data_28032 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28032 _Entry.Title ; Chemical shifts of mouse BTNL2 IgV1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-19 _Entry.Accession_date 2019-10-19 _Entry.Last_release_date 2019-10-21 _Entry.Original_release_date 2019-10-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 'Assignment for structure determination' _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 Aditya Basak . J. . . 28032 2 Soumya De . . . . 28032 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28032 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 28032 '15N chemical shifts' 113 28032 '1H chemical shifts' 663 28032 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 . . 2021-07-16 . original BMRB . 28032 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28032 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32976909 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Insights into N-terminal IgV Domain of BTNL2, a T Cell Inhibitory Molecule, Suggests a Non-canonical Binding Interface for Its Putative Receptors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 432 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 5938 _Citation.Page_last 5950 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aditya Basak A. J. . . 28032 1 2 Snigdha Maiti S. . . . 28032 1 3 Anita Hansda A. . . . 28032 1 4 Dhrubajyoti Mahata D. . . . 28032 1 5 Kheerthana Duraivelan K. . . . 28032 1 6 Shankar Kundapura S. V. . . 28032 1 7 Woonghee Lee W. . . . 28032 1 8 Gayatri Mukherjee G. . . . 28032 1 9 Soumya De S. . . . 28032 1 10 Dibyendu Samanta D. . . . 28032 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'T cell coinhibition' 28032 1 'T cell signalling' 28032 1 'ulcerative colitis' 28032 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28032 _Assembly.ID 1 _Assembly.Name 'BTNL2 Igv1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BTNL2 Igv1 monomer' 1 $BTNL2 A . yes native no no . . . 28032 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . . . 28032 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BTNL2 _Entity.Sf_category entity _Entity.Sf_framecode BTNL2 _Entity.Entry_ID 28032 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BTNL2 _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 ; MDFRVVGPNLPILAKVGEDA LLTCQLLPKRTTAHMEVRWY RSDPDMPVIMYRDGAEVTGL PMEGYGGRAEWMEDSTEEGS VALKIRQVQPSDDGQYWCRF QEGDYWRETSVLLQVAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'T cell coinhibition' 28032 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28032 1 2 . ASP . 28032 1 3 . PHE . 28032 1 4 . ARG . 28032 1 5 . VAL . 28032 1 6 . VAL . 28032 1 7 . GLY . 28032 1 8 . PRO . 28032 1 9 . ASN . 28032 1 10 . LEU . 28032 1 11 . PRO . 28032 1 12 . ILE . 28032 1 13 . LEU . 28032 1 14 . ALA . 28032 1 15 . LYS . 28032 1 16 . VAL . 28032 1 17 . GLY . 28032 1 18 . GLU . 28032 1 19 . ASP . 28032 1 20 . ALA . 28032 1 21 . LEU . 28032 1 22 . LEU . 28032 1 23 . THR . 28032 1 24 . CYS . 28032 1 25 . GLN . 28032 1 26 . LEU . 28032 1 27 . LEU . 28032 1 28 . PRO . 28032 1 29 . LYS . 28032 1 30 . ARG . 28032 1 31 . THR . 28032 1 32 . THR . 28032 1 33 . ALA . 28032 1 34 . HIS . 28032 1 35 . MET . 28032 1 36 . GLU . 28032 1 37 . VAL . 28032 1 38 . ARG . 28032 1 39 . TRP . 28032 1 40 . TYR . 28032 1 41 . ARG . 28032 1 42 . SER . 28032 1 43 . ASP . 28032 1 44 . PRO . 28032 1 45 . ASP . 28032 1 46 . MET . 28032 1 47 . PRO . 28032 1 48 . VAL . 28032 1 49 . ILE . 28032 1 50 . MET . 28032 1 51 . TYR . 28032 1 52 . ARG . 28032 1 53 . ASP . 28032 1 54 . GLY . 28032 1 55 . ALA . 28032 1 56 . GLU . 28032 1 57 . VAL . 28032 1 58 . THR . 28032 1 59 . GLY . 28032 1 60 . LEU . 28032 1 61 . PRO . 28032 1 62 . MET . 28032 1 63 . GLU . 28032 1 64 . GLY . 28032 1 65 . TYR . 28032 1 66 . GLY . 28032 1 67 . GLY . 28032 1 68 . ARG . 28032 1 69 . ALA . 28032 1 70 . GLU . 28032 1 71 . TRP . 28032 1 72 . MET . 28032 1 73 . GLU . 28032 1 74 . ASP . 28032 1 75 . SER . 28032 1 76 . THR . 28032 1 77 . GLU . 28032 1 78 . GLU . 28032 1 79 . GLY . 28032 1 80 . SER . 28032 1 81 . VAL . 28032 1 82 . ALA . 28032 1 83 . LEU . 28032 1 84 . LYS . 28032 1 85 . ILE . 28032 1 86 . ARG . 28032 1 87 . GLN . 28032 1 88 . VAL . 28032 1 89 . GLN . 28032 1 90 . PRO . 28032 1 91 . SER . 28032 1 92 . ASP . 28032 1 93 . ASP . 28032 1 94 . GLY . 28032 1 95 . GLN . 28032 1 96 . TYR . 28032 1 97 . TRP . 28032 1 98 . CYS . 28032 1 99 . ARG . 28032 1 100 . PHE . 28032 1 101 . GLN . 28032 1 102 . GLU . 28032 1 103 . GLY . 28032 1 104 . ASP . 28032 1 105 . TYR . 28032 1 106 . TRP . 28032 1 107 . ARG . 28032 1 108 . GLU . 28032 1 109 . THR . 28032 1 110 . SER . 28032 1 111 . VAL . 28032 1 112 . LEU . 28032 1 113 . LEU . 28032 1 114 . GLN . 28032 1 115 . VAL . 28032 1 116 . ALA . 28032 1 117 . ALA . 28032 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 28032 1 . ASP 2 2 28032 1 . PHE 3 3 28032 1 . ARG 4 4 28032 1 . VAL 5 5 28032 1 . VAL 6 6 28032 1 . GLY 7 7 28032 1 . PRO 8 8 28032 1 . ASN 9 9 28032 1 . LEU 10 10 28032 1 . PRO 11 11 28032 1 . ILE 12 12 28032 1 . LEU 13 13 28032 1 . ALA 14 14 28032 1 . LYS 15 15 28032 1 . VAL 16 16 28032 1 . GLY 17 17 28032 1 . GLU 18 18 28032 1 . ASP 19 19 28032 1 . ALA 20 20 28032 1 . LEU 21 21 28032 1 . LEU 22 22 28032 1 . THR 23 23 28032 1 . CYS 24 24 28032 1 . GLN 25 25 28032 1 . LEU 26 26 28032 1 . LEU 27 27 28032 1 . PRO 28 28 28032 1 . LYS 29 29 28032 1 . ARG 30 30 28032 1 . THR 31 31 28032 1 . THR 32 32 28032 1 . ALA 33 33 28032 1 . HIS 34 34 28032 1 . MET 35 35 28032 1 . GLU 36 36 28032 1 . VAL 37 37 28032 1 . ARG 38 38 28032 1 . TRP 39 39 28032 1 . TYR 40 40 28032 1 . ARG 41 41 28032 1 . SER 42 42 28032 1 . ASP 43 43 28032 1 . PRO 44 44 28032 1 . ASP 45 45 28032 1 . MET 46 46 28032 1 . PRO 47 47 28032 1 . VAL 48 48 28032 1 . ILE 49 49 28032 1 . MET 50 50 28032 1 . TYR 51 51 28032 1 . ARG 52 52 28032 1 . ASP 53 53 28032 1 . GLY 54 54 28032 1 . ALA 55 55 28032 1 . GLU 56 56 28032 1 . VAL 57 57 28032 1 . THR 58 58 28032 1 . GLY 59 59 28032 1 . LEU 60 60 28032 1 . PRO 61 61 28032 1 . MET 62 62 28032 1 . GLU 63 63 28032 1 . GLY 64 64 28032 1 . TYR 65 65 28032 1 . GLY 66 66 28032 1 . GLY 67 67 28032 1 . ARG 68 68 28032 1 . ALA 69 69 28032 1 . GLU 70 70 28032 1 . TRP 71 71 28032 1 . MET 72 72 28032 1 . GLU 73 73 28032 1 . ASP 74 74 28032 1 . SER 75 75 28032 1 . THR 76 76 28032 1 . GLU 77 77 28032 1 . GLU 78 78 28032 1 . GLY 79 79 28032 1 . SER 80 80 28032 1 . VAL 81 81 28032 1 . ALA 82 82 28032 1 . LEU 83 83 28032 1 . LYS 84 84 28032 1 . ILE 85 85 28032 1 . ARG 86 86 28032 1 . GLN 87 87 28032 1 . VAL 88 88 28032 1 . GLN 89 89 28032 1 . PRO 90 90 28032 1 . SER 91 91 28032 1 . ASP 92 92 28032 1 . ASP 93 93 28032 1 . GLY 94 94 28032 1 . GLN 95 95 28032 1 . TYR 96 96 28032 1 . TRP 97 97 28032 1 . CYS 98 98 28032 1 . ARG 99 99 28032 1 . PHE 100 100 28032 1 . GLN 101 101 28032 1 . GLU 102 102 28032 1 . GLY 103 103 28032 1 . ASP 104 104 28032 1 . TYR 105 105 28032 1 . TRP 106 106 28032 1 . ARG 107 107 28032 1 . GLU 108 108 28032 1 . THR 109 109 28032 1 . SER 110 110 28032 1 . VAL 111 111 28032 1 . LEU 112 112 28032 1 . LEU 113 113 28032 1 . GLN 114 114 28032 1 . VAL 115 115 28032 1 . ALA 116 116 28032 1 . ALA 117 117 28032 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 28032 _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 $BTNL2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 28032 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 28032 _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 $BTNL2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . 'pET 3a' . . . 28032 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28032 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BTNL2 '[U-100% 13C; U-100% 15N]' . . 1 $BTNL2 . . 0.5 . . mM . . . . 28032 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28032 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28032 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 28032 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 90 . mM 28032 1 pH 6.5 . pH 28032 1 pressure 1 . atm 28032 1 temperature 298 . K 28032 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28032 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _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' . . 28032 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28032 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28032 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28032 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28032 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28032 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28032 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 cryoprobe . . 28032 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 28032 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28032 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 28032 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28032 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 28032 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 28032 1 2 '2D 1H-13C HSQC aliphatic' . . . 28032 1 3 '3D CBCA(CO)NH' . . . 28032 1 4 '3D HNCACB' . . . 28032 1 5 '3D HNCO' . . . 28032 1 6 '3D HCCH-TOCSY' . . . 28032 1 7 '3D HBHA(CO)NH' . . . 28032 1 8 '2D 1H-1H NOESY' . . . 28032 1 9 '3D 1H-15N NOESY' . . . 28032 1 10 '3D 1H-15N TOCSY' . . . 28032 1 11 '3D 1H-13C NOESY' . . . 28032 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 28032 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP HA H 1 4.354 0.02 . . . . . . . 2 ASP HA . 28032 1 2 . 1 . 1 2 2 ASP HB2 H 1 2.542 0.00 . . . . . . . 2 ASP HB . 28032 1 3 . 1 . 1 2 2 ASP HB3 H 1 2.542 0.00 . . . . . . . 2 ASP HB . 28032 1 4 . 1 . 1 2 2 ASP C C 13 176.014 0.01 . . . . . . . 2 ASP C . 28032 1 5 . 1 . 1 2 2 ASP CA C 13 54.028 0.10 . . . . . . . 2 ASP CA . 28032 1 6 . 1 . 1 2 2 ASP CB C 13 41.323 0.05 . . . . . . . 2 ASP CB . 28032 1 7 . 1 . 1 3 3 PHE H H 1 7.157 0.00 . . . . . . . 3 PHE H . 28032 1 8 . 1 . 1 3 3 PHE HA H 1 5.146 0.02 . . . . . . . 3 PHE HA . 28032 1 9 . 1 . 1 3 3 PHE HB2 H 1 3.088 0.02 . . . . . . . 3 PHE HB . 28032 1 10 . 1 . 1 3 3 PHE HB3 H 1 3.088 0.02 . . . . . . . 3 PHE HB . 28032 1 11 . 1 . 1 3 3 PHE C C 13 174.567 0.01 . . . . . . . 3 PHE C . 28032 1 12 . 1 . 1 3 3 PHE CA C 13 56.202 0.03 . . . . . . . 3 PHE CA . 28032 1 13 . 1 . 1 3 3 PHE CB C 13 40.763 0.03 . . . . . . . 3 PHE CB . 28032 1 14 . 1 . 1 3 3 PHE N N 15 115.238 0.04 . . . . . . . 3 PHE N . 28032 1 15 . 1 . 1 4 4 ARG H H 1 9.297 0.01 . . . . . . . 4 ARG H . 28032 1 16 . 1 . 1 4 4 ARG HA H 1 4.697 0.01 . . . . . . . 4 ARG HA . 28032 1 17 . 1 . 1 4 4 ARG HB2 H 1 1.836 0.02 . . . . . . . 4 ARG HB . 28032 1 18 . 1 . 1 4 4 ARG HB3 H 1 1.836 0.02 . . . . . . . 4 ARG HB . 28032 1 19 . 1 . 1 4 4 ARG HG2 H 1 1.546 0.01 . . . . . . . 4 ARG HG . 28032 1 20 . 1 . 1 4 4 ARG HG3 H 1 1.546 0.01 . . . . . . . 4 ARG HG . 28032 1 21 . 1 . 1 4 4 ARG HD2 H 1 3.191 0.01 . . . . . . . 4 ARG HD . 28032 1 22 . 1 . 1 4 4 ARG HD3 H 1 3.191 0.01 . . . . . . . 4 ARG HD . 28032 1 23 . 1 . 1 4 4 ARG C C 13 174.024 0.01 . . . . . . . 4 ARG C . 28032 1 24 . 1 . 1 4 4 ARG CA C 13 54.238 0.04 . . . . . . . 4 ARG CA . 28032 1 25 . 1 . 1 4 4 ARG CB C 13 33.250 0.06 . . . . . . . 4 ARG CB . 28032 1 26 . 1 . 1 4 4 ARG CG C 13 26.865 0.00 . . . . . . . 4 ARG CG . 28032 1 27 . 1 . 1 4 4 ARG CD C 13 43.461 0.00 . . . . . . . 4 ARG CD . 28032 1 28 . 1 . 1 4 4 ARG N N 15 119.052 0.04 . . . . . . . 4 ARG N . 28032 1 29 . 1 . 1 5 5 VAL H H 1 8.208 0.01 . . . . . . . 5 VAL H . 28032 1 30 . 1 . 1 5 5 VAL HA H 1 4.710 0.00 . . . . . . . 5 VAL HA . 28032 1 31 . 1 . 1 5 5 VAL HB H 1 1.583 0.02 . . . . . . . 5 VAL HB . 28032 1 32 . 1 . 1 5 5 VAL HG11 H 1 0.946 0.00 . . . . . . . 5 VAL HG1 . 28032 1 33 . 1 . 1 5 5 VAL HG12 H 1 0.946 0.00 . . . . . . . 5 VAL HG1 . 28032 1 34 . 1 . 1 5 5 VAL HG13 H 1 0.946 0.00 . . . . . . . 5 VAL HG1 . 28032 1 35 . 1 . 1 5 5 VAL HG21 H 1 0.762 0.01 . . . . . . . 5 VAL HG2 . 28032 1 36 . 1 . 1 5 5 VAL HG22 H 1 0.762 0.01 . . . . . . . 5 VAL HG2 . 28032 1 37 . 1 . 1 5 5 VAL HG23 H 1 0.762 0.01 . . . . . . . 5 VAL HG2 . 28032 1 38 . 1 . 1 5 5 VAL C C 13 175.698 0.01 . . . . . . . 5 VAL C . 28032 1 39 . 1 . 1 5 5 VAL CA C 13 60.931 0.04 . . . . . . . 5 VAL CA . 28032 1 40 . 1 . 1 5 5 VAL CB C 13 34.075 0.14 . . . . . . . 5 VAL CB . 28032 1 41 . 1 . 1 5 5 VAL CG1 C 13 23.659 0.00 . . . . . . . 5 VAL CG1 . 28032 1 42 . 1 . 1 5 5 VAL CG2 C 13 21.807 0.12 . . . . . . . 5 VAL CG2 . 28032 1 43 . 1 . 1 5 5 VAL N N 15 120.109 0.07 . . . . . . . 5 VAL N . 28032 1 44 . 1 . 1 6 6 VAL H H 1 9.215 0.01 . . . . . . . 6 VAL H . 28032 1 45 . 1 . 1 6 6 VAL HA H 1 4.621 0.01 . . . . . . . 6 VAL HA . 28032 1 46 . 1 . 1 6 6 VAL HB H 1 2.070 0.01 . . . . . . . 6 VAL HB . 28032 1 47 . 1 . 1 6 6 VAL HG11 H 1 0.877 0.02 . . . . . . . 6 VAL HG . 28032 1 48 . 1 . 1 6 6 VAL HG12 H 1 0.877 0.02 . . . . . . . 6 VAL HG . 28032 1 49 . 1 . 1 6 6 VAL HG13 H 1 0.877 0.02 . . . . . . . 6 VAL HG . 28032 1 50 . 1 . 1 6 6 VAL HG21 H 1 0.877 0.02 . . . . . . . 6 VAL HG . 28032 1 51 . 1 . 1 6 6 VAL HG22 H 1 0.877 0.02 . . . . . . . 6 VAL HG . 28032 1 52 . 1 . 1 6 6 VAL HG23 H 1 0.877 0.02 . . . . . . . 6 VAL HG . 28032 1 53 . 1 . 1 6 6 VAL C C 13 175.233 0.00 . . . . . . . 6 VAL C . 28032 1 54 . 1 . 1 6 6 VAL CA C 13 60.592 0.05 . . . . . . . 6 VAL CA . 28032 1 55 . 1 . 1 6 6 VAL CB C 13 35.073 0.13 . . . . . . . 6 VAL CB . 28032 1 56 . 1 . 1 6 6 VAL CG1 C 13 21.415 0.00 . . . . . . . 6 VAL CG1 . 28032 1 57 . 1 . 1 6 6 VAL CG2 C 13 20.064 0.00 . . . . . . . 6 VAL CG2 . 28032 1 58 . 1 . 1 6 6 VAL N N 15 123.696 0.04 . . . . . . . 6 VAL N . 28032 1 59 . 1 . 1 7 7 GLY H H 1 8.338 0.01 . . . . . . . 7 GLY H . 28032 1 60 . 1 . 1 7 7 GLY HA2 H 1 4.787 0.00 . . . . . . . 7 GLY HA2 . 28032 1 61 . 1 . 1 7 7 GLY HA3 H 1 3.739 0.01 . . . . . . . 7 GLY HA3 . 28032 1 62 . 1 . 1 7 7 GLY C C 13 171.9 0.00 . . . . . . . 7 GLY C . 28032 1 63 . 1 . 1 7 7 GLY CA C 13 43.744 0.00 . . . . . . . 7 GLY CA . 28032 1 64 . 1 . 1 7 7 GLY N N 15 114.107 0.08 . . . . . . . 7 GLY N . 28032 1 65 . 1 . 1 9 9 ASN HA H 1 4.621 0.01 . . . . . . . 9 ASN HA . 28032 1 66 . 1 . 1 9 9 ASN HB2 H 1 2.893 0.02 . . . . . . . 9 ASN HB . 28032 1 67 . 1 . 1 9 9 ASN HB3 H 1 2.893 0.02 . . . . . . . 9 ASN HB . 28032 1 68 . 1 . 1 9 9 ASN HD21 H 1 7.569 0.00 . . . . . . . 9 ASN HD21 . 28032 1 69 . 1 . 1 9 9 ASN HD22 H 1 6.873 0.00 . . . . . . . 9 ASN HD22 . 28032 1 70 . 1 . 1 9 9 ASN C C 13 175.329 0.00 . . . . . . . 9 ASN C . 28032 1 71 . 1 . 1 9 9 ASN CA C 13 54.494 0.07 . . . . . . . 9 ASN CA . 28032 1 72 . 1 . 1 9 9 ASN CB C 13 38.672 0.03 . . . . . . . 9 ASN CB . 28032 1 73 . 1 . 1 9 9 ASN ND2 N 15 112.451 0.00 . . . . . . . 9 ASN ND2 . 28032 1 74 . 1 . 1 10 10 LEU H H 1 7.489 0.01 . . . . . . . 10 LEU H . 28032 1 75 . 1 . 1 10 10 LEU HA H 1 4.801 0.01 . . . . . . . 10 LEU HA . 28032 1 76 . 1 . 1 10 10 LEU HB2 H 1 1.586 0.01 . . . . . . . 10 LEU HB . 28032 1 77 . 1 . 1 10 10 LEU HB3 H 1 1.586 0.01 . . . . . . . 10 LEU HB . 28032 1 78 . 1 . 1 10 10 LEU C C 13 175.515 0.00 . . . . . . . 10 LEU C . 28032 1 79 . 1 . 1 10 10 LEU CA C 13 52.295 0.00 . . . . . . . 10 LEU CA . 28032 1 80 . 1 . 1 10 10 LEU CB C 13 43.035 0.15 . . . . . . . 10 LEU CB . 28032 1 81 . 1 . 1 10 10 LEU N N 15 119.979 0.03 . . . . . . . 10 LEU N . 28032 1 82 . 1 . 1 11 11 PRO HA H 1 4.539 0.00 . . . . . . . 11 PRO HA . 28032 1 83 . 1 . 1 11 11 PRO HB2 H 1 1.998 0.00 . . . . . . . 11 PRO HB2 . 28032 1 84 . 1 . 1 11 11 PRO HB3 H 1 1.607 0.01 . . . . . . . 11 PRO HB3 . 28032 1 85 . 1 . 1 11 11 PRO C C 13 176.307 0.00 . . . . . . . 11 PRO C . 28032 1 86 . 1 . 1 11 11 PRO CA C 13 62.676 0.05 . . . . . . . 11 PRO CA . 28032 1 87 . 1 . 1 11 11 PRO CB C 13 32.139 0.04 . . . . . . . 11 PRO CB . 28032 1 88 . 1 . 1 11 11 PRO CG C 13 27.598 0.00 . . . . . . . 11 PRO CG . 28032 1 89 . 1 . 1 11 11 PRO CD C 13 50.513 0.05 . . . . . . . 11 PRO CD . 28032 1 90 . 1 . 1 12 12 ILE H H 1 8.919 0.00 . . . . . . . 12 ILE H . 28032 1 91 . 1 . 1 12 12 ILE HA H 1 4.027 0.02 . . . . . . . 12 ILE HA . 28032 1 92 . 1 . 1 12 12 ILE HB H 1 1.853 0.01 . . . . . . . 12 ILE HB . 28032 1 93 . 1 . 1 12 12 ILE HG12 H 1 1.522 0.01 . . . . . . . 12 ILE HG12 . 28032 1 94 . 1 . 1 12 12 ILE HG13 H 1 1.452 0.00 . . . . . . . 12 ILE HG13 . 28032 1 95 . 1 . 1 12 12 ILE HG21 H 1 0.764 0.01 . . . . . . . 12 ILE HG2 . 28032 1 96 . 1 . 1 12 12 ILE HG22 H 1 0.764 0.01 . . . . . . . 12 ILE HG2 . 28032 1 97 . 1 . 1 12 12 ILE HG23 H 1 0.764 0.01 . . . . . . . 12 ILE HG2 . 28032 1 98 . 1 . 1 12 12 ILE HD11 H 1 0.944 0.01 . . . . . . . 12 ILE HD1 . 28032 1 99 . 1 . 1 12 12 ILE HD12 H 1 0.944 0.01 . . . . . . . 12 ILE HD1 . 28032 1 100 . 1 . 1 12 12 ILE HD13 H 1 0.944 0.01 . . . . . . . 12 ILE HD1 . 28032 1 101 . 1 . 1 12 12 ILE C C 13 174.832 0.00 . . . . . . . 12 ILE C . 28032 1 102 . 1 . 1 12 12 ILE CA C 13 60.416 0.03 . . . . . . . 12 ILE CA . 28032 1 103 . 1 . 1 12 12 ILE CB C 13 37.735 0.13 . . . . . . . 12 ILE CB . 28032 1 104 . 1 . 1 12 12 ILE CG1 C 13 28.121 0.00 . . . . . . . 12 ILE CG1 . 28032 1 105 . 1 . 1 12 12 ILE CG2 C 13 18.012 0.05 . . . . . . . 12 ILE CG2 . 28032 1 106 . 1 . 1 12 12 ILE CD1 C 13 13.113 0.12 . . . . . . . 12 ILE CD1 . 28032 1 107 . 1 . 1 12 12 ILE N N 15 125.348 0.06 . . . . . . . 12 ILE N . 28032 1 108 . 1 . 1 13 13 LEU H H 1 8.258 0.02 . . . . . . . 13 LEU H . 28032 1 109 . 1 . 1 13 13 LEU HA H 1 5.111 0.02 . . . . . . . 13 LEU HA . 28032 1 110 . 1 . 1 13 13 LEU HB2 H 1 1.554 0.03 . . . . . . . 13 LEU HB . 28032 1 111 . 1 . 1 13 13 LEU HB3 H 1 1.554 0.03 . . . . . . . 13 LEU HB . 28032 1 112 . 1 . 1 13 13 LEU HG H 1 1.362 0.00 . . . . . . . 13 LEU HG . 28032 1 113 . 1 . 1 13 13 LEU HD11 H 1 0.806 0.00 . . . . . . . 13 LEU HD1 . 28032 1 114 . 1 . 1 13 13 LEU HD12 H 1 0.806 0.00 . . . . . . . 13 LEU HD1 . 28032 1 115 . 1 . 1 13 13 LEU HD13 H 1 0.806 0.00 . . . . . . . 13 LEU HD1 . 28032 1 116 . 1 . 1 13 13 LEU HD21 H 1 0.759 0.00 . . . . . . . 13 LEU HD2 . 28032 1 117 . 1 . 1 13 13 LEU HD22 H 1 0.759 0.00 . . . . . . . 13 LEU HD2 . 28032 1 118 . 1 . 1 13 13 LEU HD23 H 1 0.759 0.00 . . . . . . . 13 LEU HD2 . 28032 1 119 . 1 . 1 13 13 LEU C C 13 177.409 0.01 . . . . . . . 13 LEU C . 28032 1 120 . 1 . 1 13 13 LEU CA C 13 54.031 0.09 . . . . . . . 13 LEU CA . 28032 1 121 . 1 . 1 13 13 LEU CB C 13 42.816 0.13 . . . . . . . 13 LEU CB . 28032 1 122 . 1 . 1 13 13 LEU CG C 13 27.458 0.00 . . . . . . . 13 LEU CG . 28032 1 123 . 1 . 1 13 13 LEU CD1 C 13 24.623 0.00 . . . . . . . 13 LEU CD1 . 28032 1 124 . 1 . 1 13 13 LEU CD2 C 13 24.606 0.00 . . . . . . . 13 LEU CD2 . 28032 1 125 . 1 . 1 13 13 LEU N N 15 129.181 0.06 . . . . . . . 13 LEU N . 28032 1 126 . 1 . 1 14 14 ALA H H 1 8.650 0.01 . . . . . . . 14 ALA H . 28032 1 127 . 1 . 1 14 14 ALA HA H 1 4.703 0.00 . . . . . . . 14 ALA HA . 28032 1 128 . 1 . 1 14 14 ALA HB1 H 1 1.163 0.01 . . . . . . . 14 ALA HB . 28032 1 129 . 1 . 1 14 14 ALA HB2 H 1 1.163 0.01 . . . . . . . 14 ALA HB . 28032 1 130 . 1 . 1 14 14 ALA HB3 H 1 1.163 0.01 . . . . . . . 14 ALA HB . 28032 1 131 . 1 . 1 14 14 ALA C C 13 175.671 0.01 . . . . . . . 14 ALA C . 28032 1 132 . 1 . 1 14 14 ALA CA C 13 50.638 0.00 . . . . . . . 14 ALA CA . 28032 1 133 . 1 . 1 14 14 ALA CB C 13 23.458 0.05 . . . . . . . 14 ALA CB . 28032 1 134 . 1 . 1 14 14 ALA N N 15 127.076 0.05 . . . . . . . 14 ALA N . 28032 1 135 . 1 . 1 15 15 LYS H H 1 8.208 0.01 . . . . . . . 15 LYS H . 28032 1 136 . 1 . 1 15 15 LYS HA H 1 4.821 0.01 . . . . . . . 15 LYS HA . 28032 1 137 . 1 . 1 15 15 LYS HB2 H 1 1.715 0.00 . . . . . . . 15 LYS HB2 . 28032 1 138 . 1 . 1 15 15 LYS HB3 H 1 1.409 0.01 . . . . . . . 15 LYS HB3 . 28032 1 139 . 1 . 1 15 15 LYS C C 13 176.766 0.01 . . . . . . . 15 LYS C . 28032 1 140 . 1 . 1 15 15 LYS CA C 13 54.241 0.07 . . . . . . . 15 LYS CA . 28032 1 141 . 1 . 1 15 15 LYS CB C 13 33.852 0.06 . . . . . . . 15 LYS CB . 28032 1 142 . 1 . 1 15 15 LYS CG C 13 24.728 0.00 . . . . . . . 15 LYS CG . 28032 1 143 . 1 . 1 15 15 LYS CD C 13 28.837 0.00 . . . . . . . 15 LYS CD . 28032 1 144 . 1 . 1 15 15 LYS CE C 13 41.910 0.00 . . . . . . . 15 LYS CE . 28032 1 145 . 1 . 1 15 15 LYS N N 15 121.599 0.08 . . . . . . . 15 LYS N . 28032 1 146 . 1 . 1 16 16 VAL H H 1 8.018 0.01 . . . . . . . 16 VAL H . 28032 1 147 . 1 . 1 16 16 VAL HA H 1 3.457 0.02 . . . . . . . 16 VAL HA . 28032 1 148 . 1 . 1 16 16 VAL HB H 1 1.944 0.01 . . . . . . . 16 VAL HB . 28032 1 149 . 1 . 1 16 16 VAL HG11 H 1 1.035 0.00 . . . . . . . 16 VAL HG1 . 28032 1 150 . 1 . 1 16 16 VAL HG12 H 1 1.035 0.00 . . . . . . . 16 VAL HG1 . 28032 1 151 . 1 . 1 16 16 VAL HG13 H 1 1.035 0.00 . . . . . . . 16 VAL HG1 . 28032 1 152 . 1 . 1 16 16 VAL HG21 H 1 0.972 0.02 . . . . . . . 16 VAL HG2 . 28032 1 153 . 1 . 1 16 16 VAL HG22 H 1 0.972 0.02 . . . . . . . 16 VAL HG2 . 28032 1 154 . 1 . 1 16 16 VAL HG23 H 1 0.972 0.02 . . . . . . . 16 VAL HG2 . 28032 1 155 . 1 . 1 16 16 VAL C C 13 178.171 0.01 . . . . . . . 16 VAL C . 28032 1 156 . 1 . 1 16 16 VAL CA C 13 64.486 0.04 . . . . . . . 16 VAL CA . 28032 1 157 . 1 . 1 16 16 VAL CB C 13 31.693 0.02 . . . . . . . 16 VAL CB . 28032 1 158 . 1 . 1 16 16 VAL CG1 C 13 22.771 0.00 . . . . . . . 16 VAL CG1 . 28032 1 159 . 1 . 1 16 16 VAL CG2 C 13 21.098 0.05 . . . . . . . 16 VAL CG2 . 28032 1 160 . 1 . 1 16 16 VAL N N 15 119.782 0.04 . . . . . . . 16 VAL N . 28032 1 161 . 1 . 1 17 17 GLY H H 1 9.552 0.01 . . . . . . . 17 GLY H . 28032 1 162 . 1 . 1 17 17 GLY HA2 H 1 4.375 0.01 . . . . . . . 17 GLY HA2 . 28032 1 163 . 1 . 1 17 17 GLY HA3 H 1 3.327 0.03 . . . . . . . 17 GLY HA3 . 28032 1 164 . 1 . 1 17 17 GLY C C 13 175.432 0.02 . . . . . . . 17 GLY C . 28032 1 165 . 1 . 1 17 17 GLY CA C 13 45.103 0.06 . . . . . . . 17 GLY CA . 28032 1 166 . 1 . 1 17 17 GLY N N 15 115.364 0.04 . . . . . . . 17 GLY N . 28032 1 167 . 1 . 1 18 18 GLU H H 1 8.073 0.01 . . . . . . . 18 GLU H . 28032 1 168 . 1 . 1 18 18 GLU HA H 1 4.447 0.02 . . . . . . . 18 GLU HA . 28032 1 169 . 1 . 1 18 18 GLU HB2 H 1 2.230 0.03 . . . . . . . 18 GLU HB . 28032 1 170 . 1 . 1 18 18 GLU HB3 H 1 2.230 0.03 . . . . . . . 18 GLU HB . 28032 1 171 . 1 . 1 18 18 GLU C C 13 174.718 0.00 . . . . . . . 18 GLU C . 28032 1 172 . 1 . 1 18 18 GLU CA C 13 55.569 0.11 . . . . . . . 18 GLU CA . 28032 1 173 . 1 . 1 18 18 GLU CB C 13 30.382 0.11 . . . . . . . 18 GLU CB . 28032 1 174 . 1 . 1 18 18 GLU CG C 13 37.171 0.00 . . . . . . . 18 GLU CG . 28032 1 175 . 1 . 1 18 18 GLU N N 15 121.638 0.07 . . . . . . . 18 GLU N . 28032 1 176 . 1 . 1 19 19 ASP H H 1 8.203 0.01 . . . . . . . 19 ASP H . 28032 1 177 . 1 . 1 19 19 ASP HA H 1 5.477 0.02 . . . . . . . 19 ASP HA . 28032 1 178 . 1 . 1 19 19 ASP HB2 H 1 2.506 0.02 . . . . . . . 19 ASP HB2 . 28032 1 179 . 1 . 1 19 19 ASP HB3 H 1 2.272 0.01 . . . . . . . 19 ASP HB3 . 28032 1 180 . 1 . 1 19 19 ASP C C 13 176.677 0.00 . . . . . . . 19 ASP C . 28032 1 181 . 1 . 1 19 19 ASP CA C 13 53.059 0.06 . . . . . . . 19 ASP CA . 28032 1 182 . 1 . 1 19 19 ASP CB C 13 41.769 0.14 . . . . . . . 19 ASP CB . 28032 1 183 . 1 . 1 19 19 ASP N N 15 118.304 0.05 . . . . . . . 19 ASP N . 28032 1 184 . 1 . 1 20 20 ALA H H 1 8.849 0.01 . . . . . . . 20 ALA H . 28032 1 185 . 1 . 1 20 20 ALA HA H 1 4.620 0.01 . . . . . . . 20 ALA HA . 28032 1 186 . 1 . 1 20 20 ALA HB1 H 1 0.983 0.02 . . . . . . . 20 ALA HB . 28032 1 187 . 1 . 1 20 20 ALA HB2 H 1 0.983 0.02 . . . . . . . 20 ALA HB . 28032 1 188 . 1 . 1 20 20 ALA HB3 H 1 0.983 0.02 . . . . . . . 20 ALA HB . 28032 1 189 . 1 . 1 20 20 ALA C C 13 175.350 0.01 . . . . . . . 20 ALA C . 28032 1 190 . 1 . 1 20 20 ALA CA C 13 50.401 0.07 . . . . . . . 20 ALA CA . 28032 1 191 . 1 . 1 20 20 ALA CB C 13 23.317 0.07 . . . . . . . 20 ALA CB . 28032 1 192 . 1 . 1 20 20 ALA N N 15 123.917 0.03 . . . . . . . 20 ALA N . 28032 1 193 . 1 . 1 21 21 LEU H H 1 8.128 0.00 . . . . . . . 21 LEU H . 28032 1 194 . 1 . 1 21 21 LEU HA H 1 4.795 0.01 . . . . . . . 21 LEU HA . 28032 1 195 . 1 . 1 21 21 LEU HB2 H 1 1.504 0.01 . . . . . . . 21 LEU HB2 . 28032 1 196 . 1 . 1 21 21 LEU HB3 H 1 1.198 0.00 . . . . . . . 21 LEU HB3 . 28032 1 197 . 1 . 1 21 21 LEU HD11 H 1 0.643 0.02 . . . . . . . 21 LEU HD1 . 28032 1 198 . 1 . 1 21 21 LEU HD12 H 1 0.643 0.02 . . . . . . . 21 LEU HD1 . 28032 1 199 . 1 . 1 21 21 LEU HD13 H 1 0.643 0.02 . . . . . . . 21 LEU HD1 . 28032 1 200 . 1 . 1 21 21 LEU C C 13 175.527 0.01 . . . . . . . 21 LEU C . 28032 1 201 . 1 . 1 21 21 LEU CA C 13 53.560 0.06 . . . . . . . 21 LEU CA . 28032 1 202 . 1 . 1 21 21 LEU CB C 13 44.416 0.07 . . . . . . . 21 LEU CB . 28032 1 203 . 1 . 1 21 21 LEU CG C 13 26.918 0.00 . . . . . . . 21 LEU CG . 28032 1 204 . 1 . 1 21 21 LEU CD1 C 13 24.660 0.03 . . . . . . . 21 LEU CD1 . 28032 1 205 . 1 . 1 21 21 LEU CD2 C 13 23.692 0.00 . . . . . . . 21 LEU CD2 . 28032 1 206 . 1 . 1 21 21 LEU N N 15 121.935 0.03 . . . . . . . 21 LEU N . 28032 1 207 . 1 . 1 22 22 LEU H H 1 8.879 0.01 . . . . . . . 22 LEU H . 28032 1 208 . 1 . 1 22 22 LEU HA H 1 4.339 0.01 . . . . . . . 22 LEU HA . 28032 1 209 . 1 . 1 22 22 LEU HB2 H 1 1.150 0.00 . . . . . . . 22 LEU HB2 . 28032 1 210 . 1 . 1 22 22 LEU HB3 H 1 1.091 0.00 . . . . . . . 22 LEU HB3 . 28032 1 211 . 1 . 1 22 22 LEU HD11 H 1 0.004 0.01 . . . . . . . 22 LEU HD1 . 28032 1 212 . 1 . 1 22 22 LEU HD12 H 1 0.004 0.01 . . . . . . . 22 LEU HD1 . 28032 1 213 . 1 . 1 22 22 LEU HD13 H 1 0.004 0.01 . . . . . . . 22 LEU HD1 . 28032 1 214 . 1 . 1 22 22 LEU HD21 H 1 0.244 0.02 . . . . . . . 22 LEU HD2 . 28032 1 215 . 1 . 1 22 22 LEU HD22 H 1 0.244 0.02 . . . . . . . 22 LEU HD2 . 28032 1 216 . 1 . 1 22 22 LEU HD23 H 1 0.244 0.02 . . . . . . . 22 LEU HD2 . 28032 1 217 . 1 . 1 22 22 LEU C C 13 175.846 0.01 . . . . . . . 22 LEU C . 28032 1 218 . 1 . 1 22 22 LEU CA C 13 54.243 0.16 . . . . . . . 22 LEU CA . 28032 1 219 . 1 . 1 22 22 LEU CB C 13 42.812 0.09 . . . . . . . 22 LEU CB . 28032 1 220 . 1 . 1 22 22 LEU CG C 13 27.771 0.00 . . . . . . . 22 LEU CG . 28032 1 221 . 1 . 1 22 22 LEU CD1 C 13 24.909 0.07 . . . . . . . 22 LEU CD1 . 28032 1 222 . 1 . 1 22 22 LEU CD2 C 13 24.431 0.12 . . . . . . . 22 LEU CD2 . 28032 1 223 . 1 . 1 22 22 LEU N N 15 127.640 0.08 . . . . . . . 22 LEU N . 28032 1 224 . 1 . 1 23 23 THR H H 1 6.867 0.01 . . . . . . . 23 THR H . 28032 1 225 . 1 . 1 23 23 THR HA H 1 5.291 0.01 . . . . . . . 23 THR HA . 28032 1 226 . 1 . 1 23 23 THR HB H 1 4.051 0.01 . . . . . . . 23 THR HB . 28032 1 227 . 1 . 1 23 23 THR HG21 H 1 1.019 0.01 . . . . . . . 23 THR HG2 . 28032 1 228 . 1 . 1 23 23 THR HG22 H 1 1.019 0.01 . . . . . . . 23 THR HG2 . 28032 1 229 . 1 . 1 23 23 THR HG23 H 1 1.019 0.01 . . . . . . . 23 THR HG2 . 28032 1 230 . 1 . 1 23 23 THR C C 13 173.199 0.01 . . . . . . . 23 THR C . 28032 1 231 . 1 . 1 23 23 THR CA C 13 60.466 0.11 . . . . . . . 23 THR CA . 28032 1 232 . 1 . 1 23 23 THR CB C 13 71.535 0.20 . . . . . . . 23 THR CB . 28032 1 233 . 1 . 1 23 23 THR CG2 C 13 21.180 0.00 . . . . . . . 23 THR CG2 . 28032 1 234 . 1 . 1 23 23 THR N N 15 111.406 0.06 . . . . . . . 23 THR N . 28032 1 235 . 1 . 1 24 24 CYS H H 1 8.467 0.01 . . . . . . . 24 CYS H . 28032 1 236 . 1 . 1 24 24 CYS HA H 1 4.966 0.02 . . . . . . . 24 CYS HA . 28032 1 237 . 1 . 1 24 24 CYS HB2 H 1 3.036 0.01 . . . . . . . 24 CYS HB2 . 28032 1 238 . 1 . 1 24 24 CYS HB3 H 1 2.818 0.01 . . . . . . . 24 CYS HB3 . 28032 1 239 . 1 . 1 24 24 CYS C C 13 173.151 0.00 . . . . . . . 24 CYS C . 28032 1 240 . 1 . 1 24 24 CYS CA C 13 55.441 0.05 . . . . . . . 24 CYS CA . 28032 1 241 . 1 . 1 24 24 CYS CB C 13 49.613 0.03 . . . . . . . 24 CYS CB . 28032 1 242 . 1 . 1 24 24 CYS N N 15 116.972 0.05 . . . . . . . 24 CYS N . 28032 1 243 . 1 . 1 25 25 GLN H H 1 8.927 0.01 . . . . . . . 25 GLN H . 28032 1 244 . 1 . 1 25 25 GLN HA H 1 5.143 0.02 . . . . . . . 25 GLN HA . 28032 1 245 . 1 . 1 25 25 GLN HB2 H 1 1.945 0.02 . . . . . . . 25 GLN HB . 28032 1 246 . 1 . 1 25 25 GLN HB3 H 1 1.945 0.02 . . . . . . . 25 GLN HB . 28032 1 247 . 1 . 1 25 25 GLN HG2 H 1 2.214 0.03 . . . . . . . 25 GLN HG . 28032 1 248 . 1 . 1 25 25 GLN HG3 H 1 2.214 0.03 . . . . . . . 25 GLN HG . 28032 1 249 . 1 . 1 25 25 GLN C C 13 174.086 0.01 . . . . . . . 25 GLN C . 28032 1 250 . 1 . 1 25 25 GLN CA C 13 54.055 0.04 . . . . . . . 25 GLN CA . 28032 1 251 . 1 . 1 25 25 GLN CB C 13 32.740 0.08 . . . . . . . 25 GLN CB . 28032 1 252 . 1 . 1 25 25 GLN CG C 13 33.651 0.00 . . . . . . . 25 GLN CG . 28032 1 253 . 1 . 1 25 25 GLN N N 15 119.555 0.04 . . . . . . . 25 GLN N . 28032 1 254 . 1 . 1 26 26 LEU H H 1 8.168 0.01 . . . . . . . 26 LEU H . 28032 1 255 . 1 . 1 26 26 LEU HA H 1 4.643 0.02 . . . . . . . 26 LEU HA . 28032 1 256 . 1 . 1 26 26 LEU HB2 H 1 1.273 0.02 . . . . . . . 26 LEU HB2 . 28032 1 257 . 1 . 1 26 26 LEU HB3 H 1 1.129 0.01 . . . . . . . 26 LEU HB3 . 28032 1 258 . 1 . 1 26 26 LEU HG H 1 1.007 0.00 . . . . . . . 26 LEU HG . 28032 1 259 . 1 . 1 26 26 LEU HD11 H 1 0.084 0.01 . . . . . . . 26 LEU HD1 . 28032 1 260 . 1 . 1 26 26 LEU HD12 H 1 0.084 0.01 . . . . . . . 26 LEU HD1 . 28032 1 261 . 1 . 1 26 26 LEU HD13 H 1 0.084 0.01 . . . . . . . 26 LEU HD1 . 28032 1 262 . 1 . 1 26 26 LEU HD21 H 1 -0.116 0.01 . . . . . . . 26 LEU HD2 . 28032 1 263 . 1 . 1 26 26 LEU HD22 H 1 -0.116 0.01 . . . . . . . 26 LEU HD2 . 28032 1 264 . 1 . 1 26 26 LEU HD23 H 1 -0.116 0.01 . . . . . . . 26 LEU HD2 . 28032 1 265 . 1 . 1 26 26 LEU C C 13 176.746 0.00 . . . . . . . 26 LEU C . 28032 1 266 . 1 . 1 26 26 LEU CA C 13 53.972 0.00 . . . . . . . 26 LEU CA . 28032 1 267 . 1 . 1 26 26 LEU CB C 13 44.195 0.04 . . . . . . . 26 LEU CB . 28032 1 268 . 1 . 1 26 26 LEU CD1 C 13 25.638 0.10 . . . . . . . 26 LEU CD1 . 28032 1 269 . 1 . 1 26 26 LEU CD2 C 13 24.330 0.15 . . . . . . . 26 LEU CD2 . 28032 1 270 . 1 . 1 26 26 LEU N N 15 124.301 0.03 . . . . . . . 26 LEU N . 28032 1 271 . 1 . 1 27 27 LEU H H 1 8.484 0.01 . . . . . . . 27 LEU H . 28032 1 272 . 1 . 1 27 27 LEU HA H 1 4.529 0.00 . . . . . . . 27 LEU HA . 28032 1 273 . 1 . 1 27 27 LEU HB2 H 1 1.349 0.00 . . . . . . . 27 LEU HB . 28032 1 274 . 1 . 1 27 27 LEU HB3 H 1 1.349 0.00 . . . . . . . 27 LEU HB . 28032 1 275 . 1 . 1 27 27 LEU C C 13 176.461 0.00 . . . . . . . 27 LEU C . 28032 1 276 . 1 . 1 27 27 LEU CA C 13 51.896 0.01 . . . . . . . 27 LEU CA . 28032 1 277 . 1 . 1 27 27 LEU CB C 13 46.048 0.03 . . . . . . . 27 LEU CB . 28032 1 278 . 1 . 1 27 27 LEU CG C 13 26.819 0.00 . . . . . . . 27 LEU CG . 28032 1 279 . 1 . 1 27 27 LEU CD1 C 13 25.826 0.00 . . . . . . . 27 LEU CD1 . 28032 1 280 . 1 . 1 27 27 LEU CD2 C 13 23.906 0.00 . . . . . . . 27 LEU CD2 . 28032 1 281 . 1 . 1 27 27 LEU N N 15 121.430 0.04 . . . . . . . 27 LEU N . 28032 1 282 . 1 . 1 28 28 PRO HA H 1 4.585 0.01 . . . . . . . 28 PRO HA . 28032 1 283 . 1 . 1 28 28 PRO HB2 H 1 2.445 0.01 . . . . . . . 28 PRO HB2 . 28032 1 284 . 1 . 1 28 28 PRO HB3 H 1 2.049 0.01 . . . . . . . 28 PRO HB3 . 28032 1 285 . 1 . 1 28 28 PRO HG2 H 1 1.901 0.00 . . . . . . . 28 PRO HG . 28032 1 286 . 1 . 1 28 28 PRO HG3 H 1 1.901 0.00 . . . . . . . 28 PRO HG . 28032 1 287 . 1 . 1 28 28 PRO C C 13 176.027 0.01 . . . . . . . 28 PRO C . 28032 1 288 . 1 . 1 28 28 PRO CA C 13 62.639 0.04 . . . . . . . 28 PRO CA . 28032 1 289 . 1 . 1 28 28 PRO CB C 13 34.064 0.10 . . . . . . . 28 PRO CB . 28032 1 290 . 1 . 1 28 28 PRO CG C 13 25.405 0.05 . . . . . . . 28 PRO CG . 28032 1 291 . 1 . 1 28 28 PRO CD C 13 50.291 0.04 . . . . . . . 28 PRO CD . 28032 1 292 . 1 . 1 29 29 LYS H H 1 8.230 0.01 . . . . . . . 29 LYS H . 28032 1 293 . 1 . 1 29 29 LYS HA H 1 3.836 0.01 . . . . . . . 29 LYS HA . 28032 1 294 . 1 . 1 29 29 LYS HB2 H 1 1.719 0.01 . . . . . . . 29 LYS HB . 28032 1 295 . 1 . 1 29 29 LYS HB3 H 1 1.719 0.01 . . . . . . . 29 LYS HB . 28032 1 296 . 1 . 1 29 29 LYS HG2 H 1 1.478 0.02 . . . . . . . 29 LYS HG . 28032 1 297 . 1 . 1 29 29 LYS HG3 H 1 1.478 0.02 . . . . . . . 29 LYS HG . 28032 1 298 . 1 . 1 29 29 LYS HD2 H 1 1.688 0.00 . . . . . . . 29 LYS HD . 28032 1 299 . 1 . 1 29 29 LYS HD3 H 1 1.688 0.00 . . . . . . . 29 LYS HD . 28032 1 300 . 1 . 1 29 29 LYS HE2 H 1 2.924 0.00 . . . . . . . 29 LYS HE . 28032 1 301 . 1 . 1 29 29 LYS HE3 H 1 2.924 0.00 . . . . . . . 29 LYS HE . 28032 1 302 . 1 . 1 29 29 LYS C C 13 176.618 0.01 . . . . . . . 29 LYS C . 28032 1 303 . 1 . 1 29 29 LYS CA C 13 58.655 0.06 . . . . . . . 29 LYS CA . 28032 1 304 . 1 . 1 29 29 LYS CB C 13 32.714 0.13 . . . . . . . 29 LYS CB . 28032 1 305 . 1 . 1 29 29 LYS CG C 13 25.039 0.10 . . . . . . . 29 LYS CG . 28032 1 306 . 1 . 1 29 29 LYS CD C 13 29.642 0.14 . . . . . . . 29 LYS CD . 28032 1 307 . 1 . 1 29 29 LYS CE C 13 41.945 0.00 . . . . . . . 29 LYS CE . 28032 1 308 . 1 . 1 29 29 LYS N N 15 119.184 0.03 . . . . . . . 29 LYS N . 28032 1 309 . 1 . 1 30 30 ARG H H 1 6.795 0.02 . . . . . . . 30 ARG H . 28032 1 310 . 1 . 1 30 30 ARG HA H 1 4.470 0.02 . . . . . . . 30 ARG HA . 28032 1 311 . 1 . 1 30 30 ARG HB2 H 1 1.871 0.01 . . . . . . . 30 ARG HB2 . 28032 1 312 . 1 . 1 30 30 ARG HB3 H 1 1.704 0.02 . . . . . . . 30 ARG HB3 . 28032 1 313 . 1 . 1 30 30 ARG HG2 H 1 1.312 0.01 . . . . . . . 30 ARG HG . 28032 1 314 . 1 . 1 30 30 ARG HG3 H 1 1.312 0.01 . . . . . . . 30 ARG HG . 28032 1 315 . 1 . 1 30 30 ARG HD2 H 1 3.087 0.00 . . . . . . . 30 ARG HD . 28032 1 316 . 1 . 1 30 30 ARG HD3 H 1 3.087 0.00 . . . . . . . 30 ARG HD . 28032 1 317 . 1 . 1 30 30 ARG C C 13 174.089 0.00 . . . . . . . 30 ARG C . 28032 1 318 . 1 . 1 30 30 ARG CA C 13 54.585 0.06 . . . . . . . 30 ARG CA . 28032 1 319 . 1 . 1 30 30 ARG CB C 13 31.736 0.07 . . . . . . . 30 ARG CB . 28032 1 320 . 1 . 1 30 30 ARG CG C 13 24.972 0.00 . . . . . . . 30 ARG CG . 28032 1 321 . 1 . 1 30 30 ARG CD C 13 43.576 0.00 . . . . . . . 30 ARG CD . 28032 1 322 . 1 . 1 30 30 ARG N N 15 118.498 0.04 . . . . . . . 30 ARG N . 28032 1 323 . 1 . 1 31 31 THR H H 1 7.890 0.00 . . . . . . . 31 THR H . 28032 1 324 . 1 . 1 31 31 THR HA H 1 4.588 0.01 . . . . . . . 31 THR HA . 28032 1 325 . 1 . 1 31 31 THR HB H 1 4.413 0.01 . . . . . . . 31 THR HB . 28032 1 326 . 1 . 1 31 31 THR C C 13 175.685 0.03 . . . . . . . 31 THR C . 28032 1 327 . 1 . 1 31 31 THR CA C 13 61.114 0.03 . . . . . . . 31 THR CA . 28032 1 328 . 1 . 1 31 31 THR CB C 13 69.156 0.01 . . . . . . . 31 THR CB . 28032 1 329 . 1 . 1 31 31 THR CG2 C 13 20.688 0.00 . . . . . . . 31 THR CG2 . 28032 1 330 . 1 . 1 31 31 THR N N 15 111.064 0.05 . . . . . . . 31 THR N . 28032 1 331 . 1 . 1 32 32 THR H H 1 8.195 0.00 . . . . . . . 32 THR H . 28032 1 332 . 1 . 1 32 32 THR HA H 1 4.430 0.00 . . . . . . . 32 THR HA . 28032 1 333 . 1 . 1 32 32 THR HB H 1 4.159 0.00 . . . . . . . 32 THR HB . 28032 1 334 . 1 . 1 32 32 THR C C 13 176.967 0.02 . . . . . . . 32 THR C . 28032 1 335 . 1 . 1 32 32 THR CA C 13 61.511 0.22 . . . . . . . 32 THR CA . 28032 1 336 . 1 . 1 32 32 THR CB C 13 68.970 0.20 . . . . . . . 32 THR CB . 28032 1 337 . 1 . 1 32 32 THR CG2 C 13 21.731 0.00 . . . . . . . 32 THR CG2 . 28032 1 338 . 1 . 1 32 32 THR N N 15 113.529 0.10 . . . . . . . 32 THR N . 28032 1 339 . 1 . 1 33 33 ALA H H 1 8.030 0.00 . . . . . . . 33 ALA H . 28032 1 340 . 1 . 1 33 33 ALA HA H 1 4.028 0.02 . . . . . . . 33 ALA HA . 28032 1 341 . 1 . 1 33 33 ALA HB1 H 1 1.203 0.02 . . . . . . . 33 ALA HB . 28032 1 342 . 1 . 1 33 33 ALA HB2 H 1 1.203 0.02 . . . . . . . 33 ALA HB . 28032 1 343 . 1 . 1 33 33 ALA HB3 H 1 1.203 0.02 . . . . . . . 33 ALA HB . 28032 1 344 . 1 . 1 33 33 ALA C C 13 178.154 0.00 . . . . . . . 33 ALA C . 28032 1 345 . 1 . 1 33 33 ALA CA C 13 54.845 0.08 . . . . . . . 33 ALA CA . 28032 1 346 . 1 . 1 33 33 ALA CB C 13 18.916 0.04 . . . . . . . 33 ALA CB . 28032 1 347 . 1 . 1 33 33 ALA N N 15 124.789 0.06 . . . . . . . 33 ALA N . 28032 1 348 . 1 . 1 34 34 HIS H H 1 8.493 0.01 . . . . . . . 34 HIS H . 28032 1 349 . 1 . 1 34 34 HIS HA H 1 5.049 0.04 . . . . . . . 34 HIS HA . 28032 1 350 . 1 . 1 34 34 HIS HB2 H 1 3.445 0.02 . . . . . . . 34 HIS HB2 . 28032 1 351 . 1 . 1 34 34 HIS HB3 H 1 3.138 0.02 . . . . . . . 34 HIS HB3 . 28032 1 352 . 1 . 1 34 34 HIS C C 13 175.312 0.02 . . . . . . . 34 HIS C . 28032 1 353 . 1 . 1 34 34 HIS CA C 13 54.634 0.01 . . . . . . . 34 HIS CA . 28032 1 354 . 1 . 1 34 34 HIS CB C 13 28.543 0.13 . . . . . . . 34 HIS CB . 28032 1 355 . 1 . 1 34 34 HIS N N 15 113.039 0.05 . . . . . . . 34 HIS N . 28032 1 356 . 1 . 1 35 35 MET H H 1 7.650 0.01 . . . . . . . 35 MET H . 28032 1 357 . 1 . 1 35 35 MET HA H 1 5.001 0.01 . . . . . . . 35 MET HA . 28032 1 358 . 1 . 1 35 35 MET HB2 H 1 2.052 0.02 . . . . . . . 35 MET HB . 28032 1 359 . 1 . 1 35 35 MET HB3 H 1 2.052 0.02 . . . . . . . 35 MET HB . 28032 1 360 . 1 . 1 35 35 MET HG2 H 1 2.452 0.02 . . . . . . . 35 MET HG . 28032 1 361 . 1 . 1 35 35 MET HG3 H 1 2.452 0.02 . . . . . . . 35 MET HG . 28032 1 362 . 1 . 1 35 35 MET HE1 H 1 1.676 0.01 . . . . . . . 35 MET HE . 28032 1 363 . 1 . 1 35 35 MET HE2 H 1 1.676 0.01 . . . . . . . 35 MET HE . 28032 1 364 . 1 . 1 35 35 MET HE3 H 1 1.676 0.01 . . . . . . . 35 MET HE . 28032 1 365 . 1 . 1 35 35 MET C C 13 176.218 0.00 . . . . . . . 35 MET C . 28032 1 366 . 1 . 1 35 35 MET CA C 13 55.713 0.03 . . . . . . . 35 MET CA . 28032 1 367 . 1 . 1 35 35 MET CB C 13 35.710 0.05 . . . . . . . 35 MET CB . 28032 1 368 . 1 . 1 35 35 MET CG C 13 33.046 0.00 . . . . . . . 35 MET CG . 28032 1 369 . 1 . 1 35 35 MET CE C 13 18.122 0.01 . . . . . . . 35 MET CE . 28032 1 370 . 1 . 1 35 35 MET N N 15 117.905 0.03 . . . . . . . 35 MET N . 28032 1 371 . 1 . 1 36 36 GLU H H 1 8.936 0.00 . . . . . . . 36 GLU H . 28032 1 372 . 1 . 1 36 36 GLU HA H 1 5.272 0.01 . . . . . . . 36 GLU HA . 28032 1 373 . 1 . 1 36 36 GLU HB2 H 1 2.051 0.02 . . . . . . . 36 GLU HB . 28032 1 374 . 1 . 1 36 36 GLU HB3 H 1 2.051 0.02 . . . . . . . 36 GLU HB . 28032 1 375 . 1 . 1 36 36 GLU HG2 H 1 2.236 0.00 . . . . . . . 36 GLU HG . 28032 1 376 . 1 . 1 36 36 GLU HG3 H 1 2.236 0.00 . . . . . . . 36 GLU HG . 28032 1 377 . 1 . 1 36 36 GLU C C 13 176.151 0.00 . . . . . . . 36 GLU C . 28032 1 378 . 1 . 1 36 36 GLU CA C 13 55.147 0.08 . . . . . . . 36 GLU CA . 28032 1 379 . 1 . 1 36 36 GLU CB C 13 32.687 0.04 . . . . . . . 36 GLU CB . 28032 1 380 . 1 . 1 36 36 GLU CG C 13 38.116 0.00 . . . . . . . 36 GLU CG . 28032 1 381 . 1 . 1 36 36 GLU N N 15 121.941 0.03 . . . . . . . 36 GLU N . 28032 1 382 . 1 . 1 37 37 VAL H H 1 9.181 0.01 . . . . . . . 37 VAL H . 28032 1 383 . 1 . 1 37 37 VAL HA H 1 5.062 0.02 . . . . . . . 37 VAL HA . 28032 1 384 . 1 . 1 37 37 VAL HB H 1 1.965 0.02 . . . . . . . 37 VAL HB . 28032 1 385 . 1 . 1 37 37 VAL HG11 H 1 0.183 0.01 . . . . . . . 37 VAL HG1 . 28032 1 386 . 1 . 1 37 37 VAL HG12 H 1 0.183 0.01 . . . . . . . 37 VAL HG1 . 28032 1 387 . 1 . 1 37 37 VAL HG13 H 1 0.183 0.01 . . . . . . . 37 VAL HG1 . 28032 1 388 . 1 . 1 37 37 VAL HG21 H 1 0.751 0.02 . . . . . . . 37 VAL HG2 . 28032 1 389 . 1 . 1 37 37 VAL HG22 H 1 0.751 0.02 . . . . . . . 37 VAL HG2 . 28032 1 390 . 1 . 1 37 37 VAL HG23 H 1 0.751 0.02 . . . . . . . 37 VAL HG2 . 28032 1 391 . 1 . 1 37 37 VAL C C 13 175.242 0.00 . . . . . . . 37 VAL C . 28032 1 392 . 1 . 1 37 37 VAL CA C 13 60.378 0.08 . . . . . . . 37 VAL CA . 28032 1 393 . 1 . 1 37 37 VAL CB C 13 34.336 0.04 . . . . . . . 37 VAL CB . 28032 1 394 . 1 . 1 37 37 VAL CG1 C 13 19.900 0.11 . . . . . . . 37 VAL CG1 . 28032 1 395 . 1 . 1 37 37 VAL CG2 C 13 21.081 0.05 . . . . . . . 37 VAL CG2 . 28032 1 396 . 1 . 1 37 37 VAL N N 15 127.567 0.05 . . . . . . . 37 VAL N . 28032 1 397 . 1 . 1 38 38 ARG H H 1 9.077 0.01 . . . . . . . 38 ARG H . 28032 1 398 . 1 . 1 38 38 ARG HA H 1 5.388 0.03 . . . . . . . 38 ARG HA . 28032 1 399 . 1 . 1 38 38 ARG HB2 H 1 1.794 0.03 . . . . . . . 38 ARG HB . 28032 1 400 . 1 . 1 38 38 ARG HB3 H 1 1.794 0.03 . . . . . . . 38 ARG HB . 28032 1 401 . 1 . 1 38 38 ARG HG2 H 1 1.588 0.00 . . . . . . . 38 ARG HG . 28032 1 402 . 1 . 1 38 38 ARG HG3 H 1 1.588 0.00 . . . . . . . 38 ARG HG . 28032 1 403 . 1 . 1 38 38 ARG HD2 H 1 3.157 0.01 . . . . . . . 38 ARG HD2 . 28032 1 404 . 1 . 1 38 38 ARG HD3 H 1 3.160 0.00 . . . . . . . 38 ARG HD3 . 28032 1 405 . 1 . 1 38 38 ARG C C 13 175.030 0.00 . . . . . . . 38 ARG C . 28032 1 406 . 1 . 1 38 38 ARG CA C 13 54.213 0.21 . . . . . . . 38 ARG CA . 28032 1 407 . 1 . 1 38 38 ARG CB C 13 35.334 0.18 . . . . . . . 38 ARG CB . 28032 1 408 . 1 . 1 38 38 ARG CG C 13 27.086 0.00 . . . . . . . 38 ARG CG . 28032 1 409 . 1 . 1 38 38 ARG CD C 13 43.851 0.00 . . . . . . . 38 ARG CD . 28032 1 410 . 1 . 1 38 38 ARG N N 15 123.485 0.04 . . . . . . . 38 ARG N . 28032 1 411 . 1 . 1 39 39 TRP H H 1 8.503 0.01 . . . . . . . 39 TRP H . 28032 1 412 . 1 . 1 39 39 TRP HA H 1 6.185 0.01 . . . . . . . 39 TRP HA . 28032 1 413 . 1 . 1 39 39 TRP HB2 H 1 3.016 0.01 . . . . . . . 39 TRP HB . 28032 1 414 . 1 . 1 39 39 TRP HB3 H 1 3.016 0.01 . . . . . . . 39 TRP HB . 28032 1 415 . 1 . 1 39 39 TRP HD1 H 1 6.814 0.00 . . . . . . . 39 TRP HD1 . 28032 1 416 . 1 . 1 39 39 TRP HE1 H 1 10.037 0.00 . . . . . . . 39 TRP HE1 . 28032 1 417 . 1 . 1 39 39 TRP HZ2 H 1 6.979 0.00 . . . . . . . 39 TRP HZ2 . 28032 1 418 . 1 . 1 39 39 TRP C C 13 177.575 0.00 . . . . . . . 39 TRP C . 28032 1 419 . 1 . 1 39 39 TRP CA C 13 55.167 0.03 . . . . . . . 39 TRP CA . 28032 1 420 . 1 . 1 39 39 TRP CB C 13 31.991 0.04 . . . . . . . 39 TRP CB . 28032 1 421 . 1 . 1 39 39 TRP N N 15 121.157 0.09 . . . . . . . 39 TRP N . 28032 1 422 . 1 . 1 39 39 TRP NE1 N 15 131.211 0.07 . . . . . . . 39 TRP NE1 . 28032 1 423 . 1 . 1 40 40 TYR H H 1 9.762 0.01 . . . . . . . 40 TYR H . 28032 1 424 . 1 . 1 40 40 TYR HA H 1 5.235 0.01 . . . . . . . 40 TYR HA . 28032 1 425 . 1 . 1 40 40 TYR HB2 H 1 3.165 0.01 . . . . . . . 40 TYR HB2 . 28032 1 426 . 1 . 1 40 40 TYR HB3 H 1 2.636 0.01 . . . . . . . 40 TYR HB3 . 28032 1 427 . 1 . 1 40 40 TYR HD1 H 1 6.467 0.00 . . . . . . . 40 TYR HD . 28032 1 428 . 1 . 1 40 40 TYR HD2 H 1 6.467 0.00 . . . . . . . 40 TYR HD . 28032 1 429 . 1 . 1 40 40 TYR HE1 H 1 6.172 0.00 . . . . . . . 40 TYR HE . 28032 1 430 . 1 . 1 40 40 TYR HE2 H 1 6.172 0.00 . . . . . . . 40 TYR HE . 28032 1 431 . 1 . 1 40 40 TYR C C 13 172.351 0.00 . . . . . . . 40 TYR C . 28032 1 432 . 1 . 1 40 40 TYR CA C 13 56.608 0.02 . . . . . . . 40 TYR CA . 28032 1 433 . 1 . 1 40 40 TYR CB C 13 41.479 0.11 . . . . . . . 40 TYR CB . 28032 1 434 . 1 . 1 40 40 TYR CD1 C 13 132.804 0.04 . . . . . . . 40 TYR CD1 . 28032 1 435 . 1 . 1 40 40 TYR N N 15 120.478 0.03 . . . . . . . 40 TYR N . 28032 1 436 . 1 . 1 41 41 ARG H H 1 9.243 0.01 . . . . . . . 41 ARG H . 28032 1 437 . 1 . 1 41 41 ARG HA H 1 4.796 0.01 . . . . . . . 41 ARG HA . 28032 1 438 . 1 . 1 41 41 ARG HB2 H 1 2.046 0.00 . . . . . . . 41 ARG HB . 28032 1 439 . 1 . 1 41 41 ARG HB3 H 1 2.046 0.00 . . . . . . . 41 ARG HB . 28032 1 440 . 1 . 1 41 41 ARG HG2 H 1 1.579 0.01 . . . . . . . 41 ARG HG . 28032 1 441 . 1 . 1 41 41 ARG HG3 H 1 1.579 0.01 . . . . . . . 41 ARG HG . 28032 1 442 . 1 . 1 41 41 ARG C C 13 175.440 0.01 . . . . . . . 41 ARG C . 28032 1 443 . 1 . 1 41 41 ARG CA C 13 57.885 0.02 . . . . . . . 41 ARG CA . 28032 1 444 . 1 . 1 41 41 ARG CB C 13 30.984 0.06 . . . . . . . 41 ARG CB . 28032 1 445 . 1 . 1 41 41 ARG CG C 13 26.841 0.25 . . . . . . . 41 ARG CG . 28032 1 446 . 1 . 1 41 41 ARG N N 15 119.229 0.05 . . . . . . . 41 ARG N . 28032 1 447 . 1 . 1 42 42 SER H H 1 8.252 0.01 . . . . . . . 42 SER H . 28032 1 448 . 1 . 1 42 42 SER HA H 1 4.635 0.00 . . . . . . . 42 SER HA . 28032 1 449 . 1 . 1 42 42 SER HB2 H 1 3.876 0.01 . . . . . . . 42 SER HB . 28032 1 450 . 1 . 1 42 42 SER HB3 H 1 3.876 0.01 . . . . . . . 42 SER HB . 28032 1 451 . 1 . 1 42 42 SER C C 13 174.512 0.01 . . . . . . . 42 SER C . 28032 1 452 . 1 . 1 42 42 SER CA C 13 59.344 0.08 . . . . . . . 42 SER CA . 28032 1 453 . 1 . 1 42 42 SER CB C 13 64.511 0.04 . . . . . . . 42 SER CB . 28032 1 454 . 1 . 1 42 42 SER N N 15 112.464 0.07 . . . . . . . 42 SER N . 28032 1 455 . 1 . 1 43 43 ASP H H 1 8.324 0.03 . . . . . . . 43 ASP H . 28032 1 456 . 1 . 1 43 43 ASP HA H 1 4.873 0.00 . . . . . . . 43 ASP HA . 28032 1 457 . 1 . 1 43 43 ASP HB2 H 1 2.639 0.01 . . . . . . . 43 ASP HB2 . 28032 1 458 . 1 . 1 43 43 ASP HB3 H 1 2.452 0.00 . . . . . . . 43 ASP HB3 . 28032 1 459 . 1 . 1 43 43 ASP C C 13 175.079 0.00 . . . . . . . 43 ASP C . 28032 1 460 . 1 . 1 43 43 ASP CA C 13 50.664 0.17 . . . . . . . 43 ASP CA . 28032 1 461 . 1 . 1 43 43 ASP CB C 13 43.950 0.00 . . . . . . . 43 ASP CB . 28032 1 462 . 1 . 1 43 43 ASP N N 15 122.992 0.07 . . . . . . . 43 ASP N . 28032 1 463 . 1 . 1 44 44 PRO HA H 1 2.643 0.00 . . . . . . . 44 PRO HA . 28032 1 464 . 1 . 1 44 44 PRO HB2 H 1 1.185 0.01 . . . . . . . 44 PRO HB2 . 28032 1 465 . 1 . 1 44 44 PRO HB3 H 1 0.812 0.01 . . . . . . . 44 PRO HB3 . 28032 1 466 . 1 . 1 44 44 PRO C C 13 177.063 0.01 . . . . . . . 44 PRO C . 28032 1 467 . 1 . 1 44 44 PRO CA C 13 63.645 0.05 . . . . . . . 44 PRO CA . 28032 1 468 . 1 . 1 44 44 PRO CB C 13 30.718 0.11 . . . . . . . 44 PRO CB . 28032 1 469 . 1 . 1 44 44 PRO CG C 13 25.923 0.00 . . . . . . . 44 PRO CG . 28032 1 470 . 1 . 1 44 44 PRO CD C 13 50.241 0.00 . . . . . . . 44 PRO CD . 28032 1 471 . 1 . 1 45 45 ASP H H 1 8.053 0.02 . . . . . . . 45 ASP H . 28032 1 472 . 1 . 1 45 45 ASP HA H 1 4.394 0.01 . . . . . . . 45 ASP HA . 28032 1 473 . 1 . 1 45 45 ASP HB2 H 1 2.690 0.03 . . . . . . . 45 ASP HB2 . 28032 1 474 . 1 . 1 45 45 ASP HB3 H 1 2.427 0.02 . . . . . . . 45 ASP HB3 . 28032 1 475 . 1 . 1 45 45 ASP C C 13 176.196 0.01 . . . . . . . 45 ASP C . 28032 1 476 . 1 . 1 45 45 ASP CA C 13 54.515 0.03 . . . . . . . 45 ASP CA . 28032 1 477 . 1 . 1 45 45 ASP CB C 13 40.327 0.01 . . . . . . . 45 ASP CB . 28032 1 478 . 1 . 1 45 45 ASP N N 15 114.847 0.08 . . . . . . . 45 ASP N . 28032 1 479 . 1 . 1 46 46 MET H H 1 7.694 0.01 . . . . . . . 46 MET H . 28032 1 480 . 1 . 1 46 46 MET HA H 1 4.889 0.02 . . . . . . . 46 MET HA . 28032 1 481 . 1 . 1 46 46 MET HB2 H 1 1.821 0.01 . . . . . . . 46 MET HB . 28032 1 482 . 1 . 1 46 46 MET HB3 H 1 1.821 0.01 . . . . . . . 46 MET HB . 28032 1 483 . 1 . 1 46 46 MET HG2 H 1 2.394 0.00 . . . . . . . 46 MET HG2 . 28032 1 484 . 1 . 1 46 46 MET HG3 H 1 2.162 0.00 . . . . . . . 46 MET HG3 . 28032 1 485 . 1 . 1 46 46 MET HE1 H 1 2.182 0.01 . . . . . . . 46 MET HE . 28032 1 486 . 1 . 1 46 46 MET HE2 H 1 2.182 0.01 . . . . . . . 46 MET HE . 28032 1 487 . 1 . 1 46 46 MET HE3 H 1 2.182 0.01 . . . . . . . 46 MET HE . 28032 1 488 . 1 . 1 46 46 MET C C 13 172.564 0.00 . . . . . . . 46 MET C . 28032 1 489 . 1 . 1 46 46 MET CA C 13 52.614 0.00 . . . . . . . 46 MET CA . 28032 1 490 . 1 . 1 46 46 MET CB C 13 33.020 0.00 . . . . . . . 46 MET CB . 28032 1 491 . 1 . 1 46 46 MET CE C 13 17.613 0.00 . . . . . . . 46 MET CE . 28032 1 492 . 1 . 1 46 46 MET N N 15 120.866 0.06 . . . . . . . 46 MET N . 28032 1 493 . 1 . 1 47 47 PRO HA H 1 4.700 0.01 . . . . . . . 47 PRO HA . 28032 1 494 . 1 . 1 47 47 PRO HB2 H 1 2.140 0.02 . . . . . . . 47 PRO HB . 28032 1 495 . 1 . 1 47 47 PRO HB3 H 1 2.140 0.02 . . . . . . . 47 PRO HB . 28032 1 496 . 1 . 1 47 47 PRO HG2 H 1 2.013 0.00 . . . . . . . 47 PRO HG . 28032 1 497 . 1 . 1 47 47 PRO HG3 H 1 2.013 0.00 . . . . . . . 47 PRO HG . 28032 1 498 . 1 . 1 47 47 PRO C C 13 176.902 0.00 . . . . . . . 47 PRO C . 28032 1 499 . 1 . 1 47 47 PRO CA C 13 63.235 0.00 . . . . . . . 47 PRO CA . 28032 1 500 . 1 . 1 47 47 PRO CB C 13 32.630 0.00 . . . . . . . 47 PRO CB . 28032 1 501 . 1 . 1 47 47 PRO CG C 13 26.897 0.00 . . . . . . . 47 PRO CG . 28032 1 502 . 1 . 1 47 47 PRO CD C 13 49.959 0.00 . . . . . . . 47 PRO CD . 28032 1 503 . 1 . 1 48 48 VAL H H 1 9.369 0.00 . . . . . . . 48 VAL H . 28032 1 504 . 1 . 1 48 48 VAL HA H 1 3.867 0.01 . . . . . . . 48 VAL HA . 28032 1 505 . 1 . 1 48 48 VAL HB H 1 1.775 0.02 . . . . . . . 48 VAL HB . 28032 1 506 . 1 . 1 48 48 VAL HG11 H 1 0.574 0.01 . . . . . . . 48 VAL HG1 . 28032 1 507 . 1 . 1 48 48 VAL HG12 H 1 0.574 0.01 . . . . . . . 48 VAL HG1 . 28032 1 508 . 1 . 1 48 48 VAL HG13 H 1 0.574 0.01 . . . . . . . 48 VAL HG1 . 28032 1 509 . 1 . 1 48 48 VAL HG21 H 1 0.907 0.02 . . . . . . . 48 VAL HG2 . 28032 1 510 . 1 . 1 48 48 VAL HG22 H 1 0.907 0.02 . . . . . . . 48 VAL HG2 . 28032 1 511 . 1 . 1 48 48 VAL HG23 H 1 0.907 0.02 . . . . . . . 48 VAL HG2 . 28032 1 512 . 1 . 1 48 48 VAL C C 13 175.969 0.01 . . . . . . . 48 VAL C . 28032 1 513 . 1 . 1 48 48 VAL CA C 13 65.009 0.14 . . . . . . . 48 VAL CA . 28032 1 514 . 1 . 1 48 48 VAL CB C 13 32.945 0.11 . . . . . . . 48 VAL CB . 28032 1 515 . 1 . 1 48 48 VAL CG1 C 13 21.467 0.00 . . . . . . . 48 VAL CG1 . 28032 1 516 . 1 . 1 48 48 VAL CG2 C 13 21.428 0.00 . . . . . . . 48 VAL CG2 . 28032 1 517 . 1 . 1 48 48 VAL N N 15 120.088 0.04 . . . . . . . 48 VAL N . 28032 1 518 . 1 . 1 49 49 ILE H H 1 7.441 0.01 . . . . . . . 49 ILE H . 28032 1 519 . 1 . 1 49 49 ILE HA H 1 4.515 0.01 . . . . . . . 49 ILE HA . 28032 1 520 . 1 . 1 49 49 ILE HB H 1 1.907 0.00 . . . . . . . 49 ILE HB . 28032 1 521 . 1 . 1 49 49 ILE HG12 H 1 1.617 0.00 . . . . . . . 49 ILE HG12 . 28032 1 522 . 1 . 1 49 49 ILE HG13 H 1 1.350 0.00 . . . . . . . 49 ILE HG13 . 28032 1 523 . 1 . 1 49 49 ILE HG21 H 1 1.075 0.01 . . . . . . . 49 ILE HG2 . 28032 1 524 . 1 . 1 49 49 ILE HG22 H 1 1.075 0.01 . . . . . . . 49 ILE HG2 . 28032 1 525 . 1 . 1 49 49 ILE HG23 H 1 1.075 0.01 . . . . . . . 49 ILE HG2 . 28032 1 526 . 1 . 1 49 49 ILE HD11 H 1 1.014 0.01 . . . . . . . 49 ILE HD1 . 28032 1 527 . 1 . 1 49 49 ILE HD12 H 1 1.014 0.01 . . . . . . . 49 ILE HD1 . 28032 1 528 . 1 . 1 49 49 ILE HD13 H 1 1.014 0.01 . . . . . . . 49 ILE HD1 . 28032 1 529 . 1 . 1 49 49 ILE C C 13 173.464 0.02 . . . . . . . 49 ILE C . 28032 1 530 . 1 . 1 49 49 ILE CA C 13 60.391 0.04 . . . . . . . 49 ILE CA . 28032 1 531 . 1 . 1 49 49 ILE CB C 13 41.661 0.03 . . . . . . . 49 ILE CB . 28032 1 532 . 1 . 1 49 49 ILE CG1 C 13 28.843 0.00 . . . . . . . 49 ILE CG1 . 28032 1 533 . 1 . 1 49 49 ILE CG2 C 13 18.101 0.02 . . . . . . . 49 ILE CG2 . 28032 1 534 . 1 . 1 49 49 ILE CD1 C 13 14.504 0.06 . . . . . . . 49 ILE CD1 . 28032 1 535 . 1 . 1 49 49 ILE N N 15 112.151 0.05 . . . . . . . 49 ILE N . 28032 1 536 . 1 . 1 50 50 MET H H 1 8.905 0.02 . . . . . . . 50 MET H . 28032 1 537 . 1 . 1 50 50 MET HA H 1 5.503 0.02 . . . . . . . 50 MET HA . 28032 1 538 . 1 . 1 50 50 MET HB2 H 1 2.000 0.00 . . . . . . . 50 MET HB2 . 28032 1 539 . 1 . 1 50 50 MET HB3 H 1 1.879 0.02 . . . . . . . 50 MET HB3 . 28032 1 540 . 1 . 1 50 50 MET HG2 H 1 2.370 0.00 . . . . . . . 50 MET HG2 . 28032 1 541 . 1 . 1 50 50 MET HG3 H 1 2.167 0.00 . . . . . . . 50 MET HG3 . 28032 1 542 . 1 . 1 50 50 MET C C 13 172.703 0.00 . . . . . . . 50 MET C . 28032 1 543 . 1 . 1 50 50 MET CA C 13 55.222 0.04 . . . . . . . 50 MET CA . 28032 1 544 . 1 . 1 50 50 MET CB C 13 36.981 0.15 . . . . . . . 50 MET CB . 28032 1 545 . 1 . 1 50 50 MET CG C 13 31.262 0.00 . . . . . . . 50 MET CG . 28032 1 546 . 1 . 1 50 50 MET N N 15 125.687 0.06 . . . . . . . 50 MET N . 28032 1 547 . 1 . 1 51 51 TYR H H 1 9.265 0.01 . . . . . . . 51 TYR H . 28032 1 548 . 1 . 1 51 51 TYR HA H 1 4.746 0.03 . . . . . . . 51 TYR HA . 28032 1 549 . 1 . 1 51 51 TYR HB2 H 1 2.245 0.02 . . . . . . . 51 TYR HB2 . 28032 1 550 . 1 . 1 51 51 TYR HB3 H 1 1.914 0.02 . . . . . . . 51 TYR HB3 . 28032 1 551 . 1 . 1 51 51 TYR C C 13 175.141 0.00 . . . . . . . 51 TYR C . 28032 1 552 . 1 . 1 51 51 TYR CA C 13 56.349 0.06 . . . . . . . 51 TYR CA . 28032 1 553 . 1 . 1 51 51 TYR CB C 13 42.255 0.04 . . . . . . . 51 TYR CB . 28032 1 554 . 1 . 1 51 51 TYR N N 15 128.982 0.08 . . . . . . . 51 TYR N . 28032 1 555 . 1 . 1 52 52 ARG H H 1 8.607 0.01 . . . . . . . 52 ARG H . 28032 1 556 . 1 . 1 52 52 ARG HA H 1 4.758 0.00 . . . . . . . 52 ARG HA . 28032 1 557 . 1 . 1 52 52 ARG HB2 H 1 1.573 0.01 . . . . . . . 52 ARG HB2 . 28032 1 558 . 1 . 1 52 52 ARG HB3 H 1 1.434 0.00 . . . . . . . 52 ARG HB3 . 28032 1 559 . 1 . 1 52 52 ARG HD2 H 1 3.181 0.02 . . . . . . . 52 ARG HD . 28032 1 560 . 1 . 1 52 52 ARG HD3 H 1 3.181 0.02 . . . . . . . 52 ARG HD . 28032 1 561 . 1 . 1 52 52 ARG C C 13 175.818 0.01 . . . . . . . 52 ARG C . 28032 1 562 . 1 . 1 52 52 ARG CA C 13 55.835 0.08 . . . . . . . 52 ARG CA . 28032 1 563 . 1 . 1 52 52 ARG CB C 13 33.674 0.02 . . . . . . . 52 ARG CB . 28032 1 564 . 1 . 1 52 52 ARG CG C 13 27.175 0.00 . . . . . . . 52 ARG CG . 28032 1 565 . 1 . 1 52 52 ARG CD C 13 43.670 0.00 . . . . . . . 52 ARG CD . 28032 1 566 . 1 . 1 52 52 ARG N N 15 121.205 0.10 . . . . . . . 52 ARG N . 28032 1 567 . 1 . 1 53 53 ASP H H 1 8.761 0.00 . . . . . . . 53 ASP H . 28032 1 568 . 1 . 1 53 53 ASP HA H 1 4.496 0.02 . . . . . . . 53 ASP HA . 28032 1 569 . 1 . 1 53 53 ASP HB2 H 1 2.971 0.02 . . . . . . . 53 ASP HB2 . 28032 1 570 . 1 . 1 53 53 ASP HB3 H 1 2.571 0.02 . . . . . . . 53 ASP HB3 . 28032 1 571 . 1 . 1 53 53 ASP C C 13 177.184 0.02 . . . . . . . 53 ASP C . 28032 1 572 . 1 . 1 53 53 ASP CA C 13 55.638 0.14 . . . . . . . 53 ASP CA . 28032 1 573 . 1 . 1 53 53 ASP CB C 13 39.443 0.09 . . . . . . . 53 ASP CB . 28032 1 574 . 1 . 1 53 53 ASP N N 15 126.106 0.12 . . . . . . . 53 ASP N . 28032 1 575 . 1 . 1 54 54 GLY H H 1 8.824 0.04 . . . . . . . 54 GLY H . 28032 1 576 . 1 . 1 54 54 GLY HA2 H 1 4.099 0.02 . . . . . . . 54 GLY HA2 . 28032 1 577 . 1 . 1 54 54 GLY HA3 H 1 3.743 0.02 . . . . . . . 54 GLY HA3 . 28032 1 578 . 1 . 1 54 54 GLY C C 13 173.920 0.01 . . . . . . . 54 GLY C . 28032 1 579 . 1 . 1 54 54 GLY CA C 13 45.544 0.05 . . . . . . . 54 GLY CA . 28032 1 580 . 1 . 1 54 54 GLY N N 15 103.590 0.09 . . . . . . . 54 GLY N . 28032 1 581 . 1 . 1 55 55 ALA H H 1 7.387 0.01 . . . . . . . 55 ALA H . 28032 1 582 . 1 . 1 55 55 ALA HA H 1 4.329 0.01 . . . . . . . 55 ALA HA . 28032 1 583 . 1 . 1 55 55 ALA HB1 H 1 1.212 0.02 . . . . . . . 55 ALA HB . 28032 1 584 . 1 . 1 55 55 ALA HB2 H 1 1.212 0.02 . . . . . . . 55 ALA HB . 28032 1 585 . 1 . 1 55 55 ALA HB3 H 1 1.212 0.02 . . . . . . . 55 ALA HB . 28032 1 586 . 1 . 1 55 55 ALA C C 13 175.572 0.00 . . . . . . . 55 ALA C . 28032 1 587 . 1 . 1 55 55 ALA CA C 13 50.487 0.05 . . . . . . . 55 ALA CA . 28032 1 588 . 1 . 1 55 55 ALA CB C 13 21.932 0.05 . . . . . . . 55 ALA CB . 28032 1 589 . 1 . 1 55 55 ALA N N 15 122.254 0.04 . . . . . . . 55 ALA N . 28032 1 590 . 1 . 1 56 56 GLU H H 1 8.080 0.01 . . . . . . . 56 GLU H . 28032 1 591 . 1 . 1 56 56 GLU HA H 1 3.569 0.02 . . . . . . . 56 GLU HA . 28032 1 592 . 1 . 1 56 56 GLU HB2 H 1 1.734 0.00 . . . . . . . 56 GLU HB2 . 28032 1 593 . 1 . 1 56 56 GLU HB3 H 1 1.675 0.00 . . . . . . . 56 GLU HB3 . 28032 1 594 . 1 . 1 56 56 GLU HG2 H 1 2.172 0.00 . . . . . . . 56 GLU HG2 . 28032 1 595 . 1 . 1 56 56 GLU HG3 H 1 2.070 0.00 . . . . . . . 56 GLU HG3 . 28032 1 596 . 1 . 1 56 56 GLU C C 13 177.578 0.01 . . . . . . . 56 GLU C . 28032 1 597 . 1 . 1 56 56 GLU CA C 13 56.684 0.09 . . . . . . . 56 GLU CA . 28032 1 598 . 1 . 1 56 56 GLU CB C 13 29.860 0.06 . . . . . . . 56 GLU CB . 28032 1 599 . 1 . 1 56 56 GLU CG C 13 36.202 0.00 . . . . . . . 56 GLU CG . 28032 1 600 . 1 . 1 56 56 GLU N N 15 121.758 0.04 . . . . . . . 56 GLU N . 28032 1 601 . 1 . 1 57 57 VAL H H 1 8.472 0.01 . . . . . . . 57 VAL H . 28032 1 602 . 1 . 1 57 57 VAL HA H 1 4.129 0.03 . . . . . . . 57 VAL HA . 28032 1 603 . 1 . 1 57 57 VAL HB H 1 1.890 0.01 . . . . . . . 57 VAL HB . 28032 1 604 . 1 . 1 57 57 VAL HG11 H 1 0.871 0.00 . . . . . . . 57 VAL HG1 . 28032 1 605 . 1 . 1 57 57 VAL HG12 H 1 0.871 0.00 . . . . . . . 57 VAL HG1 . 28032 1 606 . 1 . 1 57 57 VAL HG13 H 1 0.871 0.00 . . . . . . . 57 VAL HG1 . 28032 1 607 . 1 . 1 57 57 VAL HG21 H 1 0.855 0.00 . . . . . . . 57 VAL HG2 . 28032 1 608 . 1 . 1 57 57 VAL HG22 H 1 0.855 0.00 . . . . . . . 57 VAL HG2 . 28032 1 609 . 1 . 1 57 57 VAL HG23 H 1 0.855 0.00 . . . . . . . 57 VAL HG2 . 28032 1 610 . 1 . 1 57 57 VAL C C 13 176.549 0.00 . . . . . . . 57 VAL C . 28032 1 611 . 1 . 1 57 57 VAL CA C 13 62.197 0.05 . . . . . . . 57 VAL CA . 28032 1 612 . 1 . 1 57 57 VAL CB C 13 32.038 0.05 . . . . . . . 57 VAL CB . 28032 1 613 . 1 . 1 57 57 VAL CG1 C 13 21.038 0.00 . . . . . . . 57 VAL CG1 . 28032 1 614 . 1 . 1 57 57 VAL CG2 C 13 22.049 0.00 . . . . . . . 57 VAL CG2 . 28032 1 615 . 1 . 1 57 57 VAL N N 15 126.558 0.16 . . . . . . . 57 VAL N . 28032 1 616 . 1 . 1 58 58 THR H H 1 8.147 0.01 . . . . . . . 58 THR H . 28032 1 617 . 1 . 1 58 58 THR HA H 1 4.499 0.01 . . . . . . . 58 THR HA . 28032 1 618 . 1 . 1 58 58 THR HB H 1 4.256 0.02 . . . . . . . 58 THR HB . 28032 1 619 . 1 . 1 58 58 THR HG21 H 1 1.171 0.02 . . . . . . . 58 THR HG2 . 28032 1 620 . 1 . 1 58 58 THR HG22 H 1 1.171 0.02 . . . . . . . 58 THR HG2 . 28032 1 621 . 1 . 1 58 58 THR HG23 H 1 1.171 0.02 . . . . . . . 58 THR HG2 . 28032 1 622 . 1 . 1 58 58 THR C C 13 175.610 0.02 . . . . . . . 58 THR C . 28032 1 623 . 1 . 1 58 58 THR CA C 13 61.566 0.14 . . . . . . . 58 THR CA . 28032 1 624 . 1 . 1 58 58 THR CB C 13 70.152 0.28 . . . . . . . 58 THR CB . 28032 1 625 . 1 . 1 58 58 THR CG2 C 13 21.499 0.00 . . . . . . . 58 THR CG2 . 28032 1 626 . 1 . 1 58 58 THR N N 15 118.658 0.10 . . . . . . . 58 THR N . 28032 1 627 . 1 . 1 59 59 GLY H H 1 8.471 0.00 . . . . . . . 59 GLY H . 28032 1 628 . 1 . 1 59 59 GLY HA2 H 1 3.992 0.03 . . . . . . . 59 GLY HA2 . 28032 1 629 . 1 . 1 59 59 GLY HA3 H 1 3.870 0.01 . . . . . . . 59 GLY HA3 . 28032 1 630 . 1 . 1 59 59 GLY C C 13 174.847 0.00 . . . . . . . 59 GLY C . 28032 1 631 . 1 . 1 59 59 GLY CA C 13 45.490 0.06 . . . . . . . 59 GLY CA . 28032 1 632 . 1 . 1 59 59 GLY N N 15 109.053 0.08 . . . . . . . 59 GLY N . 28032 1 633 . 1 . 1 60 60 LEU H H 1 7.958 0.01 . . . . . . . 60 LEU H . 28032 1 634 . 1 . 1 60 60 LEU HA H 1 4.630 0.00 . . . . . . . 60 LEU HA . 28032 1 635 . 1 . 1 60 60 LEU HB2 H 1 1.531 0.01 . . . . . . . 60 LEU HB . 28032 1 636 . 1 . 1 60 60 LEU HB3 H 1 1.531 0.01 . . . . . . . 60 LEU HB . 28032 1 637 . 1 . 1 60 60 LEU HD11 H 1 0.811 0.00 . . . . . . . 60 LEU HD1 . 28032 1 638 . 1 . 1 60 60 LEU HD12 H 1 0.811 0.00 . . . . . . . 60 LEU HD1 . 28032 1 639 . 1 . 1 60 60 LEU HD13 H 1 0.811 0.00 . . . . . . . 60 LEU HD1 . 28032 1 640 . 1 . 1 60 60 LEU HD21 H 1 0.812 0.00 . . . . . . . 60 LEU HD2 . 28032 1 641 . 1 . 1 60 60 LEU HD22 H 1 0.812 0.00 . . . . . . . 60 LEU HD2 . 28032 1 642 . 1 . 1 60 60 LEU HD23 H 1 0.812 0.00 . . . . . . . 60 LEU HD2 . 28032 1 643 . 1 . 1 60 60 LEU C C 13 175.847 0.00 . . . . . . . 60 LEU C . 28032 1 644 . 1 . 1 60 60 LEU CA C 13 52.889 0.04 . . . . . . . 60 LEU CA . 28032 1 645 . 1 . 1 60 60 LEU CB C 13 41.550 0.14 . . . . . . . 60 LEU CB . 28032 1 646 . 1 . 1 60 60 LEU CG C 13 26.978 0.00 . . . . . . . 60 LEU CG . 28032 1 647 . 1 . 1 60 60 LEU CD1 C 13 24.985 0.01 . . . . . . . 60 LEU CD1 . 28032 1 648 . 1 . 1 60 60 LEU CD2 C 13 23.337 0.00 . . . . . . . 60 LEU CD2 . 28032 1 649 . 1 . 1 60 60 LEU N N 15 122.691 0.04 . . . . . . . 60 LEU N . 28032 1 650 . 1 . 1 61 61 PRO HA H 1 4.492 0.02 . . . . . . . 61 PRO HA . 28032 1 651 . 1 . 1 61 61 PRO HB2 H 1 2.319 0.01 . . . . . . . 61 PRO HB2 . 28032 1 652 . 1 . 1 61 61 PRO HB3 H 1 2.000 0.01 . . . . . . . 61 PRO HB3 . 28032 1 653 . 1 . 1 61 61 PRO C C 13 177.135 0.03 . . . . . . . 61 PRO C . 28032 1 654 . 1 . 1 61 61 PRO CA C 13 63.532 0.05 . . . . . . . 61 PRO CA . 28032 1 655 . 1 . 1 61 61 PRO CB C 13 31.584 0.03 . . . . . . . 61 PRO CB . 28032 1 656 . 1 . 1 61 61 PRO CG C 13 27.465 0.00 . . . . . . . 61 PRO CG . 28032 1 657 . 1 . 1 61 61 PRO CD C 13 50.372 0.00 . . . . . . . 61 PRO CD . 28032 1 658 . 1 . 1 62 62 MET H H 1 8.105 0.01 . . . . . . . 62 MET H . 28032 1 659 . 1 . 1 62 62 MET HA H 1 4.601 0.01 . . . . . . . 62 MET HA . 28032 1 660 . 1 . 1 62 62 MET HB2 H 1 1.989 0.01 . . . . . . . 62 MET HB . 28032 1 661 . 1 . 1 62 62 MET HB3 H 1 1.989 0.01 . . . . . . . 62 MET HB . 28032 1 662 . 1 . 1 62 62 MET HG2 H 1 2.664 0.01 . . . . . . . 62 MET HG . 28032 1 663 . 1 . 1 62 62 MET HG3 H 1 2.664 0.01 . . . . . . . 62 MET HG . 28032 1 664 . 1 . 1 62 62 MET CA C 13 55.332 0.08 . . . . . . . 62 MET CA . 28032 1 665 . 1 . 1 62 62 MET CB C 13 34.038 0.04 . . . . . . . 62 MET CB . 28032 1 666 . 1 . 1 62 62 MET N N 15 119.323 0.04 . . . . . . . 62 MET N . 28032 1 667 . 1 . 1 63 63 GLU H H 1 8.397 0.01 . . . . . . . 63 GLU H . 28032 1 668 . 1 . 1 63 63 GLU HA H 1 4.197 0.02 . . . . . . . 63 GLU HA . 28032 1 669 . 1 . 1 63 63 GLU HB2 H 1 2.090 0.02 . . . . . . . 63 GLU HB2 . 28032 1 670 . 1 . 1 63 63 GLU HB3 H 1 1.893 0.00 . . . . . . . 63 GLU HB3 . 28032 1 671 . 1 . 1 63 63 GLU HG2 H 1 2.300 0.00 . . . . . . . 63 GLU HG2 . 28032 1 672 . 1 . 1 63 63 GLU HG3 H 1 2.240 0.00 . . . . . . . 63 GLU HG3 . 28032 1 673 . 1 . 1 63 63 GLU C C 13 177.825 0.00 . . . . . . . 63 GLU C . 28032 1 674 . 1 . 1 63 63 GLU CA C 13 57.692 0.03 . . . . . . . 63 GLU CA . 28032 1 675 . 1 . 1 63 63 GLU CB C 13 29.848 0.21 . . . . . . . 63 GLU CB . 28032 1 676 . 1 . 1 63 63 GLU CG C 13 36.301 0.22 . . . . . . . 63 GLU CG . 28032 1 677 . 1 . 1 63 63 GLU N N 15 122.793 0.04 . . . . . . . 63 GLU N . 28032 1 678 . 1 . 1 64 64 GLY H H 1 8.605 0.01 . . . . . . . 64 GLY H . 28032 1 679 . 1 . 1 64 64 GLY HA2 H 1 4.017 0.00 . . . . . . . 64 GLY HA2 . 28032 1 680 . 1 . 1 64 64 GLY HA3 H 1 3.921 0.00 . . . . . . . 64 GLY HA3 . 28032 1 681 . 1 . 1 64 64 GLY C C 13 175.590 0.01 . . . . . . . 64 GLY C . 28032 1 682 . 1 . 1 64 64 GLY CA C 13 46.186 0.07 . . . . . . . 64 GLY CA . 28032 1 683 . 1 . 1 64 64 GLY N N 15 111.293 0.09 . . . . . . . 64 GLY N . 28032 1 684 . 1 . 1 65 65 TYR H H 1 8.432 0.01 . . . . . . . 65 TYR H . 28032 1 685 . 1 . 1 65 65 TYR HA H 1 4.415 0.02 . . . . . . . 65 TYR HA . 28032 1 686 . 1 . 1 65 65 TYR HB2 H 1 3.190 0.02 . . . . . . . 65 TYR HB2 . 28032 1 687 . 1 . 1 65 65 TYR HB3 H 1 2.986 0.02 . . . . . . . 65 TYR HB3 . 28032 1 688 . 1 . 1 65 65 TYR C C 13 177.881 0.00 . . . . . . . 65 TYR C . 28032 1 689 . 1 . 1 65 65 TYR CA C 13 59.466 0.09 . . . . . . . 65 TYR CA . 28032 1 690 . 1 . 1 65 65 TYR CB C 13 39.704 0.07 . . . . . . . 65 TYR CB . 28032 1 691 . 1 . 1 65 65 TYR N N 15 121.266 0.10 . . . . . . . 65 TYR N . 28032 1 692 . 1 . 1 66 66 GLY H H 1 8.747 0.01 . . . . . . . 66 GLY H . 28032 1 693 . 1 . 1 66 66 GLY HA2 H 1 3.949 0.01 . . . . . . . 66 GLY HA2 . 28032 1 694 . 1 . 1 66 66 GLY HA3 H 1 3.886 0.00 . . . . . . . 66 GLY HA3 . 28032 1 695 . 1 . 1 66 66 GLY C C 13 176.298 0.00 . . . . . . . 66 GLY C . 28032 1 696 . 1 . 1 66 66 GLY CA C 13 47.206 0.05 . . . . . . . 66 GLY CA . 28032 1 697 . 1 . 1 66 66 GLY N N 15 111.401 0.06 . . . . . . . 66 GLY N . 28032 1 698 . 1 . 1 67 67 GLY H H 1 8.692 0.01 . . . . . . . 67 GLY H . 28032 1 699 . 1 . 1 67 67 GLY HA2 H 1 4.174 0.02 . . . . . . . 67 GLY HA2 . 28032 1 700 . 1 . 1 67 67 GLY HA3 H 1 3.922 0.02 . . . . . . . 67 GLY HA3 . 28032 1 701 . 1 . 1 67 67 GLY C C 13 175.722 0.02 . . . . . . . 67 GLY C . 28032 1 702 . 1 . 1 67 67 GLY CA C 13 45.734 0.06 . . . . . . . 67 GLY CA . 28032 1 703 . 1 . 1 67 67 GLY N N 15 111.551 0.06 . . . . . . . 67 GLY N . 28032 1 704 . 1 . 1 68 68 ARG H H 1 8.014 0.00 . . . . . . . 68 ARG H . 28032 1 705 . 1 . 1 68 68 ARG HA H 1 4.314 0.02 . . . . . . . 68 ARG HA . 28032 1 706 . 1 . 1 68 68 ARG HB2 H 1 2.283 0.02 . . . . . . . 68 ARG HB2 . 28032 1 707 . 1 . 1 68 68 ARG HB3 H 1 1.828 0.02 . . . . . . . 68 ARG HB3 . 28032 1 708 . 1 . 1 68 68 ARG HG2 H 1 1.419 0.02 . . . . . . . 68 ARG HG . 28032 1 709 . 1 . 1 68 68 ARG HG3 H 1 1.419 0.02 . . . . . . . 68 ARG HG . 28032 1 710 . 1 . 1 68 68 ARG C C 13 175.301 0.03 . . . . . . . 68 ARG C . 28032 1 711 . 1 . 1 68 68 ARG CA C 13 57.275 0.05 . . . . . . . 68 ARG CA . 28032 1 712 . 1 . 1 68 68 ARG CB C 13 30.848 0.08 . . . . . . . 68 ARG CB . 28032 1 713 . 1 . 1 68 68 ARG CG C 13 29.096 0.00 . . . . . . . 68 ARG CG . 28032 1 714 . 1 . 1 68 68 ARG CD C 13 42.593 0.00 . . . . . . . 68 ARG CD . 28032 1 715 . 1 . 1 68 68 ARG N N 15 118.369 0.07 . . . . . . . 68 ARG N . 28032 1 716 . 1 . 1 69 69 ALA H H 1 7.529 0.01 . . . . . . . 69 ALA H . 28032 1 717 . 1 . 1 69 69 ALA HA H 1 5.283 0.02 . . . . . . . 69 ALA HA . 28032 1 718 . 1 . 1 69 69 ALA HB1 H 1 1.064 0.02 . . . . . . . 69 ALA HB . 28032 1 719 . 1 . 1 69 69 ALA HB2 H 1 1.064 0.02 . . . . . . . 69 ALA HB . 28032 1 720 . 1 . 1 69 69 ALA HB3 H 1 1.064 0.02 . . . . . . . 69 ALA HB . 28032 1 721 . 1 . 1 69 69 ALA C C 13 177.006 0.01 . . . . . . . 69 ALA C . 28032 1 722 . 1 . 1 69 69 ALA CA C 13 50.362 0.10 . . . . . . . 69 ALA CA . 28032 1 723 . 1 . 1 69 69 ALA CB C 13 20.324 0.05 . . . . . . . 69 ALA CB . 28032 1 724 . 1 . 1 69 69 ALA N N 15 120.110 0.05 . . . . . . . 69 ALA N . 28032 1 725 . 1 . 1 70 70 GLU H H 1 9.143 0.01 . . . . . . . 70 GLU H . 28032 1 726 . 1 . 1 70 70 GLU HA H 1 4.659 0.03 . . . . . . . 70 GLU HA . 28032 1 727 . 1 . 1 70 70 GLU HB2 H 1 1.808 0.00 . . . . . . . 70 GLU HB . 28032 1 728 . 1 . 1 70 70 GLU HB3 H 1 1.808 0.00 . . . . . . . 70 GLU HB . 28032 1 729 . 1 . 1 70 70 GLU HG2 H 1 2.074 0.00 . . . . . . . 70 GLU HG . 28032 1 730 . 1 . 1 70 70 GLU HG3 H 1 2.074 0.00 . . . . . . . 70 GLU HG . 28032 1 731 . 1 . 1 70 70 GLU C C 13 174.842 0.00 . . . . . . . 70 GLU C . 28032 1 732 . 1 . 1 70 70 GLU CA C 13 54.624 0.04 . . . . . . . 70 GLU CA . 28032 1 733 . 1 . 1 70 70 GLU CB C 13 33.830 0.03 . . . . . . . 70 GLU CB . 28032 1 734 . 1 . 1 70 70 GLU CG C 13 35.860 0.00 . . . . . . . 70 GLU CG . 28032 1 735 . 1 . 1 70 70 GLU N N 15 122.026 0.06 . . . . . . . 70 GLU N . 28032 1 736 . 1 . 1 71 71 TRP H H 1 8.740 0.01 . . . . . . . 71 TRP H . 28032 1 737 . 1 . 1 71 71 TRP HA H 1 4.383 0.02 . . . . . . . 71 TRP HA . 28032 1 738 . 1 . 1 71 71 TRP HB2 H 1 3.190 0.01 . . . . . . . 71 TRP HB2 . 28032 1 739 . 1 . 1 71 71 TRP HB3 H 1 3.024 0.01 . . . . . . . 71 TRP HB3 . 28032 1 740 . 1 . 1 71 71 TRP C C 13 176.393 0.01 . . . . . . . 71 TRP C . 28032 1 741 . 1 . 1 71 71 TRP CA C 13 57.287 0.08 . . . . . . . 71 TRP CA . 28032 1 742 . 1 . 1 71 71 TRP CB C 13 30.223 0.04 . . . . . . . 71 TRP CB . 28032 1 743 . 1 . 1 71 71 TRP N N 15 125.923 0.06 . . . . . . . 71 TRP N . 28032 1 744 . 1 . 1 72 72 MET H H 1 7.771 0.01 . . . . . . . 72 MET H . 28032 1 745 . 1 . 1 72 72 MET HA H 1 4.652 0.01 . . . . . . . 72 MET HA . 28032 1 746 . 1 . 1 72 72 MET HB2 H 1 1.837 0.03 . . . . . . . 72 MET HB2 . 28032 1 747 . 1 . 1 72 72 MET HB3 H 1 1.648 0.02 . . . . . . . 72 MET HB3 . 28032 1 748 . 1 . 1 72 72 MET HG2 H 1 2.234 0.00 . . . . . . . 72 MET HG . 28032 1 749 . 1 . 1 72 72 MET HG3 H 1 2.234 0.00 . . . . . . . 72 MET HG . 28032 1 750 . 1 . 1 72 72 MET HE1 H 1 1.929 0.01 . . . . . . . 72 MET HE . 28032 1 751 . 1 . 1 72 72 MET HE2 H 1 1.929 0.01 . . . . . . . 72 MET HE . 28032 1 752 . 1 . 1 72 72 MET HE3 H 1 1.929 0.01 . . . . . . . 72 MET HE . 28032 1 753 . 1 . 1 72 72 MET C C 13 175.125 0.01 . . . . . . . 72 MET C . 28032 1 754 . 1 . 1 72 72 MET CA C 13 54.222 0.04 . . . . . . . 72 MET CA . 28032 1 755 . 1 . 1 72 72 MET CB C 13 33.684 0.03 . . . . . . . 72 MET CB . 28032 1 756 . 1 . 1 72 72 MET CG C 13 31.466 0.00 . . . . . . . 72 MET CG . 28032 1 757 . 1 . 1 72 72 MET CE C 13 16.945 0.01 . . . . . . . 72 MET CE . 28032 1 758 . 1 . 1 72 72 MET N N 15 126.527 0.07 . . . . . . . 72 MET N . 28032 1 759 . 1 . 1 73 73 GLU H H 1 8.498 0.01 . . . . . . . 73 GLU H . 28032 1 760 . 1 . 1 73 73 GLU HA H 1 4.337 0.01 . . . . . . . 73 GLU HA . 28032 1 761 . 1 . 1 73 73 GLU HB2 H 1 2.018 0.02 . . . . . . . 73 GLU HB . 28032 1 762 . 1 . 1 73 73 GLU HB3 H 1 2.018 0.02 . . . . . . . 73 GLU HB . 28032 1 763 . 1 . 1 73 73 GLU HG2 H 1 2.288 0.00 . . . . . . . 73 GLU HG2 . 28032 1 764 . 1 . 1 73 73 GLU HG3 H 1 2.257 0.01 . . . . . . . 73 GLU HG3 . 28032 1 765 . 1 . 1 73 73 GLU C C 13 176.175 0.00 . . . . . . . 73 GLU C . 28032 1 766 . 1 . 1 73 73 GLU CA C 13 56.134 0.08 . . . . . . . 73 GLU CA . 28032 1 767 . 1 . 1 73 73 GLU CB C 13 31.345 0.06 . . . . . . . 73 GLU CB . 28032 1 768 . 1 . 1 73 73 GLU CG C 13 36.196 0.07 . . . . . . . 73 GLU CG . 28032 1 769 . 1 . 1 73 73 GLU N N 15 123.985 0.08 . . . . . . . 73 GLU N . 28032 1 770 . 1 . 1 74 74 ASP H H 1 8.438 0.02 . . . . . . . 74 ASP H . 28032 1 771 . 1 . 1 74 74 ASP HA H 1 4.651 0.01 . . . . . . . 74 ASP HA . 28032 1 772 . 1 . 1 74 74 ASP HB2 H 1 2.737 0.01 . . . . . . . 74 ASP HB2 . 28032 1 773 . 1 . 1 74 74 ASP HB3 H 1 2.519 0.02 . . . . . . . 74 ASP HB3 . 28032 1 774 . 1 . 1 74 74 ASP C C 13 177.371 0.01 . . . . . . . 74 ASP C . 28032 1 775 . 1 . 1 74 74 ASP CA C 13 54.486 0.06 . . . . . . . 74 ASP CA . 28032 1 776 . 1 . 1 74 74 ASP CB C 13 41.543 0.06 . . . . . . . 74 ASP CB . 28032 1 777 . 1 . 1 74 74 ASP N N 15 123.250 0.06 . . . . . . . 74 ASP N . 28032 1 778 . 1 . 1 75 75 SER H H 1 8.467 0.01 . . . . . . . 75 SER H . 28032 1 779 . 1 . 1 75 75 SER HA H 1 4.461 0.02 . . . . . . . 75 SER HA . 28032 1 780 . 1 . 1 75 75 SER HB2 H 1 3.915 0.01 . . . . . . . 75 SER HB . 28032 1 781 . 1 . 1 75 75 SER HB3 H 1 3.915 0.01 . . . . . . . 75 SER HB . 28032 1 782 . 1 . 1 75 75 SER C C 13 176.148 0.01 . . . . . . . 75 SER C . 28032 1 783 . 1 . 1 75 75 SER CA C 13 58.948 0.06 . . . . . . . 75 SER CA . 28032 1 784 . 1 . 1 75 75 SER CB C 13 63.527 0.05 . . . . . . . 75 SER CB . 28032 1 785 . 1 . 1 75 75 SER N N 15 117.338 0.06 . . . . . . . 75 SER N . 28032 1 786 . 1 . 1 76 76 THR H H 1 8.443 0.01 . . . . . . . 76 THR H . 28032 1 787 . 1 . 1 76 76 THR HA H 1 4.257 0.01 . . . . . . . 76 THR HA . 28032 1 788 . 1 . 1 76 76 THR HB H 1 4.087 0.00 . . . . . . . 76 THR HB . 28032 1 789 . 1 . 1 76 76 THR HG21 H 1 1.196 0.00 . . . . . . . 76 THR HG2 . 28032 1 790 . 1 . 1 76 76 THR HG22 H 1 1.196 0.00 . . . . . . . 76 THR HG2 . 28032 1 791 . 1 . 1 76 76 THR HG23 H 1 1.196 0.00 . . . . . . . 76 THR HG2 . 28032 1 792 . 1 . 1 76 76 THR C C 13 175.856 0.00 . . . . . . . 76 THR C . 28032 1 793 . 1 . 1 76 76 THR CA C 13 63.428 0.06 . . . . . . . 76 THR CA . 28032 1 794 . 1 . 1 76 76 THR CB C 13 69.541 0.07 . . . . . . . 76 THR CB . 28032 1 795 . 1 . 1 76 76 THR CG2 C 13 21.777 0.00 . . . . . . . 76 THR CG2 . 28032 1 796 . 1 . 1 76 76 THR N N 15 115.836 0.09 . . . . . . . 76 THR N . 28032 1 797 . 1 . 1 77 77 GLU H H 1 8.074 0.01 . . . . . . . 77 GLU H . 28032 1 798 . 1 . 1 77 77 GLU N N 15 121.777 0.09 . . . . . . . 77 GLU N . 28032 1 799 . 1 . 1 78 78 GLU HB2 H 1 2.151 0.00 . . . . . . . 78 GLU HB2 . 28032 1 800 . 1 . 1 78 78 GLU HB3 H 1 1.915 0.00 . . . . . . . 78 GLU HB3 . 28032 1 801 . 1 . 1 78 78 GLU C C 13 177.827 0.00 . . . . . . . 78 GLU C . 28032 1 802 . 1 . 1 78 78 GLU CA C 13 57.374 0.06 . . . . . . . 78 GLU CA . 28032 1 803 . 1 . 1 78 78 GLU CB C 13 29.943 0.03 . . . . . . . 78 GLU CB . 28032 1 804 . 1 . 1 78 78 GLU CG C 13 36.206 0.00 . . . . . . . 78 GLU CG . 28032 1 805 . 1 . 1 79 79 GLY H H 1 8.598 0.00 . . . . . . . 79 GLY H . 28032 1 806 . 1 . 1 79 79 GLY HA2 H 1 4.115 0.02 . . . . . . . 79 GLY HA2 . 28032 1 807 . 1 . 1 79 79 GLY HA3 H 1 3.939 0.01 . . . . . . . 79 GLY HA3 . 28032 1 808 . 1 . 1 79 79 GLY C C 13 173.312 0.00 . . . . . . . 79 GLY C . 28032 1 809 . 1 . 1 79 79 GLY CA C 13 46.840 0.17 . . . . . . . 79 GLY CA . 28032 1 810 . 1 . 1 79 79 GLY N N 15 111.352 0.12 . . . . . . . 79 GLY N . 28032 1 811 . 1 . 1 80 80 SER H H 1 7.772 0.00 . . . . . . . 80 SER H . 28032 1 812 . 1 . 1 80 80 SER HA H 1 5.161 0.02 . . . . . . . 80 SER HA . 28032 1 813 . 1 . 1 80 80 SER HB2 H 1 3.755 0.01 . . . . . . . 80 SER HB . 28032 1 814 . 1 . 1 80 80 SER HB3 H 1 3.755 0.01 . . . . . . . 80 SER HB . 28032 1 815 . 1 . 1 80 80 SER C C 13 174.919 0.01 . . . . . . . 80 SER C . 28032 1 816 . 1 . 1 80 80 SER CA C 13 56.864 0.07 . . . . . . . 80 SER CA . 28032 1 817 . 1 . 1 80 80 SER CB C 13 64.549 0.03 . . . . . . . 80 SER CB . 28032 1 818 . 1 . 1 80 80 SER N N 15 113.514 0.04 . . . . . . . 80 SER N . 28032 1 819 . 1 . 1 81 81 VAL H H 1 8.782 0.00 . . . . . . . 81 VAL H . 28032 1 820 . 1 . 1 81 81 VAL HA H 1 4.510 0.01 . . . . . . . 81 VAL HA . 28032 1 821 . 1 . 1 81 81 VAL HB H 1 1.848 0.01 . . . . . . . 81 VAL HB . 28032 1 822 . 1 . 1 81 81 VAL HG11 H 1 0.799 0.00 . . . . . . . 81 VAL HG1 . 28032 1 823 . 1 . 1 81 81 VAL HG12 H 1 0.799 0.00 . . . . . . . 81 VAL HG1 . 28032 1 824 . 1 . 1 81 81 VAL HG13 H 1 0.799 0.00 . . . . . . . 81 VAL HG1 . 28032 1 825 . 1 . 1 81 81 VAL HG21 H 1 0.849 0.00 . . . . . . . 81 VAL HG2 . 28032 1 826 . 1 . 1 81 81 VAL HG22 H 1 0.849 0.00 . . . . . . . 81 VAL HG2 . 28032 1 827 . 1 . 1 81 81 VAL HG23 H 1 0.849 0.00 . . . . . . . 81 VAL HG2 . 28032 1 828 . 1 . 1 81 81 VAL C C 13 174.328 0.00 . . . . . . . 81 VAL C . 28032 1 829 . 1 . 1 81 81 VAL CA C 13 59.978 0.03 . . . . . . . 81 VAL CA . 28032 1 830 . 1 . 1 81 81 VAL CB C 13 34.568 0.09 . . . . . . . 81 VAL CB . 28032 1 831 . 1 . 1 81 81 VAL CG1 C 13 21.666 0.00 . . . . . . . 81 VAL CG1 . 28032 1 832 . 1 . 1 81 81 VAL CG2 C 13 20.093 0.00 . . . . . . . 81 VAL CG2 . 28032 1 833 . 1 . 1 81 81 VAL N N 15 120.298 0.05 . . . . . . . 81 VAL N . 28032 1 834 . 1 . 1 82 82 ALA H H 1 8.221 0.01 . . . . . . . 82 ALA H . 28032 1 835 . 1 . 1 82 82 ALA HA H 1 5.381 0.02 . . . . . . . 82 ALA HA . 28032 1 836 . 1 . 1 82 82 ALA HB1 H 1 1.041 0.01 . . . . . . . 82 ALA HB . 28032 1 837 . 1 . 1 82 82 ALA HB2 H 1 1.041 0.01 . . . . . . . 82 ALA HB . 28032 1 838 . 1 . 1 82 82 ALA HB3 H 1 1.041 0.01 . . . . . . . 82 ALA HB . 28032 1 839 . 1 . 1 82 82 ALA C C 13 174.826 0.01 . . . . . . . 82 ALA C . 28032 1 840 . 1 . 1 82 82 ALA CA C 13 50.266 0.04 . . . . . . . 82 ALA CA . 28032 1 841 . 1 . 1 82 82 ALA CB C 13 22.774 0.05 . . . . . . . 82 ALA CB . 28032 1 842 . 1 . 1 82 82 ALA N N 15 123.915 0.04 . . . . . . . 82 ALA N . 28032 1 843 . 1 . 1 83 83 LEU H H 1 8.464 0.01 . . . . . . . 83 LEU H . 28032 1 844 . 1 . 1 83 83 LEU HA H 1 4.191 0.02 . . . . . . . 83 LEU HA . 28032 1 845 . 1 . 1 83 83 LEU HB2 H 1 0.108 0.01 . . . . . . . 83 LEU HB2 . 28032 1 846 . 1 . 1 83 83 LEU HB3 H 1 -0.902 0.01 . . . . . . . 83 LEU HB3 . 28032 1 847 . 1 . 1 83 83 LEU HG H 1 0.583 0.01 . . . . . . . 83 LEU HG . 28032 1 848 . 1 . 1 83 83 LEU HD11 H 1 0.296 0.01 . . . . . . . 83 LEU HD1 . 28032 1 849 . 1 . 1 83 83 LEU HD12 H 1 0.296 0.01 . . . . . . . 83 LEU HD1 . 28032 1 850 . 1 . 1 83 83 LEU HD13 H 1 0.296 0.01 . . . . . . . 83 LEU HD1 . 28032 1 851 . 1 . 1 83 83 LEU HD21 H 1 -0.140 0.00 . . . . . . . 83 LEU HD2 . 28032 1 852 . 1 . 1 83 83 LEU HD22 H 1 -0.140 0.00 . . . . . . . 83 LEU HD2 . 28032 1 853 . 1 . 1 83 83 LEU HD23 H 1 -0.140 0.00 . . . . . . . 83 LEU HD2 . 28032 1 854 . 1 . 1 83 83 LEU C C 13 174.563 0.01 . . . . . . . 83 LEU C . 28032 1 855 . 1 . 1 83 83 LEU CA C 13 52.401 0.12 . . . . . . . 83 LEU CA . 28032 1 856 . 1 . 1 83 83 LEU CB C 13 42.818 0.09 . . . . . . . 83 LEU CB . 28032 1 857 . 1 . 1 83 83 LEU CD1 C 13 23.575 0.08 . . . . . . . 83 LEU CD1 . 28032 1 858 . 1 . 1 83 83 LEU CD2 C 13 25.149 0.07 . . . . . . . 83 LEU CD2 . 28032 1 859 . 1 . 1 83 83 LEU N N 15 124.415 0.04 . . . . . . . 83 LEU N . 28032 1 860 . 1 . 1 84 84 LYS H H 1 8.847 0.01 . . . . . . . 84 LYS H . 28032 1 861 . 1 . 1 84 84 LYS HA H 1 5.034 0.02 . . . . . . . 84 LYS HA . 28032 1 862 . 1 . 1 84 84 LYS HB2 H 1 1.619 0.01 . . . . . . . 84 LYS HB2 . 28032 1 863 . 1 . 1 84 84 LYS HB3 H 1 1.375 0.02 . . . . . . . 84 LYS HB3 . 28032 1 864 . 1 . 1 84 84 LYS C C 13 175.779 0.02 . . . . . . . 84 LYS C . 28032 1 865 . 1 . 1 84 84 LYS CA C 13 53.686 0.07 . . . . . . . 84 LYS CA . 28032 1 866 . 1 . 1 84 84 LYS CB C 13 34.032 0.09 . . . . . . . 84 LYS CB . 28032 1 867 . 1 . 1 84 84 LYS CG C 13 24.510 0.00 . . . . . . . 84 LYS CG . 28032 1 868 . 1 . 1 84 84 LYS CD C 13 29.041 0.00 . . . . . . . 84 LYS CD . 28032 1 869 . 1 . 1 84 84 LYS CE C 13 41.782 0.00 . . . . . . . 84 LYS CE . 28032 1 870 . 1 . 1 84 84 LYS N N 15 128.099 0.04 . . . . . . . 84 LYS N . 28032 1 871 . 1 . 1 85 85 ILE H H 1 8.748 0.00 . . . . . . . 85 ILE H . 28032 1 872 . 1 . 1 85 85 ILE HA H 1 4.388 0.02 . . . . . . . 85 ILE HA . 28032 1 873 . 1 . 1 85 85 ILE HB H 1 1.399 0.01 . . . . . . . 85 ILE HB . 28032 1 874 . 1 . 1 85 85 ILE HG21 H 1 0.712 0.00 . . . . . . . 85 ILE HG2 . 28032 1 875 . 1 . 1 85 85 ILE HG22 H 1 0.712 0.00 . . . . . . . 85 ILE HG2 . 28032 1 876 . 1 . 1 85 85 ILE HG23 H 1 0.712 0.00 . . . . . . . 85 ILE HG2 . 28032 1 877 . 1 . 1 85 85 ILE HD11 H 1 0.385 0.01 . . . . . . . 85 ILE HD1 . 28032 1 878 . 1 . 1 85 85 ILE HD12 H 1 0.385 0.01 . . . . . . . 85 ILE HD1 . 28032 1 879 . 1 . 1 85 85 ILE HD13 H 1 0.385 0.01 . . . . . . . 85 ILE HD1 . 28032 1 880 . 1 . 1 85 85 ILE C C 13 176.033 0.01 . . . . . . . 85 ILE C . 28032 1 881 . 1 . 1 85 85 ILE CA C 13 59.666 0.09 . . . . . . . 85 ILE CA . 28032 1 882 . 1 . 1 85 85 ILE CB C 13 38.673 0.13 . . . . . . . 85 ILE CB . 28032 1 883 . 1 . 1 85 85 ILE CG1 C 13 26.651 0.08 . . . . . . . 85 ILE CG1 . 28032 1 884 . 1 . 1 85 85 ILE CG2 C 13 18.114 0.07 . . . . . . . 85 ILE CG2 . 28032 1 885 . 1 . 1 85 85 ILE CD1 C 13 12.448 0.00 . . . . . . . 85 ILE CD1 . 28032 1 886 . 1 . 1 85 85 ILE N N 15 126.399 0.12 . . . . . . . 85 ILE N . 28032 1 887 . 1 . 1 86 86 ARG H H 1 8.595 0.01 . . . . . . . 86 ARG H . 28032 1 888 . 1 . 1 86 86 ARG HA H 1 4.458 0.02 . . . . . . . 86 ARG HA . 28032 1 889 . 1 . 1 86 86 ARG HB2 H 1 1.673 0.03 . . . . . . . 86 ARG HB . 28032 1 890 . 1 . 1 86 86 ARG HB3 H 1 1.673 0.03 . . . . . . . 86 ARG HB . 28032 1 891 . 1 . 1 86 86 ARG HG2 H 1 1.371 0.02 . . . . . . . 86 ARG HG . 28032 1 892 . 1 . 1 86 86 ARG HG3 H 1 1.371 0.02 . . . . . . . 86 ARG HG . 28032 1 893 . 1 . 1 86 86 ARG HD2 H 1 3.144 0.02 . . . . . . . 86 ARG HD . 28032 1 894 . 1 . 1 86 86 ARG HD3 H 1 3.144 0.02 . . . . . . . 86 ARG HD . 28032 1 895 . 1 . 1 86 86 ARG C C 13 176.346 0.00 . . . . . . . 86 ARG C . 28032 1 896 . 1 . 1 86 86 ARG CA C 13 55.009 0.08 . . . . . . . 86 ARG CA . 28032 1 897 . 1 . 1 86 86 ARG CB C 13 31.474 0.06 . . . . . . . 86 ARG CB . 28032 1 898 . 1 . 1 86 86 ARG CG C 13 27.825 0.00 . . . . . . . 86 ARG CG . 28032 1 899 . 1 . 1 86 86 ARG CD C 13 43.073 0.00 . . . . . . . 86 ARG CD . 28032 1 900 . 1 . 1 86 86 ARG N N 15 124.989 0.05 . . . . . . . 86 ARG N . 28032 1 901 . 1 . 1 87 87 GLN H H 1 8.430 0.01 . . . . . . . 87 GLN H . 28032 1 902 . 1 . 1 87 87 GLN HA H 1 3.275 0.02 . . . . . . . 87 GLN HA . 28032 1 903 . 1 . 1 87 87 GLN HB2 H 1 1.983 0.01 . . . . . . . 87 GLN HB . 28032 1 904 . 1 . 1 87 87 GLN HB3 H 1 1.983 0.01 . . . . . . . 87 GLN HB . 28032 1 905 . 1 . 1 87 87 GLN HG2 H 1 2.284 0.03 . . . . . . . 87 GLN HG . 28032 1 906 . 1 . 1 87 87 GLN HG3 H 1 2.284 0.03 . . . . . . . 87 GLN HG . 28032 1 907 . 1 . 1 87 87 GLN HE21 H 1 7.541 0.00 . . . . . . . 87 GLN HE21 . 28032 1 908 . 1 . 1 87 87 GLN HE22 H 1 6.697 0.00 . . . . . . . 87 GLN HE22 . 28032 1 909 . 1 . 1 87 87 GLN C C 13 175.374 0.01 . . . . . . . 87 GLN C . 28032 1 910 . 1 . 1 87 87 GLN CA C 13 55.959 0.06 . . . . . . . 87 GLN CA . 28032 1 911 . 1 . 1 87 87 GLN CB C 13 27.210 0.09 . . . . . . . 87 GLN CB . 28032 1 912 . 1 . 1 87 87 GLN CG C 13 34.423 0.01 . . . . . . . 87 GLN CG . 28032 1 913 . 1 . 1 87 87 GLN N N 15 117.313 0.07 . . . . . . . 87 GLN N . 28032 1 914 . 1 . 1 87 87 GLN NE2 N 15 111.745 0.00 . . . . . . . 87 GLN NE2 . 28032 1 915 . 1 . 1 88 88 VAL H H 1 8.761 0.00 . . . . . . . 88 VAL H . 28032 1 916 . 1 . 1 88 88 VAL HA H 1 3.836 0.02 . . . . . . . 88 VAL HA . 28032 1 917 . 1 . 1 88 88 VAL HB H 1 2.049 0.02 . . . . . . . 88 VAL HB . 28032 1 918 . 1 . 1 88 88 VAL HG11 H 1 0.842 0.00 . . . . . . . 88 VAL HG1 . 28032 1 919 . 1 . 1 88 88 VAL HG12 H 1 0.842 0.00 . . . . . . . 88 VAL HG1 . 28032 1 920 . 1 . 1 88 88 VAL HG13 H 1 0.842 0.00 . . . . . . . 88 VAL HG1 . 28032 1 921 . 1 . 1 88 88 VAL HG21 H 1 0.787 0.00 . . . . . . . 88 VAL HG2 . 28032 1 922 . 1 . 1 88 88 VAL HG22 H 1 0.787 0.00 . . . . . . . 88 VAL HG2 . 28032 1 923 . 1 . 1 88 88 VAL HG23 H 1 0.787 0.00 . . . . . . . 88 VAL HG2 . 28032 1 924 . 1 . 1 88 88 VAL C C 13 176.824 0.01 . . . . . . . 88 VAL C . 28032 1 925 . 1 . 1 88 88 VAL CA C 13 63.530 0.03 . . . . . . . 88 VAL CA . 28032 1 926 . 1 . 1 88 88 VAL CB C 13 32.264 0.03 . . . . . . . 88 VAL CB . 28032 1 927 . 1 . 1 88 88 VAL CG1 C 13 23.345 0.00 . . . . . . . 88 VAL CG1 . 28032 1 928 . 1 . 1 88 88 VAL CG2 C 13 23.038 0.00 . . . . . . . 88 VAL CG2 . 28032 1 929 . 1 . 1 88 88 VAL N N 15 117.394 0.06 . . . . . . . 88 VAL N . 28032 1 930 . 1 . 1 89 89 GLN H H 1 9.397 0.00 . . . . . . . 89 GLN H . 28032 1 931 . 1 . 1 89 89 GLN HA H 1 4.927 0.01 . . . . . . . 89 GLN HA . 28032 1 932 . 1 . 1 89 89 GLN HB2 H 1 2.222 0.02 . . . . . . . 89 GLN HB2 . 28032 1 933 . 1 . 1 89 89 GLN HB3 H 1 1.777 0.03 . . . . . . . 89 GLN HB3 . 28032 1 934 . 1 . 1 89 89 GLN HG2 H 1 2.513 0.02 . . . . . . . 89 GLN HG2 . 28032 1 935 . 1 . 1 89 89 GLN HG3 H 1 2.208 0.01 . . . . . . . 89 GLN HG3 . 28032 1 936 . 1 . 1 89 89 GLN HE21 H 1 7.401 0.00 . . . . . . . 89 GLN HE21 . 28032 1 937 . 1 . 1 89 89 GLN HE22 H 1 6.718 0.00 . . . . . . . 89 GLN HE22 . 28032 1 938 . 1 . 1 89 89 GLN C C 13 175.633 0.00 . . . . . . . 89 GLN C . 28032 1 939 . 1 . 1 89 89 GLN CA C 13 52.194 0.00 . . . . . . . 89 GLN CA . 28032 1 940 . 1 . 1 89 89 GLN CB C 13 30.407 0.19 . . . . . . . 89 GLN CB . 28032 1 941 . 1 . 1 89 89 GLN CG C 13 32.771 0.20 . . . . . . . 89 GLN CG . 28032 1 942 . 1 . 1 89 89 GLN N N 15 124.687 0.03 . . . . . . . 89 GLN N . 28032 1 943 . 1 . 1 89 89 GLN NE2 N 15 112.649 0.00 . . . . . . . 89 GLN NE2 . 28032 1 944 . 1 . 1 90 90 PRO HA H 1 4.055 0.01 . . . . . . . 90 PRO HA . 28032 1 945 . 1 . 1 90 90 PRO HB2 H 1 2.425 0.00 . . . . . . . 90 PRO HB2 . 28032 1 946 . 1 . 1 90 90 PRO HB3 H 1 1.962 0.01 . . . . . . . 90 PRO HB3 . 28032 1 947 . 1 . 1 90 90 PRO HG2 H 1 2.251 0.00 . . . . . . . 90 PRO HG2 . 28032 1 948 . 1 . 1 90 90 PRO HG3 H 1 1.839 0.00 . . . . . . . 90 PRO HG3 . 28032 1 949 . 1 . 1 90 90 PRO C C 13 179.306 0.01 . . . . . . . 90 PRO C . 28032 1 950 . 1 . 1 90 90 PRO CA C 13 66.914 0.06 . . . . . . . 90 PRO CA . 28032 1 951 . 1 . 1 90 90 PRO CB C 13 31.552 0.06 . . . . . . . 90 PRO CB . 28032 1 952 . 1 . 1 90 90 PRO CG C 13 28.152 0.10 . . . . . . . 90 PRO CG . 28032 1 953 . 1 . 1 90 90 PRO CD C 13 50.426 0.04 . . . . . . . 90 PRO CD . 28032 1 954 . 1 . 1 91 91 SER H H 1 8.022 0.02 . . . . . . . 91 SER H . 28032 1 955 . 1 . 1 91 91 SER HA H 1 4.185 0.03 . . . . . . . 91 SER HA . 28032 1 956 . 1 . 1 91 91 SER HB2 H 1 3.832 0.02 . . . . . . . 91 SER HB . 28032 1 957 . 1 . 1 91 91 SER HB3 H 1 3.832 0.02 . . . . . . . 91 SER HB . 28032 1 958 . 1 . 1 91 91 SER C C 13 176.031 0.00 . . . . . . . 91 SER C . 28032 1 959 . 1 . 1 91 91 SER CA C 13 60.367 0.10 . . . . . . . 91 SER CA . 28032 1 960 . 1 . 1 91 91 SER CB C 13 62.416 0.04 . . . . . . . 91 SER CB . 28032 1 961 . 1 . 1 91 91 SER N N 15 109.550 0.10 . . . . . . . 91 SER N . 28032 1 962 . 1 . 1 92 92 ASP H H 1 8.340 0.01 . . . . . . . 92 ASP H . 28032 1 963 . 1 . 1 92 92 ASP HA H 1 4.502 0.02 . . . . . . . 92 ASP HA . 28032 1 964 . 1 . 1 92 92 ASP HB2 H 1 2.934 0.01 . . . . . . . 92 ASP HB2 . 28032 1 965 . 1 . 1 92 92 ASP HB3 H 1 2.723 0.02 . . . . . . . 92 ASP HB3 . 28032 1 966 . 1 . 1 92 92 ASP C C 13 177.355 0.01 . . . . . . . 92 ASP C . 28032 1 967 . 1 . 1 92 92 ASP CA C 13 55.549 0.11 . . . . . . . 92 ASP CA . 28032 1 968 . 1 . 1 92 92 ASP CB C 13 41.100 0.04 . . . . . . . 92 ASP CB . 28032 1 969 . 1 . 1 92 92 ASP N N 15 121.541 0.04 . . . . . . . 92 ASP N . 28032 1 970 . 1 . 1 93 93 ASP H H 1 7.337 0.00 . . . . . . . 93 ASP H . 28032 1 971 . 1 . 1 93 93 ASP HA H 1 4.213 0.02 . . . . . . . 93 ASP HA . 28032 1 972 . 1 . 1 93 93 ASP HB2 H 1 2.743 0.02 . . . . . . . 93 ASP HB2 . 28032 1 973 . 1 . 1 93 93 ASP HB3 H 1 2.634 0.00 . . . . . . . 93 ASP HB3 . 28032 1 974 . 1 . 1 93 93 ASP C C 13 176.458 0.01 . . . . . . . 93 ASP C . 28032 1 975 . 1 . 1 93 93 ASP CA C 13 56.069 0.08 . . . . . . . 93 ASP CA . 28032 1 976 . 1 . 1 93 93 ASP CB C 13 44.304 0.04 . . . . . . . 93 ASP CB . 28032 1 977 . 1 . 1 93 93 ASP N N 15 120.480 0.04 . . . . . . . 93 ASP N . 28032 1 978 . 1 . 1 94 94 GLY H H 1 9.360 0.01 . . . . . . . 94 GLY H . 28032 1 979 . 1 . 1 94 94 GLY HA2 H 1 4.643 0.02 . . . . . . . 94 GLY HA2 . 28032 1 980 . 1 . 1 94 94 GLY HA3 H 1 3.796 0.03 . . . . . . . 94 GLY HA3 . 28032 1 981 . 1 . 1 94 94 GLY C C 13 172.884 0.00 . . . . . . . 94 GLY C . 28032 1 982 . 1 . 1 94 94 GLY CA C 13 44.764 0.06 . . . . . . . 94 GLY CA . 28032 1 983 . 1 . 1 94 94 GLY N N 15 113.951 0.03 . . . . . . . 94 GLY N . 28032 1 984 . 1 . 1 95 95 GLN H H 1 8.367 0.00 . . . . . . . 95 GLN H . 28032 1 985 . 1 . 1 95 95 GLN HA H 1 4.790 0.01 . . . . . . . 95 GLN HA . 28032 1 986 . 1 . 1 95 95 GLN HB2 H 1 1.845 0.03 . . . . . . . 95 GLN HB . 28032 1 987 . 1 . 1 95 95 GLN HB3 H 1 1.845 0.03 . . . . . . . 95 GLN HB . 28032 1 988 . 1 . 1 95 95 GLN HG2 H 1 2.050 0.02 . . . . . . . 95 GLN HG . 28032 1 989 . 1 . 1 95 95 GLN HG3 H 1 2.050 0.02 . . . . . . . 95 GLN HG . 28032 1 990 . 1 . 1 95 95 GLN HE21 H 1 7.147 0.00 . . . . . . . 95 GLN HE21 . 28032 1 991 . 1 . 1 95 95 GLN HE22 H 1 6.923 0.00 . . . . . . . 95 GLN HE22 . 28032 1 992 . 1 . 1 95 95 GLN C C 13 176.261 0.01 . . . . . . . 95 GLN C . 28032 1 993 . 1 . 1 95 95 GLN CA C 13 56.417 0.05 . . . . . . . 95 GLN CA . 28032 1 994 . 1 . 1 95 95 GLN CB C 13 31.153 0.15 . . . . . . . 95 GLN CB . 28032 1 995 . 1 . 1 95 95 GLN CG C 13 34.681 0.02 . . . . . . . 95 GLN CG . 28032 1 996 . 1 . 1 95 95 GLN N N 15 119.764 0.03 . . . . . . . 95 GLN N . 28032 1 997 . 1 . 1 95 95 GLN NE2 N 15 111.353 0.00 . . . . . . . 95 GLN NE2 . 28032 1 998 . 1 . 1 96 96 TYR H H 1 9.116 0.01 . . . . . . . 96 TYR H . 28032 1 999 . 1 . 1 96 96 TYR HA H 1 4.697 0.02 . . . . . . . 96 TYR HA . 28032 1 1000 . 1 . 1 96 96 TYR HB2 H 1 2.933 0.01 . . . . . . . 96 TYR HB2 . 28032 1 1001 . 1 . 1 96 96 TYR HB3 H 1 2.758 0.00 . . . . . . . 96 TYR HB3 . 28032 1 1002 . 1 . 1 96 96 TYR C C 13 174.211 0.01 . . . . . . . 96 TYR C . 28032 1 1003 . 1 . 1 96 96 TYR CA C 13 57.399 0.07 . . . . . . . 96 TYR CA . 28032 1 1004 . 1 . 1 96 96 TYR CB C 13 41.998 0.02 . . . . . . . 96 TYR CB . 28032 1 1005 . 1 . 1 96 96 TYR N N 15 124.218 0.05 . . . . . . . 96 TYR N . 28032 1 1006 . 1 . 1 97 97 TRP H H 1 9.141 0.01 . . . . . . . 97 TRP H . 28032 1 1007 . 1 . 1 97 97 TRP HA H 1 4.954 0.02 . . . . . . . 97 TRP HA . 28032 1 1008 . 1 . 1 97 97 TRP HB2 H 1 2.327 0.02 . . . . . . . 97 TRP HB2 . 28032 1 1009 . 1 . 1 97 97 TRP HB3 H 1 1.037 0.01 . . . . . . . 97 TRP HB3 . 28032 1 1010 . 1 . 1 97 97 TRP C C 13 175.258 0.01 . . . . . . . 97 TRP C . 28032 1 1011 . 1 . 1 97 97 TRP CA C 13 55.808 0.08 . . . . . . . 97 TRP CA . 28032 1 1012 . 1 . 1 97 97 TRP CB C 13 30.641 0.04 . . . . . . . 97 TRP CB . 28032 1 1013 . 1 . 1 97 97 TRP N N 15 121.366 0.05 . . . . . . . 97 TRP N . 28032 1 1014 . 1 . 1 98 98 CYS H H 1 8.557 0.01 . . . . . . . 98 CYS H . 28032 1 1015 . 1 . 1 98 98 CYS HA H 1 4.688 0.01 . . . . . . . 98 CYS HA . 28032 1 1016 . 1 . 1 98 98 CYS HB2 H 1 2.042 0.01 . . . . . . . 98 CYS HB2 . 28032 1 1017 . 1 . 1 98 98 CYS HB3 H 1 0.647 0.02 . . . . . . . 98 CYS HB3 . 28032 1 1018 . 1 . 1 98 98 CYS C C 13 173.262 0.01 . . . . . . . 98 CYS C . 28032 1 1019 . 1 . 1 98 98 CYS CA C 13 52.430 0.02 . . . . . . . 98 CYS CA . 28032 1 1020 . 1 . 1 98 98 CYS CB C 13 42.231 0.04 . . . . . . . 98 CYS CB . 28032 1 1021 . 1 . 1 98 98 CYS N N 15 117.411 0.05 . . . . . . . 98 CYS N . 28032 1 1022 . 1 . 1 99 99 ARG H H 1 9.045 0.01 . . . . . . . 99 ARG H . 28032 1 1023 . 1 . 1 99 99 ARG HA H 1 5.374 0.00 . . . . . . . 99 ARG HA . 28032 1 1024 . 1 . 1 99 99 ARG HB2 H 1 2.216 0.01 . . . . . . . 99 ARG HB2 . 28032 1 1025 . 1 . 1 99 99 ARG HB3 H 1 1.774 0.01 . . . . . . . 99 ARG HB3 . 28032 1 1026 . 1 . 1 99 99 ARG HG2 H 1 1.442 0.00 . . . . . . . 99 ARG HG . 28032 1 1027 . 1 . 1 99 99 ARG HG3 H 1 1.442 0.00 . . . . . . . 99 ARG HG . 28032 1 1028 . 1 . 1 99 99 ARG C C 13 174.304 0.00 . . . . . . . 99 ARG C . 28032 1 1029 . 1 . 1 99 99 ARG CA C 13 54.515 0.07 . . . . . . . 99 ARG CA . 28032 1 1030 . 1 . 1 99 99 ARG CB C 13 34.389 0.06 . . . . . . . 99 ARG CB . 28032 1 1031 . 1 . 1 99 99 ARG CG C 13 27.312 0.00 . . . . . . . 99 ARG CG . 28032 1 1032 . 1 . 1 99 99 ARG CD C 13 43.633 0.00 . . . . . . . 99 ARG CD . 28032 1 1033 . 1 . 1 99 99 ARG N N 15 123.793 0.06 . . . . . . . 99 ARG N . 28032 1 1034 . 1 . 1 100 100 PHE H H 1 9.329 0.00 . . . . . . . 100 PHE H . 28032 1 1035 . 1 . 1 100 100 PHE HA H 1 5.253 0.01 . . . . . . . 100 PHE HA . 28032 1 1036 . 1 . 1 100 100 PHE HB2 H 1 3.139 0.03 . . . . . . . 100 PHE HB2 . 28032 1 1037 . 1 . 1 100 100 PHE HB3 H 1 3.004 0.02 . . . . . . . 100 PHE HB3 . 28032 1 1038 . 1 . 1 100 100 PHE C C 13 175.150 0.01 . . . . . . . 100 PHE C . 28032 1 1039 . 1 . 1 100 100 PHE CA C 13 56.719 0.08 . . . . . . . 100 PHE CA . 28032 1 1040 . 1 . 1 100 100 PHE CB C 13 41.704 0.05 . . . . . . . 100 PHE CB . 28032 1 1041 . 1 . 1 100 100 PHE N N 15 127.896 0.03 . . . . . . . 100 PHE N . 28032 1 1042 . 1 . 1 101 101 GLN H H 1 9.425 0.01 . . . . . . . 101 GLN H . 28032 1 1043 . 1 . 1 101 101 GLN HA H 1 5.706 0.02 . . . . . . . 101 GLN HA . 28032 1 1044 . 1 . 1 101 101 GLN HB2 H 1 2.101 0.01 . . . . . . . 101 GLN HB . 28032 1 1045 . 1 . 1 101 101 GLN HB3 H 1 2.101 0.01 . . . . . . . 101 GLN HB . 28032 1 1046 . 1 . 1 101 101 GLN HG2 H 1 2.419 0.02 . . . . . . . 101 GLN HG . 28032 1 1047 . 1 . 1 101 101 GLN HG3 H 1 2.419 0.02 . . . . . . . 101 GLN HG . 28032 1 1048 . 1 . 1 101 101 GLN C C 13 175.027 0.01 . . . . . . . 101 GLN C . 28032 1 1049 . 1 . 1 101 101 GLN CA C 13 54.684 0.07 . . . . . . . 101 GLN CA . 28032 1 1050 . 1 . 1 101 101 GLN CB C 13 31.772 0.07 . . . . . . . 101 GLN CB . 28032 1 1051 . 1 . 1 101 101 GLN CG C 13 32.443 0.00 . . . . . . . 101 GLN CG . 28032 1 1052 . 1 . 1 101 101 GLN N N 15 122.876 0.04 . . . . . . . 101 GLN N . 28032 1 1053 . 1 . 1 102 102 GLU H H 1 9.435 0.02 . . . . . . . 102 GLU H . 28032 1 1054 . 1 . 1 102 102 GLU HA H 1 4.885 0.01 . . . . . . . 102 GLU HA . 28032 1 1055 . 1 . 1 102 102 GLU HB2 H 1 2.462 0.03 . . . . . . . 102 GLU HB2 . 28032 1 1056 . 1 . 1 102 102 GLU HB3 H 1 2.115 0.00 . . . . . . . 102 GLU HB3 . 28032 1 1057 . 1 . 1 102 102 GLU C C 13 176.531 0.00 . . . . . . . 102 GLU C . 28032 1 1058 . 1 . 1 102 102 GLU CA C 13 55.331 0.08 . . . . . . . 102 GLU CA . 28032 1 1059 . 1 . 1 102 102 GLU CB C 13 32.909 0.06 . . . . . . . 102 GLU CB . 28032 1 1060 . 1 . 1 102 102 GLU CG C 13 36.512 0.00 . . . . . . . 102 GLU CG . 28032 1 1061 . 1 . 1 102 102 GLU N N 15 129.687 0.08 . . . . . . . 102 GLU N . 28032 1 1062 . 1 . 1 103 103 GLY H H 1 9.116 0.01 . . . . . . . 103 GLY H . 28032 1 1063 . 1 . 1 103 103 GLY HA2 H 1 4.122 0.02 . . . . . . . 103 GLY HA2 . 28032 1 1064 . 1 . 1 103 103 GLY HA3 H 1 3.782 0.03 . . . . . . . 103 GLY HA3 . 28032 1 1065 . 1 . 1 103 103 GLY C C 13 175.463 0.01 . . . . . . . 103 GLY C . 28032 1 1066 . 1 . 1 103 103 GLY CA C 13 47.134 0.05 . . . . . . . 103 GLY CA . 28032 1 1067 . 1 . 1 103 103 GLY N N 15 117.877 0.08 . . . . . . . 103 GLY N . 28032 1 1068 . 1 . 1 104 104 ASP H H 1 8.874 0.01 . . . . . . . 104 ASP H . 28032 1 1069 . 1 . 1 104 104 ASP HA H 1 4.737 0.01 . . . . . . . 104 ASP HA . 28032 1 1070 . 1 . 1 104 104 ASP HB2 H 1 2.806 0.01 . . . . . . . 104 ASP HB2 . 28032 1 1071 . 1 . 1 104 104 ASP HB3 H 1 2.657 0.00 . . . . . . . 104 ASP HB3 . 28032 1 1072 . 1 . 1 104 104 ASP C C 13 175.697 0.02 . . . . . . . 104 ASP C . 28032 1 1073 . 1 . 1 104 104 ASP CA C 13 54.372 0.12 . . . . . . . 104 ASP CA . 28032 1 1074 . 1 . 1 104 104 ASP CB C 13 41.026 0.05 . . . . . . . 104 ASP CB . 28032 1 1075 . 1 . 1 104 104 ASP N N 15 126.597 0.09 . . . . . . . 104 ASP N . 28032 1 1076 . 1 . 1 105 105 TYR H H 1 8.019 0.01 . . . . . . . 105 TYR H . 28032 1 1077 . 1 . 1 105 105 TYR HA H 1 4.531 0.02 . . . . . . . 105 TYR HA . 28032 1 1078 . 1 . 1 105 105 TYR HB2 H 1 3.283 0.02 . . . . . . . 105 TYR HB2 . 28032 1 1079 . 1 . 1 105 105 TYR HB3 H 1 2.925 0.01 . . . . . . . 105 TYR HB3 . 28032 1 1080 . 1 . 1 105 105 TYR HD1 H 1 6.828 0.01 . . . . . . . 105 TYR HD . 28032 1 1081 . 1 . 1 105 105 TYR HD2 H 1 6.828 0.01 . . . . . . . 105 TYR HD . 28032 1 1082 . 1 . 1 105 105 TYR C C 13 174.179 0.00 . . . . . . . 105 TYR C . 28032 1 1083 . 1 . 1 105 105 TYR CA C 13 57.736 0.04 . . . . . . . 105 TYR CA . 28032 1 1084 . 1 . 1 105 105 TYR CB C 13 40.499 0.10 . . . . . . . 105 TYR CB . 28032 1 1085 . 1 . 1 105 105 TYR CD1 C 13 133.100 0.04 . . . . . . . 105 TYR CD1 . 28032 1 1086 . 1 . 1 105 105 TYR CE1 C 13 117.465 0.02 . . . . . . . 105 TYR CE1 . 28032 1 1087 . 1 . 1 105 105 TYR N N 15 122.613 0.05 . . . . . . . 105 TYR N . 28032 1 1088 . 1 . 1 106 106 TRP H H 1 7.580 0.01 . . . . . . . 106 TRP H . 28032 1 1089 . 1 . 1 106 106 TRP HA H 1 5.984 0.02 . . . . . . . 106 TRP HA . 28032 1 1090 . 1 . 1 106 106 TRP HB2 H 1 3.171 0.02 . . . . . . . 106 TRP HB2 . 28032 1 1091 . 1 . 1 106 106 TRP HB3 H 1 2.893 0.02 . . . . . . . 106 TRP HB3 . 28032 1 1092 . 1 . 1 106 106 TRP HD1 H 1 6.828 0.00 . . . . . . . 106 TRP HD1 . 28032 1 1093 . 1 . 1 106 106 TRP HE1 H 1 9.923 0.00 . . . . . . . 106 TRP HE1 . 28032 1 1094 . 1 . 1 106 106 TRP HZ2 H 1 7.299 0.00 . . . . . . . 106 TRP HZ2 . 28032 1 1095 . 1 . 1 106 106 TRP C C 13 175.812 0.01 . . . . . . . 106 TRP C . 28032 1 1096 . 1 . 1 106 106 TRP CA C 13 54.485 0.06 . . . . . . . 106 TRP CA . 28032 1 1097 . 1 . 1 106 106 TRP CB C 13 33.012 0.06 . . . . . . . 106 TRP CB . 28032 1 1098 . 1 . 1 106 106 TRP N N 15 122.628 0.09 . . . . . . . 106 TRP N . 28032 1 1099 . 1 . 1 106 106 TRP NE1 N 15 129.341 0.03 . . . . . . . 106 TRP NE1 . 28032 1 1100 . 1 . 1 107 107 ARG H H 1 9.005 0.01 . . . . . . . 107 ARG H . 28032 1 1101 . 1 . 1 107 107 ARG HA H 1 4.680 0.01 . . . . . . . 107 ARG HA . 28032 1 1102 . 1 . 1 107 107 ARG HB2 H 1 2.135 0.03 . . . . . . . 107 ARG HB2 . 28032 1 1103 . 1 . 1 107 107 ARG HB3 H 1 1.766 0.02 . . . . . . . 107 ARG HB3 . 28032 1 1104 . 1 . 1 107 107 ARG HG2 H 1 1.028 0.02 . . . . . . . 107 ARG HG . 28032 1 1105 . 1 . 1 107 107 ARG HG3 H 1 1.028 0.02 . . . . . . . 107 ARG HG . 28032 1 1106 . 1 . 1 107 107 ARG C C 13 174.980 0.00 . . . . . . . 107 ARG C . 28032 1 1107 . 1 . 1 107 107 ARG CA C 13 53.932 0.10 . . . . . . . 107 ARG CA . 28032 1 1108 . 1 . 1 107 107 ARG CB C 13 36.463 0.04 . . . . . . . 107 ARG CB . 28032 1 1109 . 1 . 1 107 107 ARG CG C 13 26.346 0.00 . . . . . . . 107 ARG CG . 28032 1 1110 . 1 . 1 107 107 ARG CD C 13 42.955 0.00 . . . . . . . 107 ARG CD . 28032 1 1111 . 1 . 1 107 107 ARG N N 15 118.818 0.04 . . . . . . . 107 ARG N . 28032 1 1112 . 1 . 1 108 108 GLU H H 1 9.169 0.01 . . . . . . . 108 GLU H . 28032 1 1113 . 1 . 1 108 108 GLU HA H 1 6.072 0.02 . . . . . . . 108 GLU HA . 28032 1 1114 . 1 . 1 108 108 GLU HB2 H 1 2.432 0.00 . . . . . . . 108 GLU HB2 . 28032 1 1115 . 1 . 1 108 108 GLU HB3 H 1 2.233 0.00 . . . . . . . 108 GLU HB3 . 28032 1 1116 . 1 . 1 108 108 GLU C C 13 175.704 0.00 . . . . . . . 108 GLU C . 28032 1 1117 . 1 . 1 108 108 GLU CA C 13 54.406 0.03 . . . . . . . 108 GLU CA . 28032 1 1118 . 1 . 1 108 108 GLU CB C 13 35.154 0.03 . . . . . . . 108 GLU CB . 28032 1 1119 . 1 . 1 108 108 GLU N N 15 117.657 0.04 . . . . . . . 108 GLU N . 28032 1 1120 . 1 . 1 109 109 THR H H 1 8.196 0.00 . . . . . . . 109 THR H . 28032 1 1121 . 1 . 1 109 109 THR HA H 1 4.699 0.01 . . . . . . . 109 THR HA . 28032 1 1122 . 1 . 1 109 109 THR HB H 1 4.143 0.02 . . . . . . . 109 THR HB . 28032 1 1123 . 1 . 1 109 109 THR HG21 H 1 1.046 0.00 . . . . . . . 109 THR HG2 . 28032 1 1124 . 1 . 1 109 109 THR HG22 H 1 1.046 0.00 . . . . . . . 109 THR HG2 . 28032 1 1125 . 1 . 1 109 109 THR HG23 H 1 1.046 0.00 . . . . . . . 109 THR HG2 . 28032 1 1126 . 1 . 1 109 109 THR C C 13 170.7 0.00 . . . . . . . 109 THR C . 28032 1 1127 . 1 . 1 109 109 THR CA C 13 60.988 0.08 . . . . . . . 109 THR CA . 28032 1 1128 . 1 . 1 109 109 THR CB C 13 70.583 0.02 . . . . . . . 109 THR CB . 28032 1 1129 . 1 . 1 109 109 THR CG2 C 13 18.872 0.00 . . . . . . . 109 THR CG2 . 28032 1 1130 . 1 . 1 109 109 THR N N 15 113.671 0.03 . . . . . . . 109 THR N . 28032 1 1131 . 1 . 1 110 110 SER H H 1 7.558 0.01 . . . . . . . 110 SER H . 28032 1 1132 . 1 . 1 110 110 SER HA H 1 4.893 0.02 . . . . . . . 110 SER HA . 28032 1 1133 . 1 . 1 110 110 SER HB2 H 1 2.456 0.01 . . . . . . . 110 SER HB2 . 28032 1 1134 . 1 . 1 110 110 SER HB3 H 1 1.322 0.01 . . . . . . . 110 SER HB3 . 28032 1 1135 . 1 . 1 110 110 SER C C 13 173.878 0.00 . . . . . . . 110 SER C . 28032 1 1136 . 1 . 1 110 110 SER CA C 13 54.996 0.03 . . . . . . . 110 SER CA . 28032 1 1137 . 1 . 1 110 110 SER CB C 13 65.364 0.09 . . . . . . . 110 SER CB . 28032 1 1138 . 1 . 1 110 110 SER N N 15 113.936 0.04 . . . . . . . 110 SER N . 28032 1 1139 . 1 . 1 111 111 VAL H H 1 9.126 0.01 . . . . . . . 111 VAL H . 28032 1 1140 . 1 . 1 111 111 VAL HA H 1 4.203 0.01 . . . . . . . 111 VAL HA . 28032 1 1141 . 1 . 1 111 111 VAL HB H 1 2.065 0.01 . . . . . . . 111 VAL HB . 28032 1 1142 . 1 . 1 111 111 VAL HG11 H 1 1.057 0.01 . . . . . . . 111 VAL HG1 . 28032 1 1143 . 1 . 1 111 111 VAL HG12 H 1 1.057 0.01 . . . . . . . 111 VAL HG1 . 28032 1 1144 . 1 . 1 111 111 VAL HG13 H 1 1.057 0.01 . . . . . . . 111 VAL HG1 . 28032 1 1145 . 1 . 1 111 111 VAL HG21 H 1 1.074 0.00 . . . . . . . 111 VAL HG2 . 28032 1 1146 . 1 . 1 111 111 VAL HG22 H 1 1.074 0.00 . . . . . . . 111 VAL HG2 . 28032 1 1147 . 1 . 1 111 111 VAL HG23 H 1 1.074 0.00 . . . . . . . 111 VAL HG2 . 28032 1 1148 . 1 . 1 111 111 VAL C C 13 174.343 0.01 . . . . . . . 111 VAL C . 28032 1 1149 . 1 . 1 111 111 VAL CA C 13 60.805 0.04 . . . . . . . 111 VAL CA . 28032 1 1150 . 1 . 1 111 111 VAL CB C 13 35.419 0.04 . . . . . . . 111 VAL CB . 28032 1 1151 . 1 . 1 111 111 VAL CG1 C 13 22.900 0.05 . . . . . . . 111 VAL CG1 . 28032 1 1152 . 1 . 1 111 111 VAL CG2 C 13 21.675 0.02 . . . . . . . 111 VAL CG2 . 28032 1 1153 . 1 . 1 111 111 VAL N N 15 120.666 0.04 . . . . . . . 111 VAL N . 28032 1 1154 . 1 . 1 112 112 LEU H H 1 8.500 0.01 . . . . . . . 112 LEU H . 28032 1 1155 . 1 . 1 112 112 LEU HA H 1 4.821 0.01 . . . . . . . 112 LEU HA . 28032 1 1156 . 1 . 1 112 112 LEU HB2 H 1 1.447 0.01 . . . . . . . 112 LEU HB . 28032 1 1157 . 1 . 1 112 112 LEU HB3 H 1 1.447 0.01 . . . . . . . 112 LEU HB . 28032 1 1158 . 1 . 1 112 112 LEU HD11 H 1 0.817 0.02 . . . . . . . 112 LEU HD1 . 28032 1 1159 . 1 . 1 112 112 LEU HD12 H 1 0.817 0.02 . . . . . . . 112 LEU HD1 . 28032 1 1160 . 1 . 1 112 112 LEU HD13 H 1 0.817 0.02 . . . . . . . 112 LEU HD1 . 28032 1 1161 . 1 . 1 112 112 LEU HD21 H 1 0.839 0.00 . . . . . . . 112 LEU HD2 . 28032 1 1162 . 1 . 1 112 112 LEU HD22 H 1 0.839 0.00 . . . . . . . 112 LEU HD2 . 28032 1 1163 . 1 . 1 112 112 LEU HD23 H 1 0.839 0.00 . . . . . . . 112 LEU HD2 . 28032 1 1164 . 1 . 1 112 112 LEU C C 13 174.510 0.06 . . . . . . . 112 LEU C . 28032 1 1165 . 1 . 1 112 112 LEU CA C 13 53.910 0.08 . . . . . . . 112 LEU CA . 28032 1 1166 . 1 . 1 112 112 LEU CB C 13 44.260 0.05 . . . . . . . 112 LEU CB . 28032 1 1167 . 1 . 1 112 112 LEU CG C 13 27.272 0.00 . . . . . . . 112 LEU CG . 28032 1 1168 . 1 . 1 112 112 LEU CD1 C 13 23.954 0.00 . . . . . . . 112 LEU CD1 . 28032 1 1169 . 1 . 1 112 112 LEU CD2 C 13 23.895 0.00 . . . . . . . 112 LEU CD2 . 28032 1 1170 . 1 . 1 112 112 LEU N N 15 126.662 0.03 . . . . . . . 112 LEU N . 28032 1 1171 . 1 . 1 113 113 LEU H H 1 8.819 0.00 . . . . . . . 113 LEU H . 28032 1 1172 . 1 . 1 113 113 LEU HA H 1 5.040 0.01 . . . . . . . 113 LEU HA . 28032 1 1173 . 1 . 1 113 113 LEU HB2 H 1 2.363 0.02 . . . . . . . 113 LEU HB2 . 28032 1 1174 . 1 . 1 113 113 LEU HB3 H 1 1.050 0.01 . . . . . . . 113 LEU HB3 . 28032 1 1175 . 1 . 1 113 113 LEU C C 13 176.197 0.01 . . . . . . . 113 LEU C . 28032 1 1176 . 1 . 1 113 113 LEU CA C 13 53.288 0.07 . . . . . . . 113 LEU CA . 28032 1 1177 . 1 . 1 113 113 LEU CB C 13 44.555 0.07 . . . . . . . 113 LEU CB . 28032 1 1178 . 1 . 1 113 113 LEU CG C 13 27.760 0.00 . . . . . . . 113 LEU CG . 28032 1 1179 . 1 . 1 113 113 LEU CD1 C 13 25.456 0.00 . . . . . . . 113 LEU CD1 . 28032 1 1180 . 1 . 1 113 113 LEU CD2 C 13 24.014 0.00 . . . . . . . 113 LEU CD2 . 28032 1 1181 . 1 . 1 113 113 LEU N N 15 126.983 0.04 . . . . . . . 113 LEU N . 28032 1 1182 . 1 . 1 114 114 GLN H H 1 9.436 0.00 . . . . . . . 114 GLN H . 28032 1 1183 . 1 . 1 114 114 GLN HA H 1 5.037 0.02 . . . . . . . 114 GLN HA . 28032 1 1184 . 1 . 1 114 114 GLN HB2 H 1 1.875 0.01 . . . . . . . 114 GLN HB . 28032 1 1185 . 1 . 1 114 114 GLN HB3 H 1 1.875 0.01 . . . . . . . 114 GLN HB . 28032 1 1186 . 1 . 1 114 114 GLN HG2 H 1 2.200 0.00 . . . . . . . 114 GLN HG . 28032 1 1187 . 1 . 1 114 114 GLN HG3 H 1 2.200 0.00 . . . . . . . 114 GLN HG . 28032 1 1188 . 1 . 1 114 114 GLN HE21 H 1 7.362 0.00 . . . . . . . 114 GLN HE21 . 28032 1 1189 . 1 . 1 114 114 GLN HE22 H 1 6.640 0.00 . . . . . . . 114 GLN HE22 . 28032 1 1190 . 1 . 1 114 114 GLN C C 13 175.019 0.00 . . . . . . . 114 GLN C . 28032 1 1191 . 1 . 1 114 114 GLN CA C 13 53.800 0.08 . . . . . . . 114 GLN CA . 28032 1 1192 . 1 . 1 114 114 GLN CB C 13 30.706 0.02 . . . . . . . 114 GLN CB . 28032 1 1193 . 1 . 1 114 114 GLN CG C 13 34.019 0.01 . . . . . . . 114 GLN CG . 28032 1 1194 . 1 . 1 114 114 GLN N N 15 129.492 0.05 . . . . . . . 114 GLN N . 28032 1 1195 . 1 . 1 114 114 GLN NE2 N 15 110.267 0.00 . . . . . . . 114 GLN NE2 . 28032 1 1196 . 1 . 1 115 115 VAL H H 1 9.199 0.00 . . . . . . . 115 VAL H . 28032 1 1197 . 1 . 1 115 115 VAL HA H 1 4.618 0.01 . . . . . . . 115 VAL HA . 28032 1 1198 . 1 . 1 115 115 VAL HB H 1 1.950 0.02 . . . . . . . 115 VAL HB . 28032 1 1199 . 1 . 1 115 115 VAL HG11 H 1 0.597 0.01 . . . . . . . 115 VAL HG1 . 28032 1 1200 . 1 . 1 115 115 VAL HG12 H 1 0.597 0.01 . . . . . . . 115 VAL HG1 . 28032 1 1201 . 1 . 1 115 115 VAL HG13 H 1 0.597 0.01 . . . . . . . 115 VAL HG1 . 28032 1 1202 . 1 . 1 115 115 VAL HG21 H 1 0.744 0.01 . . . . . . . 115 VAL HG2 . 28032 1 1203 . 1 . 1 115 115 VAL HG22 H 1 0.744 0.01 . . . . . . . 115 VAL HG2 . 28032 1 1204 . 1 . 1 115 115 VAL HG23 H 1 0.744 0.01 . . . . . . . 115 VAL HG2 . 28032 1 1205 . 1 . 1 115 115 VAL C C 13 176.475 0.00 . . . . . . . 115 VAL C . 28032 1 1206 . 1 . 1 115 115 VAL CA C 13 61.708 0.03 . . . . . . . 115 VAL CA . 28032 1 1207 . 1 . 1 115 115 VAL CB C 13 32.614 0.03 . . . . . . . 115 VAL CB . 28032 1 1208 . 1 . 1 115 115 VAL CG1 C 13 21.930 0.06 . . . . . . . 115 VAL CG1 . 28032 1 1209 . 1 . 1 115 115 VAL CG2 C 13 21.005 0.00 . . . . . . . 115 VAL CG2 . 28032 1 1210 . 1 . 1 115 115 VAL N N 15 126.292 0.05 . . . . . . . 115 VAL N . 28032 1 1211 . 1 . 1 116 116 ALA H H 1 8.678 0.01 . . . . . . . 116 ALA H . 28032 1 1212 . 1 . 1 116 116 ALA HA H 1 4.535 0.01 . . . . . . . 116 ALA HA . 28032 1 1213 . 1 . 1 116 116 ALA HB1 H 1 1.348 0.01 . . . . . . . 116 ALA HB . 28032 1 1214 . 1 . 1 116 116 ALA HB2 H 1 1.348 0.01 . . . . . . . 116 ALA HB . 28032 1 1215 . 1 . 1 116 116 ALA HB3 H 1 1.348 0.01 . . . . . . . 116 ALA HB . 28032 1 1216 . 1 . 1 116 116 ALA C C 13 176.090 0.00 . . . . . . . 116 ALA C . 28032 1 1217 . 1 . 1 116 116 ALA CA C 13 51.079 0.05 . . . . . . . 116 ALA CA . 28032 1 1218 . 1 . 1 116 116 ALA CB C 13 20.579 0.07 . . . . . . . 116 ALA CB . 28032 1 1219 . 1 . 1 116 116 ALA N N 15 132.780 0.04 . . . . . . . 116 ALA N . 28032 1 1220 . 1 . 1 117 117 ALA H H 1 7.997 0.01 . . . . . . . 117 ALA H . 28032 1 1221 . 1 . 1 117 117 ALA HA H 1 4.129 0.00 . . . . . . . 117 ALA HA . 28032 1 1222 . 1 . 1 117 117 ALA HB1 H 1 1.312 0.00 . . . . . . . 117 ALA HB . 28032 1 1223 . 1 . 1 117 117 ALA HB2 H 1 1.312 0.00 . . . . . . . 117 ALA HB . 28032 1 1224 . 1 . 1 117 117 ALA HB3 H 1 1.312 0.00 . . . . . . . 117 ALA HB . 28032 1 1225 . 1 . 1 117 117 ALA C C 13 183.269 0.00 . . . . . . . 117 ALA C . 28032 1 1226 . 1 . 1 117 117 ALA CA C 13 53.562 0.00 . . . . . . . 117 ALA CA . 28032 1 1227 . 1 . 1 117 117 ALA CB C 13 20.078 0.05 . . . . . . . 117 ALA CB . 28032 1 1228 . 1 . 1 117 117 ALA N N 15 129.769 0.02 . . . . . . . 117 ALA N . 28032 1 stop_ save_