data_34704 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34704 _Entry.Title ; Solution structure of the DNA-binding minor pilin FimT from Legionella pneumophila ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-28 _Entry.Accession_date 2022-01-28 _Entry.Last_release_date 2022-02-21 _Entry.Original_release_date 2022-02-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 S. Braus S. A.G. . . 34704 2 M. Hospenthal M. K. . . 34704 3 A. Gossert A. D. . . 34704 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34704 'type IV pilin' . 34704 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34704 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 34704 '15N chemical shifts' 139 34704 '1H chemical shifts' 926 34704 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-06-02 2022-01-28 update BMRB 'update entry citation' 34704 1 . . 2022-02-25 2022-01-28 original author 'original release' 34704 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QYI 'BMRB Entry Tracking System' 34704 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34704 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35246533 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The molecular basis of FimT-mediated DNA uptake during bacterial natural transformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 1065 _Citation.Page_last 1065 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastian Braus . . . . 34704 1 2 Francesca Short F. L. . . 34704 1 3 Stefanie Holz S. . . . 34704 1 4 Matthew Stedman . . . . 34704 1 5 Alvar Gossert A. D. . . 34704 1 6 Manuela Hospenthal M. K. . . 34704 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34704 _Assembly.ID 1 _Assembly.Name 'Pilus assembly protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34704 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34704 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IQNNERETLVNSIKTAIQYS KIQAIHLGHPIYLLPFGSNE NWSRGMVLAKLNQTTNKTEL IHQWQWSSNSWNINWKGVDS NHRIIISNIPNRAMSNGKFI LNNKRTNEKVVVTLNRLGRV RVGGN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14379.359 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 28 ILE . 34704 1 2 29 GLN . 34704 1 3 30 ASN . 34704 1 4 31 ASN . 34704 1 5 32 GLU . 34704 1 6 33 ARG . 34704 1 7 34 GLU . 34704 1 8 35 THR . 34704 1 9 36 LEU . 34704 1 10 37 VAL . 34704 1 11 38 ASN . 34704 1 12 39 SER . 34704 1 13 40 ILE . 34704 1 14 41 LYS . 34704 1 15 42 THR . 34704 1 16 43 ALA . 34704 1 17 44 ILE . 34704 1 18 45 GLN . 34704 1 19 46 TYR . 34704 1 20 47 SER . 34704 1 21 48 LYS . 34704 1 22 49 ILE . 34704 1 23 50 GLN . 34704 1 24 51 ALA . 34704 1 25 52 ILE . 34704 1 26 53 HIS . 34704 1 27 54 LEU . 34704 1 28 55 GLY . 34704 1 29 56 HIS . 34704 1 30 57 PRO . 34704 1 31 58 ILE . 34704 1 32 59 TYR . 34704 1 33 60 LEU . 34704 1 34 61 LEU . 34704 1 35 62 PRO . 34704 1 36 63 PHE . 34704 1 37 64 GLY . 34704 1 38 65 SER . 34704 1 39 66 ASN . 34704 1 40 67 GLU . 34704 1 41 68 ASN . 34704 1 42 69 TRP . 34704 1 43 70 SER . 34704 1 44 71 ARG . 34704 1 45 72 GLY . 34704 1 46 73 MET . 34704 1 47 74 VAL . 34704 1 48 75 LEU . 34704 1 49 76 ALA . 34704 1 50 77 LYS . 34704 1 51 78 LEU . 34704 1 52 79 ASN . 34704 1 53 80 GLN . 34704 1 54 81 THR . 34704 1 55 82 THR . 34704 1 56 83 ASN . 34704 1 57 84 LYS . 34704 1 58 85 THR . 34704 1 59 86 GLU . 34704 1 60 87 LEU . 34704 1 61 88 ILE . 34704 1 62 89 HIS . 34704 1 63 90 GLN . 34704 1 64 91 TRP . 34704 1 65 92 GLN . 34704 1 66 93 TRP . 34704 1 67 94 SER . 34704 1 68 95 SER . 34704 1 69 96 ASN . 34704 1 70 97 SER . 34704 1 71 98 TRP . 34704 1 72 99 ASN . 34704 1 73 100 ILE . 34704 1 74 101 ASN . 34704 1 75 102 TRP . 34704 1 76 103 LYS . 34704 1 77 104 GLY . 34704 1 78 105 VAL . 34704 1 79 106 ASP . 34704 1 80 107 SER . 34704 1 81 108 ASN . 34704 1 82 109 HIS . 34704 1 83 110 ARG . 34704 1 84 111 ILE . 34704 1 85 112 ILE . 34704 1 86 113 ILE . 34704 1 87 114 SER . 34704 1 88 115 ASN . 34704 1 89 116 ILE . 34704 1 90 117 PRO . 34704 1 91 118 ASN . 34704 1 92 119 ARG . 34704 1 93 120 ALA . 34704 1 94 121 MET . 34704 1 95 122 SER . 34704 1 96 123 ASN . 34704 1 97 124 GLY . 34704 1 98 125 LYS . 34704 1 99 126 PHE . 34704 1 100 127 ILE . 34704 1 101 128 LEU . 34704 1 102 129 ASN . 34704 1 103 130 ASN . 34704 1 104 131 LYS . 34704 1 105 132 ARG . 34704 1 106 133 THR . 34704 1 107 134 ASN . 34704 1 108 135 GLU . 34704 1 109 136 LYS . 34704 1 110 137 VAL . 34704 1 111 138 VAL . 34704 1 112 139 VAL . 34704 1 113 140 THR . 34704 1 114 141 LEU . 34704 1 115 142 ASN . 34704 1 116 143 ARG . 34704 1 117 144 LEU . 34704 1 118 145 GLY . 34704 1 119 146 ARG . 34704 1 120 147 VAL . 34704 1 121 148 ARG . 34704 1 122 149 VAL . 34704 1 123 150 GLY . 34704 1 124 151 GLY . 34704 1 125 152 ASN . 34704 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 . ILE 1 1 34704 1 . GLN 2 2 34704 1 . ASN 3 3 34704 1 . ASN 4 4 34704 1 . GLU 5 5 34704 1 . ARG 6 6 34704 1 . GLU 7 7 34704 1 . THR 8 8 34704 1 . LEU 9 9 34704 1 . VAL 10 10 34704 1 . ASN 11 11 34704 1 . SER 12 12 34704 1 . ILE 13 13 34704 1 . LYS 14 14 34704 1 . THR 15 15 34704 1 . ALA 16 16 34704 1 . ILE 17 17 34704 1 . GLN 18 18 34704 1 . TYR 19 19 34704 1 . SER 20 20 34704 1 . LYS 21 21 34704 1 . ILE 22 22 34704 1 . GLN 23 23 34704 1 . ALA 24 24 34704 1 . ILE 25 25 34704 1 . HIS 26 26 34704 1 . LEU 27 27 34704 1 . GLY 28 28 34704 1 . HIS 29 29 34704 1 . PRO 30 30 34704 1 . ILE 31 31 34704 1 . TYR 32 32 34704 1 . LEU 33 33 34704 1 . LEU 34 34 34704 1 . PRO 35 35 34704 1 . PHE 36 36 34704 1 . GLY 37 37 34704 1 . SER 38 38 34704 1 . ASN 39 39 34704 1 . GLU 40 40 34704 1 . ASN 41 41 34704 1 . TRP 42 42 34704 1 . SER 43 43 34704 1 . ARG 44 44 34704 1 . GLY 45 45 34704 1 . MET 46 46 34704 1 . VAL 47 47 34704 1 . LEU 48 48 34704 1 . ALA 49 49 34704 1 . LYS 50 50 34704 1 . LEU 51 51 34704 1 . ASN 52 52 34704 1 . GLN 53 53 34704 1 . THR 54 54 34704 1 . THR 55 55 34704 1 . ASN 56 56 34704 1 . LYS 57 57 34704 1 . THR 58 58 34704 1 . GLU 59 59 34704 1 . LEU 60 60 34704 1 . ILE 61 61 34704 1 . HIS 62 62 34704 1 . GLN 63 63 34704 1 . TRP 64 64 34704 1 . GLN 65 65 34704 1 . TRP 66 66 34704 1 . SER 67 67 34704 1 . SER 68 68 34704 1 . ASN 69 69 34704 1 . SER 70 70 34704 1 . TRP 71 71 34704 1 . ASN 72 72 34704 1 . ILE 73 73 34704 1 . ASN 74 74 34704 1 . TRP 75 75 34704 1 . LYS 76 76 34704 1 . GLY 77 77 34704 1 . VAL 78 78 34704 1 . ASP 79 79 34704 1 . SER 80 80 34704 1 . ASN 81 81 34704 1 . HIS 82 82 34704 1 . ARG 83 83 34704 1 . ILE 84 84 34704 1 . ILE 85 85 34704 1 . ILE 86 86 34704 1 . SER 87 87 34704 1 . ASN 88 88 34704 1 . ILE 89 89 34704 1 . PRO 90 90 34704 1 . ASN 91 91 34704 1 . ARG 92 92 34704 1 . ALA 93 93 34704 1 . MET 94 94 34704 1 . SER 95 95 34704 1 . ASN 96 96 34704 1 . GLY 97 97 34704 1 . LYS 98 98 34704 1 . PHE 99 99 34704 1 . ILE 100 100 34704 1 . LEU 101 101 34704 1 . ASN 102 102 34704 1 . ASN 103 103 34704 1 . LYS 104 104 34704 1 . ARG 105 105 34704 1 . THR 106 106 34704 1 . ASN 107 107 34704 1 . GLU 108 108 34704 1 . LYS 109 109 34704 1 . VAL 110 110 34704 1 . VAL 111 111 34704 1 . VAL 112 112 34704 1 . THR 113 113 34704 1 . LEU 114 114 34704 1 . ASN 115 115 34704 1 . ARG 116 116 34704 1 . LEU 117 117 34704 1 . GLY 118 118 34704 1 . ARG 119 119 34704 1 . VAL 120 120 34704 1 . ARG 121 121 34704 1 . VAL 122 122 34704 1 . GLY 123 123 34704 1 . GLY 124 124 34704 1 . ASN 125 125 34704 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 34704 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 446 organisms . 'Legionella pneumophila' 'Legionella pneumophila' . . Bacteria . Legionella pneumophila . . . . . . . . . . . C3927_06370 . 34704 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 34704 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34704 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34704 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '580 uM [U-13C; U-15N] FimT, 25 mM NaPi, 150 mM sodium chloride, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FimT '[U-13C; U-15N]' . . 1 $entity_1 . . 580 . . uM . . . . 34704 1 2 NaPi 'natural abundance' . . . . . . 25 . . mM . . . . 34704 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34704 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34704 _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' 150 . mM 34704 1 pH 7.2 . pH 34704 1 pressure 1 . Pa 34704 1 temperature 298 . K 34704 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34704 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34704 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34704 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34704 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.51 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34704 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34704 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34704 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34704 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34704 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34704 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version 20 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34704 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 34704 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34704 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version 4.07 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34704 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34704 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34704 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34704 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34704 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34704 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 900 . . . 34704 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 600 . . . 34704 1 3 NMR_spectrometer_3 Bruker 'AVANCE NEO' . 700 . . . 34704 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34704 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NOESY combined' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34704 1 2 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34704 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34704 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34704 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34704 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34704 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34704 _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 0.000 internal indirect 0.251449530 . . . . . 34704 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34704 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34704 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34704 _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 $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '3D NOESY combined' . . . 34704 1 2 '3D HCCH-TOCSY' . . . 34704 1 3 '3D HNCACB' . . . 34704 1 4 '3D CBCA(CO)NH' . . . 34704 1 5 '2D 1H-13C HSQC' . . . 34704 1 6 '2D 1H-15N HSQC' . . . 34704 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ILE HA H 1 3.737 0.020 . 1 . . . . A 28 ILE HA . 34704 1 2 . 1 . 1 1 1 ILE HB H 1 1.908 0.020 . 1 . . . . A 28 ILE HB . 34704 1 3 . 1 . 1 1 1 ILE HG12 H 1 1.493 0.020 . 2 . . . . A 28 ILE HG12 . 34704 1 4 . 1 . 1 1 1 ILE HG13 H 1 1.219 0.020 . 2 . . . . A 28 ILE HG13 . 34704 1 5 . 1 . 1 1 1 ILE HG21 H 1 0.981 0.020 . 1 . . . . A 28 ILE HG21 . 34704 1 6 . 1 . 1 1 1 ILE HG22 H 1 0.981 0.020 . 1 . . . . A 28 ILE HG22 . 34704 1 7 . 1 . 1 1 1 ILE HG23 H 1 0.981 0.020 . 1 . . . . A 28 ILE HG23 . 34704 1 8 . 1 . 1 1 1 ILE HD11 H 1 0.928 0.020 . 1 . . . . A 28 ILE HD11 . 34704 1 9 . 1 . 1 1 1 ILE HD12 H 1 0.928 0.020 . 1 . . . . A 28 ILE HD12 . 34704 1 10 . 1 . 1 1 1 ILE HD13 H 1 0.928 0.020 . 1 . . . . A 28 ILE HD13 . 34704 1 11 . 1 . 1 1 1 ILE CA C 13 60.783 0.3 . 1 . . . . A 28 ILE CA . 34704 1 12 . 1 . 1 1 1 ILE CB C 13 39.598 0.3 . 1 . . . . A 28 ILE CB . 34704 1 13 . 1 . 1 1 1 ILE CG1 C 13 26.652 0.3 . 1 . . . . A 28 ILE CG1 . 34704 1 14 . 1 . 1 1 1 ILE CG2 C 13 16.982 0.3 . 1 . . . . A 28 ILE CG2 . 34704 1 15 . 1 . 1 1 1 ILE CD1 C 13 13.188 0.3 . 1 . . . . A 28 ILE CD1 . 34704 1 16 . 1 . 1 2 2 GLN HA H 1 4.845 0.020 . 1 . . . . A 29 GLN HA . 34704 1 17 . 1 . 1 2 2 GLN HB2 H 1 2.166 0.020 . 2 . . . . A 29 GLN HB2 . 34704 1 18 . 1 . 1 2 2 GLN HB3 H 1 1.936 0.020 . 2 . . . . A 29 GLN HB3 . 34704 1 19 . 1 . 1 2 2 GLN HG2 H 1 2.639 0.020 . 2 . . . . A 29 GLN HG2 . 34704 1 20 . 1 . 1 2 2 GLN HG3 H 1 2.571 0.020 . 2 . . . . A 29 GLN HG3 . 34704 1 21 . 1 . 1 2 2 GLN HE21 H 1 7.823 0.020 . 1 . . . . A 29 GLN HE21 . 34704 1 22 . 1 . 1 2 2 GLN HE22 H 1 6.693 0.020 . 1 . . . . A 29 GLN HE22 . 34704 1 23 . 1 . 1 2 2 GLN CA C 13 55.200 0.3 . 1 . . . . A 29 GLN CA . 34704 1 24 . 1 . 1 2 2 GLN CB C 13 34.304 0.3 . 1 . . . . A 29 GLN CB . 34704 1 25 . 1 . 1 2 2 GLN CG C 13 32.326 0.3 . 1 . . . . A 29 GLN CG . 34704 1 26 . 1 . 1 2 2 GLN NE2 N 15 112.248 0.3 . 1 . . . . A 29 GLN NE2 . 34704 1 27 . 1 . 1 3 3 ASN HA H 1 4.749 0.020 . 1 . . . . A 30 ASN HA . 34704 1 28 . 1 . 1 3 3 ASN HB2 H 1 2.862 0.020 . 2 . . . . A 30 ASN HB2 . 34704 1 29 . 1 . 1 3 3 ASN HB3 H 1 2.798 0.020 . 2 . . . . A 30 ASN HB3 . 34704 1 30 . 1 . 1 3 3 ASN HD21 H 1 7.725 0.020 . 1 . . . . A 30 ASN HD21 . 34704 1 31 . 1 . 1 3 3 ASN HD22 H 1 7.045 0.020 . 1 . . . . A 30 ASN HD22 . 34704 1 32 . 1 . 1 3 3 ASN CA C 13 53.301 0.3 . 1 . . . . A 30 ASN CA . 34704 1 33 . 1 . 1 3 3 ASN CB C 13 39.084 0.3 . 1 . . . . A 30 ASN CB . 34704 1 34 . 1 . 1 3 3 ASN ND2 N 15 113.331 0.3 . 1 . . . . A 30 ASN ND2 . 34704 1 35 . 1 . 1 4 4 ASN HA H 1 4.998 0.020 . 1 . . . . A 31 ASN HA . 34704 1 36 . 1 . 1 4 4 ASN HB2 H 1 2.920 0.020 . 1 . . . . A 31 ASN HB2 . 34704 1 37 . 1 . 1 4 4 ASN HB3 H 1 2.920 0.020 . 1 . . . . A 31 ASN HB3 . 34704 1 38 . 1 . 1 4 4 ASN HD21 H 1 6.879 0.020 . 1 . . . . A 31 ASN HD21 . 34704 1 39 . 1 . 1 4 4 ASN HD22 H 1 7.683 0.020 . 1 . . . . A 31 ASN HD22 . 34704 1 40 . 1 . 1 4 4 ASN CA C 13 51.666 0.3 . 1 . . . . A 31 ASN CA . 34704 1 41 . 1 . 1 4 4 ASN CB C 13 38.714 0.3 . 1 . . . . A 31 ASN CB . 34704 1 42 . 1 . 1 4 4 ASN ND2 N 15 112.624 0.3 . 1 . . . . A 31 ASN ND2 . 34704 1 43 . 1 . 1 5 5 GLU HA H 1 4.004 0.020 . 1 . . . . A 32 GLU HA . 34704 1 44 . 1 . 1 5 5 GLU HB2 H 1 2.275 0.020 . 2 . . . . A 32 GLU HB2 . 34704 1 45 . 1 . 1 5 5 GLU HB3 H 1 2.180 0.020 . 2 . . . . A 32 GLU HB3 . 34704 1 46 . 1 . 1 5 5 GLU HG2 H 1 2.523 0.020 . 2 . . . . A 32 GLU HG2 . 34704 1 47 . 1 . 1 5 5 GLU HG3 H 1 2.312 0.020 . 2 . . . . A 32 GLU HG3 . 34704 1 48 . 1 . 1 5 5 GLU CA C 13 59.792 0.3 . 1 . . . . A 32 GLU CA . 34704 1 49 . 1 . 1 5 5 GLU CB C 13 30.252 0.3 . 1 . . . . A 32 GLU CB . 34704 1 50 . 1 . 1 5 5 GLU CG C 13 36.817 0.3 . 1 . . . . A 32 GLU CG . 34704 1 51 . 1 . 1 6 6 ARG H H 1 8.265 0.020 . 1 . . . . A 33 ARG H . 34704 1 52 . 1 . 1 6 6 ARG HA H 1 2.984 0.020 . 1 . . . . A 33 ARG HA . 34704 1 53 . 1 . 1 6 6 ARG HB2 H 1 1.791 0.020 . 2 . . . . A 33 ARG HB2 . 34704 1 54 . 1 . 1 6 6 ARG HB3 H 1 1.749 0.020 . 2 . . . . A 33 ARG HB3 . 34704 1 55 . 1 . 1 6 6 ARG HG2 H 1 1.070 0.020 . 2 . . . . A 33 ARG HG2 . 34704 1 56 . 1 . 1 6 6 ARG HG3 H 1 0.900 0.020 . 2 . . . . A 33 ARG HG3 . 34704 1 57 . 1 . 1 6 6 ARG HD2 H 1 3.102 0.020 . 2 . . . . A 33 ARG HD2 . 34704 1 58 . 1 . 1 6 6 ARG HD3 H 1 3.054 0.020 . 2 . . . . A 33 ARG HD3 . 34704 1 59 . 1 . 1 6 6 ARG HE H 1 6.947 0.020 . 1 . . . . A 33 ARG HE . 34704 1 60 . 1 . 1 6 6 ARG CA C 13 59.483 0.3 . 1 . . . . A 33 ARG CA . 34704 1 61 . 1 . 1 6 6 ARG CB C 13 29.842 0.3 . 1 . . . . A 33 ARG CB . 34704 1 62 . 1 . 1 6 6 ARG CG C 13 25.903 0.3 . 1 . . . . A 33 ARG CG . 34704 1 63 . 1 . 1 6 6 ARG CD C 13 43.443 0.3 . 1 . . . . A 33 ARG CD . 34704 1 64 . 1 . 1 6 6 ARG N N 15 119.533 0.3 . 1 . . . . A 33 ARG N . 34704 1 65 . 1 . 1 7 7 GLU H H 1 7.982 0.020 . 1 . . . . A 34 GLU H . 34704 1 66 . 1 . 1 7 7 GLU HA H 1 3.804 0.020 . 1 . . . . A 34 GLU HA . 34704 1 67 . 1 . 1 7 7 GLU HB2 H 1 1.984 0.020 . 2 . . . . A 34 GLU HB2 . 34704 1 68 . 1 . 1 7 7 GLU HB3 H 1 1.956 0.020 . 2 . . . . A 34 GLU HB3 . 34704 1 69 . 1 . 1 7 7 GLU HG2 H 1 2.275 0.020 . 2 . . . . A 34 GLU HG2 . 34704 1 70 . 1 . 1 7 7 GLU HG3 H 1 2.250 0.020 . 2 . . . . A 34 GLU HG3 . 34704 1 71 . 1 . 1 7 7 GLU CA C 13 58.953 0.3 . 1 . . . . A 34 GLU CA . 34704 1 72 . 1 . 1 7 7 GLU CB C 13 29.348 0.3 . 1 . . . . A 34 GLU CB . 34704 1 73 . 1 . 1 7 7 GLU CG C 13 36.664 0.3 . 1 . . . . A 34 GLU CG . 34704 1 74 . 1 . 1 7 7 GLU N N 15 116.895 0.3 . 1 . . . . A 34 GLU N . 34704 1 75 . 1 . 1 8 8 THR H H 1 8.064 0.020 . 1 . . . . A 35 THR H . 34704 1 76 . 1 . 1 8 8 THR HA H 1 3.887 0.020 . 1 . . . . A 35 THR HA . 34704 1 77 . 1 . 1 8 8 THR HB H 1 4.187 0.020 . 1 . . . . A 35 THR HB . 34704 1 78 . 1 . 1 8 8 THR HG1 H 1 5.100 0.020 . 1 . . . . A 35 THR HG1 . 34704 1 79 . 1 . 1 8 8 THR HG21 H 1 1.202 0.020 . 1 . . . . A 35 THR HG21 . 34704 1 80 . 1 . 1 8 8 THR HG22 H 1 1.202 0.020 . 1 . . . . A 35 THR HG22 . 34704 1 81 . 1 . 1 8 8 THR HG23 H 1 1.202 0.020 . 1 . . . . A 35 THR HG23 . 34704 1 82 . 1 . 1 8 8 THR CA C 13 66.238 0.3 . 1 . . . . A 35 THR CA . 34704 1 83 . 1 . 1 8 8 THR CB C 13 68.444 0.3 . 1 . . . . A 35 THR CB . 34704 1 84 . 1 . 1 8 8 THR CG2 C 13 21.458 0.3 . 1 . . . . A 35 THR CG2 . 34704 1 85 . 1 . 1 8 8 THR N N 15 115.668 0.3 . 1 . . . . A 35 THR N . 34704 1 86 . 1 . 1 9 9 LEU H H 1 7.945 0.020 . 1 . . . . A 36 LEU H . 34704 1 87 . 1 . 1 9 9 LEU HA H 1 3.622 0.020 . 1 . . . . A 36 LEU HA . 34704 1 88 . 1 . 1 9 9 LEU HB2 H 1 1.259 0.020 . 2 . . . . A 36 LEU HB2 . 34704 1 89 . 1 . 1 9 9 LEU HB3 H 1 0.857 0.020 . 2 . . . . A 36 LEU HB3 . 34704 1 90 . 1 . 1 9 9 LEU HG H 1 1.122 0.020 . 1 . . . . A 36 LEU HG . 34704 1 91 . 1 . 1 9 9 LEU HD11 H 1 0.188 0.020 . 2 . . . . A 36 LEU HD11 . 34704 1 92 . 1 . 1 9 9 LEU HD12 H 1 0.188 0.020 . 2 . . . . A 36 LEU HD12 . 34704 1 93 . 1 . 1 9 9 LEU HD13 H 1 0.188 0.020 . 2 . . . . A 36 LEU HD13 . 34704 1 94 . 1 . 1 9 9 LEU HD21 H 1 0.193 0.020 . 2 . . . . A 36 LEU HD21 . 34704 1 95 . 1 . 1 9 9 LEU HD22 H 1 0.193 0.020 . 2 . . . . A 36 LEU HD22 . 34704 1 96 . 1 . 1 9 9 LEU HD23 H 1 0.193 0.020 . 2 . . . . A 36 LEU HD23 . 34704 1 97 . 1 . 1 9 9 LEU CA C 13 57.902 0.3 . 1 . . . . A 36 LEU CA . 34704 1 98 . 1 . 1 9 9 LEU CB C 13 41.511 0.3 . 1 . . . . A 36 LEU CB . 34704 1 99 . 1 . 1 9 9 LEU CG C 13 26.358 0.3 . 1 . . . . A 36 LEU CG . 34704 1 100 . 1 . 1 9 9 LEU CD1 C 13 23.358 0.3 . 1 . . . . A 36 LEU CD1 . 34704 1 101 . 1 . 1 9 9 LEU CD2 C 13 23.563 0.3 . 1 . . . . A 36 LEU CD2 . 34704 1 102 . 1 . 1 9 9 LEU N N 15 124.609 0.3 . 1 . . . . A 36 LEU N . 34704 1 103 . 1 . 1 10 10 VAL H H 1 7.907 0.020 . 1 . . . . A 37 VAL H . 34704 1 104 . 1 . 1 10 10 VAL HA H 1 3.006 0.020 . 1 . . . . A 37 VAL HA . 34704 1 105 . 1 . 1 10 10 VAL HB H 1 1.855 0.020 . 1 . . . . A 37 VAL HB . 34704 1 106 . 1 . 1 10 10 VAL HG11 H 1 0.735 0.020 . 2 . . . . A 37 VAL HG11 . 34704 1 107 . 1 . 1 10 10 VAL HG12 H 1 0.735 0.020 . 2 . . . . A 37 VAL HG12 . 34704 1 108 . 1 . 1 10 10 VAL HG13 H 1 0.735 0.020 . 2 . . . . A 37 VAL HG13 . 34704 1 109 . 1 . 1 10 10 VAL HG21 H 1 0.672 0.020 . 2 . . . . A 37 VAL HG21 . 34704 1 110 . 1 . 1 10 10 VAL HG22 H 1 0.672 0.020 . 2 . . . . A 37 VAL HG22 . 34704 1 111 . 1 . 1 10 10 VAL HG23 H 1 0.672 0.020 . 2 . . . . A 37 VAL HG23 . 34704 1 112 . 1 . 1 10 10 VAL CA C 13 67.318 0.3 . 1 . . . . A 37 VAL CA . 34704 1 113 . 1 . 1 10 10 VAL CB C 13 31.421 0.3 . 1 . . . . A 37 VAL CB . 34704 1 114 . 1 . 1 10 10 VAL CG1 C 13 21.538 0.3 . 1 . . . . A 37 VAL CG1 . 34704 1 115 . 1 . 1 10 10 VAL CG2 C 13 23.057 0.3 . 1 . . . . A 37 VAL CG2 . 34704 1 116 . 1 . 1 10 10 VAL N N 15 118.023 0.3 . 1 . . . . A 37 VAL N . 34704 1 117 . 1 . 1 11 11 ASN H H 1 8.210 0.020 . 1 . . . . A 38 ASN H . 34704 1 118 . 1 . 1 11 11 ASN HA H 1 4.338 0.020 . 1 . . . . A 38 ASN HA . 34704 1 119 . 1 . 1 11 11 ASN HB2 H 1 2.846 0.020 . 2 . . . . A 38 ASN HB2 . 34704 1 120 . 1 . 1 11 11 ASN HB3 H 1 2.758 0.020 . 2 . . . . A 38 ASN HB3 . 34704 1 121 . 1 . 1 11 11 ASN HD21 H 1 7.609 0.020 . 1 . . . . A 38 ASN HD21 . 34704 1 122 . 1 . 1 11 11 ASN HD22 H 1 6.986 0.020 . 1 . . . . A 38 ASN HD22 . 34704 1 123 . 1 . 1 11 11 ASN CA C 13 56.212 0.3 . 1 . . . . A 38 ASN CA . 34704 1 124 . 1 . 1 11 11 ASN CB C 13 37.790 0.3 . 1 . . . . A 38 ASN CB . 34704 1 125 . 1 . 1 11 11 ASN N N 15 116.414 0.3 . 1 . . . . A 38 ASN N . 34704 1 126 . 1 . 1 11 11 ASN ND2 N 15 112.918 0.3 . 1 . . . . A 38 ASN ND2 . 34704 1 127 . 1 . 1 12 12 SER H H 1 8.254 0.020 . 1 . . . . A 39 SER H . 34704 1 128 . 1 . 1 12 12 SER HA H 1 4.126 0.020 . 1 . . . . A 39 SER HA . 34704 1 129 . 1 . 1 12 12 SER HB2 H 1 3.828 0.020 . 2 . . . . A 39 SER HB2 . 34704 1 130 . 1 . 1 12 12 SER HB3 H 1 3.801 0.020 . 2 . . . . A 39 SER HB3 . 34704 1 131 . 1 . 1 12 12 SER CA C 13 62.576 0.3 . 1 . . . . A 39 SER CA . 34704 1 132 . 1 . 1 12 12 SER CB C 13 62.369 0.3 . 1 . . . . A 39 SER CB . 34704 1 133 . 1 . 1 12 12 SER N N 15 119.673 0.3 . 1 . . . . A 39 SER N . 34704 1 134 . 1 . 1 13 13 ILE H H 1 7.629 0.020 . 1 . . . . A 40 ILE H . 34704 1 135 . 1 . 1 13 13 ILE HA H 1 3.168 0.020 . 1 . . . . A 40 ILE HA . 34704 1 136 . 1 . 1 13 13 ILE HB H 1 1.432 0.020 . 1 . . . . A 40 ILE HB . 34704 1 137 . 1 . 1 13 13 ILE HG12 H 1 1.054 0.020 . 2 . . . . A 40 ILE HG12 . 34704 1 138 . 1 . 1 13 13 ILE HG13 H 1 0.052 0.020 . 2 . . . . A 40 ILE HG13 . 34704 1 139 . 1 . 1 13 13 ILE HG21 H 1 0.174 0.020 . 1 . . . . A 40 ILE HG21 . 34704 1 140 . 1 . 1 13 13 ILE HG22 H 1 0.174 0.020 . 1 . . . . A 40 ILE HG22 . 34704 1 141 . 1 . 1 13 13 ILE HG23 H 1 0.174 0.020 . 1 . . . . A 40 ILE HG23 . 34704 1 142 . 1 . 1 13 13 ILE HD11 H 1 -0.004 0.020 . 1 . . . . A 40 ILE HD11 . 34704 1 143 . 1 . 1 13 13 ILE HD12 H 1 -0.004 0.020 . 1 . . . . A 40 ILE HD12 . 34704 1 144 . 1 . 1 13 13 ILE HD13 H 1 -0.004 0.020 . 1 . . . . A 40 ILE HD13 . 34704 1 145 . 1 . 1 13 13 ILE CA C 13 65.817 0.3 . 1 . . . . A 40 ILE CA . 34704 1 146 . 1 . 1 13 13 ILE CB C 13 37.963 0.3 . 1 . . . . A 40 ILE CB . 34704 1 147 . 1 . 1 13 13 ILE CG1 C 13 28.867 0.3 . 1 . . . . A 40 ILE CG1 . 34704 1 148 . 1 . 1 13 13 ILE CG2 C 13 16.739 0.3 . 1 . . . . A 40 ILE CG2 . 34704 1 149 . 1 . 1 13 13 ILE CD1 C 13 13.209 0.3 . 1 . . . . A 40 ILE CD1 . 34704 1 150 . 1 . 1 13 13 ILE N N 15 123.116 0.3 . 1 . . . . A 40 ILE N . 34704 1 151 . 1 . 1 14 14 LYS H H 1 8.150 0.020 . 1 . . . . A 41 LYS H . 34704 1 152 . 1 . 1 14 14 LYS HA H 1 3.637 0.020 . 1 . . . . A 41 LYS HA . 34704 1 153 . 1 . 1 14 14 LYS HB2 H 1 1.825 0.020 . 2 . . . . A 41 LYS HB2 . 34704 1 154 . 1 . 1 14 14 LYS HB3 H 1 1.810 0.020 . 2 . . . . A 41 LYS HB3 . 34704 1 155 . 1 . 1 14 14 LYS HG2 H 1 1.556 0.020 . 2 . . . . A 41 LYS HG2 . 34704 1 156 . 1 . 1 14 14 LYS HG3 H 1 1.198 0.020 . 2 . . . . A 41 LYS HG3 . 34704 1 157 . 1 . 1 14 14 LYS HD2 H 1 1.610 0.020 . 2 . . . . A 41 LYS HD2 . 34704 1 158 . 1 . 1 14 14 LYS HD3 H 1 1.600 0.020 . 2 . . . . A 41 LYS HD3 . 34704 1 159 . 1 . 1 14 14 LYS HE2 H 1 2.885 0.020 . 2 . . . . A 41 LYS HE2 . 34704 1 160 . 1 . 1 14 14 LYS HE3 H 1 2.786 0.020 . 2 . . . . A 41 LYS HE3 . 34704 1 161 . 1 . 1 14 14 LYS CA C 13 60.981 0.3 . 1 . . . . A 41 LYS CA . 34704 1 162 . 1 . 1 14 14 LYS CB C 13 32.612 0.3 . 1 . . . . A 41 LYS CB . 34704 1 163 . 1 . 1 14 14 LYS CG C 13 25.656 0.3 . 1 . . . . A 41 LYS CG . 34704 1 164 . 1 . 1 14 14 LYS CD C 13 29.777 0.3 . 1 . . . . A 41 LYS CD . 34704 1 165 . 1 . 1 14 14 LYS CE C 13 41.567 0.3 . 1 . . . . A 41 LYS CE . 34704 1 166 . 1 . 1 14 14 LYS N N 15 117.671 0.3 . 1 . . . . A 41 LYS N . 34704 1 167 . 1 . 1 15 15 THR H H 1 8.482 0.020 . 1 . . . . A 42 THR H . 34704 1 168 . 1 . 1 15 15 THR HA H 1 3.921 0.020 . 1 . . . . A 42 THR HA . 34704 1 169 . 1 . 1 15 15 THR HB H 1 4.235 0.020 . 1 . . . . A 42 THR HB . 34704 1 170 . 1 . 1 15 15 THR HG21 H 1 1.326 0.020 . 1 . . . . A 42 THR HG21 . 34704 1 171 . 1 . 1 15 15 THR HG22 H 1 1.326 0.020 . 1 . . . . A 42 THR HG22 . 34704 1 172 . 1 . 1 15 15 THR HG23 H 1 1.326 0.020 . 1 . . . . A 42 THR HG23 . 34704 1 173 . 1 . 1 15 15 THR CA C 13 66.379 0.3 . 1 . . . . A 42 THR CA . 34704 1 174 . 1 . 1 15 15 THR CB C 13 68.715 0.3 . 1 . . . . A 42 THR CB . 34704 1 175 . 1 . 1 15 15 THR CG2 C 13 21.550 0.3 . 1 . . . . A 42 THR CG2 . 34704 1 176 . 1 . 1 15 15 THR N N 15 115.253 0.3 . 1 . . . . A 42 THR N . 34704 1 177 . 1 . 1 16 16 ALA H H 1 7.748 0.020 . 1 . . . . A 43 ALA H . 34704 1 178 . 1 . 1 16 16 ALA HA H 1 3.575 0.020 . 1 . . . . A 43 ALA HA . 34704 1 179 . 1 . 1 16 16 ALA HB1 H 1 0.106 0.020 . 1 . . . . A 43 ALA HB1 . 34704 1 180 . 1 . 1 16 16 ALA HB2 H 1 0.106 0.020 . 1 . . . . A 43 ALA HB2 . 34704 1 181 . 1 . 1 16 16 ALA HB3 H 1 0.106 0.020 . 1 . . . . A 43 ALA HB3 . 34704 1 182 . 1 . 1 16 16 ALA CA C 13 55.339 0.3 . 1 . . . . A 43 ALA CA . 34704 1 183 . 1 . 1 16 16 ALA CB C 13 16.651 0.3 . 1 . . . . A 43 ALA CB . 34704 1 184 . 1 . 1 16 16 ALA N N 15 125.820 0.3 . 1 . . . . A 43 ALA N . 34704 1 185 . 1 . 1 17 17 ILE H H 1 8.113 0.020 . 1 . . . . A 44 ILE H . 34704 1 186 . 1 . 1 17 17 ILE HA H 1 3.473 0.020 . 1 . . . . A 44 ILE HA . 34704 1 187 . 1 . 1 17 17 ILE HB H 1 1.930 0.020 . 1 . . . . A 44 ILE HB . 34704 1 188 . 1 . 1 17 17 ILE HG12 H 1 1.519 0.020 . 2 . . . . A 44 ILE HG12 . 34704 1 189 . 1 . 1 17 17 ILE HG13 H 1 1.101 0.020 . 2 . . . . A 44 ILE HG13 . 34704 1 190 . 1 . 1 17 17 ILE HG21 H 1 0.851 0.020 . 1 . . . . A 44 ILE HG21 . 34704 1 191 . 1 . 1 17 17 ILE HG22 H 1 0.851 0.020 . 1 . . . . A 44 ILE HG22 . 34704 1 192 . 1 . 1 17 17 ILE HG23 H 1 0.851 0.020 . 1 . . . . A 44 ILE HG23 . 34704 1 193 . 1 . 1 17 17 ILE HD11 H 1 0.690 0.020 . 1 . . . . A 44 ILE HD11 . 34704 1 194 . 1 . 1 17 17 ILE HD12 H 1 0.690 0.020 . 1 . . . . A 44 ILE HD12 . 34704 1 195 . 1 . 1 17 17 ILE HD13 H 1 0.690 0.020 . 1 . . . . A 44 ILE HD13 . 34704 1 196 . 1 . 1 17 17 ILE CA C 13 64.975 0.3 . 1 . . . . A 44 ILE CA . 34704 1 197 . 1 . 1 17 17 ILE CB C 13 36.806 0.3 . 1 . . . . A 44 ILE CB . 34704 1 198 . 1 . 1 17 17 ILE CG1 C 13 28.447 0.3 . 1 . . . . A 44 ILE CG1 . 34704 1 199 . 1 . 1 17 17 ILE CG2 C 13 17.631 0.3 . 1 . . . . A 44 ILE CG2 . 34704 1 200 . 1 . 1 17 17 ILE CD1 C 13 12.611 0.3 . 1 . . . . A 44 ILE CD1 . 34704 1 201 . 1 . 1 17 17 ILE N N 15 120.460 0.3 . 1 . . . . A 44 ILE N . 34704 1 202 . 1 . 1 18 18 GLN H H 1 8.026 0.020 . 1 . . . . A 45 GLN H . 34704 1 203 . 1 . 1 18 18 GLN HA H 1 4.068 0.020 . 1 . . . . A 45 GLN HA . 34704 1 204 . 1 . 1 18 18 GLN HB2 H 1 2.249 0.020 . 2 . . . . A 45 GLN HB2 . 34704 1 205 . 1 . 1 18 18 GLN HB3 H 1 2.183 0.020 . 2 . . . . A 45 GLN HB3 . 34704 1 206 . 1 . 1 18 18 GLN HG2 H 1 2.528 0.020 . 2 . . . . A 45 GLN HG2 . 34704 1 207 . 1 . 1 18 18 GLN HG3 H 1 2.485 0.020 . 2 . . . . A 45 GLN HG3 . 34704 1 208 . 1 . 1 18 18 GLN HE21 H 1 7.410 0.020 . 1 . . . . A 45 GLN HE21 . 34704 1 209 . 1 . 1 18 18 GLN HE22 H 1 6.980 0.020 . 1 . . . . A 45 GLN HE22 . 34704 1 210 . 1 . 1 18 18 GLN CA C 13 59.312 0.3 . 1 . . . . A 45 GLN CA . 34704 1 211 . 1 . 1 18 18 GLN CB C 13 28.184 0.3 . 1 . . . . A 45 GLN CB . 34704 1 212 . 1 . 1 18 18 GLN CG C 13 33.499 0.3 . 1 . . . . A 45 GLN CG . 34704 1 213 . 1 . 1 18 18 GLN N N 15 119.616 0.3 . 1 . . . . A 45 GLN N . 34704 1 214 . 1 . 1 18 18 GLN NE2 N 15 111.555 0.3 . 1 . . . . A 45 GLN NE2 . 34704 1 215 . 1 . 1 19 19 TYR H H 1 8.651 0.020 . 1 . . . . A 46 TYR H . 34704 1 216 . 1 . 1 19 19 TYR HA H 1 4.148 0.020 . 1 . . . . A 46 TYR HA . 34704 1 217 . 1 . 1 19 19 TYR HB2 H 1 3.410 0.020 . 2 . . . . A 46 TYR HB2 . 34704 1 218 . 1 . 1 19 19 TYR HB3 H 1 3.354 0.020 . 2 . . . . A 46 TYR HB3 . 34704 1 219 . 1 . 1 19 19 TYR HD1 H 1 7.150 0.020 . 1 . . . . A 46 TYR HD1 . 34704 1 220 . 1 . 1 19 19 TYR HD2 H 1 7.150 0.020 . 1 . . . . A 46 TYR HD2 . 34704 1 221 . 1 . 1 19 19 TYR HE1 H 1 6.493 0.020 . 1 . . . . A 46 TYR HE1 . 34704 1 222 . 1 . 1 19 19 TYR HE2 H 1 6.493 0.020 . 1 . . . . A 46 TYR HE2 . 34704 1 223 . 1 . 1 19 19 TYR CA C 13 61.455 0.3 . 1 . . . . A 46 TYR CA . 34704 1 224 . 1 . 1 19 19 TYR CB C 13 38.873 0.3 . 1 . . . . A 46 TYR CB . 34704 1 225 . 1 . 1 19 19 TYR CD1 C 13 133.062 0.3 . 1 . . . . A 46 TYR CD1 . 34704 1 226 . 1 . 1 19 19 TYR CD2 C 13 133.062 0.3 . 1 . . . . A 46 TYR CD2 . 34704 1 227 . 1 . 1 19 19 TYR CE1 C 13 117.711 0.3 . 1 . . . . A 46 TYR CE1 . 34704 1 228 . 1 . 1 19 19 TYR CE2 C 13 117.711 0.3 . 1 . . . . A 46 TYR CE2 . 34704 1 229 . 1 . 1 19 19 TYR N N 15 119.931 0.3 . 1 . . . . A 46 TYR N . 34704 1 230 . 1 . 1 20 20 SER H H 1 8.367 0.020 . 1 . . . . A 47 SER H . 34704 1 231 . 1 . 1 20 20 SER HA H 1 4.091 0.020 . 1 . . . . A 47 SER HA . 34704 1 232 . 1 . 1 20 20 SER HB2 H 1 4.237 0.020 . 2 . . . . A 47 SER HB2 . 34704 1 233 . 1 . 1 20 20 SER HB3 H 1 3.806 0.020 . 2 . . . . A 47 SER HB3 . 34704 1 234 . 1 . 1 20 20 SER CA C 13 63.173 0.3 . 1 . . . . A 47 SER CA . 34704 1 235 . 1 . 1 20 20 SER CB C 13 62.330 0.3 . 1 . . . . A 47 SER CB . 34704 1 236 . 1 . 1 20 20 SER N N 15 116.331 0.3 . 1 . . . . A 47 SER N . 34704 1 237 . 1 . 1 21 21 LYS H H 1 8.185 0.020 . 1 . . . . A 48 LYS H . 34704 1 238 . 1 . 1 21 21 LYS HA H 1 3.819 0.020 . 1 . . . . A 48 LYS HA . 34704 1 239 . 1 . 1 21 21 LYS HB2 H 1 1.926 0.020 . 2 . . . . A 48 LYS HB2 . 34704 1 240 . 1 . 1 21 21 LYS HB3 H 1 1.860 0.020 . 2 . . . . A 48 LYS HB3 . 34704 1 241 . 1 . 1 21 21 LYS HG2 H 1 1.617 0.020 . 2 . . . . A 48 LYS HG2 . 34704 1 242 . 1 . 1 21 21 LYS HG3 H 1 1.456 0.020 . 2 . . . . A 48 LYS HG3 . 34704 1 243 . 1 . 1 21 21 LYS HD2 H 1 1.789 0.020 . 2 . . . . A 48 LYS HD2 . 34704 1 244 . 1 . 1 21 21 LYS HD3 H 1 1.680 0.020 . 2 . . . . A 48 LYS HD3 . 34704 1 245 . 1 . 1 21 21 LYS HE2 H 1 3.011 0.020 . 2 . . . . A 48 LYS HE2 . 34704 1 246 . 1 . 1 21 21 LYS HE3 H 1 2.860 0.020 . 2 . . . . A 48 LYS HE3 . 34704 1 247 . 1 . 1 21 21 LYS CA C 13 59.624 0.3 . 1 . . . . A 48 LYS CA . 34704 1 248 . 1 . 1 21 21 LYS CB C 13 32.289 0.3 . 1 . . . . A 48 LYS CB . 34704 1 249 . 1 . 1 21 21 LYS CG C 13 25.087 0.3 . 1 . . . . A 48 LYS CG . 34704 1 250 . 1 . 1 21 21 LYS CD C 13 29.648 0.3 . 1 . . . . A 48 LYS CD . 34704 1 251 . 1 . 1 21 21 LYS CE C 13 42.012 0.3 . 1 . . . . A 48 LYS CE . 34704 1 252 . 1 . 1 21 21 LYS N N 15 121.976 0.3 . 1 . . . . A 48 LYS N . 34704 1 253 . 1 . 1 22 22 ILE H H 1 7.460 0.020 . 1 . . . . A 49 ILE H . 34704 1 254 . 1 . 1 22 22 ILE HA H 1 3.602 0.020 . 1 . . . . A 49 ILE HA . 34704 1 255 . 1 . 1 22 22 ILE HB H 1 1.898 0.020 . 1 . . . . A 49 ILE HB . 34704 1 256 . 1 . 1 22 22 ILE HG12 H 1 1.625 0.020 . 2 . . . . A 49 ILE HG12 . 34704 1 257 . 1 . 1 22 22 ILE HG13 H 1 1.248 0.020 . 2 . . . . A 49 ILE HG13 . 34704 1 258 . 1 . 1 22 22 ILE HG21 H 1 0.745 0.020 . 1 . . . . A 49 ILE HG21 . 34704 1 259 . 1 . 1 22 22 ILE HG22 H 1 0.745 0.020 . 1 . . . . A 49 ILE HG22 . 34704 1 260 . 1 . 1 22 22 ILE HG23 H 1 0.745 0.020 . 1 . . . . A 49 ILE HG23 . 34704 1 261 . 1 . 1 22 22 ILE HD11 H 1 0.835 0.020 . 1 . . . . A 49 ILE HD11 . 34704 1 262 . 1 . 1 22 22 ILE HD12 H 1 0.835 0.020 . 1 . . . . A 49 ILE HD12 . 34704 1 263 . 1 . 1 22 22 ILE HD13 H 1 0.835 0.020 . 1 . . . . A 49 ILE HD13 . 34704 1 264 . 1 . 1 22 22 ILE CA C 13 64.214 0.3 . 1 . . . . A 49 ILE CA . 34704 1 265 . 1 . 1 22 22 ILE CB C 13 37.114 0.3 . 1 . . . . A 49 ILE CB . 34704 1 266 . 1 . 1 22 22 ILE CG1 C 13 28.731 0.3 . 1 . . . . A 49 ILE CG1 . 34704 1 267 . 1 . 1 22 22 ILE CG2 C 13 17.327 0.3 . 1 . . . . A 49 ILE CG2 . 34704 1 268 . 1 . 1 22 22 ILE CD1 C 13 12.295 0.3 . 1 . . . . A 49 ILE CD1 . 34704 1 269 . 1 . 1 22 22 ILE N N 15 118.123 0.3 . 1 . . . . A 49 ILE N . 34704 1 270 . 1 . 1 23 23 GLN H H 1 7.954 0.020 . 1 . . . . A 50 GLN H . 34704 1 271 . 1 . 1 23 23 GLN HA H 1 3.896 0.020 . 1 . . . . A 50 GLN HA . 34704 1 272 . 1 . 1 23 23 GLN HB2 H 1 1.996 0.020 . 2 . . . . A 50 GLN HB2 . 34704 1 273 . 1 . 1 23 23 GLN HB3 H 1 1.929 0.020 . 2 . . . . A 50 GLN HB3 . 34704 1 274 . 1 . 1 23 23 GLN HG2 H 1 1.971 0.020 . 2 . . . . A 50 GLN HG2 . 34704 1 275 . 1 . 1 23 23 GLN HG3 H 1 1.859 0.020 . 2 . . . . A 50 GLN HG3 . 34704 1 276 . 1 . 1 23 23 GLN HE21 H 1 6.722 0.020 . 1 . . . . A 50 GLN HE21 . 34704 1 277 . 1 . 1 23 23 GLN HE22 H 1 6.007 0.020 . 1 . . . . A 50 GLN HE22 . 34704 1 278 . 1 . 1 23 23 GLN CA C 13 57.754 0.3 . 1 . . . . A 50 GLN CA . 34704 1 279 . 1 . 1 23 23 GLN CB C 13 27.044 0.3 . 1 . . . . A 50 GLN CB . 34704 1 280 . 1 . 1 23 23 GLN CG C 13 33.360 0.3 . 1 . . . . A 50 GLN CG . 34704 1 281 . 1 . 1 23 23 GLN N N 15 118.239 0.3 . 1 . . . . A 50 GLN N . 34704 1 282 . 1 . 1 23 23 GLN NE2 N 15 112.244 0.3 . 1 . . . . A 50 GLN NE2 . 34704 1 283 . 1 . 1 24 24 ALA H H 1 8.192 0.020 . 1 . . . . A 51 ALA H . 34704 1 284 . 1 . 1 24 24 ALA HA H 1 3.928 0.020 . 1 . . . . A 51 ALA HA . 34704 1 285 . 1 . 1 24 24 ALA HB1 H 1 1.293 0.020 . 1 . . . . A 51 ALA HB1 . 34704 1 286 . 1 . 1 24 24 ALA HB2 H 1 1.293 0.020 . 1 . . . . A 51 ALA HB2 . 34704 1 287 . 1 . 1 24 24 ALA HB3 H 1 1.293 0.020 . 1 . . . . A 51 ALA HB3 . 34704 1 288 . 1 . 1 24 24 ALA CA C 13 55.581 0.3 . 1 . . . . A 51 ALA CA . 34704 1 289 . 1 . 1 24 24 ALA CB C 13 17.912 0.3 . 1 . . . . A 51 ALA CB . 34704 1 290 . 1 . 1 24 24 ALA N N 15 122.270 0.3 . 1 . . . . A 51 ALA N . 34704 1 291 . 1 . 1 25 25 ILE H H 1 7.626 0.020 . 1 . . . . A 52 ILE H . 34704 1 292 . 1 . 1 25 25 ILE HA H 1 3.660 0.020 . 1 . . . . A 52 ILE HA . 34704 1 293 . 1 . 1 25 25 ILE HB H 1 1.833 0.020 . 1 . . . . A 52 ILE HB . 34704 1 294 . 1 . 1 25 25 ILE HG12 H 1 1.764 0.020 . 2 . . . . A 52 ILE HG12 . 34704 1 295 . 1 . 1 25 25 ILE HG13 H 1 1.058 0.020 . 2 . . . . A 52 ILE HG13 . 34704 1 296 . 1 . 1 25 25 ILE HG21 H 1 0.885 0.020 . 1 . . . . A 52 ILE HG21 . 34704 1 297 . 1 . 1 25 25 ILE HG22 H 1 0.885 0.020 . 1 . . . . A 52 ILE HG22 . 34704 1 298 . 1 . 1 25 25 ILE HG23 H 1 0.885 0.020 . 1 . . . . A 52 ILE HG23 . 34704 1 299 . 1 . 1 25 25 ILE HD11 H 1 0.813 0.020 . 1 . . . . A 52 ILE HD11 . 34704 1 300 . 1 . 1 25 25 ILE HD12 H 1 0.813 0.020 . 1 . . . . A 52 ILE HD12 . 34704 1 301 . 1 . 1 25 25 ILE HD13 H 1 0.813 0.020 . 1 . . . . A 52 ILE HD13 . 34704 1 302 . 1 . 1 25 25 ILE CA C 13 64.982 0.3 . 1 . . . . A 52 ILE CA . 34704 1 303 . 1 . 1 25 25 ILE CB C 13 38.217 0.3 . 1 . . . . A 52 ILE CB . 34704 1 304 . 1 . 1 25 25 ILE CG1 C 13 28.916 0.3 . 1 . . . . A 52 ILE CG1 . 34704 1 305 . 1 . 1 25 25 ILE CG2 C 13 16.861 0.3 . 1 . . . . A 52 ILE CG2 . 34704 1 306 . 1 . 1 25 25 ILE CD1 C 13 13.797 0.3 . 1 . . . . A 52 ILE CD1 . 34704 1 307 . 1 . 1 25 25 ILE N N 15 116.646 0.3 . 1 . . . . A 52 ILE N . 34704 1 308 . 1 . 1 26 26 HIS H H 1 7.935 0.020 . 1 . . . . A 53 HIS H . 34704 1 309 . 1 . 1 26 26 HIS HA H 1 4.321 0.020 . 1 . . . . A 53 HIS HA . 34704 1 310 . 1 . 1 26 26 HIS HB2 H 1 3.142 0.020 . 2 . . . . A 53 HIS HB2 . 34704 1 311 . 1 . 1 26 26 HIS HB3 H 1 3.111 0.020 . 2 . . . . A 53 HIS HB3 . 34704 1 312 . 1 . 1 26 26 HIS HD1 H 1 8.604 0.020 . 1 . . . . A 53 HIS HD1 . 34704 1 313 . 1 . 1 26 26 HIS HD2 H 1 6.858 0.020 . 1 . . . . A 53 HIS HD2 . 34704 1 314 . 1 . 1 26 26 HIS HE1 H 1 7.496 0.020 . 1 . . . . A 53 HIS HE1 . 34704 1 315 . 1 . 1 26 26 HIS CA C 13 59.020 0.3 . 1 . . . . A 53 HIS CA . 34704 1 316 . 1 . 1 26 26 HIS CB C 13 30.326 0.3 . 1 . . . . A 53 HIS CB . 34704 1 317 . 1 . 1 26 26 HIS CD2 C 13 120.077 0.3 . 1 . . . . A 53 HIS CD2 . 34704 1 318 . 1 . 1 26 26 HIS CE1 C 13 138.240 0.3 . 1 . . . . A 53 HIS CE1 . 34704 1 319 . 1 . 1 26 26 HIS N N 15 119.184 0.3 . 1 . . . . A 53 HIS N . 34704 1 320 . 1 . 1 27 27 LEU H H 1 8.598 0.020 . 1 . . . . A 54 LEU H . 34704 1 321 . 1 . 1 27 27 LEU HA H 1 3.949 0.020 . 1 . . . . A 54 LEU HA . 34704 1 322 . 1 . 1 27 27 LEU HB2 H 1 1.362 0.020 . 2 . . . . A 54 LEU HB2 . 34704 1 323 . 1 . 1 27 27 LEU HB3 H 1 1.034 0.020 . 2 . . . . A 54 LEU HB3 . 34704 1 324 . 1 . 1 27 27 LEU HG H 1 1.843 0.020 . 1 . . . . A 54 LEU HG . 34704 1 325 . 1 . 1 27 27 LEU HD11 H 1 0.907 0.020 . 2 . . . . A 54 LEU HD11 . 34704 1 326 . 1 . 1 27 27 LEU HD12 H 1 0.907 0.020 . 2 . . . . A 54 LEU HD12 . 34704 1 327 . 1 . 1 27 27 LEU HD13 H 1 0.907 0.020 . 2 . . . . A 54 LEU HD13 . 34704 1 328 . 1 . 1 27 27 LEU HD21 H 1 0.798 0.020 . 2 . . . . A 54 LEU HD21 . 34704 1 329 . 1 . 1 27 27 LEU HD22 H 1 0.798 0.020 . 2 . . . . A 54 LEU HD22 . 34704 1 330 . 1 . 1 27 27 LEU HD23 H 1 0.798 0.020 . 2 . . . . A 54 LEU HD23 . 34704 1 331 . 1 . 1 27 27 LEU CA C 13 56.310 0.3 . 1 . . . . A 54 LEU CA . 34704 1 332 . 1 . 1 27 27 LEU CB C 13 41.363 0.3 . 1 . . . . A 54 LEU CB . 34704 1 333 . 1 . 1 27 27 LEU CG C 13 26.963 0.3 . 1 . . . . A 54 LEU CG . 34704 1 334 . 1 . 1 27 27 LEU CD1 C 13 22.289 0.3 . 1 . . . . A 54 LEU CD1 . 34704 1 335 . 1 . 1 27 27 LEU CD2 C 13 26.099 0.3 . 1 . . . . A 54 LEU CD2 . 34704 1 336 . 1 . 1 27 27 LEU N N 15 118.537 0.3 . 1 . . . . A 54 LEU N . 34704 1 337 . 1 . 1 28 28 GLY H H 1 8.061 0.020 . 1 . . . . A 55 GLY H . 34704 1 338 . 1 . 1 28 28 GLY HA2 H 1 4.056 0.020 . 2 . . . . A 55 GLY HA2 . 34704 1 339 . 1 . 1 28 28 GLY HA3 H 1 3.797 0.020 . 2 . . . . A 55 GLY HA3 . 34704 1 340 . 1 . 1 28 28 GLY CA C 13 45.590 0.3 . 1 . . . . A 55 GLY CA . 34704 1 341 . 1 . 1 28 28 GLY N N 15 105.149 0.3 . 1 . . . . A 55 GLY N . 34704 1 342 . 1 . 1 29 29 HIS H H 1 7.382 0.020 . 1 . . . . A 56 HIS H . 34704 1 343 . 1 . 1 29 29 HIS HA H 1 4.837 0.020 . 1 . . . . A 56 HIS HA . 34704 1 344 . 1 . 1 29 29 HIS HB2 H 1 3.304 0.020 . 2 . . . . A 56 HIS HB2 . 34704 1 345 . 1 . 1 29 29 HIS HB3 H 1 3.159 0.020 . 2 . . . . A 56 HIS HB3 . 34704 1 346 . 1 . 1 29 29 HIS HD2 H 1 6.745 0.020 . 1 . . . . A 56 HIS HD2 . 34704 1 347 . 1 . 1 29 29 HIS HE1 H 1 7.404 0.020 . 1 . . . . A 56 HIS HE1 . 34704 1 348 . 1 . 1 29 29 HIS CA C 13 53.245 0.3 . 1 . . . . A 56 HIS CA . 34704 1 349 . 1 . 1 29 29 HIS CB C 13 28.293 0.3 . 1 . . . . A 56 HIS CB . 34704 1 350 . 1 . 1 29 29 HIS CD2 C 13 129.334 0.3 . 1 . . . . A 56 HIS CD2 . 34704 1 351 . 1 . 1 29 29 HIS CE1 C 13 137.550 0.3 . 1 . . . . A 56 HIS CE1 . 34704 1 352 . 1 . 1 29 29 HIS N N 15 114.784 0.3 . 1 . . . . A 56 HIS N . 34704 1 353 . 1 . 1 30 30 PRO HA H 1 5.034 0.020 . 1 . . . . A 57 PRO HA . 34704 1 354 . 1 . 1 30 30 PRO HB2 H 1 2.219 0.020 . 2 . . . . A 57 PRO HB2 . 34704 1 355 . 1 . 1 30 30 PRO HB3 H 1 1.766 0.020 . 2 . . . . A 57 PRO HB3 . 34704 1 356 . 1 . 1 30 30 PRO HG2 H 1 2.209 0.020 . 2 . . . . A 57 PRO HG2 . 34704 1 357 . 1 . 1 30 30 PRO HG3 H 1 1.979 0.020 . 2 . . . . A 57 PRO HG3 . 34704 1 358 . 1 . 1 30 30 PRO HD2 H 1 3.948 0.020 . 2 . . . . A 57 PRO HD2 . 34704 1 359 . 1 . 1 30 30 PRO HD3 H 1 3.767 0.020 . 2 . . . . A 57 PRO HD3 . 34704 1 360 . 1 . 1 30 30 PRO CA C 13 62.875 0.3 . 1 . . . . A 57 PRO CA . 34704 1 361 . 1 . 1 30 30 PRO CB C 13 32.461 0.3 . 1 . . . . A 57 PRO CB . 34704 1 362 . 1 . 1 30 30 PRO CG C 13 28.532 0.3 . 1 . . . . A 57 PRO CG . 34704 1 363 . 1 . 1 30 30 PRO CD C 13 51.080 0.3 . 1 . . . . A 57 PRO CD . 34704 1 364 . 1 . 1 31 31 ILE H H 1 8.682 0.020 . 1 . . . . A 58 ILE H . 34704 1 365 . 1 . 1 31 31 ILE HA H 1 4.670 0.020 . 1 . . . . A 58 ILE HA . 34704 1 366 . 1 . 1 31 31 ILE HB H 1 2.210 0.020 . 1 . . . . A 58 ILE HB . 34704 1 367 . 1 . 1 31 31 ILE HG12 H 1 1.274 0.020 . 2 . . . . A 58 ILE HG12 . 34704 1 368 . 1 . 1 31 31 ILE HG13 H 1 1.211 0.020 . 2 . . . . A 58 ILE HG13 . 34704 1 369 . 1 . 1 31 31 ILE HG21 H 1 0.977 0.020 . 1 . . . . A 58 ILE HG21 . 34704 1 370 . 1 . 1 31 31 ILE HG22 H 1 0.977 0.020 . 1 . . . . A 58 ILE HG22 . 34704 1 371 . 1 . 1 31 31 ILE HG23 H 1 0.977 0.020 . 1 . . . . A 58 ILE HG23 . 34704 1 372 . 1 . 1 31 31 ILE HD11 H 1 0.906 0.020 . 1 . . . . A 58 ILE HD11 . 34704 1 373 . 1 . 1 31 31 ILE HD12 H 1 0.906 0.020 . 1 . . . . A 58 ILE HD12 . 34704 1 374 . 1 . 1 31 31 ILE HD13 H 1 0.906 0.020 . 1 . . . . A 58 ILE HD13 . 34704 1 375 . 1 . 1 31 31 ILE CA C 13 60.504 0.3 . 1 . . . . A 58 ILE CA . 34704 1 376 . 1 . 1 31 31 ILE CB C 13 41.128 0.3 . 1 . . . . A 58 ILE CB . 34704 1 377 . 1 . 1 31 31 ILE CG1 C 13 24.283 0.3 . 1 . . . . A 58 ILE CG1 . 34704 1 378 . 1 . 1 31 31 ILE CG2 C 13 20.088 0.3 . 1 . . . . A 58 ILE CG2 . 34704 1 379 . 1 . 1 31 31 ILE CD1 C 13 14.919 0.3 . 1 . . . . A 58 ILE CD1 . 34704 1 380 . 1 . 1 31 31 ILE N N 15 118.736 0.3 . 1 . . . . A 58 ILE N . 34704 1 381 . 1 . 1 32 32 TYR H H 1 8.907 0.020 . 1 . . . . A 59 TYR H . 34704 1 382 . 1 . 1 32 32 TYR HA H 1 5.671 0.020 . 1 . . . . A 59 TYR HA . 34704 1 383 . 1 . 1 32 32 TYR HB2 H 1 2.812 0.020 . 2 . . . . A 59 TYR HB2 . 34704 1 384 . 1 . 1 32 32 TYR HB3 H 1 2.679 0.020 . 2 . . . . A 59 TYR HB3 . 34704 1 385 . 1 . 1 32 32 TYR HD1 H 1 6.885 0.020 . 1 . . . . A 59 TYR HD1 . 34704 1 386 . 1 . 1 32 32 TYR HD2 H 1 6.885 0.020 . 1 . . . . A 59 TYR HD2 . 34704 1 387 . 1 . 1 32 32 TYR HE1 H 1 6.792 0.020 . 1 . . . . A 59 TYR HE1 . 34704 1 388 . 1 . 1 32 32 TYR HE2 H 1 6.792 0.020 . 1 . . . . A 59 TYR HE2 . 34704 1 389 . 1 . 1 32 32 TYR CA C 13 56.569 0.3 . 1 . . . . A 59 TYR CA . 34704 1 390 . 1 . 1 32 32 TYR CB C 13 41.833 0.3 . 1 . . . . A 59 TYR CB . 34704 1 391 . 1 . 1 32 32 TYR CD1 C 13 132.730 0.3 . 1 . . . . A 59 TYR CD1 . 34704 1 392 . 1 . 1 32 32 TYR CD2 C 13 132.730 0.3 . 1 . . . . A 59 TYR CD2 . 34704 1 393 . 1 . 1 32 32 TYR CE1 C 13 118.112 0.3 . 1 . . . . A 59 TYR CE1 . 34704 1 394 . 1 . 1 32 32 TYR CE2 C 13 118.112 0.3 . 1 . . . . A 59 TYR CE2 . 34704 1 395 . 1 . 1 32 32 TYR N N 15 116.397 0.3 . 1 . . . . A 59 TYR N . 34704 1 396 . 1 . 1 33 33 LEU H H 1 9.398 0.020 . 1 . . . . A 60 LEU H . 34704 1 397 . 1 . 1 33 33 LEU HA H 1 5.858 0.020 . 1 . . . . A 60 LEU HA . 34704 1 398 . 1 . 1 33 33 LEU HB2 H 1 1.868 0.020 . 2 . . . . A 60 LEU HB2 . 34704 1 399 . 1 . 1 33 33 LEU HB3 H 1 1.704 0.020 . 2 . . . . A 60 LEU HB3 . 34704 1 400 . 1 . 1 33 33 LEU HG H 1 1.697 0.020 . 1 . . . . A 60 LEU HG . 34704 1 401 . 1 . 1 33 33 LEU HD11 H 1 1.183 0.020 . 2 . . . . A 60 LEU HD11 . 34704 1 402 . 1 . 1 33 33 LEU HD12 H 1 1.183 0.020 . 2 . . . . A 60 LEU HD12 . 34704 1 403 . 1 . 1 33 33 LEU HD13 H 1 1.183 0.020 . 2 . . . . A 60 LEU HD13 . 34704 1 404 . 1 . 1 33 33 LEU HD21 H 1 0.859 0.020 . 2 . . . . A 60 LEU HD21 . 34704 1 405 . 1 . 1 33 33 LEU HD22 H 1 0.859 0.020 . 2 . . . . A 60 LEU HD22 . 34704 1 406 . 1 . 1 33 33 LEU HD23 H 1 0.859 0.020 . 2 . . . . A 60 LEU HD23 . 34704 1 407 . 1 . 1 33 33 LEU CA C 13 53.513 0.3 . 1 . . . . A 60 LEU CA . 34704 1 408 . 1 . 1 33 33 LEU CB C 13 44.775 0.3 . 1 . . . . A 60 LEU CB . 34704 1 409 . 1 . 1 33 33 LEU CG C 13 27.029 0.3 . 1 . . . . A 60 LEU CG . 34704 1 410 . 1 . 1 33 33 LEU CD1 C 13 24.522 0.3 . 1 . . . . A 60 LEU CD1 . 34704 1 411 . 1 . 1 33 33 LEU CD2 C 13 25.632 0.3 . 1 . . . . A 60 LEU CD2 . 34704 1 412 . 1 . 1 33 33 LEU N N 15 122.751 0.3 . 1 . . . . A 60 LEU N . 34704 1 413 . 1 . 1 34 34 LEU H H 1 9.264 0.020 . 1 . . . . A 61 LEU H . 34704 1 414 . 1 . 1 34 34 LEU HA H 1 4.868 0.020 . 1 . . . . A 61 LEU HA . 34704 1 415 . 1 . 1 34 34 LEU HB2 H 1 1.551 0.020 . 2 . . . . A 61 LEU HB2 . 34704 1 416 . 1 . 1 34 34 LEU HB3 H 1 1.422 0.020 . 2 . . . . A 61 LEU HB3 . 34704 1 417 . 1 . 1 34 34 LEU HG H 1 1.643 0.020 . 1 . . . . A 61 LEU HG . 34704 1 418 . 1 . 1 34 34 LEU HD11 H 1 1.005 0.020 . 2 . . . . A 61 LEU HD11 . 34704 1 419 . 1 . 1 34 34 LEU HD12 H 1 1.005 0.020 . 2 . . . . A 61 LEU HD12 . 34704 1 420 . 1 . 1 34 34 LEU HD13 H 1 1.005 0.020 . 2 . . . . A 61 LEU HD13 . 34704 1 421 . 1 . 1 34 34 LEU HD21 H 1 0.801 0.020 . 2 . . . . A 61 LEU HD21 . 34704 1 422 . 1 . 1 34 34 LEU HD22 H 1 0.801 0.020 . 2 . . . . A 61 LEU HD22 . 34704 1 423 . 1 . 1 34 34 LEU HD23 H 1 0.801 0.020 . 2 . . . . A 61 LEU HD23 . 34704 1 424 . 1 . 1 34 34 LEU CA C 13 51.780 0.3 . 1 . . . . A 61 LEU CA . 34704 1 425 . 1 . 1 34 34 LEU CB C 13 43.636 0.3 . 1 . . . . A 61 LEU CB . 34704 1 426 . 1 . 1 34 34 LEU CG C 13 27.034 0.3 . 1 . . . . A 61 LEU CG . 34704 1 427 . 1 . 1 34 34 LEU CD1 C 13 24.342 0.3 . 1 . . . . A 61 LEU CD1 . 34704 1 428 . 1 . 1 34 34 LEU CD2 C 13 25.809 0.3 . 1 . . . . A 61 LEU CD2 . 34704 1 429 . 1 . 1 34 34 LEU N N 15 122.602 0.3 . 1 . . . . A 61 LEU N . 34704 1 430 . 1 . 1 35 35 PRO HA H 1 3.804 0.020 . 1 . . . . A 62 PRO HA . 34704 1 431 . 1 . 1 35 35 PRO HB2 H 1 1.376 0.020 . 2 . . . . A 62 PRO HB2 . 34704 1 432 . 1 . 1 35 35 PRO HB3 H 1 0.712 0.020 . 2 . . . . A 62 PRO HB3 . 34704 1 433 . 1 . 1 35 35 PRO HG2 H 1 1.446 0.020 . 2 . . . . A 62 PRO HG2 . 34704 1 434 . 1 . 1 35 35 PRO HG3 H 1 0.392 0.020 . 2 . . . . A 62 PRO HG3 . 34704 1 435 . 1 . 1 35 35 PRO HD2 H 1 3.230 0.020 . 2 . . . . A 62 PRO HD2 . 34704 1 436 . 1 . 1 35 35 PRO HD3 H 1 2.950 0.020 . 2 . . . . A 62 PRO HD3 . 34704 1 437 . 1 . 1 35 35 PRO CA C 13 61.734 0.3 . 1 . . . . A 62 PRO CA . 34704 1 438 . 1 . 1 35 35 PRO CB C 13 30.637 0.3 . 1 . . . . A 62 PRO CB . 34704 1 439 . 1 . 1 35 35 PRO CG C 13 26.122 0.3 . 1 . . . . A 62 PRO CG . 34704 1 440 . 1 . 1 35 35 PRO CD C 13 48.999 0.3 . 1 . . . . A 62 PRO CD . 34704 1 441 . 1 . 1 36 36 PHE H H 1 7.273 0.020 . 1 . . . . A 63 PHE H . 34704 1 442 . 1 . 1 36 36 PHE HA H 1 4.179 0.020 . 1 . . . . A 63 PHE HA . 34704 1 443 . 1 . 1 36 36 PHE HB2 H 1 2.433 0.020 . 2 . . . . A 63 PHE HB2 . 34704 1 444 . 1 . 1 36 36 PHE HB3 H 1 2.352 0.020 . 2 . . . . A 63 PHE HB3 . 34704 1 445 . 1 . 1 36 36 PHE HD1 H 1 6.765 0.020 . 1 . . . . A 63 PHE HD1 . 34704 1 446 . 1 . 1 36 36 PHE HD2 H 1 6.765 0.020 . 1 . . . . A 63 PHE HD2 . 34704 1 447 . 1 . 1 36 36 PHE HE1 H 1 7.143 0.020 . 1 . . . . A 63 PHE HE1 . 34704 1 448 . 1 . 1 36 36 PHE HE2 H 1 7.143 0.020 . 1 . . . . A 63 PHE HE2 . 34704 1 449 . 1 . 1 36 36 PHE HZ H 1 7.106 0.020 . 1 . . . . A 63 PHE HZ . 34704 1 450 . 1 . 1 36 36 PHE CA C 13 57.617 0.3 . 1 . . . . A 63 PHE CA . 34704 1 451 . 1 . 1 36 36 PHE CB C 13 39.576 0.3 . 1 . . . . A 63 PHE CB . 34704 1 452 . 1 . 1 36 36 PHE CD1 C 13 130.850 0.3 . 1 . . . . A 63 PHE CD1 . 34704 1 453 . 1 . 1 36 36 PHE CD2 C 13 130.850 0.3 . 1 . . . . A 63 PHE CD2 . 34704 1 454 . 1 . 1 36 36 PHE CE1 C 13 131.274 0.3 . 1 . . . . A 63 PHE CE1 . 34704 1 455 . 1 . 1 36 36 PHE CE2 C 13 131.274 0.3 . 1 . . . . A 63 PHE CE2 . 34704 1 456 . 1 . 1 36 36 PHE CZ C 13 130.217 0.3 . 1 . . . . A 63 PHE CZ . 34704 1 457 . 1 . 1 36 36 PHE N N 15 119.732 0.3 . 1 . . . . A 63 PHE N . 34704 1 458 . 1 . 1 37 37 GLY H H 1 8.179 0.020 . 1 . . . . A 64 GLY H . 34704 1 459 . 1 . 1 37 37 GLY HA2 H 1 3.591 0.020 . 2 . . . . A 64 GLY HA2 . 34704 1 460 . 1 . 1 37 37 GLY HA3 H 1 3.407 0.020 . 2 . . . . A 64 GLY HA3 . 34704 1 461 . 1 . 1 37 37 GLY CA C 13 45.643 0.3 . 1 . . . . A 64 GLY CA . 34704 1 462 . 1 . 1 37 37 GLY N N 15 114.639 0.3 . 1 . . . . A 64 GLY N . 34704 1 463 . 1 . 1 38 38 SER HA H 1 4.407 0.020 . 1 . . . . A 65 SER HA . 34704 1 464 . 1 . 1 38 38 SER HB2 H 1 4.007 0.020 . 2 . . . . A 65 SER HB2 . 34704 1 465 . 1 . 1 38 38 SER HB3 H 1 3.705 0.020 . 2 . . . . A 65 SER HB3 . 34704 1 466 . 1 . 1 38 38 SER CA C 13 57.143 0.3 . 1 . . . . A 65 SER CA . 34704 1 467 . 1 . 1 38 38 SER CB C 13 63.820 0.3 . 1 . . . . A 65 SER CB . 34704 1 468 . 1 . 1 39 39 ASN HA H 1 4.703 0.020 . 1 . . . . A 66 ASN HA . 34704 1 469 . 1 . 1 39 39 ASN HB2 H 1 2.832 0.020 . 1 . . . . A 66 ASN HB2 . 34704 1 470 . 1 . 1 39 39 ASN HB3 H 1 2.832 0.020 . 1 . . . . A 66 ASN HB3 . 34704 1 471 . 1 . 1 39 39 ASN HD21 H 1 7.586 0.020 . 1 . . . . A 66 ASN HD21 . 34704 1 472 . 1 . 1 39 39 ASN HD22 H 1 6.898 0.020 . 1 . . . . A 66 ASN HD22 . 34704 1 473 . 1 . 1 39 39 ASN CA C 13 53.539 0.3 . 1 . . . . A 66 ASN CA . 34704 1 474 . 1 . 1 39 39 ASN CB C 13 38.518 0.3 . 1 . . . . A 66 ASN CB . 34704 1 475 . 1 . 1 39 39 ASN ND2 N 15 112.760 0.3 . 1 . . . . A 66 ASN ND2 . 34704 1 476 . 1 . 1 40 40 GLU H H 1 8.375 0.020 . 1 . . . . A 67 GLU H . 34704 1 477 . 1 . 1 40 40 GLU HA H 1 4.220 0.020 . 1 . . . . A 67 GLU HA . 34704 1 478 . 1 . 1 40 40 GLU HB2 H 1 2.040 0.020 . 2 . . . . A 67 GLU HB2 . 34704 1 479 . 1 . 1 40 40 GLU HB3 H 1 2.012 0.020 . 2 . . . . A 67 GLU HB3 . 34704 1 480 . 1 . 1 40 40 GLU HG2 H 1 2.148 0.020 . 1 . . . . A 67 GLU HG2 . 34704 1 481 . 1 . 1 40 40 GLU HG3 H 1 2.148 0.020 . 1 . . . . A 67 GLU HG3 . 34704 1 482 . 1 . 1 40 40 GLU CA C 13 56.793 0.3 . 1 . . . . A 67 GLU CA . 34704 1 483 . 1 . 1 40 40 GLU CB C 13 30.786 0.3 . 1 . . . . A 67 GLU CB . 34704 1 484 . 1 . 1 40 40 GLU CG C 13 35.928 0.3 . 1 . . . . A 67 GLU CG . 34704 1 485 . 1 . 1 40 40 GLU N N 15 115.481 0.3 . 1 . . . . A 67 GLU N . 34704 1 486 . 1 . 1 41 41 ASN H H 1 7.932 0.020 . 1 . . . . A 68 ASN H . 34704 1 487 . 1 . 1 41 41 ASN HA H 1 5.281 0.020 . 1 . . . . A 68 ASN HA . 34704 1 488 . 1 . 1 41 41 ASN HB2 H 1 3.191 0.020 . 2 . . . . A 68 ASN HB2 . 34704 1 489 . 1 . 1 41 41 ASN HB3 H 1 3.021 0.020 . 2 . . . . A 68 ASN HB3 . 34704 1 490 . 1 . 1 41 41 ASN HD21 H 1 7.410 0.020 . 1 . . . . A 68 ASN HD21 . 34704 1 491 . 1 . 1 41 41 ASN HD22 H 1 7.980 0.020 . 1 . . . . A 68 ASN HD22 . 34704 1 492 . 1 . 1 41 41 ASN CA C 13 52.997 0.3 . 1 . . . . A 68 ASN CA . 34704 1 493 . 1 . 1 41 41 ASN CB C 13 39.934 0.3 . 1 . . . . A 68 ASN CB . 34704 1 494 . 1 . 1 41 41 ASN N N 15 117.127 0.3 . 1 . . . . A 68 ASN N . 34704 1 495 . 1 . 1 41 41 ASN ND2 N 15 114.363 0.3 . 1 . . . . A 68 ASN ND2 . 34704 1 496 . 1 . 1 42 42 TRP H H 1 8.958 0.020 . 1 . . . . A 69 TRP H . 34704 1 497 . 1 . 1 42 42 TRP HA H 1 4.942 0.020 . 1 . . . . A 69 TRP HA . 34704 1 498 . 1 . 1 42 42 TRP HB2 H 1 4.002 0.020 . 2 . . . . A 69 TRP HB2 . 34704 1 499 . 1 . 1 42 42 TRP HB3 H 1 3.161 0.020 . 2 . . . . A 69 TRP HB3 . 34704 1 500 . 1 . 1 42 42 TRP HD1 H 1 7.938 0.020 . 1 . . . . A 69 TRP HD1 . 34704 1 501 . 1 . 1 42 42 TRP HE3 H 1 7.741 0.020 . 1 . . . . A 69 TRP HE3 . 34704 1 502 . 1 . 1 42 42 TRP HZ2 H 1 6.967 0.020 . 1 . . . . A 69 TRP HZ2 . 34704 1 503 . 1 . 1 42 42 TRP HZ3 H 1 6.891 0.020 . 1 . . . . A 69 TRP HZ3 . 34704 1 504 . 1 . 1 42 42 TRP HH2 H 1 6.765 0.020 . 1 . . . . A 69 TRP HH2 . 34704 1 505 . 1 . 1 42 42 TRP CA C 13 58.326 0.3 . 1 . . . . A 69 TRP CA . 34704 1 506 . 1 . 1 42 42 TRP CB C 13 27.756 0.3 . 1 . . . . A 69 TRP CB . 34704 1 507 . 1 . 1 42 42 TRP CD1 C 13 127.118 0.3 . 1 . . . . A 69 TRP CD1 . 34704 1 508 . 1 . 1 42 42 TRP CE3 C 13 119.124 0.3 . 1 . . . . A 69 TRP CE3 . 34704 1 509 . 1 . 1 42 42 TRP CZ2 C 13 113.834 0.3 . 1 . . . . A 69 TRP CZ2 . 34704 1 510 . 1 . 1 42 42 TRP CZ3 C 13 121.942 0.3 . 1 . . . . A 69 TRP CZ3 . 34704 1 511 . 1 . 1 42 42 TRP CH2 C 13 123.982 0.3 . 1 . . . . A 69 TRP CH2 . 34704 1 512 . 1 . 1 42 42 TRP N N 15 125.621 0.3 . 1 . . . . A 69 TRP N . 34704 1 513 . 1 . 1 42 42 TRP NE1 N 15 127.603 0.3 . 1 . . . . A 69 TRP NE1 . 34704 1 514 . 1 . 1 43 43 SER H H 1 8.754 0.020 . 1 . . . . A 70 SER H . 34704 1 515 . 1 . 1 43 43 SER HA H 1 4.615 0.020 . 1 . . . . A 70 SER HA . 34704 1 516 . 1 . 1 43 43 SER HB2 H 1 4.468 0.020 . 2 . . . . A 70 SER HB2 . 34704 1 517 . 1 . 1 43 43 SER HB3 H 1 4.295 0.020 . 2 . . . . A 70 SER HB3 . 34704 1 518 . 1 . 1 43 43 SER CA C 13 62.285 0.3 . 1 . . . . A 70 SER CA . 34704 1 519 . 1 . 1 43 43 SER CB C 13 63.890 0.3 . 1 . . . . A 70 SER CB . 34704 1 520 . 1 . 1 43 43 SER N N 15 113.627 0.3 . 1 . . . . A 70 SER N . 34704 1 521 . 1 . 1 44 44 ARG H H 1 8.839 0.020 . 1 . . . . A 71 ARG H . 34704 1 522 . 1 . 1 44 44 ARG HA H 1 4.843 0.020 . 1 . . . . A 71 ARG HA . 34704 1 523 . 1 . 1 44 44 ARG HB2 H 1 2.112 0.020 . 2 . . . . A 71 ARG HB2 . 34704 1 524 . 1 . 1 44 44 ARG HB3 H 1 1.869 0.020 . 2 . . . . A 71 ARG HB3 . 34704 1 525 . 1 . 1 44 44 ARG HG2 H 1 1.874 0.020 . 2 . . . . A 71 ARG HG2 . 34704 1 526 . 1 . 1 44 44 ARG HG3 H 1 1.703 0.020 . 2 . . . . A 71 ARG HG3 . 34704 1 527 . 1 . 1 44 44 ARG HD2 H 1 3.322 0.020 . 2 . . . . A 71 ARG HD2 . 34704 1 528 . 1 . 1 44 44 ARG HD3 H 1 3.260 0.020 . 2 . . . . A 71 ARG HD3 . 34704 1 529 . 1 . 1 44 44 ARG CA C 13 55.853 0.3 . 1 . . . . A 71 ARG CA . 34704 1 530 . 1 . 1 44 44 ARG CB C 13 31.091 0.3 . 1 . . . . A 71 ARG CB . 34704 1 531 . 1 . 1 44 44 ARG CG C 13 27.444 0.3 . 1 . . . . A 71 ARG CG . 34704 1 532 . 1 . 1 44 44 ARG CD C 13 43.319 0.3 . 1 . . . . A 71 ARG CD . 34704 1 533 . 1 . 1 44 44 ARG N N 15 116.928 0.3 . 1 . . . . A 71 ARG N . 34704 1 534 . 1 . 1 45 45 GLY H H 1 7.463 0.020 . 1 . . . . A 72 GLY H . 34704 1 535 . 1 . 1 45 45 GLY HA2 H 1 4.436 0.020 . 2 . . . . A 72 GLY HA2 . 34704 1 536 . 1 . 1 45 45 GLY HA3 H 1 1.625 0.020 . 2 . . . . A 72 GLY HA3 . 34704 1 537 . 1 . 1 45 45 GLY CA C 13 43.976 0.3 . 1 . . . . A 72 GLY CA . 34704 1 538 . 1 . 1 45 45 GLY N N 15 107.788 0.3 . 1 . . . . A 72 GLY N . 34704 1 539 . 1 . 1 46 46 MET H H 1 8.332 0.020 . 1 . . . . A 73 MET H . 34704 1 540 . 1 . 1 46 46 MET HA H 1 5.380 0.020 . 1 . . . . A 73 MET HA . 34704 1 541 . 1 . 1 46 46 MET HB2 H 1 2.354 0.020 . 2 . . . . A 73 MET HB2 . 34704 1 542 . 1 . 1 46 46 MET HB3 H 1 2.202 0.020 . 2 . . . . A 73 MET HB3 . 34704 1 543 . 1 . 1 46 46 MET HG2 H 1 2.795 0.020 . 2 . . . . A 73 MET HG2 . 34704 1 544 . 1 . 1 46 46 MET HG3 H 1 2.680 0.020 . 2 . . . . A 73 MET HG3 . 34704 1 545 . 1 . 1 46 46 MET HE1 H 1 1.736 0.020 . 1 . . . . A 73 MET HE1 . 34704 1 546 . 1 . 1 46 46 MET HE2 H 1 1.736 0.020 . 1 . . . . A 73 MET HE2 . 34704 1 547 . 1 . 1 46 46 MET HE3 H 1 1.736 0.020 . 1 . . . . A 73 MET HE3 . 34704 1 548 . 1 . 1 46 46 MET CA C 13 54.366 0.3 . 1 . . . . A 73 MET CA . 34704 1 549 . 1 . 1 46 46 MET CB C 13 38.411 0.3 . 1 . . . . A 73 MET CB . 34704 1 550 . 1 . 1 46 46 MET CG C 13 32.162 0.3 . 1 . . . . A 73 MET CG . 34704 1 551 . 1 . 1 46 46 MET CE C 13 17.802 0.3 . 1 . . . . A 73 MET CE . 34704 1 552 . 1 . 1 46 46 MET N N 15 114.921 0.3 . 1 . . . . A 73 MET N . 34704 1 553 . 1 . 1 47 47 VAL H H 1 9.708 0.020 . 1 . . . . A 74 VAL H . 34704 1 554 . 1 . 1 47 47 VAL HA H 1 4.730 0.020 . 1 . . . . A 74 VAL HA . 34704 1 555 . 1 . 1 47 47 VAL HB H 1 1.980 0.020 . 1 . . . . A 74 VAL HB . 34704 1 556 . 1 . 1 47 47 VAL HG11 H 1 0.936 0.020 . 2 . . . . A 74 VAL HG11 . 34704 1 557 . 1 . 1 47 47 VAL HG12 H 1 0.936 0.020 . 2 . . . . A 74 VAL HG12 . 34704 1 558 . 1 . 1 47 47 VAL HG13 H 1 0.936 0.020 . 2 . . . . A 74 VAL HG13 . 34704 1 559 . 1 . 1 47 47 VAL HG21 H 1 0.867 0.020 . 2 . . . . A 74 VAL HG21 . 34704 1 560 . 1 . 1 47 47 VAL HG22 H 1 0.867 0.020 . 2 . . . . A 74 VAL HG22 . 34704 1 561 . 1 . 1 47 47 VAL HG23 H 1 0.867 0.020 . 2 . . . . A 74 VAL HG23 . 34704 1 562 . 1 . 1 47 47 VAL CA C 13 60.585 0.3 . 1 . . . . A 74 VAL CA . 34704 1 563 . 1 . 1 47 47 VAL CB C 13 35.128 0.3 . 1 . . . . A 74 VAL CB . 34704 1 564 . 1 . 1 47 47 VAL CG1 C 13 21.741 0.3 . 1 . . . . A 74 VAL CG1 . 34704 1 565 . 1 . 1 47 47 VAL CG2 C 13 21.175 0.3 . 1 . . . . A 74 VAL CG2 . 34704 1 566 . 1 . 1 47 47 VAL N N 15 119.383 0.3 . 1 . . . . A 74 VAL N . 34704 1 567 . 1 . 1 48 48 LEU H H 1 8.970 0.020 . 1 . . . . A 75 LEU H . 34704 1 568 . 1 . 1 48 48 LEU HA H 1 5.662 0.020 . 1 . . . . A 75 LEU HA . 34704 1 569 . 1 . 1 48 48 LEU HB2 H 1 2.020 0.020 . 2 . . . . A 75 LEU HB2 . 34704 1 570 . 1 . 1 48 48 LEU HB3 H 1 1.814 0.020 . 2 . . . . A 75 LEU HB3 . 34704 1 571 . 1 . 1 48 48 LEU HG H 1 1.631 0.020 . 1 . . . . A 75 LEU HG . 34704 1 572 . 1 . 1 48 48 LEU HD11 H 1 1.212 0.020 . 2 . . . . A 75 LEU HD11 . 34704 1 573 . 1 . 1 48 48 LEU HD12 H 1 1.212 0.020 . 2 . . . . A 75 LEU HD12 . 34704 1 574 . 1 . 1 48 48 LEU HD13 H 1 1.212 0.020 . 2 . . . . A 75 LEU HD13 . 34704 1 575 . 1 . 1 48 48 LEU HD21 H 1 1.187 0.020 . 2 . . . . A 75 LEU HD21 . 34704 1 576 . 1 . 1 48 48 LEU HD22 H 1 1.187 0.020 . 2 . . . . A 75 LEU HD22 . 34704 1 577 . 1 . 1 48 48 LEU HD23 H 1 1.187 0.020 . 2 . . . . A 75 LEU HD23 . 34704 1 578 . 1 . 1 48 48 LEU CA C 13 53.236 0.3 . 1 . . . . A 75 LEU CA . 34704 1 579 . 1 . 1 48 48 LEU CB C 13 45.023 0.3 . 1 . . . . A 75 LEU CB . 34704 1 580 . 1 . 1 48 48 LEU CG C 13 27.791 0.3 . 1 . . . . A 75 LEU CG . 34704 1 581 . 1 . 1 48 48 LEU CD1 C 13 26.127 0.3 . 1 . . . . A 75 LEU CD1 . 34704 1 582 . 1 . 1 48 48 LEU CD2 C 13 21.203 0.3 . 1 . . . . A 75 LEU CD2 . 34704 1 583 . 1 . 1 48 48 LEU N N 15 126.185 0.3 . 1 . . . . A 75 LEU N . 34704 1 584 . 1 . 1 49 49 ALA H H 1 10.174 0.020 . 1 . . . . A 76 ALA H . 34704 1 585 . 1 . 1 49 49 ALA HA H 1 5.394 0.020 . 1 . . . . A 76 ALA HA . 34704 1 586 . 1 . 1 49 49 ALA HB1 H 1 1.260 0.020 . 1 . . . . A 76 ALA HB1 . 34704 1 587 . 1 . 1 49 49 ALA HB2 H 1 1.260 0.020 . 1 . . . . A 76 ALA HB2 . 34704 1 588 . 1 . 1 49 49 ALA HB3 H 1 1.260 0.020 . 1 . . . . A 76 ALA HB3 . 34704 1 589 . 1 . 1 49 49 ALA CA C 13 50.803 0.3 . 1 . . . . A 76 ALA CA . 34704 1 590 . 1 . 1 49 49 ALA CB C 13 24.201 0.3 . 1 . . . . A 76 ALA CB . 34704 1 591 . 1 . 1 49 49 ALA N N 15 130.841 0.3 . 1 . . . . A 76 ALA N . 34704 1 592 . 1 . 1 50 50 LYS H H 1 8.907 0.020 . 1 . . . . A 77 LYS H . 34704 1 593 . 1 . 1 50 50 LYS HA H 1 5.102 0.020 . 1 . . . . A 77 LYS HA . 34704 1 594 . 1 . 1 50 50 LYS HB2 H 1 2.020 0.020 . 2 . . . . A 77 LYS HB2 . 34704 1 595 . 1 . 1 50 50 LYS HB3 H 1 1.883 0.020 . 2 . . . . A 77 LYS HB3 . 34704 1 596 . 1 . 1 50 50 LYS HG2 H 1 1.440 0.020 . 2 . . . . A 77 LYS HG2 . 34704 1 597 . 1 . 1 50 50 LYS HG3 H 1 1.314 0.020 . 2 . . . . A 77 LYS HG3 . 34704 1 598 . 1 . 1 50 50 LYS HD2 H 1 1.750 0.020 . 2 . . . . A 77 LYS HD2 . 34704 1 599 . 1 . 1 50 50 LYS HD3 H 1 1.718 0.020 . 2 . . . . A 77 LYS HD3 . 34704 1 600 . 1 . 1 50 50 LYS HE2 H 1 2.872 0.020 . 2 . . . . A 77 LYS HE2 . 34704 1 601 . 1 . 1 50 50 LYS HE3 H 1 2.910 0.020 . 2 . . . . A 77 LYS HE3 . 34704 1 602 . 1 . 1 50 50 LYS CA C 13 53.445 0.3 . 1 . . . . A 77 LYS CA . 34704 1 603 . 1 . 1 50 50 LYS CB C 13 36.260 0.3 . 1 . . . . A 77 LYS CB . 34704 1 604 . 1 . 1 50 50 LYS CG C 13 24.240 0.3 . 1 . . . . A 77 LYS CG . 34704 1 605 . 1 . 1 50 50 LYS CD C 13 29.956 0.3 . 1 . . . . A 77 LYS CD . 34704 1 606 . 1 . 1 50 50 LYS CE C 13 42.129 0.3 . 1 . . . . A 77 LYS CE . 34704 1 607 . 1 . 1 50 50 LYS N N 15 115.651 0.3 . 1 . . . . A 77 LYS N . 34704 1 608 . 1 . 1 51 51 LEU H H 1 8.720 0.020 . 1 . . . . A 78 LEU H . 34704 1 609 . 1 . 1 51 51 LEU HA H 1 4.590 0.020 . 1 . . . . A 78 LEU HA . 34704 1 610 . 1 . 1 51 51 LEU HB2 H 1 1.564 0.020 . 2 . . . . A 78 LEU HB2 . 34704 1 611 . 1 . 1 51 51 LEU HB3 H 1 1.280 0.020 . 2 . . . . A 78 LEU HB3 . 34704 1 612 . 1 . 1 51 51 LEU HG H 1 1.208 0.020 . 1 . . . . A 78 LEU HG . 34704 1 613 . 1 . 1 51 51 LEU HD11 H 1 0.660 0.020 . 2 . . . . A 78 LEU HD11 . 34704 1 614 . 1 . 1 51 51 LEU HD12 H 1 0.660 0.020 . 2 . . . . A 78 LEU HD12 . 34704 1 615 . 1 . 1 51 51 LEU HD13 H 1 0.660 0.020 . 2 . . . . A 78 LEU HD13 . 34704 1 616 . 1 . 1 51 51 LEU HD21 H 1 0.547 0.020 . 2 . . . . A 78 LEU HD21 . 34704 1 617 . 1 . 1 51 51 LEU HD22 H 1 0.547 0.020 . 2 . . . . A 78 LEU HD22 . 34704 1 618 . 1 . 1 51 51 LEU HD23 H 1 0.547 0.020 . 2 . . . . A 78 LEU HD23 . 34704 1 619 . 1 . 1 51 51 LEU CA C 13 53.934 0.3 . 1 . . . . A 78 LEU CA . 34704 1 620 . 1 . 1 51 51 LEU CB C 13 43.251 0.3 . 1 . . . . A 78 LEU CB . 34704 1 621 . 1 . 1 51 51 LEU CG C 13 27.126 0.3 . 1 . . . . A 78 LEU CG . 34704 1 622 . 1 . 1 51 51 LEU CD1 C 13 24.605 0.3 . 1 . . . . A 78 LEU CD1 . 34704 1 623 . 1 . 1 51 51 LEU CD2 C 13 23.294 0.3 . 1 . . . . A 78 LEU CD2 . 34704 1 624 . 1 . 1 51 51 LEU N N 15 123.199 0.3 . 1 . . . . A 78 LEU N . 34704 1 625 . 1 . 1 52 52 ASN H H 1 8.626 0.020 . 1 . . . . A 79 ASN H . 34704 1 626 . 1 . 1 52 52 ASN HA H 1 4.619 0.020 . 1 . . . . A 79 ASN HA . 34704 1 627 . 1 . 1 52 52 ASN HB2 H 1 3.215 0.020 . 2 . . . . A 79 ASN HB2 . 34704 1 628 . 1 . 1 52 52 ASN HB3 H 1 2.568 0.020 . 2 . . . . A 79 ASN HB3 . 34704 1 629 . 1 . 1 52 52 ASN HD21 H 1 8.093 0.020 . 1 . . . . A 79 ASN HD21 . 34704 1 630 . 1 . 1 52 52 ASN HD22 H 1 7.130 0.020 . 1 . . . . A 79 ASN HD22 . 34704 1 631 . 1 . 1 52 52 ASN CA C 13 53.193 0.3 . 1 . . . . A 79 ASN CA . 34704 1 632 . 1 . 1 52 52 ASN CB C 13 38.860 0.3 . 1 . . . . A 79 ASN CB . 34704 1 633 . 1 . 1 52 52 ASN N N 15 125.820 0.3 . 1 . . . . A 79 ASN N . 34704 1 634 . 1 . 1 52 52 ASN ND2 N 15 115.314 0.3 . 1 . . . . A 79 ASN ND2 . 34704 1 635 . 1 . 1 53 53 GLN H H 1 9.042 0.020 . 1 . . . . A 80 GLN H . 34704 1 636 . 1 . 1 53 53 GLN HA H 1 4.040 0.020 . 1 . . . . A 80 GLN HA . 34704 1 637 . 1 . 1 53 53 GLN HB2 H 1 2.205 0.020 . 2 . . . . A 80 GLN HB2 . 34704 1 638 . 1 . 1 53 53 GLN HB3 H 1 2.015 0.020 . 2 . . . . A 80 GLN HB3 . 34704 1 639 . 1 . 1 53 53 GLN HG2 H 1 2.407 0.020 . 2 . . . . A 80 GLN HG2 . 34704 1 640 . 1 . 1 53 53 GLN HG3 H 1 2.356 0.020 . 2 . . . . A 80 GLN HG3 . 34704 1 641 . 1 . 1 53 53 GLN HE21 H 1 7.466 0.020 . 1 . . . . A 80 GLN HE21 . 34704 1 642 . 1 . 1 53 53 GLN HE22 H 1 6.837 0.020 . 1 . . . . A 80 GLN HE22 . 34704 1 643 . 1 . 1 53 53 GLN CA C 13 57.914 0.3 . 1 . . . . A 80 GLN CA . 34704 1 644 . 1 . 1 53 53 GLN CB C 13 28.713 0.3 . 1 . . . . A 80 GLN CB . 34704 1 645 . 1 . 1 53 53 GLN CG C 13 34.194 0.3 . 1 . . . . A 80 GLN CG . 34704 1 646 . 1 . 1 53 53 GLN N N 15 125.471 0.3 . 1 . . . . A 80 GLN N . 34704 1 647 . 1 . 1 53 53 GLN NE2 N 15 112.226 0.3 . 1 . . . . A 80 GLN NE2 . 34704 1 648 . 1 . 1 54 54 THR H H 1 8.626 0.020 . 1 . . . . A 81 THR H . 34704 1 649 . 1 . 1 54 54 THR HA H 1 4.243 0.020 . 1 . . . . A 81 THR HA . 34704 1 650 . 1 . 1 54 54 THR HB H 1 4.345 0.020 . 1 . . . . A 81 THR HB . 34704 1 651 . 1 . 1 54 54 THR HG21 H 1 1.240 0.020 . 1 . . . . A 81 THR HG21 . 34704 1 652 . 1 . 1 54 54 THR HG22 H 1 1.240 0.020 . 1 . . . . A 81 THR HG22 . 34704 1 653 . 1 . 1 54 54 THR HG23 H 1 1.240 0.020 . 1 . . . . A 81 THR HG23 . 34704 1 654 . 1 . 1 54 54 THR CA C 13 64.975 0.3 . 1 . . . . A 81 THR CA . 34704 1 655 . 1 . 1 54 54 THR CB C 13 68.696 0.3 . 1 . . . . A 81 THR CB . 34704 1 656 . 1 . 1 54 54 THR CG2 C 13 21.826 0.3 . 1 . . . . A 81 THR CG2 . 34704 1 657 . 1 . 1 54 54 THR N N 15 114.473 0.3 . 1 . . . . A 81 THR N . 34704 1 658 . 1 . 1 55 55 THR H H 1 7.720 0.020 . 1 . . . . A 82 THR H . 34704 1 659 . 1 . 1 55 55 THR HA H 1 4.275 0.020 . 1 . . . . A 82 THR HA . 34704 1 660 . 1 . 1 55 55 THR HB H 1 4.298 0.020 . 1 . . . . A 82 THR HB . 34704 1 661 . 1 . 1 55 55 THR HG21 H 1 1.132 0.020 . 1 . . . . A 82 THR HG21 . 34704 1 662 . 1 . 1 55 55 THR HG22 H 1 1.132 0.020 . 1 . . . . A 82 THR HG22 . 34704 1 663 . 1 . 1 55 55 THR HG23 H 1 1.132 0.020 . 1 . . . . A 82 THR HG23 . 34704 1 664 . 1 . 1 55 55 THR CA C 13 61.475 0.3 . 1 . . . . A 82 THR CA . 34704 1 665 . 1 . 1 55 55 THR CB C 13 70.140 0.3 . 1 . . . . A 82 THR CB . 34704 1 666 . 1 . 1 55 55 THR CG2 C 13 21.407 0.3 . 1 . . . . A 82 THR CG2 . 34704 1 667 . 1 . 1 55 55 THR N N 15 110.061 0.3 . 1 . . . . A 82 THR N . 34704 1 668 . 1 . 1 56 56 ASN H H 1 8.375 0.020 . 1 . . . . A 83 ASN H . 34704 1 669 . 1 . 1 56 56 ASN HA H 1 4.341 0.020 . 1 . . . . A 83 ASN HA . 34704 1 670 . 1 . 1 56 56 ASN HB2 H 1 3.116 0.020 . 2 . . . . A 83 ASN HB2 . 34704 1 671 . 1 . 1 56 56 ASN HB3 H 1 2.743 0.020 . 2 . . . . A 83 ASN HB3 . 34704 1 672 . 1 . 1 56 56 ASN HD21 H 1 7.449 0.020 . 1 . . . . A 83 ASN HD21 . 34704 1 673 . 1 . 1 56 56 ASN HD22 H 1 6.696 0.020 . 1 . . . . A 83 ASN HD22 . 34704 1 674 . 1 . 1 56 56 ASN CA C 13 54.588 0.3 . 1 . . . . A 83 ASN CA . 34704 1 675 . 1 . 1 56 56 ASN CB C 13 37.751 0.3 . 1 . . . . A 83 ASN CB . 34704 1 676 . 1 . 1 56 56 ASN N N 15 117.940 0.3 . 1 . . . . A 83 ASN N . 34704 1 677 . 1 . 1 56 56 ASN ND2 N 15 111.808 0.3 . 1 . . . . A 83 ASN ND2 . 34704 1 678 . 1 . 1 57 57 LYS H H 1 7.485 0.020 . 1 . . . . A 84 LYS H . 34704 1 679 . 1 . 1 57 57 LYS HA H 1 4.575 0.020 . 1 . . . . A 84 LYS HA . 34704 1 680 . 1 . 1 57 57 LYS HB2 H 1 1.807 0.020 . 2 . . . . A 84 LYS HB2 . 34704 1 681 . 1 . 1 57 57 LYS HB3 H 1 1.642 0.020 . 2 . . . . A 84 LYS HB3 . 34704 1 682 . 1 . 1 57 57 LYS HG2 H 1 1.427 0.020 . 2 . . . . A 84 LYS HG2 . 34704 1 683 . 1 . 1 57 57 LYS HG3 H 1 1.350 0.020 . 2 . . . . A 84 LYS HG3 . 34704 1 684 . 1 . 1 57 57 LYS HD2 H 1 1.682 0.020 . 2 . . . . A 84 LYS HD2 . 34704 1 685 . 1 . 1 57 57 LYS HD3 H 1 1.650 0.020 . 2 . . . . A 84 LYS HD3 . 34704 1 686 . 1 . 1 57 57 LYS HE2 H 1 3.009 0.020 . 2 . . . . A 84 LYS HE2 . 34704 1 687 . 1 . 1 57 57 LYS HE3 H 1 2.991 0.020 . 2 . . . . A 84 LYS HE3 . 34704 1 688 . 1 . 1 57 57 LYS CA C 13 54.915 0.3 . 1 . . . . A 84 LYS CA . 34704 1 689 . 1 . 1 57 57 LYS CB C 13 34.746 0.3 . 1 . . . . A 84 LYS CB . 34704 1 690 . 1 . 1 57 57 LYS CG C 13 24.735 0.3 . 1 . . . . A 84 LYS CG . 34704 1 691 . 1 . 1 57 57 LYS CD C 13 28.803 0.3 . 1 . . . . A 84 LYS CD . 34704 1 692 . 1 . 1 57 57 LYS CE C 13 42.180 0.3 . 1 . . . . A 84 LYS CE . 34704 1 693 . 1 . 1 57 57 LYS N N 15 117.194 0.3 . 1 . . . . A 84 LYS N . 34704 1 694 . 1 . 1 58 58 THR H H 1 8.423 0.020 . 1 . . . . A 85 THR H . 34704 1 695 . 1 . 1 58 58 THR HA H 1 4.607 0.020 . 1 . . . . A 85 THR HA . 34704 1 696 . 1 . 1 58 58 THR HB H 1 4.172 0.020 . 1 . . . . A 85 THR HB . 34704 1 697 . 1 . 1 58 58 THR HG21 H 1 1.191 0.020 . 1 . . . . A 85 THR HG21 . 34704 1 698 . 1 . 1 58 58 THR HG22 H 1 1.191 0.020 . 1 . . . . A 85 THR HG22 . 34704 1 699 . 1 . 1 58 58 THR HG23 H 1 1.191 0.020 . 1 . . . . A 85 THR HG23 . 34704 1 700 . 1 . 1 58 58 THR CA C 13 62.429 0.3 . 1 . . . . A 85 THR CA . 34704 1 701 . 1 . 1 58 58 THR CB C 13 70.021 0.3 . 1 . . . . A 85 THR CB . 34704 1 702 . 1 . 1 58 58 THR CG2 C 13 21.959 0.3 . 1 . . . . A 85 THR CG2 . 34704 1 703 . 1 . 1 58 58 THR N N 15 116.547 0.3 . 1 . . . . A 85 THR N . 34704 1 704 . 1 . 1 59 59 GLU H H 1 9.179 0.020 . 1 . . . . A 86 GLU H . 34704 1 705 . 1 . 1 59 59 GLU HA H 1 4.593 0.020 . 1 . . . . A 86 GLU HA . 34704 1 706 . 1 . 1 59 59 GLU HB2 H 1 1.913 0.020 . 2 . . . . A 86 GLU HB2 . 34704 1 707 . 1 . 1 59 59 GLU HB3 H 1 1.876 0.020 . 2 . . . . A 86 GLU HB3 . 34704 1 708 . 1 . 1 59 59 GLU HG2 H 1 2.176 0.020 . 2 . . . . A 86 GLU HG2 . 34704 1 709 . 1 . 1 59 59 GLU HG3 H 1 2.119 0.020 . 2 . . . . A 86 GLU HG3 . 34704 1 710 . 1 . 1 59 59 GLU CA C 13 54.672 0.3 . 1 . . . . A 86 GLU CA . 34704 1 711 . 1 . 1 59 59 GLU CB C 13 32.426 0.3 . 1 . . . . A 86 GLU CB . 34704 1 712 . 1 . 1 59 59 GLU CG C 13 36.110 0.3 . 1 . . . . A 86 GLU CG . 34704 1 713 . 1 . 1 59 59 GLU N N 15 125.629 0.3 . 1 . . . . A 86 GLU N . 34704 1 714 . 1 . 1 60 60 LEU H H 1 8.629 0.020 . 1 . . . . A 87 LEU H . 34704 1 715 . 1 . 1 60 60 LEU HA H 1 4.291 0.020 . 1 . . . . A 87 LEU HA . 34704 1 716 . 1 . 1 60 60 LEU HB2 H 1 1.694 0.020 . 2 . . . . A 87 LEU HB2 . 34704 1 717 . 1 . 1 60 60 LEU HB3 H 1 1.464 0.020 . 2 . . . . A 87 LEU HB3 . 34704 1 718 . 1 . 1 60 60 LEU HG H 1 1.566 0.020 . 1 . . . . A 87 LEU HG . 34704 1 719 . 1 . 1 60 60 LEU HD11 H 1 0.838 0.020 . 2 . . . . A 87 LEU HD11 . 34704 1 720 . 1 . 1 60 60 LEU HD12 H 1 0.838 0.020 . 2 . . . . A 87 LEU HD12 . 34704 1 721 . 1 . 1 60 60 LEU HD13 H 1 0.838 0.020 . 2 . . . . A 87 LEU HD13 . 34704 1 722 . 1 . 1 60 60 LEU HD21 H 1 0.700 0.020 . 2 . . . . A 87 LEU HD21 . 34704 1 723 . 1 . 1 60 60 LEU HD22 H 1 0.700 0.020 . 2 . . . . A 87 LEU HD22 . 34704 1 724 . 1 . 1 60 60 LEU HD23 H 1 0.700 0.020 . 2 . . . . A 87 LEU HD23 . 34704 1 725 . 1 . 1 60 60 LEU CA C 13 56.431 0.3 . 1 . . . . A 87 LEU CA . 34704 1 726 . 1 . 1 60 60 LEU CB C 13 42.121 0.3 . 1 . . . . A 87 LEU CB . 34704 1 727 . 1 . 1 60 60 LEU CG C 13 27.359 0.3 . 1 . . . . A 87 LEU CG . 34704 1 728 . 1 . 1 60 60 LEU CD1 C 13 25.492 0.3 . 1 . . . . A 87 LEU CD1 . 34704 1 729 . 1 . 1 60 60 LEU CD2 C 13 24.117 0.3 . 1 . . . . A 87 LEU CD2 . 34704 1 730 . 1 . 1 60 60 LEU N N 15 125.488 0.3 . 1 . . . . A 87 LEU N . 34704 1 731 . 1 . 1 61 61 ILE H H 1 9.630 0.020 . 1 . . . . A 88 ILE H . 34704 1 732 . 1 . 1 61 61 ILE HA H 1 4.283 0.020 . 1 . . . . A 88 ILE HA . 34704 1 733 . 1 . 1 61 61 ILE HB H 1 1.675 0.020 . 1 . . . . A 88 ILE HB . 34704 1 734 . 1 . 1 61 61 ILE HG12 H 1 1.635 0.020 . 2 . . . . A 88 ILE HG12 . 34704 1 735 . 1 . 1 61 61 ILE HG13 H 1 1.078 0.020 . 2 . . . . A 88 ILE HG13 . 34704 1 736 . 1 . 1 61 61 ILE HG21 H 1 1.012 0.020 . 1 . . . . A 88 ILE HG21 . 34704 1 737 . 1 . 1 61 61 ILE HG22 H 1 1.012 0.020 . 1 . . . . A 88 ILE HG22 . 34704 1 738 . 1 . 1 61 61 ILE HG23 H 1 1.012 0.020 . 1 . . . . A 88 ILE HG23 . 34704 1 739 . 1 . 1 61 61 ILE HD11 H 1 0.843 0.020 . 1 . . . . A 88 ILE HD11 . 34704 1 740 . 1 . 1 61 61 ILE HD12 H 1 0.843 0.020 . 1 . . . . A 88 ILE HD12 . 34704 1 741 . 1 . 1 61 61 ILE HD13 H 1 0.843 0.020 . 1 . . . . A 88 ILE HD13 . 34704 1 742 . 1 . 1 61 61 ILE CA C 13 62.725 0.3 . 1 . . . . A 88 ILE CA . 34704 1 743 . 1 . 1 61 61 ILE CB C 13 39.792 0.3 . 1 . . . . A 88 ILE CB . 34704 1 744 . 1 . 1 61 61 ILE CG1 C 13 27.004 0.3 . 1 . . . . A 88 ILE CG1 . 34704 1 745 . 1 . 1 61 61 ILE CG2 C 13 17.623 0.3 . 1 . . . . A 88 ILE CG2 . 34704 1 746 . 1 . 1 61 61 ILE CD1 C 13 14.284 0.3 . 1 . . . . A 88 ILE CD1 . 34704 1 747 . 1 . 1 61 61 ILE N N 15 123.149 0.3 . 1 . . . . A 88 ILE N . 34704 1 748 . 1 . 1 62 62 HIS H H 1 8.172 0.020 . 1 . . . . A 89 HIS H . 34704 1 749 . 1 . 1 62 62 HIS HA H 1 4.413 0.020 . 1 . . . . A 89 HIS HA . 34704 1 750 . 1 . 1 62 62 HIS HB2 H 1 3.012 0.020 . 2 . . . . A 89 HIS HB2 . 34704 1 751 . 1 . 1 62 62 HIS HB3 H 1 2.169 0.020 . 2 . . . . A 89 HIS HB3 . 34704 1 752 . 1 . 1 62 62 HIS HD2 H 1 6.492 0.020 . 1 . . . . A 89 HIS HD2 . 34704 1 753 . 1 . 1 62 62 HIS HE1 H 1 7.781 0.020 . 1 . . . . A 89 HIS HE1 . 34704 1 754 . 1 . 1 62 62 HIS CA C 13 55.588 0.3 . 1 . . . . A 89 HIS CA . 34704 1 755 . 1 . 1 62 62 HIS CB C 13 33.914 0.3 . 1 . . . . A 89 HIS CB . 34704 1 756 . 1 . 1 62 62 HIS CD2 C 13 117.832 0.3 . 1 . . . . A 89 HIS CD2 . 34704 1 757 . 1 . 1 62 62 HIS CE1 C 13 138.558 0.3 . 1 . . . . A 89 HIS CE1 . 34704 1 758 . 1 . 1 62 62 HIS N N 15 118.320 0.3 . 1 . . . . A 89 HIS N . 34704 1 759 . 1 . 1 63 63 GLN H H 1 6.788 0.020 . 1 . . . . A 90 GLN H . 34704 1 760 . 1 . 1 63 63 GLN HA H 1 4.817 0.020 . 1 . . . . A 90 GLN HA . 34704 1 761 . 1 . 1 63 63 GLN HB2 H 1 1.945 0.020 . 2 . . . . A 90 GLN HB2 . 34704 1 762 . 1 . 1 63 63 GLN HB3 H 1 1.777 0.020 . 2 . . . . A 90 GLN HB3 . 34704 1 763 . 1 . 1 63 63 GLN HG2 H 1 1.900 0.020 . 2 . . . . A 90 GLN HG2 . 34704 1 764 . 1 . 1 63 63 GLN HG3 H 1 1.842 0.020 . 2 . . . . A 90 GLN HG3 . 34704 1 765 . 1 . 1 63 63 GLN HE21 H 1 6.996 0.020 . 1 . . . . A 90 GLN HE21 . 34704 1 766 . 1 . 1 63 63 GLN HE22 H 1 6.502 0.020 . 1 . . . . A 90 GLN HE22 . 34704 1 767 . 1 . 1 63 63 GLN CA C 13 54.458 0.3 . 1 . . . . A 90 GLN CA . 34704 1 768 . 1 . 1 63 63 GLN CB C 13 32.062 0.3 . 1 . . . . A 90 GLN CB . 34704 1 769 . 1 . 1 63 63 GLN CG C 13 32.170 0.3 . 1 . . . . A 90 GLN CG . 34704 1 770 . 1 . 1 63 63 GLN N N 15 118.123 0.3 . 1 . . . . A 90 GLN N . 34704 1 771 . 1 . 1 63 63 GLN NE2 N 15 110.252 0.3 . 1 . . . . A 90 GLN NE2 . 34704 1 772 . 1 . 1 64 64 TRP H H 1 9.029 0.020 . 1 . . . . A 91 TRP H . 34704 1 773 . 1 . 1 64 64 TRP HA H 1 4.438 0.020 . 1 . . . . A 91 TRP HA . 34704 1 774 . 1 . 1 64 64 TRP HB2 H 1 2.854 0.020 . 2 . . . . A 91 TRP HB2 . 34704 1 775 . 1 . 1 64 64 TRP HB3 H 1 2.589 0.020 . 2 . . . . A 91 TRP HB3 . 34704 1 776 . 1 . 1 64 64 TRP HD1 H 1 7.335 0.020 . 1 . . . . A 91 TRP HD1 . 34704 1 777 . 1 . 1 64 64 TRP HE1 H 1 10.018 0.020 . 1 . . . . A 91 TRP HE1 . 34704 1 778 . 1 . 1 64 64 TRP HE3 H 1 7.491 0.020 . 1 . . . . A 91 TRP HE3 . 34704 1 779 . 1 . 1 64 64 TRP HZ2 H 1 6.986 0.020 . 1 . . . . A 91 TRP HZ2 . 34704 1 780 . 1 . 1 64 64 TRP HZ3 H 1 6.843 0.020 . 1 . . . . A 91 TRP HZ3 . 34704 1 781 . 1 . 1 64 64 TRP HH2 H 1 7.177 0.020 . 1 . . . . A 91 TRP HH2 . 34704 1 782 . 1 . 1 64 64 TRP CA C 13 58.181 0.3 . 1 . . . . A 91 TRP CA . 34704 1 783 . 1 . 1 64 64 TRP CB C 13 31.939 0.3 . 1 . . . . A 91 TRP CB . 34704 1 784 . 1 . 1 64 64 TRP CD1 C 13 126.939 0.3 . 1 . . . . A 91 TRP CD1 . 34704 1 785 . 1 . 1 64 64 TRP CE3 C 13 121.134 0.3 . 1 . . . . A 91 TRP CE3 . 34704 1 786 . 1 . 1 64 64 TRP CZ2 C 13 114.505 0.3 . 1 . . . . A 91 TRP CZ2 . 34704 1 787 . 1 . 1 64 64 TRP CZ3 C 13 121.203 0.3 . 1 . . . . A 91 TRP CZ3 . 34704 1 788 . 1 . 1 64 64 TRP CH2 C 13 123.122 0.3 . 1 . . . . A 91 TRP CH2 . 34704 1 789 . 1 . 1 64 64 TRP N N 15 121.523 0.3 . 1 . . . . A 91 TRP N . 34704 1 790 . 1 . 1 64 64 TRP NE1 N 15 128.496 0.3 . 1 . . . . A 91 TRP NE1 . 34704 1 791 . 1 . 1 65 65 GLN H H 1 8.251 0.020 . 1 . . . . A 92 GLN H . 34704 1 792 . 1 . 1 65 65 GLN HA H 1 4.399 0.020 . 1 . . . . A 92 GLN HA . 34704 1 793 . 1 . 1 65 65 GLN HB2 H 1 1.806 0.020 . 2 . . . . A 92 GLN HB2 . 34704 1 794 . 1 . 1 65 65 GLN HB3 H 1 1.566 0.020 . 2 . . . . A 92 GLN HB3 . 34704 1 795 . 1 . 1 65 65 GLN HG2 H 1 1.621 0.020 . 2 . . . . A 92 GLN HG2 . 34704 1 796 . 1 . 1 65 65 GLN HG3 H 1 1.321 0.020 . 2 . . . . A 92 GLN HG3 . 34704 1 797 . 1 . 1 65 65 GLN HE21 H 1 6.942 0.020 . 1 . . . . A 92 GLN HE21 . 34704 1 798 . 1 . 1 65 65 GLN HE22 H 1 6.639 0.020 . 1 . . . . A 92 GLN HE22 . 34704 1 799 . 1 . 1 65 65 GLN CA C 13 54.354 0.3 . 1 . . . . A 92 GLN CA . 34704 1 800 . 1 . 1 65 65 GLN CB C 13 31.358 0.3 . 1 . . . . A 92 GLN CB . 34704 1 801 . 1 . 1 65 65 GLN CG C 13 34.311 0.3 . 1 . . . . A 92 GLN CG . 34704 1 802 . 1 . 1 65 65 GLN N N 15 119.412 0.3 . 1 . . . . A 92 GLN N . 34704 1 803 . 1 . 1 65 65 GLN NE2 N 15 111.703 0.3 . 1 . . . . A 92 GLN NE2 . 34704 1 804 . 1 . 1 66 66 TRP H H 1 7.629 0.020 . 1 . . . . A 93 TRP H . 34704 1 805 . 1 . 1 66 66 TRP HA H 1 5.136 0.020 . 1 . . . . A 93 TRP HA . 34704 1 806 . 1 . 1 66 66 TRP HB2 H 1 3.420 0.020 . 2 . . . . A 93 TRP HB2 . 34704 1 807 . 1 . 1 66 66 TRP HB3 H 1 3.136 0.020 . 2 . . . . A 93 TRP HB3 . 34704 1 808 . 1 . 1 66 66 TRP HD1 H 1 7.081 0.020 . 1 . . . . A 93 TRP HD1 . 34704 1 809 . 1 . 1 66 66 TRP HE1 H 1 9.884 0.020 . 1 . . . . A 93 TRP HE1 . 34704 1 810 . 1 . 1 66 66 TRP HE3 H 1 7.452 0.020 . 1 . . . . A 93 TRP HE3 . 34704 1 811 . 1 . 1 66 66 TRP HZ2 H 1 7.201 0.020 . 1 . . . . A 93 TRP HZ2 . 34704 1 812 . 1 . 1 66 66 TRP HZ3 H 1 6.712 0.020 . 1 . . . . A 93 TRP HZ3 . 34704 1 813 . 1 . 1 66 66 TRP HH2 H 1 6.685 0.020 . 1 . . . . A 93 TRP HH2 . 34704 1 814 . 1 . 1 66 66 TRP CA C 13 54.760 0.3 . 1 . . . . A 93 TRP CA . 34704 1 815 . 1 . 1 66 66 TRP CB C 13 30.022 0.3 . 1 . . . . A 93 TRP CB . 34704 1 816 . 1 . 1 66 66 TRP CD1 C 13 126.883 0.3 . 1 . . . . A 93 TRP CD1 . 34704 1 817 . 1 . 1 66 66 TRP CE3 C 13 120.577 0.3 . 1 . . . . A 93 TRP CE3 . 34704 1 818 . 1 . 1 66 66 TRP CZ2 C 13 113.025 0.3 . 1 . . . . A 93 TRP CZ2 . 34704 1 819 . 1 . 1 66 66 TRP CZ3 C 13 121.526 0.3 . 1 . . . . A 93 TRP CZ3 . 34704 1 820 . 1 . 1 66 66 TRP CH2 C 13 123.620 0.3 . 1 . . . . A 93 TRP CH2 . 34704 1 821 . 1 . 1 66 66 TRP N N 15 122.668 0.3 . 1 . . . . A 93 TRP N . 34704 1 822 . 1 . 1 66 66 TRP NE1 N 15 127.779 0.3 . 1 . . . . A 93 TRP NE1 . 34704 1 823 . 1 . 1 67 67 SER H H 1 8.657 0.020 . 1 . . . . A 94 SER H . 34704 1 824 . 1 . 1 67 67 SER HA H 1 4.669 0.020 . 1 . . . . A 94 SER HA . 34704 1 825 . 1 . 1 67 67 SER HB2 H 1 3.985 0.020 . 2 . . . . A 94 SER HB2 . 34704 1 826 . 1 . 1 67 67 SER HB3 H 1 3.971 0.020 . 2 . . . . A 94 SER HB3 . 34704 1 827 . 1 . 1 67 67 SER CA C 13 58.173 0.3 . 1 . . . . A 94 SER CA . 34704 1 828 . 1 . 1 67 67 SER CB C 13 63.648 0.3 . 1 . . . . A 94 SER CB . 34704 1 829 . 1 . 1 67 67 SER N N 15 115.021 0.3 . 1 . . . . A 94 SER N . 34704 1 830 . 1 . 1 68 68 SER H H 1 8.404 0.020 . 1 . . . . A 95 SER H . 34704 1 831 . 1 . 1 68 68 SER HA H 1 4.765 0.020 . 1 . . . . A 95 SER HA . 34704 1 832 . 1 . 1 68 68 SER HB2 H 1 4.110 0.020 . 2 . . . . A 95 SER HB2 . 34704 1 833 . 1 . 1 68 68 SER HB3 H 1 3.997 0.020 . 2 . . . . A 95 SER HB3 . 34704 1 834 . 1 . 1 68 68 SER CA C 13 57.376 0.3 . 1 . . . . A 95 SER CA . 34704 1 835 . 1 . 1 68 68 SER CB C 13 64.280 0.3 . 1 . . . . A 95 SER CB . 34704 1 836 . 1 . 1 68 68 SER N N 15 116.961 0.3 . 1 . . . . A 95 SER N . 34704 1 837 . 1 . 1 69 69 ASN HA H 1 4.986 0.020 . 1 . . . . A 96 ASN HA . 34704 1 838 . 1 . 1 69 69 ASN HB2 H 1 2.989 0.020 . 2 . . . . A 96 ASN HB2 . 34704 1 839 . 1 . 1 69 69 ASN HB3 H 1 2.977 0.020 . 2 . . . . A 96 ASN HB3 . 34704 1 840 . 1 . 1 69 69 ASN HD21 H 1 7.747 0.020 . 1 . . . . A 96 ASN HD21 . 34704 1 841 . 1 . 1 69 69 ASN HD22 H 1 7.025 0.020 . 1 . . . . A 96 ASN HD22 . 34704 1 842 . 1 . 1 69 69 ASN CA C 13 54.270 0.3 . 1 . . . . A 96 ASN CA . 34704 1 843 . 1 . 1 69 69 ASN CB C 13 39.315 0.3 . 1 . . . . A 96 ASN CB . 34704 1 844 . 1 . 1 69 69 ASN ND2 N 15 113.342 0.3 . 1 . . . . A 96 ASN ND2 . 34704 1 845 . 1 . 1 70 70 SER H H 1 9.008 0.020 . 1 . . . . A 97 SER H . 34704 1 846 . 1 . 1 70 70 SER HA H 1 4.525 0.020 . 1 . . . . A 97 SER HA . 34704 1 847 . 1 . 1 70 70 SER HB2 H 1 3.751 0.020 . 2 . . . . A 97 SER HB2 . 34704 1 848 . 1 . 1 70 70 SER HB3 H 1 3.737 0.020 . 2 . . . . A 97 SER HB3 . 34704 1 849 . 1 . 1 70 70 SER CA C 13 59.601 0.3 . 1 . . . . A 97 SER CA . 34704 1 850 . 1 . 1 70 70 SER CB C 13 64.173 0.3 . 1 . . . . A 97 SER CB . 34704 1 851 . 1 . 1 70 70 SER N N 15 114.556 0.3 . 1 . . . . A 97 SER N . 34704 1 852 . 1 . 1 71 71 TRP H H 1 8.266 0.020 . 1 . . . . A 98 TRP H . 34704 1 853 . 1 . 1 71 71 TRP HA H 1 4.950 0.020 . 1 . . . . A 98 TRP HA . 34704 1 854 . 1 . 1 71 71 TRP HB2 H 1 2.964 0.020 . 2 . . . . A 98 TRP HB2 . 34704 1 855 . 1 . 1 71 71 TRP HB3 H 1 2.779 0.020 . 2 . . . . A 98 TRP HB3 . 34704 1 856 . 1 . 1 71 71 TRP HD1 H 1 7.275 0.020 . 1 . . . . A 98 TRP HD1 . 34704 1 857 . 1 . 1 71 71 TRP HE1 H 1 10.281 0.020 . 1 . . . . A 98 TRP HE1 . 34704 1 858 . 1 . 1 71 71 TRP HE3 H 1 7.168 0.020 . 1 . . . . A 98 TRP HE3 . 34704 1 859 . 1 . 1 71 71 TRP HZ2 H 1 7.471 0.020 . 1 . . . . A 98 TRP HZ2 . 34704 1 860 . 1 . 1 71 71 TRP HZ3 H 1 6.810 0.020 . 1 . . . . A 98 TRP HZ3 . 34704 1 861 . 1 . 1 71 71 TRP HH2 H 1 6.953 0.020 . 1 . . . . A 98 TRP HH2 . 34704 1 862 . 1 . 1 71 71 TRP CA C 13 56.549 0.3 . 1 . . . . A 98 TRP CA . 34704 1 863 . 1 . 1 71 71 TRP CB C 13 30.125 0.3 . 1 . . . . A 98 TRP CB . 34704 1 864 . 1 . 1 71 71 TRP CD1 C 13 128.047 0.3 . 1 . . . . A 98 TRP CD1 . 34704 1 865 . 1 . 1 71 71 TRP CE3 C 13 120.641 0.3 . 1 . . . . A 98 TRP CE3 . 34704 1 866 . 1 . 1 71 71 TRP CZ2 C 13 113.237 0.3 . 1 . . . . A 98 TRP CZ2 . 34704 1 867 . 1 . 1 71 71 TRP CZ3 C 13 121.885 0.3 . 1 . . . . A 98 TRP CZ3 . 34704 1 868 . 1 . 1 71 71 TRP CH2 C 13 123.863 0.3 . 1 . . . . A 98 TRP CH2 . 34704 1 869 . 1 . 1 71 71 TRP N N 15 120.478 0.3 . 1 . . . . A 98 TRP N . 34704 1 870 . 1 . 1 71 71 TRP NE1 N 15 128.700 0.3 . 1 . . . . A 98 TRP NE1 . 34704 1 871 . 1 . 1 72 72 ASN H H 1 9.323 0.020 . 1 . . . . A 99 ASN H . 34704 1 872 . 1 . 1 72 72 ASN HA H 1 5.347 0.020 . 1 . . . . A 99 ASN HA . 34704 1 873 . 1 . 1 72 72 ASN HB2 H 1 2.965 0.020 . 2 . . . . A 99 ASN HB2 . 34704 1 874 . 1 . 1 72 72 ASN HB3 H 1 2.796 0.020 . 2 . . . . A 99 ASN HB3 . 34704 1 875 . 1 . 1 72 72 ASN HD21 H 1 7.717 0.020 . 1 . . . . A 99 ASN HD21 . 34704 1 876 . 1 . 1 72 72 ASN HD22 H 1 7.091 0.020 . 1 . . . . A 99 ASN HD22 . 34704 1 877 . 1 . 1 72 72 ASN CA C 13 51.986 0.3 . 1 . . . . A 99 ASN CA . 34704 1 878 . 1 . 1 72 72 ASN CB C 13 41.129 0.3 . 1 . . . . A 99 ASN CB . 34704 1 879 . 1 . 1 72 72 ASN N N 15 122.021 0.3 . 1 . . . . A 99 ASN N . 34704 1 880 . 1 . 1 72 72 ASN ND2 N 15 113.538 0.3 . 1 . . . . A 99 ASN ND2 . 34704 1 881 . 1 . 1 73 73 ILE H H 1 8.748 0.020 . 1 . . . . A 100 ILE H . 34704 1 882 . 1 . 1 73 73 ILE HA H 1 4.976 0.020 . 1 . . . . A 100 ILE HA . 34704 1 883 . 1 . 1 73 73 ILE HB H 1 1.731 0.020 . 1 . . . . A 100 ILE HB . 34704 1 884 . 1 . 1 73 73 ILE HG12 H 1 1.676 0.020 . 2 . . . . A 100 ILE HG12 . 34704 1 885 . 1 . 1 73 73 ILE HG13 H 1 0.865 0.020 . 2 . . . . A 100 ILE HG13 . 34704 1 886 . 1 . 1 73 73 ILE HG21 H 1 0.829 0.020 . 1 . . . . A 100 ILE HG21 . 34704 1 887 . 1 . 1 73 73 ILE HG22 H 1 0.829 0.020 . 1 . . . . A 100 ILE HG22 . 34704 1 888 . 1 . 1 73 73 ILE HG23 H 1 0.829 0.020 . 1 . . . . A 100 ILE HG23 . 34704 1 889 . 1 . 1 73 73 ILE HD11 H 1 0.743 0.020 . 1 . . . . A 100 ILE HD11 . 34704 1 890 . 1 . 1 73 73 ILE HD12 H 1 0.743 0.020 . 1 . . . . A 100 ILE HD12 . 34704 1 891 . 1 . 1 73 73 ILE HD13 H 1 0.743 0.020 . 1 . . . . A 100 ILE HD13 . 34704 1 892 . 1 . 1 73 73 ILE CA C 13 61.449 0.3 . 1 . . . . A 100 ILE CA . 34704 1 893 . 1 . 1 73 73 ILE CB C 13 40.646 0.3 . 1 . . . . A 100 ILE CB . 34704 1 894 . 1 . 1 73 73 ILE CG1 C 13 27.453 0.3 . 1 . . . . A 100 ILE CG1 . 34704 1 895 . 1 . 1 73 73 ILE CG2 C 13 18.050 0.3 . 1 . . . . A 100 ILE CG2 . 34704 1 896 . 1 . 1 73 73 ILE CD1 C 13 14.430 0.3 . 1 . . . . A 100 ILE CD1 . 34704 1 897 . 1 . 1 73 73 ILE N N 15 122.734 0.3 . 1 . . . . A 100 ILE N . 34704 1 898 . 1 . 1 74 74 ASN H H 1 8.826 0.020 . 1 . . . . A 101 ASN H . 34704 1 899 . 1 . 1 74 74 ASN HA H 1 5.484 0.020 . 1 . . . . A 101 ASN HA . 34704 1 900 . 1 . 1 74 74 ASN HB2 H 1 2.817 0.020 . 2 . . . . A 101 ASN HB2 . 34704 1 901 . 1 . 1 74 74 ASN HB3 H 1 2.719 0.020 . 2 . . . . A 101 ASN HB3 . 34704 1 902 . 1 . 1 74 74 ASN HD21 H 1 7.915 0.020 . 1 . . . . A 101 ASN HD21 . 34704 1 903 . 1 . 1 74 74 ASN HD22 H 1 7.112 0.020 . 1 . . . . A 101 ASN HD22 . 34704 1 904 . 1 . 1 74 74 ASN CA C 13 52.250 0.3 . 1 . . . . A 101 ASN CA . 34704 1 905 . 1 . 1 74 74 ASN CB C 13 42.952 0.3 . 1 . . . . A 101 ASN CB . 34704 1 906 . 1 . 1 74 74 ASN N N 15 124.111 0.3 . 1 . . . . A 101 ASN N . 34704 1 907 . 1 . 1 74 74 ASN ND2 N 15 112.956 0.3 . 1 . . . . A 101 ASN ND2 . 34704 1 908 . 1 . 1 75 75 TRP H H 1 7.935 0.020 . 1 . . . . A 102 TRP H . 34704 1 909 . 1 . 1 75 75 TRP HA H 1 4.717 0.020 . 1 . . . . A 102 TRP HA . 34704 1 910 . 1 . 1 75 75 TRP HB2 H 1 2.200 0.020 . 2 . . . . A 102 TRP HB2 . 34704 1 911 . 1 . 1 75 75 TRP HB3 H 1 1.491 0.020 . 2 . . . . A 102 TRP HB3 . 34704 1 912 . 1 . 1 75 75 TRP HD1 H 1 6.888 0.020 . 1 . . . . A 102 TRP HD1 . 34704 1 913 . 1 . 1 75 75 TRP HE1 H 1 9.784 0.020 . 1 . . . . A 102 TRP HE1 . 34704 1 914 . 1 . 1 75 75 TRP HE3 H 1 4.974 0.020 . 1 . . . . A 102 TRP HE3 . 34704 1 915 . 1 . 1 75 75 TRP HZ2 H 1 6.930 0.020 . 1 . . . . A 102 TRP HZ2 . 34704 1 916 . 1 . 1 75 75 TRP HZ3 H 1 5.993 0.020 . 1 . . . . A 102 TRP HZ3 . 34704 1 917 . 1 . 1 75 75 TRP HH2 H 1 6.574 0.020 . 1 . . . . A 102 TRP HH2 . 34704 1 918 . 1 . 1 75 75 TRP CA C 13 55.558 0.3 . 1 . . . . A 102 TRP CA . 34704 1 919 . 1 . 1 75 75 TRP CB C 13 30.809 0.3 . 1 . . . . A 102 TRP CB . 34704 1 920 . 1 . 1 75 75 TRP CD1 C 13 126.704 0.3 . 1 . . . . A 102 TRP CD1 . 34704 1 921 . 1 . 1 75 75 TRP CE3 C 13 121.646 0.3 . 1 . . . . A 102 TRP CE3 . 34704 1 922 . 1 . 1 75 75 TRP CZ2 C 13 112.977 0.3 . 1 . . . . A 102 TRP CZ2 . 34704 1 923 . 1 . 1 75 75 TRP CZ3 C 13 119.711 0.3 . 1 . . . . A 102 TRP CZ3 . 34704 1 924 . 1 . 1 75 75 TRP CH2 C 13 122.578 0.3 . 1 . . . . A 102 TRP CH2 . 34704 1 925 . 1 . 1 75 75 TRP N N 15 123.995 0.3 . 1 . . . . A 102 TRP N . 34704 1 926 . 1 . 1 75 75 TRP NE1 N 15 127.607 0.3 . 1 . . . . A 102 TRP NE1 . 34704 1 927 . 1 . 1 76 76 LYS H H 1 8.189 0.020 . 1 . . . . A 103 LYS H . 34704 1 928 . 1 . 1 76 76 LYS HA H 1 4.244 0.020 . 1 . . . . A 103 LYS HA . 34704 1 929 . 1 . 1 76 76 LYS HB2 H 1 1.442 0.020 . 2 . . . . A 103 LYS HB2 . 34704 1 930 . 1 . 1 76 76 LYS HB3 H 1 1.309 0.020 . 2 . . . . A 103 LYS HB3 . 34704 1 931 . 1 . 1 76 76 LYS HG2 H 1 1.192 0.020 . 2 . . . . A 103 LYS HG2 . 34704 1 932 . 1 . 1 76 76 LYS HG3 H 1 1.065 0.020 . 2 . . . . A 103 LYS HG3 . 34704 1 933 . 1 . 1 76 76 LYS HD2 H 1 1.543 0.020 . 2 . . . . A 103 LYS HD2 . 34704 1 934 . 1 . 1 76 76 LYS HD3 H 1 1.531 0.020 . 2 . . . . A 103 LYS HD3 . 34704 1 935 . 1 . 1 76 76 LYS HE2 H 1 2.845 0.020 . 2 . . . . A 103 LYS HE2 . 34704 1 936 . 1 . 1 76 76 LYS HE3 H 1 2.900 0.020 . 2 . . . . A 103 LYS HE3 . 34704 1 937 . 1 . 1 76 76 LYS CA C 13 53.067 0.3 . 1 . . . . A 103 LYS CA . 34704 1 938 . 1 . 1 76 76 LYS CB C 13 32.454 0.3 . 1 . . . . A 103 LYS CB . 34704 1 939 . 1 . 1 76 76 LYS CG C 13 24.198 0.3 . 1 . . . . A 103 LYS CG . 34704 1 940 . 1 . 1 76 76 LYS CD C 13 28.804 0.3 . 1 . . . . A 103 LYS CD . 34704 1 941 . 1 . 1 76 76 LYS CE C 13 42.046 0.3 . 1 . . . . A 103 LYS CE . 34704 1 942 . 1 . 1 76 76 LYS N N 15 128.822 0.3 . 1 . . . . A 103 LYS N . 34704 1 943 . 1 . 1 77 77 GLY H H 1 7.948 0.020 . 1 . . . . A 104 GLY H . 34704 1 944 . 1 . 1 77 77 GLY HA2 H 1 4.114 0.020 . 2 . . . . A 104 GLY HA2 . 34704 1 945 . 1 . 1 77 77 GLY HA3 H 1 3.849 0.020 . 2 . . . . A 104 GLY HA3 . 34704 1 946 . 1 . 1 77 77 GLY CA C 13 44.492 0.3 . 1 . . . . A 104 GLY CA . 34704 1 947 . 1 . 1 77 77 GLY N N 15 114.141 0.3 . 1 . . . . A 104 GLY N . 34704 1 948 . 1 . 1 78 78 VAL H H 1 8.332 0.020 . 1 . . . . A 105 VAL H . 34704 1 949 . 1 . 1 78 78 VAL HA H 1 3.905 0.020 . 1 . . . . A 105 VAL HA . 34704 1 950 . 1 . 1 78 78 VAL HB H 1 2.078 0.020 . 1 . . . . A 105 VAL HB . 34704 1 951 . 1 . 1 78 78 VAL HG11 H 1 0.981 0.020 . 2 . . . . A 105 VAL HG11 . 34704 1 952 . 1 . 1 78 78 VAL HG12 H 1 0.981 0.020 . 2 . . . . A 105 VAL HG12 . 34704 1 953 . 1 . 1 78 78 VAL HG13 H 1 0.981 0.020 . 2 . . . . A 105 VAL HG13 . 34704 1 954 . 1 . 1 78 78 VAL HG21 H 1 0.971 0.020 . 2 . . . . A 105 VAL HG21 . 34704 1 955 . 1 . 1 78 78 VAL HG22 H 1 0.971 0.020 . 2 . . . . A 105 VAL HG22 . 34704 1 956 . 1 . 1 78 78 VAL HG23 H 1 0.971 0.020 . 2 . . . . A 105 VAL HG23 . 34704 1 957 . 1 . 1 78 78 VAL CA C 13 64.711 0.3 . 1 . . . . A 105 VAL CA . 34704 1 958 . 1 . 1 78 78 VAL CB C 13 31.625 0.3 . 1 . . . . A 105 VAL CB . 34704 1 959 . 1 . 1 78 78 VAL CG1 C 13 21.382 0.3 . 1 . . . . A 105 VAL CG1 . 34704 1 960 . 1 . 1 78 78 VAL CG2 C 13 21.046 0.3 . 1 . . . . A 105 VAL CG2 . 34704 1 961 . 1 . 1 78 78 VAL N N 15 120.760 0.3 . 1 . . . . A 105 VAL N . 34704 1 962 . 1 . 1 79 79 ASP H H 1 8.695 0.020 . 1 . . . . A 106 ASP H . 34704 1 963 . 1 . 1 79 79 ASP HA H 1 4.736 0.020 . 1 . . . . A 106 ASP HA . 34704 1 964 . 1 . 1 79 79 ASP HB2 H 1 2.921 0.020 . 2 . . . . A 106 ASP HB2 . 34704 1 965 . 1 . 1 79 79 ASP HB3 H 1 2.816 0.020 . 2 . . . . A 106 ASP HB3 . 34704 1 966 . 1 . 1 79 79 ASP CA C 13 53.784 0.3 . 1 . . . . A 106 ASP CA . 34704 1 967 . 1 . 1 79 79 ASP CB C 13 41.333 0.3 . 1 . . . . A 106 ASP CB . 34704 1 968 . 1 . 1 79 79 ASP N N 15 117.708 0.3 . 1 . . . . A 106 ASP N . 34704 1 969 . 1 . 1 80 80 SER H H 1 7.654 0.020 . 1 . . . . A 107 SER H . 34704 1 970 . 1 . 1 80 80 SER HA H 1 4.443 0.020 . 1 . . . . A 107 SER HA . 34704 1 971 . 1 . 1 80 80 SER HB2 H 1 4.173 0.020 . 2 . . . . A 107 SER HB2 . 34704 1 972 . 1 . 1 80 80 SER HB3 H 1 3.988 0.020 . 2 . . . . A 107 SER HB3 . 34704 1 973 . 1 . 1 80 80 SER CA C 13 58.412 0.3 . 1 . . . . A 107 SER CA . 34704 1 974 . 1 . 1 80 80 SER CB C 13 63.766 0.3 . 1 . . . . A 107 SER CB . 34704 1 975 . 1 . 1 80 80 SER N N 15 111.907 0.3 . 1 . . . . A 107 SER N . 34704 1 976 . 1 . 1 81 81 ASN HA H 1 4.660 0.020 . 1 . . . . A 108 ASN HA . 34704 1 977 . 1 . 1 81 81 ASN HB2 H 1 2.800 0.020 . 2 . . . . A 108 ASN HB2 . 34704 1 978 . 1 . 1 81 81 ASN HB3 H 1 2.750 0.020 . 2 . . . . A 108 ASN HB3 . 34704 1 979 . 1 . 1 81 81 ASN CA C 13 53.560 0.3 . 1 . . . . A 108 ASN CA . 34704 1 980 . 1 . 1 81 81 ASN CB C 13 38.594 0.3 . 1 . . . . A 108 ASN CB . 34704 1 981 . 1 . 1 81 81 ASN ND2 N 15 112.760 0.3 . 1 . . . . A 108 ASN ND2 . 34704 1 982 . 1 . 1 82 82 HIS HA H 1 5.140 0.020 . 1 . . . . A 109 HIS HA . 34704 1 983 . 1 . 1 82 82 HIS HB2 H 1 3.390 0.020 . 2 . . . . A 109 HIS HB2 . 34704 1 984 . 1 . 1 82 82 HIS HB3 H 1 3.114 0.020 . 2 . . . . A 109 HIS HB3 . 34704 1 985 . 1 . 1 82 82 HIS HD2 H 1 7.158 0.020 . 1 . . . . A 109 HIS HD2 . 34704 1 986 . 1 . 1 82 82 HIS HE1 H 1 8.101 0.020 . 1 . . . . A 109 HIS HE1 . 34704 1 987 . 1 . 1 82 82 HIS CA C 13 57.042 0.3 . 1 . . . . A 109 HIS CA . 34704 1 988 . 1 . 1 82 82 HIS CB C 13 31.417 0.3 . 1 . . . . A 109 HIS CB . 34704 1 989 . 1 . 1 82 82 HIS CD2 C 13 119.111 0.3 . 1 . . . . A 109 HIS CD2 . 34704 1 990 . 1 . 1 82 82 HIS CE1 C 13 138.982 0.3 . 1 . . . . A 109 HIS CE1 . 34704 1 991 . 1 . 1 83 83 ARG H H 1 7.495 0.020 . 1 . . . . A 110 ARG H . 34704 1 992 . 1 . 1 83 83 ARG HA H 1 5.253 0.020 . 1 . . . . A 110 ARG HA . 34704 1 993 . 1 . 1 83 83 ARG HB2 H 1 1.871 0.020 . 2 . . . . A 110 ARG HB2 . 34704 1 994 . 1 . 1 83 83 ARG HB3 H 1 1.748 0.020 . 2 . . . . A 110 ARG HB3 . 34704 1 995 . 1 . 1 83 83 ARG HG2 H 1 1.478 0.020 . 2 . . . . A 110 ARG HG2 . 34704 1 996 . 1 . 1 83 83 ARG HG3 H 1 1.459 0.020 . 2 . . . . A 110 ARG HG3 . 34704 1 997 . 1 . 1 83 83 ARG HD2 H 1 2.893 0.020 . 2 . . . . A 110 ARG HD2 . 34704 1 998 . 1 . 1 83 83 ARG HD3 H 1 2.860 0.020 . 2 . . . . A 110 ARG HD3 . 34704 1 999 . 1 . 1 83 83 ARG CA C 13 55.120 0.3 . 1 . . . . A 110 ARG CA . 34704 1 1000 . 1 . 1 83 83 ARG CB C 13 33.086 0.3 . 1 . . . . A 110 ARG CB . 34704 1 1001 . 1 . 1 83 83 ARG CG C 13 25.972 0.3 . 1 . . . . A 110 ARG CG . 34704 1 1002 . 1 . 1 83 83 ARG CD C 13 43.676 0.3 . 1 . . . . A 110 ARG CD . 34704 1 1003 . 1 . 1 83 83 ARG N N 15 115.502 0.3 . 1 . . . . A 110 ARG N . 34704 1 1004 . 1 . 1 84 84 ILE H H 1 9.233 0.020 . 1 . . . . A 111 ILE H . 34704 1 1005 . 1 . 1 84 84 ILE HA H 1 4.111 0.020 . 1 . . . . A 111 ILE HA . 34704 1 1006 . 1 . 1 84 84 ILE HB H 1 1.658 0.020 . 1 . . . . A 111 ILE HB . 34704 1 1007 . 1 . 1 84 84 ILE HG12 H 1 0.647 0.020 . 2 . . . . A 111 ILE HG12 . 34704 1 1008 . 1 . 1 84 84 ILE HG13 H 1 -0.514 0.020 . 2 . . . . A 111 ILE HG13 . 34704 1 1009 . 1 . 1 84 84 ILE HG21 H 1 0.518 0.020 . 1 . . . . A 111 ILE HG21 . 34704 1 1010 . 1 . 1 84 84 ILE HG22 H 1 0.518 0.020 . 1 . . . . A 111 ILE HG22 . 34704 1 1011 . 1 . 1 84 84 ILE HG23 H 1 0.518 0.020 . 1 . . . . A 111 ILE HG23 . 34704 1 1012 . 1 . 1 84 84 ILE HD11 H 1 -0.859 0.020 . 1 . . . . A 111 ILE HD11 . 34704 1 1013 . 1 . 1 84 84 ILE HD12 H 1 -0.859 0.020 . 1 . . . . A 111 ILE HD12 . 34704 1 1014 . 1 . 1 84 84 ILE HD13 H 1 -0.859 0.020 . 1 . . . . A 111 ILE HD13 . 34704 1 1015 . 1 . 1 84 84 ILE CA C 13 60.917 0.3 . 1 . . . . A 111 ILE CA . 34704 1 1016 . 1 . 1 84 84 ILE CB C 13 40.393 0.3 . 1 . . . . A 111 ILE CB . 34704 1 1017 . 1 . 1 84 84 ILE CG1 C 13 26.130 0.3 . 1 . . . . A 111 ILE CG1 . 34704 1 1018 . 1 . 1 84 84 ILE CG2 C 13 17.057 0.3 . 1 . . . . A 111 ILE CG2 . 34704 1 1019 . 1 . 1 84 84 ILE CD1 C 13 13.319 0.3 . 1 . . . . A 111 ILE CD1 . 34704 1 1020 . 1 . 1 84 84 ILE N N 15 126.152 0.3 . 1 . . . . A 111 ILE N . 34704 1 1021 . 1 . 1 85 85 ILE H H 1 9.061 0.020 . 1 . . . . A 112 ILE H . 34704 1 1022 . 1 . 1 85 85 ILE HA H 1 4.266 0.020 . 1 . . . . A 112 ILE HA . 34704 1 1023 . 1 . 1 85 85 ILE HB H 1 1.810 0.020 . 1 . . . . A 112 ILE HB . 34704 1 1024 . 1 . 1 85 85 ILE HG12 H 1 1.599 0.020 . 2 . . . . A 112 ILE HG12 . 34704 1 1025 . 1 . 1 85 85 ILE HG13 H 1 0.960 0.020 . 2 . . . . A 112 ILE HG13 . 34704 1 1026 . 1 . 1 85 85 ILE HG21 H 1 0.808 0.020 . 1 . . . . A 112 ILE HG21 . 34704 1 1027 . 1 . 1 85 85 ILE HG22 H 1 0.808 0.020 . 1 . . . . A 112 ILE HG22 . 34704 1 1028 . 1 . 1 85 85 ILE HG23 H 1 0.808 0.020 . 1 . . . . A 112 ILE HG23 . 34704 1 1029 . 1 . 1 85 85 ILE HD11 H 1 0.955 0.020 . 1 . . . . A 112 ILE HD11 . 34704 1 1030 . 1 . 1 85 85 ILE HD12 H 1 0.955 0.020 . 1 . . . . A 112 ILE HD12 . 34704 1 1031 . 1 . 1 85 85 ILE HD13 H 1 0.955 0.020 . 1 . . . . A 112 ILE HD13 . 34704 1 1032 . 1 . 1 85 85 ILE CA C 13 61.729 0.3 . 1 . . . . A 112 ILE CA . 34704 1 1033 . 1 . 1 85 85 ILE CB C 13 38.202 0.3 . 1 . . . . A 112 ILE CB . 34704 1 1034 . 1 . 1 85 85 ILE CG1 C 13 27.603 0.3 . 1 . . . . A 112 ILE CG1 . 34704 1 1035 . 1 . 1 85 85 ILE CG2 C 13 17.376 0.3 . 1 . . . . A 112 ILE CG2 . 34704 1 1036 . 1 . 1 85 85 ILE CD1 C 13 13.532 0.3 . 1 . . . . A 112 ILE CD1 . 34704 1 1037 . 1 . 1 85 85 ILE N N 15 126.898 0.3 . 1 . . . . A 112 ILE N . 34704 1 1038 . 1 . 1 86 86 ILE H H 1 9.101 0.020 . 1 . . . . A 113 ILE H . 34704 1 1039 . 1 . 1 86 86 ILE HA H 1 4.427 0.020 . 1 . . . . A 113 ILE HA . 34704 1 1040 . 1 . 1 86 86 ILE HB H 1 1.821 0.020 . 1 . . . . A 113 ILE HB . 34704 1 1041 . 1 . 1 86 86 ILE HG12 H 1 1.439 0.020 . 2 . . . . A 113 ILE HG12 . 34704 1 1042 . 1 . 1 86 86 ILE HG13 H 1 1.259 0.020 . 2 . . . . A 113 ILE HG13 . 34704 1 1043 . 1 . 1 86 86 ILE HG21 H 1 0.729 0.020 . 1 . . . . A 113 ILE HG21 . 34704 1 1044 . 1 . 1 86 86 ILE HG22 H 1 0.729 0.020 . 1 . . . . A 113 ILE HG22 . 34704 1 1045 . 1 . 1 86 86 ILE HG23 H 1 0.729 0.020 . 1 . . . . A 113 ILE HG23 . 34704 1 1046 . 1 . 1 86 86 ILE HD11 H 1 0.730 0.020 . 1 . . . . A 113 ILE HD11 . 34704 1 1047 . 1 . 1 86 86 ILE HD12 H 1 0.730 0.020 . 1 . . . . A 113 ILE HD12 . 34704 1 1048 . 1 . 1 86 86 ILE HD13 H 1 0.730 0.020 . 1 . . . . A 113 ILE HD13 . 34704 1 1049 . 1 . 1 86 86 ILE CA C 13 58.289 0.3 . 1 . . . . A 113 ILE CA . 34704 1 1050 . 1 . 1 86 86 ILE CB C 13 36.976 0.3 . 1 . . . . A 113 ILE CB . 34704 1 1051 . 1 . 1 86 86 ILE CG1 C 13 26.102 0.3 . 1 . . . . A 113 ILE CG1 . 34704 1 1052 . 1 . 1 86 86 ILE CG2 C 13 17.245 0.3 . 1 . . . . A 113 ILE CG2 . 34704 1 1053 . 1 . 1 86 86 ILE CD1 C 13 10.989 0.3 . 1 . . . . A 113 ILE CD1 . 34704 1 1054 . 1 . 1 86 86 ILE N N 15 130.514 0.3 . 1 . . . . A 113 ILE N . 34704 1 1055 . 1 . 1 87 87 SER H H 1 8.545 0.020 . 1 . . . . A 114 SER H . 34704 1 1056 . 1 . 1 87 87 SER HA H 1 4.268 0.020 . 1 . . . . A 114 SER HA . 34704 1 1057 . 1 . 1 87 87 SER HB2 H 1 3.853 0.020 . 2 . . . . A 114 SER HB2 . 34704 1 1058 . 1 . 1 87 87 SER HB3 H 1 3.764 0.020 . 2 . . . . A 114 SER HB3 . 34704 1 1059 . 1 . 1 87 87 SER CA C 13 57.625 0.3 . 1 . . . . A 114 SER CA . 34704 1 1060 . 1 . 1 87 87 SER CB C 13 64.370 0.3 . 1 . . . . A 114 SER CB . 34704 1 1061 . 1 . 1 87 87 SER N N 15 118.720 0.3 . 1 . . . . A 114 SER N . 34704 1 1062 . 1 . 1 88 88 ASN H H 1 8.323 0.020 . 1 . . . . A 115 ASN H . 34704 1 1063 . 1 . 1 88 88 ASN HA H 1 4.178 0.020 . 1 . . . . A 115 ASN HA . 34704 1 1064 . 1 . 1 88 88 ASN HB2 H 1 2.696 0.020 . 2 . . . . A 115 ASN HB2 . 34704 1 1065 . 1 . 1 88 88 ASN HB3 H 1 2.200 0.020 . 2 . . . . A 115 ASN HB3 . 34704 1 1066 . 1 . 1 88 88 ASN HD21 H 1 7.564 0.020 . 1 . . . . A 115 ASN HD21 . 34704 1 1067 . 1 . 1 88 88 ASN HD22 H 1 6.882 0.020 . 1 . . . . A 115 ASN HD22 . 34704 1 1068 . 1 . 1 88 88 ASN CA C 13 54.115 0.3 . 1 . . . . A 115 ASN CA . 34704 1 1069 . 1 . 1 88 88 ASN CB C 13 37.755 0.3 . 1 . . . . A 115 ASN CB . 34704 1 1070 . 1 . 1 88 88 ASN N N 15 118.504 0.3 . 1 . . . . A 115 ASN N . 34704 1 1071 . 1 . 1 88 88 ASN ND2 N 15 115.679 0.3 . 1 . . . . A 115 ASN ND2 . 34704 1 1072 . 1 . 1 89 89 ILE H H 1 8.229 0.020 . 1 . . . . A 116 ILE H . 34704 1 1073 . 1 . 1 89 89 ILE HA H 1 4.347 0.020 . 1 . . . . A 116 ILE HA . 34704 1 1074 . 1 . 1 89 89 ILE HB H 1 1.809 0.020 . 1 . . . . A 116 ILE HB . 34704 1 1075 . 1 . 1 89 89 ILE HG12 H 1 1.373 0.020 . 2 . . . . A 116 ILE HG12 . 34704 1 1076 . 1 . 1 89 89 ILE HG13 H 1 1.129 0.020 . 2 . . . . A 116 ILE HG13 . 34704 1 1077 . 1 . 1 89 89 ILE HG21 H 1 0.906 0.020 . 1 . . . . A 116 ILE HG21 . 34704 1 1078 . 1 . 1 89 89 ILE HG22 H 1 0.906 0.020 . 1 . . . . A 116 ILE HG22 . 34704 1 1079 . 1 . 1 89 89 ILE HG23 H 1 0.906 0.020 . 1 . . . . A 116 ILE HG23 . 34704 1 1080 . 1 . 1 89 89 ILE HD11 H 1 0.792 0.020 . 1 . . . . A 116 ILE HD11 . 34704 1 1081 . 1 . 1 89 89 ILE HD12 H 1 0.792 0.020 . 1 . . . . A 116 ILE HD12 . 34704 1 1082 . 1 . 1 89 89 ILE HD13 H 1 0.792 0.020 . 1 . . . . A 116 ILE HD13 . 34704 1 1083 . 1 . 1 89 89 ILE CA C 13 57.790 0.3 . 1 . . . . A 116 ILE CA . 34704 1 1084 . 1 . 1 89 89 ILE CB C 13 37.599 0.3 . 1 . . . . A 116 ILE CB . 34704 1 1085 . 1 . 1 89 89 ILE CG1 C 13 26.649 0.3 . 1 . . . . A 116 ILE CG1 . 34704 1 1086 . 1 . 1 89 89 ILE CG2 C 13 16.992 0.3 . 1 . . . . A 116 ILE CG2 . 34704 1 1087 . 1 . 1 89 89 ILE CD1 C 13 11.541 0.3 . 1 . . . . A 116 ILE CD1 . 34704 1 1088 . 1 . 1 89 89 ILE N N 15 123.514 0.3 . 1 . . . . A 116 ILE N . 34704 1 1089 . 1 . 1 90 90 PRO HA H 1 4.172 0.020 . 1 . . . . A 117 PRO HA . 34704 1 1090 . 1 . 1 90 90 PRO HB2 H 1 2.301 0.020 . 2 . . . . A 117 PRO HB2 . 34704 1 1091 . 1 . 1 90 90 PRO HB3 H 1 1.925 0.020 . 2 . . . . A 117 PRO HB3 . 34704 1 1092 . 1 . 1 90 90 PRO HG2 H 1 2.108 0.020 . 2 . . . . A 117 PRO HG2 . 34704 1 1093 . 1 . 1 90 90 PRO HG3 H 1 1.929 0.020 . 2 . . . . A 117 PRO HG3 . 34704 1 1094 . 1 . 1 90 90 PRO HD2 H 1 4.083 0.020 . 2 . . . . A 117 PRO HD2 . 34704 1 1095 . 1 . 1 90 90 PRO HD3 H 1 3.744 0.020 . 2 . . . . A 117 PRO HD3 . 34704 1 1096 . 1 . 1 90 90 PRO CA C 13 64.692 0.3 . 1 . . . . A 117 PRO CA . 34704 1 1097 . 1 . 1 90 90 PRO CB C 13 31.990 0.3 . 1 . . . . A 117 PRO CB . 34704 1 1098 . 1 . 1 90 90 PRO CG C 13 27.485 0.3 . 1 . . . . A 117 PRO CG . 34704 1 1099 . 1 . 1 90 90 PRO CD C 13 51.212 0.3 . 1 . . . . A 117 PRO CD . 34704 1 1100 . 1 . 1 91 91 ASN H H 1 8.354 0.020 . 1 . . . . A 118 ASN H . 34704 1 1101 . 1 . 1 91 91 ASN HA H 1 4.564 0.020 . 1 . . . . A 118 ASN HA . 34704 1 1102 . 1 . 1 91 91 ASN HB2 H 1 2.976 0.020 . 2 . . . . A 118 ASN HB2 . 34704 1 1103 . 1 . 1 91 91 ASN HB3 H 1 2.893 0.020 . 2 . . . . A 118 ASN HB3 . 34704 1 1104 . 1 . 1 91 91 ASN HD21 H 1 7.588 0.020 . 1 . . . . A 118 ASN HD21 . 34704 1 1105 . 1 . 1 91 91 ASN HD22 H 1 6.901 0.020 . 1 . . . . A 118 ASN HD22 . 34704 1 1106 . 1 . 1 91 91 ASN CA C 13 53.636 0.3 . 1 . . . . A 118 ASN CA . 34704 1 1107 . 1 . 1 91 91 ASN CB C 13 37.662 0.3 . 1 . . . . A 118 ASN CB . 34704 1 1108 . 1 . 1 91 91 ASN N N 15 113.793 0.3 . 1 . . . . A 118 ASN N . 34704 1 1109 . 1 . 1 91 91 ASN ND2 N 15 112.719 0.3 . 1 . . . . A 118 ASN ND2 . 34704 1 1110 . 1 . 1 92 92 ARG H H 1 7.557 0.020 . 1 . . . . A 119 ARG H . 34704 1 1111 . 1 . 1 92 92 ARG HA H 1 4.521 0.020 . 1 . . . . A 119 ARG HA . 34704 1 1112 . 1 . 1 92 92 ARG HB2 H 1 1.847 0.020 . 2 . . . . A 119 ARG HB2 . 34704 1 1113 . 1 . 1 92 92 ARG HB3 H 1 1.598 0.020 . 2 . . . . A 119 ARG HB3 . 34704 1 1114 . 1 . 1 92 92 ARG HG2 H 1 1.619 0.020 . 2 . . . . A 119 ARG HG2 . 34704 1 1115 . 1 . 1 92 92 ARG HG3 H 1 1.588 0.020 . 2 . . . . A 119 ARG HG3 . 34704 1 1116 . 1 . 1 92 92 ARG HD2 H 1 3.241 0.020 . 2 . . . . A 119 ARG HD2 . 34704 1 1117 . 1 . 1 92 92 ARG HD3 H 1 3.188 0.020 . 2 . . . . A 119 ARG HD3 . 34704 1 1118 . 1 . 1 92 92 ARG CA C 13 54.917 0.3 . 1 . . . . A 119 ARG CA . 34704 1 1119 . 1 . 1 92 92 ARG CB C 13 31.106 0.3 . 1 . . . . A 119 ARG CB . 34704 1 1120 . 1 . 1 92 92 ARG CG C 13 26.826 0.3 . 1 . . . . A 119 ARG CG . 34704 1 1121 . 1 . 1 92 92 ARG CD C 13 43.150 0.3 . 1 . . . . A 119 ARG CD . 34704 1 1122 . 1 . 1 92 92 ARG N N 15 119.516 0.3 . 1 . . . . A 119 ARG N . 34704 1 1123 . 1 . 1 93 93 ALA H H 1 8.151 0.020 . 1 . . . . A 120 ALA H . 34704 1 1124 . 1 . 1 93 93 ALA HA H 1 4.316 0.020 . 1 . . . . A 120 ALA HA . 34704 1 1125 . 1 . 1 93 93 ALA HB1 H 1 1.424 0.020 . 1 . . . . A 120 ALA HB1 . 34704 1 1126 . 1 . 1 93 93 ALA HB2 H 1 1.424 0.020 . 1 . . . . A 120 ALA HB2 . 34704 1 1127 . 1 . 1 93 93 ALA HB3 H 1 1.424 0.020 . 1 . . . . A 120 ALA HB3 . 34704 1 1128 . 1 . 1 93 93 ALA CA C 13 53.048 0.3 . 1 . . . . A 120 ALA CA . 34704 1 1129 . 1 . 1 93 93 ALA CB C 13 19.519 0.3 . 1 . . . . A 120 ALA CB . 34704 1 1130 . 1 . 1 93 93 ALA N N 15 125.787 0.3 . 1 . . . . A 120 ALA N . 34704 1 1131 . 1 . 1 94 94 MET H H 1 8.276 0.020 . 1 . . . . A 121 MET H . 34704 1 1132 . 1 . 1 94 94 MET HA H 1 4.422 0.020 . 1 . . . . A 121 MET HA . 34704 1 1133 . 1 . 1 94 94 MET HB2 H 1 2.113 0.020 . 2 . . . . A 121 MET HB2 . 34704 1 1134 . 1 . 1 94 94 MET HB3 H 1 2.034 0.020 . 2 . . . . A 121 MET HB3 . 34704 1 1135 . 1 . 1 94 94 MET HG2 H 1 2.405 0.020 . 2 . . . . A 121 MET HG2 . 34704 1 1136 . 1 . 1 94 94 MET HG3 H 1 2.390 0.020 . 2 . . . . A 121 MET HG3 . 34704 1 1137 . 1 . 1 94 94 MET HE1 H 1 2.072 0.020 . 1 . . . . A 121 MET HE1 . 34704 1 1138 . 1 . 1 94 94 MET HE2 H 1 2.072 0.020 . 1 . . . . A 121 MET HE2 . 34704 1 1139 . 1 . 1 94 94 MET HE3 H 1 2.072 0.020 . 1 . . . . A 121 MET HE3 . 34704 1 1140 . 1 . 1 94 94 MET CA C 13 55.803 0.3 . 1 . . . . A 121 MET CA . 34704 1 1141 . 1 . 1 94 94 MET CB C 13 29.435 0.3 . 1 . . . . A 121 MET CB . 34704 1 1142 . 1 . 1 94 94 MET CG C 13 33.679 0.3 . 1 . . . . A 121 MET CG . 34704 1 1143 . 1 . 1 94 94 MET CE C 13 17.665 0.3 . 1 . . . . A 121 MET CE . 34704 1 1144 . 1 . 1 94 94 MET N N 15 118.156 0.3 . 1 . . . . A 121 MET N . 34704 1 1145 . 1 . 1 95 95 SER H H 1 7.838 0.020 . 1 . . . . A 122 SER H . 34704 1 1146 . 1 . 1 95 95 SER HA H 1 4.537 0.020 . 1 . . . . A 122 SER HA . 34704 1 1147 . 1 . 1 95 95 SER HB2 H 1 4.387 0.020 . 2 . . . . A 122 SER HB2 . 34704 1 1148 . 1 . 1 95 95 SER HB3 H 1 3.858 0.020 . 2 . . . . A 122 SER HB3 . 34704 1 1149 . 1 . 1 95 95 SER CA C 13 59.910 0.3 . 1 . . . . A 122 SER CA . 34704 1 1150 . 1 . 1 95 95 SER CB C 13 63.954 0.3 . 1 . . . . A 122 SER CB . 34704 1 1151 . 1 . 1 95 95 SER N N 15 116.464 0.3 . 1 . . . . A 122 SER N . 34704 1 1152 . 1 . 1 96 96 ASN H H 1 8.276 0.020 . 1 . . . . A 123 ASN H . 34704 1 1153 . 1 . 1 96 96 ASN HA H 1 4.904 0.020 . 1 . . . . A 123 ASN HA . 34704 1 1154 . 1 . 1 96 96 ASN HB2 H 1 2.935 0.020 . 2 . . . . A 123 ASN HB2 . 34704 1 1155 . 1 . 1 96 96 ASN HB3 H 1 2.653 0.020 . 2 . . . . A 123 ASN HB3 . 34704 1 1156 . 1 . 1 96 96 ASN HD21 H 1 7.618 0.020 . 1 . . . . A 123 ASN HD21 . 34704 1 1157 . 1 . 1 96 96 ASN HD22 H 1 6.925 0.020 . 1 . . . . A 123 ASN HD22 . 34704 1 1158 . 1 . 1 96 96 ASN CA C 13 52.709 0.3 . 1 . . . . A 123 ASN CA . 34704 1 1159 . 1 . 1 96 96 ASN CB C 13 40.039 0.3 . 1 . . . . A 123 ASN CB . 34704 1 1160 . 1 . 1 96 96 ASN N N 15 117.726 0.3 . 1 . . . . A 123 ASN N . 34704 1 1161 . 1 . 1 96 96 ASN ND2 N 15 113.519 0.3 . 1 . . . . A 123 ASN ND2 . 34704 1 1162 . 1 . 1 97 97 GLY H H 1 8.448 0.020 . 1 . . . . A 124 GLY H . 34704 1 1163 . 1 . 1 97 97 GLY HA2 H 1 3.844 0.020 . 2 . . . . A 124 GLY HA2 . 34704 1 1164 . 1 . 1 97 97 GLY HA3 H 1 3.613 0.020 . 2 . . . . A 124 GLY HA3 . 34704 1 1165 . 1 . 1 97 97 GLY CA C 13 46.050 0.3 . 1 . . . . A 124 GLY CA . 34704 1 1166 . 1 . 1 97 97 GLY N N 15 109.546 0.3 . 1 . . . . A 124 GLY N . 34704 1 1167 . 1 . 1 98 98 LYS H H 1 6.982 0.020 . 1 . . . . A 125 LYS H . 34704 1 1168 . 1 . 1 98 98 LYS HA H 1 5.052 0.020 . 1 . . . . A 125 LYS HA . 34704 1 1169 . 1 . 1 98 98 LYS HB2 H 1 1.541 0.020 . 2 . . . . A 125 LYS HB2 . 34704 1 1170 . 1 . 1 98 98 LYS HB3 H 1 1.331 0.020 . 2 . . . . A 125 LYS HB3 . 34704 1 1171 . 1 . 1 98 98 LYS HG2 H 1 1.220 0.020 . 2 . . . . A 125 LYS HG2 . 34704 1 1172 . 1 . 1 98 98 LYS HG3 H 1 1.058 0.020 . 2 . . . . A 125 LYS HG3 . 34704 1 1173 . 1 . 1 98 98 LYS HD2 H 1 1.436 0.020 . 2 . . . . A 125 LYS HD2 . 34704 1 1174 . 1 . 1 98 98 LYS HD3 H 1 1.403 0.020 . 2 . . . . A 125 LYS HD3 . 34704 1 1175 . 1 . 1 98 98 LYS HE2 H 1 2.757 0.020 . 2 . . . . A 125 LYS HE2 . 34704 1 1176 . 1 . 1 98 98 LYS HE3 H 1 2.772 0.020 . 2 . . . . A 125 LYS HE3 . 34704 1 1177 . 1 . 1 98 98 LYS CA C 13 53.973 0.3 . 1 . . . . A 125 LYS CA . 34704 1 1178 . 1 . 1 98 98 LYS CB C 13 35.418 0.3 . 1 . . . . A 125 LYS CB . 34704 1 1179 . 1 . 1 98 98 LYS CG C 13 23.683 0.3 . 1 . . . . A 125 LYS CG . 34704 1 1180 . 1 . 1 98 98 LYS CD C 13 29.645 0.3 . 1 . . . . A 125 LYS CD . 34704 1 1181 . 1 . 1 98 98 LYS CE C 13 42.035 0.3 . 1 . . . . A 125 LYS CE . 34704 1 1182 . 1 . 1 98 98 LYS N N 15 117.177 0.3 . 1 . . . . A 125 LYS N . 34704 1 1183 . 1 . 1 99 99 PHE H H 1 9.411 0.020 . 1 . . . . A 126 PHE H . 34704 1 1184 . 1 . 1 99 99 PHE HA H 1 5.286 0.020 . 1 . . . . A 126 PHE HA . 34704 1 1185 . 1 . 1 99 99 PHE HB2 H 1 2.845 0.020 . 2 . . . . A 126 PHE HB2 . 34704 1 1186 . 1 . 1 99 99 PHE HB3 H 1 2.671 0.020 . 2 . . . . A 126 PHE HB3 . 34704 1 1187 . 1 . 1 99 99 PHE HD1 H 1 6.903 0.020 . 1 . . . . A 126 PHE HD1 . 34704 1 1188 . 1 . 1 99 99 PHE HD2 H 1 6.903 0.020 . 1 . . . . A 126 PHE HD2 . 34704 1 1189 . 1 . 1 99 99 PHE HE1 H 1 6.466 0.020 . 1 . . . . A 126 PHE HE1 . 34704 1 1190 . 1 . 1 99 99 PHE HE2 H 1 6.466 0.020 . 1 . . . . A 126 PHE HE2 . 34704 1 1191 . 1 . 1 99 99 PHE HZ H 1 6.294 0.020 . 1 . . . . A 126 PHE HZ . 34704 1 1192 . 1 . 1 99 99 PHE CA C 13 57.740 0.3 . 1 . . . . A 126 PHE CA . 34704 1 1193 . 1 . 1 99 99 PHE CB C 13 41.217 0.3 . 1 . . . . A 126 PHE CB . 34704 1 1194 . 1 . 1 99 99 PHE CD1 C 13 131.004 0.3 . 1 . . . . A 126 PHE CD1 . 34704 1 1195 . 1 . 1 99 99 PHE CD2 C 13 131.004 0.3 . 1 . . . . A 126 PHE CD2 . 34704 1 1196 . 1 . 1 99 99 PHE CE1 C 13 130.760 0.3 . 1 . . . . A 126 PHE CE1 . 34704 1 1197 . 1 . 1 99 99 PHE CE2 C 13 130.760 0.3 . 1 . . . . A 126 PHE CE2 . 34704 1 1198 . 1 . 1 99 99 PHE CZ C 13 130.006 0.3 . 1 . . . . A 126 PHE CZ . 34704 1 1199 . 1 . 1 99 99 PHE N N 15 119.533 0.3 . 1 . . . . A 126 PHE N . 34704 1 1200 . 1 . 1 100 100 ILE H H 1 9.164 0.020 . 1 . . . . A 127 ILE H . 34704 1 1201 . 1 . 1 100 100 ILE HA H 1 4.619 0.020 . 1 . . . . A 127 ILE HA . 34704 1 1202 . 1 . 1 100 100 ILE HB H 1 1.805 0.020 . 1 . . . . A 127 ILE HB . 34704 1 1203 . 1 . 1 100 100 ILE HG12 H 1 1.380 0.020 . 2 . . . . A 127 ILE HG12 . 34704 1 1204 . 1 . 1 100 100 ILE HG13 H 1 1.079 0.020 . 2 . . . . A 127 ILE HG13 . 34704 1 1205 . 1 . 1 100 100 ILE HG21 H 1 0.851 0.020 . 1 . . . . A 127 ILE HG21 . 34704 1 1206 . 1 . 1 100 100 ILE HG22 H 1 0.851 0.020 . 1 . . . . A 127 ILE HG22 . 34704 1 1207 . 1 . 1 100 100 ILE HG23 H 1 0.851 0.020 . 1 . . . . A 127 ILE HG23 . 34704 1 1208 . 1 . 1 100 100 ILE HD11 H 1 0.764 0.020 . 1 . . . . A 127 ILE HD11 . 34704 1 1209 . 1 . 1 100 100 ILE HD12 H 1 0.764 0.020 . 1 . . . . A 127 ILE HD12 . 34704 1 1210 . 1 . 1 100 100 ILE HD13 H 1 0.764 0.020 . 1 . . . . A 127 ILE HD13 . 34704 1 1211 . 1 . 1 100 100 ILE CA C 13 60.492 0.3 . 1 . . . . A 127 ILE CA . 34704 1 1212 . 1 . 1 100 100 ILE CB C 13 39.418 0.3 . 1 . . . . A 127 ILE CB . 34704 1 1213 . 1 . 1 100 100 ILE CG1 C 13 27.547 0.3 . 1 . . . . A 127 ILE CG1 . 34704 1 1214 . 1 . 1 100 100 ILE CG2 C 13 18.382 0.3 . 1 . . . . A 127 ILE CG2 . 34704 1 1215 . 1 . 1 100 100 ILE CD1 C 13 13.929 0.3 . 1 . . . . A 127 ILE CD1 . 34704 1 1216 . 1 . 1 100 100 ILE N N 15 121.308 0.3 . 1 . . . . A 127 ILE N . 34704 1 1217 . 1 . 1 101 101 LEU H H 1 9.601 0.020 . 1 . . . . A 128 LEU H . 34704 1 1218 . 1 . 1 101 101 LEU HA H 1 5.548 0.020 . 1 . . . . A 128 LEU HA . 34704 1 1219 . 1 . 1 101 101 LEU HB2 H 1 1.784 0.020 . 2 . . . . A 128 LEU HB2 . 34704 1 1220 . 1 . 1 101 101 LEU HB3 H 1 1.695 0.020 . 2 . . . . A 128 LEU HB3 . 34704 1 1221 . 1 . 1 101 101 LEU HG H 1 1.569 0.020 . 1 . . . . A 128 LEU HG . 34704 1 1222 . 1 . 1 101 101 LEU HD11 H 1 0.534 0.020 . 2 . . . . A 128 LEU HD11 . 34704 1 1223 . 1 . 1 101 101 LEU HD12 H 1 0.534 0.020 . 2 . . . . A 128 LEU HD12 . 34704 1 1224 . 1 . 1 101 101 LEU HD13 H 1 0.534 0.020 . 2 . . . . A 128 LEU HD13 . 34704 1 1225 . 1 . 1 101 101 LEU HD21 H 1 0.258 0.020 . 2 . . . . A 128 LEU HD21 . 34704 1 1226 . 1 . 1 101 101 LEU HD22 H 1 0.258 0.020 . 2 . . . . A 128 LEU HD22 . 34704 1 1227 . 1 . 1 101 101 LEU HD23 H 1 0.258 0.020 . 2 . . . . A 128 LEU HD23 . 34704 1 1228 . 1 . 1 101 101 LEU CA C 13 54.422 0.3 . 1 . . . . A 128 LEU CA . 34704 1 1229 . 1 . 1 101 101 LEU CB C 13 42.068 0.3 . 1 . . . . A 128 LEU CB . 34704 1 1230 . 1 . 1 101 101 LEU CG C 13 29.505 0.3 . 1 . . . . A 128 LEU CG . 34704 1 1231 . 1 . 1 101 101 LEU CD1 C 13 24.476 0.3 . 1 . . . . A 128 LEU CD1 . 34704 1 1232 . 1 . 1 101 101 LEU CD2 C 13 26.570 0.3 . 1 . . . . A 128 LEU CD2 . 34704 1 1233 . 1 . 1 101 101 LEU N N 15 131.725 0.3 . 1 . . . . A 128 LEU N . 34704 1 1234 . 1 . 1 102 102 ASN H H 1 9.262 0.020 . 1 . . . . A 129 ASN H . 34704 1 1235 . 1 . 1 102 102 ASN HA H 1 5.795 0.020 . 1 . . . . A 129 ASN HA . 34704 1 1236 . 1 . 1 102 102 ASN HB2 H 1 2.648 0.020 . 2 . . . . A 129 ASN HB2 . 34704 1 1237 . 1 . 1 102 102 ASN HB3 H 1 2.621 0.020 . 2 . . . . A 129 ASN HB3 . 34704 1 1238 . 1 . 1 102 102 ASN HD21 H 1 7.265 0.020 . 1 . . . . A 129 ASN HD21 . 34704 1 1239 . 1 . 1 102 102 ASN HD22 H 1 6.843 0.020 . 1 . . . . A 129 ASN HD22 . 34704 1 1240 . 1 . 1 102 102 ASN CA C 13 51.891 0.3 . 1 . . . . A 129 ASN CA . 34704 1 1241 . 1 . 1 102 102 ASN CB C 13 42.701 0.3 . 1 . . . . A 129 ASN CB . 34704 1 1242 . 1 . 1 102 102 ASN N N 15 120.322 0.3 . 1 . . . . A 129 ASN N . 34704 1 1243 . 1 . 1 102 102 ASN ND2 N 15 112.271 0.3 . 1 . . . . A 129 ASN ND2 . 34704 1 1244 . 1 . 1 103 103 ASN H H 1 8.623 0.020 . 1 . . . . A 130 ASN H . 34704 1 1245 . 1 . 1 103 103 ASN HA H 1 3.952 0.020 . 1 . . . . A 130 ASN HA . 34704 1 1246 . 1 . 1 103 103 ASN HB2 H 1 2.452 0.020 . 2 . . . . A 130 ASN HB2 . 34704 1 1247 . 1 . 1 103 103 ASN HB3 H 1 0.394 0.020 . 2 . . . . A 130 ASN HB3 . 34704 1 1248 . 1 . 1 103 103 ASN HD21 H 1 7.689 0.020 . 1 . . . . A 130 ASN HD21 . 34704 1 1249 . 1 . 1 103 103 ASN HD22 H 1 6.813 0.020 . 1 . . . . A 130 ASN HD22 . 34704 1 1250 . 1 . 1 103 103 ASN CA C 13 52.813 0.3 . 1 . . . . A 130 ASN CA . 34704 1 1251 . 1 . 1 103 103 ASN CB C 13 38.784 0.3 . 1 . . . . A 130 ASN CB . 34704 1 1252 . 1 . 1 103 103 ASN N N 15 126.964 0.3 . 1 . . . . A 130 ASN N . 34704 1 1253 . 1 . 1 103 103 ASN ND2 N 15 112.613 0.3 . 1 . . . . A 130 ASN ND2 . 34704 1 1254 . 1 . 1 104 104 LYS H H 1 8.598 0.020 . 1 . . . . A 131 LYS H . 34704 1 1255 . 1 . 1 104 104 LYS HA H 1 3.949 0.020 . 1 . . . . A 131 LYS HA . 34704 1 1256 . 1 . 1 104 104 LYS HB2 H 1 1.847 0.020 . 2 . . . . A 131 LYS HB2 . 34704 1 1257 . 1 . 1 104 104 LYS HB3 H 1 1.635 0.020 . 2 . . . . A 131 LYS HB3 . 34704 1 1258 . 1 . 1 104 104 LYS HG2 H 1 1.458 0.020 . 2 . . . . A 131 LYS HG2 . 34704 1 1259 . 1 . 1 104 104 LYS HG3 H 1 1.256 0.020 . 2 . . . . A 131 LYS HG3 . 34704 1 1260 . 1 . 1 104 104 LYS HD2 H 1 1.649 0.020 . 2 . . . . A 131 LYS HD2 . 34704 1 1261 . 1 . 1 104 104 LYS HD3 H 1 1.613 0.020 . 2 . . . . A 131 LYS HD3 . 34704 1 1262 . 1 . 1 104 104 LYS HE2 H 1 2.862 0.020 . 2 . . . . A 131 LYS HE2 . 34704 1 1263 . 1 . 1 104 104 LYS HE3 H 1 2.883 0.020 . 2 . . . . A 131 LYS HE3 . 34704 1 1264 . 1 . 1 104 104 LYS CA C 13 58.691 0.3 . 1 . . . . A 131 LYS CA . 34704 1 1265 . 1 . 1 104 104 LYS CB C 13 32.805 0.3 . 1 . . . . A 131 LYS CB . 34704 1 1266 . 1 . 1 104 104 LYS CG C 13 25.484 0.3 . 1 . . . . A 131 LYS CG . 34704 1 1267 . 1 . 1 104 104 LYS CD C 13 29.303 0.3 . 1 . . . . A 131 LYS CD . 34704 1 1268 . 1 . 1 104 104 LYS CE C 13 41.890 0.3 . 1 . . . . A 131 LYS CE . 34704 1 1269 . 1 . 1 104 104 LYS N N 15 126.152 0.3 . 1 . . . . A 131 LYS N . 34704 1 1270 . 1 . 1 105 105 ARG H H 1 8.420 0.020 . 1 . . . . A 132 ARG H . 34704 1 1271 . 1 . 1 105 105 ARG HA H 1 4.351 0.020 . 1 . . . . A 132 ARG HA . 34704 1 1272 . 1 . 1 105 105 ARG HB2 H 1 1.892 0.020 . 2 . . . . A 132 ARG HB2 . 34704 1 1273 . 1 . 1 105 105 ARG HB3 H 1 1.847 0.020 . 2 . . . . A 132 ARG HB3 . 34704 1 1274 . 1 . 1 105 105 ARG HG2 H 1 1.626 0.020 . 2 . . . . A 132 ARG HG2 . 34704 1 1275 . 1 . 1 105 105 ARG HG3 H 1 1.525 0.020 . 2 . . . . A 132 ARG HG3 . 34704 1 1276 . 1 . 1 105 105 ARG HD2 H 1 3.217 0.020 . 2 . . . . A 132 ARG HD2 . 34704 1 1277 . 1 . 1 105 105 ARG HD3 H 1 3.175 0.020 . 2 . . . . A 132 ARG HD3 . 34704 1 1278 . 1 . 1 105 105 ARG CA C 13 57.438 0.3 . 1 . . . . A 132 ARG CA . 34704 1 1279 . 1 . 1 105 105 ARG CB C 13 31.184 0.3 . 1 . . . . A 132 ARG CB . 34704 1 1280 . 1 . 1 105 105 ARG CG C 13 27.602 0.3 . 1 . . . . A 132 ARG CG . 34704 1 1281 . 1 . 1 105 105 ARG CD C 13 42.971 0.3 . 1 . . . . A 132 ARG CD . 34704 1 1282 . 1 . 1 105 105 ARG N N 15 117.194 0.3 . 1 . . . . A 132 ARG N . 34704 1 1283 . 1 . 1 106 106 THR H H 1 7.706 0.020 . 1 . . . . A 133 THR H . 34704 1 1284 . 1 . 1 106 106 THR HA H 1 4.339 0.020 . 1 . . . . A 133 THR HA . 34704 1 1285 . 1 . 1 106 106 THR HB H 1 4.371 0.020 . 1 . . . . A 133 THR HB . 34704 1 1286 . 1 . 1 106 106 THR HG1 H 1 6.277 0.020 . 1 . . . . A 133 THR HG1 . 34704 1 1287 . 1 . 1 106 106 THR HG21 H 1 1.032 0.020 . 1 . . . . A 133 THR HG21 . 34704 1 1288 . 1 . 1 106 106 THR HG22 H 1 1.032 0.020 . 1 . . . . A 133 THR HG22 . 34704 1 1289 . 1 . 1 106 106 THR HG23 H 1 1.032 0.020 . 1 . . . . A 133 THR HG23 . 34704 1 1290 . 1 . 1 106 106 THR CA C 13 60.974 0.3 . 1 . . . . A 133 THR CA . 34704 1 1291 . 1 . 1 106 106 THR CB C 13 70.429 0.3 . 1 . . . . A 133 THR CB . 34704 1 1292 . 1 . 1 106 106 THR CG2 C 13 20.768 0.3 . 1 . . . . A 133 THR CG2 . 34704 1 1293 . 1 . 1 106 106 THR N N 15 107.844 0.3 . 1 . . . . A 133 THR N . 34704 1 1294 . 1 . 1 107 107 ASN H H 1 8.151 0.020 . 1 . . . . A 134 ASN H . 34704 1 1295 . 1 . 1 107 107 ASN HA H 1 4.486 0.020 . 1 . . . . A 134 ASN HA . 34704 1 1296 . 1 . 1 107 107 ASN HB2 H 1 3.076 0.020 . 2 . . . . A 134 ASN HB2 . 34704 1 1297 . 1 . 1 107 107 ASN HB3 H 1 2.916 0.020 . 2 . . . . A 134 ASN HB3 . 34704 1 1298 . 1 . 1 107 107 ASN HD21 H 1 7.518 0.020 . 1 . . . . A 134 ASN HD21 . 34704 1 1299 . 1 . 1 107 107 ASN HD22 H 1 6.815 0.020 . 1 . . . . A 134 ASN HD22 . 34704 1 1300 . 1 . 1 107 107 ASN CA C 13 54.589 0.3 . 1 . . . . A 134 ASN CA . 34704 1 1301 . 1 . 1 107 107 ASN CB C 13 37.836 0.3 . 1 . . . . A 134 ASN CB . 34704 1 1302 . 1 . 1 107 107 ASN N N 15 116.298 0.3 . 1 . . . . A 134 ASN N . 34704 1 1303 . 1 . 1 107 107 ASN ND2 N 15 112.627 0.3 . 1 . . . . A 134 ASN ND2 . 34704 1 1304 . 1 . 1 108 108 GLU H H 1 7.692 0.020 . 1 . . . . A 135 GLU H . 34704 1 1305 . 1 . 1 108 108 GLU HA H 1 4.178 0.020 . 1 . . . . A 135 GLU HA . 34704 1 1306 . 1 . 1 108 108 GLU HB2 H 1 1.865 0.020 . 2 . . . . A 135 GLU HB2 . 34704 1 1307 . 1 . 1 108 108 GLU HB3 H 1 1.835 0.020 . 2 . . . . A 135 GLU HB3 . 34704 1 1308 . 1 . 1 108 108 GLU HG2 H 1 2.379 0.020 . 2 . . . . A 135 GLU HG2 . 34704 1 1309 . 1 . 1 108 108 GLU HG3 H 1 2.250 0.020 . 2 . . . . A 135 GLU HG3 . 34704 1 1310 . 1 . 1 108 108 GLU CA C 13 57.532 0.3 . 1 . . . . A 135 GLU CA . 34704 1 1311 . 1 . 1 108 108 GLU CB C 13 31.251 0.3 . 1 . . . . A 135 GLU CB . 34704 1 1312 . 1 . 1 108 108 GLU CG C 13 36.821 0.3 . 1 . . . . A 135 GLU CG . 34704 1 1313 . 1 . 1 108 108 GLU N N 15 120.445 0.3 . 1 . . . . A 135 GLU N . 34704 1 1314 . 1 . 1 109 109 LYS H H 1 8.561 0.020 . 1 . . . . A 136 LYS H . 34704 1 1315 . 1 . 1 109 109 LYS HA H 1 5.671 0.020 . 1 . . . . A 136 LYS HA . 34704 1 1316 . 1 . 1 109 109 LYS HB2 H 1 1.750 0.020 . 2 . . . . A 136 LYS HB2 . 34704 1 1317 . 1 . 1 109 109 LYS HB3 H 1 1.726 0.020 . 2 . . . . A 136 LYS HB3 . 34704 1 1318 . 1 . 1 109 109 LYS HG2 H 1 1.445 0.020 . 2 . . . . A 136 LYS HG2 . 34704 1 1319 . 1 . 1 109 109 LYS HG3 H 1 1.252 0.020 . 2 . . . . A 136 LYS HG3 . 34704 1 1320 . 1 . 1 109 109 LYS HD2 H 1 1.633 0.020 . 2 . . . . A 136 LYS HD2 . 34704 1 1321 . 1 . 1 109 109 LYS HD3 H 1 1.618 0.020 . 2 . . . . A 136 LYS HD3 . 34704 1 1322 . 1 . 1 109 109 LYS HE2 H 1 2.910 0.020 . 1 . . . . A 136 LYS HE2 . 34704 1 1323 . 1 . 1 109 109 LYS HE3 H 1 2.910 0.020 . 1 . . . . A 136 LYS HE3 . 34704 1 1324 . 1 . 1 109 109 LYS CA C 13 54.846 0.3 . 1 . . . . A 136 LYS CA . 34704 1 1325 . 1 . 1 109 109 LYS CB C 13 35.736 0.3 . 1 . . . . A 136 LYS CB . 34704 1 1326 . 1 . 1 109 109 LYS CG C 13 24.900 0.3 . 1 . . . . A 136 LYS CG . 34704 1 1327 . 1 . 1 109 109 LYS CD C 13 29.368 0.3 . 1 . . . . A 136 LYS CD . 34704 1 1328 . 1 . 1 109 109 LYS CE C 13 41.890 0.3 . 1 . . . . A 136 LYS CE . 34704 1 1329 . 1 . 1 109 109 LYS N N 15 124.808 0.3 . 1 . . . . A 136 LYS N . 34704 1 1330 . 1 . 1 110 110 VAL H H 1 9.308 0.020 . 1 . . . . A 137 VAL H . 34704 1 1331 . 1 . 1 110 110 VAL HA H 1 4.403 0.020 . 1 . . . . A 137 VAL HA . 34704 1 1332 . 1 . 1 110 110 VAL HB H 1 1.839 0.020 . 1 . . . . A 137 VAL HB . 34704 1 1333 . 1 . 1 110 110 VAL HG11 H 1 0.840 0.020 . 2 . . . . A 137 VAL HG11 . 34704 1 1334 . 1 . 1 110 110 VAL HG12 H 1 0.840 0.020 . 2 . . . . A 137 VAL HG12 . 34704 1 1335 . 1 . 1 110 110 VAL HG13 H 1 0.840 0.020 . 2 . . . . A 137 VAL HG13 . 34704 1 1336 . 1 . 1 110 110 VAL HG21 H 1 0.748 0.020 . 2 . . . . A 137 VAL HG21 . 34704 1 1337 . 1 . 1 110 110 VAL HG22 H 1 0.748 0.020 . 2 . . . . A 137 VAL HG22 . 34704 1 1338 . 1 . 1 110 110 VAL HG23 H 1 0.748 0.020 . 2 . . . . A 137 VAL HG23 . 34704 1 1339 . 1 . 1 110 110 VAL CA C 13 61.094 0.3 . 1 . . . . A 137 VAL CA . 34704 1 1340 . 1 . 1 110 110 VAL CB C 13 35.181 0.3 . 1 . . . . A 137 VAL CB . 34704 1 1341 . 1 . 1 110 110 VAL CG1 C 13 21.427 0.3 . 1 . . . . A 137 VAL CG1 . 34704 1 1342 . 1 . 1 110 110 VAL CG2 C 13 21.065 0.3 . 1 . . . . A 137 VAL CG2 . 34704 1 1343 . 1 . 1 110 110 VAL N N 15 125.621 0.3 . 1 . . . . A 137 VAL N . 34704 1 1344 . 1 . 1 111 111 VAL H H 1 8.695 0.020 . 1 . . . . A 138 VAL H . 34704 1 1345 . 1 . 1 111 111 VAL HA H 1 4.953 0.020 . 1 . . . . A 138 VAL HA . 34704 1 1346 . 1 . 1 111 111 VAL HB H 1 1.851 0.020 . 1 . . . . A 138 VAL HB . 34704 1 1347 . 1 . 1 111 111 VAL HG11 H 1 0.876 0.020 . 2 . . . . A 138 VAL HG11 . 34704 1 1348 . 1 . 1 111 111 VAL HG12 H 1 0.876 0.020 . 2 . . . . A 138 VAL HG12 . 34704 1 1349 . 1 . 1 111 111 VAL HG13 H 1 0.876 0.020 . 2 . . . . A 138 VAL HG13 . 34704 1 1350 . 1 . 1 111 111 VAL HG21 H 1 0.839 0.020 . 2 . . . . A 138 VAL HG21 . 34704 1 1351 . 1 . 1 111 111 VAL HG22 H 1 0.839 0.020 . 2 . . . . A 138 VAL HG22 . 34704 1 1352 . 1 . 1 111 111 VAL HG23 H 1 0.839 0.020 . 2 . . . . A 138 VAL HG23 . 34704 1 1353 . 1 . 1 111 111 VAL CA C 13 60.969 0.3 . 1 . . . . A 138 VAL CA . 34704 1 1354 . 1 . 1 111 111 VAL CB C 13 33.867 0.3 . 1 . . . . A 138 VAL CB . 34704 1 1355 . 1 . 1 111 111 VAL CG1 C 13 21.097 0.3 . 1 . . . . A 138 VAL CG1 . 34704 1 1356 . 1 . 1 111 111 VAL CG2 C 13 21.888 0.3 . 1 . . . . A 138 VAL CG2 . 34704 1 1357 . 1 . 1 111 111 VAL N N 15 126.035 0.3 . 1 . . . . A 138 VAL N . 34704 1 1358 . 1 . 1 112 112 VAL H H 1 9.230 0.020 . 1 . . . . A 139 VAL H . 34704 1 1359 . 1 . 1 112 112 VAL HA H 1 4.677 0.020 . 1 . . . . A 139 VAL HA . 34704 1 1360 . 1 . 1 112 112 VAL HB H 1 2.186 0.020 . 1 . . . . A 139 VAL HB . 34704 1 1361 . 1 . 1 112 112 VAL HG11 H 1 0.805 0.020 . 2 . . . . A 139 VAL HG11 . 34704 1 1362 . 1 . 1 112 112 VAL HG12 H 1 0.805 0.020 . 2 . . . . A 139 VAL HG12 . 34704 1 1363 . 1 . 1 112 112 VAL HG13 H 1 0.805 0.020 . 2 . . . . A 139 VAL HG13 . 34704 1 1364 . 1 . 1 112 112 VAL HG21 H 1 0.789 0.020 . 2 . . . . A 139 VAL HG21 . 34704 1 1365 . 1 . 1 112 112 VAL HG22 H 1 0.789 0.020 . 2 . . . . A 139 VAL HG22 . 34704 1 1366 . 1 . 1 112 112 VAL HG23 H 1 0.789 0.020 . 2 . . . . A 139 VAL HG23 . 34704 1 1367 . 1 . 1 112 112 VAL CA C 13 60.942 0.3 . 1 . . . . A 139 VAL CA . 34704 1 1368 . 1 . 1 112 112 VAL CB C 13 33.693 0.3 . 1 . . . . A 139 VAL CB . 34704 1 1369 . 1 . 1 112 112 VAL CG1 C 13 21.152 0.3 . 1 . . . . A 139 VAL CG1 . 34704 1 1370 . 1 . 1 112 112 VAL CG2 C 13 21.097 0.3 . 1 . . . . A 139 VAL CG2 . 34704 1 1371 . 1 . 1 112 112 VAL N N 15 128.643 0.3 . 1 . . . . A 139 VAL N . 34704 1 1372 . 1 . 1 113 113 THR H H 1 9.156 0.020 . 1 . . . . A 140 THR H . 34704 1 1373 . 1 . 1 113 113 THR HA H 1 4.741 0.020 . 1 . . . . A 140 THR HA . 34704 1 1374 . 1 . 1 113 113 THR HB H 1 3.949 0.020 . 1 . . . . A 140 THR HB . 34704 1 1375 . 1 . 1 113 113 THR HG21 H 1 0.990 0.020 . 1 . . . . A 140 THR HG21 . 34704 1 1376 . 1 . 1 113 113 THR HG22 H 1 0.990 0.020 . 1 . . . . A 140 THR HG22 . 34704 1 1377 . 1 . 1 113 113 THR HG23 H 1 0.990 0.020 . 1 . . . . A 140 THR HG23 . 34704 1 1378 . 1 . 1 113 113 THR CA C 13 61.936 0.3 . 1 . . . . A 140 THR CA . 34704 1 1379 . 1 . 1 113 113 THR CB C 13 69.945 0.3 . 1 . . . . A 140 THR CB . 34704 1 1380 . 1 . 1 113 113 THR CG2 C 13 21.973 0.3 . 1 . . . . A 140 THR CG2 . 34704 1 1381 . 1 . 1 113 113 THR N N 15 122.227 0.3 . 1 . . . . A 140 THR N . 34704 1 1382 . 1 . 1 114 114 LEU H H 1 8.843 0.020 . 1 . . . . A 141 LEU H . 34704 1 1383 . 1 . 1 114 114 LEU HA H 1 4.818 0.020 . 1 . . . . A 141 LEU HA . 34704 1 1384 . 1 . 1 114 114 LEU HB2 H 1 2.011 0.020 . 2 . . . . A 141 LEU HB2 . 34704 1 1385 . 1 . 1 114 114 LEU HB3 H 1 1.618 0.020 . 2 . . . . A 141 LEU HB3 . 34704 1 1386 . 1 . 1 114 114 LEU HG H 1 1.825 0.020 . 1 . . . . A 141 LEU HG . 34704 1 1387 . 1 . 1 114 114 LEU HD11 H 1 0.936 0.020 . 2 . . . . A 141 LEU HD11 . 34704 1 1388 . 1 . 1 114 114 LEU HD12 H 1 0.936 0.020 . 2 . . . . A 141 LEU HD12 . 34704 1 1389 . 1 . 1 114 114 LEU HD13 H 1 0.936 0.020 . 2 . . . . A 141 LEU HD13 . 34704 1 1390 . 1 . 1 114 114 LEU HD21 H 1 0.877 0.020 . 2 . . . . A 141 LEU HD21 . 34704 1 1391 . 1 . 1 114 114 LEU HD22 H 1 0.877 0.020 . 2 . . . . A 141 LEU HD22 . 34704 1 1392 . 1 . 1 114 114 LEU HD23 H 1 0.877 0.020 . 2 . . . . A 141 LEU HD23 . 34704 1 1393 . 1 . 1 114 114 LEU CA C 13 54.598 0.3 . 1 . . . . A 141 LEU CA . 34704 1 1394 . 1 . 1 114 114 LEU CB C 13 43.511 0.3 . 1 . . . . A 141 LEU CB . 34704 1 1395 . 1 . 1 114 114 LEU CG C 13 28.284 0.3 . 1 . . . . A 141 LEU CG . 34704 1 1396 . 1 . 1 114 114 LEU CD1 C 13 24.850 0.3 . 1 . . . . A 141 LEU CD1 . 34704 1 1397 . 1 . 1 114 114 LEU CD2 C 13 25.347 0.3 . 1 . . . . A 141 LEU CD2 . 34704 1 1398 . 1 . 1 114 114 LEU N N 15 126.700 0.3 . 1 . . . . A 141 LEU N . 34704 1 1399 . 1 . 1 115 115 ASN HA H 1 5.197 0.020 . 1 . . . . A 142 ASN HA . 34704 1 1400 . 1 . 1 115 115 ASN HB2 H 1 3.152 0.020 . 2 . . . . A 142 ASN HB2 . 34704 1 1401 . 1 . 1 115 115 ASN HB3 H 1 2.814 0.020 . 2 . . . . A 142 ASN HB3 . 34704 1 1402 . 1 . 1 115 115 ASN HD21 H 1 7.514 0.020 . 1 . . . . A 142 ASN HD21 . 34704 1 1403 . 1 . 1 115 115 ASN HD22 H 1 6.911 0.020 . 1 . . . . A 142 ASN HD22 . 34704 1 1404 . 1 . 1 115 115 ASN CA C 13 52.928 0.3 . 1 . . . . A 142 ASN CA . 34704 1 1405 . 1 . 1 115 115 ASN CB C 13 39.466 0.3 . 1 . . . . A 142 ASN CB . 34704 1 1406 . 1 . 1 115 115 ASN ND2 N 15 112.083 0.3 . 1 . . . . A 142 ASN ND2 . 34704 1 1407 . 1 . 1 116 116 ARG HA H 1 4.318 0.020 . 1 . . . . A 143 ARG HA . 34704 1 1408 . 1 . 1 116 116 ARG HB2 H 1 1.929 0.020 . 2 . . . . A 143 ARG HB2 . 34704 1 1409 . 1 . 1 116 116 ARG HB3 H 1 1.908 0.020 . 2 . . . . A 143 ARG HB3 . 34704 1 1410 . 1 . 1 116 116 ARG HG2 H 1 1.695 0.020 . 2 . . . . A 143 ARG HG2 . 34704 1 1411 . 1 . 1 116 116 ARG HG3 H 1 1.688 0.020 . 2 . . . . A 143 ARG HG3 . 34704 1 1412 . 1 . 1 116 116 ARG HD2 H 1 3.250 0.020 . 1 . . . . A 143 ARG HD2 . 34704 1 1413 . 1 . 1 116 116 ARG HD3 H 1 3.250 0.020 . 1 . . . . A 143 ARG HD3 . 34704 1 1414 . 1 . 1 116 116 ARG CA C 13 57.779 0.3 . 1 . . . . A 143 ARG CA . 34704 1 1415 . 1 . 1 116 116 ARG CB C 13 30.033 0.3 . 1 . . . . A 143 ARG CB . 34704 1 1416 . 1 . 1 116 116 ARG CG C 13 27.363 0.3 . 1 . . . . A 143 ARG CG . 34704 1 1417 . 1 . 1 116 116 ARG CD C 13 43.348 0.3 . 1 . . . . A 143 ARG CD . 34704 1 1418 . 1 . 1 117 117 LEU HA H 1 4.456 0.020 . 1 . . . . A 144 LEU HA . 34704 1 1419 . 1 . 1 117 117 LEU HB2 H 1 1.702 0.020 . 2 . . . . A 144 LEU HB2 . 34704 1 1420 . 1 . 1 117 117 LEU HB3 H 1 1.647 0.020 . 2 . . . . A 144 LEU HB3 . 34704 1 1421 . 1 . 1 117 117 LEU HG H 1 1.652 0.020 . 1 . . . . A 144 LEU HG . 34704 1 1422 . 1 . 1 117 117 LEU HD11 H 1 0.929 0.020 . 2 . . . . A 144 LEU HD11 . 34704 1 1423 . 1 . 1 117 117 LEU HD12 H 1 0.929 0.020 . 2 . . . . A 144 LEU HD12 . 34704 1 1424 . 1 . 1 117 117 LEU HD13 H 1 0.929 0.020 . 2 . . . . A 144 LEU HD13 . 34704 1 1425 . 1 . 1 117 117 LEU HD21 H 1 0.873 0.020 . 2 . . . . A 144 LEU HD21 . 34704 1 1426 . 1 . 1 117 117 LEU HD22 H 1 0.873 0.020 . 2 . . . . A 144 LEU HD22 . 34704 1 1427 . 1 . 1 117 117 LEU HD23 H 1 0.873 0.020 . 2 . . . . A 144 LEU HD23 . 34704 1 1428 . 1 . 1 117 117 LEU CA C 13 54.612 0.3 . 1 . . . . A 144 LEU CA . 34704 1 1429 . 1 . 1 117 117 LEU CB C 13 41.646 0.3 . 1 . . . . A 144 LEU CB . 34704 1 1430 . 1 . 1 117 117 LEU CG C 13 27.247 0.3 . 1 . . . . A 144 LEU CG . 34704 1 1431 . 1 . 1 117 117 LEU CD1 C 13 25.279 0.3 . 1 . . . . A 144 LEU CD1 . 34704 1 1432 . 1 . 1 117 117 LEU CD2 C 13 23.084 0.3 . 1 . . . . A 144 LEU CD2 . 34704 1 1433 . 1 . 1 118 118 GLY H H 1 8.398 0.020 . 1 . . . . A 145 GLY H . 34704 1 1434 . 1 . 1 118 118 GLY HA2 H 1 4.033 0.020 . 2 . . . . A 145 GLY HA2 . 34704 1 1435 . 1 . 1 118 118 GLY HA3 H 1 3.811 0.020 . 2 . . . . A 145 GLY HA3 . 34704 1 1436 . 1 . 1 118 118 GLY CA C 13 45.460 0.3 . 1 . . . . A 145 GLY CA . 34704 1 1437 . 1 . 1 118 118 GLY N N 15 108.103 0.3 . 1 . . . . A 145 GLY N . 34704 1 1438 . 1 . 1 119 119 ARG H H 1 7.854 0.020 . 1 . . . . A 146 ARG H . 34704 1 1439 . 1 . 1 119 119 ARG HA H 1 4.435 0.020 . 1 . . . . A 146 ARG HA . 34704 1 1440 . 1 . 1 119 119 ARG HB2 H 1 1.809 0.020 . 2 . . . . A 146 ARG HB2 . 34704 1 1441 . 1 . 1 119 119 ARG HB3 H 1 1.694 0.020 . 2 . . . . A 146 ARG HB3 . 34704 1 1442 . 1 . 1 119 119 ARG HG2 H 1 1.570 0.020 . 2 . . . . A 146 ARG HG2 . 34704 1 1443 . 1 . 1 119 119 ARG HG3 H 1 1.532 0.020 . 2 . . . . A 146 ARG HG3 . 34704 1 1444 . 1 . 1 119 119 ARG HD2 H 1 3.170 0.020 . 1 . . . . A 146 ARG HD2 . 34704 1 1445 . 1 . 1 119 119 ARG HD3 H 1 3.170 0.020 . 1 . . . . A 146 ARG HD3 . 34704 1 1446 . 1 . 1 119 119 ARG CA C 13 55.196 0.3 . 1 . . . . A 146 ARG CA . 34704 1 1447 . 1 . 1 119 119 ARG CB C 13 30.846 0.3 . 1 . . . . A 146 ARG CB . 34704 1 1448 . 1 . 1 119 119 ARG CG C 13 27.220 0.3 . 1 . . . . A 146 ARG CG . 34704 1 1449 . 1 . 1 119 119 ARG CD C 13 43.210 0.3 . 1 . . . . A 146 ARG CD . 34704 1 1450 . 1 . 1 119 119 ARG N N 15 120.014 0.3 . 1 . . . . A 146 ARG N . 34704 1 1451 . 1 . 1 120 120 VAL H H 1 8.439 0.020 . 1 . . . . A 147 VAL H . 34704 1 1452 . 1 . 1 120 120 VAL HA H 1 4.827 0.020 . 1 . . . . A 147 VAL HA . 34704 1 1453 . 1 . 1 120 120 VAL HB H 1 1.944 0.020 . 1 . . . . A 147 VAL HB . 34704 1 1454 . 1 . 1 120 120 VAL HG11 H 1 0.921 0.020 . 2 . . . . A 147 VAL HG11 . 34704 1 1455 . 1 . 1 120 120 VAL HG12 H 1 0.921 0.020 . 2 . . . . A 147 VAL HG12 . 34704 1 1456 . 1 . 1 120 120 VAL HG13 H 1 0.921 0.020 . 2 . . . . A 147 VAL HG13 . 34704 1 1457 . 1 . 1 120 120 VAL HG21 H 1 0.777 0.020 . 2 . . . . A 147 VAL HG21 . 34704 1 1458 . 1 . 1 120 120 VAL HG22 H 1 0.777 0.020 . 2 . . . . A 147 VAL HG22 . 34704 1 1459 . 1 . 1 120 120 VAL HG23 H 1 0.777 0.020 . 2 . . . . A 147 VAL HG23 . 34704 1 1460 . 1 . 1 120 120 VAL CA C 13 61.053 0.3 . 1 . . . . A 147 VAL CA . 34704 1 1461 . 1 . 1 120 120 VAL CB C 13 33.083 0.3 . 1 . . . . A 147 VAL CB . 34704 1 1462 . 1 . 1 120 120 VAL CG1 C 13 21.629 0.3 . 1 . . . . A 147 VAL CG1 . 34704 1 1463 . 1 . 1 120 120 VAL CG2 C 13 21.617 0.3 . 1 . . . . A 147 VAL CG2 . 34704 1 1464 . 1 . 1 120 120 VAL N N 15 123.613 0.3 . 1 . . . . A 147 VAL N . 34704 1 1465 . 1 . 1 121 121 ARG H H 1 8.757 0.020 . 1 . . . . A 148 ARG H . 34704 1 1466 . 1 . 1 121 121 ARG HA H 1 4.672 0.020 . 1 . . . . A 148 ARG HA . 34704 1 1467 . 1 . 1 121 121 ARG HB2 H 1 1.797 0.020 . 2 . . . . A 148 ARG HB2 . 34704 1 1468 . 1 . 1 121 121 ARG HB3 H 1 1.691 0.020 . 2 . . . . A 148 ARG HB3 . 34704 1 1469 . 1 . 1 121 121 ARG HG2 H 1 1.598 0.020 . 2 . . . . A 148 ARG HG2 . 34704 1 1470 . 1 . 1 121 121 ARG HG3 H 1 1.531 0.020 . 2 . . . . A 148 ARG HG3 . 34704 1 1471 . 1 . 1 121 121 ARG HD2 H 1 3.169 0.020 . 1 . . . . A 148 ARG HD2 . 34704 1 1472 . 1 . 1 121 121 ARG HD3 H 1 3.169 0.020 . 1 . . . . A 148 ARG HD3 . 34704 1 1473 . 1 . 1 121 121 ARG CA C 13 54.850 0.3 . 1 . . . . A 148 ARG CA . 34704 1 1474 . 1 . 1 121 121 ARG CB C 13 33.014 0.3 . 1 . . . . A 148 ARG CB . 34704 1 1475 . 1 . 1 121 121 ARG CG C 13 27.057 0.3 . 1 . . . . A 148 ARG CG . 34704 1 1476 . 1 . 1 121 121 ARG CD C 13 43.150 0.3 . 1 . . . . A 148 ARG CD . 34704 1 1477 . 1 . 1 121 121 ARG N N 15 126.898 0.3 . 1 . . . . A 148 ARG N . 34704 1 1478 . 1 . 1 122 122 VAL H H 1 8.671 0.020 . 1 . . . . A 149 VAL H . 34704 1 1479 . 1 . 1 122 122 VAL HA H 1 4.552 0.020 . 1 . . . . A 149 VAL HA . 34704 1 1480 . 1 . 1 122 122 VAL HB H 1 2.010 0.020 . 1 . . . . A 149 VAL HB . 34704 1 1481 . 1 . 1 122 122 VAL HG11 H 1 0.906 0.020 . 2 . . . . A 149 VAL HG11 . 34704 1 1482 . 1 . 1 122 122 VAL HG12 H 1 0.906 0.020 . 2 . . . . A 149 VAL HG12 . 34704 1 1483 . 1 . 1 122 122 VAL HG13 H 1 0.906 0.020 . 2 . . . . A 149 VAL HG13 . 34704 1 1484 . 1 . 1 122 122 VAL HG21 H 1 0.911 0.020 . 2 . . . . A 149 VAL HG21 . 34704 1 1485 . 1 . 1 122 122 VAL HG22 H 1 0.911 0.020 . 2 . . . . A 149 VAL HG22 . 34704 1 1486 . 1 . 1 122 122 VAL HG23 H 1 0.911 0.020 . 2 . . . . A 149 VAL HG23 . 34704 1 1487 . 1 . 1 122 122 VAL CA C 13 62.009 0.3 . 1 . . . . A 149 VAL CA . 34704 1 1488 . 1 . 1 122 122 VAL CB C 13 32.780 0.3 . 1 . . . . A 149 VAL CB . 34704 1 1489 . 1 . 1 122 122 VAL CG1 C 13 21.423 0.3 . 1 . . . . A 149 VAL CG1 . 34704 1 1490 . 1 . 1 122 122 VAL CG2 C 13 21.072 0.3 . 1 . . . . A 149 VAL CG2 . 34704 1 1491 . 1 . 1 122 122 VAL N N 15 124.543 0.3 . 1 . . . . A 149 VAL N . 34704 1 1492 . 1 . 1 123 123 GLY H H 1 8.826 0.020 . 1 . . . . A 150 GLY H . 34704 1 1493 . 1 . 1 123 123 GLY HA2 H 1 4.153 0.020 . 2 . . . . A 150 GLY HA2 . 34704 1 1494 . 1 . 1 123 123 GLY HA3 H 1 4.139 0.020 . 2 . . . . A 150 GLY HA3 . 34704 1 1495 . 1 . 1 123 123 GLY CA C 13 45.146 0.3 . 1 . . . . A 150 GLY CA . 34704 1 1496 . 1 . 1 123 123 GLY N N 15 115.203 0.3 . 1 . . . . A 150 GLY N . 34704 1 1497 . 1 . 1 124 124 GLY H H 1 8.410 0.020 . 1 . . . . A 151 GLY H . 34704 1 1498 . 1 . 1 124 124 GLY HA2 H 1 4.039 0.020 . 2 . . . . A 151 GLY HA2 . 34704 1 1499 . 1 . 1 124 124 GLY HA3 H 1 3.987 0.020 . 2 . . . . A 151 GLY HA3 . 34704 1 1500 . 1 . 1 124 124 GLY CA C 13 45.067 0.3 . 1 . . . . A 151 GLY CA . 34704 1 1501 . 1 . 1 124 124 GLY N N 15 108.871 0.3 . 1 . . . . A 151 GLY N . 34704 1 1502 . 1 . 1 125 125 ASN H H 1 7.973 0.020 . 1 . . . . A 152 ASN H . 34704 1 1503 . 1 . 1 125 125 ASN HA H 1 4.500 0.020 . 1 . . . . A 152 ASN HA . 34704 1 1504 . 1 . 1 125 125 ASN HB2 H 1 2.749 0.020 . 2 . . . . A 152 ASN HB2 . 34704 1 1505 . 1 . 1 125 125 ASN HB3 H 1 2.660 0.020 . 2 . . . . A 152 ASN HB3 . 34704 1 1506 . 1 . 1 125 125 ASN HD21 H 1 6.833 0.020 . 1 . . . . A 152 ASN HD21 . 34704 1 1507 . 1 . 1 125 125 ASN HD22 H 1 7.533 0.020 . 1 . . . . A 152 ASN HD22 . 34704 1 1508 . 1 . 1 125 125 ASN CA C 13 54.546 0.3 . 1 . . . . A 152 ASN CA . 34704 1 1509 . 1 . 1 125 125 ASN CB C 13 40.605 0.3 . 1 . . . . A 152 ASN CB . 34704 1 1510 . 1 . 1 125 125 ASN N N 15 123.215 0.3 . 1 . . . . A 152 ASN N . 34704 1 1511 . 1 . 1 125 125 ASN ND2 N 15 113.062 0.3 . 1 . . . . A 152 ASN ND2 . 34704 1 stop_ save_