data_11573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11573 _Entry.Title ; Solution structure of the human BMX SH2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-31 _Entry.Accession_date 2014-07-31 _Entry.Last_release_date 2014-08-03 _Entry.Original_release_date 2014-08-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 . _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 Takuma Kasai . . . . 11573 2 Seizo Koshiba . . . . 11573 3 Satoru Watanabe . . . . 11573 4 Takushi Harada . . . . 11573 5 Takanori Kigawa . . . . 11573 6 Shigeyuki Yokoyama . . . . 11573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 11573 '15N chemical shifts' 116 11573 '1H chemical shifts' 739 11573 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-12-11 . original BMRB . 11573 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EKX 'Entry containing three dimensional structure.' 11573 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s10858-015-9978-8 _Citation.PubMed_ID 26293126 _Citation.Full_citation . _Citation.Title ; Stable isotope labeling strategy based on coding theory. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 63 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 213 _Citation.Page_last 221 _Citation.Year 2015 _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 Takuma Kasai . . . . 11573 1 2 Seizo Koshiba . . . . 11573 1 3 Jun Yokoyama . . . . 11573 1 4 Takanori Kigawa . . . . 11573 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Amino-acid selective isotope labeling' 11573 1 SiCode 11573 1 'cell-free protein synthesis system' 11573 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11573 _Assembly.ID 1 _Assembly.Name 'BMX SH2 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BMX SH2 domain' 1 $BMX_SH2_domain A . yes native no no . . . 11573 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2EKX . . 'solution NMR' . 'three dimensional structure' . 11573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BMX_SH2_domain _Entity.Sf_category entity _Entity.Sf_framecode BMX_SH2_domain _Entity.Entry_ID 11573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BMX_SH2_domain _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 ; GSSGSSGLDDYDWFAGNISR SQSEQLLRQKGKEGAFMVRN SSQVGMYTVSLFSKAVNDKK GTVKHYHVHTNAENKLYLAE NYCFDSIPKLIHYHQHNSAG MITRLRHPVS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-7 represent a non-native cloning artifact. This is the SH2 domain of human BMX protein. ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'SH2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . yes UNP P51813 . BMX . . . . . . . . . . . . . . 11573 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 1 GLY . 11573 1 2 2 SER . 11573 1 3 3 SER . 11573 1 4 4 GLY . 11573 1 5 5 SER . 11573 1 6 6 SER . 11573 1 7 7 GLY . 11573 1 8 8 LEU . 11573 1 9 9 ASP . 11573 1 10 10 ASP . 11573 1 11 11 TYR . 11573 1 12 12 ASP . 11573 1 13 13 TRP . 11573 1 14 14 PHE . 11573 1 15 15 ALA . 11573 1 16 16 GLY . 11573 1 17 17 ASN . 11573 1 18 18 ILE . 11573 1 19 19 SER . 11573 1 20 20 ARG . 11573 1 21 21 SER . 11573 1 22 22 GLN . 11573 1 23 23 SER . 11573 1 24 24 GLU . 11573 1 25 25 GLN . 11573 1 26 26 LEU . 11573 1 27 27 LEU . 11573 1 28 28 ARG . 11573 1 29 29 GLN . 11573 1 30 30 LYS . 11573 1 31 31 GLY . 11573 1 32 32 LYS . 11573 1 33 33 GLU . 11573 1 34 34 GLY . 11573 1 35 35 ALA . 11573 1 36 36 PHE . 11573 1 37 37 MET . 11573 1 38 38 VAL . 11573 1 39 39 ARG . 11573 1 40 40 ASN . 11573 1 41 41 SER . 11573 1 42 42 SER . 11573 1 43 43 GLN . 11573 1 44 44 VAL . 11573 1 45 45 GLY . 11573 1 46 46 MET . 11573 1 47 47 TYR . 11573 1 48 48 THR . 11573 1 49 49 VAL . 11573 1 50 50 SER . 11573 1 51 51 LEU . 11573 1 52 52 PHE . 11573 1 53 53 SER . 11573 1 54 54 LYS . 11573 1 55 55 ALA . 11573 1 56 56 VAL . 11573 1 57 57 ASN . 11573 1 58 58 ASP . 11573 1 59 59 LYS . 11573 1 60 60 LYS . 11573 1 61 61 GLY . 11573 1 62 62 THR . 11573 1 63 63 VAL . 11573 1 64 64 LYS . 11573 1 65 65 HIS . 11573 1 66 66 TYR . 11573 1 67 67 HIS . 11573 1 68 68 VAL . 11573 1 69 69 HIS . 11573 1 70 70 THR . 11573 1 71 71 ASN . 11573 1 72 72 ALA . 11573 1 73 73 GLU . 11573 1 74 74 ASN . 11573 1 75 75 LYS . 11573 1 76 76 LEU . 11573 1 77 77 TYR . 11573 1 78 78 LEU . 11573 1 79 79 ALA . 11573 1 80 80 GLU . 11573 1 81 81 ASN . 11573 1 82 82 TYR . 11573 1 83 83 CYS . 11573 1 84 84 PHE . 11573 1 85 85 ASP . 11573 1 86 86 SER . 11573 1 87 87 ILE . 11573 1 88 88 PRO . 11573 1 89 89 LYS . 11573 1 90 90 LEU . 11573 1 91 91 ILE . 11573 1 92 92 HIS . 11573 1 93 93 TYR . 11573 1 94 94 HIS . 11573 1 95 95 GLN . 11573 1 96 96 HIS . 11573 1 97 97 ASN . 11573 1 98 98 SER . 11573 1 99 99 ALA . 11573 1 100 100 GLY . 11573 1 101 101 MET . 11573 1 102 102 ILE . 11573 1 103 103 THR . 11573 1 104 104 ARG . 11573 1 105 105 LEU . 11573 1 106 106 ARG . 11573 1 107 107 HIS . 11573 1 108 108 PRO . 11573 1 109 109 VAL . 11573 1 110 110 SER . 11573 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11573 1 . SER 2 2 11573 1 . SER 3 3 11573 1 . GLY 4 4 11573 1 . SER 5 5 11573 1 . SER 6 6 11573 1 . GLY 7 7 11573 1 . LEU 8 8 11573 1 . ASP 9 9 11573 1 . ASP 10 10 11573 1 . TYR 11 11 11573 1 . ASP 12 12 11573 1 . TRP 13 13 11573 1 . PHE 14 14 11573 1 . ALA 15 15 11573 1 . GLY 16 16 11573 1 . ASN 17 17 11573 1 . ILE 18 18 11573 1 . SER 19 19 11573 1 . ARG 20 20 11573 1 . SER 21 21 11573 1 . GLN 22 22 11573 1 . SER 23 23 11573 1 . GLU 24 24 11573 1 . GLN 25 25 11573 1 . LEU 26 26 11573 1 . LEU 27 27 11573 1 . ARG 28 28 11573 1 . GLN 29 29 11573 1 . LYS 30 30 11573 1 . GLY 31 31 11573 1 . LYS 32 32 11573 1 . GLU 33 33 11573 1 . GLY 34 34 11573 1 . ALA 35 35 11573 1 . PHE 36 36 11573 1 . MET 37 37 11573 1 . VAL 38 38 11573 1 . ARG 39 39 11573 1 . ASN 40 40 11573 1 . SER 41 41 11573 1 . SER 42 42 11573 1 . GLN 43 43 11573 1 . VAL 44 44 11573 1 . GLY 45 45 11573 1 . MET 46 46 11573 1 . TYR 47 47 11573 1 . THR 48 48 11573 1 . VAL 49 49 11573 1 . SER 50 50 11573 1 . LEU 51 51 11573 1 . PHE 52 52 11573 1 . SER 53 53 11573 1 . LYS 54 54 11573 1 . ALA 55 55 11573 1 . VAL 56 56 11573 1 . ASN 57 57 11573 1 . ASP 58 58 11573 1 . LYS 59 59 11573 1 . LYS 60 60 11573 1 . GLY 61 61 11573 1 . THR 62 62 11573 1 . VAL 63 63 11573 1 . LYS 64 64 11573 1 . HIS 65 65 11573 1 . TYR 66 66 11573 1 . HIS 67 67 11573 1 . VAL 68 68 11573 1 . HIS 69 69 11573 1 . THR 70 70 11573 1 . ASN 71 71 11573 1 . ALA 72 72 11573 1 . GLU 73 73 11573 1 . ASN 74 74 11573 1 . LYS 75 75 11573 1 . LEU 76 76 11573 1 . TYR 77 77 11573 1 . LEU 78 78 11573 1 . ALA 79 79 11573 1 . GLU 80 80 11573 1 . ASN 81 81 11573 1 . TYR 82 82 11573 1 . CYS 83 83 11573 1 . PHE 84 84 11573 1 . ASP 85 85 11573 1 . SER 86 86 11573 1 . ILE 87 87 11573 1 . PRO 88 88 11573 1 . LYS 89 89 11573 1 . LEU 90 90 11573 1 . ILE 91 91 11573 1 . HIS 92 92 11573 1 . TYR 93 93 11573 1 . HIS 94 94 11573 1 . GLN 95 95 11573 1 . HIS 96 96 11573 1 . ASN 97 97 11573 1 . SER 98 98 11573 1 . ALA 99 99 11573 1 . GLY 100 100 11573 1 . MET 101 101 11573 1 . ILE 102 102 11573 1 . THR 103 103 11573 1 . ARG 104 104 11573 1 . LEU 105 105 11573 1 . ARG 106 106 11573 1 . HIS 107 107 11573 1 . PRO 108 108 11573 1 . VAL 109 109 11573 1 . SER 110 110 11573 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 11573 _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 $BMX_SH2_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11573 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 11573 _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 $BMX_SH2_domain . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . P061225-65 . . . 11573 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11573 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'BMX SH2 domain' '[U-13C; U-15N]' . . 1 $BMX_SH2_domain . protein 1.13 . . mM . . . . 11573 1 2 Tris-Cl [U-2H] . . . . . buffer 20 . . mM . . . . 11573 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11573 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 11573 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% (w/v)' . . . . 11573 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11573 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11573 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11573 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 11573 1 pH 7.0 . pH 11573 1 pressure 1 . atm 11573 1 temperature 296 . K 11573 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11573 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11573 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11573 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11573 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 20031121 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11573 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11573 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11573 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11573 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11573 3 'peak picking' 11573 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11573 _Software.ID 4 _Software.Type . _Software.Name Kujira _Software.Version 0.9810 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi' . . 11573 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11573 4 'data analysis' 11573 4 'peak picking' 11573 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11573 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version 2.0.17 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11573 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11573 5 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 11573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11573 _NMR_spectrometer_list.ID 1 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 . 800 . . . 11573 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 11573 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11573 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11573 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 11573 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.792 internal indirect 0.251449530 . . . . . 11573 1 H 1 water protons . . . . ppm 4.792 internal direct 1.0 . . . . . 11573 1 N 15 water protons . . . . ppm 4.792 internal indirect 0.101329118 . . . . . 11573 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 11573 _Assigned_chem_shift_list.ID 1 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11573 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11573 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER HA H 1 4.517 0.030 . 1 . . . . . 3 SER HA . 11573 1 2 . 1 1 3 3 SER HB2 H 1 3.928 0.030 . 1 . . . . . 3 SER HB2 . 11573 1 3 . 1 1 3 3 SER HB3 H 1 3.928 0.030 . 1 . . . . . 3 SER HB3 . 11573 1 4 . 1 1 3 3 SER C C 13 175.171 0.300 . 1 . . . . . 3 SER C . 11573 1 5 . 1 1 3 3 SER CA C 13 58.802 0.300 . 1 . . . . . 3 SER CA . 11573 1 6 . 1 1 3 3 SER CB C 13 63.595 0.300 . 1 . . . . . 3 SER CB . 11573 1 7 . 1 1 4 4 GLY H H 1 8.523 0.030 . 1 . . . . . 4 GLY H . 11573 1 8 . 1 1 4 4 GLY HA2 H 1 4.101 0.030 . 2 . . . . . 4 GLY HA2 . 11573 1 9 . 1 1 4 4 GLY HA3 H 1 4.028 0.030 . 2 . . . . . 4 GLY HA3 . 11573 1 10 . 1 1 4 4 GLY C C 13 174.455 0.300 . 1 . . . . . 4 GLY C . 11573 1 11 . 1 1 4 4 GLY CA C 13 45.510 0.300 . 1 . . . . . 4 GLY CA . 11573 1 12 . 1 1 4 4 GLY N N 15 111.084 0.300 . 1 . . . . . 4 GLY N . 11573 1 13 . 1 1 5 5 SER H H 1 8.366 0.030 . 1 . . . . . 5 SER H . 11573 1 14 . 1 1 5 5 SER HA H 1 4.569 0.030 . 1 . . . . . 5 SER HA . 11573 1 15 . 1 1 5 5 SER HB2 H 1 3.937 0.030 . 2 . . . . . 5 SER HB2 . 11573 1 16 . 1 1 5 5 SER HB3 H 1 3.878 0.030 . 2 . . . . . 5 SER HB3 . 11573 1 17 . 1 1 5 5 SER C C 13 175.025 0.300 . 1 . . . . . 5 SER C . 11573 1 18 . 1 1 5 5 SER CA C 13 58.302 0.300 . 1 . . . . . 5 SER CA . 11573 1 19 . 1 1 5 5 SER CB C 13 63.927 0.300 . 1 . . . . . 5 SER CB . 11573 1 20 . 1 1 5 5 SER N N 15 115.928 0.300 . 1 . . . . . 5 SER N . 11573 1 21 . 1 1 6 6 SER H H 1 8.610 0.030 . 1 . . . . . 6 SER H . 11573 1 22 . 1 1 6 6 SER HA H 1 4.460 0.030 . 1 . . . . . 6 SER HA . 11573 1 23 . 1 1 6 6 SER HB2 H 1 3.973 0.030 . 2 . . . . . 6 SER HB2 . 11573 1 24 . 1 1 6 6 SER HB3 H 1 3.901 0.030 . 2 . . . . . 6 SER HB3 . 11573 1 25 . 1 1 6 6 SER C C 13 175.207 0.300 . 1 . . . . . 6 SER C . 11573 1 26 . 1 1 6 6 SER CA C 13 59.059 0.300 . 1 . . . . . 6 SER CA . 11573 1 27 . 1 1 6 6 SER CB C 13 64.010 0.300 . 1 . . . . . 6 SER CB . 11573 1 28 . 1 1 6 6 SER N N 15 118.186 0.300 . 1 . . . . . 6 SER N . 11573 1 29 . 1 1 7 7 GLY H H 1 8.432 0.030 . 1 . . . . . 7 GLY H . 11573 1 30 . 1 1 7 7 GLY HA2 H 1 4.027 0.030 . 2 . . . . . 7 GLY HA2 . 11573 1 31 . 1 1 7 7 GLY HA3 H 1 3.953 0.030 . 2 . . . . . 7 GLY HA3 . 11573 1 32 . 1 1 7 7 GLY C C 13 175.256 0.300 . 1 . . . . . 7 GLY C . 11573 1 33 . 1 1 7 7 GLY CA C 13 45.655 0.300 . 1 . . . . . 7 GLY CA . 11573 1 34 . 1 1 7 7 GLY N N 15 110.541 0.300 . 1 . . . . . 7 GLY N . 11573 1 35 . 1 1 8 8 LEU H H 1 8.107 0.030 . 1 . . . . . 8 LEU H . 11573 1 36 . 1 1 8 8 LEU HA H 1 4.209 0.030 . 1 . . . . . 8 LEU HA . 11573 1 37 . 1 1 8 8 LEU HB2 H 1 0.420 0.030 . 2 . . . . . 8 LEU HB2 . 11573 1 38 . 1 1 8 8 LEU HB3 H 1 0.615 0.030 . 2 . . . . . 8 LEU HB3 . 11573 1 39 . 1 1 8 8 LEU HD11 H 1 0.672 0.030 . 2 . . . . . 8 LEU MD1 . 11573 1 40 . 1 1 8 8 LEU HD12 H 1 0.672 0.030 . 2 . . . . . 8 LEU MD1 . 11573 1 41 . 1 1 8 8 LEU HD13 H 1 0.672 0.030 . 2 . . . . . 8 LEU MD1 . 11573 1 42 . 1 1 8 8 LEU HD21 H 1 0.336 0.030 . 2 . . . . . 8 LEU MD2 . 11573 1 43 . 1 1 8 8 LEU HD22 H 1 0.336 0.030 . 2 . . . . . 8 LEU MD2 . 11573 1 44 . 1 1 8 8 LEU HD23 H 1 0.336 0.030 . 2 . . . . . 8 LEU MD2 . 11573 1 45 . 1 1 8 8 LEU HG H 1 1.294 0.030 . 1 . . . . . 8 LEU HG . 11573 1 46 . 1 1 8 8 LEU C C 13 176.239 0.300 . 1 . . . . . 8 LEU C . 11573 1 47 . 1 1 8 8 LEU CA C 13 55.479 0.300 . 1 . . . . . 8 LEU CA . 11573 1 48 . 1 1 8 8 LEU CB C 13 40.281 0.300 . 1 . . . . . 8 LEU CB . 11573 1 49 . 1 1 8 8 LEU CD1 C 13 22.954 0.300 . 2 . . . . . 8 LEU CD1 . 11573 1 50 . 1 1 8 8 LEU CD2 C 13 26.170 0.300 . 2 . . . . . 8 LEU CD2 . 11573 1 51 . 1 1 8 8 LEU CG C 13 26.251 0.300 . 1 . . . . . 8 LEU CG . 11573 1 52 . 1 1 8 8 LEU N N 15 120.168 0.300 . 1 . . . . . 8 LEU N . 11573 1 53 . 1 1 9 9 ASP H H 1 7.766 0.030 . 1 . . . . . 9 ASP H . 11573 1 54 . 1 1 9 9 ASP HA H 1 4.391 0.030 . 1 . . . . . 9 ASP HA . 11573 1 55 . 1 1 9 9 ASP HB2 H 1 2.559 0.030 . 2 . . . . . 9 ASP HB2 . 11573 1 56 . 1 1 9 9 ASP HB3 H 1 2.699 0.030 . 2 . . . . . 9 ASP HB3 . 11573 1 57 . 1 1 9 9 ASP C C 13 176.288 0.300 . 1 . . . . . 9 ASP C . 11573 1 58 . 1 1 9 9 ASP CA C 13 56.467 0.300 . 1 . . . . . 9 ASP CA . 11573 1 59 . 1 1 9 9 ASP CB C 13 40.692 0.300 . 1 . . . . . 9 ASP CB . 11573 1 60 . 1 1 9 9 ASP N N 15 113.397 0.300 . 1 . . . . . 9 ASP N . 11573 1 61 . 1 1 10 10 ASP H H 1 7.733 0.030 . 1 . . . . . 10 ASP H . 11573 1 62 . 1 1 10 10 ASP HA H 1 4.375 0.030 . 1 . . . . . 10 ASP HA . 11573 1 63 . 1 1 10 10 ASP HB2 H 1 2.059 0.030 . 2 . . . . . 10 ASP HB2 . 11573 1 64 . 1 1 10 10 ASP HB3 H 1 2.335 0.030 . 2 . . . . . 10 ASP HB3 . 11573 1 65 . 1 1 10 10 ASP C C 13 175.960 0.300 . 1 . . . . . 10 ASP C . 11573 1 66 . 1 1 10 10 ASP CA C 13 54.887 0.300 . 1 . . . . . 10 ASP CA . 11573 1 67 . 1 1 10 10 ASP CB C 13 40.488 0.300 . 1 . . . . . 10 ASP CB . 11573 1 68 . 1 1 10 10 ASP N N 15 115.821 0.300 . 1 . . . . . 10 ASP N . 11573 1 69 . 1 1 11 11 TYR H H 1 7.402 0.030 . 1 . . . . . 11 TYR H . 11573 1 70 . 1 1 11 11 TYR HA H 1 4.194 0.030 . 1 . . . . . 11 TYR HA . 11573 1 71 . 1 1 11 11 TYR HB2 H 1 1.435 0.030 . 1 . . . . . 11 TYR HB2 . 11573 1 72 . 1 1 11 11 TYR HB3 H 1 0.658 0.030 . 1 . . . . . 11 TYR HB3 . 11573 1 73 . 1 1 11 11 TYR HD1 H 1 6.942 0.030 . 1 . . . . . 11 TYR HD1 . 11573 1 74 . 1 1 11 11 TYR HD2 H 1 6.942 0.030 . 1 . . . . . 11 TYR HD2 . 11573 1 75 . 1 1 11 11 TYR HE1 H 1 6.809 0.030 . 1 . . . . . 11 TYR HE1 . 11573 1 76 . 1 1 11 11 TYR HE2 H 1 6.809 0.030 . 1 . . . . . 11 TYR HE2 . 11573 1 77 . 1 1 11 11 TYR C C 13 177.198 0.300 . 1 . . . . . 11 TYR C . 11573 1 78 . 1 1 11 11 TYR CA C 13 58.150 0.300 . 1 . . . . . 11 TYR CA . 11573 1 79 . 1 1 11 11 TYR CB C 13 37.769 0.300 . 1 . . . . . 11 TYR CB . 11573 1 80 . 1 1 11 11 TYR CD1 C 13 133.208 0.300 . 1 . . . . . 11 TYR CD1 . 11573 1 81 . 1 1 11 11 TYR CD2 C 13 133.208 0.300 . 1 . . . . . 11 TYR CD2 . 11573 1 82 . 1 1 11 11 TYR CE1 C 13 117.576 0.300 . 1 . . . . . 11 TYR CE1 . 11573 1 83 . 1 1 11 11 TYR CE2 C 13 117.576 0.300 . 1 . . . . . 11 TYR CE2 . 11573 1 84 . 1 1 11 11 TYR N N 15 118.510 0.300 . 1 . . . . . 11 TYR N . 11573 1 85 . 1 1 12 12 ASP H H 1 8.701 0.030 . 1 . . . . . 12 ASP H . 11573 1 86 . 1 1 12 12 ASP HA H 1 4.159 0.030 . 1 . . . . . 12 ASP HA . 11573 1 87 . 1 1 12 12 ASP HB2 H 1 2.680 0.030 . 1 . . . . . 12 ASP HB2 . 11573 1 88 . 1 1 12 12 ASP HB3 H 1 2.680 0.030 . 1 . . . . . 12 ASP HB3 . 11573 1 89 . 1 1 12 12 ASP C C 13 175.826 0.300 . 1 . . . . . 12 ASP C . 11573 1 90 . 1 1 12 12 ASP CA C 13 55.770 0.300 . 1 . . . . . 12 ASP CA . 11573 1 91 . 1 1 12 12 ASP CB C 13 39.334 0.300 . 1 . . . . . 12 ASP CB . 11573 1 92 . 1 1 12 12 ASP N N 15 123.187 0.300 . 1 . . . . . 12 ASP N . 11573 1 93 . 1 1 13 13 TRP H H 1 6.540 0.030 . 1 . . . . . 13 TRP H . 11573 1 94 . 1 1 13 13 TRP HA H 1 4.483 0.030 . 1 . . . . . 13 TRP HA . 11573 1 95 . 1 1 13 13 TRP HB2 H 1 3.510 0.030 . 1 . . . . . 13 TRP HB2 . 11573 1 96 . 1 1 13 13 TRP HB3 H 1 2.516 0.030 . 1 . . . . . 13 TRP HB3 . 11573 1 97 . 1 1 13 13 TRP HD1 H 1 7.484 0.030 . 1 . . . . . 13 TRP HD1 . 11573 1 98 . 1 1 13 13 TRP HE1 H 1 10.937 0.030 . 1 . . . . . 13 TRP HE1 . 11573 1 99 . 1 1 13 13 TRP HE3 H 1 7.315 0.030 . 1 . . . . . 13 TRP HE3 . 11573 1 100 . 1 1 13 13 TRP HH2 H 1 6.182 0.030 . 1 . . . . . 13 TRP HH2 . 11573 1 101 . 1 1 13 13 TRP HZ2 H 1 6.470 0.030 . 1 . . . . . 13 TRP HZ2 . 11573 1 102 . 1 1 13 13 TRP HZ3 H 1 6.636 0.030 . 1 . . . . . 13 TRP HZ3 . 11573 1 103 . 1 1 13 13 TRP C C 13 175.280 0.300 . 1 . . . . . 13 TRP C . 11573 1 104 . 1 1 13 13 TRP CA C 13 53.032 0.300 . 1 . . . . . 13 TRP CA . 11573 1 105 . 1 1 13 13 TRP CB C 13 31.972 0.300 . 1 . . . . . 13 TRP CB . 11573 1 106 . 1 1 13 13 TRP CD1 C 13 130.386 0.300 . 1 . . . . . 13 TRP CD1 . 11573 1 107 . 1 1 13 13 TRP CE3 C 13 121.494 0.300 . 1 . . . . . 13 TRP CE3 . 11573 1 108 . 1 1 13 13 TRP CH2 C 13 123.319 0.300 . 1 . . . . . 13 TRP CH2 . 11573 1 109 . 1 1 13 13 TRP CZ2 C 13 115.209 0.300 . 1 . . . . . 13 TRP CZ2 . 11573 1 110 . 1 1 13 13 TRP CZ3 C 13 119.641 0.300 . 1 . . . . . 13 TRP CZ3 . 11573 1 111 . 1 1 13 13 TRP N N 15 111.105 0.300 . 1 . . . . . 13 TRP N . 11573 1 112 . 1 1 13 13 TRP NE1 N 15 133.469 0.300 . 1 . . . . . 13 TRP NE1 . 11573 1 113 . 1 1 14 14 PHE H H 1 7.600 0.030 . 1 . . . . . 14 PHE H . 11573 1 114 . 1 1 14 14 PHE HA H 1 5.281 0.030 . 1 . . . . . 14 PHE HA . 11573 1 115 . 1 1 14 14 PHE HB2 H 1 2.719 0.030 . 2 . . . . . 14 PHE HB2 . 11573 1 116 . 1 1 14 14 PHE HB3 H 1 3.152 0.030 . 2 . . . . . 14 PHE HB3 . 11573 1 117 . 1 1 14 14 PHE HD1 H 1 7.201 0.030 . 1 . . . . . 14 PHE HD1 . 11573 1 118 . 1 1 14 14 PHE HD2 H 1 7.201 0.030 . 1 . . . . . 14 PHE HD2 . 11573 1 119 . 1 1 14 14 PHE HE1 H 1 7.414 0.030 . 1 . . . . . 14 PHE HE1 . 11573 1 120 . 1 1 14 14 PHE HE2 H 1 7.414 0.030 . 1 . . . . . 14 PHE HE2 . 11573 1 121 . 1 1 14 14 PHE HZ H 1 7.656 0.030 . 1 . . . . . 14 PHE HZ . 11573 1 122 . 1 1 14 14 PHE C C 13 173.994 0.300 . 1 . . . . . 14 PHE C . 11573 1 123 . 1 1 14 14 PHE CA C 13 58.327 0.300 . 1 . . . . . 14 PHE CA . 11573 1 124 . 1 1 14 14 PHE CB C 13 39.087 0.300 . 1 . . . . . 14 PHE CB . 11573 1 125 . 1 1 14 14 PHE CD1 C 13 132.683 0.300 . 1 . . . . . 14 PHE CD1 . 11573 1 126 . 1 1 14 14 PHE CD2 C 13 132.683 0.300 . 1 . . . . . 14 PHE CD2 . 11573 1 127 . 1 1 14 14 PHE CE1 C 13 131.471 0.300 . 1 . . . . . 14 PHE CE1 . 11573 1 128 . 1 1 14 14 PHE CE2 C 13 131.471 0.300 . 1 . . . . . 14 PHE CE2 . 11573 1 129 . 1 1 14 14 PHE CZ C 13 129.996 0.300 . 1 . . . . . 14 PHE CZ . 11573 1 130 . 1 1 14 14 PHE N N 15 121.495 0.300 . 1 . . . . . 14 PHE N . 11573 1 131 . 1 1 15 15 ALA H H 1 8.929 0.030 . 1 . . . . . 15 ALA H . 11573 1 132 . 1 1 15 15 ALA HA H 1 4.414 0.030 . 1 . . . . . 15 ALA HA . 11573 1 133 . 1 1 15 15 ALA HB1 H 1 1.383 0.030 . 1 . . . . . 15 ALA MB . 11573 1 134 . 1 1 15 15 ALA HB2 H 1 1.383 0.030 . 1 . . . . . 15 ALA MB . 11573 1 135 . 1 1 15 15 ALA HB3 H 1 1.383 0.030 . 1 . . . . . 15 ALA MB . 11573 1 136 . 1 1 15 15 ALA C C 13 177.453 0.300 . 1 . . . . . 15 ALA C . 11573 1 137 . 1 1 15 15 ALA CA C 13 51.154 0.300 . 1 . . . . . 15 ALA CA . 11573 1 138 . 1 1 15 15 ALA CB C 13 22.147 0.300 . 1 . . . . . 15 ALA CB . 11573 1 139 . 1 1 15 15 ALA N N 15 130.542 0.300 . 1 . . . . . 15 ALA N . 11573 1 140 . 1 1 16 16 GLY HA2 H 1 3.308 0.030 . 2 . . . . . 16 GLY HA2 . 11573 1 141 . 1 1 16 16 GLY HA3 H 1 3.680 0.030 . 2 . . . . . 16 GLY HA3 . 11573 1 142 . 1 1 16 16 GLY C C 13 174.370 0.300 . 1 . . . . . 16 GLY C . 11573 1 143 . 1 1 16 16 GLY CA C 13 47.285 0.300 . 1 . . . . . 16 GLY CA . 11573 1 144 . 1 1 17 17 ASN H H 1 8.651 0.030 . 1 . . . . . 17 ASN H . 11573 1 145 . 1 1 17 17 ASN HA H 1 4.889 0.030 . 1 . . . . . 17 ASN HA . 11573 1 146 . 1 1 17 17 ASN HB2 H 1 2.651 0.030 . 2 . . . . . 17 ASN HB2 . 11573 1 147 . 1 1 17 17 ASN HB3 H 1 2.942 0.030 . 2 . . . . . 17 ASN HB3 . 11573 1 148 . 1 1 17 17 ASN HD21 H 1 7.577 0.030 . 2 . . . . . 17 ASN HD21 . 11573 1 149 . 1 1 17 17 ASN HD22 H 1 6.852 0.030 . 2 . . . . . 17 ASN HD22 . 11573 1 150 . 1 1 17 17 ASN C C 13 174.637 0.300 . 1 . . . . . 17 ASN C . 11573 1 151 . 1 1 17 17 ASN CA C 13 52.864 0.300 . 1 . . . . . 17 ASN CA . 11573 1 152 . 1 1 17 17 ASN CB C 13 37.398 0.300 . 1 . . . . . 17 ASN CB . 11573 1 153 . 1 1 17 17 ASN N N 15 123.825 0.300 . 1 . . . . . 17 ASN N . 11573 1 154 . 1 1 17 17 ASN ND2 N 15 111.821 0.300 . 1 . . . . . 17 ASN ND2 . 11573 1 155 . 1 1 18 18 ILE H H 1 7.210 0.030 . 1 . . . . . 18 ILE H . 11573 1 156 . 1 1 18 18 ILE HA H 1 4.445 0.030 . 1 . . . . . 18 ILE HA . 11573 1 157 . 1 1 18 18 ILE HB H 1 1.789 0.030 . 1 . . . . . 18 ILE HB . 11573 1 158 . 1 1 18 18 ILE HD11 H 1 0.686 0.030 . 1 . . . . . 18 ILE MD . 11573 1 159 . 1 1 18 18 ILE HD12 H 1 0.686 0.030 . 1 . . . . . 18 ILE MD . 11573 1 160 . 1 1 18 18 ILE HD13 H 1 0.686 0.030 . 1 . . . . . 18 ILE MD . 11573 1 161 . 1 1 18 18 ILE HG12 H 1 1.072 0.030 . 2 . . . . . 18 ILE HG12 . 11573 1 162 . 1 1 18 18 ILE HG13 H 1 1.336 0.030 . 2 . . . . . 18 ILE HG13 . 11573 1 163 . 1 1 18 18 ILE HG21 H 1 0.839 0.030 . 1 . . . . . 18 ILE MG . 11573 1 164 . 1 1 18 18 ILE HG22 H 1 0.839 0.030 . 1 . . . . . 18 ILE MG . 11573 1 165 . 1 1 18 18 ILE HG23 H 1 0.839 0.030 . 1 . . . . . 18 ILE MG . 11573 1 166 . 1 1 18 18 ILE C C 13 175.001 0.300 . 1 . . . . . 18 ILE C . 11573 1 167 . 1 1 18 18 ILE CA C 13 60.036 0.300 . 1 . . . . . 18 ILE CA . 11573 1 168 . 1 1 18 18 ILE CB C 13 39.870 0.300 . 1 . . . . . 18 ILE CB . 11573 1 169 . 1 1 18 18 ILE CD1 C 13 13.630 0.300 . 1 . . . . . 18 ILE CD1 . 11573 1 170 . 1 1 18 18 ILE CG1 C 13 26.812 0.300 . 1 . . . . . 18 ILE CG1 . 11573 1 171 . 1 1 18 18 ILE CG2 C 13 17.667 0.300 . 1 . . . . . 18 ILE CG2 . 11573 1 172 . 1 1 18 18 ILE N N 15 119.101 0.300 . 1 . . . . . 18 ILE N . 11573 1 173 . 1 1 19 19 SER H H 1 8.654 0.030 . 1 . . . . . 19 SER H . 11573 1 174 . 1 1 19 19 SER HA H 1 4.411 0.030 . 1 . . . . . 19 SER HA . 11573 1 175 . 1 1 19 19 SER HB2 H 1 4.001 0.030 . 2 . . . . . 19 SER HB2 . 11573 1 176 . 1 1 19 19 SER HB3 H 1 4.356 0.030 . 2 . . . . . 19 SER HB3 . 11573 1 177 . 1 1 19 19 SER C C 13 174.758 0.300 . 1 . . . . . 19 SER C . 11573 1 178 . 1 1 19 19 SER CA C 13 57.367 0.300 . 1 . . . . . 19 SER CA . 11573 1 179 . 1 1 19 19 SER CB C 13 65.666 0.300 . 1 . . . . . 19 SER CB . 11573 1 180 . 1 1 19 19 SER N N 15 120.733 0.300 . 1 . . . . . 19 SER N . 11573 1 181 . 1 1 20 20 ARG H H 1 8.963 0.030 . 1 . . . . . 20 ARG H . 11573 1 182 . 1 1 20 20 ARG HA H 1 3.597 0.030 . 1 . . . . . 20 ARG HA . 11573 1 183 . 1 1 20 20 ARG HB2 H 1 1.723 0.030 . 2 . . . . . 20 ARG HB2 . 11573 1 184 . 1 1 20 20 ARG HB3 H 1 1.800 0.030 . 2 . . . . . 20 ARG HB3 . 11573 1 185 . 1 1 20 20 ARG HD2 H 1 2.942 0.030 . 1 . . . . . 20 ARG HD2 . 11573 1 186 . 1 1 20 20 ARG HD3 H 1 2.942 0.030 . 1 . . . . . 20 ARG HD3 . 11573 1 187 . 1 1 20 20 ARG HG2 H 1 0.774 0.030 . 2 . . . . . 20 ARG HG2 . 11573 1 188 . 1 1 20 20 ARG HG3 H 1 1.218 0.030 . 2 . . . . . 20 ARG HG3 . 11573 1 189 . 1 1 20 20 ARG C C 13 179.213 0.300 . 1 . . . . . 20 ARG C . 11573 1 190 . 1 1 20 20 ARG CA C 13 60.324 0.300 . 1 . . . . . 20 ARG CA . 11573 1 191 . 1 1 20 20 ARG CB C 13 29.818 0.300 . 1 . . . . . 20 ARG CB . 11573 1 192 . 1 1 20 20 ARG CD C 13 43.371 0.300 . 1 . . . . . 20 ARG CD . 11573 1 193 . 1 1 20 20 ARG CG C 13 27.262 0.300 . 1 . . . . . 20 ARG CG . 11573 1 194 . 1 1 20 20 ARG N N 15 122.138 0.300 . 1 . . . . . 20 ARG N . 11573 1 195 . 1 1 21 21 SER H H 1 8.747 0.030 . 1 . . . . . 21 SER H . 11573 1 196 . 1 1 21 21 SER HA H 1 4.160 0.030 . 1 . . . . . 21 SER HA . 11573 1 197 . 1 1 21 21 SER HB2 H 1 3.856 0.030 . 2 . . . . . 21 SER HB2 . 11573 1 198 . 1 1 21 21 SER HB3 H 1 4.153 0.030 . 2 . . . . . 21 SER HB3 . 11573 1 199 . 1 1 21 21 SER C C 13 177.477 0.300 . 1 . . . . . 21 SER C . 11573 1 200 . 1 1 21 21 SER CA C 13 61.769 0.300 . 1 . . . . . 21 SER CA . 11573 1 201 . 1 1 21 21 SER CB C 13 62.215 0.300 . 1 . . . . . 21 SER CB . 11573 1 202 . 1 1 21 21 SER N N 15 114.245 0.300 . 1 . . . . . 21 SER N . 11573 1 203 . 1 1 22 22 GLN H H 1 7.956 0.030 . 1 . . . . . 22 GLN H . 11573 1 204 . 1 1 22 22 GLN HA H 1 4.104 0.030 . 1 . . . . . 22 GLN HA . 11573 1 205 . 1 1 22 22 GLN HB2 H 1 1.943 0.030 . 2 . . . . . 22 GLN HB2 . 11573 1 206 . 1 1 22 22 GLN HB3 H 1 2.203 0.030 . 2 . . . . . 22 GLN HB3 . 11573 1 207 . 1 1 22 22 GLN HE21 H 1 6.882 0.030 . 2 . . . . . 22 GLN HE21 . 11573 1 208 . 1 1 22 22 GLN HE22 H 1 7.381 0.030 . 2 . . . . . 22 GLN HE22 . 11573 1 209 . 1 1 22 22 GLN HG2 H 1 2.366 0.030 . 1 . . . . . 22 GLN HG2 . 11573 1 210 . 1 1 22 22 GLN HG3 H 1 2.366 0.030 . 1 . . . . . 22 GLN HG3 . 11573 1 211 . 1 1 22 22 GLN C C 13 178.473 0.300 . 1 . . . . . 22 GLN C . 11573 1 212 . 1 1 22 22 GLN CA C 13 58.793 0.300 . 1 . . . . . 22 GLN CA . 11573 1 213 . 1 1 22 22 GLN CB C 13 28.542 0.300 . 1 . . . . . 22 GLN CB . 11573 1 214 . 1 1 22 22 GLN CG C 13 34.062 0.300 . 1 . . . . . 22 GLN CG . 11573 1 215 . 1 1 22 22 GLN N N 15 123.257 0.300 . 1 . . . . . 22 GLN N . 11573 1 216 . 1 1 22 22 GLN NE2 N 15 111.447 0.300 . 1 . . . . . 22 GLN NE2 . 11573 1 217 . 1 1 23 23 SER H H 1 8.557 0.030 . 1 . . . . . 23 SER H . 11573 1 218 . 1 1 23 23 SER HA H 1 3.794 0.030 . 1 . . . . . 23 SER HA . 11573 1 219 . 1 1 23 23 SER HB2 H 1 3.955 0.030 . 1 . . . . . 23 SER HB2 . 11573 1 220 . 1 1 23 23 SER HB3 H 1 3.955 0.030 . 1 . . . . . 23 SER HB3 . 11573 1 221 . 1 1 23 23 SER HG H 1 4.372 0.030 . 1 . . . . . 23 SER HG . 11573 1 222 . 1 1 23 23 SER C C 13 175.912 0.300 . 1 . . . . . 23 SER C . 11573 1 223 . 1 1 23 23 SER CA C 13 62.285 0.300 . 1 . . . . . 23 SER CA . 11573 1 224 . 1 1 23 23 SER CB C 13 63.474 0.300 . 1 . . . . . 23 SER CB . 11573 1 225 . 1 1 23 23 SER N N 15 115.946 0.300 . 1 . . . . . 23 SER N . 11573 1 226 . 1 1 24 24 GLU H H 1 7.925 0.030 . 1 . . . . . 24 GLU H . 11573 1 227 . 1 1 24 24 GLU HA H 1 3.963 0.030 . 1 . . . . . 24 GLU HA . 11573 1 228 . 1 1 24 24 GLU HB2 H 1 2.132 0.030 . 2 . . . . . 24 GLU HB2 . 11573 1 229 . 1 1 24 24 GLU HB3 H 1 2.275 0.030 . 2 . . . . . 24 GLU HB3 . 11573 1 230 . 1 1 24 24 GLU HG2 H 1 2.216 0.030 . 2 . . . . . 24 GLU HG2 . 11573 1 231 . 1 1 24 24 GLU HG3 H 1 2.949 0.030 . 2 . . . . . 24 GLU HG3 . 11573 1 232 . 1 1 24 24 GLU C C 13 178.000 0.300 . 1 . . . . . 24 GLU C . 11573 1 233 . 1 1 24 24 GLU CA C 13 60.230 0.300 . 1 . . . . . 24 GLU CA . 11573 1 234 . 1 1 24 24 GLU CB C 13 28.583 0.300 . 1 . . . . . 24 GLU CB . 11573 1 235 . 1 1 24 24 GLU CG C 13 37.110 0.300 . 1 . . . . . 24 GLU CG . 11573 1 236 . 1 1 24 24 GLU N N 15 118.975 0.300 . 1 . . . . . 24 GLU N . 11573 1 237 . 1 1 25 25 GLN H H 1 7.788 0.030 . 1 . . . . . 25 GLN H . 11573 1 238 . 1 1 25 25 GLN HA H 1 3.988 0.030 . 1 . . . . . 25 GLN HA . 11573 1 239 . 1 1 25 25 GLN HB2 H 1 2.130 0.030 . 1 . . . . . 25 GLN HB2 . 11573 1 240 . 1 1 25 25 GLN HB3 H 1 2.130 0.030 . 1 . . . . . 25 GLN HB3 . 11573 1 241 . 1 1 25 25 GLN HE21 H 1 7.368 0.030 . 2 . . . . . 25 GLN HE21 . 11573 1 242 . 1 1 25 25 GLN HE22 H 1 6.778 0.030 . 2 . . . . . 25 GLN HE22 . 11573 1 243 . 1 1 25 25 GLN HG2 H 1 2.329 0.030 . 2 . . . . . 25 GLN HG2 . 11573 1 244 . 1 1 25 25 GLN HG3 H 1 2.432 0.030 . 2 . . . . . 25 GLN HG3 . 11573 1 245 . 1 1 25 25 GLN C C 13 178.861 0.300 . 1 . . . . . 25 GLN C . 11573 1 246 . 1 1 25 25 GLN CA C 13 59.186 0.300 . 1 . . . . . 25 GLN CA . 11573 1 247 . 1 1 25 25 GLN CB C 13 28.336 0.300 . 1 . . . . . 25 GLN CB . 11573 1 248 . 1 1 25 25 GLN CG C 13 33.402 0.300 . 1 . . . . . 25 GLN CG . 11573 1 249 . 1 1 25 25 GLN N N 15 118.266 0.300 . 1 . . . . . 25 GLN N . 11573 1 250 . 1 1 25 25 GLN NE2 N 15 111.555 0.300 . 1 . . . . . 25 GLN NE2 . 11573 1 251 . 1 1 26 26 LEU H H 1 8.143 0.030 . 1 . . . . . 26 LEU H . 11573 1 252 . 1 1 26 26 LEU HA H 1 3.928 0.030 . 1 . . . . . 26 LEU HA . 11573 1 253 . 1 1 26 26 LEU HB2 H 1 1.685 0.030 . 1 . . . . . 26 LEU HB2 . 11573 1 254 . 1 1 26 26 LEU HB3 H 1 1.159 0.030 . 1 . . . . . 26 LEU HB3 . 11573 1 255 . 1 1 26 26 LEU HD11 H 1 0.758 0.030 . 2 . . . . . 26 LEU MD1 . 11573 1 256 . 1 1 26 26 LEU HD12 H 1 0.758 0.030 . 2 . . . . . 26 LEU MD1 . 11573 1 257 . 1 1 26 26 LEU HD13 H 1 0.758 0.030 . 2 . . . . . 26 LEU MD1 . 11573 1 258 . 1 1 26 26 LEU HD21 H 1 0.731 0.030 . 2 . . . . . 26 LEU MD2 . 11573 1 259 . 1 1 26 26 LEU HD22 H 1 0.731 0.030 . 2 . . . . . 26 LEU MD2 . 11573 1 260 . 1 1 26 26 LEU HD23 H 1 0.731 0.030 . 2 . . . . . 26 LEU MD2 . 11573 1 261 . 1 1 26 26 LEU HG H 1 1.716 0.030 . 1 . . . . . 26 LEU HG . 11573 1 262 . 1 1 26 26 LEU C C 13 180.463 0.300 . 1 . . . . . 26 LEU C . 11573 1 263 . 1 1 26 26 LEU CA C 13 57.893 0.300 . 1 . . . . . 26 LEU CA . 11573 1 264 . 1 1 26 26 LEU CB C 13 42.548 0.300 . 1 . . . . . 26 LEU CB . 11573 1 265 . 1 1 26 26 LEU CD1 C 13 22.857 0.300 . 2 . . . . . 26 LEU CD1 . 11573 1 266 . 1 1 26 26 LEU CD2 C 13 25.329 0.300 . 2 . . . . . 26 LEU CD2 . 11573 1 267 . 1 1 26 26 LEU CG C 13 27.223 0.300 . 1 . . . . . 26 LEU CG . 11573 1 268 . 1 1 26 26 LEU N N 15 118.949 0.300 . 1 . . . . . 26 LEU N . 11573 1 269 . 1 1 27 27 LEU H H 1 8.167 0.030 . 1 . . . . . 27 LEU H . 11573 1 270 . 1 1 27 27 LEU HA H 1 3.848 0.030 . 1 . . . . . 27 LEU HA . 11573 1 271 . 1 1 27 27 LEU HB2 H 1 1.155 0.030 . 1 . . . . . 27 LEU HB2 . 11573 1 272 . 1 1 27 27 LEU HB3 H 1 1.965 0.030 . 1 . . . . . 27 LEU HB3 . 11573 1 273 . 1 1 27 27 LEU HD11 H 1 0.676 0.030 . 2 . . . . . 27 LEU MD1 . 11573 1 274 . 1 1 27 27 LEU HD12 H 1 0.676 0.030 . 2 . . . . . 27 LEU MD1 . 11573 1 275 . 1 1 27 27 LEU HD13 H 1 0.676 0.030 . 2 . . . . . 27 LEU MD1 . 11573 1 276 . 1 1 27 27 LEU HD21 H 1 0.655 0.030 . 2 . . . . . 27 LEU MD2 . 11573 1 277 . 1 1 27 27 LEU HD22 H 1 0.655 0.030 . 2 . . . . . 27 LEU MD2 . 11573 1 278 . 1 1 27 27 LEU HD23 H 1 0.655 0.030 . 2 . . . . . 27 LEU MD2 . 11573 1 279 . 1 1 27 27 LEU HG H 1 1.785 0.030 . 1 . . . . . 27 LEU HG . 11573 1 280 . 1 1 27 27 LEU C C 13 178.521 0.300 . 1 . . . . . 27 LEU C . 11573 1 281 . 1 1 27 27 LEU CA C 13 58.053 0.300 . 1 . . . . . 27 LEU CA . 11573 1 282 . 1 1 27 27 LEU CB C 13 42.364 0.300 . 1 . . . . . 27 LEU CB . 11573 1 283 . 1 1 27 27 LEU CD1 C 13 27.094 0.300 . 2 . . . . . 27 LEU CD1 . 11573 1 284 . 1 1 27 27 LEU CD2 C 13 22.954 0.300 . 2 . . . . . 27 LEU CD2 . 11573 1 285 . 1 1 27 27 LEU CG C 13 27.141 0.300 . 1 . . . . . 27 LEU CG . 11573 1 286 . 1 1 27 27 LEU N N 15 118.811 0.300 . 1 . . . . . 27 LEU N . 11573 1 287 . 1 1 28 28 ARG H H 1 8.276 0.030 . 1 . . . . . 28 ARG H . 11573 1 288 . 1 1 28 28 ARG HA H 1 3.380 0.030 . 1 . . . . . 28 ARG HA . 11573 1 289 . 1 1 28 28 ARG HB2 H 1 1.719 0.030 . 2 . . . . . 28 ARG HB2 . 11573 1 290 . 1 1 28 28 ARG HB3 H 1 1.799 0.030 . 2 . . . . . 28 ARG HB3 . 11573 1 291 . 1 1 28 28 ARG HD2 H 1 3.164 0.030 . 2 . . . . . 28 ARG HD2 . 11573 1 292 . 1 1 28 28 ARG HD3 H 1 3.272 0.030 . 2 . . . . . 28 ARG HD3 . 11573 1 293 . 1 1 28 28 ARG HG2 H 1 1.558 0.030 . 2 . . . . . 28 ARG HG2 . 11573 1 294 . 1 1 28 28 ARG HG3 H 1 1.842 0.030 . 2 . . . . . 28 ARG HG3 . 11573 1 295 . 1 1 28 28 ARG C C 13 178.606 0.300 . 1 . . . . . 28 ARG C . 11573 1 296 . 1 1 28 28 ARG CA C 13 59.754 0.300 . 1 . . . . . 28 ARG CA . 11573 1 297 . 1 1 28 28 ARG CB C 13 29.828 0.300 . 1 . . . . . 28 ARG CB . 11573 1 298 . 1 1 28 28 ARG CD C 13 43.454 0.300 . 1 . . . . . 28 ARG CD . 11573 1 299 . 1 1 28 28 ARG CG C 13 29.362 0.300 . 1 . . . . . 28 ARG CG . 11573 1 300 . 1 1 28 28 ARG N N 15 118.275 0.300 . 1 . . . . . 28 ARG N . 11573 1 301 . 1 1 29 29 GLN H H 1 7.793 0.030 . 1 . . . . . 29 GLN H . 11573 1 302 . 1 1 29 29 GLN HA H 1 3.856 0.030 . 1 . . . . . 29 GLN HA . 11573 1 303 . 1 1 29 29 GLN HB2 H 1 2.019 0.030 . 2 . . . . . 29 GLN HB2 . 11573 1 304 . 1 1 29 29 GLN HB3 H 1 2.111 0.030 . 2 . . . . . 29 GLN HB3 . 11573 1 305 . 1 1 29 29 GLN HE21 H 1 7.429 0.030 . 2 . . . . . 29 GLN HE21 . 11573 1 306 . 1 1 29 29 GLN HE22 H 1 6.816 0.030 . 2 . . . . . 29 GLN HE22 . 11573 1 307 . 1 1 29 29 GLN HG2 H 1 2.320 0.030 . 2 . . . . . 29 GLN HG2 . 11573 1 308 . 1 1 29 29 GLN HG3 H 1 2.425 0.030 . 2 . . . . . 29 GLN HG3 . 11573 1 309 . 1 1 29 29 GLN C C 13 177.720 0.300 . 1 . . . . . 29 GLN C . 11573 1 310 . 1 1 29 29 GLN CA C 13 58.380 0.300 . 1 . . . . . 29 GLN CA . 11573 1 311 . 1 1 29 29 GLN CB C 13 28.212 0.300 . 1 . . . . . 29 GLN CB . 11573 1 312 . 1 1 29 29 GLN CG C 13 34.226 0.300 . 1 . . . . . 29 GLN CG . 11573 1 313 . 1 1 29 29 GLN N N 15 117.638 0.300 . 1 . . . . . 29 GLN N . 11573 1 314 . 1 1 29 29 GLN NE2 N 15 111.313 0.300 . 1 . . . . . 29 GLN NE2 . 11573 1 315 . 1 1 30 30 LYS H H 1 7.177 0.030 . 1 . . . . . 30 LYS H . 11573 1 316 . 1 1 30 30 LYS HA H 1 4.093 0.030 . 1 . . . . . 30 LYS HA . 11573 1 317 . 1 1 30 30 LYS HB2 H 1 1.799 0.030 . 2 . . . . . 30 LYS HB2 . 11573 1 318 . 1 1 30 30 LYS HB3 H 1 1.881 0.030 . 2 . . . . . 30 LYS HB3 . 11573 1 319 . 1 1 30 30 LYS HD2 H 1 1.628 0.030 . 2 . . . . . 30 LYS HD2 . 11573 1 320 . 1 1 30 30 LYS HD3 H 1 1.735 0.030 . 2 . . . . . 30 LYS HD3 . 11573 1 321 . 1 1 30 30 LYS HE2 H 1 2.634 0.030 . 2 . . . . . 30 LYS HE2 . 11573 1 322 . 1 1 30 30 LYS HE3 H 1 2.837 0.030 . 2 . . . . . 30 LYS HE3 . 11573 1 323 . 1 1 30 30 LYS HG2 H 1 1.056 0.030 . 2 . . . . . 30 LYS HG2 . 11573 1 324 . 1 1 30 30 LYS HG3 H 1 1.346 0.030 . 2 . . . . . 30 LYS HG3 . 11573 1 325 . 1 1 30 30 LYS C C 13 179.250 0.300 . 1 . . . . . 30 LYS C . 11573 1 326 . 1 1 30 30 LYS CA C 13 57.157 0.300 . 1 . . . . . 30 LYS CA . 11573 1 327 . 1 1 30 30 LYS CB C 13 30.972 0.300 . 1 . . . . . 30 LYS CB . 11573 1 328 . 1 1 30 30 LYS CD C 13 27.699 0.300 . 1 . . . . . 30 LYS CD . 11573 1 329 . 1 1 30 30 LYS CE C 13 41.971 0.300 . 1 . . . . . 30 LYS CE . 11573 1 330 . 1 1 30 30 LYS CG C 13 24.505 0.300 . 1 . . . . . 30 LYS CG . 11573 1 331 . 1 1 30 30 LYS N N 15 118.676 0.300 . 1 . . . . . 30 LYS N . 11573 1 332 . 1 1 31 31 GLY H H 1 7.640 0.030 . 1 . . . . . 31 GLY H . 11573 1 333 . 1 1 31 31 GLY HA2 H 1 2.677 0.030 . 2 . . . . . 31 GLY HA2 . 11573 1 334 . 1 1 31 31 GLY HA3 H 1 3.386 0.030 . 2 . . . . . 31 GLY HA3 . 11573 1 335 . 1 1 31 31 GLY C C 13 173.192 0.300 . 1 . . . . . 31 GLY C . 11573 1 336 . 1 1 31 31 GLY CA C 13 47.201 0.300 . 1 . . . . . 31 GLY CA . 11573 1 337 . 1 1 31 31 GLY N N 15 102.019 0.300 . 1 . . . . . 31 GLY N . 11573 1 338 . 1 1 32 32 LYS H H 1 6.140 0.030 . 1 . . . . . 32 LYS H . 11573 1 339 . 1 1 32 32 LYS HA H 1 4.634 0.030 . 1 . . . . . 32 LYS HA . 11573 1 340 . 1 1 32 32 LYS HB2 H 1 1.054 0.030 . 2 . . . . . 32 LYS HB2 . 11573 1 341 . 1 1 32 32 LYS HB3 H 1 1.655 0.030 . 2 . . . . . 32 LYS HB3 . 11573 1 342 . 1 1 32 32 LYS HD2 H 1 1.069 0.030 . 2 . . . . . 32 LYS HD2 . 11573 1 343 . 1 1 32 32 LYS HD3 H 1 1.199 0.030 . 2 . . . . . 32 LYS HD3 . 11573 1 344 . 1 1 32 32 LYS HE2 H 1 2.742 0.030 . 1 . . . . . 32 LYS HE2 . 11573 1 345 . 1 1 32 32 LYS HE3 H 1 2.742 0.030 . 1 . . . . . 32 LYS HE3 . 11573 1 346 . 1 1 32 32 LYS HG2 H 1 1.140 0.030 . 2 . . . . . 32 LYS HG2 . 11573 1 347 . 1 1 32 32 LYS HG3 H 1 1.202 0.030 . 2 . . . . . 32 LYS HG3 . 11573 1 348 . 1 1 32 32 LYS C C 13 174.880 0.300 . 1 . . . . . 32 LYS C . 11573 1 349 . 1 1 32 32 LYS CA C 13 53.539 0.300 . 1 . . . . . 32 LYS CA . 11573 1 350 . 1 1 32 32 LYS CB C 13 36.368 0.300 . 1 . . . . . 32 LYS CB . 11573 1 351 . 1 1 32 32 LYS CD C 13 28.690 0.300 . 1 . . . . . 32 LYS CD . 11573 1 352 . 1 1 32 32 LYS CE C 13 41.888 0.300 . 1 . . . . . 32 LYS CE . 11573 1 353 . 1 1 32 32 LYS CG C 13 24.340 0.300 . 1 . . . . . 32 LYS CG . 11573 1 354 . 1 1 32 32 LYS N N 15 115.439 0.300 . 1 . . . . . 32 LYS N . 11573 1 355 . 1 1 33 33 GLU H H 1 8.943 0.030 . 1 . . . . . 33 GLU H . 11573 1 356 . 1 1 33 33 GLU HA H 1 4.227 0.030 . 1 . . . . . 33 GLU HA . 11573 1 357 . 1 1 33 33 GLU HB2 H 1 1.943 0.030 . 2 . . . . . 33 GLU HB2 . 11573 1 358 . 1 1 33 33 GLU HB3 H 1 2.327 0.030 . 2 . . . . . 33 GLU HB3 . 11573 1 359 . 1 1 33 33 GLU HG2 H 1 2.447 0.030 . 2 . . . . . 33 GLU HG2 . 11573 1 360 . 1 1 33 33 GLU HG3 H 1 2.250 0.030 . 2 . . . . . 33 GLU HG3 . 11573 1 361 . 1 1 33 33 GLU C C 13 177.465 0.300 . 1 . . . . . 33 GLU C . 11573 1 362 . 1 1 33 33 GLU CA C 13 57.772 0.300 . 1 . . . . . 33 GLU CA . 11573 1 363 . 1 1 33 33 GLU CB C 13 29.530 0.300 . 1 . . . . . 33 GLU CB . 11573 1 364 . 1 1 33 33 GLU CG C 13 35.063 0.300 . 1 . . . . . 33 GLU CG . 11573 1 365 . 1 1 33 33 GLU N N 15 124.680 0.300 . 1 . . . . . 33 GLU N . 11573 1 366 . 1 1 34 34 GLY H H 1 9.182 0.030 . 1 . . . . . 34 GLY H . 11573 1 367 . 1 1 34 34 GLY HA2 H 1 3.786 0.030 . 1 . . . . . 34 GLY HA2 . 11573 1 368 . 1 1 34 34 GLY HA3 H 1 4.404 0.030 . 1 . . . . . 34 GLY HA3 . 11573 1 369 . 1 1 34 34 GLY C C 13 176.179 0.300 . 1 . . . . . 34 GLY C . 11573 1 370 . 1 1 34 34 GLY CA C 13 46.385 0.300 . 1 . . . . . 34 GLY CA . 11573 1 371 . 1 1 34 34 GLY N N 15 113.685 0.300 . 1 . . . . . 34 GLY N . 11573 1 372 . 1 1 35 35 ALA H H 1 8.503 0.030 . 1 . . . . . 35 ALA H . 11573 1 373 . 1 1 35 35 ALA HA H 1 5.715 0.030 . 1 . . . . . 35 ALA HA . 11573 1 374 . 1 1 35 35 ALA HB1 H 1 1.534 0.030 . 1 . . . . . 35 ALA MB . 11573 1 375 . 1 1 35 35 ALA HB2 H 1 1.534 0.030 . 1 . . . . . 35 ALA MB . 11573 1 376 . 1 1 35 35 ALA HB3 H 1 1.534 0.030 . 1 . . . . . 35 ALA MB . 11573 1 377 . 1 1 35 35 ALA C C 13 176.227 0.300 . 1 . . . . . 35 ALA C . 11573 1 378 . 1 1 35 35 ALA CA C 13 52.107 0.300 . 1 . . . . . 35 ALA CA . 11573 1 379 . 1 1 35 35 ALA CB C 13 18.518 0.300 . 1 . . . . . 35 ALA CB . 11573 1 380 . 1 1 35 35 ALA N N 15 126.123 0.300 . 1 . . . . . 35 ALA N . 11573 1 381 . 1 1 36 36 PHE H H 1 8.912 0.030 . 1 . . . . . 36 PHE H . 11573 1 382 . 1 1 36 36 PHE HA H 1 5.973 0.030 . 1 . . . . . 36 PHE HA . 11573 1 383 . 1 1 36 36 PHE HB2 H 1 2.980 0.030 . 1 . . . . . 36 PHE HB2 . 11573 1 384 . 1 1 36 36 PHE HB3 H 1 2.832 0.030 . 1 . . . . . 36 PHE HB3 . 11573 1 385 . 1 1 36 36 PHE HD1 H 1 6.659 0.030 . 3 . . . . . 36 PHE HD1 . 11573 1 386 . 1 1 36 36 PHE HD2 H 1 7.465 0.030 . 3 . . . . . 36 PHE HD2 . 11573 1 387 . 1 1 36 36 PHE HE1 H 1 6.521 0.030 . 3 . . . . . 36 PHE HE1 . 11573 1 388 . 1 1 36 36 PHE HE2 H 1 7.646 0.030 . 3 . . . . . 36 PHE HE2 . 11573 1 389 . 1 1 36 36 PHE HZ H 1 6.830 0.030 . 1 . . . . . 36 PHE HZ . 11573 1 390 . 1 1 36 36 PHE C C 13 170.595 0.300 . 1 . . . . . 36 PHE C . 11573 1 391 . 1 1 36 36 PHE CA C 13 56.364 0.300 . 1 . . . . . 36 PHE CA . 11573 1 392 . 1 1 36 36 PHE CB C 13 44.267 0.300 . 1 . . . . . 36 PHE CB . 11573 1 393 . 1 1 36 36 PHE CZ C 13 128.829 0.300 . 1 . . . . . 36 PHE CZ . 11573 1 394 . 1 1 36 36 PHE N N 15 119.967 0.300 . 1 . . . . . 36 PHE N . 11573 1 395 . 1 1 37 37 MET H H 1 8.865 0.030 . 1 . . . . . 37 MET H . 11573 1 396 . 1 1 37 37 MET HA H 1 5.126 0.030 . 1 . . . . . 37 MET HA . 11573 1 397 . 1 1 37 37 MET HB2 H 1 1.955 0.030 . 1 . . . . . 37 MET HB2 . 11573 1 398 . 1 1 37 37 MET HB3 H 1 2.963 0.030 . 1 . . . . . 37 MET HB3 . 11573 1 399 . 1 1 37 37 MET HE1 H 1 1.887 0.030 . 1 . . . . . 37 MET ME . 11573 1 400 . 1 1 37 37 MET HE2 H 1 1.887 0.030 . 1 . . . . . 37 MET ME . 11573 1 401 . 1 1 37 37 MET HE3 H 1 1.887 0.030 . 1 . . . . . 37 MET ME . 11573 1 402 . 1 1 37 37 MET HG2 H 1 2.141 0.030 . 2 . . . . . 37 MET HG2 . 11573 1 403 . 1 1 37 37 MET HG3 H 1 2.503 0.030 . 2 . . . . . 37 MET HG3 . 11573 1 404 . 1 1 37 37 MET C C 13 174.345 0.300 . 1 . . . . . 37 MET C . 11573 1 405 . 1 1 37 37 MET CA C 13 54.504 0.300 . 1 . . . . . 37 MET CA . 11573 1 406 . 1 1 37 37 MET CB C 13 36.492 0.300 . 1 . . . . . 37 MET CB . 11573 1 407 . 1 1 37 37 MET CE C 13 16.112 0.300 . 1 . . . . . 37 MET CE . 11573 1 408 . 1 1 37 37 MET CG C 13 29.613 0.300 . 1 . . . . . 37 MET CG . 11573 1 409 . 1 1 37 37 MET N N 15 112.435 0.300 . 1 . . . . . 37 MET N . 11573 1 410 . 1 1 38 38 VAL H H 1 9.466 0.030 . 1 . . . . . 38 VAL H . 11573 1 411 . 1 1 38 38 VAL HA H 1 5.256 0.030 . 1 . . . . . 38 VAL HA . 11573 1 412 . 1 1 38 38 VAL HB H 1 2.549 0.030 . 1 . . . . . 38 VAL HB . 11573 1 413 . 1 1 38 38 VAL HG11 H 1 1.206 0.030 . 1 . . . . . 38 VAL MG1 . 11573 1 414 . 1 1 38 38 VAL HG12 H 1 1.206 0.030 . 1 . . . . . 38 VAL MG1 . 11573 1 415 . 1 1 38 38 VAL HG13 H 1 1.206 0.030 . 1 . . . . . 38 VAL MG1 . 11573 1 416 . 1 1 38 38 VAL HG21 H 1 0.994 0.030 . 1 . . . . . 38 VAL MG2 . 11573 1 417 . 1 1 38 38 VAL HG22 H 1 0.994 0.030 . 1 . . . . . 38 VAL MG2 . 11573 1 418 . 1 1 38 38 VAL HG23 H 1 0.994 0.030 . 1 . . . . . 38 VAL MG2 . 11573 1 419 . 1 1 38 38 VAL C C 13 173.690 0.300 . 1 . . . . . 38 VAL C . 11573 1 420 . 1 1 38 38 VAL CA C 13 61.434 0.300 . 1 . . . . . 38 VAL CA . 11573 1 421 . 1 1 38 38 VAL CB C 13 33.855 0.300 . 1 . . . . . 38 VAL CB . 11573 1 422 . 1 1 38 38 VAL CG1 C 13 21.704 0.300 . 1 . . . . . 38 VAL CG1 . 11573 1 423 . 1 1 38 38 VAL CG2 C 13 24.175 0.300 . 1 . . . . . 38 VAL CG2 . 11573 1 424 . 1 1 38 38 VAL N N 15 120.247 0.300 . 1 . . . . . 38 VAL N . 11573 1 425 . 1 1 39 39 ARG H H 1 9.630 0.030 . 1 . . . . . 39 ARG H . 11573 1 426 . 1 1 39 39 ARG HA H 1 5.248 0.030 . 1 . . . . . 39 ARG HA . 11573 1 427 . 1 1 39 39 ARG HB2 H 1 1.467 0.030 . 2 . . . . . 39 ARG HB2 . 11573 1 428 . 1 1 39 39 ARG HB3 H 1 2.275 0.030 . 2 . . . . . 39 ARG HB3 . 11573 1 429 . 1 1 39 39 ARG HD2 H 1 2.839 0.030 . 2 . . . . . 39 ARG HD2 . 11573 1 430 . 1 1 39 39 ARG HD3 H 1 3.224 0.030 . 2 . . . . . 39 ARG HD3 . 11573 1 431 . 1 1 39 39 ARG HE H 1 7.761 0.030 . 1 . . . . . 39 ARG HE . 11573 1 432 . 1 1 39 39 ARG HG2 H 1 1.508 0.030 . 1 . . . . . 39 ARG HG2 . 11573 1 433 . 1 1 39 39 ARG HG3 H 1 1.508 0.030 . 1 . . . . . 39 ARG HG3 . 11573 1 434 . 1 1 39 39 ARG C C 13 174.928 0.300 . 1 . . . . . 39 ARG C . 11573 1 435 . 1 1 39 39 ARG CA C 13 53.005 0.300 . 1 . . . . . 39 ARG CA . 11573 1 436 . 1 1 39 39 ARG CB C 13 34.309 0.300 . 1 . . . . . 39 ARG CB . 11573 1 437 . 1 1 39 39 ARG CD C 13 44.113 0.300 . 1 . . . . . 39 ARG CD . 11573 1 438 . 1 1 39 39 ARG CG C 13 26.779 0.300 . 1 . . . . . 39 ARG CG . 11573 1 439 . 1 1 39 39 ARG N N 15 123.466 0.300 . 1 . . . . . 39 ARG N . 11573 1 440 . 1 1 39 39 ARG NE N 15 85.866 0.300 . 1 . . . . . 39 ARG NE . 11573 1 441 . 1 1 40 40 ASN H H 1 8.488 0.030 . 1 . . . . . 40 ASN H . 11573 1 442 . 1 1 40 40 ASN HA H 1 4.713 0.030 . 1 . . . . . 40 ASN HA . 11573 1 443 . 1 1 40 40 ASN HB2 H 1 2.605 0.030 . 2 . . . . . 40 ASN HB2 . 11573 1 444 . 1 1 40 40 ASN HB3 H 1 2.946 0.030 . 2 . . . . . 40 ASN HB3 . 11573 1 445 . 1 1 40 40 ASN HD21 H 1 6.901 0.030 . 2 . . . . . 40 ASN HD21 . 11573 1 446 . 1 1 40 40 ASN HD22 H 1 7.492 0.030 . 2 . . . . . 40 ASN HD22 . 11573 1 447 . 1 1 40 40 ASN C C 13 175.523 0.300 . 1 . . . . . 40 ASN C . 11573 1 448 . 1 1 40 40 ASN CA C 13 54.825 0.300 . 1 . . . . . 40 ASN CA . 11573 1 449 . 1 1 40 40 ASN CB C 13 39.252 0.300 . 1 . . . . . 40 ASN CB . 11573 1 450 . 1 1 40 40 ASN N N 15 119.816 0.300 . 1 . . . . . 40 ASN N . 11573 1 451 . 1 1 40 40 ASN ND2 N 15 109.400 0.300 . 1 . . . . . 40 ASN ND2 . 11573 1 452 . 1 1 41 41 SER H H 1 8.156 0.030 . 1 . . . . . 41 SER H . 11573 1 453 . 1 1 41 41 SER HA H 1 4.601 0.030 . 1 . . . . . 41 SER HA . 11573 1 454 . 1 1 41 41 SER HB2 H 1 3.773 0.030 . 1 . . . . . 41 SER HB2 . 11573 1 455 . 1 1 41 41 SER HB3 H 1 3.773 0.030 . 1 . . . . . 41 SER HB3 . 11573 1 456 . 1 1 41 41 SER C C 13 174.345 0.300 . 1 . . . . . 41 SER C . 11573 1 457 . 1 1 41 41 SER CA C 13 56.962 0.300 . 1 . . . . . 41 SER CA . 11573 1 458 . 1 1 41 41 SER CB C 13 63.556 0.300 . 1 . . . . . 41 SER CB . 11573 1 459 . 1 1 41 41 SER N N 15 116.986 0.300 . 1 . . . . . 41 SER N . 11573 1 460 . 1 1 42 42 SER HA H 1 4.216 0.030 . 1 . . . . . 42 SER HA . 11573 1 461 . 1 1 42 42 SER HB2 H 1 3.930 0.030 . 2 . . . . . 42 SER HB2 . 11573 1 462 . 1 1 42 42 SER HB3 H 1 3.872 0.030 . 2 . . . . . 42 SER HB3 . 11573 1 463 . 1 1 42 42 SER C C 13 174.928 0.300 . 1 . . . . . 42 SER C . 11573 1 464 . 1 1 42 42 SER CA C 13 60.366 0.300 . 1 . . . . . 42 SER CA . 11573 1 465 . 1 1 42 42 SER CB C 13 62.979 0.300 . 1 . . . . . 42 SER CB . 11573 1 466 . 1 1 43 43 GLN H H 1 7.980 0.030 . 1 . . . . . 43 GLN H . 11573 1 467 . 1 1 43 43 GLN HA H 1 4.374 0.030 . 1 . . . . . 43 GLN HA . 11573 1 468 . 1 1 43 43 GLN HB2 H 1 1.874 0.030 . 2 . . . . . 43 GLN HB2 . 11573 1 469 . 1 1 43 43 GLN HB3 H 1 1.916 0.030 . 2 . . . . . 43 GLN HB3 . 11573 1 470 . 1 1 43 43 GLN HE21 H 1 7.483 0.030 . 2 . . . . . 43 GLN HE21 . 11573 1 471 . 1 1 43 43 GLN HE22 H 1 6.791 0.030 . 2 . . . . . 43 GLN HE22 . 11573 1 472 . 1 1 43 43 GLN HG2 H 1 2.263 0.030 . 1 . . . . . 43 GLN HG2 . 11573 1 473 . 1 1 43 43 GLN HG3 H 1 2.263 0.030 . 1 . . . . . 43 GLN HG3 . 11573 1 474 . 1 1 43 43 GLN C C 13 175.111 0.300 . 1 . . . . . 43 GLN C . 11573 1 475 . 1 1 43 43 GLN CA C 13 55.100 0.300 . 1 . . . . . 43 GLN CA . 11573 1 476 . 1 1 43 43 GLN CB C 13 29.324 0.300 . 1 . . . . . 43 GLN CB . 11573 1 477 . 1 1 43 43 GLN CG C 13 33.732 0.300 . 1 . . . . . 43 GLN CG . 11573 1 478 . 1 1 43 43 GLN N N 15 121.344 0.300 . 1 . . . . . 43 GLN N . 11573 1 479 . 1 1 43 43 GLN NE2 N 15 112.308 0.300 . 1 . . . . . 43 GLN NE2 . 11573 1 480 . 1 1 44 44 VAL H H 1 8.138 0.030 . 1 . . . . . 44 VAL H . 11573 1 481 . 1 1 44 44 VAL HA H 1 3.794 0.030 . 1 . . . . . 44 VAL HA . 11573 1 482 . 1 1 44 44 VAL HB H 1 1.973 0.030 . 1 . . . . . 44 VAL HB . 11573 1 483 . 1 1 44 44 VAL HG11 H 1 0.918 0.030 . 2 . . . . . 44 VAL MG1 . 11573 1 484 . 1 1 44 44 VAL HG12 H 1 0.918 0.030 . 2 . . . . . 44 VAL MG1 . 11573 1 485 . 1 1 44 44 VAL HG13 H 1 0.918 0.030 . 2 . . . . . 44 VAL MG1 . 11573 1 486 . 1 1 44 44 VAL HG21 H 1 1.010 0.030 . 2 . . . . . 44 VAL MG2 . 11573 1 487 . 1 1 44 44 VAL HG22 H 1 1.010 0.030 . 2 . . . . . 44 VAL MG2 . 11573 1 488 . 1 1 44 44 VAL HG23 H 1 1.010 0.030 . 2 . . . . . 44 VAL MG2 . 11573 1 489 . 1 1 44 44 VAL C C 13 177.150 0.300 . 1 . . . . . 44 VAL C . 11573 1 490 . 1 1 44 44 VAL CA C 13 64.092 0.300 . 1 . . . . . 44 VAL CA . 11573 1 491 . 1 1 44 44 VAL CB C 13 31.805 0.300 . 1 . . . . . 44 VAL CB . 11573 1 492 . 1 1 44 44 VAL CG1 C 13 20.717 0.300 . 2 . . . . . 44 VAL CG1 . 11573 1 493 . 1 1 44 44 VAL CG2 C 13 21.500 0.300 . 2 . . . . . 44 VAL CG2 . 11573 1 494 . 1 1 44 44 VAL N N 15 123.591 0.300 . 1 . . . . . 44 VAL N . 11573 1 495 . 1 1 45 45 GLY H H 1 8.424 0.030 . 1 . . . . . 45 GLY H . 11573 1 496 . 1 1 45 45 GLY HA2 H 1 3.656 0.030 . 2 . . . . . 45 GLY HA2 . 11573 1 497 . 1 1 45 45 GLY HA3 H 1 4.119 0.030 . 2 . . . . . 45 GLY HA3 . 11573 1 498 . 1 1 45 45 GLY C C 13 173.204 0.300 . 1 . . . . . 45 GLY C . 11573 1 499 . 1 1 45 45 GLY CA C 13 45.201 0.300 . 1 . . . . . 45 GLY CA . 11573 1 500 . 1 1 45 45 GLY N N 15 113.611 0.300 . 1 . . . . . 45 GLY N . 11573 1 501 . 1 1 46 46 MET H H 1 7.484 0.030 . 1 . . . . . 46 MET H . 11573 1 502 . 1 1 46 46 MET HA H 1 4.806 0.030 . 1 . . . . . 46 MET HA . 11573 1 503 . 1 1 46 46 MET HB2 H 1 1.882 0.030 . 2 . . . . . 46 MET HB2 . 11573 1 504 . 1 1 46 46 MET HB3 H 1 2.079 0.030 . 2 . . . . . 46 MET HB3 . 11573 1 505 . 1 1 46 46 MET HE1 H 1 2.008 0.030 . 1 . . . . . 46 MET ME . 11573 1 506 . 1 1 46 46 MET HE2 H 1 2.008 0.030 . 1 . . . . . 46 MET ME . 11573 1 507 . 1 1 46 46 MET HE3 H 1 2.008 0.030 . 1 . . . . . 46 MET ME . 11573 1 508 . 1 1 46 46 MET HG2 H 1 2.366 0.030 . 2 . . . . . 46 MET HG2 . 11573 1 509 . 1 1 46 46 MET HG3 H 1 2.447 0.030 . 2 . . . . . 46 MET HG3 . 11573 1 510 . 1 1 46 46 MET C C 13 175.693 0.300 . 1 . . . . . 46 MET C . 11573 1 511 . 1 1 46 46 MET CA C 13 54.011 0.300 . 1 . . . . . 46 MET CA . 11573 1 512 . 1 1 46 46 MET CB C 13 34.226 0.300 . 1 . . . . . 46 MET CB . 11573 1 513 . 1 1 46 46 MET CE C 13 17.609 0.300 . 1 . . . . . 46 MET CE . 11573 1 514 . 1 1 46 46 MET CG C 13 32.496 0.300 . 1 . . . . . 46 MET CG . 11573 1 515 . 1 1 46 46 MET N N 15 117.504 0.300 . 1 . . . . . 46 MET N . 11573 1 516 . 1 1 47 47 TYR H H 1 9.243 0.030 . 1 . . . . . 47 TYR H . 11573 1 517 . 1 1 47 47 TYR HA H 1 5.192 0.030 . 1 . . . . . 47 TYR HA . 11573 1 518 . 1 1 47 47 TYR HB2 H 1 2.509 0.030 . 2 . . . . . 47 TYR HB2 . 11573 1 519 . 1 1 47 47 TYR HB3 H 1 3.018 0.030 . 2 . . . . . 47 TYR HB3 . 11573 1 520 . 1 1 47 47 TYR HD1 H 1 7.044 0.030 . 1 . . . . . 47 TYR HD1 . 11573 1 521 . 1 1 47 47 TYR HD2 H 1 7.044 0.030 . 1 . . . . . 47 TYR HD2 . 11573 1 522 . 1 1 47 47 TYR HE1 H 1 6.838 0.030 . 1 . . . . . 47 TYR HE1 . 11573 1 523 . 1 1 47 47 TYR HE2 H 1 6.838 0.030 . 1 . . . . . 47 TYR HE2 . 11573 1 524 . 1 1 47 47 TYR C C 13 174.054 0.300 . 1 . . . . . 47 TYR C . 11573 1 525 . 1 1 47 47 TYR CA C 13 58.628 0.300 . 1 . . . . . 47 TYR CA . 11573 1 526 . 1 1 47 47 TYR CB C 13 42.342 0.300 . 1 . . . . . 47 TYR CB . 11573 1 527 . 1 1 47 47 TYR CD1 C 13 132.851 0.300 . 1 . . . . . 47 TYR CD1 . 11573 1 528 . 1 1 47 47 TYR CD2 C 13 132.851 0.300 . 1 . . . . . 47 TYR CD2 . 11573 1 529 . 1 1 47 47 TYR CE1 C 13 118.290 0.300 . 1 . . . . . 47 TYR CE1 . 11573 1 530 . 1 1 47 47 TYR CE2 C 13 118.290 0.300 . 1 . . . . . 47 TYR CE2 . 11573 1 531 . 1 1 47 47 TYR N N 15 121.921 0.300 . 1 . . . . . 47 TYR N . 11573 1 532 . 1 1 48 48 THR H H 1 9.229 0.030 . 1 . . . . . 48 THR H . 11573 1 533 . 1 1 48 48 THR HA H 1 4.978 0.030 . 1 . . . . . 48 THR HA . 11573 1 534 . 1 1 48 48 THR HB H 1 3.577 0.030 . 1 . . . . . 48 THR HB . 11573 1 535 . 1 1 48 48 THR HG21 H 1 1.148 0.030 . 1 . . . . . 48 THR MG . 11573 1 536 . 1 1 48 48 THR HG22 H 1 1.148 0.030 . 1 . . . . . 48 THR MG . 11573 1 537 . 1 1 48 48 THR HG23 H 1 1.148 0.030 . 1 . . . . . 48 THR MG . 11573 1 538 . 1 1 48 48 THR C C 13 173.132 0.300 . 1 . . . . . 48 THR C . 11573 1 539 . 1 1 48 48 THR CA C 13 61.861 0.300 . 1 . . . . . 48 THR CA . 11573 1 540 . 1 1 48 48 THR CB C 13 73.236 0.300 . 1 . . . . . 48 THR CB . 11573 1 541 . 1 1 48 48 THR CG2 C 13 22.225 0.300 . 1 . . . . . 48 THR CG2 . 11573 1 542 . 1 1 48 48 THR N N 15 117.792 0.300 . 1 . . . . . 48 THR N . 11573 1 543 . 1 1 49 49 VAL H H 1 9.492 0.030 . 1 . . . . . 49 VAL H . 11573 1 544 . 1 1 49 49 VAL HA H 1 5.073 0.030 . 1 . . . . . 49 VAL HA . 11573 1 545 . 1 1 49 49 VAL HB H 1 2.084 0.030 . 1 . . . . . 49 VAL HB . 11573 1 546 . 1 1 49 49 VAL HG11 H 1 0.840 0.030 . 1 . . . . . 49 VAL MG1 . 11573 1 547 . 1 1 49 49 VAL HG12 H 1 0.840 0.030 . 1 . . . . . 49 VAL MG1 . 11573 1 548 . 1 1 49 49 VAL HG13 H 1 0.840 0.030 . 1 . . . . . 49 VAL MG1 . 11573 1 549 . 1 1 49 49 VAL HG21 H 1 0.875 0.030 . 1 . . . . . 49 VAL MG2 . 11573 1 550 . 1 1 49 49 VAL HG22 H 1 0.875 0.030 . 1 . . . . . 49 VAL MG2 . 11573 1 551 . 1 1 49 49 VAL HG23 H 1 0.875 0.030 . 1 . . . . . 49 VAL MG2 . 11573 1 552 . 1 1 49 49 VAL C C 13 174.613 0.300 . 1 . . . . . 49 VAL C . 11573 1 553 . 1 1 49 49 VAL CA C 13 61.344 0.300 . 1 . . . . . 49 VAL CA . 11573 1 554 . 1 1 49 49 VAL CB C 13 32.958 0.300 . 1 . . . . . 49 VAL CB . 11573 1 555 . 1 1 49 49 VAL CG1 C 13 20.481 0.300 . 1 . . . . . 49 VAL CG1 . 11573 1 556 . 1 1 49 49 VAL CG2 C 13 22.669 0.300 . 1 . . . . . 49 VAL CG2 . 11573 1 557 . 1 1 49 49 VAL N N 15 126.777 0.300 . 1 . . . . . 49 VAL N . 11573 1 558 . 1 1 50 50 SER H H 1 8.963 0.030 . 1 . . . . . 50 SER H . 11573 1 559 . 1 1 50 50 SER HA H 1 5.574 0.030 . 1 . . . . . 50 SER HA . 11573 1 560 . 1 1 50 50 SER HB2 H 1 3.345 0.030 . 1 . . . . . 50 SER HB2 . 11573 1 561 . 1 1 50 50 SER HB3 H 1 3.623 0.030 . 1 . . . . . 50 SER HB3 . 11573 1 562 . 1 1 50 50 SER HG H 1 8.434 0.030 . 1 . . . . . 50 SER HG . 11573 1 563 . 1 1 50 50 SER C C 13 172.403 0.300 . 1 . . . . . 50 SER C . 11573 1 564 . 1 1 50 50 SER CA C 13 58.334 0.300 . 1 . . . . . 50 SER CA . 11573 1 565 . 1 1 50 50 SER CB C 13 65.133 0.300 . 1 . . . . . 50 SER CB . 11573 1 566 . 1 1 50 50 SER N N 15 126.433 0.300 . 1 . . . . . 50 SER N . 11573 1 567 . 1 1 51 51 LEU H H 1 9.204 0.030 . 1 . . . . . 51 LEU H . 11573 1 568 . 1 1 51 51 LEU HA H 1 5.595 0.030 . 1 . . . . . 51 LEU HA . 11573 1 569 . 1 1 51 51 LEU HB2 H 1 1.500 0.030 . 2 . . . . . 51 LEU HB2 . 11573 1 570 . 1 1 51 51 LEU HB3 H 1 1.761 0.030 . 2 . . . . . 51 LEU HB3 . 11573 1 571 . 1 1 51 51 LEU HD11 H 1 0.882 0.030 . 1 . . . . . 51 LEU MD1 . 11573 1 572 . 1 1 51 51 LEU HD12 H 1 0.882 0.030 . 1 . . . . . 51 LEU MD1 . 11573 1 573 . 1 1 51 51 LEU HD13 H 1 0.882 0.030 . 1 . . . . . 51 LEU MD1 . 11573 1 574 . 1 1 51 51 LEU HD21 H 1 0.783 0.030 . 1 . . . . . 51 LEU MD2 . 11573 1 575 . 1 1 51 51 LEU HD22 H 1 0.783 0.030 . 1 . . . . . 51 LEU MD2 . 11573 1 576 . 1 1 51 51 LEU HD23 H 1 0.783 0.030 . 1 . . . . . 51 LEU MD2 . 11573 1 577 . 1 1 51 51 LEU HG H 1 1.660 0.030 . 1 . . . . . 51 LEU HG . 11573 1 578 . 1 1 51 51 LEU C C 13 174.164 0.300 . 1 . . . . . 51 LEU C . 11573 1 579 . 1 1 51 51 LEU CA C 13 53.765 0.300 . 1 . . . . . 51 LEU CA . 11573 1 580 . 1 1 51 51 LEU CB C 13 47.532 0.300 . 1 . . . . . 51 LEU CB . 11573 1 581 . 1 1 51 51 LEU CD1 C 13 24.752 0.300 . 1 . . . . . 51 LEU CD1 . 11573 1 582 . 1 1 51 51 LEU CD2 C 13 27.883 0.300 . 1 . . . . . 51 LEU CD2 . 11573 1 583 . 1 1 51 51 LEU CG C 13 26.647 0.300 . 1 . . . . . 51 LEU CG . 11573 1 584 . 1 1 51 51 LEU N N 15 123.757 0.300 . 1 . . . . . 51 LEU N . 11573 1 585 . 1 1 52 52 PHE H H 1 9.283 0.030 . 1 . . . . . 52 PHE H . 11573 1 586 . 1 1 52 52 PHE HA H 1 5.198 0.030 . 1 . . . . . 52 PHE HA . 11573 1 587 . 1 1 52 52 PHE HB2 H 1 2.678 0.030 . 1 . . . . . 52 PHE HB2 . 11573 1 588 . 1 1 52 52 PHE HB3 H 1 3.349 0.030 . 1 . . . . . 52 PHE HB3 . 11573 1 589 . 1 1 52 52 PHE HD1 H 1 6.886 0.030 . 1 . . . . . 52 PHE HD1 . 11573 1 590 . 1 1 52 52 PHE HD2 H 1 6.886 0.030 . 1 . . . . . 52 PHE HD2 . 11573 1 591 . 1 1 52 52 PHE HE1 H 1 7.028 0.030 . 1 . . . . . 52 PHE HE1 . 11573 1 592 . 1 1 52 52 PHE HE2 H 1 7.028 0.030 . 1 . . . . . 52 PHE HE2 . 11573 1 593 . 1 1 52 52 PHE HZ H 1 7.303 0.030 . 1 . . . . . 52 PHE HZ . 11573 1 594 . 1 1 52 52 PHE C C 13 173.350 0.300 . 1 . . . . . 52 PHE C . 11573 1 595 . 1 1 52 52 PHE CA C 13 56.699 0.300 . 1 . . . . . 52 PHE CA . 11573 1 596 . 1 1 52 52 PHE CB C 13 42.465 0.300 . 1 . . . . . 52 PHE CB . 11573 1 597 . 1 1 52 52 PHE CD1 C 13 131.556 0.300 . 1 . . . . . 52 PHE CD1 . 11573 1 598 . 1 1 52 52 PHE CD2 C 13 131.556 0.300 . 1 . . . . . 52 PHE CD2 . 11573 1 599 . 1 1 52 52 PHE CE1 C 13 130.412 0.300 . 1 . . . . . 52 PHE CE1 . 11573 1 600 . 1 1 52 52 PHE CE2 C 13 130.412 0.300 . 1 . . . . . 52 PHE CE2 . 11573 1 601 . 1 1 52 52 PHE CZ C 13 130.139 0.300 . 1 . . . . . 52 PHE CZ . 11573 1 602 . 1 1 52 52 PHE N N 15 125.481 0.300 . 1 . . . . . 52 PHE N . 11573 1 603 . 1 1 53 53 SER H H 1 8.340 0.030 . 1 . . . . . 53 SER H . 11573 1 604 . 1 1 53 53 SER HA H 1 4.796 0.030 . 1 . . . . . 53 SER HA . 11573 1 605 . 1 1 53 53 SER HB2 H 1 3.467 0.030 . 2 . . . . . 53 SER HB2 . 11573 1 606 . 1 1 53 53 SER HB3 H 1 3.649 0.030 . 2 . . . . . 53 SER HB3 . 11573 1 607 . 1 1 53 53 SER C C 13 172.500 0.300 . 1 . . . . . 53 SER C . 11573 1 608 . 1 1 53 53 SER CA C 13 56.086 0.300 . 1 . . . . . 53 SER CA . 11573 1 609 . 1 1 53 53 SER CB C 13 65.286 0.300 . 1 . . . . . 53 SER CB . 11573 1 610 . 1 1 53 53 SER N N 15 121.879 0.300 . 1 . . . . . 53 SER N . 11573 1 611 . 1 1 54 54 LYS H H 1 9.371 0.030 . 1 . . . . . 54 LYS H . 11573 1 612 . 1 1 54 54 LYS HA H 1 4.388 0.030 . 1 . . . . . 54 LYS HA . 11573 1 613 . 1 1 54 54 LYS HB2 H 1 1.470 0.030 . 2 . . . . . 54 LYS HB2 . 11573 1 614 . 1 1 54 54 LYS HB3 H 1 1.823 0.030 . 2 . . . . . 54 LYS HB3 . 11573 1 615 . 1 1 54 54 LYS HD2 H 1 1.656 0.030 . 1 . . . . . 54 LYS HD2 . 11573 1 616 . 1 1 54 54 LYS HD3 H 1 1.656 0.030 . 1 . . . . . 54 LYS HD3 . 11573 1 617 . 1 1 54 54 LYS HE2 H 1 2.961 0.030 . 1 . . . . . 54 LYS HE2 . 11573 1 618 . 1 1 54 54 LYS HE3 H 1 2.961 0.030 . 1 . . . . . 54 LYS HE3 . 11573 1 619 . 1 1 54 54 LYS HG2 H 1 1.129 0.030 . 2 . . . . . 54 LYS HG2 . 11573 1 620 . 1 1 54 54 LYS HG3 H 1 1.342 0.030 . 2 . . . . . 54 LYS HG3 . 11573 1 621 . 1 1 54 54 LYS C C 13 174.953 0.300 . 1 . . . . . 54 LYS C . 11573 1 622 . 1 1 54 54 LYS CA C 13 55.875 0.300 . 1 . . . . . 54 LYS CA . 11573 1 623 . 1 1 54 54 LYS CB C 13 34.309 0.300 . 1 . . . . . 54 LYS CB . 11573 1 624 . 1 1 54 54 LYS CD C 13 29.581 0.300 . 1 . . . . . 54 LYS CD . 11573 1 625 . 1 1 54 54 LYS CE C 13 42.135 0.300 . 1 . . . . . 54 LYS CE . 11573 1 626 . 1 1 54 54 LYS CG C 13 24.999 0.300 . 1 . . . . . 54 LYS CG . 11573 1 627 . 1 1 54 54 LYS N N 15 126.813 0.300 . 1 . . . . . 54 LYS N . 11573 1 628 . 1 1 55 55 ALA H H 1 8.783 0.030 . 1 . . . . . 55 ALA H . 11573 1 629 . 1 1 55 55 ALA HA H 1 4.435 0.030 . 1 . . . . . 55 ALA HA . 11573 1 630 . 1 1 55 55 ALA HB1 H 1 1.408 0.030 . 1 . . . . . 55 ALA MB . 11573 1 631 . 1 1 55 55 ALA HB2 H 1 1.408 0.030 . 1 . . . . . 55 ALA MB . 11573 1 632 . 1 1 55 55 ALA HB3 H 1 1.408 0.030 . 1 . . . . . 55 ALA MB . 11573 1 633 . 1 1 55 55 ALA C C 13 178.388 0.300 . 1 . . . . . 55 ALA C . 11573 1 634 . 1 1 55 55 ALA CA C 13 51.746 0.300 . 1 . . . . . 55 ALA CA . 11573 1 635 . 1 1 55 55 ALA CB C 13 19.932 0.300 . 1 . . . . . 55 ALA CB . 11573 1 636 . 1 1 55 55 ALA N N 15 129.023 0.300 . 1 . . . . . 55 ALA N . 11573 1 637 . 1 1 56 56 VAL H H 1 8.304 0.030 . 1 . . . . . 56 VAL H . 11573 1 638 . 1 1 56 56 VAL HA H 1 3.876 0.030 . 1 . . . . . 56 VAL HA . 11573 1 639 . 1 1 56 56 VAL HB H 1 2.048 0.030 . 1 . . . . . 56 VAL HB . 11573 1 640 . 1 1 56 56 VAL HG11 H 1 0.937 0.030 . 2 . . . . . 56 VAL MG1 . 11573 1 641 . 1 1 56 56 VAL HG12 H 1 0.937 0.030 . 2 . . . . . 56 VAL MG1 . 11573 1 642 . 1 1 56 56 VAL HG13 H 1 0.937 0.030 . 2 . . . . . 56 VAL MG1 . 11573 1 643 . 1 1 56 56 VAL HG21 H 1 0.978 0.030 . 2 . . . . . 56 VAL MG2 . 11573 1 644 . 1 1 56 56 VAL HG22 H 1 0.978 0.030 . 2 . . . . . 56 VAL MG2 . 11573 1 645 . 1 1 56 56 VAL HG23 H 1 0.978 0.030 . 2 . . . . . 56 VAL MG2 . 11573 1 646 . 1 1 56 56 VAL C C 13 176.446 0.300 . 1 . . . . . 56 VAL C . 11573 1 647 . 1 1 56 56 VAL CA C 13 64.535 0.300 . 1 . . . . . 56 VAL CA . 11573 1 648 . 1 1 56 56 VAL CB C 13 31.920 0.300 . 1 . . . . . 56 VAL CB . 11573 1 649 . 1 1 56 56 VAL CG1 C 13 20.695 0.300 . 2 . . . . . 56 VAL CG1 . 11573 1 650 . 1 1 56 56 VAL CG2 C 13 21.034 0.300 . 2 . . . . . 56 VAL CG2 . 11573 1 651 . 1 1 56 56 VAL N N 15 119.169 0.300 . 1 . . . . . 56 VAL N . 11573 1 652 . 1 1 57 57 ASN H H 1 8.321 0.030 . 1 . . . . . 57 ASN H . 11573 1 653 . 1 1 57 57 ASN HA H 1 4.651 0.030 . 1 . . . . . 57 ASN HA . 11573 1 654 . 1 1 57 57 ASN HB2 H 1 2.884 0.030 . 1 . . . . . 57 ASN HB2 . 11573 1 655 . 1 1 57 57 ASN HB3 H 1 2.884 0.030 . 1 . . . . . 57 ASN HB3 . 11573 1 656 . 1 1 57 57 ASN HD21 H 1 7.631 0.030 . 2 . . . . . 57 ASN HD21 . 11573 1 657 . 1 1 57 57 ASN HD22 H 1 6.905 0.030 . 2 . . . . . 57 ASN HD22 . 11573 1 658 . 1 1 57 57 ASN C C 13 174.686 0.300 . 1 . . . . . 57 ASN C . 11573 1 659 . 1 1 57 57 ASN CA C 13 53.583 0.300 . 1 . . . . . 57 ASN CA . 11573 1 660 . 1 1 57 57 ASN CB C 13 38.075 0.300 . 1 . . . . . 57 ASN CB . 11573 1 661 . 1 1 57 57 ASN N N 15 116.595 0.300 . 1 . . . . . 57 ASN N . 11573 1 662 . 1 1 57 57 ASN ND2 N 15 113.150 0.300 . 1 . . . . . 57 ASN ND2 . 11573 1 663 . 1 1 58 58 ASP H H 1 7.692 0.030 . 1 . . . . . 58 ASP H . 11573 1 664 . 1 1 58 58 ASP HA H 1 4.703 0.030 . 1 . . . . . 58 ASP HA . 11573 1 665 . 1 1 58 58 ASP HB2 H 1 2.625 0.030 . 2 . . . . . 58 ASP HB2 . 11573 1 666 . 1 1 58 58 ASP HB3 H 1 2.791 0.030 . 2 . . . . . 58 ASP HB3 . 11573 1 667 . 1 1 58 58 ASP C C 13 176.166 0.300 . 1 . . . . . 58 ASP C . 11573 1 668 . 1 1 58 58 ASP CA C 13 53.742 0.300 . 1 . . . . . 58 ASP CA . 11573 1 669 . 1 1 58 58 ASP CB C 13 41.765 0.300 . 1 . . . . . 58 ASP CB . 11573 1 670 . 1 1 58 58 ASP N N 15 119.937 0.300 . 1 . . . . . 58 ASP N . 11573 1 671 . 1 1 59 59 LYS H H 1 8.566 0.030 . 1 . . . . . 59 LYS H . 11573 1 672 . 1 1 59 59 LYS HA H 1 4.232 0.030 . 1 . . . . . 59 LYS HA . 11573 1 673 . 1 1 59 59 LYS HB2 H 1 1.924 0.030 . 2 . . . . . 59 LYS HB2 . 11573 1 674 . 1 1 59 59 LYS HB3 H 1 1.814 0.030 . 2 . . . . . 59 LYS HB3 . 11573 1 675 . 1 1 59 59 LYS HD2 H 1 1.683 0.030 . 1 . . . . . 59 LYS HD2 . 11573 1 676 . 1 1 59 59 LYS HD3 H 1 1.683 0.030 . 1 . . . . . 59 LYS HD3 . 11573 1 677 . 1 1 59 59 LYS HE2 H 1 3.026 0.030 . 1 . . . . . 59 LYS HE2 . 11573 1 678 . 1 1 59 59 LYS HE3 H 1 3.026 0.030 . 1 . . . . . 59 LYS HE3 . 11573 1 679 . 1 1 59 59 LYS HG2 H 1 1.461 0.030 . 2 . . . . . 59 LYS HG2 . 11573 1 680 . 1 1 59 59 LYS HG3 H 1 1.524 0.030 . 2 . . . . . 59 LYS HG3 . 11573 1 681 . 1 1 59 59 LYS C C 13 177.077 0.300 . 1 . . . . . 59 LYS C . 11573 1 682 . 1 1 59 59 LYS CA C 13 57.551 0.300 . 1 . . . . . 59 LYS CA . 11573 1 683 . 1 1 59 59 LYS CB C 13 32.743 0.300 . 1 . . . . . 59 LYS CB . 11573 1 684 . 1 1 59 59 LYS CD C 13 28.871 0.300 . 1 . . . . . 59 LYS CD . 11573 1 685 . 1 1 59 59 LYS CE C 13 42.300 0.300 . 1 . . . . . 59 LYS CE . 11573 1 686 . 1 1 59 59 LYS CG C 13 25.164 0.300 . 1 . . . . . 59 LYS CG . 11573 1 687 . 1 1 59 59 LYS N N 15 121.417 0.300 . 1 . . . . . 59 LYS N . 11573 1 688 . 1 1 60 60 LYS H H 1 8.077 0.030 . 1 . . . . . 60 LYS H . 11573 1 689 . 1 1 60 60 LYS HA H 1 4.486 0.030 . 1 . . . . . 60 LYS HA . 11573 1 690 . 1 1 60 60 LYS HB2 H 1 1.842 0.030 . 2 . . . . . 60 LYS HB2 . 11573 1 691 . 1 1 60 60 LYS HB3 H 1 1.911 0.030 . 2 . . . . . 60 LYS HB3 . 11573 1 692 . 1 1 60 60 LYS HD2 H 1 1.717 0.030 . 1 . . . . . 60 LYS HD2 . 11573 1 693 . 1 1 60 60 LYS HD3 H 1 1.717 0.030 . 1 . . . . . 60 LYS HD3 . 11573 1 694 . 1 1 60 60 LYS HE2 H 1 3.009 0.030 . 1 . . . . . 60 LYS HE2 . 11573 1 695 . 1 1 60 60 LYS HE3 H 1 3.009 0.030 . 1 . . . . . 60 LYS HE3 . 11573 1 696 . 1 1 60 60 LYS HG2 H 1 1.459 0.030 . 1 . . . . . 60 LYS HG2 . 11573 1 697 . 1 1 60 60 LYS HG3 H 1 1.459 0.030 . 1 . . . . . 60 LYS HG3 . 11573 1 698 . 1 1 60 60 LYS C C 13 176.943 0.300 . 1 . . . . . 60 LYS C . 11573 1 699 . 1 1 60 60 LYS CA C 13 56.138 0.300 . 1 . . . . . 60 LYS CA . 11573 1 700 . 1 1 60 60 LYS CB C 13 34.473 0.300 . 1 . . . . . 60 LYS CB . 11573 1 701 . 1 1 60 60 LYS CD C 13 29.201 0.300 . 1 . . . . . 60 LYS CD . 11573 1 702 . 1 1 60 60 LYS CE C 13 42.218 0.300 . 1 . . . . . 60 LYS CE . 11573 1 703 . 1 1 60 60 LYS CG C 13 24.587 0.300 . 1 . . . . . 60 LYS CG . 11573 1 704 . 1 1 60 60 LYS N N 15 117.749 0.300 . 1 . . . . . 60 LYS N . 11573 1 705 . 1 1 61 61 GLY H H 1 8.503 0.030 . 1 . . . . . 61 GLY H . 11573 1 706 . 1 1 61 61 GLY HA2 H 1 3.647 0.030 . 2 . . . . . 61 GLY HA2 . 11573 1 707 . 1 1 61 61 GLY HA3 H 1 3.897 0.030 . 2 . . . . . 61 GLY HA3 . 11573 1 708 . 1 1 61 61 GLY C C 13 172.816 0.300 . 1 . . . . . 61 GLY C . 11573 1 709 . 1 1 61 61 GLY CA C 13 45.149 0.300 . 1 . . . . . 61 GLY CA . 11573 1 710 . 1 1 61 61 GLY N N 15 108.749 0.300 . 1 . . . . . 61 GLY N . 11573 1 711 . 1 1 62 62 THR H H 1 8.244 0.030 . 1 . . . . . 62 THR H . 11573 1 712 . 1 1 62 62 THR HA H 1 4.485 0.030 . 1 . . . . . 62 THR HA . 11573 1 713 . 1 1 62 62 THR HB H 1 3.879 0.030 . 1 . . . . . 62 THR HB . 11573 1 714 . 1 1 62 62 THR HG1 H 1 3.465 0.030 . 1 . . . . . 62 THR HG1 . 11573 1 715 . 1 1 62 62 THR HG21 H 1 1.047 0.030 . 1 . . . . . 62 THR MG . 11573 1 716 . 1 1 62 62 THR HG22 H 1 1.047 0.030 . 1 . . . . . 62 THR MG . 11573 1 717 . 1 1 62 62 THR HG23 H 1 1.047 0.030 . 1 . . . . . 62 THR MG . 11573 1 718 . 1 1 62 62 THR C C 13 172.246 0.300 . 1 . . . . . 62 THR C . 11573 1 719 . 1 1 62 62 THR CA C 13 60.575 0.300 . 1 . . . . . 62 THR CA . 11573 1 720 . 1 1 62 62 THR CB C 13 71.960 0.300 . 1 . . . . . 62 THR CB . 11573 1 721 . 1 1 62 62 THR CG2 C 13 21.044 0.300 . 1 . . . . . 62 THR CG2 . 11573 1 722 . 1 1 62 62 THR N N 15 114.799 0.300 . 1 . . . . . 62 THR N . 11573 1 723 . 1 1 63 63 VAL H H 1 8.220 0.030 . 1 . . . . . 63 VAL H . 11573 1 724 . 1 1 63 63 VAL HA H 1 4.896 0.030 . 1 . . . . . 63 VAL HA . 11573 1 725 . 1 1 63 63 VAL HB H 1 1.820 0.030 . 1 . . . . . 63 VAL HB . 11573 1 726 . 1 1 63 63 VAL HG11 H 1 0.517 0.030 . 1 . . . . . 63 VAL MG1 . 11573 1 727 . 1 1 63 63 VAL HG12 H 1 0.517 0.030 . 1 . . . . . 63 VAL MG1 . 11573 1 728 . 1 1 63 63 VAL HG13 H 1 0.517 0.030 . 1 . . . . . 63 VAL MG1 . 11573 1 729 . 1 1 63 63 VAL HG21 H 1 1.116 0.030 . 1 . . . . . 63 VAL MG2 . 11573 1 730 . 1 1 63 63 VAL HG22 H 1 1.116 0.030 . 1 . . . . . 63 VAL MG2 . 11573 1 731 . 1 1 63 63 VAL HG23 H 1 1.116 0.030 . 1 . . . . . 63 VAL MG2 . 11573 1 732 . 1 1 63 63 VAL C C 13 174.952 0.300 . 1 . . . . . 63 VAL C . 11573 1 733 . 1 1 63 63 VAL CA C 13 61.037 0.300 . 1 . . . . . 63 VAL CA . 11573 1 734 . 1 1 63 63 VAL CB C 13 32.558 0.300 . 1 . . . . . 63 VAL CB . 11573 1 735 . 1 1 63 63 VAL CG1 C 13 22.670 0.300 . 1 . . . . . 63 VAL CG1 . 11573 1 736 . 1 1 63 63 VAL CG2 C 13 23.101 0.300 . 1 . . . . . 63 VAL CG2 . 11573 1 737 . 1 1 63 63 VAL N N 15 122.653 0.300 . 1 . . . . . 63 VAL N . 11573 1 738 . 1 1 64 64 LYS H H 1 8.919 0.030 . 1 . . . . . 64 LYS H . 11573 1 739 . 1 1 64 64 LYS HA H 1 4.322 0.030 . 1 . . . . . 64 LYS HA . 11573 1 740 . 1 1 64 64 LYS HB2 H 1 1.371 0.030 . 2 . . . . . 64 LYS HB2 . 11573 1 741 . 1 1 64 64 LYS HB3 H 1 1.436 0.030 . 2 . . . . . 64 LYS HB3 . 11573 1 742 . 1 1 64 64 LYS HD2 H 1 1.545 0.030 . 2 . . . . . 64 LYS HD2 . 11573 1 743 . 1 1 64 64 LYS HD3 H 1 1.661 0.030 . 2 . . . . . 64 LYS HD3 . 11573 1 744 . 1 1 64 64 LYS HE2 H 1 2.841 0.030 . 1 . . . . . 64 LYS HE2 . 11573 1 745 . 1 1 64 64 LYS HE3 H 1 2.841 0.030 . 1 . . . . . 64 LYS HE3 . 11573 1 746 . 1 1 64 64 LYS HG2 H 1 1.194 0.030 . 2 . . . . . 64 LYS HG2 . 11573 1 747 . 1 1 64 64 LYS HG3 H 1 1.283 0.030 . 2 . . . . . 64 LYS HG3 . 11573 1 748 . 1 1 64 64 LYS C C 13 173.568 0.300 . 1 . . . . . 64 LYS C . 11573 1 749 . 1 1 64 64 LYS CA C 13 54.202 0.300 . 1 . . . . . 64 LYS CA . 11573 1 750 . 1 1 64 64 LYS CB C 13 36.107 0.300 . 1 . . . . . 64 LYS CB . 11573 1 751 . 1 1 64 64 LYS CD C 13 28.954 0.300 . 1 . . . . . 64 LYS CD . 11573 1 752 . 1 1 64 64 LYS CE C 13 42.300 0.300 . 1 . . . . . 64 LYS CE . 11573 1 753 . 1 1 64 64 LYS CG C 13 25.411 0.300 . 1 . . . . . 64 LYS CG . 11573 1 754 . 1 1 64 64 LYS N N 15 127.971 0.300 . 1 . . . . . 64 LYS N . 11573 1 755 . 1 1 65 65 HIS H H 1 8.105 0.030 . 1 . . . . . 65 HIS H . 11573 1 756 . 1 1 65 65 HIS HA H 1 5.095 0.030 . 1 . . . . . 65 HIS HA . 11573 1 757 . 1 1 65 65 HIS HB2 H 1 2.443 0.030 . 2 . . . . . 65 HIS HB2 . 11573 1 758 . 1 1 65 65 HIS HB3 H 1 2.742 0.030 . 2 . . . . . 65 HIS HB3 . 11573 1 759 . 1 1 65 65 HIS HD2 H 1 6.992 0.030 . 1 . . . . . 65 HIS HD2 . 11573 1 760 . 1 1 65 65 HIS C C 13 174.904 0.300 . 1 . . . . . 65 HIS C . 11573 1 761 . 1 1 65 65 HIS CA C 13 54.590 0.300 . 1 . . . . . 65 HIS CA . 11573 1 762 . 1 1 65 65 HIS CB C 13 32.579 0.300 . 1 . . . . . 65 HIS CB . 11573 1 763 . 1 1 65 65 HIS CD2 C 13 119.847 0.300 . 1 . . . . . 65 HIS CD2 . 11573 1 764 . 1 1 65 65 HIS N N 15 119.598 0.300 . 1 . . . . . 65 HIS N . 11573 1 765 . 1 1 66 66 TYR H H 1 9.742 0.030 . 1 . . . . . 66 TYR H . 11573 1 766 . 1 1 66 66 TYR HA H 1 4.692 0.030 . 1 . . . . . 66 TYR HA . 11573 1 767 . 1 1 66 66 TYR HB2 H 1 2.722 0.030 . 1 . . . . . 66 TYR HB2 . 11573 1 768 . 1 1 66 66 TYR HB3 H 1 3.176 0.030 . 1 . . . . . 66 TYR HB3 . 11573 1 769 . 1 1 66 66 TYR HD1 H 1 7.048 0.030 . 1 . . . . . 66 TYR HD1 . 11573 1 770 . 1 1 66 66 TYR HD2 H 1 7.048 0.030 . 1 . . . . . 66 TYR HD2 . 11573 1 771 . 1 1 66 66 TYR HE1 H 1 6.661 0.030 . 1 . . . . . 66 TYR HE1 . 11573 1 772 . 1 1 66 66 TYR HE2 H 1 6.661 0.030 . 1 . . . . . 66 TYR HE2 . 11573 1 773 . 1 1 66 66 TYR C C 13 174.782 0.300 . 1 . . . . . 66 TYR C . 11573 1 774 . 1 1 66 66 TYR CA C 13 56.848 0.300 . 1 . . . . . 66 TYR CA . 11573 1 775 . 1 1 66 66 TYR CB C 13 40.817 0.300 . 1 . . . . . 66 TYR CB . 11573 1 776 . 1 1 66 66 TYR CD1 C 13 132.873 0.300 . 1 . . . . . 66 TYR CD1 . 11573 1 777 . 1 1 66 66 TYR CD2 C 13 132.873 0.300 . 1 . . . . . 66 TYR CD2 . 11573 1 778 . 1 1 66 66 TYR CE1 C 13 118.045 0.300 . 1 . . . . . 66 TYR CE1 . 11573 1 779 . 1 1 66 66 TYR CE2 C 13 118.045 0.300 . 1 . . . . . 66 TYR CE2 . 11573 1 780 . 1 1 66 66 TYR N N 15 124.006 0.300 . 1 . . . . . 66 TYR N . 11573 1 781 . 1 1 67 67 HIS H H 1 8.723 0.030 . 1 . . . . . 67 HIS H . 11573 1 782 . 1 1 67 67 HIS HA H 1 4.687 0.030 . 1 . . . . . 67 HIS HA . 11573 1 783 . 1 1 67 67 HIS HB2 H 1 2.706 0.030 . 1 . . . . . 67 HIS HB2 . 11573 1 784 . 1 1 67 67 HIS HB3 H 1 2.706 0.030 . 1 . . . . . 67 HIS HB3 . 11573 1 785 . 1 1 67 67 HIS HD2 H 1 6.691 0.030 . 1 . . . . . 67 HIS HD2 . 11573 1 786 . 1 1 67 67 HIS C C 13 174.710 0.300 . 1 . . . . . 67 HIS C . 11573 1 787 . 1 1 67 67 HIS CA C 13 56.830 0.300 . 1 . . . . . 67 HIS CA . 11573 1 788 . 1 1 67 67 HIS CB C 13 30.931 0.300 . 1 . . . . . 67 HIS CB . 11573 1 789 . 1 1 67 67 HIS CD2 C 13 119.612 0.300 . 1 . . . . . 67 HIS CD2 . 11573 1 790 . 1 1 67 67 HIS N N 15 124.356 0.300 . 1 . . . . . 67 HIS N . 11573 1 791 . 1 1 68 68 VAL H H 1 8.057 0.030 . 1 . . . . . 68 VAL H . 11573 1 792 . 1 1 68 68 VAL HA H 1 3.871 0.030 . 1 . . . . . 68 VAL HA . 11573 1 793 . 1 1 68 68 VAL HB H 1 2.275 0.030 . 1 . . . . . 68 VAL HB . 11573 1 794 . 1 1 68 68 VAL HG11 H 1 0.796 0.030 . 2 . . . . . 68 VAL MG1 . 11573 1 795 . 1 1 68 68 VAL HG12 H 1 0.796 0.030 . 2 . . . . . 68 VAL MG1 . 11573 1 796 . 1 1 68 68 VAL HG13 H 1 0.796 0.030 . 2 . . . . . 68 VAL MG1 . 11573 1 797 . 1 1 68 68 VAL HG21 H 1 0.733 0.030 . 2 . . . . . 68 VAL MG2 . 11573 1 798 . 1 1 68 68 VAL HG22 H 1 0.733 0.030 . 2 . . . . . 68 VAL MG2 . 11573 1 799 . 1 1 68 68 VAL HG23 H 1 0.733 0.030 . 2 . . . . . 68 VAL MG2 . 11573 1 800 . 1 1 68 68 VAL C C 13 175.705 0.300 . 1 . . . . . 68 VAL C . 11573 1 801 . 1 1 68 68 VAL CA C 13 62.827 0.300 . 1 . . . . . 68 VAL CA . 11573 1 802 . 1 1 68 68 VAL CB C 13 30.107 0.300 . 1 . . . . . 68 VAL CB . 11573 1 803 . 1 1 68 68 VAL CG1 C 13 23.104 0.300 . 2 . . . . . 68 VAL CG1 . 11573 1 804 . 1 1 68 68 VAL CG2 C 13 21.292 0.300 . 2 . . . . . 68 VAL CG2 . 11573 1 805 . 1 1 68 68 VAL N N 15 122.716 0.300 . 1 . . . . . 68 VAL N . 11573 1 806 . 1 1 69 69 HIS H H 1 8.312 0.030 . 1 . . . . . 69 HIS H . 11573 1 807 . 1 1 69 69 HIS HA H 1 4.497 0.030 . 1 . . . . . 69 HIS HA . 11573 1 808 . 1 1 69 69 HIS HB2 H 1 1.283 0.030 . 1 . . . . . 69 HIS HB2 . 11573 1 809 . 1 1 69 69 HIS HB3 H 1 2.574 0.030 . 1 . . . . . 69 HIS HB3 . 11573 1 810 . 1 1 69 69 HIS HD2 H 1 6.938 0.030 . 1 . . . . . 69 HIS HD2 . 11573 1 811 . 1 1 69 69 HIS C C 13 173.678 0.300 . 1 . . . . . 69 HIS C . 11573 1 812 . 1 1 69 69 HIS CA C 13 55.632 0.300 . 1 . . . . . 69 HIS CA . 11573 1 813 . 1 1 69 69 HIS CB C 13 31.549 0.300 . 1 . . . . . 69 HIS CB . 11573 1 814 . 1 1 69 69 HIS CD2 C 13 121.140 0.300 . 1 . . . . . 69 HIS CD2 . 11573 1 815 . 1 1 69 69 HIS N N 15 129.064 0.300 . 1 . . . . . 69 HIS N . 11573 1 816 . 1 1 70 70 THR H H 1 8.142 0.030 . 1 . . . . . 70 THR H . 11573 1 817 . 1 1 70 70 THR HA H 1 5.491 0.030 . 1 . . . . . 70 THR HA . 11573 1 818 . 1 1 70 70 THR HB H 1 4.038 0.030 . 1 . . . . . 70 THR HB . 11573 1 819 . 1 1 70 70 THR HG21 H 1 1.303 0.030 . 1 . . . . . 70 THR MG . 11573 1 820 . 1 1 70 70 THR HG22 H 1 1.303 0.030 . 1 . . . . . 70 THR MG . 11573 1 821 . 1 1 70 70 THR HG23 H 1 1.303 0.030 . 1 . . . . . 70 THR MG . 11573 1 822 . 1 1 70 70 THR C C 13 175.632 0.300 . 1 . . . . . 70 THR C . 11573 1 823 . 1 1 70 70 THR CA C 13 60.479 0.300 . 1 . . . . . 70 THR CA . 11573 1 824 . 1 1 70 70 THR CB C 13 71.034 0.300 . 1 . . . . . 70 THR CB . 11573 1 825 . 1 1 70 70 THR CG2 C 13 21.456 0.300 . 1 . . . . . 70 THR CG2 . 11573 1 826 . 1 1 70 70 THR N N 15 111.611 0.300 . 1 . . . . . 70 THR N . 11573 1 827 . 1 1 71 71 ASN H H 1 9.215 0.030 . 1 . . . . . 71 ASN H . 11573 1 828 . 1 1 71 71 ASN HA H 1 5.192 0.030 . 1 . . . . . 71 ASN HA . 11573 1 829 . 1 1 71 71 ASN HB2 H 1 2.870 0.030 . 2 . . . . . 71 ASN HB2 . 11573 1 830 . 1 1 71 71 ASN HB3 H 1 3.711 0.030 . 2 . . . . . 71 ASN HB3 . 11573 1 831 . 1 1 71 71 ASN HD21 H 1 7.670 0.030 . 2 . . . . . 71 ASN HD21 . 11573 1 832 . 1 1 71 71 ASN HD22 H 1 6.923 0.030 . 2 . . . . . 71 ASN HD22 . 11573 1 833 . 1 1 71 71 ASN C C 13 177.575 0.300 . 1 . . . . . 71 ASN C . 11573 1 834 . 1 1 71 71 ASN CA C 13 50.556 0.300 . 1 . . . . . 71 ASN CA . 11573 1 835 . 1 1 71 71 ASN CB C 13 39.417 0.300 . 1 . . . . . 71 ASN CB . 11573 1 836 . 1 1 71 71 ASN N N 15 124.319 0.300 . 1 . . . . . 71 ASN N . 11573 1 837 . 1 1 71 71 ASN ND2 N 15 112.957 0.300 . 1 . . . . . 71 ASN ND2 . 11573 1 838 . 1 1 72 72 ALA H H 1 8.463 0.030 . 1 . . . . . 72 ALA H . 11573 1 839 . 1 1 72 72 ALA HA H 1 4.213 0.030 . 1 . . . . . 72 ALA HA . 11573 1 840 . 1 1 72 72 ALA HB1 H 1 1.468 0.030 . 1 . . . . . 72 ALA MB . 11573 1 841 . 1 1 72 72 ALA HB2 H 1 1.468 0.030 . 1 . . . . . 72 ALA MB . 11573 1 842 . 1 1 72 72 ALA HB3 H 1 1.468 0.030 . 1 . . . . . 72 ALA MB . 11573 1 843 . 1 1 72 72 ALA C C 13 178.388 0.300 . 1 . . . . . 72 ALA C . 11573 1 844 . 1 1 72 72 ALA CA C 13 54.677 0.300 . 1 . . . . . 72 ALA CA . 11573 1 845 . 1 1 72 72 ALA CB C 13 18.490 0.300 . 1 . . . . . 72 ALA CB . 11573 1 846 . 1 1 72 72 ALA N N 15 120.543 0.300 . 1 . . . . . 72 ALA N . 11573 1 847 . 1 1 73 73 GLU H H 1 7.467 0.030 . 1 . . . . . 73 GLU H . 11573 1 848 . 1 1 73 73 GLU HA H 1 4.395 0.030 . 1 . . . . . 73 GLU HA . 11573 1 849 . 1 1 73 73 GLU HB2 H 1 1.882 0.030 . 2 . . . . . 73 GLU HB2 . 11573 1 850 . 1 1 73 73 GLU HB3 H 1 2.254 0.030 . 2 . . . . . 73 GLU HB3 . 11573 1 851 . 1 1 73 73 GLU HG2 H 1 2.142 0.030 . 2 . . . . . 73 GLU HG2 . 11573 1 852 . 1 1 73 73 GLU HG3 H 1 2.211 0.030 . 2 . . . . . 73 GLU HG3 . 11573 1 853 . 1 1 73 73 GLU C C 13 175.280 0.300 . 1 . . . . . 73 GLU C . 11573 1 854 . 1 1 73 73 GLU CA C 13 55.697 0.300 . 1 . . . . . 73 GLU CA . 11573 1 855 . 1 1 73 73 GLU CB C 13 29.489 0.300 . 1 . . . . . 73 GLU CB . 11573 1 856 . 1 1 73 73 GLU CG C 13 36.927 0.300 . 1 . . . . . 73 GLU CG . 11573 1 857 . 1 1 73 73 GLU N N 15 115.970 0.300 . 1 . . . . . 73 GLU N . 11573 1 858 . 1 1 74 74 ASN H H 1 8.323 0.030 . 1 . . . . . 74 ASN H . 11573 1 859 . 1 1 74 74 ASN HA H 1 4.313 0.030 . 1 . . . . . 74 ASN HA . 11573 1 860 . 1 1 74 74 ASN HB2 H 1 2.980 0.030 . 2 . . . . . 74 ASN HB2 . 11573 1 861 . 1 1 74 74 ASN HB3 H 1 3.163 0.030 . 2 . . . . . 74 ASN HB3 . 11573 1 862 . 1 1 74 74 ASN HD21 H 1 7.556 0.030 . 2 . . . . . 74 ASN HD21 . 11573 1 863 . 1 1 74 74 ASN HD22 H 1 6.865 0.030 . 2 . . . . . 74 ASN HD22 . 11573 1 864 . 1 1 74 74 ASN C C 13 174.637 0.300 . 1 . . . . . 74 ASN C . 11573 1 865 . 1 1 74 74 ASN CA C 13 54.900 0.300 . 1 . . . . . 74 ASN CA . 11573 1 866 . 1 1 74 74 ASN CB C 13 37.166 0.300 . 1 . . . . . 74 ASN CB . 11573 1 867 . 1 1 74 74 ASN N N 15 113.284 0.300 . 1 . . . . . 74 ASN N . 11573 1 868 . 1 1 74 74 ASN ND2 N 15 112.832 0.300 . 1 . . . . . 74 ASN ND2 . 11573 1 869 . 1 1 75 75 LYS H H 1 7.954 0.030 . 1 . . . . . 75 LYS H . 11573 1 870 . 1 1 75 75 LYS HA H 1 4.597 0.030 . 1 . . . . . 75 LYS HA . 11573 1 871 . 1 1 75 75 LYS HB2 H 1 1.627 0.030 . 1 . . . . . 75 LYS HB2 . 11573 1 872 . 1 1 75 75 LYS HB3 H 1 1.627 0.030 . 1 . . . . . 75 LYS HB3 . 11573 1 873 . 1 1 75 75 LYS HD2 H 1 1.409 0.030 . 2 . . . . . 75 LYS HD2 . 11573 1 874 . 1 1 75 75 LYS HD3 H 1 1.437 0.030 . 2 . . . . . 75 LYS HD3 . 11573 1 875 . 1 1 75 75 LYS HE2 H 1 2.861 0.030 . 1 . . . . . 75 LYS HE2 . 11573 1 876 . 1 1 75 75 LYS HE3 H 1 2.861 0.030 . 1 . . . . . 75 LYS HE3 . 11573 1 877 . 1 1 75 75 LYS HG2 H 1 1.200 0.030 . 2 . . . . . 75 LYS HG2 . 11573 1 878 . 1 1 75 75 LYS HG3 H 1 1.401 0.030 . 2 . . . . . 75 LYS HG3 . 11573 1 879 . 1 1 75 75 LYS C C 13 174.819 0.300 . 1 . . . . . 75 LYS C . 11573 1 880 . 1 1 75 75 LYS CA C 13 54.782 0.300 . 1 . . . . . 75 LYS CA . 11573 1 881 . 1 1 75 75 LYS CB C 13 33.815 0.300 . 1 . . . . . 75 LYS CB . 11573 1 882 . 1 1 75 75 LYS CD C 13 28.624 0.300 . 1 . . . . . 75 LYS CD . 11573 1 883 . 1 1 75 75 LYS CE C 13 42.432 0.300 . 1 . . . . . 75 LYS CE . 11573 1 884 . 1 1 75 75 LYS CG C 13 25.430 0.300 . 1 . . . . . 75 LYS CG . 11573 1 885 . 1 1 75 75 LYS N N 15 117.040 0.300 . 1 . . . . . 75 LYS N . 11573 1 886 . 1 1 76 76 LEU H H 1 9.075 0.030 . 1 . . . . . 76 LEU H . 11573 1 887 . 1 1 76 76 LEU HA H 1 5.612 0.030 . 1 . . . . . 76 LEU HA . 11573 1 888 . 1 1 76 76 LEU HB2 H 1 1.478 0.030 . 1 . . . . . 76 LEU HB2 . 11573 1 889 . 1 1 76 76 LEU HB3 H 1 1.326 0.030 . 1 . . . . . 76 LEU HB3 . 11573 1 890 . 1 1 76 76 LEU HD11 H 1 0.784 0.030 . 1 . . . . . 76 LEU MD1 . 11573 1 891 . 1 1 76 76 LEU HD12 H 1 0.784 0.030 . 1 . . . . . 76 LEU MD1 . 11573 1 892 . 1 1 76 76 LEU HD13 H 1 0.784 0.030 . 1 . . . . . 76 LEU MD1 . 11573 1 893 . 1 1 76 76 LEU HD21 H 1 0.844 0.030 . 1 . . . . . 76 LEU MD2 . 11573 1 894 . 1 1 76 76 LEU HD22 H 1 0.844 0.030 . 1 . . . . . 76 LEU MD2 . 11573 1 895 . 1 1 76 76 LEU HD23 H 1 0.844 0.030 . 1 . . . . . 76 LEU MD2 . 11573 1 896 . 1 1 76 76 LEU HG H 1 1.668 0.030 . 1 . . . . . 76 LEU HG . 11573 1 897 . 1 1 76 76 LEU C C 13 177.514 0.300 . 1 . . . . . 76 LEU C . 11573 1 898 . 1 1 76 76 LEU CA C 13 53.821 0.300 . 1 . . . . . 76 LEU CA . 11573 1 899 . 1 1 76 76 LEU CB C 13 44.854 0.300 . 1 . . . . . 76 LEU CB . 11573 1 900 . 1 1 76 76 LEU CD1 C 13 25.932 0.300 . 1 . . . . . 76 LEU CD1 . 11573 1 901 . 1 1 76 76 LEU CD2 C 13 24.340 0.300 . 1 . . . . . 76 LEU CD2 . 11573 1 902 . 1 1 76 76 LEU CG C 13 27.553 0.300 . 1 . . . . . 76 LEU CG . 11573 1 903 . 1 1 76 76 LEU N N 15 120.984 0.300 . 1 . . . . . 76 LEU N . 11573 1 904 . 1 1 77 77 TYR H H 1 8.859 0.030 . 1 . . . . . 77 TYR H . 11573 1 905 . 1 1 77 77 TYR HA H 1 5.308 0.030 . 1 . . . . . 77 TYR HA . 11573 1 906 . 1 1 77 77 TYR HB2 H 1 3.185 0.030 . 1 . . . . . 77 TYR HB2 . 11573 1 907 . 1 1 77 77 TYR HB3 H 1 3.042 0.030 . 1 . . . . . 77 TYR HB3 . 11573 1 908 . 1 1 77 77 TYR HD1 H 1 6.556 0.030 . 1 . . . . . 77 TYR HD1 . 11573 1 909 . 1 1 77 77 TYR HD2 H 1 6.556 0.030 . 1 . . . . . 77 TYR HD2 . 11573 1 910 . 1 1 77 77 TYR HE1 H 1 6.454 0.030 . 1 . . . . . 77 TYR HE1 . 11573 1 911 . 1 1 77 77 TYR HE2 H 1 6.454 0.030 . 1 . . . . . 77 TYR HE2 . 11573 1 912 . 1 1 77 77 TYR C C 13 173.022 0.300 . 1 . . . . . 77 TYR C . 11573 1 913 . 1 1 77 77 TYR CA C 13 57.631 0.300 . 1 . . . . . 77 TYR CA . 11573 1 914 . 1 1 77 77 TYR CB C 13 41.723 0.300 . 1 . . . . . 77 TYR CB . 11573 1 915 . 1 1 77 77 TYR CD1 C 13 133.999 0.300 . 1 . . . . . 77 TYR CD1 . 11573 1 916 . 1 1 77 77 TYR CD2 C 13 133.999 0.300 . 1 . . . . . 77 TYR CD2 . 11573 1 917 . 1 1 77 77 TYR CE1 C 13 117.677 0.300 . 1 . . . . . 77 TYR CE1 . 11573 1 918 . 1 1 77 77 TYR CE2 C 13 117.677 0.300 . 1 . . . . . 77 TYR CE2 . 11573 1 919 . 1 1 77 77 TYR N N 15 115.451 0.300 . 1 . . . . . 77 TYR N . 11573 1 920 . 1 1 78 78 LEU H H 1 10.282 0.030 . 1 . . . . . 78 LEU H . 11573 1 921 . 1 1 78 78 LEU HA H 1 4.654 0.030 . 1 . . . . . 78 LEU HA . 11573 1 922 . 1 1 78 78 LEU HB2 H 1 1.492 0.030 . 1 . . . . . 78 LEU HB2 . 11573 1 923 . 1 1 78 78 LEU HB3 H 1 1.135 0.030 . 1 . . . . . 78 LEU HB3 . 11573 1 924 . 1 1 78 78 LEU HD11 H 1 0.134 0.030 . 1 . . . . . 78 LEU MD1 . 11573 1 925 . 1 1 78 78 LEU HD12 H 1 0.134 0.030 . 1 . . . . . 78 LEU MD1 . 11573 1 926 . 1 1 78 78 LEU HD13 H 1 0.134 0.030 . 1 . . . . . 78 LEU MD1 . 11573 1 927 . 1 1 78 78 LEU HD21 H 1 0.648 0.030 . 1 . . . . . 78 LEU MD2 . 11573 1 928 . 1 1 78 78 LEU HD22 H 1 0.648 0.030 . 1 . . . . . 78 LEU MD2 . 11573 1 929 . 1 1 78 78 LEU HD23 H 1 0.648 0.030 . 1 . . . . . 78 LEU MD2 . 11573 1 930 . 1 1 78 78 LEU HG H 1 1.478 0.030 . 1 . . . . . 78 LEU HG . 11573 1 931 . 1 1 78 78 LEU C C 13 177.271 0.300 . 1 . . . . . 78 LEU C . 11573 1 932 . 1 1 78 78 LEU CA C 13 55.582 0.300 . 1 . . . . . 78 LEU CA . 11573 1 933 . 1 1 78 78 LEU CB C 13 44.236 0.300 . 1 . . . . . 78 LEU CB . 11573 1 934 . 1 1 78 78 LEU CD1 C 13 24.010 0.300 . 1 . . . . . 78 LEU CD1 . 11573 1 935 . 1 1 78 78 LEU CD2 C 13 24.049 0.300 . 1 . . . . . 78 LEU CD2 . 11573 1 936 . 1 1 78 78 LEU CG C 13 26.760 0.300 . 1 . . . . . 78 LEU CG . 11573 1 937 . 1 1 78 78 LEU N N 15 119.660 0.300 . 1 . . . . . 78 LEU N . 11573 1 938 . 1 1 79 79 ALA H H 1 9.515 0.030 . 1 . . . . . 79 ALA H . 11573 1 939 . 1 1 79 79 ALA HA H 1 4.827 0.030 . 1 . . . . . 79 ALA HA . 11573 1 940 . 1 1 79 79 ALA HB1 H 1 1.575 0.030 . 1 . . . . . 79 ALA MB . 11573 1 941 . 1 1 79 79 ALA HB2 H 1 1.575 0.030 . 1 . . . . . 79 ALA MB . 11573 1 942 . 1 1 79 79 ALA HB3 H 1 1.575 0.030 . 1 . . . . . 79 ALA MB . 11573 1 943 . 1 1 79 79 ALA C C 13 176.239 0.300 . 1 . . . . . 79 ALA C . 11573 1 944 . 1 1 79 79 ALA CA C 13 50.618 0.300 . 1 . . . . . 79 ALA CA . 11573 1 945 . 1 1 79 79 ALA CB C 13 21.782 0.300 . 1 . . . . . 79 ALA CB . 11573 1 946 . 1 1 79 79 ALA N N 15 124.958 0.300 . 1 . . . . . 79 ALA N . 11573 1 947 . 1 1 80 80 GLU H H 1 8.768 0.030 . 1 . . . . . 80 GLU H . 11573 1 948 . 1 1 80 80 GLU HA H 1 2.997 0.030 . 1 . . . . . 80 GLU HA . 11573 1 949 . 1 1 80 80 GLU HB2 H 1 1.755 0.030 . 2 . . . . . 80 GLU HB2 . 11573 1 950 . 1 1 80 80 GLU HB3 H 1 1.697 0.030 . 2 . . . . . 80 GLU HB3 . 11573 1 951 . 1 1 80 80 GLU HG2 H 1 2.094 0.030 . 1 . . . . . 80 GLU HG2 . 11573 1 952 . 1 1 80 80 GLU HG3 H 1 2.094 0.030 . 1 . . . . . 80 GLU HG3 . 11573 1 953 . 1 1 80 80 GLU C C 13 176.081 0.300 . 1 . . . . . 80 GLU C . 11573 1 954 . 1 1 80 80 GLU CA C 13 58.824 0.300 . 1 . . . . . 80 GLU CA . 11573 1 955 . 1 1 80 80 GLU CB C 13 29.598 0.300 . 1 . . . . . 80 GLU CB . 11573 1 956 . 1 1 80 80 GLU CG C 13 36.325 0.300 . 1 . . . . . 80 GLU CG . 11573 1 957 . 1 1 80 80 GLU N N 15 121.942 0.300 . 1 . . . . . 80 GLU N . 11573 1 958 . 1 1 81 81 ASN H H 1 8.175 0.030 . 1 . . . . . 81 ASN H . 11573 1 959 . 1 1 81 81 ASN HA H 1 4.053 0.030 . 1 . . . . . 81 ASN HA . 11573 1 960 . 1 1 81 81 ASN HB2 H 1 2.461 0.030 . 2 . . . . . 81 ASN HB2 . 11573 1 961 . 1 1 81 81 ASN HB3 H 1 2.646 0.030 . 2 . . . . . 81 ASN HB3 . 11573 1 962 . 1 1 81 81 ASN HD21 H 1 7.262 0.030 . 2 . . . . . 81 ASN HD21 . 11573 1 963 . 1 1 81 81 ASN HD22 H 1 6.837 0.030 . 2 . . . . . 81 ASN HD22 . 11573 1 964 . 1 1 81 81 ASN C C 13 174.200 0.300 . 1 . . . . . 81 ASN C . 11573 1 965 . 1 1 81 81 ASN CA C 13 54.871 0.300 . 1 . . . . . 81 ASN CA . 11573 1 966 . 1 1 81 81 ASN CB C 13 37.357 0.300 . 1 . . . . . 81 ASN CB . 11573 1 967 . 1 1 81 81 ASN N N 15 112.521 0.300 . 1 . . . . . 81 ASN N . 11573 1 968 . 1 1 81 81 ASN ND2 N 15 113.257 0.300 . 1 . . . . . 81 ASN ND2 . 11573 1 969 . 1 1 82 82 TYR H H 1 8.080 0.030 . 1 . . . . . 82 TYR H . 11573 1 970 . 1 1 82 82 TYR HA H 1 4.319 0.030 . 1 . . . . . 82 TYR HA . 11573 1 971 . 1 1 82 82 TYR HB2 H 1 3.273 0.030 . 1 . . . . . 82 TYR HB2 . 11573 1 972 . 1 1 82 82 TYR HB3 H 1 2.574 0.030 . 1 . . . . . 82 TYR HB3 . 11573 1 973 . 1 1 82 82 TYR HD1 H 1 6.853 0.030 . 1 . . . . . 82 TYR HD1 . 11573 1 974 . 1 1 82 82 TYR HD2 H 1 6.853 0.030 . 1 . . . . . 82 TYR HD2 . 11573 1 975 . 1 1 82 82 TYR HE1 H 1 6.815 0.030 . 1 . . . . . 82 TYR HE1 . 11573 1 976 . 1 1 82 82 TYR HE2 H 1 6.815 0.030 . 1 . . . . . 82 TYR HE2 . 11573 1 977 . 1 1 82 82 TYR C C 13 173.241 0.300 . 1 . . . . . 82 TYR C . 11573 1 978 . 1 1 82 82 TYR CA C 13 57.420 0.300 . 1 . . . . . 82 TYR CA . 11573 1 979 . 1 1 82 82 TYR CB C 13 37.810 0.300 . 1 . . . . . 82 TYR CB . 11573 1 980 . 1 1 82 82 TYR CD1 C 13 133.865 0.300 . 1 . . . . . 82 TYR CD1 . 11573 1 981 . 1 1 82 82 TYR CD2 C 13 133.865 0.300 . 1 . . . . . 82 TYR CD2 . 11573 1 982 . 1 1 82 82 TYR CE1 C 13 117.961 0.300 . 1 . . . . . 82 TYR CE1 . 11573 1 983 . 1 1 82 82 TYR CE2 C 13 117.961 0.300 . 1 . . . . . 82 TYR CE2 . 11573 1 984 . 1 1 82 82 TYR N N 15 123.078 0.300 . 1 . . . . . 82 TYR N . 11573 1 985 . 1 1 83 83 CYS H H 1 7.365 0.030 . 1 . . . . . 83 CYS H . 11573 1 986 . 1 1 83 83 CYS HA H 1 5.422 0.030 . 1 . . . . . 83 CYS HA . 11573 1 987 . 1 1 83 83 CYS HB2 H 1 2.416 0.030 . 2 . . . . . 83 CYS HB2 . 11573 1 988 . 1 1 83 83 CYS HB3 H 1 2.522 0.030 . 2 . . . . . 83 CYS HB3 . 11573 1 989 . 1 1 83 83 CYS C C 13 174.904 0.300 . 1 . . . . . 83 CYS C . 11573 1 990 . 1 1 83 83 CYS CA C 13 55.654 0.300 . 1 . . . . . 83 CYS CA . 11573 1 991 . 1 1 83 83 CYS CB C 13 30.189 0.300 . 1 . . . . . 83 CYS CB . 11573 1 992 . 1 1 83 83 CYS N N 15 117.531 0.300 . 1 . . . . . 83 CYS N . 11573 1 993 . 1 1 84 84 PHE H H 1 9.521 0.030 . 1 . . . . . 84 PHE H . 11573 1 994 . 1 1 84 84 PHE HA H 1 4.877 0.030 . 1 . . . . . 84 PHE HA . 11573 1 995 . 1 1 84 84 PHE HB2 H 1 2.621 0.030 . 1 . . . . . 84 PHE HB2 . 11573 1 996 . 1 1 84 84 PHE HB3 H 1 3.279 0.030 . 1 . . . . . 84 PHE HB3 . 11573 1 997 . 1 1 84 84 PHE HD1 H 1 7.292 0.030 . 1 . . . . . 84 PHE HD1 . 11573 1 998 . 1 1 84 84 PHE HD2 H 1 7.292 0.030 . 1 . . . . . 84 PHE HD2 . 11573 1 999 . 1 1 84 84 PHE HE1 H 1 7.013 0.030 . 1 . . . . . 84 PHE HE1 . 11573 1 1000 . 1 1 84 84 PHE HE2 H 1 7.013 0.030 . 1 . . . . . 84 PHE HE2 . 11573 1 1001 . 1 1 84 84 PHE HZ H 1 6.157 0.030 . 1 . . . . . 84 PHE HZ . 11573 1 1002 . 1 1 84 84 PHE C C 13 175.875 0.300 . 1 . . . . . 84 PHE C . 11573 1 1003 . 1 1 84 84 PHE CA C 13 57.794 0.300 . 1 . . . . . 84 PHE CA . 11573 1 1004 . 1 1 84 84 PHE CB C 13 45.637 0.300 . 1 . . . . . 84 PHE CB . 11573 1 1005 . 1 1 84 84 PHE CD1 C 13 132.204 0.300 . 1 . . . . . 84 PHE CD1 . 11573 1 1006 . 1 1 84 84 PHE CD2 C 13 132.204 0.300 . 1 . . . . . 84 PHE CD2 . 11573 1 1007 . 1 1 84 84 PHE CE1 C 13 131.000 0.300 . 1 . . . . . 84 PHE CE1 . 11573 1 1008 . 1 1 84 84 PHE CE2 C 13 131.000 0.300 . 1 . . . . . 84 PHE CE2 . 11573 1 1009 . 1 1 84 84 PHE CZ C 13 130.030 0.300 . 1 . . . . . 84 PHE CZ . 11573 1 1010 . 1 1 84 84 PHE N N 15 118.745 0.300 . 1 . . . . . 84 PHE N . 11573 1 1011 . 1 1 85 85 ASP H H 1 9.109 0.030 . 1 . . . . . 85 ASP H . 11573 1 1012 . 1 1 85 85 ASP HA H 1 4.667 0.030 . 1 . . . . . 85 ASP HA . 11573 1 1013 . 1 1 85 85 ASP HB2 H 1 2.744 0.030 . 2 . . . . . 85 ASP HB2 . 11573 1 1014 . 1 1 85 85 ASP HB3 H 1 2.803 0.030 . 2 . . . . . 85 ASP HB3 . 11573 1 1015 . 1 1 85 85 ASP C C 13 175.681 0.300 . 1 . . . . . 85 ASP C . 11573 1 1016 . 1 1 85 85 ASP CA C 13 55.854 0.300 . 1 . . . . . 85 ASP CA . 11573 1 1017 . 1 1 85 85 ASP CB C 13 41.858 0.300 . 1 . . . . . 85 ASP CB . 11573 1 1018 . 1 1 85 85 ASP N N 15 117.494 0.300 . 1 . . . . . 85 ASP N . 11573 1 1019 . 1 1 86 86 SER H H 1 7.462 0.030 . 1 . . . . . 86 SER H . 11573 1 1020 . 1 1 86 86 SER HA H 1 4.785 0.030 . 1 . . . . . 86 SER HA . 11573 1 1021 . 1 1 86 86 SER HB2 H 1 4.006 0.030 . 2 . . . . . 86 SER HB2 . 11573 1 1022 . 1 1 86 86 SER HB3 H 1 4.112 0.030 . 2 . . . . . 86 SER HB3 . 11573 1 1023 . 1 1 86 86 SER C C 13 173.556 0.300 . 1 . . . . . 86 SER C . 11573 1 1024 . 1 1 86 86 SER CA C 13 56.379 0.300 . 1 . . . . . 86 SER CA . 11573 1 1025 . 1 1 86 86 SER CB C 13 66.516 0.300 . 1 . . . . . 86 SER CB . 11573 1 1026 . 1 1 86 86 SER N N 15 109.674 0.300 . 1 . . . . . 86 SER N . 11573 1 1027 . 1 1 87 87 ILE H H 1 9.583 0.030 . 1 . . . . . 87 ILE H . 11573 1 1028 . 1 1 87 87 ILE HA H 1 3.902 0.030 . 1 . . . . . 87 ILE HA . 11573 1 1029 . 1 1 87 87 ILE HB H 1 2.066 0.030 . 1 . . . . . 87 ILE HB . 11573 1 1030 . 1 1 87 87 ILE HD11 H 1 0.588 0.030 . 1 . . . . . 87 ILE MD . 11573 1 1031 . 1 1 87 87 ILE HD12 H 1 0.588 0.030 . 1 . . . . . 87 ILE MD . 11573 1 1032 . 1 1 87 87 ILE HD13 H 1 0.588 0.030 . 1 . . . . . 87 ILE MD . 11573 1 1033 . 1 1 87 87 ILE HG12 H 1 1.103 0.030 . 1 . . . . . 87 ILE HG12 . 11573 1 1034 . 1 1 87 87 ILE HG13 H 1 1.323 0.030 . 1 . . . . . 87 ILE HG13 . 11573 1 1035 . 1 1 87 87 ILE HG21 H 1 0.660 0.030 . 1 . . . . . 87 ILE MG . 11573 1 1036 . 1 1 87 87 ILE HG22 H 1 0.660 0.030 . 1 . . . . . 87 ILE MG . 11573 1 1037 . 1 1 87 87 ILE HG23 H 1 0.660 0.030 . 1 . . . . . 87 ILE MG . 11573 1 1038 . 1 1 87 87 ILE C C 13 174.685 0.300 . 1 . . . . . 87 ILE C . 11573 1 1039 . 1 1 87 87 ILE CA C 13 64.355 0.300 . 1 . . . . . 87 ILE CA . 11573 1 1040 . 1 1 87 87 ILE CB C 13 34.097 0.300 . 1 . . . . . 87 ILE CB . 11573 1 1041 . 1 1 87 87 ILE CD1 C 13 11.773 0.300 . 1 . . . . . 87 ILE CD1 . 11573 1 1042 . 1 1 87 87 ILE CG1 C 13 28.665 0.300 . 1 . . . . . 87 ILE CG1 . 11573 1 1043 . 1 1 87 87 ILE CG2 C 13 17.689 0.300 . 1 . . . . . 87 ILE CG2 . 11573 1 1044 . 1 1 87 87 ILE N N 15 121.121 0.300 . 1 . . . . . 87 ILE N . 11573 1 1045 . 1 1 88 88 PRO HA H 1 4.066 0.030 . 1 . . . . . 88 PRO HA . 11573 1 1046 . 1 1 88 88 PRO HB2 H 1 1.800 0.030 . 1 . . . . . 88 PRO HB2 . 11573 1 1047 . 1 1 88 88 PRO HB3 H 1 2.319 0.030 . 1 . . . . . 88 PRO HB3 . 11573 1 1048 . 1 1 88 88 PRO HD2 H 1 3.745 0.030 . 1 . . . . . 88 PRO HD2 . 11573 1 1049 . 1 1 88 88 PRO HD3 H 1 3.684 0.030 . 1 . . . . . 88 PRO HD3 . 11573 1 1050 . 1 1 88 88 PRO HG2 H 1 1.552 0.030 . 2 . . . . . 88 PRO HG2 . 11573 1 1051 . 1 1 88 88 PRO HG3 H 1 2.310 0.030 . 2 . . . . . 88 PRO HG3 . 11573 1 1052 . 1 1 88 88 PRO C C 13 179.298 0.300 . 1 . . . . . 88 PRO C . 11573 1 1053 . 1 1 88 88 PRO CA C 13 66.939 0.300 . 1 . . . . . 88 PRO CA . 11573 1 1054 . 1 1 88 88 PRO CB C 13 31.013 0.300 . 1 . . . . . 88 PRO CB . 11573 1 1055 . 1 1 88 88 PRO CD C 13 49.520 0.300 . 1 . . . . . 88 PRO CD . 11573 1 1056 . 1 1 88 88 PRO CG C 13 29.354 0.300 . 1 . . . . . 88 PRO CG . 11573 1 1057 . 1 1 89 89 LYS H H 1 7.248 0.030 . 1 . . . . . 89 LYS H . 11573 1 1058 . 1 1 89 89 LYS HA H 1 4.000 0.030 . 1 . . . . . 89 LYS HA . 11573 1 1059 . 1 1 89 89 LYS HB2 H 1 1.890 0.030 . 2 . . . . . 89 LYS HB2 . 11573 1 1060 . 1 1 89 89 LYS HB3 H 1 2.009 0.030 . 2 . . . . . 89 LYS HB3 . 11573 1 1061 . 1 1 89 89 LYS HD2 H 1 1.813 0.030 . 2 . . . . . 89 LYS HD2 . 11573 1 1062 . 1 1 89 89 LYS HD3 H 1 1.915 0.030 . 2 . . . . . 89 LYS HD3 . 11573 1 1063 . 1 1 89 89 LYS HE2 H 1 3.055 0.030 . 1 . . . . . 89 LYS HE2 . 11573 1 1064 . 1 1 89 89 LYS HE3 H 1 3.055 0.030 . 1 . . . . . 89 LYS HE3 . 11573 1 1065 . 1 1 89 89 LYS HG2 H 1 1.504 0.030 . 1 . . . . . 89 LYS HG2 . 11573 1 1066 . 1 1 89 89 LYS HG3 H 1 1.504 0.030 . 1 . . . . . 89 LYS HG3 . 11573 1 1067 . 1 1 89 89 LYS C C 13 177.926 0.300 . 1 . . . . . 89 LYS C . 11573 1 1068 . 1 1 89 89 LYS CA C 13 59.818 0.300 . 1 . . . . . 89 LYS CA . 11573 1 1069 . 1 1 89 89 LYS CB C 13 33.156 0.300 . 1 . . . . . 89 LYS CB . 11573 1 1070 . 1 1 89 89 LYS CD C 13 29.763 0.300 . 1 . . . . . 89 LYS CD . 11573 1 1071 . 1 1 89 89 LYS CE C 13 42.218 0.300 . 1 . . . . . 89 LYS CE . 11573 1 1072 . 1 1 89 89 LYS CG C 13 26.799 0.300 . 1 . . . . . 89 LYS CG . 11573 1 1073 . 1 1 89 89 LYS N N 15 116.161 0.300 . 1 . . . . . 89 LYS N . 11573 1 1074 . 1 1 90 90 LEU H H 1 7.549 0.030 . 1 . . . . . 90 LEU H . 11573 1 1075 . 1 1 90 90 LEU HA H 1 3.101 0.030 . 1 . . . . . 90 LEU HA . 11573 1 1076 . 1 1 90 90 LEU HB2 H 1 1.480 0.030 . 1 . . . . . 90 LEU HB2 . 11573 1 1077 . 1 1 90 90 LEU HB3 H 1 2.141 0.030 . 1 . . . . . 90 LEU HB3 . 11573 1 1078 . 1 1 90 90 LEU HD11 H 1 1.292 0.030 . 1 . . . . . 90 LEU MD1 . 11573 1 1079 . 1 1 90 90 LEU HD12 H 1 1.292 0.030 . 1 . . . . . 90 LEU MD1 . 11573 1 1080 . 1 1 90 90 LEU HD13 H 1 1.292 0.030 . 1 . . . . . 90 LEU MD1 . 11573 1 1081 . 1 1 90 90 LEU HD21 H 1 0.668 0.030 . 1 . . . . . 90 LEU MD2 . 11573 1 1082 . 1 1 90 90 LEU HD22 H 1 0.668 0.030 . 1 . . . . . 90 LEU MD2 . 11573 1 1083 . 1 1 90 90 LEU HD23 H 1 0.668 0.030 . 1 . . . . . 90 LEU MD2 . 11573 1 1084 . 1 1 90 90 LEU HG H 1 1.588 0.030 . 1 . . . . . 90 LEU HG . 11573 1 1085 . 1 1 90 90 LEU C C 13 177.489 0.300 . 1 . . . . . 90 LEU C . 11573 1 1086 . 1 1 90 90 LEU CA C 13 58.072 0.300 . 1 . . . . . 90 LEU CA . 11573 1 1087 . 1 1 90 90 LEU CB C 13 43.133 0.300 . 1 . . . . . 90 LEU CB . 11573 1 1088 . 1 1 90 90 LEU CD1 C 13 27.233 0.300 . 1 . . . . . 90 LEU CD1 . 11573 1 1089 . 1 1 90 90 LEU CD2 C 13 26.303 0.300 . 1 . . . . . 90 LEU CD2 . 11573 1 1090 . 1 1 90 90 LEU CG C 13 27.168 0.300 . 1 . . . . . 90 LEU CG . 11573 1 1091 . 1 1 90 90 LEU N N 15 123.515 0.300 . 1 . . . . . 90 LEU N . 11573 1 1092 . 1 1 91 91 ILE H H 1 8.343 0.030 . 1 . . . . . 91 ILE H . 11573 1 1093 . 1 1 91 91 ILE HA H 1 3.200 0.030 . 1 . . . . . 91 ILE HA . 11573 1 1094 . 1 1 91 91 ILE HB H 1 1.296 0.030 . 1 . . . . . 91 ILE HB . 11573 1 1095 . 1 1 91 91 ILE HD11 H 1 -0.043 0.030 . 1 . . . . . 91 ILE MD . 11573 1 1096 . 1 1 91 91 ILE HD12 H 1 -0.043 0.030 . 1 . . . . . 91 ILE MD . 11573 1 1097 . 1 1 91 91 ILE HD13 H 1 -0.043 0.030 . 1 . . . . . 91 ILE MD . 11573 1 1098 . 1 1 91 91 ILE HG12 H 1 1.112 0.030 . 2 . . . . . 91 ILE HG12 . 11573 1 1099 . 1 1 91 91 ILE HG13 H 1 -0.563 0.030 . 2 . . . . . 91 ILE HG13 . 11573 1 1100 . 1 1 91 91 ILE HG21 H 1 -0.341 0.030 . 1 . . . . . 91 ILE MG . 11573 1 1101 . 1 1 91 91 ILE HG22 H 1 -0.341 0.030 . 1 . . . . . 91 ILE MG . 11573 1 1102 . 1 1 91 91 ILE HG23 H 1 -0.341 0.030 . 1 . . . . . 91 ILE MG . 11573 1 1103 . 1 1 91 91 ILE C C 13 177.368 0.300 . 1 . . . . . 91 ILE C . 11573 1 1104 . 1 1 91 91 ILE CA C 13 61.034 0.300 . 1 . . . . . 91 ILE CA . 11573 1 1105 . 1 1 91 91 ILE CB C 13 34.545 0.300 . 1 . . . . . 91 ILE CB . 11573 1 1106 . 1 1 91 91 ILE CD1 C 13 7.533 0.300 . 1 . . . . . 91 ILE CD1 . 11573 1 1107 . 1 1 91 91 ILE CG1 C 13 25.488 0.300 . 1 . . . . . 91 ILE CG1 . 11573 1 1108 . 1 1 91 91 ILE CG2 C 13 16.184 0.300 . 1 . . . . . 91 ILE CG2 . 11573 1 1109 . 1 1 91 91 ILE N N 15 117.887 0.300 . 1 . . . . . 91 ILE N . 11573 1 1110 . 1 1 92 92 HIS H H 1 8.049 0.030 . 1 . . . . . 92 HIS H . 11573 1 1111 . 1 1 92 92 HIS HA H 1 4.534 0.030 . 1 . . . . . 92 HIS HA . 11573 1 1112 . 1 1 92 92 HIS HB2 H 1 3.062 0.030 . 2 . . . . . 92 HIS HB2 . 11573 1 1113 . 1 1 92 92 HIS HB3 H 1 3.318 0.030 . 2 . . . . . 92 HIS HB3 . 11573 1 1114 . 1 1 92 92 HIS HD2 H 1 7.121 0.030 . 1 . . . . . 92 HIS HD2 . 11573 1 1115 . 1 1 92 92 HIS C C 13 178.715 0.300 . 1 . . . . . 92 HIS C . 11573 1 1116 . 1 1 92 92 HIS CA C 13 60.473 0.300 . 1 . . . . . 92 HIS CA . 11573 1 1117 . 1 1 92 92 HIS CB C 13 30.437 0.300 . 1 . . . . . 92 HIS CB . 11573 1 1118 . 1 1 92 92 HIS CD2 C 13 119.577 0.300 . 1 . . . . . 92 HIS CD2 . 11573 1 1119 . 1 1 92 92 HIS N N 15 117.765 0.300 . 1 . . . . . 92 HIS N . 11573 1 1120 . 1 1 93 93 TYR H H 1 7.593 0.030 . 1 . . . . . 93 TYR H . 11573 1 1121 . 1 1 93 93 TYR HA H 1 3.905 0.030 . 1 . . . . . 93 TYR HA . 11573 1 1122 . 1 1 93 93 TYR HB2 H 1 2.471 0.030 . 2 . . . . . 93 TYR HB2 . 11573 1 1123 . 1 1 93 93 TYR HB3 H 1 2.610 0.030 . 2 . . . . . 93 TYR HB3 . 11573 1 1124 . 1 1 93 93 TYR C C 13 179.541 0.300 . 1 . . . . . 93 TYR C . 11573 1 1125 . 1 1 93 93 TYR CA C 13 63.064 0.300 . 1 . . . . . 93 TYR CA . 11573 1 1126 . 1 1 93 93 TYR CB C 13 39.016 0.300 . 1 . . . . . 93 TYR CB . 11573 1 1127 . 1 1 93 93 TYR N N 15 118.586 0.300 . 1 . . . . . 93 TYR N . 11573 1 1128 . 1 1 94 94 HIS H H 1 7.803 0.030 . 1 . . . . . 94 HIS H . 11573 1 1129 . 1 1 94 94 HIS HA H 1 4.252 0.030 . 1 . . . . . 94 HIS HA . 11573 1 1130 . 1 1 94 94 HIS HB2 H 1 2.695 0.030 . 2 . . . . . 94 HIS HB2 . 11573 1 1131 . 1 1 94 94 HIS HB3 H 1 3.063 0.030 . 2 . . . . . 94 HIS HB3 . 11573 1 1132 . 1 1 94 94 HIS HD2 H 1 7.152 0.030 . 1 . . . . . 94 HIS HD2 . 11573 1 1133 . 1 1 94 94 HIS C C 13 175.559 0.300 . 1 . . . . . 94 HIS C . 11573 1 1134 . 1 1 94 94 HIS CA C 13 59.071 0.300 . 1 . . . . . 94 HIS CA . 11573 1 1135 . 1 1 94 94 HIS CB C 13 27.965 0.300 . 1 . . . . . 94 HIS CB . 11573 1 1136 . 1 1 94 94 HIS CD2 C 13 129.780 0.300 . 1 . . . . . 94 HIS CD2 . 11573 1 1137 . 1 1 94 94 HIS N N 15 118.422 0.300 . 1 . . . . . 94 HIS N . 11573 1 1138 . 1 1 95 95 GLN H H 1 8.304 0.030 . 1 . . . . . 95 GLN H . 11573 1 1139 . 1 1 95 95 GLN HA H 1 4.682 0.030 . 1 . . . . . 95 GLN HA . 11573 1 1140 . 1 1 95 95 GLN HB2 H 1 1.459 0.030 . 2 . . . . . 95 GLN HB2 . 11573 1 1141 . 1 1 95 95 GLN HB3 H 1 2.048 0.030 . 2 . . . . . 95 GLN HB3 . 11573 1 1142 . 1 1 95 95 GLN HE21 H 1 7.658 0.030 . 2 . . . . . 95 GLN HE21 . 11573 1 1143 . 1 1 95 95 GLN HE22 H 1 7.146 0.030 . 2 . . . . . 95 GLN HE22 . 11573 1 1144 . 1 1 95 95 GLN HG2 H 1 2.232 0.030 . 2 . . . . . 95 GLN HG2 . 11573 1 1145 . 1 1 95 95 GLN HG3 H 1 1.966 0.030 . 2 . . . . . 95 GLN HG3 . 11573 1 1146 . 1 1 95 95 GLN C C 13 177.611 0.300 . 1 . . . . . 95 GLN C . 11573 1 1147 . 1 1 95 95 GLN CA C 13 57.039 0.300 . 1 . . . . . 95 GLN CA . 11573 1 1148 . 1 1 95 95 GLN CB C 13 30.807 0.300 . 1 . . . . . 95 GLN CB . 11573 1 1149 . 1 1 95 95 GLN CG C 13 35.133 0.300 . 1 . . . . . 95 GLN CG . 11573 1 1150 . 1 1 95 95 GLN N N 15 118.707 0.300 . 1 . . . . . 95 GLN N . 11573 1 1151 . 1 1 95 95 GLN NE2 N 15 111.954 0.300 . 1 . . . . . 95 GLN NE2 . 11573 1 1152 . 1 1 96 96 HIS H H 1 7.091 0.030 . 1 . . . . . 96 HIS H . 11573 1 1153 . 1 1 96 96 HIS HA H 1 4.300 0.030 . 1 . . . . . 96 HIS HA . 11573 1 1154 . 1 1 96 96 HIS HB2 H 1 2.430 0.030 . 2 . . . . . 96 HIS HB2 . 11573 1 1155 . 1 1 96 96 HIS HB3 H 1 3.132 0.030 . 2 . . . . . 96 HIS HB3 . 11573 1 1156 . 1 1 96 96 HIS HD2 H 1 6.819 0.030 . 1 . . . . . 96 HIS HD2 . 11573 1 1157 . 1 1 96 96 HIS C C 13 173.398 0.300 . 1 . . . . . 96 HIS C . 11573 1 1158 . 1 1 96 96 HIS CA C 13 57.197 0.300 . 1 . . . . . 96 HIS CA . 11573 1 1159 . 1 1 96 96 HIS CB C 13 31.590 0.300 . 1 . . . . . 96 HIS CB . 11573 1 1160 . 1 1 96 96 HIS CD2 C 13 122.101 0.300 . 1 . . . . . 96 HIS CD2 . 11573 1 1161 . 1 1 96 96 HIS N N 15 115.119 0.300 . 1 . . . . . 96 HIS N . 11573 1 1162 . 1 1 97 97 ASN H H 1 7.321 0.030 . 1 . . . . . 97 ASN H . 11573 1 1163 . 1 1 97 97 ASN HA H 1 4.672 0.030 . 1 . . . . . 97 ASN HA . 11573 1 1164 . 1 1 97 97 ASN HB2 H 1 1.383 0.030 . 2 . . . . . 97 ASN HB2 . 11573 1 1165 . 1 1 97 97 ASN HB3 H 1 1.975 0.030 . 2 . . . . . 97 ASN HB3 . 11573 1 1166 . 1 1 97 97 ASN HD21 H 1 6.707 0.030 . 2 . . . . . 97 ASN HD21 . 11573 1 1167 . 1 1 97 97 ASN HD22 H 1 6.836 0.030 . 2 . . . . . 97 ASN HD22 . 11573 1 1168 . 1 1 97 97 ASN C C 13 173.350 0.300 . 1 . . . . . 97 ASN C . 11573 1 1169 . 1 1 97 97 ASN CA C 13 52.369 0.300 . 1 . . . . . 97 ASN CA . 11573 1 1170 . 1 1 97 97 ASN CB C 13 42.630 0.300 . 1 . . . . . 97 ASN CB . 11573 1 1171 . 1 1 97 97 ASN N N 15 117.247 0.300 . 1 . . . . . 97 ASN N . 11573 1 1172 . 1 1 97 97 ASN ND2 N 15 118.800 0.300 . 1 . . . . . 97 ASN ND2 . 11573 1 1173 . 1 1 98 98 SER H H 1 8.602 0.030 . 1 . . . . . 98 SER H . 11573 1 1174 . 1 1 98 98 SER HA H 1 4.393 0.030 . 1 . . . . . 98 SER HA . 11573 1 1175 . 1 1 98 98 SER HB2 H 1 3.773 0.030 . 1 . . . . . 98 SER HB2 . 11573 1 1176 . 1 1 98 98 SER HB3 H 1 3.773 0.030 . 1 . . . . . 98 SER HB3 . 11573 1 1177 . 1 1 98 98 SER C C 13 173.010 0.300 . 1 . . . . . 98 SER C . 11573 1 1178 . 1 1 98 98 SER CA C 13 57.733 0.300 . 1 . . . . . 98 SER CA . 11573 1 1179 . 1 1 98 98 SER CB C 13 63.533 0.300 . 1 . . . . . 98 SER CB . 11573 1 1180 . 1 1 98 98 SER N N 15 117.270 0.300 . 1 . . . . . 98 SER N . 11573 1 1181 . 1 1 99 99 ALA H H 1 8.149 0.030 . 1 . . . . . 99 ALA H . 11573 1 1182 . 1 1 99 99 ALA HA H 1 4.380 0.030 . 1 . . . . . 99 ALA HA . 11573 1 1183 . 1 1 99 99 ALA HB1 H 1 0.727 0.030 . 1 . . . . . 99 ALA MB . 11573 1 1184 . 1 1 99 99 ALA HB2 H 1 0.727 0.030 . 1 . . . . . 99 ALA MB . 11573 1 1185 . 1 1 99 99 ALA HB3 H 1 0.727 0.030 . 1 . . . . . 99 ALA MB . 11573 1 1186 . 1 1 99 99 ALA C C 13 176.421 0.300 . 1 . . . . . 99 ALA C . 11573 1 1187 . 1 1 99 99 ALA CA C 13 51.340 0.300 . 1 . . . . . 99 ALA CA . 11573 1 1188 . 1 1 99 99 ALA CB C 13 21.045 0.300 . 1 . . . . . 99 ALA CB . 11573 1 1189 . 1 1 99 99 ALA N N 15 126.855 0.300 . 1 . . . . . 99 ALA N . 11573 1 1190 . 1 1 100 100 GLY H H 1 8.712 0.030 . 1 . . . . . 100 GLY H . 11573 1 1191 . 1 1 100 100 GLY HA2 H 1 3.806 0.030 . 1 . . . . . 100 GLY HA2 . 11573 1 1192 . 1 1 100 100 GLY HA3 H 1 3.806 0.030 . 1 . . . . . 100 GLY HA3 . 11573 1 1193 . 1 1 100 100 GLY CA C 13 47.071 0.300 . 1 . . . . . 100 GLY CA . 11573 1 1194 . 1 1 100 100 GLY N N 15 110.456 0.300 . 1 . . . . . 100 GLY N . 11573 1 1195 . 1 1 101 101 MET H H 1 8.765 0.030 . 1 . . . . . 101 MET H . 11573 1 1196 . 1 1 101 101 MET HA H 1 4.273 0.030 . 1 . . . . . 101 MET HA . 11573 1 1197 . 1 1 101 101 MET HB2 H 1 2.191 0.030 . 2 . . . . . 101 MET HB2 . 11573 1 1198 . 1 1 101 101 MET HB3 H 1 2.252 0.030 . 2 . . . . . 101 MET HB3 . 11573 1 1199 . 1 1 101 101 MET HG2 H 1 2.520 0.030 . 2 . . . . . 101 MET HG2 . 11573 1 1200 . 1 1 101 101 MET HG3 H 1 2.656 0.030 . 2 . . . . . 101 MET HG3 . 11573 1 1201 . 1 1 101 101 MET C C 13 175.511 0.300 . 1 . . . . . 101 MET C . 11573 1 1202 . 1 1 101 101 MET CA C 13 55.921 0.300 . 1 . . . . . 101 MET CA . 11573 1 1203 . 1 1 101 101 MET CB C 13 31.292 0.300 . 1 . . . . . 101 MET CB . 11573 1 1204 . 1 1 101 101 MET CG C 13 32.243 0.300 . 1 . . . . . 101 MET CG . 11573 1 1205 . 1 1 102 102 ILE H H 1 7.938 0.030 . 1 . . . . . 102 ILE H . 11573 1 1206 . 1 1 102 102 ILE HA H 1 3.809 0.030 . 1 . . . . . 102 ILE HA . 11573 1 1207 . 1 1 102 102 ILE HB H 1 1.999 0.030 . 1 . . . . . 102 ILE HB . 11573 1 1208 . 1 1 102 102 ILE HD11 H 1 0.082 0.030 . 1 . . . . . 102 ILE MD . 11573 1 1209 . 1 1 102 102 ILE HD12 H 1 0.082 0.030 . 1 . . . . . 102 ILE MD . 11573 1 1210 . 1 1 102 102 ILE HD13 H 1 0.082 0.030 . 1 . . . . . 102 ILE MD . 11573 1 1211 . 1 1 102 102 ILE HG12 H 1 0.943 0.030 . 2 . . . . . 102 ILE HG12 . 11573 1 1212 . 1 1 102 102 ILE HG13 H 1 1.029 0.030 . 2 . . . . . 102 ILE HG13 . 11573 1 1213 . 1 1 102 102 ILE HG21 H 1 0.481 0.030 . 1 . . . . . 102 ILE MG . 11573 1 1214 . 1 1 102 102 ILE HG22 H 1 0.481 0.030 . 1 . . . . . 102 ILE MG . 11573 1 1215 . 1 1 102 102 ILE HG23 H 1 0.481 0.030 . 1 . . . . . 102 ILE MG . 11573 1 1216 . 1 1 102 102 ILE CA C 13 60.239 0.300 . 1 . . . . . 102 ILE CA . 11573 1 1217 . 1 1 102 102 ILE CB C 13 36.485 0.300 . 1 . . . . . 102 ILE CB . 11573 1 1218 . 1 1 102 102 ILE CD1 C 13 11.460 0.300 . 1 . . . . . 102 ILE CD1 . 11573 1 1219 . 1 1 102 102 ILE CG1 C 13 26.769 0.300 . 1 . . . . . 102 ILE CG1 . 11573 1 1220 . 1 1 102 102 ILE CG2 C 13 15.747 0.300 . 1 . . . . . 102 ILE CG2 . 11573 1 1221 . 1 1 102 102 ILE N N 15 121.820 0.300 . 1 . . . . . 102 ILE N . 11573 1 1222 . 1 1 103 103 THR H H 1 7.570 0.030 . 1 . . . . . 103 THR H . 11573 1 1223 . 1 1 103 103 THR HA H 1 4.084 0.030 . 1 . . . . . 103 THR HA . 11573 1 1224 . 1 1 103 103 THR HB H 1 4.151 0.030 . 1 . . . . . 103 THR HB . 11573 1 1225 . 1 1 103 103 THR HG21 H 1 1.181 0.030 . 1 . . . . . 103 THR MG . 11573 1 1226 . 1 1 103 103 THR HG22 H 1 1.181 0.030 . 1 . . . . . 103 THR MG . 11573 1 1227 . 1 1 103 103 THR HG23 H 1 1.181 0.030 . 1 . . . . . 103 THR MG . 11573 1 1228 . 1 1 103 103 THR C C 13 172.500 0.300 . 1 . . . . . 103 THR C . 11573 1 1229 . 1 1 103 103 THR CA C 13 61.870 0.300 . 1 . . . . . 103 THR CA . 11573 1 1230 . 1 1 103 103 THR CB C 13 69.413 0.300 . 1 . . . . . 103 THR CB . 11573 1 1231 . 1 1 103 103 THR CG2 C 13 21.184 0.300 . 1 . . . . . 103 THR CG2 . 11573 1 1232 . 1 1 103 103 THR N N 15 123.058 0.300 . 1 . . . . . 103 THR N . 11573 1 1233 . 1 1 104 104 ARG H H 1 7.686 0.030 . 1 . . . . . 104 ARG H . 11573 1 1234 . 1 1 104 104 ARG HA H 1 3.937 0.030 . 1 . . . . . 104 ARG HA . 11573 1 1235 . 1 1 104 104 ARG HB2 H 1 1.399 0.030 . 1 . . . . . 104 ARG HB2 . 11573 1 1236 . 1 1 104 104 ARG HB3 H 1 1.399 0.030 . 1 . . . . . 104 ARG HB3 . 11573 1 1237 . 1 1 104 104 ARG HD2 H 1 2.723 0.030 . 1 . . . . . 104 ARG HD2 . 11573 1 1238 . 1 1 104 104 ARG HD3 H 1 2.723 0.030 . 1 . . . . . 104 ARG HD3 . 11573 1 1239 . 1 1 104 104 ARG HG2 H 1 1.019 0.030 . 2 . . . . . 104 ARG HG2 . 11573 1 1240 . 1 1 104 104 ARG HG3 H 1 1.244 0.030 . 2 . . . . . 104 ARG HG3 . 11573 1 1241 . 1 1 104 104 ARG C C 13 175.900 0.300 . 1 . . . . . 104 ARG C . 11573 1 1242 . 1 1 104 104 ARG CA C 13 57.226 0.300 . 1 . . . . . 104 ARG CA . 11573 1 1243 . 1 1 104 104 ARG CB C 13 30.889 0.300 . 1 . . . . . 104 ARG CB . 11573 1 1244 . 1 1 104 104 ARG CD C 13 43.645 0.300 . 1 . . . . . 104 ARG CD . 11573 1 1245 . 1 1 104 104 ARG CG C 13 27.280 0.300 . 1 . . . . . 104 ARG CG . 11573 1 1246 . 1 1 104 104 ARG N N 15 120.612 0.300 . 1 . . . . . 104 ARG N . 11573 1 1247 . 1 1 105 105 LEU H H 1 7.953 0.030 . 1 . . . . . 105 LEU H . 11573 1 1248 . 1 1 105 105 LEU HA H 1 3.716 0.030 . 1 . . . . . 105 LEU HA . 11573 1 1249 . 1 1 105 105 LEU HB2 H 1 0.548 0.030 . 1 . . . . . 105 LEU HB2 . 11573 1 1250 . 1 1 105 105 LEU HB3 H 1 -0.972 0.030 . 1 . . . . . 105 LEU HB3 . 11573 1 1251 . 1 1 105 105 LEU HD11 H 1 0.025 0.030 . 1 . . . . . 105 LEU MD1 . 11573 1 1252 . 1 1 105 105 LEU HD12 H 1 0.025 0.030 . 1 . . . . . 105 LEU MD1 . 11573 1 1253 . 1 1 105 105 LEU HD13 H 1 0.025 0.030 . 1 . . . . . 105 LEU MD1 . 11573 1 1254 . 1 1 105 105 LEU HD21 H 1 0.138 0.030 . 1 . . . . . 105 LEU MD2 . 11573 1 1255 . 1 1 105 105 LEU HD22 H 1 0.138 0.030 . 1 . . . . . 105 LEU MD2 . 11573 1 1256 . 1 1 105 105 LEU HD23 H 1 0.138 0.030 . 1 . . . . . 105 LEU MD2 . 11573 1 1257 . 1 1 105 105 LEU HG H 1 1.143 0.030 . 1 . . . . . 105 LEU HG . 11573 1 1258 . 1 1 105 105 LEU C C 13 175.754 0.300 . 1 . . . . . 105 LEU C . 11573 1 1259 . 1 1 105 105 LEU CA C 13 54.105 0.300 . 1 . . . . . 105 LEU CA . 11573 1 1260 . 1 1 105 105 LEU CB C 13 37.602 0.300 . 1 . . . . . 105 LEU CB . 11573 1 1261 . 1 1 105 105 LEU CD1 C 13 26.199 0.300 . 1 . . . . . 105 LEU CD1 . 11573 1 1262 . 1 1 105 105 LEU CD2 C 13 22.048 0.300 . 1 . . . . . 105 LEU CD2 . 11573 1 1263 . 1 1 105 105 LEU CG C 13 25.100 0.300 . 1 . . . . . 105 LEU CG . 11573 1 1264 . 1 1 105 105 LEU N N 15 125.372 0.300 . 1 . . . . . 105 LEU N . 11573 1 1265 . 1 1 106 106 ARG H H 1 8.386 0.030 . 1 . . . . . 106 ARG H . 11573 1 1266 . 1 1 106 106 ARG HA H 1 4.302 0.030 . 1 . . . . . 106 ARG HA . 11573 1 1267 . 1 1 106 106 ARG HB2 H 1 1.413 0.030 . 1 . . . . . 106 ARG HB2 . 11573 1 1268 . 1 1 106 106 ARG HB3 H 1 1.160 0.030 . 1 . . . . . 106 ARG HB3 . 11573 1 1269 . 1 1 106 106 ARG HD2 H 1 3.081 0.030 . 1 . . . . . 106 ARG HD2 . 11573 1 1270 . 1 1 106 106 ARG HD3 H 1 3.081 0.030 . 1 . . . . . 106 ARG HD3 . 11573 1 1271 . 1 1 106 106 ARG HG2 H 1 1.415 0.030 . 2 . . . . . 106 ARG HG2 . 11573 1 1272 . 1 1 106 106 ARG HG3 H 1 1.215 0.030 . 2 . . . . . 106 ARG HG3 . 11573 1 1273 . 1 1 106 106 ARG C C 13 176.567 0.300 . 1 . . . . . 106 ARG C . 11573 1 1274 . 1 1 106 106 ARG CA C 13 57.876 0.300 . 1 . . . . . 106 ARG CA . 11573 1 1275 . 1 1 106 106 ARG CB C 13 34.062 0.300 . 1 . . . . . 106 ARG CB . 11573 1 1276 . 1 1 106 106 ARG CD C 13 43.207 0.300 . 1 . . . . . 106 ARG CD . 11573 1 1277 . 1 1 106 106 ARG CG C 13 27.718 0.300 . 1 . . . . . 106 ARG CG . 11573 1 1278 . 1 1 106 106 ARG N N 15 122.522 0.300 . 1 . . . . . 106 ARG N . 11573 1 1279 . 1 1 107 107 HIS H H 1 7.560 0.030 . 1 . . . . . 107 HIS H . 11573 1 1280 . 1 1 107 107 HIS HA H 1 5.453 0.030 . 1 . . . . . 107 HIS HA . 11573 1 1281 . 1 1 107 107 HIS HB2 H 1 2.743 0.030 . 1 . . . . . 107 HIS HB2 . 11573 1 1282 . 1 1 107 107 HIS HB3 H 1 3.001 0.030 . 1 . . . . . 107 HIS HB3 . 11573 1 1283 . 1 1 107 107 HIS HD2 H 1 6.858 0.030 . 1 . . . . . 107 HIS HD2 . 11573 1 1284 . 1 1 107 107 HIS C C 13 171.554 0.300 . 1 . . . . . 107 HIS C . 11573 1 1285 . 1 1 107 107 HIS CA C 13 52.492 0.300 . 1 . . . . . 107 HIS CA . 11573 1 1286 . 1 1 107 107 HIS CB C 13 32.743 0.300 . 1 . . . . . 107 HIS CB . 11573 1 1287 . 1 1 107 107 HIS CD2 C 13 121.117 0.300 . 1 . . . . . 107 HIS CD2 . 11573 1 1288 . 1 1 107 107 HIS N N 15 115.885 0.300 . 1 . . . . . 107 HIS N . 11573 1 1289 . 1 1 108 108 PRO HA H 1 3.742 0.030 . 1 . . . . . 108 PRO HA . 11573 1 1290 . 1 1 108 108 PRO HB2 H 1 1.692 0.030 . 1 . . . . . 108 PRO HB2 . 11573 1 1291 . 1 1 108 108 PRO HB3 H 1 1.767 0.030 . 1 . . . . . 108 PRO HB3 . 11573 1 1292 . 1 1 108 108 PRO HD2 H 1 3.949 0.030 . 1 . . . . . 108 PRO HD2 . 11573 1 1293 . 1 1 108 108 PRO HD3 H 1 3.949 0.030 . 1 . . . . . 108 PRO HD3 . 11573 1 1294 . 1 1 108 108 PRO HG2 H 1 2.372 0.030 . 1 . . . . . 108 PRO HG2 . 11573 1 1295 . 1 1 108 108 PRO HG3 H 1 2.020 0.030 . 1 . . . . . 108 PRO HG3 . 11573 1 1296 . 1 1 108 108 PRO C C 13 176.458 0.300 . 1 . . . . . 108 PRO C . 11573 1 1297 . 1 1 108 108 PRO CA C 13 62.838 0.300 . 1 . . . . . 108 PRO CA . 11573 1 1298 . 1 1 108 108 PRO CB C 13 32.982 0.300 . 1 . . . . . 108 PRO CB . 11573 1 1299 . 1 1 108 108 PRO CD C 13 51.116 0.300 . 1 . . . . . 108 PRO CD . 11573 1 1300 . 1 1 108 108 PRO CG C 13 27.718 0.300 . 1 . . . . . 108 PRO CG . 11573 1 1301 . 1 1 109 109 VAL H H 1 8.508 0.030 . 1 . . . . . 109 VAL H . 11573 1 1302 . 1 1 109 109 VAL HA H 1 4.155 0.030 . 1 . . . . . 109 VAL HA . 11573 1 1303 . 1 1 109 109 VAL HB H 1 1.649 0.030 . 1 . . . . . 109 VAL HB . 11573 1 1304 . 1 1 109 109 VAL HG11 H 1 0.724 0.030 . 1 . . . . . 109 VAL MG1 . 11573 1 1305 . 1 1 109 109 VAL HG12 H 1 0.724 0.030 . 1 . . . . . 109 VAL MG1 . 11573 1 1306 . 1 1 109 109 VAL HG13 H 1 0.724 0.030 . 1 . . . . . 109 VAL MG1 . 11573 1 1307 . 1 1 109 109 VAL HG21 H 1 0.942 0.030 . 1 . . . . . 109 VAL MG2 . 11573 1 1308 . 1 1 109 109 VAL HG22 H 1 0.942 0.030 . 1 . . . . . 109 VAL MG2 . 11573 1 1309 . 1 1 109 109 VAL HG23 H 1 0.942 0.030 . 1 . . . . . 109 VAL MG2 . 11573 1 1310 . 1 1 109 109 VAL C C 13 172.051 0.300 . 1 . . . . . 109 VAL C . 11573 1 1311 . 1 1 109 109 VAL CA C 13 62.138 0.300 . 1 . . . . . 109 VAL CA . 11573 1 1312 . 1 1 109 109 VAL CB C 13 34.828 0.300 . 1 . . . . . 109 VAL CB . 11573 1 1313 . 1 1 109 109 VAL CG1 C 13 22.418 0.300 . 1 . . . . . 109 VAL CG1 . 11573 1 1314 . 1 1 109 109 VAL CG2 C 13 23.033 0.300 . 1 . . . . . 109 VAL CG2 . 11573 1 1315 . 1 1 109 109 VAL N N 15 125.956 0.300 . 1 . . . . . 109 VAL N . 11573 1 1316 . 1 1 110 110 SER H H 1 7.204 0.030 . 1 . . . . . 110 SER H . 11573 1 1317 . 1 1 110 110 SER HA H 1 3.947 0.030 . 1 . . . . . 110 SER HA . 11573 1 1318 . 1 1 110 110 SER HB2 H 1 3.750 0.030 . 1 . . . . . 110 SER HB2 . 11573 1 1319 . 1 1 110 110 SER HB3 H 1 3.750 0.030 . 1 . . . . . 110 SER HB3 . 11573 1 1320 . 1 1 110 110 SER C C 13 177.744 0.300 . 1 . . . . . 110 SER C . 11573 1 1321 . 1 1 110 110 SER CA C 13 59.426 0.300 . 1 . . . . . 110 SER CA . 11573 1 1322 . 1 1 110 110 SER CB C 13 64.968 0.300 . 1 . . . . . 110 SER CB . 11573 1 1323 . 1 1 110 110 SER N N 15 119.338 0.300 . 1 . . . . . 110 SER N . 11573 1 stop_ save_