data_28038 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28038 _Entry.Title ; 1H, 13C, 15N chemical shift assignments of FKBP12 protein from the pathogenic fungi Candida auris ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-05 _Entry.Accession_date 2019-11-05 _Entry.Last_release_date 2019-11-05 _Entry.Original_release_date 2019-11-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H, 13C, 15N chemical shift assignments' _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 Qamar Bashir . . . . 28038 2 David LeMaster . M. . . 28038 3 Griselda Hernandez . . . . 28038 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wadsworth Center NYSDOH' . 28038 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28038 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 491 28038 '15N chemical shifts' 107 28038 '1H chemical shifts' 756 28038 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 . . 2020-03-16 2019-11-05 update BMRB 'update entry citation' 28038 1 . . 2020-02-26 2019-11-05 original author 'original release' 28038 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28037 'FKBP12 protein from the pathogenic fungi Candida glabrata' 28038 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28038 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31950462 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15 N chemical shift assignments of the FKBP12 protein from the pathogenic fungi Candida auris and Candida glabrata ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 105 _Citation.Page_last 109 _Citation.Year 2020 _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 Qamar Bashir . . . . 28038 1 2 David LeMaster . M. . . 28038 1 3 Griselda Hernandez . . . . 28038 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Candida auris' 28038 1 'Chemical Shifts' 28038 1 FKBP12 28038 1 NMR 28038 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28038 _Assembly.ID 1 _Assembly.Name FKBP12 _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 11807.46 _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 FKBP12 1 $FKBP12 A . yes native no no . . . 28038 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP12 _Entity.Sf_category entity _Entity.Sf_framecode FKBP12 _Entity.Entry_ID 28038 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPNTTEVEIISEGDGKVFP KVGDTVTIHYTGTLENGKKF DSSRDRGKPFQCTIGVGHVI KGWDIGIPKLSVGSQAKLTI PGHEAYGSRGFPGLIPPDAT LIFDVELLGVN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11807.46 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI 498019 . FKBP12 . . . . . . . . . . . . . . 28038 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28038 1 2 . ALA . 28038 1 3 . PRO . 28038 1 4 . ASN . 28038 1 5 . THR . 28038 1 6 . THR . 28038 1 7 . GLU . 28038 1 8 . VAL . 28038 1 9 . GLU . 28038 1 10 . ILE . 28038 1 11 . ILE . 28038 1 12 . SER . 28038 1 13 . GLU . 28038 1 14 . GLY . 28038 1 15 . ASP . 28038 1 16 . GLY . 28038 1 17 . LYS . 28038 1 18 . VAL . 28038 1 19 . PHE . 28038 1 20 . PRO . 28038 1 21 . LYS . 28038 1 22 . VAL . 28038 1 23 . GLY . 28038 1 24 . ASP . 28038 1 25 . THR . 28038 1 26 . VAL . 28038 1 27 . THR . 28038 1 28 . ILE . 28038 1 29 . HIS . 28038 1 30 . TYR . 28038 1 31 . THR . 28038 1 32 . GLY . 28038 1 33 . THR . 28038 1 34 . LEU . 28038 1 35 . GLU . 28038 1 36 . ASN . 28038 1 37 . GLY . 28038 1 38 . LYS . 28038 1 39 . LYS . 28038 1 40 . PHE . 28038 1 41 . ASP . 28038 1 42 . SER . 28038 1 43 . SER . 28038 1 44 . ARG . 28038 1 45 . ASP . 28038 1 46 . ARG . 28038 1 47 . GLY . 28038 1 48 . LYS . 28038 1 49 . PRO . 28038 1 50 . PHE . 28038 1 51 . GLN . 28038 1 52 . CYS . 28038 1 53 . THR . 28038 1 54 . ILE . 28038 1 55 . GLY . 28038 1 56 . VAL . 28038 1 57 . GLY . 28038 1 58 . HIS . 28038 1 59 . VAL . 28038 1 60 . ILE . 28038 1 61 . LYS . 28038 1 62 . GLY . 28038 1 63 . TRP . 28038 1 64 . ASP . 28038 1 65 . ILE . 28038 1 66 . GLY . 28038 1 67 . ILE . 28038 1 68 . PRO . 28038 1 69 . LYS . 28038 1 70 . LEU . 28038 1 71 . SER . 28038 1 72 . VAL . 28038 1 73 . GLY . 28038 1 74 . SER . 28038 1 75 . GLN . 28038 1 76 . ALA . 28038 1 77 . LYS . 28038 1 78 . LEU . 28038 1 79 . THR . 28038 1 80 . ILE . 28038 1 81 . PRO . 28038 1 82 . GLY . 28038 1 83 . HIS . 28038 1 84 . GLU . 28038 1 85 . ALA . 28038 1 86 . TYR . 28038 1 87 . GLY . 28038 1 88 . SER . 28038 1 89 . ARG . 28038 1 90 . GLY . 28038 1 91 . PHE . 28038 1 92 . PRO . 28038 1 93 . GLY . 28038 1 94 . LEU . 28038 1 95 . ILE . 28038 1 96 . PRO . 28038 1 97 . PRO . 28038 1 98 . ASP . 28038 1 99 . ALA . 28038 1 100 . THR . 28038 1 101 . LEU . 28038 1 102 . ILE . 28038 1 103 . PHE . 28038 1 104 . ASP . 28038 1 105 . VAL . 28038 1 106 . GLU . 28038 1 107 . LEU . 28038 1 108 . LEU . 28038 1 109 . GLY . 28038 1 110 . VAL . 28038 1 111 . ASN . 28038 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 28038 1 . ALA 2 2 28038 1 . PRO 3 3 28038 1 . ASN 4 4 28038 1 . THR 5 5 28038 1 . THR 6 6 28038 1 . GLU 7 7 28038 1 . VAL 8 8 28038 1 . GLU 9 9 28038 1 . ILE 10 10 28038 1 . ILE 11 11 28038 1 . SER 12 12 28038 1 . GLU 13 13 28038 1 . GLY 14 14 28038 1 . ASP 15 15 28038 1 . GLY 16 16 28038 1 . LYS 17 17 28038 1 . VAL 18 18 28038 1 . PHE 19 19 28038 1 . PRO 20 20 28038 1 . LYS 21 21 28038 1 . VAL 22 22 28038 1 . GLY 23 23 28038 1 . ASP 24 24 28038 1 . THR 25 25 28038 1 . VAL 26 26 28038 1 . THR 27 27 28038 1 . ILE 28 28 28038 1 . HIS 29 29 28038 1 . TYR 30 30 28038 1 . THR 31 31 28038 1 . GLY 32 32 28038 1 . THR 33 33 28038 1 . LEU 34 34 28038 1 . GLU 35 35 28038 1 . ASN 36 36 28038 1 . GLY 37 37 28038 1 . LYS 38 38 28038 1 . LYS 39 39 28038 1 . PHE 40 40 28038 1 . ASP 41 41 28038 1 . SER 42 42 28038 1 . SER 43 43 28038 1 . ARG 44 44 28038 1 . ASP 45 45 28038 1 . ARG 46 46 28038 1 . GLY 47 47 28038 1 . LYS 48 48 28038 1 . PRO 49 49 28038 1 . PHE 50 50 28038 1 . GLN 51 51 28038 1 . CYS 52 52 28038 1 . THR 53 53 28038 1 . ILE 54 54 28038 1 . GLY 55 55 28038 1 . VAL 56 56 28038 1 . GLY 57 57 28038 1 . HIS 58 58 28038 1 . VAL 59 59 28038 1 . ILE 60 60 28038 1 . LYS 61 61 28038 1 . GLY 62 62 28038 1 . TRP 63 63 28038 1 . ASP 64 64 28038 1 . ILE 65 65 28038 1 . GLY 66 66 28038 1 . ILE 67 67 28038 1 . PRO 68 68 28038 1 . LYS 69 69 28038 1 . LEU 70 70 28038 1 . SER 71 71 28038 1 . VAL 72 72 28038 1 . GLY 73 73 28038 1 . SER 74 74 28038 1 . GLN 75 75 28038 1 . ALA 76 76 28038 1 . LYS 77 77 28038 1 . LEU 78 78 28038 1 . THR 79 79 28038 1 . ILE 80 80 28038 1 . PRO 81 81 28038 1 . GLY 82 82 28038 1 . HIS 83 83 28038 1 . GLU 84 84 28038 1 . ALA 85 85 28038 1 . TYR 86 86 28038 1 . GLY 87 87 28038 1 . SER 88 88 28038 1 . ARG 89 89 28038 1 . GLY 90 90 28038 1 . PHE 91 91 28038 1 . PRO 92 92 28038 1 . GLY 93 93 28038 1 . LEU 94 94 28038 1 . ILE 95 95 28038 1 . PRO 96 96 28038 1 . PRO 97 97 28038 1 . ASP 98 98 28038 1 . ALA 99 99 28038 1 . THR 100 100 28038 1 . LEU 101 101 28038 1 . ILE 102 102 28038 1 . PHE 103 103 28038 1 . ASP 104 104 28038 1 . VAL 105 105 28038 1 . GLU 106 106 28038 1 . LEU 107 107 28038 1 . LEU 108 108 28038 1 . GLY 109 109 28038 1 . VAL 110 110 28038 1 . ASN 111 111 28038 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 28038 _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 $FKBP12 . 498019 organism . 'Candida auris' 'budding yeasts' . . Eukaryota Fungi Candida auris . . . . . . . . . . . . . 28038 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 28038 _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 $FKBP12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11-a . . . 28038 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28038 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FKBP12 '[U-99% 15N]' . . 1 $FKBP12 . . 1 . . mM . . . . 28038 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28038 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 28038 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 28038 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28038 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FKBP12 '[U-99% 13C; U-99% 15N]' . . 1 $FKBP12 . . 1 . . mM . . . . 28038 2 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28038 2 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 28038 2 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 28038 2 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 28038 _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' 50 . mM 28038 1 pH 6.5 . pH 28038 1 pressure 1 . atm 28038 1 temperature 298.1 . K 28038 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 28038 _Sample_condition_list.ID 2 _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' 50 . mM 28038 2 pH 6.5 . pH 28038 2 pressure 1 . atm 28038 2 temperature 298.1 . K 28038 2 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 28038 _Software.ID 1 _Software.Type . _Software.Name Felix _Software.Version ND _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Felix NMR' . . 28038 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28038 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28038 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28038 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28038 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28038 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 28038 _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 spectrometer_1 Bruker 'Avance III' . 600 . . . 28038 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 28038 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 5 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28038 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28038 _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 TSP 'methyl protons' . . . . ppm 0 na indirect 0.2514502 . . . . . 28038 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 28038 1 N 15 TSP 'methyl protons' . . . . ppm 0 na indirect 0.10132912 . . . . . 28038 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28038 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'The error for 13C is 0.1 and for 13C(O) is 0.15' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28038 1 2 '2D 1H-1H NOESY' . . . 28038 1 3 '3D 1H-15N NOESY' . . . 28038 1 4 '3D 1H-15N TOCSY' . . . 28038 1 5 '2D DQF-COSY' . . . 28038 1 6 '2D 1H-13C HSQC aliphatic' . . . 28038 1 7 '2D 1H-13C HSQC aromatic' . . . 28038 1 8 '3D HNCO' . . . 28038 1 9 '3D HN(CA)CO' . . . 28038 1 10 '3D HNCACB' . . . 28038 1 11 '3D CBCA(CO)NH' . . . 28038 1 12 '3D HCCH-TOCSY' . . . 28038 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 MET HA H 1 3.993 0.01 . 1 . . . . . 1 MET HA . 28038 1 2 . 1 . 1 1 1 MET HB2 H 1 2.043 0.01 . . . . . . . 1 MET HB2 . 28038 1 3 . 1 . 1 1 1 MET HB3 H 1 2.043 0.01 . . . . . . . 1 MET HB3 . 28038 1 4 . 1 . 1 1 1 MET HG2 H 1 2.524 0.01 . . . . . . . 1 MET HG2 . 28038 1 5 . 1 . 1 1 1 MET HG3 H 1 2.524 0.01 . . . . . . . 1 MET HG3 . 28038 1 6 . 1 . 1 1 1 MET HE1 H 1 1.740 0.01 . 1 . . . . . 1 MET ME . 28038 1 7 . 1 . 1 1 1 MET HE2 H 1 1.740 0.01 . 1 . . . . . 1 MET ME . 28038 1 8 . 1 . 1 1 1 MET HE3 H 1 1.740 0.01 . 1 . . . . . 1 MET ME . 28038 1 9 . 1 . 1 1 1 MET C C 13 172.11 0.15 . 1 . . . . . 1 MET C . 28038 1 10 . 1 . 1 1 1 MET CA C 13 54.923 0.1 . 1 . . . . . 1 MET CA . 28038 1 11 . 1 . 1 1 1 MET CB C 13 32.983 0.1 . 1 . . . . . 1 MET CB . 28038 1 12 . 1 . 1 1 1 MET CG C 13 30.799 0.1 . 1 . . . . . 1 MET CG . 28038 1 13 . 1 . 1 1 1 MET CE C 13 16.705 0.1 . 1 . . . . . 1 MET CE . 28038 1 14 . 1 . 1 2 2 ALA H H 1 8.671 0.01 . 1 . . . . . 2 ALA H . 28038 1 15 . 1 . 1 2 2 ALA HA H 1 4.527 0.01 . 1 . . . . . 2 ALA HA . 28038 1 16 . 1 . 1 2 2 ALA HB1 H 1 1.429 0.01 . 1 . . . . . 2 ALA MB . 28038 1 17 . 1 . 1 2 2 ALA HB2 H 1 1.429 0.01 . 1 . . . . . 2 ALA MB . 28038 1 18 . 1 . 1 2 2 ALA HB3 H 1 1.429 0.01 . 1 . . . . . 2 ALA MB . 28038 1 19 . 1 . 1 2 2 ALA C C 13 174.699 0.15 . 1 . . . . . 2 ALA C . 28038 1 20 . 1 . 1 2 2 ALA CA C 13 50.484 0.1 . 1 . . . . . 2 ALA CA . 28038 1 21 . 1 . 1 2 2 ALA CB C 13 18.366 0.1 . 1 . . . . . 2 ALA CB . 28038 1 22 . 1 . 1 2 2 ALA N N 15 127.788 0.1 . 1 . . . . . 2 ALA N . 28038 1 23 . 1 . 1 3 3 PRO HA H 1 4.494 0.01 . 1 . . . . . 3 PRO HA . 28038 1 24 . 1 . 1 3 3 PRO HB2 H 1 2.287 0.01 . . . . . . . 3 PRO HB2 . 28038 1 25 . 1 . 1 3 3 PRO HB3 H 1 2.038 0.01 . . . . . . . 3 PRO HB3 . 28038 1 26 . 1 . 1 3 3 PRO HG2 H 1 1.859 0.01 . . . . . . . 3 PRO HG2 . 28038 1 27 . 1 . 1 3 3 PRO HG3 H 1 1.649 0.01 . . . . . . . 3 PRO HG3 . 28038 1 28 . 1 . 1 3 3 PRO HD2 H 1 3.314 0.01 . . . . . . . 3 PRO HD2 . 28038 1 29 . 1 . 1 3 3 PRO HD3 H 1 3.729 0.01 . . . . . . . 3 PRO HD3 . 28038 1 30 . 1 . 1 3 3 PRO C C 13 176.28 0.15 . 1 . . . . . 3 PRO C . 28038 1 31 . 1 . 1 3 3 PRO CA C 13 62.269 0.1 . 1 . . . . . 3 PRO CA . 28038 1 32 . 1 . 1 3 3 PRO CB C 13 32.08 0.1 . 1 . . . . . 3 PRO CB . 28038 1 33 . 1 . 1 3 3 PRO CG C 13 27.155 0.1 . 1 . . . . . 3 PRO CG . 28038 1 34 . 1 . 1 3 3 PRO CD C 13 49.96 0.1 . 1 . . . . . 3 PRO CD . 28038 1 35 . 1 . 1 4 4 ASN H H 1 8.758 0.01 . 1 . . . . . 4 ASN H . 28038 1 36 . 1 . 1 4 4 ASN HA H 1 4.456 0.01 . 1 . . . . . 4 ASN HA . 28038 1 37 . 1 . 1 4 4 ASN HB2 H 1 2.737 0.01 . . . . . . . 4 ASN HB2 . 28038 1 38 . 1 . 1 4 4 ASN HB3 H 1 2.737 0.01 . . . . . . . 4 ASN HB3 . 28038 1 39 . 1 . 1 4 4 ASN HD21 H 1 6.894 0.01 . . . . . . . 4 ASN HD21 . 28038 1 40 . 1 . 1 4 4 ASN HD22 H 1 7.589 0.01 . . . . . . . 4 ASN HD22 . 28038 1 41 . 1 . 1 4 4 ASN C C 13 174.612 0.15 . 1 . . . . . 4 ASN C . 28038 1 42 . 1 . 1 4 4 ASN CA C 13 55.181 0.1 . 1 . . . . . 4 ASN CA . 28038 1 43 . 1 . 1 4 4 ASN CB C 13 38.775 0.1 . 1 . . . . . 4 ASN CB . 28038 1 44 . 1 . 1 4 4 ASN CG C 13 176.294 0.1 . 1 . . . . . 4 ASN CG . 28038 1 45 . 1 . 1 4 4 ASN N N 15 118.589 0.1 . 1 . . . . . 4 ASN N . 28038 1 46 . 1 . 1 4 4 ASN ND2 N 15 113.039 0.1 . 1 . . . . . 4 ASN ND2 . 28038 1 47 . 1 . 1 5 5 THR H H 1 7.650 0.01 . 1 . . . . . 5 THR H . 28038 1 48 . 1 . 1 5 5 THR HA H 1 4.386 0.01 . 1 . . . . . 5 THR HA . 28038 1 49 . 1 . 1 5 5 THR HB H 1 4.123 0.01 . 1 . . . . . 5 THR HB . 28038 1 50 . 1 . 1 5 5 THR HG21 H 1 0.977 0.01 . 1 . . . . . 5 THR MG . 28038 1 51 . 1 . 1 5 5 THR HG22 H 1 0.977 0.01 . 1 . . . . . 5 THR MG . 28038 1 52 . 1 . 1 5 5 THR HG23 H 1 0.977 0.01 . 1 . . . . . 5 THR MG . 28038 1 53 . 1 . 1 5 5 THR C C 13 170.54 0.15 . 1 . . . . . 5 THR C . 28038 1 54 . 1 . 1 5 5 THR CA C 13 58.883 0.1 . 1 . . . . . 5 THR CA . 28038 1 55 . 1 . 1 5 5 THR CB C 13 68.924 0.1 . 1 . . . . . 5 THR CB . 28038 1 56 . 1 . 1 5 5 THR CG2 C 13 17.866 0.1 . 1 . . . . . 5 THR CG2 . 28038 1 57 . 1 . 1 5 5 THR N N 15 111.63 0.1 . 1 . . . . . 5 THR N . 28038 1 58 . 1 . 1 6 6 THR H H 1 9.478 0.01 . 1 . . . . . 6 THR H . 28038 1 59 . 1 . 1 6 6 THR HA H 1 4.470 0.01 . 1 . . . . . 6 THR HA . 28038 1 60 . 1 . 1 6 6 THR HB H 1 3.879 0.01 . 1 . . . . . 6 THR HB . 28038 1 61 . 1 . 1 6 6 THR HG21 H 1 0.990 0.01 . 1 . . . . . 6 THR MG . 28038 1 62 . 1 . 1 6 6 THR HG22 H 1 0.990 0.01 . 1 . . . . . 6 THR MG . 28038 1 63 . 1 . 1 6 6 THR HG23 H 1 0.990 0.01 . 1 . . . . . 6 THR MG . 28038 1 64 . 1 . 1 6 6 THR C C 13 173.829 0.15 . 1 . . . . . 6 THR C . 28038 1 65 . 1 . 1 6 6 THR CA C 13 66.707 0.1 . 1 . . . . . 6 THR CA . 28038 1 66 . 1 . 1 6 6 THR CB C 13 70.904 0.1 . 1 . . . . . 6 THR CB . 28038 1 67 . 1 . 1 6 6 THR CG2 C 13 19.890 0.1 . 1 . . . . . 6 THR CG2 . 28038 1 68 . 1 . 1 6 6 THR N N 15 125.457 0.1 . 1 . . . . . 6 THR N . 28038 1 69 . 1 . 1 7 7 GLU H H 1 8.637 0.01 . 1 . . . . . 7 GLU H . 28038 1 70 . 1 . 1 7 7 GLU HA H 1 4.571 0.01 . 1 . . . . . 7 GLU HA . 28038 1 71 . 1 . 1 7 7 GLU HB2 H 1 1.924 0.01 . . . . . . . 7 GLU HB2 . 28038 1 72 . 1 . 1 7 7 GLU HB3 H 1 2.016 0.01 . . . . . . . 7 GLU HB3 . 28038 1 73 . 1 . 1 7 7 GLU HG2 H 1 2.235 0.01 . . . . . . . 7 GLU HG2 . 28038 1 74 . 1 . 1 7 7 GLU HG3 H 1 2.392 0.01 . . . . . . . 7 GLU HG3 . 28038 1 75 . 1 . 1 7 7 GLU C C 13 174.945 0.15 . 1 . . . . . 7 GLU C . 28038 1 76 . 1 . 1 7 7 GLU CA C 13 54.420 0.1 . 1 . . . . . 7 GLU CA . 28038 1 77 . 1 . 1 7 7 GLU CB C 13 32.859 0.1 . 1 . . . . . 7 GLU CB . 28038 1 78 . 1 . 1 7 7 GLU CG C 13 35.986 0.1 . 1 . . . . . 7 GLU CG . 28038 1 79 . 1 . 1 7 7 GLU N N 15 128.192 0.1 . 1 . . . . . 7 GLU N . 28038 1 80 . 1 . 1 8 8 VAL H H 1 8.608 0.01 . 1 . . . . . 8 VAL H . 28038 1 81 . 1 . 1 8 8 VAL HA H 1 4.521 0.01 . 1 . . . . . 8 VAL HA . 28038 1 82 . 1 . 1 8 8 VAL HB H 1 1.922 0.01 . 1 . . . . . 8 VAL HB . 28038 1 83 . 1 . 1 8 8 VAL HG11 H 1 0.797 0.01 . . . . . . . 8 VAL MG1 . 28038 1 84 . 1 . 1 8 8 VAL HG12 H 1 0.797 0.01 . . . . . . . 8 VAL MG1 . 28038 1 85 . 1 . 1 8 8 VAL HG13 H 1 0.797 0.01 . . . . . . . 8 VAL MG1 . 28038 1 86 . 1 . 1 8 8 VAL HG21 H 1 0.628 0.01 . . . . . . . 8 VAL MG2 . 28038 1 87 . 1 . 1 8 8 VAL HG22 H 1 0.628 0.01 . . . . . . . 8 VAL MG2 . 28038 1 88 . 1 . 1 8 8 VAL HG23 H 1 0.628 0.01 . . . . . . . 8 VAL MG2 . 28038 1 89 . 1 . 1 8 8 VAL C C 13 174.698 0.15 . 1 . . . . . 8 VAL C . 28038 1 90 . 1 . 1 8 8 VAL CA C 13 61.527 0.1 . 1 . . . . . 8 VAL CA . 28038 1 91 . 1 . 1 8 8 VAL CB C 13 33.552 0.1 . 1 . . . . . 8 VAL CB . 28038 1 92 . 1 . 1 8 8 VAL CG1 C 13 21.000 0.1 . . . . . . . 8 VAL CG1 . 28038 1 93 . 1 . 1 8 8 VAL CG2 C 13 21.356 0.1 . . . . . . . 8 VAL CG2 . 28038 1 94 . 1 . 1 8 8 VAL N N 15 123.611 0.1 . 1 . . . . . 8 VAL N . 28038 1 95 . 1 . 1 9 9 GLU H H 1 9.019 0.01 . 1 . . . . . 9 GLU H . 28038 1 96 . 1 . 1 9 9 GLU HA H 1 4.618 0.01 . 1 . . . . . 9 GLU HA . 28038 1 97 . 1 . 1 9 9 GLU HB2 H 1 1.843 0.01 . . . . . . . 9 GLU HB2 . 28038 1 98 . 1 . 1 9 9 GLU HB3 H 1 2.003 0.01 . . . . . . . 9 GLU HB3 . 28038 1 99 . 1 . 1 9 9 GLU HG2 H 1 2.124 0.01 . . . . . . . 9 GLU HG2 . 28038 1 100 . 1 . 1 9 9 GLU HG3 H 1 1.923 0.01 . . . . . . . 9 GLU HG3 . 28038 1 101 . 1 . 1 9 9 GLU C C 13 175.099 0.15 . 1 . . . . . 9 GLU C . 28038 1 102 . 1 . 1 9 9 GLU CA C 13 54.260 0.1 . 1 . . . . . 9 GLU CA . 28038 1 103 . 1 . 1 9 9 GLU CB C 13 32.276 0.1 . 1 . . . . . 9 GLU CB . 28038 1 104 . 1 . 1 9 9 GLU CG C 13 35.964 0.1 . 1 . . . . . 9 GLU CG . 28038 1 105 . 1 . 1 9 9 GLU N N 15 129.431 0.1 . 1 . . . . . 9 GLU N . 28038 1 106 . 1 . 1 10 10 ILE H H 1 9.071 0.01 . 1 . . . . . 10 ILE H . 28038 1 107 . 1 . 1 10 10 ILE HA H 1 3.895 0.01 . 1 . . . . . 10 ILE HA . 28038 1 108 . 1 . 1 10 10 ILE HB H 1 1.994 0.01 . 1 . . . . . 10 ILE HB . 28038 1 109 . 1 . 1 10 10 ILE HG12 H 1 1.319 0.01 . . . . . . . 10 ILE HG12 . 28038 1 110 . 1 . 1 10 10 ILE HG13 H 1 1.496 0.01 . . . . . . . 10 ILE HG13 . 28038 1 111 . 1 . 1 10 10 ILE HG21 H 1 0.737 0.01 . 1 . . . . . 10 ILE MG . 28038 1 112 . 1 . 1 10 10 ILE HG22 H 1 0.737 0.01 . 1 . . . . . 10 ILE MG . 28038 1 113 . 1 . 1 10 10 ILE HG23 H 1 0.737 0.01 . 1 . . . . . 10 ILE MG . 28038 1 114 . 1 . 1 10 10 ILE HD11 H 1 0.713 0.01 . 1 . . . . . 10 ILE MD . 28038 1 115 . 1 . 1 10 10 ILE HD12 H 1 0.713 0.01 . 1 . . . . . 10 ILE MD . 28038 1 116 . 1 . 1 10 10 ILE HD13 H 1 0.713 0.01 . 1 . . . . . 10 ILE MD . 28038 1 117 . 1 . 1 10 10 ILE C C 13 175.75 0.15 . 1 . . . . . 10 ILE C . 28038 1 118 . 1 . 1 10 10 ILE CA C 13 61.105 0.1 . 1 . . . . . 10 ILE CA . 28038 1 119 . 1 . 1 10 10 ILE CB C 13 35.929 0.1 . 1 . . . . . 10 ILE CB . 28038 1 120 . 1 . 1 10 10 ILE CG1 C 13 27.158 0.1 . 1 . . . . . 10 ILE CG1 . 28038 1 121 . 1 . 1 10 10 ILE CG2 C 13 17.156 0.1 . 1 . . . . . 10 ILE CG2 . 28038 1 122 . 1 . 1 10 10 ILE CD1 C 13 10.584 0.1 . 1 . . . . . 10 ILE CD1 . 28038 1 123 . 1 . 1 10 10 ILE N N 15 127.536 0.1 . 1 . . . . . 10 ILE N . 28038 1 124 . 1 . 1 11 11 ILE H H 1 8.859 0.01 . 1 . . . . . 11 ILE H . 28038 1 125 . 1 . 1 11 11 ILE HA H 1 4.015 0.01 . 1 . . . . . 11 ILE HA . 28038 1 126 . 1 . 1 11 11 ILE HB H 1 1.416 0.01 . 1 . . . . . 11 ILE HB . 28038 1 127 . 1 . 1 11 11 ILE HG12 H 1 1.110 0.01 . . . . . . . 11 ILE HG12 . 28038 1 128 . 1 . 1 11 11 ILE HG13 H 1 1.393 0.01 . . . . . . . 11 ILE HG13 . 28038 1 129 . 1 . 1 11 11 ILE HG21 H 1 0.776 0.01 . 1 . . . . . 11 ILE MG . 28038 1 130 . 1 . 1 11 11 ILE HG22 H 1 0.776 0.01 . 1 . . . . . 11 ILE MG . 28038 1 131 . 1 . 1 11 11 ILE HG23 H 1 0.776 0.01 . 1 . . . . . 11 ILE MG . 28038 1 132 . 1 . 1 11 11 ILE HD11 H 1 0.640 0.01 . 1 . . . . . 11 ILE MD . 28038 1 133 . 1 . 1 11 11 ILE HD12 H 1 0.640 0.01 . 1 . . . . . 11 ILE MD . 28038 1 134 . 1 . 1 11 11 ILE HD13 H 1 0.640 0.01 . 1 . . . . . 11 ILE MD . 28038 1 135 . 1 . 1 11 11 ILE C C 13 176.373 0.15 . 1 . . . . . 11 ILE C . 28038 1 136 . 1 . 1 11 11 ILE CA C 13 62.121 0.1 . 1 . . . . . 11 ILE CA . 28038 1 137 . 1 . 1 11 11 ILE CB C 13 38.480 0.1 . 1 . . . . . 11 ILE CB . 28038 1 138 . 1 . 1 11 11 ILE CG1 C 13 27.499 0.1 . 1 . . . . . 11 ILE CG1 . 28038 1 139 . 1 . 1 11 11 ILE CG2 C 13 16.915 0.1 . 1 . . . . . 11 ILE CG2 . 28038 1 140 . 1 . 1 11 11 ILE CD1 C 13 12.093 0.1 . 1 . . . . . 11 ILE CD1 . 28038 1 141 . 1 . 1 11 11 ILE N N 15 130.861 0.1 . 1 . . . . . 11 ILE N . 28038 1 142 . 1 . 1 12 12 SER H H 1 7.986 0.01 . 1 . . . . . 12 SER H . 28038 1 143 . 1 . 1 12 12 SER HA H 1 4.578 0.01 . 1 . . . . . 12 SER HA . 28038 1 144 . 1 . 1 12 12 SER HB2 H 1 3.685 0.01 . . . . . . . 12 SER HB2 . 28038 1 145 . 1 . 1 12 12 SER HB3 H 1 3.631 0.01 . . . . . . . 12 SER HB3 . 28038 1 146 . 1 . 1 12 12 SER C C 13 173.432 0.15 . 1 . . . . . 12 SER C . 28038 1 147 . 1 . 1 12 12 SER CA C 13 57.097 0.1 . 1 . . . . . 12 SER CA . 28038 1 148 . 1 . 1 12 12 SER CB C 13 64.542 0.1 . 1 . . . . . 12 SER CB . 28038 1 149 . 1 . 1 12 12 SER N N 15 113.734 0.1 . 1 . . . . . 12 SER N . 28038 1 150 . 1 . 1 13 13 GLU H H 1 8.821 0.01 . 1 . . . . . 13 GLU H . 28038 1 151 . 1 . 1 13 13 GLU HA H 1 4.034 0.01 . 1 . . . . . 13 GLU HA . 28038 1 152 . 1 . 1 13 13 GLU HB2 H 1 1.850 0.01 . . . . . . . 13 GLU HB2 . 28038 1 153 . 1 . 1 13 13 GLU HB3 H 1 2.039 0.01 . . . . . . . 13 GLU HB3 . 28038 1 154 . 1 . 1 13 13 GLU HG2 H 1 2.295 0.01 . . . . . . . 13 GLU HG2 . 28038 1 155 . 1 . 1 13 13 GLU HG3 H 1 2.244 0.01 . . . . . . . 13 GLU HG3 . 28038 1 156 . 1 . 1 13 13 GLU C C 13 177.011 0.15 . 1 . . . . . 13 GLU C . 28038 1 157 . 1 . 1 13 13 GLU CA C 13 57.294 0.1 . 1 . . . . . 13 GLU CA . 28038 1 158 . 1 . 1 13 13 GLU CB C 13 30.804 0.1 . 1 . . . . . 13 GLU CB . 28038 1 159 . 1 . 1 13 13 GLU CG C 13 36.233 0.1 . 1 . . . . . 13 GLU CG . 28038 1 160 . 1 . 1 13 13 GLU N N 15 126.561 0.1 . 1 . . . . . 13 GLU N . 28038 1 161 . 1 . 1 14 14 GLY H H 1 7.815 0.01 . 1 . . . . . 14 GLY H . 28038 1 162 . 1 . 1 14 14 GLY HA2 H 1 3.424 0.01 . . . . . . . 14 GLY HA2 . 28038 1 163 . 1 . 1 14 14 GLY HA3 H 1 3.952 0.01 . . . . . . . 14 GLY HA3 . 28038 1 164 . 1 . 1 14 14 GLY C C 13 173.951 0.15 . 1 . . . . . 14 GLY C . 28038 1 165 . 1 . 1 14 14 GLY CA C 13 43.963 0.1 . 1 . . . . . 14 GLY CA . 28038 1 166 . 1 . 1 14 14 GLY N N 15 111.117 0.1 . 1 . . . . . 14 GLY N . 28038 1 167 . 1 . 1 15 15 ASP H H 1 8.281 0.01 . 1 . . . . . 15 ASP H . 28038 1 168 . 1 . 1 15 15 ASP HA H 1 4.124 0.01 . 1 . . . . . 15 ASP HA . 28038 1 169 . 1 . 1 15 15 ASP HB2 H 1 2.553 0.01 . . . . . . . 15 ASP HB2 . 28038 1 170 . 1 . 1 15 15 ASP HB3 H 1 2.774 0.01 . . . . . . . 15 ASP HB3 . 28038 1 171 . 1 . 1 15 15 ASP C C 13 177.903 0.15 . 1 . . . . . 15 ASP C . 28038 1 172 . 1 . 1 15 15 ASP CA C 13 54.968 0.1 . 1 . . . . . 15 ASP CA . 28038 1 173 . 1 . 1 15 15 ASP CB C 13 40.400 0.1 . 1 . . . . . 15 ASP CB . 28038 1 174 . 1 . 1 15 15 ASP N N 15 119.801 0.1 . 1 . . . . . 15 ASP N . 28038 1 175 . 1 . 1 16 16 GLY H H 1 8.471 0.01 . 1 . . . . . 16 GLY H . 28038 1 176 . 1 . 1 16 16 GLY HA2 H 1 3.506 0.01 . . . . . . . 16 GLY HA2 . 28038 1 177 . 1 . 1 16 16 GLY HA3 H 1 3.899 0.01 . . . . . . . 16 GLY HA3 . 28038 1 178 . 1 . 1 16 16 GLY C C 13 173.426 0.15 . 1 . . . . . 16 GLY C . 28038 1 179 . 1 . 1 16 16 GLY CA C 13 45.952 0.1 . 1 . . . . . 16 GLY CA . 28038 1 180 . 1 . 1 16 16 GLY N N 15 107.514 0.1 . 1 . . . . . 16 GLY N . 28038 1 181 . 1 . 1 17 17 LYS H H 1 8.918 0.01 . 1 . . . . . 17 LYS H . 28038 1 182 . 1 . 1 17 17 LYS HA H 1 4.464 0.01 . 1 . . . . . 17 LYS HA . 28038 1 183 . 1 . 1 17 17 LYS HB2 H 1 1.516 0.01 . . . . . . . 17 LYS HB2 . 28038 1 184 . 1 . 1 17 17 LYS HB3 H 1 1.680 0.01 . . . . . . . 17 LYS HB3 . 28038 1 185 . 1 . 1 17 17 LYS HG2 H 1 1.336 0.01 . . . . . . . 17 LYS HG2 . 28038 1 186 . 1 . 1 17 17 LYS HG3 H 1 1.224 0.01 . . . . . . . 17 LYS HG3 . 28038 1 187 . 1 . 1 17 17 LYS HD2 H 1 1.536 0.01 . . . . . . . 17 LYS HD2 . 28038 1 188 . 1 . 1 17 17 LYS HD3 H 1 1.584 0.01 . . . . . . . 17 LYS HD3 . 28038 1 189 . 1 . 1 17 17 LYS HE2 H 1 2.897 0.01 . . . . . . . 17 LYS HE2 . 28038 1 190 . 1 . 1 17 17 LYS HE3 H 1 2.897 0.01 . . . . . . . 17 LYS HE3 . 28038 1 191 . 1 . 1 17 17 LYS C C 13 175.94 0.15 . 1 . . . . . 17 LYS C . 28038 1 192 . 1 . 1 17 17 LYS CA C 13 57.202 0.1 . 1 . . . . . 17 LYS CA . 28038 1 193 . 1 . 1 17 17 LYS CB C 13 35.890 0.1 . 1 . . . . . 17 LYS CB . 28038 1 194 . 1 . 1 17 17 LYS CG C 13 24.704 0.1 . 1 . . . . . 17 LYS CG . 28038 1 195 . 1 . 1 17 17 LYS CD C 13 28.872 0.1 . 1 . . . . . 17 LYS CD . 28038 1 196 . 1 . 1 17 17 LYS CE C 13 42.020 0.1 . 1 . . . . . 17 LYS CE . 28038 1 197 . 1 . 1 17 17 LYS N N 15 119.97 0.1 . 1 . . . . . 17 LYS N . 28038 1 198 . 1 . 1 18 18 VAL H H 1 9.000 0.01 . 1 . . . . . 18 VAL H . 28038 1 199 . 1 . 1 18 18 VAL HA H 1 4.067 0.01 . 1 . . . . . 18 VAL HA . 28038 1 200 . 1 . 1 18 18 VAL HB H 1 1.969 0.01 . 1 . . . . . 18 VAL HB . 28038 1 201 . 1 . 1 18 18 VAL HG11 H 1 0.683 0.01 . . . . . . . 18 VAL MG1 . 28038 1 202 . 1 . 1 18 18 VAL HG12 H 1 0.683 0.01 . . . . . . . 18 VAL MG1 . 28038 1 203 . 1 . 1 18 18 VAL HG13 H 1 0.683 0.01 . . . . . . . 18 VAL MG1 . 28038 1 204 . 1 . 1 18 18 VAL HG21 H 1 0.810 0.01 . . . . . . . 18 VAL MG2 . 28038 1 205 . 1 . 1 18 18 VAL HG22 H 1 0.810 0.01 . . . . . . . 18 VAL MG2 . 28038 1 206 . 1 . 1 18 18 VAL HG23 H 1 0.810 0.01 . . . . . . . 18 VAL MG2 . 28038 1 207 . 1 . 1 18 18 VAL C C 13 173.106 0.15 . 1 . . . . . 18 VAL C . 28038 1 208 . 1 . 1 18 18 VAL CA C 13 62.916 0.1 . 1 . . . . . 18 VAL CA . 28038 1 209 . 1 . 1 18 18 VAL CB C 13 31.981 0.1 . 1 . . . . . 18 VAL CB . 28038 1 210 . 1 . 1 18 18 VAL CG1 C 13 21.184 0.1 . . . . . . . 18 VAL CG1 . 28038 1 211 . 1 . 1 18 18 VAL CG2 C 13 20.950 0.1 . . . . . . . 18 VAL CG2 . 28038 1 212 . 1 . 1 18 18 VAL N N 15 124.396 0.1 . 1 . . . . . 18 VAL N . 28038 1 213 . 1 . 1 19 19 PHE H H 1 8.141 0.01 . 1 . . . . . 19 PHE H . 28038 1 214 . 1 . 1 19 19 PHE HA H 1 5.148 0.01 . 1 . . . . . 19 PHE HA . 28038 1 215 . 1 . 1 19 19 PHE HB2 H 1 2.502 0.01 . . . . . . . 19 PHE HB2 . 28038 1 216 . 1 . 1 19 19 PHE HB3 H 1 2.982 0.01 . . . . . . . 19 PHE HB3 . 28038 1 217 . 1 . 1 19 19 PHE HD1 H 1 6.933 0.01 . . . . . . . 19 PHE HD1 . 28038 1 218 . 1 . 1 19 19 PHE HD2 H 1 6.933 0.01 . . . . . . . 19 PHE HD2 . 28038 1 219 . 1 . 1 19 19 PHE HE1 H 1 7.001 0.01 . . . . . . . 19 PHE HE1 . 28038 1 220 . 1 . 1 19 19 PHE HE2 H 1 7.001 0.01 . . . . . . . 19 PHE HE2 . 28038 1 221 . 1 . 1 19 19 PHE HZ H 1 7.081 0.01 . 1 . . . . . 19 PHE HZ . 28038 1 222 . 1 . 1 19 19 PHE C C 13 174.172 0.15 . 1 . . . . . 19 PHE C . 28038 1 223 . 1 . 1 19 19 PHE CA C 13 53.681 0.1 . 1 . . . . . 19 PHE CA . 28038 1 224 . 1 . 1 19 19 PHE CB C 13 40.103 0.1 . 1 . . . . . 19 PHE CB . 28038 1 225 . 1 . 1 19 19 PHE CD1 C 13 132.813 0.1 . . . . . . . 19 PHE CD1 . 28038 1 226 . 1 . 1 19 19 PHE CD2 C 13 132.813 0.1 . . . . . . . 19 PHE CD2 . 28038 1 227 . 1 . 1 19 19 PHE CE1 C 13 130.832 0.1 . . . . . . . 19 PHE CE1 . 28038 1 228 . 1 . 1 19 19 PHE CE2 C 13 130.832 0.1 . . . . . . . 19 PHE CE2 . 28038 1 229 . 1 . 1 19 19 PHE CZ C 13 128.790 0.1 . 1 . . . . . 19 PHE CZ . 28038 1 230 . 1 . 1 19 19 PHE N N 15 125.307 0.1 . 1 . . . . . 19 PHE N . 28038 1 231 . 1 . 1 20 20 PRO HA H 1 4.450 0.01 . 1 . . . . . 20 PRO HA . 28038 1 232 . 1 . 1 20 20 PRO HB2 H 1 1.500 0.01 . . . . . . . 20 PRO HB2 . 28038 1 233 . 1 . 1 20 20 PRO HB3 H 1 1.500 0.01 . . . . . . . 20 PRO HB3 . 28038 1 234 . 1 . 1 20 20 PRO HG2 H 1 1.590 0.01 . . . . . . . 20 PRO HG2 . 28038 1 235 . 1 . 1 20 20 PRO HG3 H 1 1.860 0.01 . . . . . . . 20 PRO HG3 . 28038 1 236 . 1 . 1 20 20 PRO HD2 H 1 3.969 0.01 . . . . . . . 20 PRO HD2 . 28038 1 237 . 1 . 1 20 20 PRO HD3 H 1 4.098 0.01 . . . . . . . 20 PRO HD3 . 28038 1 238 . 1 . 1 20 20 PRO C C 13 174.764 0.15 . 1 . . . . . 20 PRO C . 28038 1 239 . 1 . 1 20 20 PRO CA C 13 62.538 0.1 . 1 . . . . . 20 PRO CA . 28038 1 240 . 1 . 1 20 20 PRO CB C 13 32.450 0.1 . 1 . . . . . 20 PRO CB . 28038 1 241 . 1 . 1 20 20 PRO CG C 13 27.997 0.1 . 1 . . . . . 20 PRO CG . 28038 1 242 . 1 . 1 20 20 PRO CD C 13 51.334 0.1 . 1 . . . . . 20 PRO CD . 28038 1 243 . 1 . 1 21 21 LYS H H 1 9.258 0.01 . 1 . . . . . 21 LYS H . 28038 1 244 . 1 . 1 21 21 LYS HA H 1 4.488 0.01 . 1 . . . . . 21 LYS HA . 28038 1 245 . 1 . 1 21 21 LYS HB2 H 1 1.649 0.01 . . . . . . . 21 LYS HB2 . 28038 1 246 . 1 . 1 21 21 LYS HB3 H 1 1.649 0.01 . . . . . . . 21 LYS HB3 . 28038 1 247 . 1 . 1 21 21 LYS HG2 H 1 1.413 0.01 . . . . . . . 21 LYS HG2 . 28038 1 248 . 1 . 1 21 21 LYS HG3 H 1 1.335 0.01 . . . . . . . 21 LYS HG3 . 28038 1 249 . 1 . 1 21 21 LYS HD2 H 1 1.596 0.01 . . . . . . . 21 LYS HD2 . 28038 1 250 . 1 . 1 21 21 LYS HD3 H 1 1.596 0.01 . . . . . . . 21 LYS HD3 . 28038 1 251 . 1 . 1 21 21 LYS C C 13 175.556 0.15 . 1 . . . . . 21 LYS C . 28038 1 252 . 1 . 1 21 21 LYS CA C 13 53.307 0.1 . 1 . . . . . 21 LYS CA . 28038 1 253 . 1 . 1 21 21 LYS CB C 13 34.533 0.1 . 1 . . . . . 21 LYS CB . 28038 1 254 . 1 . 1 21 21 LYS CG C 13 23.888 0.1 . 1 . . . . . 21 LYS CG . 28038 1 255 . 1 . 1 21 21 LYS CD C 13 28.760 0.1 . 1 . . . . . 21 LYS CD . 28038 1 256 . 1 . 1 21 21 LYS CE C 13 42.170 0.1 . 1 . . . . . 21 LYS CE . 28038 1 257 . 1 . 1 21 21 LYS N N 15 123.621 0.1 . 1 . . . . . 21 LYS N . 28038 1 258 . 1 . 1 22 22 VAL H H 1 7.912 0.01 . 1 . . . . . 22 VAL H . 28038 1 259 . 1 . 1 22 22 VAL HA H 1 3.387 0.01 . 1 . . . . . 22 VAL HA . 28038 1 260 . 1 . 1 22 22 VAL HB H 1 1.808 0.01 . 1 . . . . . 22 VAL HB . 28038 1 261 . 1 . 1 22 22 VAL HG11 H 1 0.989 0.01 . . . . . . . 22 VAL MG1 . 28038 1 262 . 1 . 1 22 22 VAL HG12 H 1 0.989 0.01 . . . . . . . 22 VAL MG1 . 28038 1 263 . 1 . 1 22 22 VAL HG13 H 1 0.989 0.01 . . . . . . . 22 VAL MG1 . 28038 1 264 . 1 . 1 22 22 VAL HG21 H 1 0.778 0.01 . . . . . . . 22 VAL MG2 . 28038 1 265 . 1 . 1 22 22 VAL HG22 H 1 0.778 0.01 . . . . . . . 22 VAL MG2 . 28038 1 266 . 1 . 1 22 22 VAL HG23 H 1 0.778 0.01 . . . . . . . 22 VAL MG2 . 28038 1 267 . 1 . 1 22 22 VAL C C 13 177.494 0.15 . 1 . . . . . 22 VAL C . 28038 1 268 . 1 . 1 22 22 VAL CA C 13 65.564 0.1 . 1 . . . . . 22 VAL CA . 28038 1 269 . 1 . 1 22 22 VAL CB C 13 31.290 0.1 . 1 . . . . . 22 VAL CB . 28038 1 270 . 1 . 1 22 22 VAL CG1 C 13 21.977 0.1 . . . . . . . 22 VAL CG1 . 28038 1 271 . 1 . 1 22 22 VAL CG2 C 13 20.639 0.1 . . . . . . . 22 VAL CG2 . 28038 1 272 . 1 . 1 22 22 VAL N N 15 118.247 0.1 . 1 . . . . . 22 VAL N . 28038 1 273 . 1 . 1 23 23 GLY H H 1 8.923 0.01 . 1 . . . . . 23 GLY H . 28038 1 274 . 1 . 1 23 23 GLY HA2 H 1 3.184 0.01 . . . . . . . 23 GLY HA2 . 28038 1 275 . 1 . 1 23 23 GLY HA3 H 1 4.336 0.01 . . . . . . . 23 GLY HA3 . 28038 1 276 . 1 . 1 23 23 GLY C C 13 174.352 0.15 . 1 . . . . . 23 GLY C . 28038 1 277 . 1 . 1 23 23 GLY CA C 13 44.638 0.1 . 1 . . . . . 23 GLY CA . 28038 1 278 . 1 . 1 23 23 GLY N N 15 115.678 0.1 . 1 . . . . . 23 GLY N . 28038 1 279 . 1 . 1 24 24 ASP H H 1 8.347 0.01 . 1 . . . . . 24 ASP H . 28038 1 280 . 1 . 1 24 24 ASP HA H 1 4.749 0.01 . 1 . . . . . 24 ASP HA . 28038 1 281 . 1 . 1 24 24 ASP HB2 H 1 2.472 0.01 . . . . . . . 24 ASP HB2 . 28038 1 282 . 1 . 1 24 24 ASP HB3 H 1 2.717 0.01 . . . . . . . 24 ASP HB3 . 28038 1 283 . 1 . 1 24 24 ASP C C 13 176.219 0.15 . 1 . . . . . 24 ASP C . 28038 1 284 . 1 . 1 24 24 ASP CA C 13 54.958 0.1 . 1 . . . . . 24 ASP CA . 28038 1 285 . 1 . 1 24 24 ASP CB C 13 41.400 0.1 . 1 . . . . . 24 ASP CB . 28038 1 286 . 1 . 1 24 24 ASP N N 15 122.190 0.1 . 1 . . . . . 24 ASP N . 28038 1 287 . 1 . 1 25 25 THR H H 1 8.580 0.01 . 1 . . . . . 25 THR H . 28038 1 288 . 1 . 1 25 25 THR HA H 1 4.878 0.01 . 1 . . . . . 25 THR HA . 28038 1 289 . 1 . 1 25 25 THR HB H 1 3.880 0.01 . 1 . . . . . 25 THR HB . 28038 1 290 . 1 . 1 25 25 THR HG21 H 1 0.916 0.01 . 1 . . . . . 25 THR MG . 28038 1 291 . 1 . 1 25 25 THR HG22 H 1 0.916 0.01 . 1 . . . . . 25 THR MG . 28038 1 292 . 1 . 1 25 25 THR HG23 H 1 0.916 0.01 . 1 . . . . . 25 THR MG . 28038 1 293 . 1 . 1 25 25 THR C C 13 174.871 0.15 . 1 . . . . . 25 THR C . 28038 1 294 . 1 . 1 25 25 THR CA C 13 62.099 0.1 . 1 . . . . . 25 THR CA . 28038 1 295 . 1 . 1 25 25 THR CB C 13 69.731 0.1 . 1 . . . . . 25 THR CB . 28038 1 296 . 1 . 1 25 25 THR CG2 C 13 21.220 0.1 . 1 . . . . . 25 THR CG2 . 28038 1 297 . 1 . 1 25 25 THR N N 15 116.222 0.1 . 1 . . . . . 25 THR N . 28038 1 298 . 1 . 1 26 26 VAL H H 1 9.181 0.01 . 1 . . . . . 26 VAL H . 28038 1 299 . 1 . 1 26 26 VAL HA H 1 5.005 0.01 . 1 . . . . . 26 VAL HA . 28038 1 300 . 1 . 1 26 26 VAL HB H 1 1.882 0.01 . 1 . . . . . 26 VAL HB . 28038 1 301 . 1 . 1 26 26 VAL HG11 H 1 0.786 0.01 . . . . . . . 26 VAL MG1 . 28038 1 302 . 1 . 1 26 26 VAL HG12 H 1 0.786 0.01 . . . . . . . 26 VAL MG1 . 28038 1 303 . 1 . 1 26 26 VAL HG13 H 1 0.786 0.01 . . . . . . . 26 VAL MG1 . 28038 1 304 . 1 . 1 26 26 VAL HG21 H 1 0.747 0.01 . . . . . . . 26 VAL MG2 . 28038 1 305 . 1 . 1 26 26 VAL HG22 H 1 0.747 0.01 . . . . . . . 26 VAL MG2 . 28038 1 306 . 1 . 1 26 26 VAL HG23 H 1 0.747 0.01 . . . . . . . 26 VAL MG2 . 28038 1 307 . 1 . 1 26 26 VAL C C 13 173.497 0.15 . 1 . . . . . 26 VAL C . 28038 1 308 . 1 . 1 26 26 VAL CA C 13 58.559 0.1 . 1 . . . . . 26 VAL CA . 28038 1 309 . 1 . 1 26 26 VAL CB C 13 33.829 0.1 . 1 . . . . . 26 VAL CB . 28038 1 310 . 1 . 1 26 26 VAL CG1 C 13 20.078 0.1 . . . . . . . 26 VAL CG1 . 28038 1 311 . 1 . 1 26 26 VAL CG2 C 13 22.828 0.1 . . . . . . . 26 VAL CG2 . 28038 1 312 . 1 . 1 26 26 VAL N N 15 119.464 0.1 . 1 . . . . . 26 VAL N . 28038 1 313 . 1 . 1 27 27 THR H H 1 8.017 0.01 . 1 . . . . . 27 THR H . 28038 1 314 . 1 . 1 27 27 THR HA H 1 4.914 0.01 . 1 . . . . . 27 THR HA . 28038 1 315 . 1 . 1 27 27 THR HB H 1 3.537 0.01 . 1 . . . . . 27 THR HB . 28038 1 316 . 1 . 1 27 27 THR HG21 H 1 0.866 0.01 . 1 . . . . . 27 THR MG . 28038 1 317 . 1 . 1 27 27 THR HG22 H 1 0.866 0.01 . 1 . . . . . 27 THR MG . 28038 1 318 . 1 . 1 27 27 THR HG23 H 1 0.866 0.01 . 1 . . . . . 27 THR MG . 28038 1 319 . 1 . 1 27 27 THR C C 13 174.423 0.15 . 1 . . . . . 27 THR C . 28038 1 320 . 1 . 1 27 27 THR CA C 13 61.634 0.1 . 1 . . . . . 27 THR CA . 28038 1 321 . 1 . 1 27 27 THR CB C 13 69.476 0.1 . 1 . . . . . 27 THR CB . 28038 1 322 . 1 . 1 27 27 THR CG2 C 13 21.987 0.1 . 1 . . . . . 27 THR CG2 . 28038 1 323 . 1 . 1 27 27 THR N N 15 117.846 0.1 . 1 . . . . . 27 THR N . 28038 1 324 . 1 . 1 28 28 ILE H H 1 9.432 0.01 . 1 . . . . . 28 ILE H . 28038 1 325 . 1 . 1 28 28 ILE HA H 1 5.451 0.01 . 1 . . . . . 28 ILE HA . 28038 1 326 . 1 . 1 28 28 ILE HB H 1 1.694 0.01 . 1 . . . . . 28 ILE HB . 28038 1 327 . 1 . 1 28 28 ILE HG12 H 1 1.012 0.01 . . . . . . . 28 ILE HG12 . 28038 1 328 . 1 . 1 28 28 ILE HG13 H 1 1.426 0.01 . . . . . . . 28 ILE HG13 . 28038 1 329 . 1 . 1 28 28 ILE HG21 H 1 0.635 0.01 . 1 . . . . . 28 ILE MG . 28038 1 330 . 1 . 1 28 28 ILE HG22 H 1 0.635 0.01 . 1 . . . . . 28 ILE MG . 28038 1 331 . 1 . 1 28 28 ILE HG23 H 1 0.635 0.01 . 1 . . . . . 28 ILE MG . 28038 1 332 . 1 . 1 28 28 ILE HD11 H 1 -0.042 0.01 . 1 . . . . . 28 ILE MD . 28038 1 333 . 1 . 1 28 28 ILE HD12 H 1 -0.042 0.01 . 1 . . . . . 28 ILE MD . 28038 1 334 . 1 . 1 28 28 ILE HD13 H 1 -0.042 0.01 . 1 . . . . . 28 ILE MD . 28038 1 335 . 1 . 1 28 28 ILE C C 13 174.644 0.15 . 1 . . . . . 28 ILE C . 28038 1 336 . 1 . 1 28 28 ILE CA C 13 58.564 0.1 . 1 . . . . . 28 ILE CA . 28038 1 337 . 1 . 1 28 28 ILE CB C 13 42.851 0.1 . 1 . . . . . 28 ILE CB . 28038 1 338 . 1 . 1 28 28 ILE CG1 C 13 25.568 0.1 . 1 . . . . . 28 ILE CG1 . 28038 1 339 . 1 . 1 28 28 ILE CG2 C 13 17.597 0.1 . 1 . . . . . 28 ILE CG2 . 28038 1 340 . 1 . 1 28 28 ILE CD1 C 13 13.329 0.1 . 1 . . . . . 28 ILE CD1 . 28038 1 341 . 1 . 1 28 28 ILE N N 15 119.863 0.1 . 1 . . . . . 28 ILE N . 28038 1 342 . 1 . 1 29 29 HIS H H 1 8.493 0.01 . 1 . . . . . 29 HIS H . 28038 1 343 . 1 . 1 29 29 HIS HA H 1 5.677 0.01 . 1 . . . . . 29 HIS HA . 28038 1 344 . 1 . 1 29 29 HIS HB2 H 1 2.613 0.01 . . . . . . . 29 HIS HB2 . 28038 1 345 . 1 . 1 29 29 HIS HB3 H 1 2.731 0.01 . . . . . . . 29 HIS HB3 . 28038 1 346 . 1 . 1 29 29 HIS HD1 H 1 9.809 0.01 . 1 . . . . . 29 HIS HD1 . 28038 1 347 . 1 . 1 29 29 HIS HD2 H 1 6.843 0.01 . 1 . . . . . 29 HIS HD2 . 28038 1 348 . 1 . 1 29 29 HIS HE1 H 1 6.914 0.01 . 1 . . . . . 29 HIS HE1 . 28038 1 349 . 1 . 1 29 29 HIS C C 13 176.127 0.15 . 1 . . . . . 29 HIS C . 28038 1 350 . 1 . 1 29 29 HIS CA C 13 54.105 0.1 . 1 . . . . . 29 HIS CA . 28038 1 351 . 1 . 1 29 29 HIS CB C 13 35.340 0.1 . 1 . . . . . 29 HIS CB . 28038 1 352 . 1 . 1 29 29 HIS CD2 C 13 117.417 0.1 . 1 . . . . . 29 HIS CD2 . 28038 1 353 . 1 . 1 29 29 HIS CE1 C 13 136.92 0.1 . 1 . . . . . 29 HIS CE1 . 28038 1 354 . 1 . 1 29 29 HIS N N 15 119.893 0.1 . 1 . . . . . 29 HIS N . 28038 1 355 . 1 . 1 30 30 TYR H H 1 9.494 0.01 . 1 . . . . . 30 TYR H . 28038 1 356 . 1 . 1 30 30 TYR HA H 1 6.180 0.01 . 1 . . . . . 30 TYR HA . 28038 1 357 . 1 . 1 30 30 TYR HB2 H 1 2.615 0.01 . . . . . . . 30 TYR HB2 . 28038 1 358 . 1 . 1 30 30 TYR HB3 H 1 2.977 0.01 . . . . . . . 30 TYR HB3 . 28038 1 359 . 1 . 1 30 30 TYR HD1 H 1 6.806 0.01 . . . . . . . 30 TYR HD1 . 28038 1 360 . 1 . 1 30 30 TYR HD2 H 1 6.806 0.01 . . . . . . . 30 TYR HD2 . 28038 1 361 . 1 . 1 30 30 TYR HE1 H 1 6.544 0.01 . . . . . . . 30 TYR HE1 . 28038 1 362 . 1 . 1 30 30 TYR HE2 H 1 6.544 0.01 . . . . . . . 30 TYR HE2 . 28038 1 363 . 1 . 1 30 30 TYR C C 13 173.946 0.15 . 1 . . . . . 30 TYR C . 28038 1 364 . 1 . 1 30 30 TYR CA C 13 56.147 0.1 . 1 . . . . . 30 TYR CA . 28038 1 365 . 1 . 1 30 30 TYR CB C 13 43.300 0.1 . 1 . . . . . 30 TYR CB . 28038 1 366 . 1 . 1 30 30 TYR CD1 C 13 132.794 0.1 . . . . . . . 30 TYR CD1 . 28038 1 367 . 1 . 1 30 30 TYR CD2 C 13 132.794 0.1 . . . . . . . 30 TYR CD2 . 28038 1 368 . 1 . 1 30 30 TYR CE1 C 13 117.357 0.1 . . . . . . . 30 TYR CE1 . 28038 1 369 . 1 . 1 30 30 TYR CE2 C 13 117.357 0.1 . . . . . . . 30 TYR CE2 . 28038 1 370 . 1 . 1 30 30 TYR N N 15 117.285 0.1 . 1 . . . . . 30 TYR N . 28038 1 371 . 1 . 1 31 31 THR H H 1 8.708 0.01 . 1 . . . . . 31 THR H . 28038 1 372 . 1 . 1 31 31 THR HA H 1 4.500 0.01 . 1 . . . . . 31 THR HA . 28038 1 373 . 1 . 1 31 31 THR HB H 1 4.033 0.01 . 1 . . . . . 31 THR HB . 28038 1 374 . 1 . 1 31 31 THR HG21 H 1 1.120 0.01 . 1 . . . . . 31 THR MG . 28038 1 375 . 1 . 1 31 31 THR HG22 H 1 1.120 0.01 . 1 . . . . . 31 THR MG . 28038 1 376 . 1 . 1 31 31 THR HG23 H 1 1.120 0.01 . 1 . . . . . 31 THR MG . 28038 1 377 . 1 . 1 31 31 THR C C 13 172.964 0.15 . 1 . . . . . 31 THR C . 28038 1 378 . 1 . 1 31 31 THR CA C 13 63.287 0.1 . 1 . . . . . 31 THR CA . 28038 1 379 . 1 . 1 31 31 THR CB C 13 72.214 0.1 . 1 . . . . . 31 THR CB . 28038 1 380 . 1 . 1 31 31 THR CG2 C 13 22.078 0.1 . 1 . . . . . 31 THR CG2 . 28038 1 381 . 1 . 1 31 31 THR N N 15 116.567 0.1 . 1 . . . . . 31 THR N . 28038 1 382 . 1 . 1 32 32 GLY H H 1 9.328 0.01 . 1 . . . . . 32 GLY H . 28038 1 383 . 1 . 1 32 32 GLY HA2 H 1 2.185 0.01 . . . . . . . 32 GLY HA2 . 28038 1 384 . 1 . 1 32 32 GLY HA3 H 1 4.528 0.01 . . . . . . . 32 GLY HA3 . 28038 1 385 . 1 . 1 32 32 GLY C C 13 171.44 0.15 . 1 . . . . . 32 GLY C . 28038 1 386 . 1 . 1 32 32 GLY CA C 13 45.402 0.1 . 1 . . . . . 32 GLY CA . 28038 1 387 . 1 . 1 32 32 GLY N N 15 116.674 0.1 . 1 . . . . . 32 GLY N . 28038 1 388 . 1 . 1 33 33 THR H H 1 9.356 0.01 . 1 . . . . . 33 THR H . 28038 1 389 . 1 . 1 33 33 THR HA H 1 5.180 0.01 . 1 . . . . . 33 THR HA . 28038 1 390 . 1 . 1 33 33 THR HB H 1 3.857 0.01 . 1 . . . . . 33 THR HB . 28038 1 391 . 1 . 1 33 33 THR HG21 H 1 0.874 0.01 . 1 . . . . . 33 THR MG . 28038 1 392 . 1 . 1 33 33 THR HG22 H 1 0.874 0.01 . 1 . . . . . 33 THR MG . 28038 1 393 . 1 . 1 33 33 THR HG23 H 1 0.874 0.01 . 1 . . . . . 33 THR MG . 28038 1 394 . 1 . 1 33 33 THR C C 13 174.207 0.15 . 1 . . . . . 33 THR C . 28038 1 395 . 1 . 1 33 33 THR CA C 13 59.442 0.1 . 1 . . . . . 33 THR CA . 28038 1 396 . 1 . 1 33 33 THR CB C 13 72.535 0.1 . 1 . . . . . 33 THR CB . 28038 1 397 . 1 . 1 33 33 THR CG2 C 13 20.997 0.1 . 1 . . . . . 33 THR CG2 . 28038 1 398 . 1 . 1 33 33 THR N N 15 118.263 0.1 . 1 . . . . . 33 THR N . 28038 1 399 . 1 . 1 34 34 LEU H H 1 8.363 0.01 . 1 . . . . . 34 LEU H . 28038 1 400 . 1 . 1 34 34 LEU HA H 1 4.807 0.01 . 1 . . . . . 34 LEU HA . 28038 1 401 . 1 . 1 34 34 LEU HB2 H 1 2.167 0.01 . . . . . . . 34 LEU HB2 . 28038 1 402 . 1 . 1 34 34 LEU HB3 H 1 1.815 0.01 . . . . . . . 34 LEU HB3 . 28038 1 403 . 1 . 1 34 34 LEU HG H 1 1.913 0.01 . 1 . . . . . 34 LEU HG . 28038 1 404 . 1 . 1 34 34 LEU HD11 H 1 0.796 0.01 . . . . . . . 34 LEU MD1 . 28038 1 405 . 1 . 1 34 34 LEU HD12 H 1 0.796 0.01 . . . . . . . 34 LEU MD1 . 28038 1 406 . 1 . 1 34 34 LEU HD13 H 1 0.796 0.01 . . . . . . . 34 LEU MD1 . 28038 1 407 . 1 . 1 34 34 LEU HD21 H 1 1.022 0.01 . . . . . . . 34 LEU MD2 . 28038 1 408 . 1 . 1 34 34 LEU HD22 H 1 1.022 0.01 . . . . . . . 34 LEU MD2 . 28038 1 409 . 1 . 1 34 34 LEU HD23 H 1 1.022 0.01 . . . . . . . 34 LEU MD2 . 28038 1 410 . 1 . 1 34 34 LEU C C 13 179.821 0.15 . 1 . . . . . 34 LEU C . 28038 1 411 . 1 . 1 34 34 LEU CA C 13 53.776 0.1 . 1 . . . . . 34 LEU CA . 28038 1 412 . 1 . 1 34 34 LEU CB C 13 41.763 0.1 . 1 . . . . . 34 LEU CB . 28038 1 413 . 1 . 1 34 34 LEU CG C 13 27.657 0.1 . 1 . . . . . 34 LEU CG . 28038 1 414 . 1 . 1 34 34 LEU CD1 C 13 23.027 0.1 . . . . . . . 34 LEU CD1 . 28038 1 415 . 1 . 1 34 34 LEU CD2 C 13 25.582 0.1 . . . . . . . 34 LEU CD2 . 28038 1 416 . 1 . 1 34 34 LEU N N 15 119.185 0.1 . 1 . . . . . 34 LEU N . 28038 1 417 . 1 . 1 35 35 GLU H H 1 9.33 0.01 . 1 . . . . . 35 GLU H . 28038 1 418 . 1 . 1 35 35 GLU HA H 1 3.813 0.01 . 1 . . . . . 35 GLU HA . 28038 1 419 . 1 . 1 35 35 GLU HB2 H 1 2.002 0.01 . . . . . . . 35 GLU HB2 . 28038 1 420 . 1 . 1 35 35 GLU HB3 H 1 2.002 0.01 . . . . . . . 35 GLU HB3 . 28038 1 421 . 1 . 1 35 35 GLU HG2 H 1 2.138 0.01 . . . . . . . 35 GLU HG2 . 28038 1 422 . 1 . 1 35 35 GLU HG3 H 1 2.245 0.01 . . . . . . . 35 GLU HG3 . 28038 1 423 . 1 . 1 35 35 GLU C C 13 176.683 0.15 . 1 . . . . . 35 GLU C . 28038 1 424 . 1 . 1 35 35 GLU CA C 13 59.883 0.1 . 1 . . . . . 35 GLU CA . 28038 1 425 . 1 . 1 35 35 GLU CB C 13 29.87 0.1 . 1 . . . . . 35 GLU CB . 28038 1 426 . 1 . 1 35 35 GLU CG C 13 37.43 0.1 . 1 . . . . . 35 GLU CG . 28038 1 427 . 1 . 1 35 35 GLU N N 15 121.815 0.1 . 1 . . . . . 35 GLU N . 28038 1 428 . 1 . 1 36 36 ASN H H 1 7.635 0.01 . 1 . . . . . 36 ASN H . 28038 1 429 . 1 . 1 36 36 ASN HA H 1 4.447 0.01 . 1 . . . . . 36 ASN HA . 28038 1 430 . 1 . 1 36 36 ASN HB2 H 1 2.736 0.01 . . . . . . . 36 ASN HB2 . 28038 1 431 . 1 . 1 36 36 ASN HB3 H 1 3.170 0.01 . . . . . . . 36 ASN HB3 . 28038 1 432 . 1 . 1 36 36 ASN HD21 H 1 6.438 0.01 . . . . . . . 36 ASN HD21 . 28038 1 433 . 1 . 1 36 36 ASN HD22 H 1 7.336 0.01 . . . . . . . 36 ASN HD22 . 28038 1 434 . 1 . 1 36 36 ASN C C 13 176.36 0.15 . 1 . . . . . 36 ASN C . 28038 1 435 . 1 . 1 36 36 ASN CA C 13 52.596 0.1 . 1 . . . . . 36 ASN CA . 28038 1 436 . 1 . 1 36 36 ASN CB C 13 37.133 0.1 . 1 . . . . . 36 ASN CB . 28038 1 437 . 1 . 1 36 36 ASN CG C 13 175.806 0.1 . 1 . . . . . 36 ASN CG . 28038 1 438 . 1 . 1 36 36 ASN N N 15 114.034 0.1 . 1 . . . . . 36 ASN N . 28038 1 439 . 1 . 1 36 36 ASN ND2 N 15 107.744 0.1 . 1 . . . . . 36 ASN ND2 . 28038 1 440 . 1 . 1 37 37 GLY H H 1 8.087 0.01 . 1 . . . . . 37 GLY H . 28038 1 441 . 1 . 1 37 37 GLY HA2 H 1 3.556 0.01 . . . . . . . 37 GLY HA2 . 28038 1 442 . 1 . 1 37 37 GLY HA3 H 1 4.190 0.01 . . . . . . . 37 GLY HA3 . 28038 1 443 . 1 . 1 37 37 GLY C C 13 174.002 0.15 . 1 . . . . . 37 GLY C . 28038 1 444 . 1 . 1 37 37 GLY CA C 13 45.433 0.1 . 1 . . . . . 37 GLY CA . 28038 1 445 . 1 . 1 37 37 GLY N N 15 108.017 0.1 . 1 . . . . . 37 GLY N . 28038 1 446 . 1 . 1 38 38 LYS H H 1 7.738 0.01 . 1 . . . . . 38 LYS H . 28038 1 447 . 1 . 1 38 38 LYS HA H 1 4.107 0.01 . 1 . . . . . 38 LYS HA . 28038 1 448 . 1 . 1 38 38 LYS HB2 H 1 1.790 0.01 . . . . . . . 38 LYS HB2 . 28038 1 449 . 1 . 1 38 38 LYS HB3 H 1 1.790 0.01 . . . . . . . 38 LYS HB3 . 28038 1 450 . 1 . 1 38 38 LYS HG2 H 1 1.326 0.01 . . . . . . . 38 LYS HG2 . 28038 1 451 . 1 . 1 38 38 LYS HG3 H 1 1.275 0.01 . . . . . . . 38 LYS HG3 . 28038 1 452 . 1 . 1 38 38 LYS HD2 H 1 1.763 0.01 . . . . . . . 38 LYS HD2 . 28038 1 453 . 1 . 1 38 38 LYS HD3 H 1 1.763 0.01 . . . . . . . 38 LYS HD3 . 28038 1 454 . 1 . 1 38 38 LYS C C 13 175.822 0.15 . 1 . . . . . 38 LYS C . 28038 1 455 . 1 . 1 38 38 LYS CA C 13 56.745 0.1 . 1 . . . . . 38 LYS CA . 28038 1 456 . 1 . 1 38 38 LYS CB C 13 32.706 0.1 . 1 . . . . . 38 LYS CB . 28038 1 457 . 1 . 1 38 38 LYS CG C 13 24.765 0.1 . 1 . . . . . 38 LYS CG . 28038 1 458 . 1 . 1 38 38 LYS CD C 13 29.049 0.1 . 1 . . . . . 38 LYS CD . 28038 1 459 . 1 . 1 38 38 LYS CE C 13 42.33 0.1 . 1 . . . . . 38 LYS CE . 28038 1 460 . 1 . 1 38 38 LYS N N 15 121.296 0.1 . 1 . . . . . 38 LYS N . 28038 1 461 . 1 . 1 39 39 LYS H H 1 8.609 0.01 . 1 . . . . . 39 LYS H . 28038 1 462 . 1 . 1 39 39 LYS HA H 1 4.472 0.01 . 1 . . . . . 39 LYS HA . 28038 1 463 . 1 . 1 39 39 LYS HB2 H 1 1.793 0.01 . . . . . . . 39 LYS HB2 . 28038 1 464 . 1 . 1 39 39 LYS HB3 H 1 1.649 0.01 . . . . . . . 39 LYS HB3 . 28038 1 465 . 1 . 1 39 39 LYS HD2 H 1 1.650 0.01 . . . . . . . 39 LYS HD2 . 28038 1 466 . 1 . 1 39 39 LYS HD3 H 1 1.650 0.01 . . . . . . . 39 LYS HD3 . 28038 1 467 . 1 . 1 39 39 LYS HE2 H 1 2.950 0.01 . . . . . . . 39 LYS HE2 . 28038 1 468 . 1 . 1 39 39 LYS HE3 H 1 2.950 0.01 . . . . . . . 39 LYS HE3 . 28038 1 469 . 1 . 1 39 39 LYS C C 13 176.393 0.15 . 1 . . . . . 39 LYS C . 28038 1 470 . 1 . 1 39 39 LYS CA C 13 56.553 0.1 . 1 . . . . . 39 LYS CA . 28038 1 471 . 1 . 1 39 39 LYS CB C 13 32.720 0.1 . 1 . . . . . 39 LYS CB . 28038 1 472 . 1 . 1 39 39 LYS CG C 13 24.870 0.1 . 1 . . . . . 39 LYS CG . 28038 1 473 . 1 . 1 39 39 LYS CD C 13 29.097 0.1 . 1 . . . . . 39 LYS CD . 28038 1 474 . 1 . 1 39 39 LYS CE C 13 42.330 0.1 . 1 . . . . . 39 LYS CE . 28038 1 475 . 1 . 1 39 39 LYS N N 15 128.544 0.1 . 1 . . . . . 39 LYS N . 28038 1 476 . 1 . 1 40 40 PHE H H 1 8.181 0.01 . 1 . . . . . 40 PHE H . 28038 1 477 . 1 . 1 40 40 PHE HA H 1 5.088 0.01 . 1 . . . . . 40 PHE HA . 28038 1 478 . 1 . 1 40 40 PHE HB2 H 1 3.215 0.01 . . . . . . . 40 PHE HB2 . 28038 1 479 . 1 . 1 40 40 PHE HB3 H 1 2.577 0.01 . . . . . . . 40 PHE HB3 . 28038 1 480 . 1 . 1 40 40 PHE HD1 H 1 6.936 0.01 . . . . . . . 40 PHE HD1 . 28038 1 481 . 1 . 1 40 40 PHE HD2 H 1 6.936 0.01 . . . . . . . 40 PHE HD2 . 28038 1 482 . 1 . 1 40 40 PHE HE1 H 1 7.219 0.01 . . . . . . . 40 PHE HE1 . 28038 1 483 . 1 . 1 40 40 PHE HE2 H 1 7.219 0.01 . . . . . . . 40 PHE HE2 . 28038 1 484 . 1 . 1 40 40 PHE HZ H 1 6.747 0.01 . 1 . . . . . 40 PHE HZ . 28038 1 485 . 1 . 1 40 40 PHE C C 13 173.828 0.15 . 1 . . . . . 40 PHE C . 28038 1 486 . 1 . 1 40 40 PHE CA C 13 56.213 0.1 . 1 . . . . . 40 PHE CA . 28038 1 487 . 1 . 1 40 40 PHE CB C 13 41.252 0.1 . 1 . . . . . 40 PHE CB . 28038 1 488 . 1 . 1 40 40 PHE CD1 C 13 132.790 0.1 . . . . . . . 40 PHE CD1 . 28038 1 489 . 1 . 1 40 40 PHE CD2 C 13 132.790 0.1 . . . . . . . 40 PHE CD2 . 28038 1 490 . 1 . 1 40 40 PHE CE1 C 13 131.164 0.1 . . . . . . . 40 PHE CE1 . 28038 1 491 . 1 . 1 40 40 PHE CE2 C 13 131.164 0.1 . . . . . . . 40 PHE CE2 . 28038 1 492 . 1 . 1 40 40 PHE CZ C 13 132.783 0.1 . 1 . . . . . 40 PHE CZ . 28038 1 493 . 1 . 1 40 40 PHE N N 15 121.404 0.1 . 1 . . . . . 40 PHE N . 28038 1 494 . 1 . 1 41 41 ASP H H 1 6.636 0.01 . 1 . . . . . 41 ASP H . 28038 1 495 . 1 . 1 41 41 ASP HA H 1 4.793 0.01 . 1 . . . . . 41 ASP HA . 28038 1 496 . 1 . 1 41 41 ASP HB2 H 1 2.150 0.01 . . . . . . . 41 ASP HB2 . 28038 1 497 . 1 . 1 41 41 ASP HB3 H 1 3.364 0.01 . . . . . . . 41 ASP HB3 . 28038 1 498 . 1 . 1 41 41 ASP C C 13 174.572 0.15 . 1 . . . . . 41 ASP C . 28038 1 499 . 1 . 1 41 41 ASP CA C 13 55.093 0.1 . 1 . . . . . 41 ASP CA . 28038 1 500 . 1 . 1 41 41 ASP CB C 13 44.326 0.1 . 1 . . . . . 41 ASP CB . 28038 1 501 . 1 . 1 41 41 ASP N N 15 117.975 0.1 . 1 . . . . . 41 ASP N . 28038 1 502 . 1 . 1 42 42 SER H H 1 8.149 0.01 . 1 . . . . . 42 SER H . 28038 1 503 . 1 . 1 42 42 SER HA H 1 4.640 0.01 . 1 . . . . . 42 SER HA . 28038 1 504 . 1 . 1 42 42 SER HB2 H 1 3.555 0.01 . . . . . . . 42 SER HB2 . 28038 1 505 . 1 . 1 42 42 SER HB3 H 1 3.977 0.01 . . . . . . . 42 SER HB3 . 28038 1 506 . 1 . 1 42 42 SER C C 13 175.127 0.15 . 1 . . . . . 42 SER C . 28038 1 507 . 1 . 1 42 42 SER CA C 13 56.969 0.1 . 1 . . . . . 42 SER CA . 28038 1 508 . 1 . 1 42 42 SER CB C 13 64.711 0.1 . 1 . . . . . 42 SER CB . 28038 1 509 . 1 . 1 42 42 SER N N 15 118.819 0.1 . 1 . . . . . 42 SER N . 28038 1 510 . 1 . 1 43 43 SER H H 1 7.834 0.01 . 1 . . . . . 43 SER H . 28038 1 511 . 1 . 1 43 43 SER HA H 1 3.974 0.01 . 1 . . . . . 43 SER HA . 28038 1 512 . 1 . 1 43 43 SER HB2 H 1 3.565 0.01 . . . . . . . 43 SER HB2 . 28038 1 513 . 1 . 1 43 43 SER HB3 H 1 3.565 0.01 . . . . . . . 43 SER HB3 . 28038 1 514 . 1 . 1 43 43 SER C C 13 176.789 0.15 . 1 . . . . . 43 SER C . 28038 1 515 . 1 . 1 43 43 SER CA C 13 61.708 0.1 . 1 . . . . . 43 SER CA . 28038 1 516 . 1 . 1 43 43 SER CB C 13 64.679 0.1 . 1 . . . . . 43 SER CB . 28038 1 517 . 1 . 1 43 43 SER N N 15 125.092 0.1 . 1 . . . . . 43 SER N . 28038 1 518 . 1 . 1 44 44 ARG H H 1 7.454 0.01 . 1 . . . . . 44 ARG H . 28038 1 519 . 1 . 1 44 44 ARG HA H 1 3.502 0.01 . 1 . . . . . 44 ARG HA . 28038 1 520 . 1 . 1 44 44 ARG HB2 H 1 1.272 0.01 . . . . . . . 44 ARG HB2 . 28038 1 521 . 1 . 1 44 44 ARG HB3 H 1 1.272 0.01 . . . . . . . 44 ARG HB3 . 28038 1 522 . 1 . 1 44 44 ARG HG2 H 1 0.931 0.01 . . . . . . . 44 ARG HG2 . 28038 1 523 . 1 . 1 44 44 ARG HG3 H 1 0.520 0.01 . . . . . . . 44 ARG HG3 . 28038 1 524 . 1 . 1 44 44 ARG HD2 H 1 2.666 0.01 . . . . . . . 44 ARG HD2 . 28038 1 525 . 1 . 1 44 44 ARG HD3 H 1 2.666 0.01 . . . . . . . 44 ARG HD3 . 28038 1 526 . 1 . 1 44 44 ARG C C 13 179.574 0.15 . 1 . . . . . 44 ARG C . 28038 1 527 . 1 . 1 44 44 ARG CA C 13 58.947 0.1 . 1 . . . . . 44 ARG CA . 28038 1 528 . 1 . 1 44 44 ARG CB C 13 28.517 0.1 . 1 . . . . . 44 ARG CB . 28038 1 529 . 1 . 1 44 44 ARG CG C 13 28.661 0.1 . 1 . . . . . 44 ARG CG . 28038 1 530 . 1 . 1 44 44 ARG CD C 13 42.666 0.1 . 1 . . . . . 44 ARG CD . 28038 1 531 . 1 . 1 44 44 ARG N N 15 123.713 0.1 . 1 . . . . . 44 ARG N . 28038 1 532 . 1 . 1 45 45 ASP H H 1 7.154 0.01 . 1 . . . . . 45 ASP H . 28038 1 533 . 1 . 1 45 45 ASP HA H 1 4.226 0.01 . 1 . . . . . 45 ASP HA . 28038 1 534 . 1 . 1 45 45 ASP HB2 H 1 2.584 0.01 . . . . . . . 45 ASP HB2 . 28038 1 535 . 1 . 1 45 45 ASP HB3 H 1 2.705 0.01 . . . . . . . 45 ASP HB3 . 28038 1 536 . 1 . 1 45 45 ASP C C 13 177.093 0.15 . 1 . . . . . 45 ASP C . 28038 1 537 . 1 . 1 45 45 ASP CA C 13 56.395 0.1 . 1 . . . . . 45 ASP CA . 28038 1 538 . 1 . 1 45 45 ASP CB C 13 40.084 0.1 . 1 . . . . . 45 ASP CB . 28038 1 539 . 1 . 1 45 45 ASP N N 15 118.546 0.1 . 1 . . . . . 45 ASP N . 28038 1 540 . 1 . 1 46 46 ARG H H 1 6.932 0.01 . 1 . . . . . 46 ARG H . 28038 1 541 . 1 . 1 46 46 ARG HA H 1 4.333 0.01 . 1 . . . . . 46 ARG HA . 28038 1 542 . 1 . 1 46 46 ARG HB2 H 1 2.058 0.01 . . . . . . . 46 ARG HB2 . 28038 1 543 . 1 . 1 46 46 ARG HB3 H 1 1.931 0.01 . . . . . . . 46 ARG HB3 . 28038 1 544 . 1 . 1 46 46 ARG HG2 H 1 1.792 0.01 . . . . . . . 46 ARG HG2 . 28038 1 545 . 1 . 1 46 46 ARG HG3 H 1 1.606 0.01 . . . . . . . 46 ARG HG3 . 28038 1 546 . 1 . 1 46 46 ARG HD2 H 1 3.212 0.01 . . . . . . . 46 ARG HD2 . 28038 1 547 . 1 . 1 46 46 ARG HD3 H 1 3.493 0.01 . . . . . . . 46 ARG HD3 . 28038 1 548 . 1 . 1 46 46 ARG C C 13 177.108 0.15 . 1 . . . . . 46 ARG C . 28038 1 549 . 1 . 1 46 46 ARG CA C 13 57.053 0.1 . 1 . . . . . 46 ARG CA . 28038 1 550 . 1 . 1 46 46 ARG CB C 13 31.621 0.1 . 1 . . . . . 46 ARG CB . 28038 1 551 . 1 . 1 46 46 ARG CG C 13 29.065 0.1 . 1 . . . . . 46 ARG CG . 28038 1 552 . 1 . 1 46 46 ARG CD C 13 43.721 0.1 . 1 . . . . . 46 ARG CD . 28038 1 553 . 1 . 1 46 46 ARG N N 15 115.726 0.1 . 1 . . . . . 46 ARG N . 28038 1 554 . 1 . 1 47 47 GLY H H 1 7.609 0.01 . 1 . . . . . 47 GLY H . 28038 1 555 . 1 . 1 47 47 GLY HA2 H 1 3.758 0.01 . . . . . . . 47 GLY HA2 . 28038 1 556 . 1 . 1 47 47 GLY HA3 H 1 4.079 0.01 . . . . . . . 47 GLY HA3 . 28038 1 557 . 1 . 1 47 47 GLY C C 13 173.379 0.15 . 1 . . . . . 47 GLY C . 28038 1 558 . 1 . 1 47 47 GLY CA C 13 45.840 0.1 . 1 . . . . . 47 GLY CA . 28038 1 559 . 1 . 1 47 47 GLY N N 15 106.584 0.1 . 1 . . . . . 47 GLY N . 28038 1 560 . 1 . 1 48 48 LYS H H 1 7.224 0.01 . 1 . . . . . 48 LYS H . 28038 1 561 . 1 . 1 48 48 LYS HA H 1 4.879 0.01 . 1 . . . . . 48 LYS HA . 28038 1 562 . 1 . 1 48 48 LYS HB2 H 1 1.756 0.01 . . . . . . . 48 LYS HB2 . 28038 1 563 . 1 . 1 48 48 LYS HB3 H 1 1.618 0.01 . . . . . . . 48 LYS HB3 . 28038 1 564 . 1 . 1 48 48 LYS HG2 H 1 1.390 0.01 . . . . . . . 48 LYS HG2 . 28038 1 565 . 1 . 1 48 48 LYS HG3 H 1 1.390 0.01 . . . . . . . 48 LYS HG3 . 28038 1 566 . 1 . 1 48 48 LYS HD2 H 1 1.641 0.01 . . . . . . . 48 LYS HD2 . 28038 1 567 . 1 . 1 48 48 LYS HD3 H 1 1.641 0.01 . . . . . . . 48 LYS HD3 . 28038 1 568 . 1 . 1 48 48 LYS C C 13 172.264 0.15 . 1 . . . . . 48 LYS C . 28038 1 569 . 1 . 1 48 48 LYS CA C 13 52.973 0.1 . 1 . . . . . 48 LYS CA . 28038 1 570 . 1 . 1 48 48 LYS CB C 13 35.036 0.1 . 1 . . . . . 48 LYS CB . 28038 1 571 . 1 . 1 48 48 LYS CG C 13 23.862 0.1 . 1 . . . . . 48 LYS CG . 28038 1 572 . 1 . 1 48 48 LYS CD C 13 29.307 0.1 . 1 . . . . . 48 LYS CD . 28038 1 573 . 1 . 1 48 48 LYS CE C 13 42.17 0.1 . 1 . . . . . 48 LYS CE . 28038 1 574 . 1 . 1 48 48 LYS N N 15 117.493 0.1 . 1 . . . . . 48 LYS N . 28038 1 575 . 1 . 1 49 49 PRO HA H 1 3.743 0.01 . 1 . . . . . 49 PRO HA . 28038 1 576 . 1 . 1 49 49 PRO HB2 H 1 1.082 0.01 . . . . . . . 49 PRO HB2 . 28038 1 577 . 1 . 1 49 49 PRO HB3 H 1 1.306 0.01 . . . . . . . 49 PRO HB3 . 28038 1 578 . 1 . 1 49 49 PRO HG2 H 1 1.237 0.01 . . . . . . . 49 PRO HG2 . 28038 1 579 . 1 . 1 49 49 PRO HG3 H 1 1.586 0.01 . . . . . . . 49 PRO HG3 . 28038 1 580 . 1 . 1 49 49 PRO HD2 H 1 3.487 0.01 . . . . . . . 49 PRO HD2 . 28038 1 581 . 1 . 1 49 49 PRO HD3 H 1 3.548 0.01 . . . . . . . 49 PRO HD3 . 28038 1 582 . 1 . 1 49 49 PRO C C 13 174.197 0.15 . 1 . . . . . 49 PRO C . 28038 1 583 . 1 . 1 49 49 PRO CA C 13 62.435 0.1 . 1 . . . . . 49 PRO CA . 28038 1 584 . 1 . 1 49 49 PRO CB C 13 32.347 0.1 . 1 . . . . . 49 PRO CB . 28038 1 585 . 1 . 1 49 49 PRO CG C 13 26.356 0.1 . 1 . . . . . 49 PRO CG . 28038 1 586 . 1 . 1 49 49 PRO CD C 13 50.415 0.1 . 1 . . . . . 49 PRO CD . 28038 1 587 . 1 . 1 50 50 PHE H H 1 9.000 0.01 . 1 . . . . . 50 PHE H . 28038 1 588 . 1 . 1 50 50 PHE HA H 1 4.741 0.01 . 1 . . . . . 50 PHE HA . 28038 1 589 . 1 . 1 50 50 PHE HB2 H 1 3.027 0.01 . . . . . . . 50 PHE HB2 . 28038 1 590 . 1 . 1 50 50 PHE HB3 H 1 3.331 0.01 . . . . . . . 50 PHE HB3 . 28038 1 591 . 1 . 1 50 50 PHE HD1 H 1 7.243 0.01 . . . . . . . 50 PHE HD1 . 28038 1 592 . 1 . 1 50 50 PHE HD2 H 1 7.243 0.01 . . . . . . . 50 PHE HD2 . 28038 1 593 . 1 . 1 50 50 PHE HE1 H 1 7.389 0.01 . . . . . . . 50 PHE HE1 . 28038 1 594 . 1 . 1 50 50 PHE HE2 H 1 7.389 0.01 . . . . . . . 50 PHE HE2 . 28038 1 595 . 1 . 1 50 50 PHE HZ H 1 7.376 0.01 . 1 . . . . . 50 PHE HZ . 28038 1 596 . 1 . 1 50 50 PHE C C 13 173.156 0.15 . 1 . . . . . 50 PHE C . 28038 1 597 . 1 . 1 50 50 PHE CA C 13 57.263 0.1 . 1 . . . . . 50 PHE CA . 28038 1 598 . 1 . 1 50 50 PHE CB C 13 42.868 0.1 . 1 . . . . . 50 PHE CB . 28038 1 599 . 1 . 1 50 50 PHE CD1 C 13 131.741 0.1 . . . . . . . 50 PHE CD1 . 28038 1 600 . 1 . 1 50 50 PHE CD2 C 13 131.741 0.1 . . . . . . . 50 PHE CD2 . 28038 1 601 . 1 . 1 50 50 PHE CE1 C 13 131.231 0.1 . . . . . . . 50 PHE CE1 . 28038 1 602 . 1 . 1 50 50 PHE CE2 C 13 131.231 0.1 . . . . . . . 50 PHE CE2 . 28038 1 603 . 1 . 1 50 50 PHE CZ C 13 131.853 0.1 . 1 . . . . . 50 PHE CZ . 28038 1 604 . 1 . 1 50 50 PHE N N 15 123.625 0.1 . 1 . . . . . 50 PHE N . 28038 1 605 . 1 . 1 51 51 GLN H H 1 7.487 0.01 . 1 . . . . . 51 GLN H . 28038 1 606 . 1 . 1 51 51 GLN HA H 1 5.662 0.01 . 1 . . . . . 51 GLN HA . 28038 1 607 . 1 . 1 51 51 GLN HB2 H 1 1.527 0.01 . . . . . . . 51 GLN HB2 . 28038 1 608 . 1 . 1 51 51 GLN HB3 H 1 1.592 0.01 . . . . . . . 51 GLN HB3 . 28038 1 609 . 1 . 1 51 51 GLN HG2 H 1 1.972 0.01 . . . . . . . 51 GLN HG2 . 28038 1 610 . 1 . 1 51 51 GLN HG3 H 1 2.138 0.01 . . . . . . . 51 GLN HG3 . 28038 1 611 . 1 . 1 51 51 GLN HE21 H 1 6.681 0.01 . . . . . . . 51 GLN HE21 . 28038 1 612 . 1 . 1 51 51 GLN HE22 H 1 7.173 0.01 . . . . . . . 51 GLN HE22 . 28038 1 613 . 1 . 1 51 51 GLN C C 13 174.146 0.15 . 1 . . . . . 51 GLN C . 28038 1 614 . 1 . 1 51 51 GLN CA C 13 53.357 0.1 . 1 . . . . . 51 GLN CA . 28038 1 615 . 1 . 1 51 51 GLN CB C 13 32.453 0.1 . 1 . . . . . 51 GLN CB . 28038 1 616 . 1 . 1 51 51 GLN CG C 13 34.442 0.1 . 1 . . . . . 51 GLN CG . 28038 1 617 . 1 . 1 51 51 GLN CD C 13 180.784 0.1 . 1 . . . . . 51 GLN CD . 28038 1 618 . 1 . 1 51 51 GLN N N 15 125.003 0.1 . 1 . . . . . 51 GLN N . 28038 1 619 . 1 . 1 51 51 GLN NE2 N 15 112.762 0.1 . 1 . . . . . 51 GLN NE2 . 28038 1 620 . 1 . 1 52 52 CYS H H 1 8.250 0.01 . 1 . . . . . 52 CYS H . 28038 1 621 . 1 . 1 52 52 CYS HA H 1 4.682 0.01 . 1 . . . . . 52 CYS HA . 28038 1 622 . 1 . 1 52 52 CYS HB2 H 1 2.842 0.01 . . . . . . . 52 CYS HB2 . 28038 1 623 . 1 . 1 52 52 CYS HB3 H 1 2.884 0.01 . . . . . . . 52 CYS HB3 . 28038 1 624 . 1 . 1 52 52 CYS C C 13 171.858 0.15 . 1 . . . . . 52 CYS C . 28038 1 625 . 1 . 1 52 52 CYS CA C 13 55.190 0.1 . 1 . . . . . 52 CYS CA . 28038 1 626 . 1 . 1 52 52 CYS CB C 13 31.219 0.1 . 1 . . . . . 52 CYS CB . 28038 1 627 . 1 . 1 52 52 CYS N N 15 114.116 0.1 . 1 . . . . . 52 CYS N . 28038 1 628 . 1 . 1 53 53 THR H H 1 8.981 0.01 . 1 . . . . . 53 THR H . 28038 1 629 . 1 . 1 53 53 THR HA H 1 4.728 0.01 . 1 . . . . . 53 THR HA . 28038 1 630 . 1 . 1 53 53 THR HB H 1 3.691 0.01 . 1 . . . . . 53 THR HB . 28038 1 631 . 1 . 1 53 53 THR HG21 H 1 0.951 0.01 . 1 . . . . . 53 THR MG . 28038 1 632 . 1 . 1 53 53 THR HG22 H 1 0.951 0.01 . 1 . . . . . 53 THR MG . 28038 1 633 . 1 . 1 53 53 THR HG23 H 1 0.951 0.01 . 1 . . . . . 53 THR MG . 28038 1 634 . 1 . 1 53 53 THR C C 13 173.731 0.15 . 1 . . . . . 53 THR C . 28038 1 635 . 1 . 1 53 53 THR CA C 13 62.550 0.1 . 1 . . . . . 53 THR CB . 28038 1 636 . 1 . 1 53 53 THR CB C 13 68.481 0.1 . 1 . . . . . 53 THR CB . 28038 1 637 . 1 . 1 53 53 THR CG2 C 13 22.573 0.1 . 1 . . . . . 53 THR CG2 . 28038 1 638 . 1 . 1 53 53 THR N N 15 119.127 0.1 . 1 . . . . . 53 THR N . 28038 1 639 . 1 . 1 54 54 ILE H H 1 8.994 0.01 . 1 . . . . . 54 ILE H . 28038 1 640 . 1 . 1 54 54 ILE HA H 1 4.533 0.01 . 1 . . . . . 54 ILE HA . 28038 1 641 . 1 . 1 54 54 ILE HB H 1 1.580 0.01 . 1 . . . . . 54 ILE HB . 28038 1 642 . 1 . 1 54 54 ILE HG12 H 1 1.085 0.01 . . . . . . . 54 ILE HG12 . 28038 1 643 . 1 . 1 54 54 ILE HG13 H 1 1.341 0.01 . . . . . . . 54 ILE HG13 . 28038 1 644 . 1 . 1 54 54 ILE HG21 H 1 0.786 0.01 . 1 . . . . . 54 ILE MG . 28038 1 645 . 1 . 1 54 54 ILE HG22 H 1 0.786 0.01 . 1 . . . . . 54 ILE MG . 28038 1 646 . 1 . 1 54 54 ILE HG23 H 1 0.786 0.01 . 1 . . . . . 54 ILE MG . 28038 1 647 . 1 . 1 54 54 ILE HD11 H 1 0.938 0.01 . 1 . . . . . 54 ILE MD . 28038 1 648 . 1 . 1 54 54 ILE HD12 H 1 0.938 0.01 . 1 . . . . . 54 ILE MD . 28038 1 649 . 1 . 1 54 54 ILE HD13 H 1 0.938 0.01 . 1 . . . . . 54 ILE MD . 28038 1 650 . 1 . 1 54 54 ILE C C 13 173.768 0.15 . 1 . . . . . 54 ILE C . 28038 1 651 . 1 . 1 54 54 ILE CA C 13 56.148 0.1 . 1 . . . . . 54 ILE CA . 28038 1 652 . 1 . 1 54 54 ILE CB C 13 42.540 0.1 . 1 . . . . . 54 ILE CB . 28038 1 653 . 1 . 1 54 54 ILE CG1 C 13 29.991 0.1 . 1 . . . . . 54 ILE CG1 . 28038 1 654 . 1 . 1 54 54 ILE CG2 C 13 20.078 0.1 . 1 . . . . . 54 ILE CG2 . 28038 1 655 . 1 . 1 54 54 ILE CD1 C 13 13.347 0.1 . 1 . . . . . 54 ILE CD1 . 28038 1 656 . 1 . 1 54 54 ILE N N 15 128.684 0.1 . 1 . . . . . 54 ILE N . 28038 1 657 . 1 . 1 55 55 GLY H H 1 8.749 0.01 . 1 . . . . . 55 GLY H . 28038 1 658 . 1 . 1 55 55 GLY HA2 H 1 4.063 0.01 . . . . . . . 55 GLY HA2 . 28038 1 659 . 1 . 1 55 55 GLY HA3 H 1 3.498 0.01 . . . . . . . 55 GLY HA3 . 28038 1 660 . 1 . 1 55 55 GLY C C 13 173.635 0.15 . 1 . . . . . 55 GLY C . 28038 1 661 . 1 . 1 55 55 GLY CA C 13 45.92 0.1 . 1 . . . . . 55 GLY CA . 28038 1 662 . 1 . 1 55 55 GLY N N 15 113.545 0.1 . 1 . . . . . 55 GLY N . 28038 1 663 . 1 . 1 56 56 VAL H H 1 8.140 0.01 . 1 . . . . . 56 VAL H . 28038 1 664 . 1 . 1 56 56 VAL HA H 1 4.502 0.01 . 1 . . . . . 56 VAL HA . 28038 1 665 . 1 . 1 56 56 VAL HB H 1 2.202 0.01 . 1 . . . . . 56 VAL HB . 28038 1 666 . 1 . 1 56 56 VAL HG11 H 1 0.568 0.01 . . . . . . . 56 VAL MG1 . 28038 1 667 . 1 . 1 56 56 VAL HG12 H 1 0.568 0.01 . . . . . . . 56 VAL MG1 . 28038 1 668 . 1 . 1 56 56 VAL HG13 H 1 0.568 0.01 . . . . . . . 56 VAL MG1 . 28038 1 669 . 1 . 1 56 56 VAL HG21 H 1 -0.066 0.01 . . . . . . . 56 VAL MG2 . 28038 1 670 . 1 . 1 56 56 VAL HG22 H 1 -0.066 0.01 . . . . . . . 56 VAL MG2 . 28038 1 671 . 1 . 1 56 56 VAL HG23 H 1 -0.066 0.01 . . . . . . . 56 VAL MG2 . 28038 1 672 . 1 . 1 56 56 VAL C C 13 175.704 0.15 . 1 . . . . . 56 VAL C . 28038 1 673 . 1 . 1 56 56 VAL CA C 13 59.677 0.1 . 1 . . . . . 56 VAL CA . 28038 1 674 . 1 . 1 56 56 VAL CB C 13 32.581 0.1 . 1 . . . . . 56 VAL CB . 28038 1 675 . 1 . 1 56 56 VAL CG1 C 13 20.493 0.1 . . . . . . . 56 VAL CG1 . 28038 1 676 . 1 . 1 56 56 VAL CG2 C 13 16.912 0.1 . . . . . . . 56 VAL CG2 . 28038 1 677 . 1 . 1 56 56 VAL N N 15 110.527 0.1 . 1 . . . . . 56 VAL N . 28038 1 678 . 1 . 1 57 57 GLY H H 1 8.900 0.01 . 1 . . . . . 57 GLY H . 28038 1 679 . 1 . 1 57 57 GLY HA2 H 1 4.010 0.01 . . . . . . . 57 GLY HA2 . 28038 1 680 . 1 . 1 57 57 GLY HA3 H 1 4.099 0.01 . . . . . . . 57 GLY HA3 . 28038 1 681 . 1 . 1 57 57 GLY C C 13 175.877 0.15 . 1 . . . . . 57 GLY C . 28038 1 682 . 1 . 1 57 57 GLY CA C 13 46.088 0.1 . 1 . . . . . 57 GLY CA . 28038 1 683 . 1 . 1 57 57 GLY N N 15 112.852 0.1 . 1 . . . . . 57 GLY N . 28038 1 684 . 1 . 1 58 58 HIS H H 1 9.360 0.01 . 1 . . . . . 58 HIS H . 28038 1 685 . 1 . 1 58 58 HIS HA H 1 4.685 0.01 . 1 . . . . . 58 HIS HA . 28038 1 686 . 1 . 1 58 58 HIS HB2 H 1 3.414 0.01 . . . . . . . 58 HIS HB2 . 28038 1 687 . 1 . 1 58 58 HIS HB3 H 1 2.949 0.01 . . . . . . . 58 HIS HB3 . 28038 1 688 . 1 . 1 58 58 HIS HD2 H 1 6.651 0.01 . 1 . . . . . 58 HIS HD2 . 28038 1 689 . 1 . 1 58 58 HIS HE1 H 1 7.858 0.01 . 1 . . . . . 58 HIS HE1 . 28038 1 690 . 1 . 1 58 58 HIS C C 13 173.95 0.15 . 1 . . . . . 58 HIS C . 28038 1 691 . 1 . 1 58 58 HIS CA C 13 55.490 0.1 . 1 . . . . . 58 HIS CA . 28038 1 692 . 1 . 1 58 58 HIS CB C 13 31.272 0.1 . 1 . . . . . 58 HIS CB . 28038 1 693 . 1 . 1 58 58 HIS CD2 C 13 116.646 0.1 . 1 . . . . . 58 HIS CD2 . 28038 1 694 . 1 . 1 58 58 HIS CE1 C 13 137.875 0.1 . 1 . . . . . 58 HIS CE1 . 28038 1 695 . 1 . 1 58 58 HIS N N 15 120.223 0.1 . 1 . . . . . 58 HIS N . 28038 1 696 . 1 . 1 59 59 VAL H H 1 7.088 0.01 . 1 . . . . . 59 VAL H . 28038 1 697 . 1 . 1 59 59 VAL HA H 1 4.517 0.01 . 1 . . . . . 59 VAL HA . 28038 1 698 . 1 . 1 59 59 VAL HB H 1 1.908 0.01 . 1 . . . . . 59 VAL HB . 28038 1 699 . 1 . 1 59 59 VAL HG11 H 1 1.140 0.01 . . . . . . . 59 VAL MG1 . 28038 1 700 . 1 . 1 59 59 VAL HG12 H 1 1.140 0.01 . . . . . . . 59 VAL MG1 . 28038 1 701 . 1 . 1 59 59 VAL HG13 H 1 1.140 0.01 . . . . . . . 59 VAL MG1 . 28038 1 702 . 1 . 1 59 59 VAL HG21 H 1 0.897 0.01 . . . . . . . 59 VAL MG2 . 28038 1 703 . 1 . 1 59 59 VAL HG22 H 1 0.897 0.01 . . . . . . . 59 VAL MG2 . 28038 1 704 . 1 . 1 59 59 VAL HG23 H 1 0.897 0.01 . . . . . . . 59 VAL MG2 . 28038 1 705 . 1 . 1 59 59 VAL C C 13 174.748 0.15 . 1 . . . . . 59 VAL C . 28038 1 706 . 1 . 1 59 59 VAL CA C 13 58.085 0.1 . 1 . . . . . 59 VAL CA . 28038 1 707 . 1 . 1 59 59 VAL CB C 13 36.600 0.1 . 1 . . . . . 59 VAL CB . 28038 1 708 . 1 . 1 59 59 VAL CG1 C 13 23.240 0.1 . . . . . . . 59 VAL CG1 . 28038 1 709 . 1 . 1 59 59 VAL CG2 C 13 19.570 0.1 . . . . . . . 59 VAL CG2 . 28038 1 710 . 1 . 1 59 59 VAL N N 15 109.698 0.1 . 1 . . . . . 59 VAL N . 28038 1 711 . 1 . 1 60 60 ILE H H 1 6.872 0.01 . 1 . . . . . 60 ILE H . 28038 1 712 . 1 . 1 60 60 ILE HA H 1 3.710 0.01 . 1 . . . . . 60 ILE HA . 28038 1 713 . 1 . 1 60 60 ILE HB H 1 1.856 0.01 . 1 . . . . . 60 ILE HB . 28038 1 714 . 1 . 1 60 60 ILE HG12 H 1 0.034 0.01 . . . . . . . 60 ILE HG12 . 28038 1 715 . 1 . 1 60 60 ILE HG13 H 1 0.627 0.01 . . . . . . . 60 ILE HG13 . 28038 1 716 . 1 . 1 60 60 ILE HG21 H 1 0.002 0.01 . 1 . . . . . 60 ILE MG . 28038 1 717 . 1 . 1 60 60 ILE HG22 H 1 0.002 0.01 . 1 . . . . . 60 ILE MG . 28038 1 718 . 1 . 1 60 60 ILE HG23 H 1 0.002 0.01 . 1 . . . . . 60 ILE MG . 28038 1 719 . 1 . 1 60 60 ILE HD11 H 1 0.252 0.01 . 1 . . . . . 60 ILE MD . 28038 1 720 . 1 . 1 60 60 ILE HD12 H 1 0.252 0.01 . 1 . . . . . 60 ILE MD . 28038 1 721 . 1 . 1 60 60 ILE HD13 H 1 0.252 0.01 . 1 . . . . . 60 ILE MD . 28038 1 722 . 1 . 1 60 60 ILE C C 13 176.206 0.15 . 1 . . . . . 60 ILE C . 28038 1 723 . 1 . 1 60 60 ILE CA C 13 62.326 0.1 . 1 . . . . . 60 ILE CA . 28038 1 724 . 1 . 1 60 60 ILE CB C 13 38.058 0.1 . 1 . . . . . 60 ILE CB . 28038 1 725 . 1 . 1 60 60 ILE CG1 C 13 24.196 0.1 . 1 . . . . . 60 ILE CG1 . 28038 1 726 . 1 . 1 60 60 ILE CG2 C 13 17.302 0.1 . 1 . . . . . 60 ILE CG2 . 28038 1 727 . 1 . 1 60 60 ILE CD1 C 13 14.307 0.1 . 1 . . . . . 60 ILE CD1 . 28038 1 728 . 1 . 1 60 60 ILE N N 15 111.334 0.1 . 1 . . . . . 60 ILE N . 28038 1 729 . 1 . 1 61 61 LYS H H 1 8.710 0.01 . 1 . . . . . 61 LYS H . 28038 1 730 . 1 . 1 61 61 LYS HA H 1 4.120 0.01 . 1 . . . . . 61 LYS HA . 28038 1 731 . 1 . 1 61 61 LYS HB2 H 1 1.577 0.01 . . . . . . . 61 LYS HB2 . 28038 1 732 . 1 . 1 61 61 LYS HB3 H 1 1.744 0.01 . . . . . . . 61 LYS HB3 . 28038 1 733 . 1 . 1 61 61 LYS HG2 H 1 1.372 0.01 . . . . . . . 61 LYS HG2 . 28038 1 734 . 1 . 1 61 61 LYS HG3 H 1 1.443 0.01 . . . . . . . 61 LYS HG3 . 28038 1 735 . 1 . 1 61 61 LYS HD2 H 1 1.633 0.01 . . . . . . . 61 LYS HD2 . 28038 1 736 . 1 . 1 61 61 LYS HD3 H 1 1.760 0.01 . . . . . . . 61 LYS HD3 . 28038 1 737 . 1 . 1 61 61 LYS HE2 H 1 2.900 0.01 . . . . . . . 61 LYS HE2 . 28038 1 738 . 1 . 1 61 61 LYS HE3 H 1 2.900 0.01 . . . . . . . 61 LYS HE3 . 28038 1 739 . 1 . 1 61 61 LYS C C 13 179.078 0.15 . 1 . . . . . 61 LYS C . 28038 1 740 . 1 . 1 61 61 LYS CA C 13 59.170 0.1 . 1 . . . . . 61 LYS CA . 28038 1 741 . 1 . 1 61 61 LYS CB C 13 31.704 0.1 . 1 . . . . . 61 LYS CB . 28038 1 742 . 1 . 1 61 61 LYS CG C 13 24.422 0.1 . 1 . . . . . 61 LYS CG . 28038 1 743 . 1 . 1 61 61 LYS CD C 13 29.049 0.1 . 1 . . . . . 61 LYS CD . 28038 1 744 . 1 . 1 61 61 LYS CE C 13 42.02 0.1 . 1 . . . . . 61 LYS CE . 28038 1 745 . 1 . 1 61 61 LYS N N 15 125.809 0.1 . 1 . . . . . 61 LYS N . 28038 1 746 . 1 . 1 62 62 GLY H H 1 9.316 0.01 . 1 . . . . . 62 GLY H . 28038 1 747 . 1 . 1 62 62 GLY HA2 H 1 4.032 0.01 . . . . . . . 62 GLY HA2 . 28038 1 748 . 1 . 1 62 62 GLY HA3 H 1 3.776 0.01 . . . . . . . 62 GLY HA3 . 28038 1 749 . 1 . 1 62 62 GLY C C 13 176.65 0.15 . 1 . . . . . 62 GLY C . 28038 1 750 . 1 . 1 62 62 GLY CA C 13 48.346 0.1 . 1 . . . . . 62 GLY CA . 28038 1 751 . 1 . 1 62 62 GLY N N 15 101.362 0.1 . 1 . . . . . 62 GLY N . 28038 1 752 . 1 . 1 63 63 TRP H H 1 7.493 0.01 . 1 . . . . . 63 TRP H . 28038 1 753 . 1 . 1 63 63 TRP HA H 1 4.320 0.01 . 1 . . . . . 63 TRP HA . 28038 1 754 . 1 . 1 63 63 TRP HB2 H 1 3.198 0.01 . . . . . . . 63 TRP HB2 . 28038 1 755 . 1 . 1 63 63 TRP HB3 H 1 2.749 0.01 . . . . . . . 63 TRP HB3 . 28038 1 756 . 1 . 1 63 63 TRP HD1 H 1 6.139 0.01 . 1 . . . . . 63 TRP HD1 . 28038 1 757 . 1 . 1 63 63 TRP HE1 H 1 5.242 0.01 . 1 . . . . . 63 TRP HE1 . 28038 1 758 . 1 . 1 63 63 TRP HE3 H 1 6.981 0.01 . 1 . . . . . 63 TRP HE3 . 28038 1 759 . 1 . 1 63 63 TRP HZ2 H 1 5.759 0.01 . 1 . . . . . 63 TRP HZ2 . 28038 1 760 . 1 . 1 63 63 TRP HZ3 H 1 6.710 0.01 . 1 . . . . . 63 TRP HZ3 . 28038 1 761 . 1 . 1 63 63 TRP HH2 H 1 5.533 0.01 . 1 . . . . . 63 TRP HH2 . 28038 1 762 . 1 . 1 63 63 TRP C C 13 176.901 0.15 . 1 . . . . . 63 TRP C . 28038 1 763 . 1 . 1 63 63 TRP CA C 13 59.454 0.1 . 1 . . . . . 63 TRP CA . 28038 1 764 . 1 . 1 63 63 TRP CB C 13 29.279 0.1 . 1 . . . . . 63 TRP CB . 28038 1 765 . 1 . 1 63 63 TRP CD1 C 13 120.721 0.1 . 1 . . . . . 63 TRP CD1 . 28038 1 766 . 1 . 1 63 63 TRP CE3 C 13 119.357 0.1 . 1 . . . . . 63 TRP CE3 . 28038 1 767 . 1 . 1 63 63 TRP CZ2 C 13 113.018 0.1 . 1 . . . . . 63 TRP CZ2 . 28038 1 768 . 1 . 1 63 63 TRP CZ3 C 13 121.487 0.1 . 1 . . . . . 63 TRP CZ3 . 28038 1 769 . 1 . 1 63 63 TRP CH2 C 13 124.159 0.1 . 1 . . . . . 63 TRP CH2 . 28038 1 770 . 1 . 1 63 63 TRP N N 15 119.341 0.1 . 1 . . . . . 63 TRP N . 28038 1 771 . 1 . 1 63 63 TRP NE1 N 15 117.718 0.1 . 1 . . . . . 63 TRP NE1 . 28038 1 772 . 1 . 1 64 64 ASP H H 1 7.170 0.01 . 1 . . . . . 64 ASP H . 28038 1 773 . 1 . 1 64 64 ASP HA H 1 4.396 0.01 . 1 . . . . . 64 ASP HA . 28038 1 774 . 1 . 1 64 64 ASP HB2 H 1 2.817 0.01 . . . . . . . 64 ASP HB2 . 28038 1 775 . 1 . 1 64 64 ASP HB3 H 1 2.500 0.01 . . . . . . . 64 ASP HB3 . 28038 1 776 . 1 . 1 64 64 ASP C C 13 177.709 0.15 . 1 . . . . . 64 ASP C . 28038 1 777 . 1 . 1 64 64 ASP CA C 13 57.772 0.1 . 1 . . . . . 64 ASP CA . 28038 1 778 . 1 . 1 64 64 ASP CB C 13 40.570 0.1 . 1 . . . . . 64 ASP CB . 28038 1 779 . 1 . 1 64 64 ASP N N 15 121.142 0.1 . 1 . . . . . 64 ASP N . 28038 1 780 . 1 . 1 65 65 ILE H H 1 8.092 0.01 . 1 . . . . . 65 ILE H . 28038 1 781 . 1 . 1 65 65 ILE HA H 1 3.845 0.01 . 1 . . . . . 65 ILE HA . 28038 1 782 . 1 . 1 65 65 ILE HB H 1 1.593 0.01 . 1 . . . . . 65 ILE HB . 28038 1 783 . 1 . 1 65 65 ILE HG12 H 1 1.501 0.01 . . . . . . . 65 ILE HG12 . 28038 1 784 . 1 . 1 65 65 ILE HG13 H 1 0.973 0.01 . . . . . . . 65 ILE HG13 . 28038 1 785 . 1 . 1 65 65 ILE HG21 H 1 0.771 0.01 . 1 . . . . . 65 ILE MG . 28038 1 786 . 1 . 1 65 65 ILE HG22 H 1 0.771 0.01 . 1 . . . . . 65 ILE MG . 28038 1 787 . 1 . 1 65 65 ILE HG23 H 1 0.771 0.01 . 1 . . . . . 65 ILE MG . 28038 1 788 . 1 . 1 65 65 ILE HD11 H 1 0.713 0.01 . 1 . . . . . 65 ILE MD . 28038 1 789 . 1 . 1 65 65 ILE HD12 H 1 0.713 0.01 . 1 . . . . . 65 ILE MD . 28038 1 790 . 1 . 1 65 65 ILE HD13 H 1 0.713 0.01 . 1 . . . . . 65 ILE MD . 28038 1 791 . 1 . 1 65 65 ILE C C 13 178.504 0.15 . 1 . . . . . 65 ILE C . 28038 1 792 . 1 . 1 65 65 ILE CA C 13 63.423 0.1 . 1 . . . . . 65 ILE CA . 28038 1 793 . 1 . 1 65 65 ILE CB C 13 39.536 0.1 . 1 . . . . . 65 ILE CB . 28038 1 794 . 1 . 1 65 65 ILE CG1 C 13 27.676 0.1 . 1 . . . . . 65 ILE CG1 . 28038 1 795 . 1 . 1 65 65 ILE CG2 C 13 16.995 0.1 . 1 . . . . . 65 ILE CG2 . 28038 1 796 . 1 . 1 65 65 ILE CD1 C 13 14.014 0.1 . 1 . . . . . 65 ILE CD1 . 28038 1 797 . 1 . 1 65 65 ILE N N 15 114.188 0.1 . 1 . . . . . 65 ILE N . 28038 1 798 . 1 . 1 66 66 GLY H H 1 8.065 0.01 . 1 . . . . . 66 GLY H . 28038 1 799 . 1 . 1 66 66 GLY HA2 H 1 3.346 0.01 . . . . . . . 66 GLY HA2 . 28038 1 800 . 1 . 1 66 66 GLY HA3 H 1 3.765 0.01 . . . . . . . 66 GLY HA3 . 28038 1 801 . 1 . 1 66 66 GLY C C 13 173.719 0.15 . 1 . . . . . 66 GLY C . 28038 1 802 . 1 . 1 66 66 GLY CA C 13 46.924 0.1 . 1 . . . . . 66 GLY CA . 28038 1 803 . 1 . 1 66 66 GLY N N 15 106.154 0.1 . 1 . . . . . 66 GLY N . 28038 1 804 . 1 . 1 67 67 ILE H H 1 8.431 0.01 . 1 . . . . . 67 ILE H . 28038 1 805 . 1 . 1 67 67 ILE HA H 1 3.715 0.01 . 1 . . . . . 67 ILE HA . 28038 1 806 . 1 . 1 67 67 ILE HB H 1 2.103 0.01 . 1 . . . . . 67 ILE HB . 28038 1 807 . 1 . 1 67 67 ILE HG12 H 1 0.587 0.01 . . . . . . . 67 ILE HG12 . 28038 1 808 . 1 . 1 67 67 ILE HG13 H 1 1.405 0.01 . . . . . . . 67 ILE HG13 . 28038 1 809 . 1 . 1 67 67 ILE HG21 H 1 0.675 0.01 . 1 . . . . . 67 ILE MG . 28038 1 810 . 1 . 1 67 67 ILE HG22 H 1 0.675 0.01 . 1 . . . . . 67 ILE MG . 28038 1 811 . 1 . 1 67 67 ILE HG23 H 1 0.675 0.01 . 1 . . . . . 67 ILE MG . 28038 1 812 . 1 . 1 67 67 ILE HD11 H 1 0.076 0.01 . 1 . . . . . 67 ILE MD . 28038 1 813 . 1 . 1 67 67 ILE HD12 H 1 0.076 0.01 . 1 . . . . . 67 ILE MD . 28038 1 814 . 1 . 1 67 67 ILE HD13 H 1 0.076 0.01 . 1 . . . . . 67 ILE MD . 28038 1 815 . 1 . 1 67 67 ILE C C 13 174.733 0.15 . 1 . . . . . 67 ILE C . 28038 1 816 . 1 . 1 67 67 ILE CA C 13 66.841 0.1 . 1 . . . . . 67 ILE CA . 28038 1 817 . 1 . 1 67 67 ILE CB C 13 34.222 0.1 . 1 . . . . . 67 ILE CB . 28038 1 818 . 1 . 1 67 67 ILE CG1 C 13 30.732 0.1 . 1 . . . . . 67 ILE CG1 . 28038 1 819 . 1 . 1 67 67 ILE CG2 C 13 17.737 0.1 . 1 . . . . . 67 ILE CG2 . 28038 1 820 . 1 . 1 67 67 ILE CD1 C 13 11.896 0.1 . 1 . . . . . 67 ILE CD1 . 28038 1 821 . 1 . 1 67 67 ILE N N 15 119.609 0.1 . 1 . . . . . 67 ILE N . 28038 1 822 . 1 . 1 68 68 PRO HA H 1 4.246 0.01 . 1 . . . . . 68 PRO HA . 28038 1 823 . 1 . 1 68 68 PRO HB2 H 1 1.482 0.01 . . . . . . . 68 PRO HB2 . 28038 1 824 . 1 . 1 68 68 PRO HB3 H 1 2.430 0.01 . . . . . . . 68 PRO HB3 . 28038 1 825 . 1 . 1 68 68 PRO HG2 H 1 2.125 0.01 . . . . . . . 68 PRO HG2 . 28038 1 826 . 1 . 1 68 68 PRO HG3 H 1 1.260 0.01 . . . . . . . 68 PRO HG3 . 28038 1 827 . 1 . 1 68 68 PRO HD2 H 1 3.072 0.01 . . . . . . . 68 PRO HD2 . 28038 1 828 . 1 . 1 68 68 PRO HD3 H 1 3.444 0.01 . . . . . . . 68 PRO HD3 . 28038 1 829 . 1 . 1 68 68 PRO C C 13 175.283 0.15 . 1 . . . . . 68 PRO C . 28038 1 830 . 1 . 1 68 68 PRO CA C 13 65.410 0.1 . 1 . . . . . 68 PRO CA . 28038 1 831 . 1 . 1 68 68 PRO CB C 13 31.243 0.1 . 1 . . . . . 68 PRO CB . 28038 1 832 . 1 . 1 68 68 PRO CG C 13 28.536 0.1 . 1 . . . . . 68 PRO CG . 28038 1 833 . 1 . 1 68 68 PRO CD C 13 51.339 0.1 . 1 . . . . . 68 PRO CD . 28038 1 834 . 1 . 1 69 69 LYS H H 1 7.075 0.01 . 1 . . . . . 69 LYS H . 28038 1 835 . 1 . 1 69 69 LYS HA H 1 4.131 0.01 . 1 . . . . . 69 LYS HA . 28038 1 836 . 1 . 1 69 69 LYS HB2 H 1 1.931 0.01 . . . . . . . 69 LYS HB2 . 28038 1 837 . 1 . 1 69 69 LYS HB3 H 1 1.931 0.01 . . . . . . . 69 LYS HB3 . 28038 1 838 . 1 . 1 69 69 LYS HG2 H 1 1.366 0.01 . . . . . . . 69 LYS HG2 . 28038 1 839 . 1 . 1 69 69 LYS HG3 H 1 1.555 0.01 . . . . . . . 69 LYS HG3 . 28038 1 840 . 1 . 1 69 69 LYS HD2 H 1 1.760 0.01 . . . . . . . 69 LYS HD2 . 28038 1 841 . 1 . 1 69 69 LYS HD3 H 1 1.760 0.01 . . . . . . . 69 LYS HD3 . 28038 1 842 . 1 . 1 69 69 LYS C C 13 175.62 0.15 . 1 . . . . . 69 LYS C . 28038 1 843 . 1 . 1 69 69 LYS CA C 13 56.505 0.1 . 1 . . . . . 69 LYS CA . 28038 1 844 . 1 . 1 69 69 LYS CB C 13 31.639 0.1 . 1 . . . . . 69 LYS CB . 28038 1 845 . 1 . 1 69 69 LYS CG C 13 25.559 0.1 . 1 . . . . . 69 LYS CG . 28038 1 846 . 1 . 1 69 69 LYS CD C 13 29.05 0.1 . 1 . . . . . 69 LYS CD . 28038 1 847 . 1 . 1 69 69 LYS CE C 13 42.02 0.1 . 1 . . . . . 69 LYS CE . 28038 1 848 . 1 . 1 69 69 LYS N N 15 112.736 0.1 . 1 . . . . . 69 LYS N . 28038 1 849 . 1 . 1 70 70 LEU H H 1 8.053 0.01 . 1 . . . . . 70 LEU H . 28038 1 850 . 1 . 1 70 70 LEU HA H 1 4.272 0.01 . 1 . . . . . 70 LEU HA . 28038 1 851 . 1 . 1 70 70 LEU HB2 H 1 1.932 0.01 . . . . . . . 70 LEU HB2 . 28038 1 852 . 1 . 1 70 70 LEU HB3 H 1 1.224 0.01 . . . . . . . 70 LEU HB3 . 28038 1 853 . 1 . 1 70 70 LEU HG H 1 1.727 0.01 . 1 . . . . . 70 LEU HG . 28038 1 854 . 1 . 1 70 70 LEU HD11 H 1 0.563 0.01 . . . . . . . 70 LEU MD1 . 28038 1 855 . 1 . 1 70 70 LEU HD12 H 1 0.563 0.01 . . . . . . . 70 LEU MD1 . 28038 1 856 . 1 . 1 70 70 LEU HD13 H 1 0.563 0.01 . . . . . . . 70 LEU MD1 . 28038 1 857 . 1 . 1 70 70 LEU HD21 H 1 0.504 0.01 . . . . . . . 70 LEU MD2 . 28038 1 858 . 1 . 1 70 70 LEU HD22 H 1 0.504 0.01 . . . . . . . 70 LEU MD2 . 28038 1 859 . 1 . 1 70 70 LEU HD23 H 1 0.504 0.01 . . . . . . . 70 LEU MD2 . 28038 1 860 . 1 . 1 70 70 LEU C C 13 173.053 0.15 . 1 . . . . . 70 LEU C . 28038 1 861 . 1 . 1 70 70 LEU CA C 13 54.511 0.1 . 1 . . . . . 70 LEU CA . 28038 1 862 . 1 . 1 70 70 LEU CB C 13 42.738 0.1 . 1 . . . . . 70 LEU CB . 28038 1 863 . 1 . 1 70 70 LEU CG C 13 27.885 0.1 . 1 . . . . . 70 LEU CG . 28038 1 864 . 1 . 1 70 70 LEU CD1 C 13 24.997 0.1 . . . . . . . 70 LEU CD1 . 28038 1 865 . 1 . 1 70 70 LEU CD2 C 13 24.392 0.1 . . . . . . . 70 LEU CD2 . 28038 1 866 . 1 . 1 70 70 LEU N N 15 121.261 0.1 . 1 . . . . . 70 LEU N . 28038 1 867 . 1 . 1 71 71 SER H H 1 6.965 0.01 . 1 . . . . . 71 SER H . 28038 1 868 . 1 . 1 71 71 SER HA H 1 4.548 0.01 . 1 . . . . . 71 SER HA . 28038 1 869 . 1 . 1 71 71 SER HB2 H 1 2.259 0.01 . . . . . . . 71 SER HB2 . 28038 1 870 . 1 . 1 71 71 SER HB3 H 1 3.376 0.01 . . . . . . . 71 SER HB3 . 28038 1 871 . 1 . 1 71 71 SER C C 13 177.831 0.15 . 1 . . . . . 71 SER C . 28038 1 872 . 1 . 1 71 71 SER CA C 13 55.158 0.1 . 1 . . . . . 71 SER CA . 28038 1 873 . 1 . 1 71 71 SER CB C 13 64.297 0.1 . 1 . . . . . 71 SER CB . 28038 1 874 . 1 . 1 71 71 SER N N 15 108.531 0.1 . 1 . . . . . 71 SER N . 28038 1 875 . 1 . 1 72 72 VAL H H 1 8.178 0.01 . 1 . . . . . 72 VAL H . 28038 1 876 . 1 . 1 72 72 VAL HA H 1 2.983 0.01 . 1 . . . . . 72 VAL HA . 28038 1 877 . 1 . 1 72 72 VAL HB H 1 1.936 0.01 . 1 . . . . . 72 VAL HB . 28038 1 878 . 1 . 1 72 72 VAL HG11 H 1 0.718 0.01 . . . . . . . 72 VAL MG1 . 28038 1 879 . 1 . 1 72 72 VAL HG12 H 1 0.718 0.01 . . . . . . . 72 VAL MG1 . 28038 1 880 . 1 . 1 72 72 VAL HG13 H 1 0.718 0.01 . . . . . . . 72 VAL MG1 . 28038 1 881 . 1 . 1 72 72 VAL HG21 H 1 0.772 0.01 . . . . . . . 72 VAL MG2 . 28038 1 882 . 1 . 1 72 72 VAL HG22 H 1 0.772 0.01 . . . . . . . 72 VAL MG2 . 28038 1 883 . 1 . 1 72 72 VAL HG23 H 1 0.772 0.01 . . . . . . . 72 VAL MG2 . 28038 1 884 . 1 . 1 72 72 VAL C C 13 175.888 0.15 . 1 . . . . . 72 VAL C . 28038 1 885 . 1 . 1 72 72 VAL CA C 13 67.202 0.1 . 1 . . . . . 72 VAL CA . 28038 1 886 . 1 . 1 72 72 VAL CB C 13 31.070 0.1 . 1 . . . . . 72 VAL CB . 28038 1 887 . 1 . 1 72 72 VAL CG1 C 13 21.314 0.1 . . . . . . . 72 VAL CG1 . 28038 1 888 . 1 . 1 72 72 VAL CG2 C 13 23.878 0.1 . . . . . . . 72 VAL CG2 . 28038 1 889 . 1 . 1 72 72 VAL N N 15 123.84 0.1 . 1 . . . . . 72 VAL N . 28038 1 890 . 1 . 1 73 73 GLY H H 1 8.825 0.01 . 1 . . . . . 73 GLY H . 28038 1 891 . 1 . 1 73 73 GLY HA2 H 1 3.799 0.01 . . . . . . . 73 GLY HA2 . 28038 1 892 . 1 . 1 73 73 GLY HA3 H 1 4.387 0.01 . . . . . . . 73 GLY HA3 . 28038 1 893 . 1 . 1 73 73 GLY C C 13 175.096 0.15 . 1 . . . . . 73 GLY C . 28038 1 894 . 1 . 1 73 73 GLY CA C 13 44.265 0.1 . 1 . . . . . 73 GLY CA . 28038 1 895 . 1 . 1 73 73 GLY N N 15 115.824 0.1 . 1 . . . . . 73 GLY N . 28038 1 896 . 1 . 1 74 74 SER H H 1 8.287 0.01 . 1 . . . . . 74 SER H . 28038 1 897 . 1 . 1 74 74 SER HA H 1 4.447 0.01 . 1 . . . . . 74 SER HA . 28038 1 898 . 1 . 1 74 74 SER HB2 H 1 3.883 0.01 . . . . . . . 74 SER HB2 . 28038 1 899 . 1 . 1 74 74 SER HB3 H 1 3.777 0.01 . . . . . . . 74 SER HB3 . 28038 1 900 . 1 . 1 74 74 SER C C 13 172.559 0.15 . 1 . . . . . 74 SER C . 28038 1 901 . 1 . 1 74 74 SER CA C 13 58.957 0.1 . 1 . . . . . 74 SER CA . 28038 1 902 . 1 . 1 74 74 SER CB C 13 65.544 0.1 . 1 . . . . . 74 SER CB . 28038 1 903 . 1 . 1 74 74 SER N N 15 116.869 0.1 . 1 . . . . . 74 SER N . 28038 1 904 . 1 . 1 75 75 GLN H H 1 8.610 0.01 . 1 . . . . . 75 GLN H . 28038 1 905 . 1 . 1 75 75 GLN HA H 1 5.376 0.01 . 1 . . . . . 75 GLN HA . 28038 1 906 . 1 . 1 75 75 GLN HB2 H 1 1.936 0.01 . . . . . . . 75 GLN HB2 . 28038 1 907 . 1 . 1 75 75 GLN HB3 H 1 1.751 0.01 . . . . . . . 75 GLN HB3 . 28038 1 908 . 1 . 1 75 75 GLN HG2 H 1 2.282 0.01 . . . . . . . 75 GLN HG2 . 28038 1 909 . 1 . 1 75 75 GLN HG3 H 1 2.011 0.01 . . . . . . . 75 GLN HG3 . 28038 1 910 . 1 . 1 75 75 GLN HE21 H 1 6.436 0.01 . . . . . . . 75 GLN HE21 . 28038 1 911 . 1 . 1 75 75 GLN HE22 H 1 7.984 0.01 . . . . . . . 75 GLN HE22 . 28038 1 912 . 1 . 1 75 75 GLN C C 13 175.271 0.15 . 1 . . . . . 75 GLN C . 28038 1 913 . 1 . 1 75 75 GLN CA C 13 54.169 0.1 . 1 . . . . . 75 GLN CA . 28038 1 914 . 1 . 1 75 75 GLN CB C 13 31.065 0.1 . 1 . . . . . 75 GLN CB . 28038 1 915 . 1 . 1 75 75 GLN CG C 13 33.35 0.1 . 1 . . . . . 75 GLN CG . 28038 1 916 . 1 . 1 75 75 GLN CD C 13 179.145 0.15 . 1 . . . . . 75 GLN CD . 28038 1 917 . 1 . 1 75 75 GLN N N 15 120.109 0.15 . 1 . . . . . 75 GLN N . 28038 1 918 . 1 . 1 75 75 GLN NE2 N 15 111.992 0.15 . 1 . . . . . 75 GLN NE2 . 28038 1 919 . 1 . 1 76 76 ALA H H 1 9.513 0.01 . 1 . . . . . 76 ALA H . 28038 1 920 . 1 . 1 76 76 ALA HA H 1 5.112 0.01 . 1 . . . . . 76 ALA HA . 28038 1 921 . 1 . 1 76 76 ALA HB1 H 1 1.149 0.01 . 1 . . . . . 76 ALA MB . 28038 1 922 . 1 . 1 76 76 ALA HB2 H 1 1.149 0.01 . 1 . . . . . 76 ALA MB . 28038 1 923 . 1 . 1 76 76 ALA HB3 H 1 1.149 0.01 . 1 . . . . . 76 ALA MB . 28038 1 924 . 1 . 1 76 76 ALA C C 13 173.717 0.15 . 1 . . . . . 76 ALA C . 28038 1 925 . 1 . 1 76 76 ALA CA C 13 50.840 0.1 . 1 . . . . . 76 ALA CA . 28038 1 926 . 1 . 1 76 76 ALA CB C 13 26.074 0.1 . 1 . . . . . 76 ALA CB . 28038 1 927 . 1 . 1 76 76 ALA N N 15 126.905 0.1 . 1 . . . . . 76 ALA N . 28038 1 928 . 1 . 1 77 77 LYS H H 1 9.249 0.01 . 1 . . . . . 77 LYS H . 28038 1 929 . 1 . 1 77 77 LYS HA H 1 5.428 0.01 . 1 . . . . . 77 LYS HA . 28038 1 930 . 1 . 1 77 77 LYS HB2 H 1 1.674 0.01 . . . . . . . 77 LYS HB2 . 28038 1 931 . 1 . 1 77 77 LYS HB3 H 1 1.674 0.01 . . . . . . . 77 LYS HB3 . 28038 1 932 . 1 . 1 77 77 LYS HG2 H 1 1.157 0.01 . . . . . . . 77 LYS HG2 . 28038 1 933 . 1 . 1 77 77 LYS HG3 H 1 1.327 0.01 . . . . . . . 77 LYS HG3 . 28038 1 934 . 1 . 1 77 77 LYS HD2 H 1 1.545 0.01 . . . . . . . 77 LYS HD2 . 28038 1 935 . 1 . 1 77 77 LYS HD3 H 1 1.545 0.01 . . . . . . . 77 LYS HD3 . 28038 1 936 . 1 . 1 77 77 LYS HE2 H 1 2.77 0.01 . . . . . . . 77 LYS HE2 . 28038 1 937 . 1 . 1 77 77 LYS HE3 H 1 2.77 0.01 . . . . . . . 77 LYS HE3 . 28038 1 938 . 1 . 1 77 77 LYS C C 13 175.922 0.15 . 1 . . . . . 77 LYS C . 28038 1 939 . 1 . 1 77 77 LYS CA C 13 54.685 0.1 . 1 . . . . . 77 LYS CA . 28038 1 940 . 1 . 1 77 77 LYS CB C 13 35.044 0.1 . 1 . . . . . 77 LYS CB . 28038 1 941 . 1 . 1 77 77 LYS CG C 13 24.663 0.1 . 1 . . . . . 77 LYS CG . 28038 1 942 . 1 . 1 77 77 LYS CD C 13 29.259 0.1 . 1 . . . . . 77 LYS CD . 28038 1 943 . 1 . 1 77 77 LYS CE C 13 41.52 0.1 . 1 . . . . . 77 LYS CE . 28038 1 944 . 1 . 1 77 77 LYS N N 15 121.682 0.1 . 1 . . . . . 77 LYS N . 28038 1 945 . 1 . 1 78 78 LEU H H 1 9.876 0.01 . 1 . . . . . 78 LEU H . 28038 1 946 . 1 . 1 78 78 LEU HA H 1 5.428 0.01 . 1 . . . . . 78 LEU HA . 28038 1 947 . 1 . 1 78 78 LEU HB2 H 1 1.469 0.01 . . . . . . . 78 LEU HB2 . 28038 1 948 . 1 . 1 78 78 LEU HB3 H 1 1.757 0.01 . . . . . . . 78 LEU HB3 . 28038 1 949 . 1 . 1 78 78 LEU HG H 1 1.637 0.01 . 1 . . . . . 78 LEU HG . 28038 1 950 . 1 . 1 78 78 LEU HD11 H 1 0.636 0.01 . . . . . . . 78 LEU MD1 . 28038 1 951 . 1 . 1 78 78 LEU HD12 H 1 0.636 0.01 . . . . . . . 78 LEU MD1 . 28038 1 952 . 1 . 1 78 78 LEU HD13 H 1 0.636 0.01 . . . . . . . 78 LEU MD1 . 28038 1 953 . 1 . 1 78 78 LEU HD21 H 1 0.620 0.01 . . . . . . . 78 LEU MD2 . 28038 1 954 . 1 . 1 78 78 LEU HD22 H 1 0.620 0.01 . . . . . . . 78 LEU MD2 . 28038 1 955 . 1 . 1 78 78 LEU HD23 H 1 0.620 0.01 . . . . . . . 78 LEU MD2 . 28038 1 956 . 1 . 1 78 78 LEU C C 13 175.526 0.15 . 1 . . . . . 78 LEU C . 28038 1 957 . 1 . 1 78 78 LEU CA C 13 53.774 0.1 . 1 . . . . . 78 LEU CA . 28038 1 958 . 1 . 1 78 78 LEU CB C 13 44.341 0.1 . 1 . . . . . 78 LEU CB . 28038 1 959 . 1 . 1 78 78 LEU CG C 13 29.098 0.1 . 1 . . . . . 78 LEU CG . 28038 1 960 . 1 . 1 78 78 LEU CD1 C 13 26.222 0.1 . . . . . . . 78 LEU CD1 . 28038 1 961 . 1 . 1 78 78 LEU CD2 C 13 24.872 0.1 . . . . . . . 78 LEU CD2 . 28038 1 962 . 1 . 1 78 78 LEU N N 15 129.674 0.1 . 1 . . . . . 78 LEU N . 28038 1 963 . 1 . 1 79 79 THR H H 1 8.841 0.01 . 1 . . . . . 79 THR H . 28038 1 964 . 1 . 1 79 79 THR HA H 1 4.872 0.01 . 1 . . . . . 79 THR HA . 28038 1 965 . 1 . 1 79 79 THR HB H 1 4.022 0.01 . 1 . . . . . 79 THR HB . 28038 1 966 . 1 . 1 79 79 THR HG21 H 1 0.947 0.01 . 1 . . . . . 79 THR HG1 . 28038 1 967 . 1 . 1 79 79 THR HG22 H 1 0.947 0.01 . 1 . . . . . 79 THR HG1 . 28038 1 968 . 1 . 1 79 79 THR HG23 H 1 0.947 0.01 . 1 . . . . . 79 THR HG1 . 28038 1 969 . 1 . 1 79 79 THR C C 13 173.886 0.15 . 1 . . . . . 79 THR C . 28038 1 970 . 1 . 1 79 79 THR CA C 13 63.018 0.1 . 1 . . . . . 79 THR CA . 28038 1 971 . 1 . 1 79 79 THR CB C 13 68.813 0.1 . 1 . . . . . 79 THR CB . 28038 1 972 . 1 . 1 79 79 THR CG2 C 13 20.791 0.1 . 1 . . . . . 79 THR CG2 . 28038 1 973 . 1 . 1 79 79 THR N N 15 121.644 0.1 . 1 . . . . . 79 THR N . 28038 1 974 . 1 . 1 80 80 ILE H H 1 9.627 0.01 . 1 . . . . . 80 ILE H . 28038 1 975 . 1 . 1 80 80 ILE HA H 1 4.756 0.01 . 1 . . . . . 80 ILE HA . 28038 1 976 . 1 . 1 80 80 ILE HB H 1 1.851 0.01 . 1 . . . . . 80 ILE HB . 28038 1 977 . 1 . 1 80 80 ILE HG12 H 1 1.426 0.01 . . . . . . . 80 ILE HG12 . 28038 1 978 . 1 . 1 80 80 ILE HG13 H 1 1.647 0.01 . . . . . . . 80 ILE HG13 . 28038 1 979 . 1 . 1 80 80 ILE HG21 H 1 0.920 0.01 . 1 . . . . . 80 ILE MG . 28038 1 980 . 1 . 1 80 80 ILE HG22 H 1 0.920 0.01 . 1 . . . . . 80 ILE MG . 28038 1 981 . 1 . 1 80 80 ILE HG23 H 1 0.920 0.01 . 1 . . . . . 80 ILE MG . 28038 1 982 . 1 . 1 80 80 ILE HD11 H 1 0.934 0.01 . 1 . . . . . 80 ILE MD . 28038 1 983 . 1 . 1 80 80 ILE HD12 H 1 0.934 0.01 . 1 . . . . . 80 ILE MD . 28038 1 984 . 1 . 1 80 80 ILE HD13 H 1 0.934 0.01 . 1 . . . . . 80 ILE MD . 28038 1 985 . 1 . 1 80 80 ILE C C 13 172.923 0.15 . 1 . . . . . 80 ILE C . 28038 1 986 . 1 . 1 80 80 ILE CA C 13 57.290 0.1 . 1 . . . . . 80 ILE CA . 28038 1 987 . 1 . 1 80 80 ILE CB C 13 41.732 0.1 . 1 . . . . . 80 ILE CB . 28038 1 988 . 1 . 1 80 80 ILE CG1 C 13 25.624 0.1 . 1 . . . . . 80 ILE CG1 . 28038 1 989 . 1 . 1 80 80 ILE CG2 C 13 17.861 0.1 . 1 . . . . . 80 ILE CG2 . 28038 1 990 . 1 . 1 80 80 ILE CD1 C 13 16.241 0.1 . 1 . . . . . 80 ILE CD1 . 28038 1 991 . 1 . 1 80 80 ILE N N 15 128.127 0.1 . 1 . . . . . 80 ILE N . 28038 1 992 . 1 . 1 81 81 PRO HA H 1 4.511 0.01 . 1 . . . . . 81 PRO HA . 28038 1 993 . 1 . 1 81 81 PRO HB2 H 1 1.810 0.01 . . . . . . . 81 PRO HB2 . 28038 1 994 . 1 . 1 81 81 PRO HB3 H 1 2.280 0.01 . . . . . . . 81 PRO HB3 . 28038 1 995 . 1 . 1 81 81 PRO HG2 H 1 0.896 0.01 . . . . . . . 81 PRO HG2 . 28038 1 996 . 1 . 1 81 81 PRO HG3 H 1 0.896 0.01 . . . . . . . 81 PRO HG3 . 28038 1 997 . 1 . 1 81 81 PRO HD2 H 1 3.193 0.01 . . . . . . . 81 PRO HD2 . 28038 1 998 . 1 . 1 81 81 PRO HD3 H 1 3.193 0.01 . . . . . . . 81 PRO HD3 . 28038 1 999 . 1 . 1 81 81 PRO C C 13 177.453 0.15 . 1 . . . . . 81 PRO C . 28038 1 1000 . 1 . 1 81 81 PRO CA C 13 61.585 0.1 . 1 . . . . . 81 PRO CA . 28038 1 1001 . 1 . 1 81 81 PRO CB C 13 32.810 0.1 . 1 . . . . . 81 PRO CB . 28038 1 1002 . 1 . 1 81 81 PRO CG C 13 26.626 0.1 . 1 . . . . . 81 PRO CG . 28038 1 1003 . 1 . 1 81 81 PRO CD C 13 50.031 0.1 . 1 . . . . . 81 PRO CD . 28038 1 1004 . 1 . 1 82 82 GLY H H 1 8.858 0.01 . 1 . . . . . 82 GLY H . 28038 1 1005 . 1 . 1 82 82 GLY HA2 H 1 3.333 0.01 . . . . . . . 82 GLY HA2 . 28038 1 1006 . 1 . 1 82 82 GLY HA3 H 1 3.819 0.01 . . . . . . . 82 GLY HA3 . 28038 1 1007 . 1 . 1 82 82 GLY C C 13 177.255 0.15 . 1 . . . . . 82 GLY C . 28038 1 1008 . 1 . 1 82 82 GLY CA C 13 48.192 0.1 . 1 . . . . . 82 GLY CA . 28038 1 1009 . 1 . 1 82 82 GLY N N 15 106.889 0.1 . 1 . . . . . 82 GLY N . 28038 1 1010 . 1 . 1 83 83 HIS H H 1 7.837 0.01 . 1 . . . . . 83 HIS H . 28038 1 1011 . 1 . 1 83 83 HIS HA H 1 4.431 0.01 . 1 . . . . . 83 HIS HA . 28038 1 1012 . 1 . 1 83 83 HIS HB2 H 1 3.241 0.01 . . . . . . . 83 HIS HB2 . 28038 1 1013 . 1 . 1 83 83 HIS HB3 H 1 2.925 0.01 . . . . . . . 83 HIS HB3 . 28038 1 1014 . 1 . 1 83 83 HIS HD2 H 1 7.022 0.01 . 1 . . . . . 83 HIS HD2 . 28038 1 1015 . 1 . 1 83 83 HIS HE1 H 1 7.690 0.01 . 1 . . . . . 83 HIS HE1 . 28038 1 1016 . 1 . 1 83 83 HIS C C 13 176.502 0.15 . 1 . . . . . 83 HIS C . 28038 1 1017 . 1 . 1 83 83 HIS CA C 13 58.127 0.1 . 1 . . . . . 83 HIS CA . 28038 1 1018 . 1 . 1 83 83 HIS CB C 13 29.345 0.1 . 1 . . . . . 83 HIS CB . 28038 1 1019 . 1 . 1 83 83 HIS CD2 C 13 117.868 0.1 . 1 . . . . . 83 HIS CD2 . 28038 1 1020 . 1 . 1 83 83 HIS CE1 C 13 140.105 0.1 . 1 . . . . . 83 HIS CE1 . 28038 1 1021 . 1 . 1 83 83 HIS N N 15 116.225 0.1 . 1 . . . . . 83 HIS N . 28038 1 1022 . 1 . 1 84 84 GLU H H 1 7.489 0.01 . 1 . . . . . 84 GLU H . 28038 1 1023 . 1 . 1 84 84 GLU HA H 1 4.213 0.01 . 1 . . . . . 84 GLU HA . 28038 1 1024 . 1 . 1 84 84 GLU HB2 H 1 1.245 0.01 . . . . . . . 84 GLU HB2 . 28038 1 1025 . 1 . 1 84 84 GLU HB3 H 1 1.787 0.01 . . . . . . . 84 GLU HB3 . 28038 1 1026 . 1 . 1 84 84 GLU HG2 H 1 1.744 0.01 . . . . . . . 84 GLU HG2 . 28038 1 1027 . 1 . 1 84 84 GLU C C 13 172.554 0.15 . 1 . . . . . 84 GLU C . 28038 1 1028 . 1 . 1 84 84 GLU CA C 13 54.823 0.1 . 1 . . . . . 84 GLU CA . 28038 1 1029 . 1 . 1 84 84 GLU CB C 13 29.834 0.1 . 1 . . . . . 84 GLU CB . 28038 1 1030 . 1 . 1 84 84 GLU CG C 13 35.637 0.1 . 1 . . . . . 84 GLU CG . 28038 1 1031 . 1 . 1 84 84 GLU N N 15 121.21 0.1 . 1 . . . . . 84 GLU N . 28038 1 1032 . 1 . 1 85 85 ALA H H 1 7.526 0.01 . 1 . . . . . 85 ALA H . 28038 1 1033 . 1 . 1 85 85 ALA HA H 1 4.236 0.01 . 1 . . . . . 85 ALA HA . 28038 1 1034 . 1 . 1 85 85 ALA HB1 H 1 1.292 0.01 . 1 . . . . . 85 ALA MB . 28038 1 1035 . 1 . 1 85 85 ALA HB2 H 1 1.292 0.01 . 1 . . . . . 85 ALA MB . 28038 1 1036 . 1 . 1 85 85 ALA HB3 H 1 1.292 0.01 . 1 . . . . . 85 ALA MB . 28038 1 1037 . 1 . 1 85 85 ALA C C 13 176.381 0.15 . 1 . . . . . 85 ALA C . 28038 1 1038 . 1 . 1 85 85 ALA CA C 13 51.341 0.1 . 1 . . . . . 85 ALA CA . 28038 1 1039 . 1 . 1 85 85 ALA CB C 13 18.841 0.1 . 1 . . . . . 85 ALA CB . 28038 1 1040 . 1 . 1 85 85 ALA N N 15 124.54 0.1 . 1 . . . . . 85 ALA N . 28038 1 1041 . 1 . 1 86 86 TYR H H 1 9.195 0.01 . 1 . . . . . 86 TYR H . 28038 1 1042 . 1 . 1 86 86 TYR HA H 1 4.433 0.01 . 1 . . . . . 86 TYR HA . 28038 1 1043 . 1 . 1 86 86 TYR HB2 H 1 2.702 0.01 . . . . . . . 86 TYR HB2 . 28038 1 1044 . 1 . 1 86 86 TYR HB3 H 1 3.233 0.01 . . . . . . . 86 TYR HB3 . 28038 1 1045 . 1 . 1 86 86 TYR HD1 H 1 7.100 0.01 . . . . . . . 86 TYR HD1 . 28038 1 1046 . 1 . 1 86 86 TYR HD2 H 1 7.100 0.01 . . . . . . . 86 TYR HD2 . 28038 1 1047 . 1 . 1 86 86 TYR HE1 H 1 6.514 0.01 . . . . . . . 86 TYR HE1 . 28038 1 1048 . 1 . 1 86 86 TYR HE2 H 1 6.514 0.01 . . . . . . . 86 TYR HE2 . 28038 1 1049 . 1 . 1 86 86 TYR C C 13 176.409 0.15 . 1 . . . . . 86 TYR C . 28038 1 1050 . 1 . 1 86 86 TYR CA C 13 58.883 0.1 . 1 . . . . . 86 TYR CA . 28038 1 1051 . 1 . 1 86 86 TYR CB C 13 37.909 0.1 . 1 . . . . . 86 TYR CB . 28038 1 1052 . 1 . 1 86 86 TYR CD1 C 13 132.674 0.1 . . . . . . . 86 TYR CD1 . 28038 1 1053 . 1 . 1 86 86 TYR CD2 C 13 132.674 0.1 . . . . . . . 86 TYR CD2 . 28038 1 1054 . 1 . 1 86 86 TYR CE1 C 13 117.557 0.1 . . . . . . . 86 TYR CE1 . 28038 1 1055 . 1 . 1 86 86 TYR CE2 C 13 117.557 0.1 . . . . . . . 86 TYR CE2 . 28038 1 1056 . 1 . 1 86 86 TYR N N 15 122.197 0.1 . 1 . . . . . 86 TYR N . 28038 1 1057 . 1 . 1 87 87 GLY H H 1 8.472 0.01 . 1 . . . . . 87 GLY H . 28038 1 1058 . 1 . 1 87 87 GLY HA2 H 1 3.880 0.01 . . . . . . . 87 GLY HA2 . 28038 1 1059 . 1 . 1 87 87 GLY HA3 H 1 3.880 0.01 . . . . . . . 87 GLY HA3 . 28038 1 1060 . 1 . 1 87 87 GLY C C 13 175.921 0.15 . 1 . . . . . 87 GLY C . 28038 1 1061 . 1 . 1 87 87 GLY CA C 13 46.08 0.1 . 1 . . . . . 87 GLY CA . 28038 1 1062 . 1 . 1 87 87 GLY N N 15 108.995 0.1 . 1 . . . . . 87 GLY N . 28038 1 1063 . 1 . 1 88 88 SER HA H 1 4.103 0.01 . 1 . . . . . 88 SER HA . 28038 1 1064 . 1 . 1 88 88 SER HB2 H 1 3.717 0.01 . . . . . . . 88 SER HB2 . 28038 1 1065 . 1 . 1 88 88 SER HB3 H 1 3.791 0.01 . . . . . . . 88 SER HB3 . 28038 1 1066 . 1 . 1 88 88 SER C C 13 174.028 0.15 . 1 . . . . . 88 SER C . 28038 1 1067 . 1 . 1 88 88 SER CA C 13 60.431 0.1 . 1 . . . . . 88 SER CA . 28038 1 1068 . 1 . 1 88 88 SER CB C 13 62.944 0.1 . 1 . . . . . 88 SER CB . 28038 1 1069 . 1 . 1 89 89 ARG H H 1 7.791 0.01 . 1 . . . . . 89 ARG H . 28038 1 1070 . 1 . 1 89 89 ARG HA H 1 4.098 0.01 . 1 . . . . . 89 ARG HA . 28038 1 1071 . 1 . 1 89 89 ARG HB2 H 1 1.638 0.01 . . . . . . . 89 ARG HB2 . 28038 1 1072 . 1 . 1 89 89 ARG HB3 H 1 1.850 0.01 . . . . . . . 89 ARG HB3 . 28038 1 1073 . 1 . 1 89 89 ARG HG2 H 1 1.626 0.01 . . . . . . . 89 ARG HG2 . 28038 1 1074 . 1 . 1 89 89 ARG HG3 H 1 1.287 0.01 . . . . . . . 89 ARG HG3 . 28038 1 1075 . 1 . 1 89 89 ARG HD2 H 1 2.854 0.01 . . . . . . . 89 ARG HD2 . 28038 1 1076 . 1 . 1 89 89 ARG HD3 H 1 2.947 0.01 . . . . . . . 89 ARG HD3 . 28038 1 1077 . 1 . 1 89 89 ARG C C 13 178.508 0.15 . 1 . . . . . 89 ARG C . 28038 1 1078 . 1 . 1 89 89 ARG CA C 13 57.546 0.1 . 1 . . . . . 89 ARG CA . 28038 1 1079 . 1 . 1 89 89 ARG CB C 13 30.909 0.1 . 1 . . . . . 89 ARG CB . 28038 1 1080 . 1 . 1 89 89 ARG CG C 13 27.533 0.1 . 1 . . . . . 89 ARG CG . 28038 1 1081 . 1 . 1 89 89 ARG CD C 13 43.534 0.1 . 1 . . . . . 89 ARG CD . 28038 1 1082 . 1 . 1 89 89 ARG N N 15 117.55 0.1 . 1 . . . . . 89 ARG N . 28038 1 1083 . 1 . 1 90 90 GLY H H 1 7.030 0.01 . 1 . . . . . 90 GLY H . 28038 1 1084 . 1 . 1 90 90 GLY HA2 H 1 3.555 0.01 . . . . . . . 90 GLY HA2 . 28038 1 1085 . 1 . 1 90 90 GLY HA3 H 1 3.555 0.01 . . . . . . . 90 GLY HA3 . 28038 1 1086 . 1 . 1 90 90 GLY C C 13 171.733 0.15 . 1 . . . . . 90 GLY C . 28038 1 1087 . 1 . 1 90 90 GLY CA C 13 45.43 0.1 . 1 . . . . . 90 GLY CA . 28038 1 1088 . 1 . 1 90 90 GLY N N 15 103.649 0.1 . 1 . . . . . 90 GLY N . 28038 1 1089 . 1 . 1 91 91 PHE H H 1 8.848 0.01 . 1 . . . . . 91 PHE H . 28038 1 1090 . 1 . 1 91 91 PHE HA H 1 4.639 0.01 . 1 . . . . . 91 PHE HA . 28038 1 1091 . 1 . 1 91 91 PHE HB2 H 1 2.521 0.01 . . . . . . . 91 PHE HB2 . 28038 1 1092 . 1 . 1 91 91 PHE HB3 H 1 2.521 0.01 . . . . . . . 91 PHE HB3 . 28038 1 1093 . 1 . 1 91 91 PHE HD1 H 1 6.522 0.01 . . . . . . . 91 PHE HD1 . 28038 1 1094 . 1 . 1 91 91 PHE HD2 H 1 6.522 0.01 . . . . . . . 91 PHE HD2 . 28038 1 1095 . 1 . 1 91 91 PHE HE1 H 1 6.664 0.01 . . . . . . . 91 PHE HE1 . 28038 1 1096 . 1 . 1 91 91 PHE HE2 H 1 6.664 0.01 . . . . . . . 91 PHE HE2 . 28038 1 1097 . 1 . 1 91 91 PHE HZ H 1 6.758 0.01 . 1 . . . . . 91 PHE HZ . 28038 1 1098 . 1 . 1 91 91 PHE CA C 13 55.820 0.1 . 1 . . . . . 91 PHE CA . 28038 1 1099 . 1 . 1 91 91 PHE CB C 13 41.497 0.1 . 1 . . . . . 91 PHE CA . 28038 1 1100 . 1 . 1 91 91 PHE CD1 C 13 131.495 0.1 . . . . . . . 91 PHE CD1 . 28038 1 1101 . 1 . 1 91 91 PHE N N 15 123.488 0.1 . 1 . . . . . 91 PHE N . 28038 1 1102 . 1 . 1 92 92 PRO HA H 1 4.011 0.01 . 1 . . . . . 92 PRO HA . 28038 1 1103 . 1 . 1 92 92 PRO HB2 H 1 1.640 0.01 . . . . . . . 92 PRO HB2 . 28038 1 1104 . 1 . 1 92 92 PRO HB3 H 1 1.640 0.01 . . . . . . . 92 PRO HB3 . 28038 1 1105 . 1 . 1 92 92 PRO HG2 H 1 1.475 0.01 . . . . . . . 92 PRO HG2 . 28038 1 1106 . 1 . 1 92 92 PRO HG3 H 1 1.507 0.01 . . . . . . . 92 PRO HG3 . 28038 1 1107 . 1 . 1 92 92 PRO HD2 H 1 2.583 0.01 . . . . . . . 92 PRO HD2 . 28038 1 1108 . 1 . 1 92 92 PRO HD3 H 1 3.278 0.01 . . . . . . . 92 PRO HD3 . 28038 1 1109 . 1 . 1 92 92 PRO C C 13 175.229 0.15 . 1 . . . . . 92 PRO C . 28038 1 1110 . 1 . 1 92 92 PRO CA C 13 64.873 0.1 . 1 . . . . . 92 PRO CA . 28038 1 1111 . 1 . 1 92 92 PRO CB C 13 31.660 0.1 . 1 . . . . . 92 PRO CB . 28038 1 1112 . 1 . 1 92 92 PRO CG C 13 26.560 0.1 . 1 . . . . . 92 PRO CG . 28038 1 1113 . 1 . 1 92 92 PRO CD C 13 51.040 0.1 . 1 . . . . . 92 PRO CD . 28038 1 1114 . 1 . 1 93 93 GLY H H 1 8.453 0.1 . 1 . . . . . 93 GLY H . 28038 1 1115 . 1 . 1 93 93 GLY C C 13 173.662 0.15 . 1 . . . . . 93 GLY C . 28038 1 1116 . 1 . 1 93 93 GLY CA C 13 45.370 0.1 . 1 . . . . . 93 GLY CA . 28038 1 1117 . 1 . 1 93 93 GLY N N 15 110.843 0.1 . 1 . . . . . 93 GLY N . 28038 1 1118 . 1 . 1 94 94 LEU H H 1 8.106 0.01 . 1 . . . . . 94 LEU H . 28038 1 1119 . 1 . 1 94 94 LEU HA H 1 4.643 0.01 . 1 . . . . . 94 LEU HA . 28038 1 1120 . 1 . 1 94 94 LEU HB2 H 1 1.415 0.01 . . . . . . . 94 LEU HB2 . 28038 1 1121 . 1 . 1 94 94 LEU HB3 H 1 1.415 0.01 . . . . . . . 94 LEU HB3 . 28038 1 1122 . 1 . 1 94 94 LEU HG H 1 1.463 0.01 . 1 . . . . . 94 LEU HG . 28038 1 1123 . 1 . 1 94 94 LEU HD11 H 1 0.847 0.01 . . . . . . . 94 LEU MD1 . 28038 1 1124 . 1 . 1 94 94 LEU HD12 H 1 0.847 0.01 . . . . . . . 94 LEU MD1 . 28038 1 1125 . 1 . 1 94 94 LEU HD13 H 1 0.847 0.01 . . . . . . . 94 LEU MD1 . 28038 1 1126 . 1 . 1 94 94 LEU HD21 H 1 0.782 0.01 . . . . . . . 94 LEU MD2 . 28038 1 1127 . 1 . 1 94 94 LEU HD22 H 1 0.782 0.01 . . . . . . . 94 LEU MD2 . 28038 1 1128 . 1 . 1 94 94 LEU HD23 H 1 0.782 0.01 . . . . . . . 94 LEU MD2 . 28038 1 1129 . 1 . 1 94 94 LEU C C 13 175.153 0.15 . 1 . . . . . 94 LEU C . 28038 1 1130 . 1 . 1 94 94 LEU CA C 13 56.387 0.1 . 1 . . . . . 94 LEU CA . 28038 1 1131 . 1 . 1 94 94 LEU CB C 13 47.699 0.1 . 1 . . . . . 94 LEU CB . 28038 1 1132 . 1 . 1 94 94 LEU CG C 13 26.991 0.1 . 1 . . . . . 94 LEU CG . 28038 1 1133 . 1 . 1 94 94 LEU CD1 C 13 24.293 0.1 . . . . . . . 94 LEU CD1 . 28038 1 1134 . 1 . 1 94 94 LEU CD2 C 13 24.142 0.1 . . . . . . . 94 LEU CD2 . 28038 1 1135 . 1 . 1 94 94 LEU N N 15 120.143 0.1 . 1 . . . . . 94 LEU N . 28038 1 1136 . 1 . 1 95 95 ILE H H 1 8.540 0.01 . 1 . . . . . 95 ILE H . 28038 1 1137 . 1 . 1 95 95 ILE HA H 1 4.505 0.01 . 1 . . . . . 95 ILE HA . 28038 1 1138 . 1 . 1 95 95 ILE HB H 1 1.326 0.01 . 1 . . . . . 95 ILE HB . 28038 1 1139 . 1 . 1 95 95 ILE HG12 H 1 0.142 0.01 . . . . . . . 95 ILE HG12 . 28038 1 1140 . 1 . 1 95 95 ILE HG13 H 1 0.896 0.01 . . . . . . . 95 ILE HG13 . 28038 1 1141 . 1 . 1 95 95 ILE HG21 H 1 0.841 0.01 . 1 . . . . . 95 ILE MG . 28038 1 1142 . 1 . 1 95 95 ILE HG22 H 1 0.841 0.01 . 1 . . . . . 95 ILE MG . 28038 1 1143 . 1 . 1 95 95 ILE HG23 H 1 0.841 0.01 . 1 . . . . . 95 ILE MG . 28038 1 1144 . 1 . 1 95 95 ILE HD11 H 1 -0.089 0.01 . 1 . . . . . 95 ILE MD . 28038 1 1145 . 1 . 1 95 95 ILE HD12 H 1 -0.089 0.01 . 1 . . . . . 95 ILE MD . 28038 1 1146 . 1 . 1 95 95 ILE HD13 H 1 -0.089 0.01 . 1 . . . . . 95 ILE MD . 28038 1 1147 . 1 . 1 95 95 ILE C C 13 177.82 0.15 . 1 . . . . . 95 ILE C . 28038 1 1148 . 1 . 1 95 95 ILE CA C 13 57.363 0.1 . 1 . . . . . 95 ILE CA . 28038 1 1149 . 1 . 1 95 95 ILE CB C 13 41.751 0.1 . 1 . . . . . 95 ILE CB . 28038 1 1150 . 1 . 1 95 95 ILE CG1 C 13 26.624 0.1 . 1 . . . . . 95 ILE CG1 . 28038 1 1151 . 1 . 1 95 95 ILE CG2 C 13 17.948 0.1 . 1 . . . . . 95 ILE CG2 . 28038 1 1152 . 1 . 1 95 95 ILE CD1 C 13 13.243 0.1 . 1 . . . . . 95 ILE CD1 . 28038 1 1153 . 1 . 1 95 95 ILE N N 15 117.429 0.1 . 1 . . . . . 95 ILE N . 28038 1 1154 . 1 . 1 96 96 PRO HB2 H 1 1.820 0.01 . . . . . . . 96 PRO HB2 . 28038 1 1155 . 1 . 1 96 96 PRO HB3 H 1 2.369 0.01 . . . . . . . 96 PRO HB3 . 28038 1 1156 . 1 . 1 96 96 PRO HG2 H 1 1.934 0.01 . . . . . . . 96 PRO HG2 . 28038 1 1157 . 1 . 1 96 96 PRO HG3 H 1 1.934 0.01 . . . . . . . 96 PRO HG3 . 28038 1 1158 . 1 . 1 96 96 PRO HD2 H 1 3.426 0.01 . . . . . . . 96 PRO HD2 . 28038 1 1159 . 1 . 1 96 96 PRO HD3 H 1 3.787 0.01 . . . . . . . 96 PRO HD3 . 28038 1 1160 . 1 . 1 96 96 PRO CB C 13 30.919 0.1 . 1 . . . . . 96 PRO CB . 28038 1 1161 . 1 . 1 96 96 PRO CG C 13 26.570 0.1 . 1 . . . . . 96 PRO CG . 28038 1 1162 . 1 . 1 96 96 PRO CD C 13 50.779 0.1 . 1 . . . . . 96 PRO CD . 28038 1 1163 . 1 . 1 97 97 PRO HA H 1 3.725 0.01 . 1 . . . . . 97 PRO HA . 28038 1 1164 . 1 . 1 97 97 PRO HB2 H 1 1.570 0.01 . . . . . . . 97 PRO HB2 . 28038 1 1165 . 1 . 1 97 97 PRO HB3 H 1 2.349 0.01 . . . . . . . 97 PRO HB3 . 28038 1 1166 . 1 . 1 97 97 PRO HG2 H 1 1.960 0.01 . . . . . . . 97 PRO HG2 . 28038 1 1167 . 1 . 1 97 97 PRO HG3 H 1 1.790 0.01 . . . . . . . 97 PRO HG3 . 28038 1 1168 . 1 . 1 97 97 PRO C C 13 175.592 0.15 . 1 . . . . . 97 PRO C . 28038 1 1169 . 1 . 1 97 97 PRO CA C 13 63.972 0.1 . 1 . . . . . 97 PRO CA . 28038 1 1170 . 1 . 1 97 97 PRO CB C 13 32.409 0.1 . 1 . . . . . 97 PRO CB . 28038 1 1171 . 1 . 1 97 97 PRO CG C 13 27.995 0.1 . 1 . . . . . 97 PRO CG . 28038 1 1172 . 1 . 1 98 98 ASP H H 1 8.409 0.01 . 1 . . . . . 98 ASP HA . 28038 1 1173 . 1 . 1 98 98 ASP HA H 1 3.851 0.01 . 1 . . . . . 98 ASP HA . 28038 1 1174 . 1 . 1 98 98 ASP HB2 H 1 2.579 0.01 . . . . . . . 98 ASP HB2 . 28038 1 1175 . 1 . 1 98 98 ASP HB3 H 1 2.767 0.01 . . . . . . . 98 ASP HB3 . 28038 1 1176 . 1 . 1 98 98 ASP C C 13 174.541 0.15 . 1 . . . . . 98 ASP C . 28038 1 1177 . 1 . 1 98 98 ASP CA C 13 55.295 0.1 . 1 . . . . . 98 ASP CA . 28038 1 1178 . 1 . 1 98 98 ASP CB C 13 39.224 0.1 . 1 . . . . . 98 ASP CB . 28038 1 1179 . 1 . 1 98 98 ASP N N 15 118.755 0.1 . 1 . . . . . 98 ASP N . 28038 1 1180 . 1 . 1 99 99 ALA H H 1 7.290 0.01 . 1 . . . . . 99 ALA H . 28038 1 1181 . 1 . 1 99 99 ALA HA H 1 4.138 0.01 . 1 . . . . . 99 ALA HA . 28038 1 1182 . 1 . 1 99 99 ALA HB1 H 1 1.179 0.01 . 1 . . . . . 99 ALA MB . 28038 1 1183 . 1 . 1 99 99 ALA HB2 H 1 1.179 0.01 . 1 . . . . . 99 ALA MB . 28038 1 1184 . 1 . 1 99 99 ALA HB3 H 1 1.179 0.01 . 1 . . . . . 99 ALA MB . 28038 1 1185 . 1 . 1 99 99 ALA C C 13 176.534 0.15 . 1 . . . . . 99 ALA C . 28038 1 1186 . 1 . 1 99 99 ALA CA C 13 53.081 0.1 . 1 . . . . . 99 ALA CA . 28038 1 1187 . 1 . 1 99 99 ALA CB C 13 20.508 0.1 . 1 . . . . . 99 ALA CB . 28038 1 1188 . 1 . 1 99 99 ALA N N 15 122.656 0.1 . 1 . . . . . 99 ALA N . 28038 1 1189 . 1 . 1 100 100 THR H H 1 8.286 0.01 . 1 . . . . . 100 THR H . 28038 1 1190 . 1 . 1 100 100 THR HA H 1 4.704 0.01 . 1 . . . . . 100 THR HA . 28038 1 1191 . 1 . 1 100 100 THR HB H 1 3.871 0.01 . 1 . . . . . 100 THR HB . 28038 1 1192 . 1 . 1 100 100 THR HG21 H 1 0.885 0.01 . 1 . . . . . 100 THR MG . 28038 1 1193 . 1 . 1 100 100 THR HG22 H 1 0.885 0.01 . 1 . . . . . 100 THR MG . 28038 1 1194 . 1 . 1 100 100 THR HG23 H 1 0.885 0.01 . 1 . . . . . 100 THR MG . 28038 1 1195 . 1 . 1 100 100 THR C C 13 173.571 0.15 . 1 . . . . . 100 THR C . 28038 1 1196 . 1 . 1 100 100 THR CA C 13 62.170 0.1 . 1 . . . . . 100 THR CA . 28038 1 1197 . 1 . 1 100 100 THR CB C 13 69.316 0.1 . 1 . . . . . 100 THR CB . 28038 1 1198 . 1 . 1 100 100 THR CG2 C 13 22.347 0.1 . 1 . . . . . 100 THR CG2 . 28038 1 1199 . 1 . 1 100 100 THR N N 15 120.613 0.1 . 1 . . . . . 100 THR N . 28038 1 1200 . 1 . 1 101 101 LEU H H 1 9.072 0.01 . 1 . . . . . 101 LEU H . 28038 1 1201 . 1 . 1 101 101 LEU HA H 1 4.938 0.01 . 1 . . . . . 101 LEU HA . 28038 1 1202 . 1 . 1 101 101 LEU HB2 H 1 1.291 0.01 . . . . . . . 101 LEU HB2 . 28038 1 1203 . 1 . 1 101 101 LEU HB3 H 1 1.755 0.01 . . . . . . . 101 LEU HB3 . 28038 1 1204 . 1 . 1 101 101 LEU HG H 1 1.761 0.01 . 1 . . . . . 101 LEU HG . 28038 1 1205 . 1 . 1 101 101 LEU HD11 H 1 1.073 0.01 . . . . . . . 101 LEU MD1 . 28038 1 1206 . 1 . 1 101 101 LEU HD12 H 1 1.073 0.01 . . . . . . . 101 LEU MD1 . 28038 1 1207 . 1 . 1 101 101 LEU HD13 H 1 1.073 0.01 . . . . . . . 101 LEU MD1 . 28038 1 1208 . 1 . 1 101 101 LEU HD21 H 1 0.570 0.01 . . . . . . . 101 LEU MD2 . 28038 1 1209 . 1 . 1 101 101 LEU HD22 H 1 0.570 0.01 . . . . . . . 101 LEU MD2 . 28038 1 1210 . 1 . 1 101 101 LEU HD23 H 1 0.570 0.01 . . . . . . . 101 LEU MD2 . 28038 1 1211 . 1 . 1 101 101 LEU C C 13 174.622 0.15 . 1 . . . . . 101 LEU C . 28038 1 1212 . 1 . 1 101 101 LEU CA C 13 52.853 0.1 . 1 . . . . . 101 LEU CA . 28038 1 1213 . 1 . 1 101 101 LEU CB C 13 45.615 0.1 . 1 . . . . . 101 LEU CB . 28038 1 1214 . 1 . 1 101 101 LEU CG C 13 26.870 0.1 . 1 . . . . . 101 LEU CG . 28038 1 1215 . 1 . 1 101 101 LEU CD1 C 13 27.214 0.1 . . . . . . . 101 LEU CD1 . 28038 1 1216 . 1 . 1 101 101 LEU CD2 C 13 22.751 0.1 . . . . . . . 101 LEU CD2 . 28038 1 1217 . 1 . 1 101 101 LEU N N 15 125.563 0.1 . 1 . . . . . 101 LEU N . 28038 1 1218 . 1 . 1 102 102 ILE H H 1 8.770 0.01 . 1 . . . . . 102 ILE H . 28038 1 1219 . 1 . 1 102 102 ILE HA H 1 5.175 0.01 . 1 . . . . . 102 ILE HA . 28038 1 1220 . 1 . 1 102 102 ILE HB H 1 1.784 0.01 . 1 . . . . . 102 ILE HB . 28038 1 1221 . 1 . 1 102 102 ILE HG12 H 1 1.110 0.01 . . . . . . . 102 ILE HG12 . 28038 1 1222 . 1 . 1 102 102 ILE HG13 H 1 1.272 0.01 . . . . . . . 102 ILE HG13 . 28038 1 1223 . 1 . 1 102 102 ILE HG21 H 1 0.716 0.01 . 1 . . . . . 102 ILE MG . 28038 1 1224 . 1 . 1 102 102 ILE HG22 H 1 0.716 0.01 . 1 . . . . . 102 ILE MG . 28038 1 1225 . 1 . 1 102 102 ILE HG23 H 1 0.716 0.01 . 1 . . . . . 102 ILE MG . 28038 1 1226 . 1 . 1 102 102 ILE HD11 H 1 0.720 0.01 . 1 . . . . . 102 ILE MD . 28038 1 1227 . 1 . 1 102 102 ILE HD12 H 1 0.720 0.01 . 1 . . . . . 102 ILE MD . 28038 1 1228 . 1 . 1 102 102 ILE HD13 H 1 0.720 0.01 . 1 . . . . . 102 ILE MD . 28038 1 1229 . 1 . 1 102 102 ILE C C 13 176.223 0.15 . 1 . . . . . 102 ILE C . 28038 1 1230 . 1 . 1 102 102 ILE CA C 13 59.807 0.1 . 1 . . . . . 102 ILE CA . 28038 1 1231 . 1 . 1 102 102 ILE CB C 13 38.494 0.1 . 1 . . . . . 102 ILE CB . 28038 1 1232 . 1 . 1 102 102 ILE CG1 C 13 28.523 0.1 . 1 . . . . . 102 ILE CG1 . 28038 1 1233 . 1 . 1 102 102 ILE CG2 C 13 18.614 0.1 . 1 . . . . . 102 ILE CG2 . 28038 1 1234 . 1 . 1 102 102 ILE CD1 C 13 14.285 0.1 . 1 . . . . . 102 ILE CD1 . 28038 1 1235 . 1 . 1 102 102 ILE N N 15 122.101 0.1 . 1 . . . . . 102 ILE N . 28038 1 1236 . 1 . 1 103 103 PHE H H 1 9.707 0.01 . 1 . . . . . 103 PHE H . 28038 1 1237 . 1 . 1 103 103 PHE HA H 1 5.875 0.01 . 1 . . . . . 103 PHE HA . 28038 1 1238 . 1 . 1 103 103 PHE HB2 H 1 2.831 0.01 . . . . . . . 103 PHE HB2 . 28038 1 1239 . 1 . 1 103 103 PHE HB3 H 1 2.888 0.01 . . . . . . . 103 PHE HB3 . 28038 1 1240 . 1 . 1 103 103 PHE HD1 H 1 7.277 0.01 . . . . . . . 103 PHE HD1 . 28038 1 1241 . 1 . 1 103 103 PHE HD2 H 1 7.277 0.01 . . . . . . . 103 PHE HD2 . 28038 1 1242 . 1 . 1 103 103 PHE HE1 H 1 7.362 0.01 . . . . . . . 103 PHE HE1 . 28038 1 1243 . 1 . 1 103 103 PHE HE2 H 1 7.362 0.01 . . . . . . . 103 PHE HE2 . 28038 1 1244 . 1 . 1 103 103 PHE HZ H 1 7.569 0.01 . 1 . . . . . 103 PHE HZ . 28038 1 1245 . 1 . 1 103 103 PHE C C 13 174.687 0.15 . 1 . . . . . 103 PHE C . 28038 1 1246 . 1 . 1 103 103 PHE CA C 13 55.616 0.1 . 1 . . . . . 103 PHE CA . 28038 1 1247 . 1 . 1 103 103 PHE CB C 13 43.520 0.1 . 1 . . . . . 103 PHE CB . 28038 1 1248 . 1 . 1 103 103 PHE CD1 C 13 131.844 0.1 . . . . . . . 103 PHE CD1 . 28038 1 1249 . 1 . 1 103 103 PHE CD2 C 13 131.844 0.1 . . . . . . . 103 PHE CD2 . 28038 1 1250 . 1 . 1 103 103 PHE CE1 C 13 130.327 0.1 . . . . . . . 103 PHE CE1 . 28038 1 1251 . 1 . 1 103 103 PHE CE2 C 13 130.327 0.1 . . . . . . . 103 PHE CE2 . 28038 1 1252 . 1 . 1 103 103 PHE CZ C 13 131.106 0.1 . 1 . . . . . 103 PHE CZ . 28038 1 1253 . 1 . 1 103 103 PHE N N 15 122.509 0.1 . 1 . . . . . 103 PHE N . 28038 1 1254 . 1 . 1 104 104 ASP H H 1 8.766 0.01 . 1 . . . . . 104 ASP H . 28038 1 1255 . 1 . 1 104 104 ASP HA H 1 5.337 0.01 . 1 . . . . . 104 ASP HA . 28038 1 1256 . 1 . 1 104 104 ASP HB2 H 1 2.490 0.01 . . . . . . . 104 ASP HB2 . 28038 1 1257 . 1 . 1 104 104 ASP HB3 H 1 2.666 0.01 . . . . . . . 104 ASP HB3 . 28038 1 1258 . 1 . 1 104 104 ASP C C 13 176.514 0.15 . 1 . . . . . 104 ASP C . 28038 1 1259 . 1 . 1 104 104 ASP CA C 13 53.842 0.1 . 1 . . . . . 104 ASP CA . 28038 1 1260 . 1 . 1 104 104 ASP CB C 13 42.509 0.1 . 1 . . . . . 104 ASP CB . 28038 1 1261 . 1 . 1 104 104 ASP N N 15 124.879 0.1 . 1 . . . . . 104 ASP N . 28038 1 1262 . 1 . 1 105 105 VAL H H 1 9.338 0.01 . 1 . . . . . 105 VAL H . 28038 1 1263 . 1 . 1 105 105 VAL HA H 1 4.959 0.01 . 1 . . . . . 105 VAL HA . 28038 1 1264 . 1 . 1 105 105 VAL HB H 1 1.579 0.01 . 1 . . . . . 105 VAL HB . 28038 1 1265 . 1 . 1 105 105 VAL HG11 H 1 0.548 0.01 . . . . . . . 105 VAL MG1 . 28038 1 1266 . 1 . 1 105 105 VAL HG12 H 1 0.548 0.01 . . . . . . . 105 VAL MG1 . 28038 1 1267 . 1 . 1 105 105 VAL HG13 H 1 0.548 0.01 . . . . . . . 105 VAL MG1 . 28038 1 1268 . 1 . 1 105 105 VAL HG21 H 1 0.481 0.01 . . . . . . . 105 VAL MG2 . 28038 1 1269 . 1 . 1 105 105 VAL HG22 H 1 0.481 0.01 . . . . . . . 105 VAL MG2 . 28038 1 1270 . 1 . 1 105 105 VAL HG23 H 1 0.481 0.01 . . . . . . . 105 VAL MG2 . 28038 1 1271 . 1 . 1 105 105 VAL C C 13 172.77 0.15 . 1 . . . . . 105 VAL C . 28038 1 1272 . 1 . 1 105 105 VAL CA C 13 60.618 0.1 . 1 . . . . . 105 VAL CA . 28038 1 1273 . 1 . 1 105 105 VAL CB C 13 35.773 0.1 . 1 . . . . . 105 VAL CB . 28038 1 1274 . 1 . 1 105 105 VAL CG1 C 13 21.554 0.1 . . . . . . . 105 VAL CG1 . 28038 1 1275 . 1 . 1 105 105 VAL CG2 C 13 21.029 0.1 . . . . . . . 105 VAL CG2 . 28038 1 1276 . 1 . 1 105 105 VAL N N 15 123.489 0.1 . 1 . . . . . 105 VAL N . 28038 1 1277 . 1 . 1 106 106 GLU H H 1 8.947 0.01 . 1 . . . . . 106 GLU H . 28038 1 1278 . 1 . 1 106 106 GLU HA H 1 5.209 0.01 . 1 . . . . . 106 GLU HA . 28038 1 1279 . 1 . 1 106 106 GLU HB2 H 1 1.638 0.01 . . . . . . . 106 GLU HB2 . 28038 1 1280 . 1 . 1 106 106 GLU HB3 H 1 1.873 0.01 . . . . . . . 106 GLU HB3 . 28038 1 1281 . 1 . 1 106 106 GLU HG2 H 1 1.742 0.01 . . . . . . . 106 GLU HG2 . 28038 1 1282 . 1 . 1 106 106 GLU HG3 H 1 1.925 0.01 . . . . . . . 106 GLU HG3 . 28038 1 1283 . 1 . 1 106 106 GLU C C 13 175.319 0.15 . 1 . . . . . 106 GLU C . 28038 1 1284 . 1 . 1 106 106 GLU CA C 13 53.776 0.1 . 1 . . . . . 106 GLU CA . 28038 1 1285 . 1 . 1 106 106 GLU CB C 13 33.149 0.1 . 1 . . . . . 106 GLU CB . 28038 1 1286 . 1 . 1 106 106 GLU CG C 13 35.624 0.1 . 1 . . . . . 106 GLU CG . 28038 1 1287 . 1 . 1 106 106 GLU N N 15 126.641 0.1 . 1 . . . . . 106 GLU N . 28038 1 1288 . 1 . 1 107 107 LEU H H 1 8.226 0.01 . 1 . . . . . 107 LEU H . 28038 1 1289 . 1 . 1 107 107 LEU HA H 1 4.575 0.01 . 1 . . . . . 107 LEU HA . 28038 1 1290 . 1 . 1 107 107 LEU HB2 H 1 1.992 0.01 . . . . . . . 107 LEU HB2 . 28038 1 1291 . 1 . 1 107 107 LEU HB3 H 1 0.860 0.01 . . . . . . . 107 LEU HB3 . 28038 1 1292 . 1 . 1 107 107 LEU HD11 H 1 0.462 0.01 . . . . . . . 107 LEU MD1 . 28038 1 1293 . 1 . 1 107 107 LEU HD12 H 1 0.462 0.01 . . . . . . . 107 LEU MD1 . 28038 1 1294 . 1 . 1 107 107 LEU HD13 H 1 0.462 0.01 . . . . . . . 107 LEU MD1 . 28038 1 1295 . 1 . 1 107 107 LEU HD21 H 1 0.782 0.01 . . . . . . . 107 LEU MD2 . 28038 1 1296 . 1 . 1 107 107 LEU HD22 H 1 0.782 0.01 . . . . . . . 107 LEU MD2 . 28038 1 1297 . 1 . 1 107 107 LEU HD23 H 1 0.782 0.01 . . . . . . . 107 LEU MD2 . 28038 1 1298 . 1 . 1 107 107 LEU C C 13 174.416 0.15 . 1 . . . . . 107 LEU C . 28038 1 1299 . 1 . 1 107 107 LEU CA C 13 54.408 0.1 . 1 . . . . . 107 LEU CA . 28038 1 1300 . 1 . 1 107 107 LEU CB C 13 41.467 0.1 . 1 . . . . . 107 LEU CB . 28038 1 1301 . 1 . 1 107 107 LEU CD1 C 13 27.277 0.1 . . . . . . . 107 LEU CD1 . 28038 1 1302 . 1 . 1 107 107 LEU CD2 C 13 24.142 0.1 . . . . . . . 107 LEU CD2 . 28038 1 1303 . 1 . 1 107 107 LEU N N 15 126.993 0.1 . 1 . . . . . 107 LEU N . 28038 1 1304 . 1 . 1 108 108 LEU H H 1 8.720 0.01 . 1 . . . . . 108 LEU H . 28038 1 1305 . 1 . 1 108 108 LEU HA H 1 4.296 0.01 . 1 . . . . . 108 LEU HA . 28038 1 1306 . 1 . 1 108 108 LEU HB2 H 1 1.235 0.01 . . . . . . . 108 LEU HB2 . 28038 1 1307 . 1 . 1 108 108 LEU HB3 H 1 1.388 0.01 . . . . . . . 108 LEU HB3 . 28038 1 1308 . 1 . 1 108 108 LEU HG H 1 1.495 0.01 . 1 . . . . . 108 LEU HG . 28038 1 1309 . 1 . 1 108 108 LEU HD11 H 1 0.597 0.01 . . . . . . . 108 LEU MD1 . 28038 1 1310 . 1 . 1 108 108 LEU HD12 H 1 0.597 0.01 . . . . . . . 108 LEU MD1 . 28038 1 1311 . 1 . 1 108 108 LEU HD13 H 1 0.597 0.01 . . . . . . . 108 LEU MD1 . 28038 1 1312 . 1 . 1 108 108 LEU HD21 H 1 0.696 0.01 . . . . . . . 108 LEU MD2 . 28038 1 1313 . 1 . 1 108 108 LEU HD22 H 1 0.696 0.01 . . . . . . . 108 LEU MD2 . 28038 1 1314 . 1 . 1 108 108 LEU HD23 H 1 0.696 0.01 . . . . . . . 108 LEU MD2 . 28038 1 1315 . 1 . 1 108 108 LEU C C 13 177.962 0.15 . 1 . . . . . 108 LEU C . 28038 1 1316 . 1 . 1 108 108 LEU CA C 13 56.025 0.1 . 1 . . . . . 108 LEU CA . 28038 1 1317 . 1 . 1 108 108 LEU CB C 13 42.311 0.1 . 1 . . . . . 108 LEU CB . 28038 1 1318 . 1 . 1 108 108 LEU CG C 13 27.164 0.1 . 1 . . . . . 108 LEU CG . 28038 1 1319 . 1 . 1 108 108 LEU CD1 C 13 26.281 0.1 . . . . . . . 108 LEU CD1 . 28038 1 1320 . 1 . 1 108 108 LEU CD2 C 13 22.814 0.1 . . . . . . . 108 LEU CD2 . 28038 1 1321 . 1 . 1 108 108 LEU N N 15 129.354 0.1 . 1 . . . . . 108 LEU N . 28038 1 1322 . 1 . 1 109 109 GLY H H 1 7.509 0.01 . 1 . . . . . 109 GLY H . 28038 1 1323 . 1 . 1 109 109 GLY HA2 H 1 4.039 0.01 . . . . . . . 109 GLY HA2 . 28038 1 1324 . 1 . 1 109 109 GLY HA3 H 1 3.823 0.01 . . . . . . . 109 GLY HA3 . 28038 1 1325 . 1 . 1 109 109 GLY C C 13 170.146 0.15 . 1 . . . . . 109 GLY C . 28038 1 1326 . 1 . 1 109 109 GLY CA C 13 46.034 0.1 . 1 . . . . . 109 GLY CA . 28038 1 1327 . 1 . 1 109 109 GLY N N 15 103.463 0.1 . 1 . . . . . 109 GLY N . 28038 1 1328 . 1 . 1 110 110 VAL H H 1 8.085 0.1 . 1 . . . . . 110 VAL H . 28038 1 1329 . 1 . 1 110 110 VAL HA H 1 4.429 0.01 . 1 . . . . . 110 VAL HA . 28038 1 1330 . 1 . 1 110 110 VAL HB H 1 1.553 0.01 . 1 . . . . . 110 VAL HB . 28038 1 1331 . 1 . 1 110 110 VAL HG11 H 1 0.596 0.01 . . . . . . . 110 VAL MG1 . 28038 1 1332 . 1 . 1 110 110 VAL HG12 H 1 0.596 0.01 . . . . . . . 110 VAL MG1 . 28038 1 1333 . 1 . 1 110 110 VAL HG13 H 1 0.596 0.01 . . . . . . . 110 VAL MG1 . 28038 1 1334 . 1 . 1 110 110 VAL HG21 H 1 0.720 0.01 . . . . . . . 110 VAL MG2 . 28038 1 1335 . 1 . 1 110 110 VAL HG22 H 1 0.720 0.01 . . . . . . . 110 VAL MG2 . 28038 1 1336 . 1 . 1 110 110 VAL HG23 H 1 0.720 0.01 . . . . . . . 110 VAL MG2 . 28038 1 1337 . 1 . 1 110 110 VAL C C 13 173.741 0.15 . 1 . . . . . 110 VAL C . 28038 1 1338 . 1 . 1 110 110 VAL CA C 13 61.227 0.1 . 1 . . . . . 110 VAL CA . 28038 1 1339 . 1 . 1 110 110 VAL CB C 13 34.609 0.1 . 1 . . . . . 110 VAL CB . 28038 1 1340 . 1 . 1 110 110 VAL CG1 C 13 22.822 0.1 . . . . . . . 110 VAL CG1 . 28038 1 1341 . 1 . 1 110 110 VAL CG2 C 13 21.895 0.1 . . . . . . . 110 VAL CG2 . 28038 1 1342 . 1 . 1 110 110 VAL N N 15 119.827 0.1 . 1 . . . . . 110 VAL N . 28038 1 1343 . 1 . 1 111 111 ASN H H 1 8.994 0.01 . 1 . . . . . 111 ASN H . 28038 1 1344 . 1 . 1 111 111 ASN HA H 1 4.084 0.01 . 1 . . . . . 111 ASN HA . 28038 1 1345 . 1 . 1 111 111 ASN HB2 H 1 2.709 0.01 . . . . . . . 111 ASN HB2 . 28038 1 1346 . 1 . 1 111 111 ASN HB3 H 1 2.652 0.01 . . . . . . . 111 ASN HB3 . 28038 1 1347 . 1 . 1 111 111 ASN HD21 H 1 6.693 0.01 . . . . . . . 111 ASN HD21 . 28038 1 1348 . 1 . 1 111 111 ASN HD22 H 1 7.460 0.01 . . . . . . . 111 ASN HD22 . 28038 1 1349 . 1 . 1 111 111 ASN C C 13 178.654 0.15 . 1 . . . . . 111 ASN C . 28038 1 1350 . 1 . 1 111 111 ASN CA C 13 55.484 0.1 . 1 . . . . . 111 ASN CA . 28038 1 1351 . 1 . 1 111 111 ASN CB C 13 39.645 0.1 . 1 . . . . . 111 ASN CB . 28038 1 1352 . 1 . 1 111 111 ASN CG C 13 178.573 0.1 . 1 . . . . . 111 ASN CG . 28038 1 1353 . 1 . 1 111 111 ASN N N 15 127.853 0.1 . 1 . . . . . 111 ASN N . 28038 1 1354 . 1 . 1 111 111 ASN ND2 N 15 113.81 0.1 . 1 . . . . . 111 ASN ND2 . 28038 1 stop_ save_