . . . 116 ASP HB3 . 7172 1 1536 . 1 1 116 116 ASP C C 13 175.333 0.02 . 1 . . . . . 116 ASP C . 7172 1 1537 . 1 1 116 116 ASP CA C 13 53.609 0.039 . 1 . . . . . 116 ASP CA . 7172 1 1538 . 1 1 116 116 ASP CB C 13 40.558 0.007 . 1 . . . . . 116 ASP CB . 7172 1 1539 . 1 1 116 116 ASP N N 15 125.75 0.044 . 1 . . . . . 116 ASP N . 7172 1 1540 . 1 1 117 117 VAL H H 1 8.555 0.006 . 1 . . . . . 117 VAL H . 7172 1 1541 . 1 1 117 117 VAL HA H 1 4.149 0.004 . 1 . . . . . 117 VAL HA . 7172 1 1542 . 1 1 117 117 VAL HB H 1 2.049 0.008 . 1 . . . . . 117 VAL HB . 7172 1 1543 . 1 1 117 117 VAL HG11 H 1 0.881 0.001 . 2 . . . . . 117 VAL HG1 . 7172 1 1544 . 1 1 117 117 VAL HG12 H 1 0.881 0.001 . 2 . . . . . 117 VAL HG1 . 7172 1 1545 . 1 1 117 117 VAL HG13 H 1 0.881 0.001 . 2 . . . . . 117 VAL HG1 . 7172 1 1546 . 1 1 117 117 VAL HG21 H 1 0.87 0.012 . 2 . . . . . 117 VAL HG2 . 7172 1 1547 . 1 1 117 117 VAL HG22 H 1 0.87 0.012 . 2 . . . . . 117 VAL HG2 . 7172 1 1548 . 1 1 117 117 VAL HG23 H 1 0.87 0.012 . 2 . . . . . 117 VAL HG2 . 7172 1 1549 . 1 1 117 117 VAL C C 13 176.722 0.02 . 1 . . . . . 117 VAL C . 7172 1 1550 . 1 1 117 117 VAL CA C 13 62.001 0.039 . 1 . . . . . 117 VAL CA . 7172 1 1551 . 1 1 117 117 VAL CB C 13 31.48 0.021 . 1 . . . . . 117 VAL CB . 7172 1 1552 . 1 1 117 117 VAL CG1 C 13 23.404 0.003 . 2 . . . . . 117 VAL CG1 . 7172 1 1553 . 1 1 117 117 VAL CG2 C 13 21.741 0.013 . 2 . . . . . 117 VAL CG2 . 7172 1 1554 . 1 1 117 117 VAL N N 15 126.097 0.015 . 1 . . . . . 117 VAL N . 7172 1 1555 . 1 1 118 118 ILE H H 1 8.794 0.005 . 1 . . . . . 118 ILE H . 7172 1 1556 . 1 1 118 118 ILE HA H 1 4.11 0.004 . 1 . . . . . 118 ILE HA . 7172 1 1557 . 1 1 118 118 ILE HB H 1 1.94 0.004 . 1 . . . . . 118 ILE HB . 7172 1 1558 . 1 1 118 118 ILE HG12 H 1 1.548 0.008 . 2 . . . . . 118 ILE HG12 . 7172 1 1559 . 1 1 118 118 ILE HG13 H 1 1.384 0.006 . 2 . . . . . 118 ILE HG13 . 7172 1 1560 . 1 1 118 118 ILE HG21 H 1 0.956 0.007 . 1 . . . . . 118 ILE HG2 . 7172 1 1561 . 1 1 118 118 ILE HG22 H 1 0.956 0.007 . 1 . . . . . 118 ILE HG2 . 7172 1 1562 . 1 1 118 118 ILE HG23 H 1 0.956 0.007 . 1 . . . . . 118 ILE HG2 . 7172 1 1563 . 1 1 118 118 ILE HD11 H 1 0.801 0.004 . 1 . . . . . 118 ILE HD1 . 7172 1 1564 . 1 1 118 118 ILE HD12 H 1 0.801 0.004 . 1 . . . . . 118 ILE HD1 . 7172 1 1565 . 1 1 118 118 ILE HD13 H 1 0.801 0.004 . 1 . . . . . 118 ILE HD1 . 7172 1 1566 . 1 1 118 118 ILE C C 13 175.055 0.02 . 1 . . . . . 118 ILE C . 7172 1 1567 . 1 1 118 118 ILE CA C 13 62.618 0.02 . 1 . . . . . 118 ILE CA . 7172 1 1568 . 1 1 118 118 ILE CB C 13 38.555 0.015 . 1 . . . . . 118 ILE CB . 7172 1 1569 . 1 1 118 118 ILE CG1 C 13 28.985 0.023 . 1 . . . . . 118 ILE CG1 . 7172 1 1570 . 1 1 118 118 ILE CG2 C 13 18.233 0.039 . 1 . . . . . 118 ILE CG2 . 7172 1 1571 . 1 1 118 118 ILE CD1 C 13 12.913 0.004 . 1 . . . . . 118 ILE CD1 . 7172 1 1572 . 1 1 118 118 ILE N N 15 128.94 0.036 . 1 . . . . . 118 ILE N . 7172 1 1573 . 1 1 119 119 ARG H H 1 7.088 0.007 . 1 . . . . . 119 ARG H . 7172 1 1574 . 1 1 119 119 ARG HA H 1 4.511 0.005 . 1 . . . . . 119 ARG HA . 7172 1 1575 . 1 1 119 119 ARG HB2 H 1 1.666 0.007 . 2 . . . . . 119 ARG HB2 . 7172 1 1576 . 1 1 119 119 ARG HB3 H 1 1.533 0.004 . 2 . . . . . 119 ARG HB3 . 7172 1 1577 . 1 1 119 119 ARG HG2 H 1 1.528 0.006 . 2 . . . . . 119 ARG HG2 . 7172 1 1578 . 1 1 119 119 ARG HG3 H 1 1.378 0.005 . 2 . . . . . 119 ARG HG3 . 7172 1 1579 . 1 1 119 119 ARG HD2 H 1 3.431 0.003 . 1 . . . . . 119 ARG HD2 . 7172 1 1580 . 1 1 119 119 ARG HD3 H 1 3.431 0.003 . 1 . . . . . 119 ARG HD3 . 7172 1 1581 . 1 1 119 119 ARG HE H 1 6.918 0.002 . 1 . . . . . 119 ARG HE . 7172 1 1582 . 1 1 119 119 ARG C C 13 172.895 0.02 . 1 . . . . . 119 ARG C . 7172 1 1583 . 1 1 119 119 ARG CA C 13 53.988 0.053 . 1 . . . . . 119 ARG CA . 7172 1 1584 . 1 1 119 119 ARG CB C 13 34.493 0.034 . 1 . . . . . 119 ARG CB . 7172 1 1585 . 1 1 119 119 ARG CG C 13 26.944 0.02 . 1 . . . . . 119 ARG CG . 7172 1 1586 . 1 1 119 119 ARG CD C 13 41.927 0.041 . 1 . . . . . 119 ARG CD . 7172 1 1587 . 1 1 119 119 ARG N N 15 117.343 0.024 . 1 . . . . . 119 ARG N . 7172 1 1588 . 1 1 119 119 ARG NE N 15 84.572 0.248 . 1 . . . . . 119 ARG NE . 7172 1 1589 . 1 1 120 120 LYS H H 1 8.647 0.004 . 1 . . . . . 120 LYS H . 7172 1 1590 . 1 1 120 120 LYS HA H 1 5.282 0.001 . 1 . . . . . 120 LYS HA . 7172 1 1591 . 1 1 120 120 LYS HB2 H 1 2.008 0.005 . 2 . . . . . 120 LYS HB2 . 7172 1 1592 . 1 1 120 120 LYS HB3 H 1 1.864 0.011 . 2 . . . . . 120 LYS HB3 . 7172 1 1593 . 1 1 120 120 LYS HG2 H 1 1.364 0.003 . 1 . . . . . 120 LYS HG2 . 7172 1 1594 . 1 1 120 120 LYS HG3 H 1 1.364 0.003 . 1 . . . . . 120 LYS HG3 . 7172 1 1595 . 1 1 120 120 LYS HD2 H 1 1.66 0.004 . 1 . . . . . 120 LYS HD2 . 7172 1 1596 . 1 1 120 120 LYS HD3 H 1 1.66 0.004 . 1 . . . . . 120 LYS HD3 . 7172 1 1597 . 1 1 120 120 LYS HE2 H 1 2.767 0.004 . 1 . . . . . 120 LYS HE2 . 7172 1 1598 . 1 1 120 120 LYS HE3 H 1 2.767 0.004 . 1 . . . . . 120 LYS HE3 . 7172 1 1599 . 1 1 120 120 LYS C C 13 175.11 0.02 . 1 . . . . . 120 LYS C . 7172 1 1600 . 1 1 120 120 LYS CA C 13 55.97 0.023 . 1 . . . . . 120 LYS CA . 7172 1 1601 . 1 1 120 120 LYS CB C 13 32.61 0.046 . 1 . . . . . 120 LYS CB . 7172 1 1602 . 1 1 120 120 LYS CG C 13 25.618 0.008 . 1 . . . . . 120 LYS CG . 7172 1 1603 . 1 1 120 120 LYS CD C 13 30.15 0.022 . 1 . . . . . 120 LYS CD . 7172 1 1604 . 1 1 120 120 LYS CE C 13 42.268 0.014 . 1 . . . . . 120 LYS CE . 7172 1 1605 . 1 1 120 120 LYS N N 15 126.581 0.02 . 1 . . . . . 120 LYS N . 7172 1 1606 . 1 1 121 121 ILE H H 1 9.205 0.004 . 1 . . . . . 121 ILE H . 7172 1 1607 . 1 1 121 121 ILE HA H 1 4.409 0.004 . 1 . . . . . 121 ILE HA . 7172 1 1608 . 1 1 121 121 ILE HB H 1 1.635 0.008 . 1 . . . . . 121 ILE HB . 7172 1 1609 . 1 1 121 121 ILE HG12 H 1 0.925 0.007 . 2 . . . . . 121 ILE HG12 . 7172 1 1610 . 1 1 121 121 ILE HG13 H 1 1.307 0.007 . 2 . . . . . 121 ILE HG13 . 7172 1 1611 . 1 1 121 121 ILE HG21 H 1 0.813 0.009 . 1 . . . . . 121 ILE HG2 . 7172 1 1612 . 1 1 121 121 ILE HG22 H 1 0.813 0.009 . 1 . . . . . 121 ILE HG2 . 7172 1 1613 . 1 1 121 121 ILE HG23 H 1 0.813 0.009 . 1 . . . . . 121 ILE HG2 . 7172 1 1614 . 1 1 121 121 ILE HD11 H 1 0.487 0.009 . 1 . . . . . 121 ILE HD1 . 7172 1 1615 . 1 1 121 121 ILE HD12 H 1 0.487 0.009 . 1 . . . . . 121 ILE HD1 . 7172 1 1616 . 1 1 121 121 ILE HD13 H 1 0.487 0.009 . 1 . . . . . 121 ILE HD1 . 7172 1 1617 . 1 1 121 121 ILE C C 13 174.277 0.02 . 1 . . . . . 121 ILE C . 7172 1 1618 . 1 1 121 121 ILE CA C 13 60.528 0.029 . 1 . . . . . 121 ILE CA . 7172 1 1619 . 1 1 121 121 ILE CB C 13 41.71 0.036 . 1 . . . . . 121 ILE CB . 7172 1 1620 . 1 1 121 121 ILE CG1 C 13 27.47 0.03 . 1 . . . . . 121 ILE CG1 . 7172 1 1621 . 1 1 121 121 ILE CG2 C 13 17.793 0.001 . 1 . . . . . 121 ILE CG2 . 7172 1 1622 . 1 1 121 121 ILE CD1 C 13 14.194 0.024 . 1 . . . . . 121 ILE CD1 . 7172 1 1623 . 1 1 121 121 ILE N N 15 125.121 0.026 . 1 . . . . . 121 ILE N . 7172 1 1624 . 1 1 122 122 GLU H H 1 8.787 0.006 . 1 . . . . . 122 GLU H . 7172 1 1625 . 1 1 122 122 GLU HA H 1 5.378 0.003 . 1 . . . . . 122 GLU HA . 7172 1 1626 . 1 1 122 122 GLU HB2 H 1 1.979 0.006 . 1 . . . . . 122 GLU HB2 . 7172 1 1627 . 1 1 122 122 GLU HB3 H 1 1.979 0.006 . 1 . . . . . 122 GLU HB3 . 7172 1 1628 . 1 1 122 122 GLU HG2 H 1 2.183 0.005 . 2 . . . . . 122 GLU HG2 . 7172 1 1629 . 1 1 122 122 GLU HG3 H 1 2.348 0.003 . 2 . . . . . 122 GLU HG3 . 7172 1 1630 . 1 1 122 122 GLU C C 13 175.299 0.02 . 1 . . . . . 122 GLU C . 7172 1 1631 . 1 1 122 122 GLU CA C 13 55.174 0.017 . 1 . . . . . 122 GLU CA . 7172 1 1632 . 1 1 122 122 GLU CB C 13 31.219 0.062 . 1 . . . . . 122 GLU CB . 7172 1 1633 . 1 1 122 122 GLU CG C 13 36.789 0.023 . 1 . . . . . 122 GLU CG . 7172 1 1634 . 1 1 122 122 GLU N N 15 128.458 0.037 . 1 . . . . . 122 GLU N . 7172 1 1635 . 1 1 123 123 ILE H H 1 8.251 0.005 . 1 . . . . . 123 ILE H . 7172 1 1636 . 1 1 123 123 ILE HA H 1 4.713 0.005 . 1 . . . . . 123 ILE HA . 7172 1 1637 . 1 1 123 123 ILE HB H 1 1.719 0.007 . 1 . . . . . 123 ILE HB . 7172 1 1638 . 1 1 123 123 ILE HG12 H 1 0.858 0.007 . 2 . . . . . 123 ILE HG12 . 7172 1 1639 . 1 1 123 123 ILE HG13 H 1 0.54 0.008 . 2 . . . . . 123 ILE HG13 . 7172 1 1640 . 1 1 123 123 ILE HG21 H 1 0.589 0.007 . 1 . . . . . 123 ILE HG2 . 7172 1 1641 . 1 1 123 123 ILE HG22 H 1 0.589 0.007 . 1 . . . . . 123 ILE HG2 . 7172 1 1642 . 1 1 123 123 ILE HG23 H 1 0.589 0.007 . 1 . . . . . 123 ILE HG2 . 7172 1 1643 . 1 1 123 123 ILE HD11 H 1 0.411 0.006 . 1 . . . . . 123 ILE HD1 . 7172 1 1644 . 1 1 123 123 ILE HD12 H 1 0.411 0.006 . 1 . . . . . 123 ILE HD1 . 7172 1 1645 . 1 1 123 123 ILE HD13 H 1 0.411 0.006 . 1 . . . . . 123 ILE HD1 . 7172 1 1646 . 1 1 123 123 ILE C C 13 173.888 0.02 . 1 . . . . . 123 ILE C . 7172 1 1647 . 1 1 123 123 ILE CA C 13 58.698 0.025 . 1 . . . . . 123 ILE CA . 7172 1 1648 . 1 1 123 123 ILE CB C 13 42.623 0.031 . 1 . . . . . 123 ILE CB . 7172 1 1649 . 1 1 123 123 ILE CG1 C 13 25.979 0.005 . 1 . . . . . 123 ILE CG1 . 7172 1 1650 . 1 1 123 123 ILE CG2 C 13 18.645 0.003 . 1 . . . . . 123 ILE CG2 . 7172 1 1651 . 1 1 123 123 ILE CD1 C 13 14.736 0.023 . 1 . . . . . 123 ILE CD1 . 7172 1 1652 . 1 1 123 123 ILE N N 15 116.853 0.021 . 1 . . . . . 123 ILE N . 7172 1 1653 . 1 1 124 124 ASP H H 1 8.672 0.005 . 1 . . . . . 124 ASP H . 7172 1 1654 . 1 1 124 124 ASP HA H 1 4.667 0.006 . 1 . . . . . 124 ASP HA . 7172 1 1655 . 1 1 124 124 ASP HB2 H 1 2.679 0.003 . 2 . . . . . 124 ASP HB2 . 7172 1 1656 . 1 1 124 124 ASP HB3 H 1 2.48 0.008 . 2 . . . . . 124 ASP HB3 . 7172 1 1657 . 1 1 124 124 ASP C C 13 175.681 0.02 . 1 . . . . . 124 ASP C . 7172 1 1658 . 1 1 124 124 ASP CA C 13 53.593 0.007 . 1 . . . . . 124 ASP CA . 7172 1 1659 . 1 1 124 124 ASP CB C 13 42.841 0.051 . 1 . . . . . 124 ASP CB . 7172 1 1660 . 1 1 124 124 ASP N N 15 120.923 0.07 . 1 . . . . . 124 ASP N . 7172 1 1661 . 1 1 125 125 ASN H H 1 7.358 0.004 . 1 . . . . . 125 ASN H . 7172 1 1662 . 1 1 125 125 ASN HA H 1 4.601 0.002 . 1 . . . . . 125 ASN HA . 7172 1 1663 . 1 1 125 125 ASN HB2 H 1 2.737 0.008 . 2 . . . . . 125 ASN HB2 . 7172 1 1664 . 1 1 125 125 ASN HB3 H 1 2.649 0.004 . 2 . . . . . 125 ASN HB3 . 7172 1 1665 . 1 1 125 125 ASN HD21 H 1 7.8 0.02 . 2 . . . . . 125 ASN HD21 . 7172 1 1666 . 1 1 125 125 ASN HD22 H 1 6.848 0.02 . 2 . . . . . 125 ASN HD22 . 7172 1 1667 . 1 1 125 125 ASN C C 13 175.662 0.02 . 1 . . . . . 125 ASN C . 7172 1 1668 . 1 1 125 125 ASN CA C 13 52.427 0.02 . 1 . . . . . 125 ASN CA . 7172 1 1669 . 1 1 125 125 ASN CB C 13 40.546 0.007 . 1 . . . . . 125 ASN CB . 7172 1 1670 . 1 1 125 125 ASN CG C 13 176.91 0.01 . 1 . . . . . 125 ASN CG . 7172 1 1671 . 1 1 125 125 ASN N N 15 114.551 0.01 . 1 . . . . . 125 ASN N . 7172 1 1672 . 1 1 125 125 ASN ND2 N 15 113.638 0.005 . 1 . . . . . 125 ASN ND2 . 7172 1 1673 . 1 1 126 126 GLY H H 1 8.993 0.005 . 1 . . . . . 126 GLY H . 7172 1 1674 . 1 1 126 126 GLY HA2 H 1 3.732 0.009 . 2 . . . . . 126 GLY HA2 . 7172 1 1675 . 1 1 126 126 GLY HA3 H 1 3.406 0.001 . 2 . . . . . 126 GLY HA3 . 7172 1 1676 . 1 1 126 126 GLY C C 13 174.07 0.02 . 1 . . . . . 126 GLY C . 7172 1 1677 . 1 1 126 126 GLY CA C 13 47.25 0.031 . 1 . . . . . 126 GLY CA . 7172 1 1678 . 1 1 126 126 GLY N N 15 111.384 0.034 . 1 . . . . . 126 GLY N . 7172 1 1679 . 1 1 127 127 ASP H H 1 8.009 0.004 . 1 . . . . . 127 ASP H . 7172 1 1680 . 1 1 127 127 ASP HA H 1 4.18 0.003 . 1 . . . . . 127 ASP HA . 7172 1 1681 . 1 1 127 127 ASP HB2 H 1 2.494 0.005 . 1 . . . . . 127 ASP HB2 . 7172 1 1682 . 1 1 127 127 ASP HB3 H 1 2.494 0.005 . 1 . . . . . 127 ASP HB3 . 7172 1 1683 . 1 1 127 127 ASP C C 13 177.423 0.02 . 1 . . . . . 127 ASP C . 7172 1 1684 . 1 1 127 127 ASP CA C 13 56.256 0.078 . 1 . . . . . 127 ASP CA . 7172 1 1685 . 1 1 127 127 ASP CB C 13 39.776 0.048 . 1 . . . . . 127 ASP CB . 7172 1 1686 . 1 1 127 127 ASP N N 15 118.727 0.004 . 1 . . . . . 127 ASP N . 7172 1 1687 . 1 1 128 128 GLU H H 1 7.523 0.007 . 1 . . . . . 128 GLU H . 7172 1 1688 . 1 1 128 128 GLU HA H 1 3.85 0.001 . 1 . . . . . 128 GLU HA . 7172 1 1689 . 1 1 128 128 GLU HB2 H 1 1.566 0.007 . 2 . . . . . 128 GLU HB2 . 7172 1 1690 . 1 1 128 128 GLU HB3 H 1 1.488 0.006 . 2 . . . . . 128 GLU HB3 . 7172 1 1691 . 1 1 128 128 GLU HG2 H 1 1.926 0.004 . 2 . . . . . 128 GLU HG2 . 7172 1 1692 . 1 1 128 128 GLU HG3 H 1 2.076 0.008 . 2 . . . . . 128 GLU HG3 . 7172 1 1693 . 1 1 128 128 GLU C C 13 177.293 0.02 . 1 . . . . . 128 GLU C . 7172 1 1694 . 1 1 128 128 GLU CA C 13 57.023 0.052 . 1 . . . . . 128 GLU CA . 7172 1 1695 . 1 1 128 128 GLU CB C 13 30.08 0.016 . 1 . . . . . 128 GLU CB . 7172 1 1696 . 1 1 128 128 GLU CG C 13 36.573 0.038 . 1 . . . . . 128 GLU CG . 7172 1 1697 . 1 1 128 128 GLU N N 15 117.268 0.035 . 1 . . . . . 128 GLU N . 7172 1 1698 . 1 1 129 129 LEU H H 1 7.188 0.005 . 1 . . . . . 129 LEU H . 7172 1 1699 . 1 1 129 129 LEU HA H 1 4.024 0.005 . 1 . . . . . 129 LEU HA . 7172 1 1700 . 1 1 129 129 LEU HB2 H 1 1.616 0.007 . 2 . . . . . 129 LEU HB2 . 7172 1 1701 . 1 1 129 129 LEU HB3 H 1 1.119 0.004 . 2 . . . . . 129 LEU HB3 . 7172 1 1702 . 1 1 129 129 LEU HG H 1 1.295 0.004 . 1 . . . . . 129 LEU HG . 7172 1 1703 . 1 1 129 129 LEU HD11 H 1 0.504 0.002 . 2 . . . . . 129 LEU HD1 . 7172 1 1704 . 1 1 129 129 LEU HD12 H 1 0.504 0.002 . 2 . . . . . 129 LEU HD1 . 7172 1 1705 . 1 1 129 129 LEU HD13 H 1 0.504 0.002 . 2 . . . . . 129 LEU HD1 . 7172 1 1706 . 1 1 129 129 LEU HD21 H 1 0.546 0.003 . 2 . . . . . 129 LEU HD2 . 7172 1 1707 . 1 1 129 129 LEU HD22 H 1 0.546 0.003 . 2 . . . . . 129 LEU HD2 . 7172 1 1708 . 1 1 129 129 LEU HD23 H 1 0.546 0.003 . 2 . . . . . 129 LEU HD2 . 7172 1 1709 . 1 1 129 129 LEU C C 13 174.7 0.02 . 1 . . . . . 129 LEU C . 7172 1 1710 . 1 1 129 129 LEU CA C 13 53.655 0.015 . 1 . . . . . 129 LEU CA . 7172 1 1711 . 1 1 129 129 LEU CB C 13 39.465 0.036 . 1 . . . . . 129 LEU CB . 7172 1 1712 . 1 1 129 129 LEU CD1 C 13 26.564 0.011 . 2 . . . . . 129 LEU CD1 . 7172 1 1713 . 1 1 129 129 LEU CD2 C 13 23.366 0.013 . 2 . . . . . 129 LEU CD2 . 7172 1 1714 . 1 1 129 129 LEU N N 15 118.562 0.016 . 1 . . . . . 129 LEU N . 7172 1 1715 . 1 1 130 130 THR H H 1 7.863 0.004 . 1 . . . . . 130 THR H . 7172 1 1716 . 1 1 130 130 THR HA H 1 4.302 0.003 . 1 . . . . . 130 THR HA . 7172 1 1717 . 1 1 130 130 THR HB H 1 4.692 0.007 . 1 . . . . . 130 THR HB . 7172 1 1718 . 1 1 130 130 THR HG21 H 1 1.17 0.004 . 1 . . . . . 130 THR HG2 . 7172 1 1719 . 1 1 130 130 THR HG22 H 1 1.17 0.004 . 1 . . . . . 130 THR HG2 . 7172 1 1720 . 1 1 130 130 THR HG23 H 1 1.17 0.004 . 1 . . . . . 130 THR HG2 . 7172 1 1721 . 1 1 130 130 THR C C 13 174.804 0.02 . 1 . . . . . 130 THR C . 7172 1 1722 . 1 1 130 130 THR CA C 13 59.814 0.043 . 1 . . . . . 130 THR CA . 7172 1 1723 . 1 1 130 130 THR CB C 13 71.413 0.054 . 1 . . . . . 130 THR CB . 7172 1 1724 . 1 1 130 130 THR CG2 C 13 21.922 0.005 . 1 . . . . . 130 THR CG2 . 7172 1 1725 . 1 1 130 130 THR N N 15 114.008 0.016 . 1 . . . . . 130 THR N . 7172 1 1726 . 1 1 131 131 ALA H H 1 8.773 0.006 . 1 . . . . . 131 ALA H . 7172 1 1727 . 1 1 131 131 ALA HA H 1 4.072 0.005 . 1 . . . . . 131 ALA HA . 7172 1 1728 . 1 1 131 131 ALA HB1 H 1 1.569 0.005 . 1 . . . . . 131 ALA HB . 7172 1 1729 . 1 1 131 131 ALA HB2 H 1 1.569 0.005 . 1 . . . . . 131 ALA HB . 7172 1 1730 . 1 1 131 131 ALA HB3 H 1 1.569 0.005 . 1 . . . . . 131 ALA HB . 7172 1 1731 . 1 1 131 131 ALA C C 13 180.107 0.02 . 1 . . . . . 131 ALA C . 7172 1 1732 . 1 1 131 131 ALA CA C 13 55.911 0.047 . 1 . . . . . 131 ALA CA . 7172 1 1733 . 1 1 131 131 ALA CB C 13 18.587 0.056 . 1 . . . . . 131 ALA CB . 7172 1 1734 . 1 1 131 131 ALA N N 15 122.694 0.025 . 1 . . . . . 131 ALA N . 7172 1 1735 . 1 1 132 132 ASP H H 1 8.225 0.005 . 1 . . . . . 132 ASP H . 7172 1 1736 . 1 1 132 132 ASP HA H 1 4.468 0.004 . 1 . . . . . 132 ASP HA . 7172 1 1737 . 1 1 132 132 ASP HB2 H 1 2.782 0.006 . 2 . . . . . 132 ASP HB2 . 7172 1 1738 . 1 1 132 132 ASP HB3 H 1 2.527 0.008 . 2 . . . . . 132 ASP HB3 . 7172 1 1739 . 1 1 132 132 ASP C C 13 177.303 0.02 . 1 . . . . . 132 ASP C . 7172 1 1740 . 1 1 132 132 ASP CA C 13 56.853 0.052 . 1 . . . . . 132 ASP CA . 7172 1 1741 . 1 1 132 132 ASP CB C 13 40.7 0.044 . 1 . . . . . 132 ASP CB . 7172 1 1742 . 1 1 132 132 ASP N N 15 116.509 0.008 . 1 . . . . . 132 ASP N . 7172 1 1743 . 1 1 133 133 PHE H H 1 7.776 0.005 . 1 . . . . . 133 PHE H . 7172 1 1744 . 1 1 133 133 PHE HA H 1 4.303 0.004 . 1 . . . . . 133 PHE HA . 7172 1 1745 . 1 1 133 133 PHE HB2 H 1 3.329 0.005 . 2 . . . . . 133 PHE HB2 . 7172 1 1746 . 1 1 133 133 PHE HB3 H 1 3.138 0.005 . 2 . . . . . 133 PHE HB3 . 7172 1 1747 . 1 1 133 133 PHE HD1 H 1 7.053 0.004 . 1 . . . . . 133 PHE HD1 . 7172 1 1748 . 1 1 133 133 PHE HD2 H 1 7.053 0.004 . 1 . . . . . 133 PHE HD2 . 7172 1 1749 . 1 1 133 133 PHE C C 13 177.503 0.02 . 1 . . . . . 133 PHE C . 7172 1 1750 . 1 1 133 133 PHE CA C 13 60.894 0.05 . 1 . . . . . 133 PHE CA . 7172 1 1751 . 1 1 133 133 PHE CB C 13 40.451 0.036 . 1 . . . . . 133 PHE CB . 7172 1 1752 . 1 1 133 133 PHE CD1 C 13 132.066 0.02 . 1 . . . . . 133 PHE CD1 . 7172 1 1753 . 1 1 133 133 PHE CD2 C 13 132.066 0.02 . 1 . . . . . 133 PHE CD2 . 7172 1 1754 . 1 1 133 133 PHE N N 15 121.559 0.013 . 1 . . . . . 133 PHE N . 7172 1 1755 . 1 1 134 134 LEU H H 1 8.092 0.006 . 1 . . . . . 134 LEU H . 7172 1 1756 . 1 1 134 134 LEU HA H 1 3.382 0.002 . 1 . . . . . 134 LEU HA . 7172 1 1757 . 1 1 134 134 LEU HB2 H 1 1.26 0.007 . 2 . . . . . 134 LEU HB2 . 7172 1 1758 . 1 1 134 134 LEU HB3 H 1 0.86 0.008 . 2 . . . . . 134 LEU HB3 . 7172 1 1759 . 1 1 134 134 LEU HG H 1 1.154 0.006 . 1 . . . . . 134 LEU HG . 7172 1 1760 . 1 1 134 134 LEU HD11 H 1 0.374 0.001 . 2 . . . . . 134 LEU HD1 . 7172 1 1761 . 1 1 134 134 LEU HD12 H 1 0.374 0.001 . 2 . . . . . 134 LEU HD1 . 7172 1 1762 . 1 1 134 134 LEU HD13 H 1 0.374 0.001 . 2 . . . . . 134 LEU HD1 . 7172 1 1763 . 1 1 134 134 LEU HD21 H 1 0.267 0.007 . 2 . . . . . 134 LEU HD2 . 7172 1 1764 . 1 1 134 134 LEU HD22 H 1 0.267 0.007 . 2 . . . . . 134 LEU HD2 . 7172 1 1765 . 1 1 134 134 LEU HD23 H 1 0.267 0.007 . 2 . . . . . 134 LEU HD2 . 7172 1 1766 . 1 1 134 134 LEU C C 13 177.802 0.02 . 1 . . . . . 134 LEU C . 7172 1 1767 . 1 1 134 134 LEU CA C 13 57.651 0.057 . 1 . . . . . 134 LEU CA . 7172 1 1768 . 1 1 134 134 LEU CB C 13 41.044 0.023 . 1 . . . . . 134 LEU CB . 7172 1 1769 . 1 1 134 134 LEU CG C 13 27.786 0.035 . 1 . . . . . 134 LEU CG . 7172 1 1770 . 1 1 134 134 LEU CD1 C 13 24.84 0.001 . 2 . . . . . 134 LEU CD1 . 7172 1 1771 . 1 1 134 134 LEU CD2 C 13 24.322 0.019 . 2 . . . . . 134 LEU CD2 . 7172 1 1772 . 1 1 134 134 LEU N N 15 118.6 0.028 . 1 . . . . . 134 LEU N . 7172 1 1773 . 1 1 135 135 TYR H H 1 7.92 0.005 . 1 . . . . . 135 TYR H . 7172 1 1774 . 1 1 135 135 TYR HA H 1 3.951 0.006 . 1 . . . . . 135 TYR HA . 7172 1 1775 . 1 1 135 135 TYR HB2 H 1 3.325 0.003 . 2 . . . . . 135 TYR HB2 . 7172 1 1776 . 1 1 135 135 TYR HB3 H 1 3.071 0.005 . 2 . . . . . 135 TYR HB3 . 7172 1 1777 . 1 1 135 135 TYR HD1 H 1 7.429 0.006 . 1 . . . . . 135 TYR HD1 . 7172 1 1778 . 1 1 135 135 TYR HD2 H 1 7.429 0.006 . 1 . . . . . 135 TYR HD2 . 7172 1 1779 . 1 1 135 135 TYR HE1 H 1 7.248 0.02 . 1 . . . . . 135 TYR HE1 . 7172 1 1780 . 1 1 135 135 TYR HE2 H 1 7.248 0.02 . 1 . . . . . 135 TYR HE2 . 7172 1 1781 . 1 1 135 135 TYR C C 13 177.238 0.02 . 1 . . . . . 135 TYR C . 7172 1 1782 . 1 1 135 135 TYR CA C 13 63.856 0.037 . 1 . . . . . 135 TYR CA . 7172 1 1783 . 1 1 135 135 TYR CB C 13 38.337 0.056 . 1 . . . . . 135 TYR CB . 7172 1 1784 . 1 1 135 135 TYR CD1 C 13 133.632 0.02 . 1 . . . . . 135 TYR CD1 . 7172 1 1785 . 1 1 135 135 TYR CD2 C 13 133.632 0.02 . 1 . . . . . 135 TYR CD2 . 7172 1 1786 . 1 1 135 135 TYR CE1 C 13 120.564 0.02 . 1 . . . . . 135 TYR CE1 . 7172 1 1787 . 1 1 135 135 TYR CE2 C 13 120.564 0.02 . 1 . . . . . 135 TYR CE2 . 7172 1 1788 . 1 1 135 135 TYR N N 15 119.191 0.009 . 1 . . . . . 135 TYR N . 7172 1 1789 . 1 1 136 136 ASP H H 1 7.831 0.006 . 1 . . . . . 136 ASP H . 7172 1 1790 . 1 1 136 136 ASP HA H 1 4.208 0.004 . 1 . . . . . 136 ASP HA . 7172 1 1791 . 1 1 136 136 ASP HB2 H 1 2.76 0.008 . 2 . . . . . 136 ASP HB2 . 7172 1 1792 . 1 1 136 136 ASP HB3 H 1 2.557 0.004 . 2 . . . . . 136 ASP HB3 . 7172 1 1793 . 1 1 136 136 ASP C C 13 178.328 0.02 . 1 . . . . . 136 ASP C . 7172 1 1794 . 1 1 136 136 ASP CA C 13 56.669 0.021 . 1 . . . . . 136 ASP CA . 7172 1 1795 . 1 1 136 136 ASP CB C 13 40.521 0.014 . 1 . . . . . 136 ASP CB . 7172 1 1796 . 1 1 136 136 ASP N N 15 117.887 0.033 . 1 . . . . . 136 ASP N . 7172 1 1797 . 1 1 137 137 GLU H H 1 7.676 0.005 . 1 . . . . . 137 GLU H . 7172 1 1798 . 1 1 137 137 GLU HA H 1 3.739 0.005 . 1 . . . . . 137 GLU HA . 7172 1 1799 . 1 1 137 137 GLU HB2 H 1 1.544 0.021 . 1 . . . . . 137 GLU HB2 . 7172 1 1800 . 1 1 137 137 GLU HB3 H 1 1.544 0.021 . 1 . . . . . 137 GLU HB3 . 7172 1 1801 . 1 1 137 137 GLU HG2 H 1 1.512 0.005 . 2 . . . . . 137 GLU HG2 . 7172 1 1802 . 1 1 137 137 GLU HG3 H 1 1.239 0.006 . 2 . . . . . 137 GLU HG3 . 7172 1 1803 . 1 1 137 137 GLU C C 13 178.53 0.02 . 1 . . . . . 137 GLU C . 7172 1 1804 . 1 1 137 137 GLU CA C 13 57.791 0.038 . 1 . . . . . 137 GLU CA . 7172 1 1805 . 1 1 137 137 GLU CB C 13 29.886 0.058 . 1 . . . . . 137 GLU CB . 7172 1 1806 . 1 1 137 137 GLU CG C 13 35.967 0.027 . 1 . . . . . 137 GLU CG . 7172 1 1807 . 1 1 137 137 GLU N N 15 117.498 0.007 . 1 . . . . . 137 GLU N . 7172 1 1808 . 1 1 138 138 VAL H H 1 7.879 0.006 . 1 . . . . . 138 VAL H . 7172 1 1809 . 1 1 138 138 VAL HA H 1 3.191 0.006 . 1 . . . . . 138 VAL HA . 7172 1 1810 . 1 1 138 138 VAL HB H 1 1.575 0.004 . 1 . . . . . 138 VAL HB . 7172 1 1811 . 1 1 138 138 VAL HG11 H 1 0.678 0.008 . 2 . . . . . 138 VAL HG1 . 7172 1 1812 . 1 1 138 138 VAL HG12 H 1 0.678 0.008 . 2 . . . . . 138 VAL HG1 . 7172 1 1813 . 1 1 138 138 VAL HG13 H 1 0.678 0.008 . 2 . . . . . 138 VAL HG1 . 7172 1 1814 . 1 1 138 138 VAL HG21 H 1 0.076 0.008 . 2 . . . . . 138 VAL HG2 . 7172 1 1815 . 1 1 138 138 VAL HG22 H 1 0.076 0.008 . 2 . . . . . 138 VAL HG2 . 7172 1 1816 . 1 1 138 138 VAL HG23 H 1 0.076 0.008 . 2 . . . . . 138 VAL HG2 . 7172 1 1817 . 1 1 138 138 VAL C C 13 174.685 0.02 . 1 . . . . . 138 VAL C . 7172 1 1818 . 1 1 138 138 VAL CA C 13 65.736 0.04 . 1 . . . . . 138 VAL CA . 7172 1 1819 . 1 1 138 138 VAL CB C 13 32.34 0.042 . 1 . . . . . 138 VAL CB . 7172 1 1820 . 1 1 138 138 VAL CG1 C 13 24.002 0.024 . 2 . . . . . 138 VAL CG1 . 7172 1 1821 . 1 1 138 138 VAL CG2 C 13 21.81 0.003 . 2 . . . . . 138 VAL CG2 . 7172 1 1822 . 1 1 138 138 VAL N N 15 118.371 0.025 . 1 . . . . . 138 VAL N . 7172 1 1823 . 1 1 139 139 HIS H H 1 8.306 0.005 . 1 . . . . . 139 HIS H . 7172 1 1824 . 1 1 139 139 HIS HA H 1 4.76 0.02 . 1 . . . . . 139 HIS HA . 7172 1 1825 . 1 1 139 139 HIS HB2 H 1 2.421 0.02 . 1 . . . . . 139 HIS HB2 . 7172 1 1826 . 1 1 139 139 HIS HB3 H 1 2.421 0.02 . 1 . . . . . 139 HIS HB3 . 7172 1 1827 . 1 1 139 139 HIS HD2 H 1 6.102 0.004 . 1 . . . . . 139 HIS HD2 . 7172 1 1828 . 1 1 139 139 HIS HE1 H 1 7.843 0.02 . 1 . . . . . 139 HIS HE1 . 7172 1 1829 . 1 1 139 139 HIS C C 13 170.553 0.02 . 1 . . . . . 139 HIS C . 7172 1 1830 . 1 1 139 139 HIS CA C 13 51.982 0.06 . 1 . . . . . 139 HIS CA . 7172 1 1831 . 1 1 139 139 HIS CB C 13 27.498 0.036 . 1 . . . . . 139 HIS CB . 7172 1 1832 . 1 1 139 139 HIS CD2 C 13 122.775 0.02 . 1 . . . . . 139 HIS CD2 . 7172 1 1833 . 1 1 139 139 HIS CE1 C 13 138.108 0.02 . 1 . . . . . 139 HIS CE1 . 7172 1 1834 . 1 1 139 139 HIS N N 15 118.13 0.019 . 1 . . . . . 139 HIS N . 7172 1 1835 . 1 1 140 140 PRO HA H 1 4.58 0.001 . 1 . . . . . 140 PRO HA . 7172 1 1836 . 1 1 140 140 PRO HB2 H 1 1.889 0.004 . 2 . . . . . 140 PRO HB2 . 7172 1 1837 . 1 1 140 140 PRO HB3 H 1 2.285 0.008 . 2 . . . . . 140 PRO HB3 . 7172 1 1838 . 1 1 140 140 PRO HG2 H 1 1.859 0.006 . 1 . . . . . 140 PRO HG2 . 7172 1 1839 . 1 1 140 140 PRO HG3 H 1 1.859 0.006 . 1 . . . . . 140 PRO HG3 . 7172 1 1840 . 1 1 140 140 PRO HD2 H 1 3.363 0.004 . 2 . . . . . 140 PRO HD2 . 7172 1 1841 . 1 1 140 140 PRO HD3 H 1 3.155 0.005 . 2 . . . . . 140 PRO HD3 . 7172 1 1842 . 1 1 140 140 PRO C C 13 177.841 0.02 . 1 . . . . . 140 PRO C . 7172 1 1843 . 1 1 140 140 PRO CA C 13 63.273 0.01 . 1 . . . . . 140 PRO CA . 7172 1 1844 . 1 1 140 140 PRO CB C 13 32.414 0.023 . 1 . . . . . 140 PRO CB . 7172 1 1845 . 1 1 140 140 PRO CG C 13 27.168 0.011 . 1 . . . . . 140 PRO CG . 7172 1 1846 . 1 1 140 140 PRO CD C 13 50.293 0.018 . 1 . . . . . 140 PRO CD . 7172 1 1847 . 1 1 141 141 LYS H H 1 8.605 0.006 . 1 . . . . . 141 LYS H . 7172 1 1848 . 1 1 141 141 LYS HA H 1 4.31 0.002 . 1 . . . . . 141 LYS HA . 7172 1 1849 . 1 1 141 141 LYS HB2 H 1 1.894 0.003 . 2 . . . . . 141 LYS HB2 . 7172 1 1850 . 1 1 141 141 LYS HB3 H 1 1.81 0.006 . 2 . . . . . 141 LYS HB3 . 7172 1 1851 . 1 1 141 141 LYS HG2 H 1 1.585 0.001 . 1 . . . . . 141 LYS HG2 . 7172 1 1852 . 1 1 141 141 LYS HG3 H 1 1.585 0.001 . 1 . . . . . 141 LYS HG3 . 7172 1 1853 . 1 1 141 141 LYS HD2 H 1 1.755 0.005 . 1 . . . . . 141 LYS HD2 . 7172 1 1854 . 1 1 141 141 LYS HD3 H 1 1.755 0.005 . 1 . . . . . 141 LYS HD3 . 7172 1 1855 . 1 1 141 141 LYS HE2 H 1 3.09 0.005 . 1 . . . . . 141 LYS HE2 . 7172 1 1856 . 1 1 141 141 LYS HE3 H 1 3.09 0.005 . 1 . . . . . 141 LYS HE3 . 7172 1 1857 . 1 1 141 141 LYS C C 13 176.251 0.02 . 1 . . . . . 141 LYS C . 7172 1 1858 . 1 1 141 141 LYS CA C 13 56.744 0.071 . 1 . . . . . 141 LYS CA . 7172 1 1859 . 1 1 141 141 LYS CB C 13 33.002 0.017 . 1 . . . . . 141 LYS CB . 7172 1 1860 . 1 1 141 141 LYS CG C 13 24.938 0.018 . 1 . . . . . 141 LYS CG . 7172 1 1861 . 1 1 141 141 LYS CD C 13 29.174 0.004 . 1 . . . . . 141 LYS CD . 7172 1 1862 . 1 1 141 141 LYS CE C 13 42.349 0.037 . 1 . . . . . 141 LYS CE . 7172 1 1863 . 1 1 141 141 LYS N N 15 122.786 0.029 . 1 . . . . . 141 LYS N . 7172 1 1864 . 1 1 142 142 GLN H H 1 8.037 0.004 . 1 . . . . . 142 GLN H . 7172 1 1865 . 1 1 142 142 GLN HA H 1 4.191 0.007 . 1 . . . . . 142 GLN HA . 7172 1 1866 . 1 1 142 142 GLN HB2 H 1 2.116 0.006 . 2 . . . . . 142 GLN HB2 . 7172 1 1867 . 1 1 142 142 GLN HB3 H 1 1.928 0.007 . 2 . . . . . 142 GLN HB3 . 7172 1 1868 . 1 1 142 142 GLN HG2 H 1 2.297 0.008 . 1 . . . . . 142 GLN HG2 . 7172 1 1869 . 1 1 142 142 GLN HG3 H 1 2.297 0.008 . 1 . . . . . 142 GLN HG3 . 7172 1 1870 . 1 1 142 142 GLN HE21 H 1 7.537 0.002 . 2 . . . . . 142 GLN HE21 . 7172 1 1871 . 1 1 142 142 GLN HE22 H 1 6.874 0.002 . 2 . . . . . 142 GLN HE22 . 7172 1 1872 . 1 1 142 142 GLN CA C 13 57.197 0.027 . 1 . . . . . 142 GLN CA . 7172 1 1873 . 1 1 142 142 GLN CB C 13 30.694 0.04 . 1 . . . . . 142 GLN CB . 7172 1 1874 . 1 1 142 142 GLN CG C 13 34.373 0.012 . 1 . . . . . 142 GLN CG . 7172 1 1875 . 1 1 142 142 GLN CD C 13 181.36 0.01 . 1 . . . . . 142 GLN CD . 7172 1 1876 . 1 1 142 142 GLN N N 15 126.823 0.005 . 1 . . . . . 142 GLN N . 7172 1 1877 . 1 1 142 142 GLN NE2 N 15 112.509 0.005 . 1 . . . . . 142 GLN NE2 . 7172 1 stop_ save_