data_11574 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11574 _Entry.Title ; SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN KIAA1526 PROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-04 _Entry.Accession_date 2014-09-04 _Entry.Last_release_date 2014-10-15 _Entry.Original_release_date 2014-10-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hua Li . . . 11574 2 Naoya Tochio . . . 11574 3 Seizo Koshiba . . . 11574 4 Makoto Inoue . . . 11574 5 Yutaka Muto . . . 11574 6 Takanori Kigawa . . . 11574 7 Shigeyuki Yokoyama . . . 11574 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11574 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 643 11574 '13C chemical shifts' 385 11574 '15N chemical shifts' 94 11574 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 . . 2014-10-15 2014-09-03 original author . 11574 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UEZ . 11574 BMRB 11575 'SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN KIAA1526 PROTEIN' 11574 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11574 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN KIAA1526 PROTEIN' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Hua Li . . . 11574 1 2 Naoya Tochio . . . 11574 1 3 Seizo Koshiba . . . 11574 1 4 Makoto Inoue . . . 11574 1 5 Yutaka Muto . . . 11574 1 6 Takanori Kigawa . . . 11574 1 7 Shigeyuki Yokoyama . . . 11574 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11574 _Assembly.ID 1 _Assembly.Name 'PDZ domain' _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 'PDZ domain' 1 $PDZ_domain A . yes native no no . . . 11574 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PDZ_domain _Entity.Sf_category entity _Entity.Sf_framecode PDZ_domain _Entity.Entry_ID 11574 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDZ_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEVRLVSLRRAKAH EGLGFSIRGGSEHGVGIYVS LVEPGSLAEKEGLRVGDQIL RVNDKSLARVTHAEAVKALK GSKKLVLSVYSAGRISGPSS G ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UEZ . "Solution Structure Of The First Pdz Domain Of Human Kiaa1526 Protein" . . . . . 100.00 101 100.00 100.00 1.51e-59 . . . . 11574 1 2 no GB ELW70617 . "Whirlin [Tupaia chinensis]" . . . . . 71.29 299 98.61 100.00 2.83e-38 . . . . 11574 1 3 no GB EPY80072 . "hypothetical protein CB1_000869010 [Camelus ferus]" . . . . . 71.29 171 98.61 98.61 2.78e-39 . . . . 11574 1 4 no REF XP_012902069 . "PREDICTED: whirlin-like isoform X2 [Mustela putorius furo]" . . . . . 70.30 208 100.00 100.00 1.45e-38 . . . . 11574 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 11574 1 2 2 SER . 11574 1 3 3 SER . 11574 1 4 4 GLY . 11574 1 5 5 SER . 11574 1 6 6 SER . 11574 1 7 7 GLY . 11574 1 8 8 GLU . 11574 1 9 9 VAL . 11574 1 10 10 ARG . 11574 1 11 11 LEU . 11574 1 12 12 VAL . 11574 1 13 13 SER . 11574 1 14 14 LEU . 11574 1 15 15 ARG . 11574 1 16 16 ARG . 11574 1 17 17 ALA . 11574 1 18 18 LYS . 11574 1 19 19 ALA . 11574 1 20 20 HIS . 11574 1 21 21 GLU . 11574 1 22 22 GLY . 11574 1 23 23 LEU . 11574 1 24 24 GLY . 11574 1 25 25 PHE . 11574 1 26 26 SER . 11574 1 27 27 ILE . 11574 1 28 28 ARG . 11574 1 29 29 GLY . 11574 1 30 30 GLY . 11574 1 31 31 SER . 11574 1 32 32 GLU . 11574 1 33 33 HIS . 11574 1 34 34 GLY . 11574 1 35 35 VAL . 11574 1 36 36 GLY . 11574 1 37 37 ILE . 11574 1 38 38 TYR . 11574 1 39 39 VAL . 11574 1 40 40 SER . 11574 1 41 41 LEU . 11574 1 42 42 VAL . 11574 1 43 43 GLU . 11574 1 44 44 PRO . 11574 1 45 45 GLY . 11574 1 46 46 SER . 11574 1 47 47 LEU . 11574 1 48 48 ALA . 11574 1 49 49 GLU . 11574 1 50 50 LYS . 11574 1 51 51 GLU . 11574 1 52 52 GLY . 11574 1 53 53 LEU . 11574 1 54 54 ARG . 11574 1 55 55 VAL . 11574 1 56 56 GLY . 11574 1 57 57 ASP . 11574 1 58 58 GLN . 11574 1 59 59 ILE . 11574 1 60 60 LEU . 11574 1 61 61 ARG . 11574 1 62 62 VAL . 11574 1 63 63 ASN . 11574 1 64 64 ASP . 11574 1 65 65 LYS . 11574 1 66 66 SER . 11574 1 67 67 LEU . 11574 1 68 68 ALA . 11574 1 69 69 ARG . 11574 1 70 70 VAL . 11574 1 71 71 THR . 11574 1 72 72 HIS . 11574 1 73 73 ALA . 11574 1 74 74 GLU . 11574 1 75 75 ALA . 11574 1 76 76 VAL . 11574 1 77 77 LYS . 11574 1 78 78 ALA . 11574 1 79 79 LEU . 11574 1 80 80 LYS . 11574 1 81 81 GLY . 11574 1 82 82 SER . 11574 1 83 83 LYS . 11574 1 84 84 LYS . 11574 1 85 85 LEU . 11574 1 86 86 VAL . 11574 1 87 87 LEU . 11574 1 88 88 SER . 11574 1 89 89 VAL . 11574 1 90 90 TYR . 11574 1 91 91 SER . 11574 1 92 92 ALA . 11574 1 93 93 GLY . 11574 1 94 94 ARG . 11574 1 95 95 ILE . 11574 1 96 96 SER . 11574 1 97 97 GLY . 11574 1 98 98 PRO . 11574 1 99 99 SER . 11574 1 100 100 SER . 11574 1 101 101 GLY . 11574 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11574 1 . SER 2 2 11574 1 . SER 3 3 11574 1 . GLY 4 4 11574 1 . SER 5 5 11574 1 . SER 6 6 11574 1 . GLY 7 7 11574 1 . GLU 8 8 11574 1 . VAL 9 9 11574 1 . ARG 10 10 11574 1 . LEU 11 11 11574 1 . VAL 12 12 11574 1 . SER 13 13 11574 1 . LEU 14 14 11574 1 . ARG 15 15 11574 1 . ARG 16 16 11574 1 . ALA 17 17 11574 1 . LYS 18 18 11574 1 . ALA 19 19 11574 1 . HIS 20 20 11574 1 . GLU 21 21 11574 1 . GLY 22 22 11574 1 . LEU 23 23 11574 1 . GLY 24 24 11574 1 . PHE 25 25 11574 1 . SER 26 26 11574 1 . ILE 27 27 11574 1 . ARG 28 28 11574 1 . GLY 29 29 11574 1 . GLY 30 30 11574 1 . SER 31 31 11574 1 . GLU 32 32 11574 1 . HIS 33 33 11574 1 . GLY 34 34 11574 1 . VAL 35 35 11574 1 . GLY 36 36 11574 1 . ILE 37 37 11574 1 . TYR 38 38 11574 1 . VAL 39 39 11574 1 . SER 40 40 11574 1 . LEU 41 41 11574 1 . VAL 42 42 11574 1 . GLU 43 43 11574 1 . PRO 44 44 11574 1 . GLY 45 45 11574 1 . SER 46 46 11574 1 . LEU 47 47 11574 1 . ALA 48 48 11574 1 . GLU 49 49 11574 1 . LYS 50 50 11574 1 . GLU 51 51 11574 1 . GLY 52 52 11574 1 . LEU 53 53 11574 1 . ARG 54 54 11574 1 . VAL 55 55 11574 1 . GLY 56 56 11574 1 . ASP 57 57 11574 1 . GLN 58 58 11574 1 . ILE 59 59 11574 1 . LEU 60 60 11574 1 . ARG 61 61 11574 1 . VAL 62 62 11574 1 . ASN 63 63 11574 1 . ASP 64 64 11574 1 . LYS 65 65 11574 1 . SER 66 66 11574 1 . LEU 67 67 11574 1 . ALA 68 68 11574 1 . ARG 69 69 11574 1 . VAL 70 70 11574 1 . THR 71 71 11574 1 . HIS 72 72 11574 1 . ALA 73 73 11574 1 . GLU 74 74 11574 1 . ALA 75 75 11574 1 . VAL 76 76 11574 1 . LYS 77 77 11574 1 . ALA 78 78 11574 1 . LEU 79 79 11574 1 . LYS 80 80 11574 1 . GLY 81 81 11574 1 . SER 82 82 11574 1 . LYS 83 83 11574 1 . LYS 84 84 11574 1 . LEU 85 85 11574 1 . VAL 86 86 11574 1 . LEU 87 87 11574 1 . SER 88 88 11574 1 . VAL 89 89 11574 1 . TYR 90 90 11574 1 . SER 91 91 11574 1 . ALA 92 92 11574 1 . GLY 93 93 11574 1 . ARG 94 94 11574 1 . ILE 95 95 11574 1 . SER 96 96 11574 1 . GLY 97 97 11574 1 . PRO 98 98 11574 1 . SER 99 99 11574 1 . SER 100 100 11574 1 . GLY 101 101 11574 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 11574 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PDZ_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11574 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 11574 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PDZ_domain . 'recombinant technology' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . P021030-45 . . . . . . 11574 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11574 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $PDZ_domain . protein 1.6 . . mM . . . . 11574 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11574 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11574 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 11574 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11574 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11574 1 7 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11574 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 11574 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 11574 1 pH 7.0 . pH 11574 1 pressure 1 . atm 11574 1 'ionic strength' 120 . mM 11574 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11574 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11574 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11574 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11574 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11574 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11574 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11574 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11574 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11574 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11574 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11574 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11574 4 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 11574 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11574 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11574 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 11574 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11574 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11574 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 11574 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.780 internal direct 1 . . . . . . . . . 11574 1 C 13 water protons . . . . ppm 4.780 internal indirect 0.251449530 . . . . . . . . . 11574 1 N 15 water protons . . . . ppm 4.780 internal indirect 0.101329118 . . . . . . . . . 11574 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 11574 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11574 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11574 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 6 6 SER HA H 1 4.535 0.030 . 1 . . . . 6 SER HA . 11574 1 2 . 1 1 6 6 SER HB2 H 1 3.935 0.030 . 1 . . . . 6 SER HB2 . 11574 1 3 . 1 1 6 6 SER HB3 H 1 3.935 0.030 . 1 . . . . 6 SER HB3 . 11574 1 4 . 1 1 6 6 SER CA C 13 58.694 0.300 . 1 . . . . 6 SER CA . 11574 1 5 . 1 1 6 6 SER CB C 13 63.825 0.300 . 1 . . . . 6 SER CB . 11574 1 6 . 1 1 7 7 GLY H H 1 8.298 0.030 . 1 . . . . 7 GLY H . 11574 1 7 . 1 1 7 7 GLY HA2 H 1 3.977 0.030 . 2 . . . . 7 GLY HA2 . 11574 1 8 . 1 1 7 7 GLY HA3 H 1 4.054 0.030 . 2 . . . . 7 GLY HA3 . 11574 1 9 . 1 1 7 7 GLY C C 13 173.233 0.300 . 1 . . . . 7 GLY C . 11574 1 10 . 1 1 7 7 GLY CA C 13 45.451 0.300 . 1 . . . . 7 GLY CA . 11574 1 11 . 1 1 7 7 GLY N N 15 110.714 0.300 . 1 . . . . 7 GLY N . 11574 1 12 . 1 1 8 8 GLU H H 1 8.132 0.030 . 1 . . . . 8 GLU H . 11574 1 13 . 1 1 8 8 GLU HA H 1 4.573 0.030 . 1 . . . . 8 GLU HA . 11574 1 14 . 1 1 8 8 GLU HB2 H 1 1.930 0.030 . 2 . . . . 8 GLU HB2 . 11574 1 15 . 1 1 8 8 GLU HB3 H 1 2.045 0.030 . 2 . . . . 8 GLU HB3 . 11574 1 16 . 1 1 8 8 GLU HG2 H 1 2.205 0.030 . 1 . . . . 8 GLU HG2 . 11574 1 17 . 1 1 8 8 GLU HG3 H 1 2.205 0.030 . 1 . . . . 8 GLU HG3 . 11574 1 18 . 1 1 8 8 GLU C C 13 175.095 0.300 . 1 . . . . 8 GLU C . 11574 1 19 . 1 1 8 8 GLU CA C 13 55.909 0.300 . 1 . . . . 8 GLU CA . 11574 1 20 . 1 1 8 8 GLU CB C 13 32.318 0.300 . 1 . . . . 8 GLU CB . 11574 1 21 . 1 1 8 8 GLU CG C 13 36.219 0.300 . 1 . . . . 8 GLU CG . 11574 1 22 . 1 1 8 8 GLU N N 15 119.452 0.300 . 1 . . . . 8 GLU N . 11574 1 23 . 1 1 9 9 VAL H H 1 8.325 0.030 . 1 . . . . 9 VAL H . 11574 1 24 . 1 1 9 9 VAL HA H 1 4.952 0.030 . 1 . . . . 9 VAL HA . 11574 1 25 . 1 1 9 9 VAL HB H 1 1.960 0.030 . 1 . . . . 9 VAL HB . 11574 1 26 . 1 1 9 9 VAL HG11 H 1 0.847 0.030 . 2 . . . . 9 VAL HG1 . 11574 1 27 . 1 1 9 9 VAL HG12 H 1 0.847 0.030 . 2 . . . . 9 VAL HG1 . 11574 1 28 . 1 1 9 9 VAL HG13 H 1 0.847 0.030 . 2 . . . . 9 VAL HG1 . 11574 1 29 . 1 1 9 9 VAL HG21 H 1 0.984 0.030 . 2 . . . . 9 VAL HG2 . 11574 1 30 . 1 1 9 9 VAL HG22 H 1 0.984 0.030 . 2 . . . . 9 VAL HG2 . 11574 1 31 . 1 1 9 9 VAL HG23 H 1 0.984 0.030 . 2 . . . . 9 VAL HG2 . 11574 1 32 . 1 1 9 9 VAL C C 13 175.834 0.300 . 1 . . . . 9 VAL C . 11574 1 33 . 1 1 9 9 VAL CA C 13 61.521 0.300 . 1 . . . . 9 VAL CA . 11574 1 34 . 1 1 9 9 VAL CB C 13 32.814 0.300 . 1 . . . . 9 VAL CB . 11574 1 35 . 1 1 9 9 VAL CG1 C 13 21.478 0.300 . 2 . . . . 9 VAL CG1 . 11574 1 36 . 1 1 9 9 VAL CG2 C 13 22.120 0.300 . 2 . . . . 9 VAL CG2 . 11574 1 37 . 1 1 9 9 VAL N N 15 122.778 0.300 . 1 . . . . 9 VAL N . 11574 1 38 . 1 1 10 10 ARG H H 1 9.251 0.030 . 1 . . . . 10 ARG H . 11574 1 39 . 1 1 10 10 ARG HA H 1 4.804 0.030 . 1 . . . . 10 ARG HA . 11574 1 40 . 1 1 10 10 ARG HB2 H 1 1.653 0.030 . 2 . . . . 10 ARG HB2 . 11574 1 41 . 1 1 10 10 ARG HB3 H 1 1.719 0.030 . 2 . . . . 10 ARG HB3 . 11574 1 42 . 1 1 10 10 ARG HD2 H 1 3.092 0.030 . 2 . . . . 10 ARG HD2 . 11574 1 43 . 1 1 10 10 ARG HD3 H 1 3.126 0.030 . 2 . . . . 10 ARG HD3 . 11574 1 44 . 1 1 10 10 ARG HG2 H 1 1.324 0.030 . 2 . . . . 10 ARG HG2 . 11574 1 45 . 1 1 10 10 ARG HG3 H 1 1.583 0.030 . 2 . . . . 10 ARG HG3 . 11574 1 46 . 1 1 10 10 ARG C C 13 173.633 0.300 . 1 . . . . 10 ARG C . 11574 1 47 . 1 1 10 10 ARG CA C 13 54.016 0.300 . 1 . . . . 10 ARG CA . 11574 1 48 . 1 1 10 10 ARG CB C 13 33.100 0.300 . 1 . . . . 10 ARG CB . 11574 1 49 . 1 1 10 10 ARG CD C 13 43.151 0.300 . 1 . . . . 10 ARG CD . 11574 1 50 . 1 1 10 10 ARG CG C 13 26.946 0.300 . 1 . . . . 10 ARG CG . 11574 1 51 . 1 1 10 10 ARG N N 15 126.807 0.300 . 1 . . . . 10 ARG N . 11574 1 52 . 1 1 11 11 LEU H H 1 8.423 0.030 . 1 . . . . 11 LEU H . 11574 1 53 . 1 1 11 11 LEU HA H 1 5.403 0.030 . 1 . . . . 11 LEU HA . 11574 1 54 . 1 1 11 11 LEU HB2 H 1 1.272 0.030 . 2 . . . . 11 LEU HB2 . 11574 1 55 . 1 1 11 11 LEU HB3 H 1 1.657 0.030 . 2 . . . . 11 LEU HB3 . 11574 1 56 . 1 1 11 11 LEU HD11 H 1 0.752 0.030 . 2 . . . . 11 LEU HD1 . 11574 1 57 . 1 1 11 11 LEU HD12 H 1 0.752 0.030 . 2 . . . . 11 LEU HD1 . 11574 1 58 . 1 1 11 11 LEU HD13 H 1 0.752 0.030 . 2 . . . . 11 LEU HD1 . 11574 1 59 . 1 1 11 11 LEU HD21 H 1 0.833 0.030 . 2 . . . . 11 LEU HD2 . 11574 1 60 . 1 1 11 11 LEU HD22 H 1 0.833 0.030 . 2 . . . . 11 LEU HD2 . 11574 1 61 . 1 1 11 11 LEU HD23 H 1 0.833 0.030 . 2 . . . . 11 LEU HD2 . 11574 1 62 . 1 1 11 11 LEU HG H 1 1.573 0.030 . 1 . . . . 11 LEU HG . 11574 1 63 . 1 1 11 11 LEU C C 13 177.497 0.300 . 1 . . . . 11 LEU C . 11574 1 64 . 1 1 11 11 LEU CA C 13 53.634 0.300 . 1 . . . . 11 LEU CA . 11574 1 65 . 1 1 11 11 LEU CB C 13 43.259 0.300 . 1 . . . . 11 LEU CB . 11574 1 66 . 1 1 11 11 LEU CD1 C 13 23.901 0.300 . 2 . . . . 11 LEU CD1 . 11574 1 67 . 1 1 11 11 LEU CD2 C 13 25.131 0.300 . 2 . . . . 11 LEU CD2 . 11574 1 68 . 1 1 11 11 LEU CG C 13 27.240 0.300 . 1 . . . . 11 LEU CG . 11574 1 69 . 1 1 11 11 LEU N N 15 121.846 0.300 . 1 . . . . 11 LEU N . 11574 1 70 . 1 1 12 12 VAL H H 1 9.158 0.030 . 1 . . . . 12 VAL H . 11574 1 71 . 1 1 12 12 VAL HA H 1 4.291 0.030 . 1 . . . . 12 VAL HA . 11574 1 72 . 1 1 12 12 VAL HB H 1 1.791 0.030 . 1 . . . . 12 VAL HB . 11574 1 73 . 1 1 12 12 VAL HG11 H 1 0.773 0.030 . 2 . . . . 12 VAL HG1 . 11574 1 74 . 1 1 12 12 VAL HG12 H 1 0.773 0.030 . 2 . . . . 12 VAL HG1 . 11574 1 75 . 1 1 12 12 VAL HG13 H 1 0.773 0.030 . 2 . . . . 12 VAL HG1 . 11574 1 76 . 1 1 12 12 VAL HG21 H 1 0.754 0.030 . 2 . . . . 12 VAL HG2 . 11574 1 77 . 1 1 12 12 VAL HG22 H 1 0.754 0.030 . 2 . . . . 12 VAL HG2 . 11574 1 78 . 1 1 12 12 VAL HG23 H 1 0.754 0.030 . 2 . . . . 12 VAL HG2 . 11574 1 79 . 1 1 12 12 VAL C C 13 174.310 0.300 . 1 . . . . 12 VAL C . 11574 1 80 . 1 1 12 12 VAL CA C 13 61.585 0.300 . 1 . . . . 12 VAL CA . 11574 1 81 . 1 1 12 12 VAL CB C 13 35.046 0.300 . 1 . . . . 12 VAL CB . 11574 1 82 . 1 1 12 12 VAL CG1 C 13 20.776 0.300 . 2 . . . . 12 VAL CG1 . 11574 1 83 . 1 1 12 12 VAL CG2 C 13 20.899 0.300 . 2 . . . . 12 VAL CG2 . 11574 1 84 . 1 1 12 12 VAL N N 15 126.063 0.300 . 1 . . . . 12 VAL N . 11574 1 85 . 1 1 13 13 SER H H 1 9.083 0.030 . 1 . . . . 13 SER H . 11574 1 86 . 1 1 13 13 SER HA H 1 5.317 0.030 . 1 . . . . 13 SER HA . 11574 1 87 . 1 1 13 13 SER HB2 H 1 3.716 0.030 . 1 . . . . 13 SER HB2 . 11574 1 88 . 1 1 13 13 SER HB3 H 1 3.716 0.030 . 1 . . . . 13 SER HB3 . 11574 1 89 . 1 1 13 13 SER C C 13 173.248 0.300 . 1 . . . . 13 SER C . 11574 1 90 . 1 1 13 13 SER CA C 13 57.135 0.300 . 1 . . . . 13 SER CA . 11574 1 91 . 1 1 13 13 SER CB C 13 63.906 0.300 . 1 . . . . 13 SER CB . 11574 1 92 . 1 1 13 13 SER N N 15 123.797 0.300 . 1 . . . . 13 SER N . 11574 1 93 . 1 1 14 14 LEU H H 1 9.012 0.030 . 1 . . . . 14 LEU H . 11574 1 94 . 1 1 14 14 LEU HA H 1 4.709 0.030 . 1 . . . . 14 LEU HA . 11574 1 95 . 1 1 14 14 LEU HB2 H 1 1.853 0.030 . 2 . . . . 14 LEU HB2 . 11574 1 96 . 1 1 14 14 LEU HB3 H 1 1.563 0.030 . 2 . . . . 14 LEU HB3 . 11574 1 97 . 1 1 14 14 LEU HD11 H 1 0.963 0.030 . 2 . . . . 14 LEU HD1 . 11574 1 98 . 1 1 14 14 LEU HD12 H 1 0.963 0.030 . 2 . . . . 14 LEU HD1 . 11574 1 99 . 1 1 14 14 LEU HD13 H 1 0.963 0.030 . 2 . . . . 14 LEU HD1 . 11574 1 100 . 1 1 14 14 LEU HD21 H 1 0.833 0.030 . 2 . . . . 14 LEU HD2 . 11574 1 101 . 1 1 14 14 LEU HD22 H 1 0.833 0.030 . 2 . . . . 14 LEU HD2 . 11574 1 102 . 1 1 14 14 LEU HD23 H 1 0.833 0.030 . 2 . . . . 14 LEU HD2 . 11574 1 103 . 1 1 14 14 LEU HG H 1 1.258 0.030 . 1 . . . . 14 LEU HG . 11574 1 104 . 1 1 14 14 LEU C C 13 175.465 0.300 . 1 . . . . 14 LEU C . 11574 1 105 . 1 1 14 14 LEU CA C 13 53.295 0.300 . 1 . . . . 14 LEU CA . 11574 1 106 . 1 1 14 14 LEU CB C 13 44.678 0.300 . 1 . . . . 14 LEU CB . 11574 1 107 . 1 1 14 14 LEU CD1 C 13 26.996 0.300 . 2 . . . . 14 LEU CD1 . 11574 1 108 . 1 1 14 14 LEU CD2 C 13 24.218 0.300 . 2 . . . . 14 LEU CD2 . 11574 1 109 . 1 1 14 14 LEU N N 15 124.219 0.300 . 1 . . . . 14 LEU N . 11574 1 110 . 1 1 15 15 ARG H H 1 7.993 0.030 . 1 . . . . 15 ARG H . 11574 1 111 . 1 1 15 15 ARG HA H 1 4.831 0.030 . 1 . . . . 15 ARG HA . 11574 1 112 . 1 1 15 15 ARG HB2 H 1 1.711 0.030 . 2 . . . . 15 ARG HB2 . 11574 1 113 . 1 1 15 15 ARG HB3 H 1 1.800 0.030 . 2 . . . . 15 ARG HB3 . 11574 1 114 . 1 1 15 15 ARG HD2 H 1 3.183 0.030 . 1 . . . . 15 ARG HD2 . 11574 1 115 . 1 1 15 15 ARG HD3 H 1 3.183 0.030 . 1 . . . . 15 ARG HD3 . 11574 1 116 . 1 1 15 15 ARG HG2 H 1 1.532 0.030 . 1 . . . . 15 ARG HG2 . 11574 1 117 . 1 1 15 15 ARG HG3 H 1 1.532 0.030 . 1 . . . . 15 ARG HG3 . 11574 1 118 . 1 1 15 15 ARG C C 13 174.710 0.300 . 1 . . . . 15 ARG C . 11574 1 119 . 1 1 15 15 ARG CA C 13 55.241 0.300 . 1 . . . . 15 ARG CA . 11574 1 120 . 1 1 15 15 ARG CB C 13 31.835 0.300 . 1 . . . . 15 ARG CB . 11574 1 121 . 1 1 15 15 ARG CD C 13 43.372 0.300 . 1 . . . . 15 ARG CD . 11574 1 122 . 1 1 15 15 ARG CG C 13 27.388 0.300 . 1 . . . . 15 ARG CG . 11574 1 123 . 1 1 15 15 ARG N N 15 122.438 0.300 . 1 . . . . 15 ARG N . 11574 1 124 . 1 1 16 16 ARG H H 1 8.423 0.030 . 1 . . . . 16 ARG H . 11574 1 125 . 1 1 16 16 ARG HA H 1 4.443 0.030 . 1 . . . . 16 ARG HA . 11574 1 126 . 1 1 16 16 ARG HB2 H 1 1.863 0.030 . 1 . . . . 16 ARG HB2 . 11574 1 127 . 1 1 16 16 ARG HB3 H 1 1.863 0.030 . 1 . . . . 16 ARG HB3 . 11574 1 128 . 1 1 16 16 ARG HD2 H 1 3.197 0.030 . 1 . . . . 16 ARG HD2 . 11574 1 129 . 1 1 16 16 ARG HD3 H 1 3.197 0.030 . 1 . . . . 16 ARG HD3 . 11574 1 130 . 1 1 16 16 ARG HG2 H 1 1.703 0.030 . 1 . . . . 16 ARG HG2 . 11574 1 131 . 1 1 16 16 ARG HG3 H 1 1.703 0.030 . 1 . . . . 16 ARG HG3 . 11574 1 132 . 1 1 16 16 ARG C C 13 175.388 0.300 . 1 . . . . 16 ARG C . 11574 1 133 . 1 1 16 16 ARG CA C 13 55.377 0.300 . 1 . . . . 16 ARG CA . 11574 1 134 . 1 1 16 16 ARG CB C 13 31.513 0.300 . 1 . . . . 16 ARG CB . 11574 1 135 . 1 1 16 16 ARG CD C 13 43.741 0.300 . 1 . . . . 16 ARG CD . 11574 1 136 . 1 1 16 16 ARG CG C 13 27.019 0.300 . 1 . . . . 16 ARG CG . 11574 1 137 . 1 1 16 16 ARG N N 15 122.622 0.300 . 1 . . . . 16 ARG N . 11574 1 138 . 1 1 17 17 ALA H H 1 8.709 0.030 . 1 . . . . 17 ALA H . 11574 1 139 . 1 1 17 17 ALA HA H 1 4.260 0.030 . 1 . . . . 17 ALA HA . 11574 1 140 . 1 1 17 17 ALA HB1 H 1 1.503 0.030 . 1 . . . . 17 ALA HB . 11574 1 141 . 1 1 17 17 ALA HB2 H 1 1.503 0.030 . 1 . . . . 17 ALA HB . 11574 1 142 . 1 1 17 17 ALA HB3 H 1 1.503 0.030 . 1 . . . . 17 ALA HB . 11574 1 143 . 1 1 17 17 ALA CA C 13 53.748 0.300 . 1 . . . . 17 ALA CA . 11574 1 144 . 1 1 17 17 ALA CB C 13 19.883 0.300 . 1 . . . . 17 ALA CB . 11574 1 145 . 1 1 17 17 ALA N N 15 124.851 0.300 . 1 . . . . 17 ALA N . 11574 1 146 . 1 1 18 18 LYS H H 1 7.845 0.030 . 1 . . . . 18 LYS H . 11574 1 147 . 1 1 18 18 LYS HA H 1 4.500 0.030 . 1 . . . . 18 LYS HA . 11574 1 148 . 1 1 18 18 LYS HB2 H 1 1.803 0.030 . 1 . . . . 18 LYS HB2 . 11574 1 149 . 1 1 18 18 LYS HB3 H 1 1.803 0.030 . 1 . . . . 18 LYS HB3 . 11574 1 150 . 1 1 18 18 LYS HG2 H 1 1.743 0.030 . 2 . . . . 18 LYS HG2 . 11574 1 151 . 1 1 18 18 LYS HG3 H 1 1.543 0.030 . 2 . . . . 18 LYS HG3 . 11574 1 152 . 1 1 18 18 LYS CA C 13 54.707 0.300 . 1 . . . . 18 LYS CA . 11574 1 153 . 1 1 18 18 LYS CB C 13 31.133 0.300 . 1 . . . . 18 LYS CB . 11574 1 154 . 1 1 18 18 LYS N N 15 115.698 0.300 . 1 . . . . 18 LYS N . 11574 1 155 . 1 1 19 19 ALA H H 1 8.758 0.030 . 1 . . . . 19 ALA H . 11574 1 156 . 1 1 19 19 ALA HA H 1 4.250 0.030 . 1 . . . . 19 ALA HA . 11574 1 157 . 1 1 19 19 ALA HB1 H 1 1.496 0.030 . 1 . . . . 19 ALA HB . 11574 1 158 . 1 1 19 19 ALA HB2 H 1 1.496 0.030 . 1 . . . . 19 ALA HB . 11574 1 159 . 1 1 19 19 ALA HB3 H 1 1.496 0.030 . 1 . . . . 19 ALA HB . 11574 1 160 . 1 1 19 19 ALA CA C 13 53.685 0.300 . 1 . . . . 19 ALA CA . 11574 1 161 . 1 1 19 19 ALA CB C 13 19.801 0.300 . 1 . . . . 19 ALA CB . 11574 1 162 . 1 1 19 19 ALA N N 15 124.339 0.300 . 1 . . . . 19 ALA N . 11574 1 163 . 1 1 20 20 HIS H H 1 7.713 0.030 . 1 . . . . 20 HIS H . 11574 1 164 . 1 1 20 20 HIS HA H 1 4.556 0.030 . 1 . . . . 20 HIS HA . 11574 1 165 . 1 1 20 20 HIS HB2 H 1 3.123 0.030 . 2 . . . . 20 HIS HB2 . 11574 1 166 . 1 1 20 20 HIS HB3 H 1 3.282 0.030 . 2 . . . . 20 HIS HB3 . 11574 1 167 . 1 1 20 20 HIS HD2 H 1 7.013 0.030 . 1 . . . . 20 HIS HD2 . 11574 1 168 . 1 1 20 20 HIS HE1 H 1 7.830 0.030 . 1 . . . . 20 HIS HE1 . 11574 1 169 . 1 1 20 20 HIS C C 13 175.526 0.300 . 1 . . . . 20 HIS C . 11574 1 170 . 1 1 20 20 HIS CA C 13 56.257 0.300 . 1 . . . . 20 HIS CA . 11574 1 171 . 1 1 20 20 HIS CB C 13 29.896 0.300 . 1 . . . . 20 HIS CB . 11574 1 172 . 1 1 20 20 HIS CD2 C 13 119.336 0.300 . 1 . . . . 20 HIS CD2 . 11574 1 173 . 1 1 20 20 HIS CE1 C 13 138.704 0.300 . 1 . . . . 20 HIS CE1 . 11574 1 174 . 1 1 20 20 HIS N N 15 114.847 0.300 . 1 . . . . 20 HIS N . 11574 1 175 . 1 1 21 21 GLU H H 1 7.343 0.030 . 1 . . . . 21 GLU H . 11574 1 176 . 1 1 21 21 GLU HA H 1 4.248 0.030 . 1 . . . . 21 GLU HA . 11574 1 177 . 1 1 21 21 GLU HB2 H 1 2.054 0.030 . 1 . . . . 21 GLU HB2 . 11574 1 178 . 1 1 21 21 GLU HB3 H 1 2.054 0.030 . 1 . . . . 21 GLU HB3 . 11574 1 179 . 1 1 21 21 GLU HG2 H 1 2.136 0.030 . 2 . . . . 21 GLU HG2 . 11574 1 180 . 1 1 21 21 GLU HG3 H 1 2.333 0.030 . 2 . . . . 21 GLU HG3 . 11574 1 181 . 1 1 21 21 GLU C C 13 176.742 0.300 . 1 . . . . 21 GLU C . 11574 1 182 . 1 1 21 21 GLU CA C 13 56.535 0.300 . 1 . . . . 21 GLU CA . 11574 1 183 . 1 1 21 21 GLU CB C 13 31.098 0.300 . 1 . . . . 21 GLU CB . 11574 1 184 . 1 1 21 21 GLU CG C 13 36.601 0.300 . 1 . . . . 21 GLU CG . 11574 1 185 . 1 1 21 21 GLU N N 15 121.352 0.300 . 1 . . . . 21 GLU N . 11574 1 186 . 1 1 22 22 GLY H H 1 8.652 0.030 . 1 . . . . 22 GLY H . 11574 1 187 . 1 1 22 22 GLY HA2 H 1 4.103 0.030 . 2 . . . . 22 GLY HA2 . 11574 1 188 . 1 1 22 22 GLY HA3 H 1 3.883 0.030 . 2 . . . . 22 GLY HA3 . 11574 1 189 . 1 1 22 22 GLY C C 13 174.402 0.300 . 1 . . . . 22 GLY C . 11574 1 190 . 1 1 22 22 GLY CA C 13 45.238 0.300 . 1 . . . . 22 GLY CA . 11574 1 191 . 1 1 22 22 GLY N N 15 110.032 0.300 . 1 . . . . 22 GLY N . 11574 1 192 . 1 1 23 23 LEU H H 1 8.524 0.030 . 1 . . . . 23 LEU H . 11574 1 193 . 1 1 23 23 LEU HA H 1 4.213 0.030 . 1 . . . . 23 LEU HA . 11574 1 194 . 1 1 23 23 LEU HB2 H 1 1.542 0.030 . 2 . . . . 23 LEU HB2 . 11574 1 195 . 1 1 23 23 LEU HB3 H 1 1.358 0.030 . 2 . . . . 23 LEU HB3 . 11574 1 196 . 1 1 23 23 LEU HD11 H 1 0.721 0.030 . 2 . . . . 23 LEU HD1 . 11574 1 197 . 1 1 23 23 LEU HD12 H 1 0.721 0.030 . 2 . . . . 23 LEU HD1 . 11574 1 198 . 1 1 23 23 LEU HD13 H 1 0.721 0.030 . 2 . . . . 23 LEU HD1 . 11574 1 199 . 1 1 23 23 LEU HD21 H 1 0.747 0.030 . 2 . . . . 23 LEU HD2 . 11574 1 200 . 1 1 23 23 LEU HD22 H 1 0.747 0.030 . 2 . . . . 23 LEU HD2 . 11574 1 201 . 1 1 23 23 LEU HD23 H 1 0.747 0.030 . 2 . . . . 23 LEU HD2 . 11574 1 202 . 1 1 23 23 LEU HG H 1 1.313 0.030 . 1 . . . . 23 LEU HG . 11574 1 203 . 1 1 23 23 LEU C C 13 178.082 0.300 . 1 . . . . 23 LEU C . 11574 1 204 . 1 1 23 23 LEU CA C 13 56.228 0.300 . 1 . . . . 23 LEU CA . 11574 1 205 . 1 1 23 23 LEU CB C 13 43.466 0.300 . 1 . . . . 23 LEU CB . 11574 1 206 . 1 1 23 23 LEU CD1 C 13 25.881 0.300 . 2 . . . . 23 LEU CD1 . 11574 1 207 . 1 1 23 23 LEU CD2 C 13 23.449 0.300 . 2 . . . . 23 LEU CD2 . 11574 1 208 . 1 1 23 23 LEU N N 15 120.644 0.300 . 1 . . . . 23 LEU N . 11574 1 209 . 1 1 24 24 GLY H H 1 8.559 0.030 . 1 . . . . 24 GLY H . 11574 1 210 . 1 1 24 24 GLY HA2 H 1 3.744 0.030 . 2 . . . . 24 GLY HA2 . 11574 1 211 . 1 1 24 24 GLY HA3 H 1 4.503 0.030 . 2 . . . . 24 GLY HA3 . 11574 1 212 . 1 1 24 24 GLY C C 13 172.109 0.300 . 1 . . . . 24 GLY C . 11574 1 213 . 1 1 24 24 GLY CA C 13 45.405 0.300 . 1 . . . . 24 GLY CA . 11574 1 214 . 1 1 24 24 GLY N N 15 104.621 0.300 . 1 . . . . 24 GLY N . 11574 1 215 . 1 1 25 25 PHE H H 1 7.135 0.030 . 1 . . . . 25 PHE H . 11574 1 216 . 1 1 25 25 PHE HA H 1 5.332 0.030 . 1 . . . . 25 PHE HA . 11574 1 217 . 1 1 25 25 PHE HB2 H 1 3.482 0.030 . 2 . . . . 25 PHE HB2 . 11574 1 218 . 1 1 25 25 PHE HB3 H 1 2.953 0.030 . 2 . . . . 25 PHE HB3 . 11574 1 219 . 1 1 25 25 PHE HD1 H 1 6.933 0.030 . 1 . . . . 25 PHE HD1 . 11574 1 220 . 1 1 25 25 PHE HD2 H 1 6.933 0.030 . 1 . . . . 25 PHE HD2 . 11574 1 221 . 1 1 25 25 PHE HE1 H 1 6.933 0.030 . 1 . . . . 25 PHE HE1 . 11574 1 222 . 1 1 25 25 PHE HE2 H 1 6.933 0.030 . 1 . . . . 25 PHE HE2 . 11574 1 223 . 1 1 25 25 PHE HZ H 1 6.933 0.030 . 1 . . . . 25 PHE HZ . 11574 1 224 . 1 1 25 25 PHE C C 13 173.094 0.300 . 1 . . . . 25 PHE C . 11574 1 225 . 1 1 25 25 PHE CA C 13 55.335 0.300 . 1 . . . . 25 PHE CA . 11574 1 226 . 1 1 25 25 PHE CB C 13 41.116 0.300 . 1 . . . . 25 PHE CB . 11574 1 227 . 1 1 25 25 PHE CD1 C 13 132.652 0.300 . 1 . . . . 25 PHE CD1 . 11574 1 228 . 1 1 25 25 PHE CD2 C 13 132.652 0.300 . 1 . . . . 25 PHE CD2 . 11574 1 229 . 1 1 25 25 PHE CE1 C 13 130.477 0.300 . 1 . . . . 25 PHE CE1 . 11574 1 230 . 1 1 25 25 PHE CE2 C 13 130.477 0.300 . 1 . . . . 25 PHE CE2 . 11574 1 231 . 1 1 25 25 PHE CZ C 13 128.583 0.300 . 1 . . . . 25 PHE CZ . 11574 1 232 . 1 1 25 25 PHE N N 15 111.963 0.300 . 1 . . . . 25 PHE N . 11574 1 233 . 1 1 26 26 SER H H 1 8.632 0.030 . 1 . . . . 26 SER H . 11574 1 234 . 1 1 26 26 SER HA H 1 4.887 0.030 . 1 . . . . 26 SER HA . 11574 1 235 . 1 1 26 26 SER HB2 H 1 3.944 0.030 . 2 . . . . 26 SER HB2 . 11574 1 236 . 1 1 26 26 SER HB3 H 1 3.694 0.030 . 2 . . . . 26 SER HB3 . 11574 1 237 . 1 1 26 26 SER C C 13 173.787 0.300 . 1 . . . . 26 SER C . 11574 1 238 . 1 1 26 26 SER CA C 13 56.615 0.300 . 1 . . . . 26 SER CA . 11574 1 239 . 1 1 26 26 SER CB C 13 65.993 0.300 . 1 . . . . 26 SER CB . 11574 1 240 . 1 1 26 26 SER N N 15 115.071 0.300 . 1 . . . . 26 SER N . 11574 1 241 . 1 1 27 27 ILE H H 1 8.602 0.030 . 1 . . . . 27 ILE H . 11574 1 242 . 1 1 27 27 ILE HA H 1 5.733 0.030 . 1 . . . . 27 ILE HA . 11574 1 243 . 1 1 27 27 ILE HB H 1 1.879 0.030 . 1 . . . . 27 ILE HB . 11574 1 244 . 1 1 27 27 ILE HD11 H 1 0.493 0.030 . 1 . . . . 27 ILE HD1 . 11574 1 245 . 1 1 27 27 ILE HD12 H 1 0.493 0.030 . 1 . . . . 27 ILE HD1 . 11574 1 246 . 1 1 27 27 ILE HD13 H 1 0.493 0.030 . 1 . . . . 27 ILE HD1 . 11574 1 247 . 1 1 27 27 ILE HG12 H 1 1.414 0.030 . 2 . . . . 27 ILE HG12 . 11574 1 248 . 1 1 27 27 ILE HG13 H 1 0.904 0.030 . 2 . . . . 27 ILE HG13 . 11574 1 249 . 1 1 27 27 ILE HG21 H 1 0.870 0.030 . 1 . . . . 27 ILE HG2 . 11574 1 250 . 1 1 27 27 ILE HG22 H 1 0.870 0.030 . 1 . . . . 27 ILE HG2 . 11574 1 251 . 1 1 27 27 ILE HG23 H 1 0.870 0.030 . 1 . . . . 27 ILE HG2 . 11574 1 252 . 1 1 27 27 ILE C C 13 175.572 0.300 . 1 . . . . 27 ILE C . 11574 1 253 . 1 1 27 27 ILE CA C 13 58.970 0.300 . 1 . . . . 27 ILE CA . 11574 1 254 . 1 1 27 27 ILE CB C 13 43.475 0.300 . 1 . . . . 27 ILE CB . 11574 1 255 . 1 1 27 27 ILE CD1 C 13 15.323 0.300 . 1 . . . . 27 ILE CD1 . 11574 1 256 . 1 1 27 27 ILE CG1 C 13 25.296 0.300 . 1 . . . . 27 ILE CG1 . 11574 1 257 . 1 1 27 27 ILE CG2 C 13 19.669 0.300 . 1 . . . . 27 ILE CG2 . 11574 1 258 . 1 1 27 27 ILE N N 15 114.562 0.300 . 1 . . . . 27 ILE N . 11574 1 259 . 1 1 28 28 ARG H H 1 9.527 0.030 . 1 . . . . 28 ARG H . 11574 1 260 . 1 1 28 28 ARG HA H 1 4.959 0.030 . 1 . . . . 28 ARG HA . 11574 1 261 . 1 1 28 28 ARG HB2 H 1 1.811 0.030 . 1 . . . . 28 ARG HB2 . 11574 1 262 . 1 1 28 28 ARG HB3 H 1 1.811 0.030 . 1 . . . . 28 ARG HB3 . 11574 1 263 . 1 1 28 28 ARG HD2 H 1 3.098 0.030 . 1 . . . . 28 ARG HD2 . 11574 1 264 . 1 1 28 28 ARG HD3 H 1 3.098 0.030 . 1 . . . . 28 ARG HD3 . 11574 1 265 . 1 1 28 28 ARG HG2 H 1 1.583 0.030 . 2 . . . . 28 ARG HG2 . 11574 1 266 . 1 1 28 28 ARG HG3 H 1 1.533 0.030 . 2 . . . . 28 ARG HG3 . 11574 1 267 . 1 1 28 28 ARG C C 13 173.956 0.300 . 1 . . . . 28 ARG C . 11574 1 268 . 1 1 28 28 ARG CA C 13 54.023 0.300 . 1 . . . . 28 ARG CA . 11574 1 269 . 1 1 28 28 ARG CB C 13 33.973 0.300 . 1 . . . . 28 ARG CB . 11574 1 270 . 1 1 28 28 ARG CD C 13 43.225 0.300 . 1 . . . . 28 ARG CD . 11574 1 271 . 1 1 28 28 ARG CG C 13 26.803 0.300 . 1 . . . . 28 ARG CG . 11574 1 272 . 1 1 28 28 ARG N N 15 119.390 0.300 . 1 . . . . 28 ARG N . 11574 1 273 . 1 1 29 29 GLY H H 1 8.631 0.030 . 1 . . . . 29 GLY H . 11574 1 274 . 1 1 29 29 GLY HA2 H 1 5.533 0.030 . 2 . . . . 29 GLY HA2 . 11574 1 275 . 1 1 29 29 GLY HA3 H 1 3.701 0.030 . 2 . . . . 29 GLY HA3 . 11574 1 276 . 1 1 29 29 GLY C C 13 174.018 0.300 . 1 . . . . 29 GLY C . 11574 1 277 . 1 1 29 29 GLY CA C 13 44.209 0.300 . 1 . . . . 29 GLY CA . 11574 1 278 . 1 1 29 29 GLY N N 15 107.989 0.300 . 1 . . . . 29 GLY N . 11574 1 279 . 1 1 30 30 GLY H H 1 7.620 0.030 . 1 . . . . 30 GLY H . 11574 1 280 . 1 1 30 30 GLY HA2 H 1 4.966 0.030 . 2 . . . . 30 GLY HA2 . 11574 1 281 . 1 1 30 30 GLY HA3 H 1 3.843 0.030 . 2 . . . . 30 GLY HA3 . 11574 1 282 . 1 1 30 30 GLY C C 13 176.589 0.300 . 1 . . . . 30 GLY C . 11574 1 283 . 1 1 30 30 GLY CA C 13 44.048 0.300 . 1 . . . . 30 GLY CA . 11574 1 284 . 1 1 30 30 GLY N N 15 108.396 0.300 . 1 . . . . 30 GLY N . 11574 1 285 . 1 1 31 31 SER H H 1 9.057 0.030 . 1 . . . . 31 SER H . 11574 1 286 . 1 1 31 31 SER HA H 1 4.103 0.030 . 1 . . . . 31 SER HA . 11574 1 287 . 1 1 31 31 SER HB2 H 1 3.907 0.030 . 2 . . . . 31 SER HB2 . 11574 1 288 . 1 1 31 31 SER HB3 H 1 3.585 0.030 . 2 . . . . 31 SER HB3 . 11574 1 289 . 1 1 31 31 SER CA C 13 61.597 0.300 . 1 . . . . 31 SER CA . 11574 1 290 . 1 1 31 31 SER CB C 13 62.807 0.300 . 1 . . . . 31 SER CB . 11574 1 291 . 1 1 31 31 SER N N 15 118.709 0.300 . 1 . . . . 31 SER N . 11574 1 292 . 1 1 32 32 GLU H H 1 11.051 0.030 . 1 . . . . 32 GLU H . 11574 1 293 . 1 1 32 32 GLU HA H 1 4.288 0.030 . 1 . . . . 32 GLU HA . 11574 1 294 . 1 1 32 32 GLU HB2 H 1 1.903 0.030 . 1 . . . . 32 GLU HB2 . 11574 1 295 . 1 1 32 32 GLU HB3 H 1 1.903 0.030 . 1 . . . . 32 GLU HB3 . 11574 1 296 . 1 1 32 32 GLU HG2 H 1 2.141 0.030 . 2 . . . . 32 GLU HG2 . 11574 1 297 . 1 1 32 32 GLU HG3 H 1 1.533 0.030 . 2 . . . . 32 GLU HG3 . 11574 1 298 . 1 1 32 32 GLU C C 13 176.927 0.300 . 1 . . . . 32 GLU C . 11574 1 299 . 1 1 32 32 GLU CA C 13 59.061 0.300 . 1 . . . . 32 GLU CA . 11574 1 300 . 1 1 32 32 GLU CB C 13 27.602 0.300 . 1 . . . . 32 GLU CB . 11574 1 301 . 1 1 32 32 GLU CG C 13 35.307 0.300 . 1 . . . . 32 GLU CG . 11574 1 302 . 1 1 32 32 GLU N N 15 127.966 0.300 . 1 . . . . 32 GLU N . 11574 1 303 . 1 1 33 33 HIS H H 1 8.272 0.030 . 1 . . . . 33 HIS H . 11574 1 304 . 1 1 33 33 HIS HA H 1 4.947 0.030 . 1 . . . . 33 HIS HA . 11574 1 305 . 1 1 33 33 HIS HB2 H 1 3.513 0.030 . 2 . . . . 33 HIS HB2 . 11574 1 306 . 1 1 33 33 HIS HB3 H 1 3.050 0.030 . 2 . . . . 33 HIS HB3 . 11574 1 307 . 1 1 33 33 HIS HD2 H 1 6.924 0.030 . 1 . . . . 33 HIS HD2 . 11574 1 308 . 1 1 33 33 HIS HE1 H 1 7.912 0.030 . 1 . . . . 33 HIS HE1 . 11574 1 309 . 1 1 33 33 HIS C C 13 176.004 0.300 . 1 . . . . 33 HIS C . 11574 1 310 . 1 1 33 33 HIS CA C 13 55.271 0.300 . 1 . . . . 33 HIS CA . 11574 1 311 . 1 1 33 33 HIS CB C 13 31.593 0.300 . 1 . . . . 33 HIS CB . 11574 1 312 . 1 1 33 33 HIS CD2 C 13 119.792 0.300 . 1 . . . . 33 HIS CD2 . 11574 1 313 . 1 1 33 33 HIS CE1 C 13 139.064 0.300 . 1 . . . . 33 HIS CE1 . 11574 1 314 . 1 1 33 33 HIS N N 15 118.968 0.300 . 1 . . . . 33 HIS N . 11574 1 315 . 1 1 34 34 GLY H H 1 8.031 0.030 . 1 . . . . 34 GLY H . 11574 1 316 . 1 1 34 34 GLY HA2 H 1 4.173 0.030 . 2 . . . . 34 GLY HA2 . 11574 1 317 . 1 1 34 34 GLY HA3 H 1 3.953 0.030 . 2 . . . . 34 GLY HA3 . 11574 1 318 . 1 1 34 34 GLY C C 13 173.971 0.300 . 1 . . . . 34 GLY C . 11574 1 319 . 1 1 34 34 GLY CA C 13 46.099 0.300 . 1 . . . . 34 GLY CA . 11574 1 320 . 1 1 34 34 GLY N N 15 107.992 0.300 . 1 . . . . 34 GLY N . 11574 1 321 . 1 1 35 35 VAL H H 1 7.409 0.030 . 1 . . . . 35 VAL H . 11574 1 322 . 1 1 35 35 VAL HA H 1 4.883 0.030 . 1 . . . . 35 VAL HA . 11574 1 323 . 1 1 35 35 VAL HB H 1 2.501 0.030 . 1 . . . . 35 VAL HB . 11574 1 324 . 1 1 35 35 VAL HG11 H 1 1.103 0.030 . 2 . . . . 35 VAL HG1 . 11574 1 325 . 1 1 35 35 VAL HG12 H 1 1.103 0.030 . 2 . . . . 35 VAL HG1 . 11574 1 326 . 1 1 35 35 VAL HG13 H 1 1.103 0.030 . 2 . . . . 35 VAL HG1 . 11574 1 327 . 1 1 35 35 VAL HG21 H 1 1.193 0.030 . 2 . . . . 35 VAL HG2 . 11574 1 328 . 1 1 35 35 VAL HG22 H 1 1.193 0.030 . 2 . . . . 35 VAL HG2 . 11574 1 329 . 1 1 35 35 VAL HG23 H 1 1.193 0.030 . 2 . . . . 35 VAL HG2 . 11574 1 330 . 1 1 35 35 VAL C C 13 176.188 0.300 . 1 . . . . 35 VAL C . 11574 1 331 . 1 1 35 35 VAL CA C 13 59.799 0.300 . 1 . . . . 35 VAL CA . 11574 1 332 . 1 1 35 35 VAL CB C 13 36.924 0.300 . 1 . . . . 35 VAL CB . 11574 1 333 . 1 1 35 35 VAL CG1 C 13 21.891 0.300 . 2 . . . . 35 VAL CG1 . 11574 1 334 . 1 1 35 35 VAL CG2 C 13 18.771 0.300 . 2 . . . . 35 VAL CG2 . 11574 1 335 . 1 1 35 35 VAL N N 15 112.080 0.300 . 1 . . . . 35 VAL N . 11574 1 336 . 1 1 36 36 GLY H H 1 8.484 0.030 . 1 . . . . 36 GLY H . 11574 1 337 . 1 1 36 36 GLY HA2 H 1 4.381 0.030 . 2 . . . . 36 GLY HA2 . 11574 1 338 . 1 1 36 36 GLY HA3 H 1 3.483 0.030 . 2 . . . . 36 GLY HA3 . 11574 1 339 . 1 1 36 36 GLY C C 13 170.769 0.300 . 1 . . . . 36 GLY C . 11574 1 340 . 1 1 36 36 GLY CA C 13 44.036 0.300 . 1 . . . . 36 GLY CA . 11574 1 341 . 1 1 36 36 GLY N N 15 107.859 0.300 . 1 . . . . 36 GLY N . 11574 1 342 . 1 1 37 37 ILE H H 1 8.334 0.030 . 1 . . . . 37 ILE H . 11574 1 343 . 1 1 37 37 ILE HA H 1 4.743 0.030 . 1 . . . . 37 ILE HA . 11574 1 344 . 1 1 37 37 ILE HB H 1 2.234 0.030 . 1 . . . . 37 ILE HB . 11574 1 345 . 1 1 37 37 ILE HD11 H 1 0.573 0.030 . 1 . . . . 37 ILE HD1 . 11574 1 346 . 1 1 37 37 ILE HD12 H 1 0.573 0.030 . 1 . . . . 37 ILE HD1 . 11574 1 347 . 1 1 37 37 ILE HD13 H 1 0.573 0.030 . 1 . . . . 37 ILE HD1 . 11574 1 348 . 1 1 37 37 ILE HG12 H 1 1.873 0.030 . 2 . . . . 37 ILE HG12 . 11574 1 349 . 1 1 37 37 ILE HG13 H 1 1.152 0.030 . 2 . . . . 37 ILE HG13 . 11574 1 350 . 1 1 37 37 ILE HG21 H 1 0.771 0.030 . 1 . . . . 37 ILE HG2 . 11574 1 351 . 1 1 37 37 ILE HG22 H 1 0.771 0.030 . 1 . . . . 37 ILE HG2 . 11574 1 352 . 1 1 37 37 ILE HG23 H 1 0.771 0.030 . 1 . . . . 37 ILE HG2 . 11574 1 353 . 1 1 37 37 ILE C C 13 175.064 0.300 . 1 . . . . 37 ILE C . 11574 1 354 . 1 1 37 37 ILE CA C 13 57.312 0.300 . 1 . . . . 37 ILE CA . 11574 1 355 . 1 1 37 37 ILE CB C 13 35.712 0.300 . 1 . . . . 37 ILE CB . 11574 1 356 . 1 1 37 37 ILE CD1 C 13 8.414 0.300 . 1 . . . . 37 ILE CD1 . 11574 1 357 . 1 1 37 37 ILE CG1 C 13 26.193 0.300 . 1 . . . . 37 ILE CG1 . 11574 1 358 . 1 1 37 37 ILE CG2 C 13 18.524 0.300 . 1 . . . . 37 ILE CG2 . 11574 1 359 . 1 1 37 37 ILE N N 15 118.171 0.300 . 1 . . . . 37 ILE N . 11574 1 360 . 1 1 38 38 TYR H H 1 8.860 0.030 . 1 . . . . 38 TYR H . 11574 1 361 . 1 1 38 38 TYR HA H 1 5.581 0.030 . 1 . . . . 38 TYR HA . 11574 1 362 . 1 1 38 38 TYR HB2 H 1 2.693 0.030 . 2 . . . . 38 TYR HB2 . 11574 1 363 . 1 1 38 38 TYR HB3 H 1 2.504 0.030 . 2 . . . . 38 TYR HB3 . 11574 1 364 . 1 1 38 38 TYR HD1 H 1 6.992 0.030 . 1 . . . . 38 TYR HD1 . 11574 1 365 . 1 1 38 38 TYR HD2 H 1 6.992 0.030 . 1 . . . . 38 TYR HD2 . 11574 1 366 . 1 1 38 38 TYR HE1 H 1 6.743 0.030 . 1 . . . . 38 TYR HE1 . 11574 1 367 . 1 1 38 38 TYR HE2 H 1 6.743 0.030 . 1 . . . . 38 TYR HE2 . 11574 1 368 . 1 1 38 38 TYR C C 13 175.865 0.300 . 1 . . . . 38 TYR C . 11574 1 369 . 1 1 38 38 TYR CA C 13 55.444 0.300 . 1 . . . . 38 TYR CA . 11574 1 370 . 1 1 38 38 TYR CB C 13 42.612 0.300 . 1 . . . . 38 TYR CB . 11574 1 371 . 1 1 38 38 TYR CD1 C 13 133.706 0.300 . 1 . . . . 38 TYR CD1 . 11574 1 372 . 1 1 38 38 TYR CD2 C 13 133.706 0.300 . 1 . . . . 38 TYR CD2 . 11574 1 373 . 1 1 38 38 TYR CE1 C 13 117.270 0.300 . 1 . . . . 38 TYR CE1 . 11574 1 374 . 1 1 38 38 TYR CE2 C 13 117.270 0.300 . 1 . . . . 38 TYR CE2 . 11574 1 375 . 1 1 38 38 TYR N N 15 123.935 0.300 . 1 . . . . 38 TYR N . 11574 1 376 . 1 1 39 39 VAL H H 1 9.229 0.030 . 1 . . . . 39 VAL H . 11574 1 377 . 1 1 39 39 VAL HA H 1 4.411 0.030 . 1 . . . . 39 VAL HA . 11574 1 378 . 1 1 39 39 VAL HB H 1 2.393 0.030 . 1 . . . . 39 VAL HB . 11574 1 379 . 1 1 39 39 VAL HG11 H 1 0.874 0.030 . 2 . . . . 39 VAL HG1 . 11574 1 380 . 1 1 39 39 VAL HG12 H 1 0.874 0.030 . 2 . . . . 39 VAL HG1 . 11574 1 381 . 1 1 39 39 VAL HG13 H 1 0.874 0.030 . 2 . . . . 39 VAL HG1 . 11574 1 382 . 1 1 39 39 VAL HG21 H 1 0.853 0.030 . 2 . . . . 39 VAL HG2 . 11574 1 383 . 1 1 39 39 VAL HG22 H 1 0.853 0.030 . 2 . . . . 39 VAL HG2 . 11574 1 384 . 1 1 39 39 VAL HG23 H 1 0.853 0.030 . 2 . . . . 39 VAL HG2 . 11574 1 385 . 1 1 39 39 VAL C C 13 177.235 0.300 . 1 . . . . 39 VAL C . 11574 1 386 . 1 1 39 39 VAL CA C 13 63.410 0.300 . 1 . . . . 39 VAL CA . 11574 1 387 . 1 1 39 39 VAL CB C 13 31.848 0.300 . 1 . . . . 39 VAL CB . 11574 1 388 . 1 1 39 39 VAL CG1 C 13 23.253 0.300 . 2 . . . . 39 VAL CG1 . 11574 1 389 . 1 1 39 39 VAL CG2 C 13 22.066 0.300 . 2 . . . . 39 VAL CG2 . 11574 1 390 . 1 1 39 39 VAL N N 15 121.705 0.300 . 1 . . . . 39 VAL N . 11574 1 391 . 1 1 40 40 SER H H 1 9.587 0.030 . 1 . . . . 40 SER H . 11574 1 392 . 1 1 40 40 SER HA H 1 4.631 0.030 . 1 . . . . 40 SER HA . 11574 1 393 . 1 1 40 40 SER HB2 H 1 4.013 0.030 . 2 . . . . 40 SER HB2 . 11574 1 394 . 1 1 40 40 SER HB3 H 1 3.403 0.030 . 2 . . . . 40 SER HB3 . 11574 1 395 . 1 1 40 40 SER C C 13 173.848 0.300 . 1 . . . . 40 SER C . 11574 1 396 . 1 1 40 40 SER CA C 13 58.494 0.300 . 1 . . . . 40 SER CA . 11574 1 397 . 1 1 40 40 SER CB C 13 64.783 0.300 . 1 . . . . 40 SER CB . 11574 1 398 . 1 1 40 40 SER N N 15 126.555 0.300 . 1 . . . . 40 SER N . 11574 1 399 . 1 1 41 41 LEU H H 1 7.268 0.030 . 1 . . . . 41 LEU H . 11574 1 400 . 1 1 41 41 LEU HA H 1 4.393 0.030 . 1 . . . . 41 LEU HA . 11574 1 401 . 1 1 41 41 LEU HB2 H 1 1.733 0.030 . 2 . . . . 41 LEU HB2 . 11574 1 402 . 1 1 41 41 LEU HB3 H 1 1.464 0.030 . 2 . . . . 41 LEU HB3 . 11574 1 403 . 1 1 41 41 LEU HD11 H 1 0.923 0.030 . 2 . . . . 41 LEU HD1 . 11574 1 404 . 1 1 41 41 LEU HD12 H 1 0.923 0.030 . 2 . . . . 41 LEU HD1 . 11574 1 405 . 1 1 41 41 LEU HD13 H 1 0.923 0.030 . 2 . . . . 41 LEU HD1 . 11574 1 406 . 1 1 41 41 LEU HD21 H 1 0.833 0.030 . 2 . . . . 41 LEU HD2 . 11574 1 407 . 1 1 41 41 LEU HD22 H 1 0.833 0.030 . 2 . . . . 41 LEU HD2 . 11574 1 408 . 1 1 41 41 LEU HD23 H 1 0.833 0.030 . 2 . . . . 41 LEU HD2 . 11574 1 409 . 1 1 41 41 LEU HG H 1 1.531 0.030 . 1 . . . . 41 LEU HG . 11574 1 410 . 1 1 41 41 LEU C C 13 174.787 0.300 . 1 . . . . 41 LEU C . 11574 1 411 . 1 1 41 41 LEU CA C 13 56.346 0.300 . 1 . . . . 41 LEU CA . 11574 1 412 . 1 1 41 41 LEU CB C 13 45.913 0.300 . 1 . . . . 41 LEU CB . 11574 1 413 . 1 1 41 41 LEU CD1 C 13 25.104 0.300 . 2 . . . . 41 LEU CD1 . 11574 1 414 . 1 1 41 41 LEU CD2 C 13 24.957 0.300 . 2 . . . . 41 LEU CD2 . 11574 1 415 . 1 1 41 41 LEU CG C 13 27.167 0.300 . 1 . . . . 41 LEU CG . 11574 1 416 . 1 1 41 41 LEU N N 15 124.290 0.300 . 1 . . . . 41 LEU N . 11574 1 417 . 1 1 42 42 VAL H H 1 8.476 0.030 . 1 . . . . 42 VAL H . 11574 1 418 . 1 1 42 42 VAL HA H 1 4.443 0.030 . 1 . . . . 42 VAL HA . 11574 1 419 . 1 1 42 42 VAL HB H 1 1.874 0.030 . 1 . . . . 42 VAL HB . 11574 1 420 . 1 1 42 42 VAL HG11 H 1 0.668 0.030 . 2 . . . . 42 VAL HG1 . 11574 1 421 . 1 1 42 42 VAL HG12 H 1 0.668 0.030 . 2 . . . . 42 VAL HG1 . 11574 1 422 . 1 1 42 42 VAL HG13 H 1 0.668 0.030 . 2 . . . . 42 VAL HG1 . 11574 1 423 . 1 1 42 42 VAL HG21 H 1 0.803 0.030 . 2 . . . . 42 VAL HG2 . 11574 1 424 . 1 1 42 42 VAL HG22 H 1 0.803 0.030 . 2 . . . . 42 VAL HG2 . 11574 1 425 . 1 1 42 42 VAL HG23 H 1 0.803 0.030 . 2 . . . . 42 VAL HG2 . 11574 1 426 . 1 1 42 42 VAL C C 13 175.465 0.300 . 1 . . . . 42 VAL C . 11574 1 427 . 1 1 42 42 VAL CA C 13 62.245 0.300 . 1 . . . . 42 VAL CA . 11574 1 428 . 1 1 42 42 VAL CB C 13 34.411 0.300 . 1 . . . . 42 VAL CB . 11574 1 429 . 1 1 42 42 VAL CG1 C 13 22.142 0.300 . 2 . . . . 42 VAL CG1 . 11574 1 430 . 1 1 42 42 VAL CG2 C 13 21.030 0.300 . 2 . . . . 42 VAL CG2 . 11574 1 431 . 1 1 42 42 VAL N N 15 124.266 0.300 . 1 . . . . 42 VAL N . 11574 1 432 . 1 1 43 43 GLU H H 1 9.104 0.030 . 1 . . . . 43 GLU H . 11574 1 433 . 1 1 43 43 GLU HA H 1 4.443 0.030 . 1 . . . . 43 GLU HA . 11574 1 434 . 1 1 43 43 GLU HB2 H 1 2.003 0.030 . 2 . . . . 43 GLU HB2 . 11574 1 435 . 1 1 43 43 GLU HB3 H 1 1.913 0.030 . 2 . . . . 43 GLU HB3 . 11574 1 436 . 1 1 43 43 GLU HG2 H 1 2.203 0.030 . 1 . . . . 43 GLU HG2 . 11574 1 437 . 1 1 43 43 GLU HG3 H 1 2.203 0.030 . 1 . . . . 43 GLU HG3 . 11574 1 438 . 1 1 43 43 GLU C C 13 175.141 0.300 . 1 . . . . 43 GLU C . 11574 1 439 . 1 1 43 43 GLU CA C 13 54.728 0.300 . 1 . . . . 43 GLU CA . 11574 1 440 . 1 1 43 43 GLU CB C 13 29.426 0.300 . 1 . . . . 43 GLU CB . 11574 1 441 . 1 1 43 43 GLU CG C 13 35.853 0.300 . 1 . . . . 43 GLU CG . 11574 1 442 . 1 1 43 43 GLU N N 15 129.848 0.300 . 1 . . . . 43 GLU N . 11574 1 443 . 1 1 44 44 PRO HA H 1 4.591 0.030 . 1 . . . . 44 PRO HA . 11574 1 444 . 1 1 44 44 PRO HB2 H 1 2.401 0.030 . 2 . . . . 44 PRO HB2 . 11574 1 445 . 1 1 44 44 PRO HB3 H 1 1.974 0.030 . 2 . . . . 44 PRO HB3 . 11574 1 446 . 1 1 44 44 PRO HD2 H 1 4.103 0.030 . 2 . . . . 44 PRO HD2 . 11574 1 447 . 1 1 44 44 PRO HD3 H 1 3.773 0.030 . 2 . . . . 44 PRO HD3 . 11574 1 448 . 1 1 44 44 PRO HG2 H 1 2.198 0.030 . 2 . . . . 44 PRO HG2 . 11574 1 449 . 1 1 44 44 PRO HG3 H 1 2.088 0.030 . 2 . . . . 44 PRO HG3 . 11574 1 450 . 1 1 44 44 PRO CA C 13 63.465 0.300 . 1 . . . . 44 PRO CA . 11574 1 451 . 1 1 44 44 PRO CB C 13 31.845 0.300 . 1 . . . . 44 PRO CB . 11574 1 452 . 1 1 44 44 PRO CD C 13 51.307 0.300 . 1 . . . . 44 PRO CD . 11574 1 453 . 1 1 44 44 PRO CG C 13 27.774 0.300 . 1 . . . . 44 PRO CG . 11574 1 454 . 1 1 45 45 GLY H H 1 9.490 0.030 . 1 . . . . 45 GLY H . 11574 1 455 . 1 1 45 45 GLY HA2 H 1 4.163 0.030 . 2 . . . . 45 GLY HA2 . 11574 1 456 . 1 1 45 45 GLY HA3 H 1 3.762 0.030 . 2 . . . . 45 GLY HA3 . 11574 1 457 . 1 1 45 45 GLY C C 13 173.941 0.300 . 1 . . . . 45 GLY C . 11574 1 458 . 1 1 45 45 GLY CA C 13 45.711 0.300 . 1 . . . . 45 GLY CA . 11574 1 459 . 1 1 45 45 GLY N N 15 113.706 0.300 . 1 . . . . 45 GLY N . 11574 1 460 . 1 1 46 46 SER H H 1 7.625 0.030 . 1 . . . . 46 SER H . 11574 1 461 . 1 1 46 46 SER HA H 1 4.433 0.030 . 1 . . . . 46 SER HA . 11574 1 462 . 1 1 46 46 SER HB2 H 1 4.093 0.030 . 2 . . . . 46 SER HB2 . 11574 1 463 . 1 1 46 46 SER HB3 H 1 4.603 0.030 . 2 . . . . 46 SER HB3 . 11574 1 464 . 1 1 46 46 SER C C 13 175.203 0.300 . 1 . . . . 46 SER C . 11574 1 465 . 1 1 46 46 SER CA C 13 57.872 0.300 . 1 . . . . 46 SER CA . 11574 1 466 . 1 1 46 46 SER CB C 13 66.658 0.300 . 1 . . . . 46 SER CB . 11574 1 467 . 1 1 46 46 SER N N 15 114.110 0.300 . 1 . . . . 46 SER N . 11574 1 468 . 1 1 47 47 LEU H H 1 8.932 0.030 . 1 . . . . 47 LEU H . 11574 1 469 . 1 1 47 47 LEU HA H 1 4.208 0.030 . 1 . . . . 47 LEU HA . 11574 1 470 . 1 1 47 47 LEU HB2 H 1 1.843 0.030 . 1 . . . . 47 LEU HB2 . 11574 1 471 . 1 1 47 47 LEU HB3 H 1 1.843 0.030 . 1 . . . . 47 LEU HB3 . 11574 1 472 . 1 1 47 47 LEU HD11 H 1 1.123 0.030 . 2 . . . . 47 LEU HD1 . 11574 1 473 . 1 1 47 47 LEU HD12 H 1 1.123 0.030 . 2 . . . . 47 LEU HD1 . 11574 1 474 . 1 1 47 47 LEU HD13 H 1 1.123 0.030 . 2 . . . . 47 LEU HD1 . 11574 1 475 . 1 1 47 47 LEU HD21 H 1 1.084 0.030 . 2 . . . . 47 LEU HD2 . 11574 1 476 . 1 1 47 47 LEU HD22 H 1 1.084 0.030 . 2 . . . . 47 LEU HD2 . 11574 1 477 . 1 1 47 47 LEU HD23 H 1 1.084 0.030 . 2 . . . . 47 LEU HD2 . 11574 1 478 . 1 1 47 47 LEU HG H 1 1.807 0.030 . 1 . . . . 47 LEU HG . 11574 1 479 . 1 1 47 47 LEU C C 13 178.651 0.300 . 1 . . . . 47 LEU C . 11574 1 480 . 1 1 47 47 LEU CA C 13 58.142 0.300 . 1 . . . . 47 LEU CA . 11574 1 481 . 1 1 47 47 LEU CB C 13 41.179 0.300 . 1 . . . . 47 LEU CB . 11574 1 482 . 1 1 47 47 LEU CD1 C 13 24.533 0.300 . 2 . . . . 47 LEU CD1 . 11574 1 483 . 1 1 47 47 LEU CD2 C 13 24.992 0.300 . 2 . . . . 47 LEU CD2 . 11574 1 484 . 1 1 47 47 LEU CG C 13 27.043 0.300 . 1 . . . . 47 LEU CG . 11574 1 485 . 1 1 47 47 LEU N N 15 122.936 0.300 . 1 . . . . 47 LEU N . 11574 1 486 . 1 1 48 48 ALA H H 1 8.213 0.030 . 1 . . . . 48 ALA H . 11574 1 487 . 1 1 48 48 ALA HA H 1 3.810 0.030 . 1 . . . . 48 ALA HA . 11574 1 488 . 1 1 48 48 ALA HB1 H 1 1.497 0.030 . 1 . . . . 48 ALA HB . 11574 1 489 . 1 1 48 48 ALA HB2 H 1 1.497 0.030 . 1 . . . . 48 ALA HB . 11574 1 490 . 1 1 48 48 ALA HB3 H 1 1.497 0.030 . 1 . . . . 48 ALA HB . 11574 1 491 . 1 1 48 48 ALA C C 13 177.820 0.300 . 1 . . . . 48 ALA C . 11574 1 492 . 1 1 48 48 ALA CA C 13 55.618 0.300 . 1 . . . . 48 ALA CA . 11574 1 493 . 1 1 48 48 ALA CB C 13 18.478 0.300 . 1 . . . . 48 ALA CB . 11574 1 494 . 1 1 48 48 ALA N N 15 118.405 0.300 . 1 . . . . 48 ALA N . 11574 1 495 . 1 1 49 49 GLU H H 1 7.823 0.030 . 1 . . . . 49 GLU H . 11574 1 496 . 1 1 49 49 GLU HA H 1 3.889 0.030 . 1 . . . . 49 GLU HA . 11574 1 497 . 1 1 49 49 GLU HB2 H 1 2.353 0.030 . 2 . . . . 49 GLU HB2 . 11574 1 498 . 1 1 49 49 GLU HB3 H 1 2.023 0.030 . 2 . . . . 49 GLU HB3 . 11574 1 499 . 1 1 49 49 GLU HG2 H 1 2.140 0.030 . 2 . . . . 49 GLU HG2 . 11574 1 500 . 1 1 49 49 GLU HG3 H 1 2.213 0.030 . 2 . . . . 49 GLU HG3 . 11574 1 501 . 1 1 49 49 GLU C C 13 180.837 0.300 . 1 . . . . 49 GLU C . 11574 1 502 . 1 1 49 49 GLU CA C 13 59.505 0.300 . 1 . . . . 49 GLU CA . 11574 1 503 . 1 1 49 49 GLU CB C 13 30.211 0.300 . 1 . . . . 49 GLU CB . 11574 1 504 . 1 1 49 49 GLU CG C 13 37.332 0.300 . 1 . . . . 49 GLU CG . 11574 1 505 . 1 1 49 49 GLU N N 15 117.966 0.300 . 1 . . . . 49 GLU N . 11574 1 506 . 1 1 50 50 LYS H H 1 8.360 0.030 . 1 . . . . 50 LYS H . 11574 1 507 . 1 1 50 50 LYS HA H 1 4.028 0.030 . 1 . . . . 50 LYS HA . 11574 1 508 . 1 1 50 50 LYS HB2 H 1 2.092 0.030 . 1 . . . . 50 LYS HB2 . 11574 1 509 . 1 1 50 50 LYS HB3 H 1 2.092 0.030 . 1 . . . . 50 LYS HB3 . 11574 1 510 . 1 1 50 50 LYS HD2 H 1 1.684 0.030 . 1 . . . . 50 LYS HD2 . 11574 1 511 . 1 1 50 50 LYS HD3 H 1 1.684 0.030 . 1 . . . . 50 LYS HD3 . 11574 1 512 . 1 1 50 50 LYS HE2 H 1 2.972 0.030 . 1 . . . . 50 LYS HE2 . 11574 1 513 . 1 1 50 50 LYS HE3 H 1 2.972 0.030 . 1 . . . . 50 LYS HE3 . 11574 1 514 . 1 1 50 50 LYS HG2 H 1 1.520 0.030 . 2 . . . . 50 LYS HG2 . 11574 1 515 . 1 1 50 50 LYS HG3 H 1 1.606 0.030 . 2 . . . . 50 LYS HG3 . 11574 1 516 . 1 1 50 50 LYS C C 13 178.898 0.300 . 1 . . . . 50 LYS C . 11574 1 517 . 1 1 50 50 LYS CA C 13 59.665 0.300 . 1 . . . . 50 LYS CA . 11574 1 518 . 1 1 50 50 LYS CB C 13 32.529 0.300 . 1 . . . . 50 LYS CB . 11574 1 519 . 1 1 50 50 LYS CD C 13 29.303 0.300 . 1 . . . . 50 LYS CD . 11574 1 520 . 1 1 50 50 LYS CE C 13 42.267 0.300 . 1 . . . . 50 LYS CE . 11574 1 521 . 1 1 50 50 LYS CG C 13 25.265 0.300 . 1 . . . . 50 LYS CG . 11574 1 522 . 1 1 50 50 LYS N N 15 122.661 0.300 . 1 . . . . 50 LYS N . 11574 1 523 . 1 1 51 51 GLU H H 1 8.294 0.030 . 1 . . . . 51 GLU H . 11574 1 524 . 1 1 51 51 GLU HA H 1 4.460 0.030 . 1 . . . . 51 GLU HA . 11574 1 525 . 1 1 51 51 GLU HB2 H 1 2.466 0.030 . 2 . . . . 51 GLU HB2 . 11574 1 526 . 1 1 51 51 GLU HB3 H 1 1.633 0.030 . 2 . . . . 51 GLU HB3 . 11574 1 527 . 1 1 51 51 GLU HG2 H 1 2.468 0.030 . 2 . . . . 51 GLU HG2 . 11574 1 528 . 1 1 51 51 GLU HG3 H 1 2.515 0.030 . 2 . . . . 51 GLU HG3 . 11574 1 529 . 1 1 51 51 GLU C C 13 176.866 0.300 . 1 . . . . 51 GLU C . 11574 1 530 . 1 1 51 51 GLU CA C 13 55.806 0.300 . 1 . . . . 51 GLU CA . 11574 1 531 . 1 1 51 51 GLU CB C 13 29.568 0.300 . 1 . . . . 51 GLU CB . 11574 1 532 . 1 1 51 51 GLU CG C 13 35.763 0.300 . 1 . . . . 51 GLU CG . 11574 1 533 . 1 1 51 51 GLU N N 15 115.549 0.300 . 1 . . . . 51 GLU N . 11574 1 534 . 1 1 52 52 GLY H H 1 7.642 0.030 . 1 . . . . 52 GLY H . 11574 1 535 . 1 1 52 52 GLY HA2 H 1 4.233 0.030 . 2 . . . . 52 GLY HA2 . 11574 1 536 . 1 1 52 52 GLY HA3 H 1 3.713 0.030 . 2 . . . . 52 GLY HA3 . 11574 1 537 . 1 1 52 52 GLY C C 13 175.018 0.300 . 1 . . . . 52 GLY C . 11574 1 538 . 1 1 52 52 GLY CA C 13 45.920 0.300 . 1 . . . . 52 GLY CA . 11574 1 539 . 1 1 52 52 GLY N N 15 105.124 0.300 . 1 . . . . 52 GLY N . 11574 1 540 . 1 1 53 53 LEU H H 1 8.002 0.030 . 1 . . . . 53 LEU H . 11574 1 541 . 1 1 53 53 LEU HA H 1 4.070 0.030 . 1 . . . . 53 LEU HA . 11574 1 542 . 1 1 53 53 LEU HB2 H 1 1.252 0.030 . 2 . . . . 53 LEU HB2 . 11574 1 543 . 1 1 53 53 LEU HB3 H 1 1.081 0.030 . 2 . . . . 53 LEU HB3 . 11574 1 544 . 1 1 53 53 LEU HD11 H 1 0.093 0.030 . 2 . . . . 53 LEU HD1 . 11574 1 545 . 1 1 53 53 LEU HD12 H 1 0.093 0.030 . 2 . . . . 53 LEU HD1 . 11574 1 546 . 1 1 53 53 LEU HD13 H 1 0.093 0.030 . 2 . . . . 53 LEU HD1 . 11574 1 547 . 1 1 53 53 LEU HD21 H 1 0.484 0.030 . 2 . . . . 53 LEU HD2 . 11574 1 548 . 1 1 53 53 LEU HD22 H 1 0.484 0.030 . 2 . . . . 53 LEU HD2 . 11574 1 549 . 1 1 53 53 LEU HD23 H 1 0.484 0.030 . 2 . . . . 53 LEU HD2 . 11574 1 550 . 1 1 53 53 LEU HG H 1 1.350 0.030 . 1 . . . . 53 LEU HG . 11574 1 551 . 1 1 53 53 LEU C C 13 175.357 0.300 . 1 . . . . 53 LEU C . 11574 1 552 . 1 1 53 53 LEU CA C 13 55.628 0.300 . 1 . . . . 53 LEU CA . 11574 1 553 . 1 1 53 53 LEU CB C 13 43.283 0.300 . 1 . . . . 53 LEU CB . 11574 1 554 . 1 1 53 53 LEU CD1 C 13 25.250 0.300 . 2 . . . . 53 LEU CD1 . 11574 1 555 . 1 1 53 53 LEU CD2 C 13 24.353 0.300 . 2 . . . . 53 LEU CD2 . 11574 1 556 . 1 1 53 53 LEU CG C 13 26.693 0.300 . 1 . . . . 53 LEU CG . 11574 1 557 . 1 1 53 53 LEU N N 15 123.000 0.300 . 1 . . . . 53 LEU N . 11574 1 558 . 1 1 54 54 ARG H H 1 8.584 0.030 . 1 . . . . 54 ARG H . 11574 1 559 . 1 1 54 54 ARG HA H 1 4.659 0.030 . 1 . . . . 54 ARG HA . 11574 1 560 . 1 1 54 54 ARG HB2 H 1 1.692 0.030 . 1 . . . . 54 ARG HB2 . 11574 1 561 . 1 1 54 54 ARG HB3 H 1 1.692 0.030 . 1 . . . . 54 ARG HB3 . 11574 1 562 . 1 1 54 54 ARG HD2 H 1 3.088 0.030 . 2 . . . . 54 ARG HD2 . 11574 1 563 . 1 1 54 54 ARG HD3 H 1 3.204 0.030 . 2 . . . . 54 ARG HD3 . 11574 1 564 . 1 1 54 54 ARG HG2 H 1 1.543 0.030 . 1 . . . . 54 ARG HG2 . 11574 1 565 . 1 1 54 54 ARG HG3 H 1 1.543 0.030 . 1 . . . . 54 ARG HG3 . 11574 1 566 . 1 1 54 54 ARG CA C 13 53.836 0.300 . 1 . . . . 54 ARG CA . 11574 1 567 . 1 1 54 54 ARG CB C 13 33.591 0.300 . 1 . . . . 54 ARG CB . 11574 1 568 . 1 1 54 54 ARG CD C 13 43.690 0.300 . 1 . . . . 54 ARG CD . 11574 1 569 . 1 1 54 54 ARG CG C 13 26.872 0.300 . 1 . . . . 54 ARG CG . 11574 1 570 . 1 1 54 54 ARG N N 15 123.542 0.300 . 1 . . . . 54 ARG N . 11574 1 571 . 1 1 55 55 VAL H H 1 8.500 0.030 . 1 . . . . 55 VAL H . 11574 1 572 . 1 1 55 55 VAL HA H 1 3.281 0.030 . 1 . . . . 55 VAL HA . 11574 1 573 . 1 1 55 55 VAL HB H 1 1.893 0.030 . 1 . . . . 55 VAL HB . 11574 1 574 . 1 1 55 55 VAL HG11 H 1 1.009 0.030 . 2 . . . . 55 VAL HG1 . 11574 1 575 . 1 1 55 55 VAL HG12 H 1 1.009 0.030 . 2 . . . . 55 VAL HG1 . 11574 1 576 . 1 1 55 55 VAL HG13 H 1 1.009 0.030 . 2 . . . . 55 VAL HG1 . 11574 1 577 . 1 1 55 55 VAL HG21 H 1 0.933 0.030 . 2 . . . . 55 VAL HG2 . 11574 1 578 . 1 1 55 55 VAL HG22 H 1 0.933 0.030 . 2 . . . . 55 VAL HG2 . 11574 1 579 . 1 1 55 55 VAL HG23 H 1 0.933 0.030 . 2 . . . . 55 VAL HG2 . 11574 1 580 . 1 1 55 55 VAL C C 13 177.435 0.300 . 1 . . . . 55 VAL C . 11574 1 581 . 1 1 55 55 VAL CA C 13 65.502 0.300 . 1 . . . . 55 VAL CA . 11574 1 582 . 1 1 55 55 VAL CB C 13 31.264 0.300 . 1 . . . . 55 VAL CB . 11574 1 583 . 1 1 55 55 VAL CG1 C 13 23.358 0.300 . 2 . . . . 55 VAL CG1 . 11574 1 584 . 1 1 55 55 VAL CG2 C 13 21.283 0.300 . 2 . . . . 55 VAL CG2 . 11574 1 585 . 1 1 55 55 VAL N N 15 120.938 0.300 . 1 . . . . 55 VAL N . 11574 1 586 . 1 1 56 56 GLY H H 1 9.052 0.030 . 1 . . . . 56 GLY H . 11574 1 587 . 1 1 56 56 GLY HA2 H 1 4.555 0.030 . 2 . . . . 56 GLY HA2 . 11574 1 588 . 1 1 56 56 GLY HA3 H 1 3.655 0.030 . 2 . . . . 56 GLY HA3 . 11574 1 589 . 1 1 56 56 GLY C C 13 174.772 0.300 . 1 . . . . 56 GLY C . 11574 1 590 . 1 1 56 56 GLY CA C 13 44.672 0.300 . 1 . . . . 56 GLY CA . 11574 1 591 . 1 1 56 56 GLY N N 15 116.334 0.300 . 1 . . . . 56 GLY N . 11574 1 592 . 1 1 57 57 ASP H H 1 8.111 0.030 . 1 . . . . 57 ASP H . 11574 1 593 . 1 1 57 57 ASP HA H 1 4.709 0.030 . 1 . . . . 57 ASP HA . 11574 1 594 . 1 1 57 57 ASP HB2 H 1 2.722 0.030 . 2 . . . . 57 ASP HB2 . 11574 1 595 . 1 1 57 57 ASP HB3 H 1 2.233 0.030 . 2 . . . . 57 ASP HB3 . 11574 1 596 . 1 1 57 57 ASP C C 13 175.311 0.300 . 1 . . . . 57 ASP C . 11574 1 597 . 1 1 57 57 ASP CA C 13 55.973 0.300 . 1 . . . . 57 ASP CA . 11574 1 598 . 1 1 57 57 ASP CB C 13 41.051 0.300 . 1 . . . . 57 ASP CB . 11574 1 599 . 1 1 57 57 ASP N N 15 122.882 0.300 . 1 . . . . 57 ASP N . 11574 1 600 . 1 1 58 58 GLN H H 1 8.994 0.030 . 1 . . . . 58 GLN H . 11574 1 601 . 1 1 58 58 GLN HA H 1 4.790 0.030 . 1 . . . . 58 GLN HA . 11574 1 602 . 1 1 58 58 GLN HB2 H 1 2.193 0.030 . 2 . . . . 58 GLN HB2 . 11574 1 603 . 1 1 58 58 GLN HB3 H 1 2.012 0.030 . 2 . . . . 58 GLN HB3 . 11574 1 604 . 1 1 58 58 GLN HE21 H 1 6.663 0.030 . 2 . . . . 58 GLN HE21 . 11574 1 605 . 1 1 58 58 GLN HE22 H 1 7.418 0.030 . 2 . . . . 58 GLN HE22 . 11574 1 606 . 1 1 58 58 GLN HG2 H 1 1.752 0.030 . 1 . . . . 58 GLN HG2 . 11574 1 607 . 1 1 58 58 GLN HG3 H 1 1.752 0.030 . 1 . . . . 58 GLN HG3 . 11574 1 608 . 1 1 58 58 GLN C C 13 176.250 0.300 . 1 . . . . 58 GLN C . 11574 1 609 . 1 1 58 58 GLN CA C 13 53.869 0.300 . 1 . . . . 58 GLN CA . 11574 1 610 . 1 1 58 58 GLN CB C 13 30.359 0.300 . 1 . . . . 58 GLN CB . 11574 1 611 . 1 1 58 58 GLN CG C 13 33.022 0.300 . 1 . . . . 58 GLN CG . 11574 1 612 . 1 1 58 58 GLN N N 15 122.777 0.300 . 1 . . . . 58 GLN N . 11574 1 613 . 1 1 58 58 GLN NE2 N 15 108.514 0.300 . 1 . . . . 58 GLN NE2 . 11574 1 614 . 1 1 59 59 ILE H H 1 8.739 0.030 . 1 . . . . 59 ILE H . 11574 1 615 . 1 1 59 59 ILE HA H 1 4.249 0.030 . 1 . . . . 59 ILE HA . 11574 1 616 . 1 1 59 59 ILE HB H 1 1.653 0.030 . 1 . . . . 59 ILE HB . 11574 1 617 . 1 1 59 59 ILE HD11 H 1 0.703 0.030 . 1 . . . . 59 ILE HD1 . 11574 1 618 . 1 1 59 59 ILE HD12 H 1 0.703 0.030 . 1 . . . . 59 ILE HD1 . 11574 1 619 . 1 1 59 59 ILE HD13 H 1 0.703 0.030 . 1 . . . . 59 ILE HD1 . 11574 1 620 . 1 1 59 59 ILE HG12 H 1 1.493 0.030 . 2 . . . . 59 ILE HG12 . 11574 1 621 . 1 1 59 59 ILE HG13 H 1 0.749 0.030 . 2 . . . . 59 ILE HG13 . 11574 1 622 . 1 1 59 59 ILE HG21 H 1 0.733 0.030 . 1 . . . . 59 ILE HG2 . 11574 1 623 . 1 1 59 59 ILE HG22 H 1 0.733 0.030 . 1 . . . . 59 ILE HG2 . 11574 1 624 . 1 1 59 59 ILE HG23 H 1 0.733 0.030 . 1 . . . . 59 ILE HG2 . 11574 1 625 . 1 1 59 59 ILE CA C 13 61.138 0.300 . 1 . . . . 59 ILE CA . 11574 1 626 . 1 1 59 59 ILE CB C 13 37.177 0.300 . 1 . . . . 59 ILE CB . 11574 1 627 . 1 1 59 59 ILE CD1 C 13 13.552 0.300 . 1 . . . . 59 ILE CD1 . 11574 1 628 . 1 1 59 59 ILE CG1 C 13 27.003 0.300 . 1 . . . . 59 ILE CG1 . 11574 1 629 . 1 1 59 59 ILE CG2 C 13 19.951 0.300 . 1 . . . . 59 ILE CG2 . 11574 1 630 . 1 1 59 59 ILE N N 15 125.702 0.300 . 1 . . . . 59 ILE N . 11574 1 631 . 1 1 60 60 LEU H H 1 9.166 0.030 . 1 . . . . 60 LEU H . 11574 1 632 . 1 1 60 60 LEU HA H 1 4.258 0.030 . 1 . . . . 60 LEU HA . 11574 1 633 . 1 1 60 60 LEU HB2 H 1 1.546 0.030 . 1 . . . . 60 LEU HB2 . 11574 1 634 . 1 1 60 60 LEU HB3 H 1 1.546 0.030 . 1 . . . . 60 LEU HB3 . 11574 1 635 . 1 1 60 60 LEU HD11 H 1 0.803 0.030 . 2 . . . . 60 LEU HD1 . 11574 1 636 . 1 1 60 60 LEU HD12 H 1 0.803 0.030 . 2 . . . . 60 LEU HD1 . 11574 1 637 . 1 1 60 60 LEU HD13 H 1 0.803 0.030 . 2 . . . . 60 LEU HD1 . 11574 1 638 . 1 1 60 60 LEU HD21 H 1 0.682 0.030 . 2 . . . . 60 LEU HD2 . 11574 1 639 . 1 1 60 60 LEU HD22 H 1 0.682 0.030 . 2 . . . . 60 LEU HD2 . 11574 1 640 . 1 1 60 60 LEU HD23 H 1 0.682 0.030 . 2 . . . . 60 LEU HD2 . 11574 1 641 . 1 1 60 60 LEU HG H 1 1.573 0.030 . 1 . . . . 60 LEU HG . 11574 1 642 . 1 1 60 60 LEU C C 13 178.990 0.300 . 1 . . . . 60 LEU C . 11574 1 643 . 1 1 60 60 LEU CA C 13 56.264 0.300 . 1 . . . . 60 LEU CA . 11574 1 644 . 1 1 60 60 LEU CB C 13 42.982 0.300 . 1 . . . . 60 LEU CB . 11574 1 645 . 1 1 60 60 LEU CD1 C 13 25.877 0.300 . 2 . . . . 60 LEU CD1 . 11574 1 646 . 1 1 60 60 LEU CD2 C 13 22.013 0.300 . 2 . . . . 60 LEU CD2 . 11574 1 647 . 1 1 60 60 LEU CG C 13 27.093 0.300 . 1 . . . . 60 LEU CG . 11574 1 648 . 1 1 60 60 LEU N N 15 127.167 0.300 . 1 . . . . 60 LEU N . 11574 1 649 . 1 1 61 61 ARG H H 1 7.649 0.030 . 1 . . . . 61 ARG H . 11574 1 650 . 1 1 61 61 ARG HA H 1 5.079 0.030 . 1 . . . . 61 ARG HA . 11574 1 651 . 1 1 61 61 ARG HB2 H 1 1.632 0.030 . 2 . . . . 61 ARG HB2 . 11574 1 652 . 1 1 61 61 ARG HB3 H 1 1.730 0.030 . 2 . . . . 61 ARG HB3 . 11574 1 653 . 1 1 61 61 ARG HD2 H 1 3.103 0.030 . 1 . . . . 61 ARG HD2 . 11574 1 654 . 1 1 61 61 ARG HD3 H 1 3.103 0.030 . 1 . . . . 61 ARG HD3 . 11574 1 655 . 1 1 61 61 ARG HG2 H 1 1.347 0.030 . 2 . . . . 61 ARG HG2 . 11574 1 656 . 1 1 61 61 ARG HG3 H 1 1.497 0.030 . 2 . . . . 61 ARG HG3 . 11574 1 657 . 1 1 61 61 ARG C C 13 173.925 0.300 . 1 . . . . 61 ARG C . 11574 1 658 . 1 1 61 61 ARG CA C 13 55.178 0.300 . 1 . . . . 61 ARG CA . 11574 1 659 . 1 1 61 61 ARG CB C 13 35.490 0.300 . 1 . . . . 61 ARG CB . 11574 1 660 . 1 1 61 61 ARG CD C 13 43.741 0.300 . 1 . . . . 61 ARG CD . 11574 1 661 . 1 1 61 61 ARG CG C 13 27.659 0.300 . 1 . . . . 61 ARG CG . 11574 1 662 . 1 1 61 61 ARG N N 15 117.293 0.300 . 1 . . . . 61 ARG N . 11574 1 663 . 1 1 62 62 VAL H H 1 8.623 0.030 . 1 . . . . 62 VAL H . 11574 1 664 . 1 1 62 62 VAL HA H 1 4.552 0.030 . 1 . . . . 62 VAL HA . 11574 1 665 . 1 1 62 62 VAL HB H 1 1.824 0.030 . 1 . . . . 62 VAL HB . 11574 1 666 . 1 1 62 62 VAL HG11 H 1 0.873 0.030 . 2 . . . . 62 VAL HG1 . 11574 1 667 . 1 1 62 62 VAL HG12 H 1 0.873 0.030 . 2 . . . . 62 VAL HG1 . 11574 1 668 . 1 1 62 62 VAL HG13 H 1 0.873 0.030 . 2 . . . . 62 VAL HG1 . 11574 1 669 . 1 1 62 62 VAL HG21 H 1 0.907 0.030 . 2 . . . . 62 VAL HG2 . 11574 1 670 . 1 1 62 62 VAL HG22 H 1 0.907 0.030 . 2 . . . . 62 VAL HG2 . 11574 1 671 . 1 1 62 62 VAL HG23 H 1 0.907 0.030 . 2 . . . . 62 VAL HG2 . 11574 1 672 . 1 1 62 62 VAL C C 13 174.649 0.300 . 1 . . . . 62 VAL C . 11574 1 673 . 1 1 62 62 VAL CA C 13 60.169 0.300 . 1 . . . . 62 VAL CA . 11574 1 674 . 1 1 62 62 VAL CB C 13 33.853 0.300 . 1 . . . . 62 VAL CB . 11574 1 675 . 1 1 62 62 VAL CG1 C 13 22.381 0.300 . 2 . . . . 62 VAL CG1 . 11574 1 676 . 1 1 62 62 VAL CG2 C 13 20.704 0.300 . 2 . . . . 62 VAL CG2 . 11574 1 677 . 1 1 62 62 VAL N N 15 121.117 0.300 . 1 . . . . 62 VAL N . 11574 1 678 . 1 1 63 63 ASN H H 1 9.633 0.030 . 1 . . . . 63 ASN H . 11574 1 679 . 1 1 63 63 ASN HA H 1 4.354 0.030 . 1 . . . . 63 ASN HA . 11574 1 680 . 1 1 63 63 ASN HB2 H 1 3.238 0.030 . 2 . . . . 63 ASN HB2 . 11574 1 681 . 1 1 63 63 ASN HB3 H 1 3.004 0.030 . 2 . . . . 63 ASN HB3 . 11574 1 682 . 1 1 63 63 ASN HD21 H 1 8.046 0.030 . 2 . . . . 63 ASN HD21 . 11574 1 683 . 1 1 63 63 ASN HD22 H 1 7.321 0.030 . 2 . . . . 63 ASN HD22 . 11574 1 684 . 1 1 63 63 ASN C C 13 174.433 0.300 . 1 . . . . 63 ASN C . 11574 1 685 . 1 1 63 63 ASN CA C 13 55.399 0.300 . 1 . . . . 63 ASN CA . 11574 1 686 . 1 1 63 63 ASN CB C 13 36.026 0.300 . 1 . . . . 63 ASN CB . 11574 1 687 . 1 1 63 63 ASN N N 15 127.653 0.300 . 1 . . . . 63 ASN N . 11574 1 688 . 1 1 63 63 ASN ND2 N 15 112.587 0.300 . 1 . . . . 63 ASN ND2 . 11574 1 689 . 1 1 64 64 ASP H H 1 8.633 0.030 . 1 . . . . 64 ASP H . 11574 1 690 . 1 1 64 64 ASP HA H 1 4.559 0.030 . 1 . . . . 64 ASP HA . 11574 1 691 . 1 1 64 64 ASP HB2 H 1 2.823 0.030 . 2 . . . . 64 ASP HB2 . 11574 1 692 . 1 1 64 64 ASP HB3 H 1 2.793 0.030 . 2 . . . . 64 ASP HB3 . 11574 1 693 . 1 1 64 64 ASP CA C 13 54.937 0.300 . 1 . . . . 64 ASP CA . 11574 1 694 . 1 1 64 64 ASP CB C 13 40.647 0.300 . 1 . . . . 64 ASP CB . 11574 1 695 . 1 1 64 64 ASP N N 15 118.107 0.300 . 1 . . . . 64 ASP N . 11574 1 696 . 1 1 65 65 LYS H H 1 8.447 0.030 . 1 . . . . 65 LYS H . 11574 1 697 . 1 1 65 65 LYS HA H 1 4.523 0.030 . 1 . . . . 65 LYS HA . 11574 1 698 . 1 1 65 65 LYS HB2 H 1 1.973 0.030 . 2 . . . . 65 LYS HB2 . 11574 1 699 . 1 1 65 65 LYS HB3 H 1 1.857 0.030 . 2 . . . . 65 LYS HB3 . 11574 1 700 . 1 1 65 65 LYS HE2 H 1 2.924 0.030 . 2 . . . . 65 LYS HE2 . 11574 1 701 . 1 1 65 65 LYS HE3 H 1 3.051 0.030 . 2 . . . . 65 LYS HE3 . 11574 1 702 . 1 1 65 65 LYS HG2 H 1 1.454 0.030 . 2 . . . . 65 LYS HG2 . 11574 1 703 . 1 1 65 65 LYS HG3 H 1 1.336 0.030 . 2 . . . . 65 LYS HG3 . 11574 1 704 . 1 1 65 65 LYS C C 13 175.742 0.300 . 1 . . . . 65 LYS C . 11574 1 705 . 1 1 65 65 LYS CA C 13 55.144 0.300 . 1 . . . . 65 LYS CA . 11574 1 706 . 1 1 65 65 LYS CB C 13 33.535 0.300 . 1 . . . . 65 LYS CB . 11574 1 707 . 1 1 65 65 LYS CD C 13 29.229 0.300 . 1 . . . . 65 LYS CD . 11574 1 708 . 1 1 65 65 LYS CE C 13 42.267 0.300 . 1 . . . . 65 LYS CE . 11574 1 709 . 1 1 65 65 LYS CG C 13 24.567 0.300 . 1 . . . . 65 LYS CG . 11574 1 710 . 1 1 65 65 LYS N N 15 122.305 0.300 . 1 . . . . 65 LYS N . 11574 1 711 . 1 1 66 66 SER H H 1 8.875 0.030 . 1 . . . . 66 SER H . 11574 1 712 . 1 1 66 66 SER HA H 1 4.413 0.030 . 1 . . . . 66 SER HA . 11574 1 713 . 1 1 66 66 SER HB2 H 1 4.066 0.030 . 2 . . . . 66 SER HB2 . 11574 1 714 . 1 1 66 66 SER HB3 H 1 3.885 0.030 . 2 . . . . 66 SER HB3 . 11574 1 715 . 1 1 66 66 SER CA C 13 58.592 0.300 . 1 . . . . 66 SER CA . 11574 1 716 . 1 1 66 66 SER CB C 13 63.616 0.300 . 1 . . . . 66 SER CB . 11574 1 717 . 1 1 66 66 SER N N 15 119.408 0.300 . 1 . . . . 66 SER N . 11574 1 718 . 1 1 67 67 LEU H H 1 8.342 0.030 . 1 . . . . 67 LEU H . 11574 1 719 . 1 1 67 67 LEU HA H 1 4.720 0.030 . 1 . . . . 67 LEU HA . 11574 1 720 . 1 1 67 67 LEU HB2 H 1 1.835 0.030 . 2 . . . . 67 LEU HB2 . 11574 1 721 . 1 1 67 67 LEU HB3 H 1 1.511 0.030 . 2 . . . . 67 LEU HB3 . 11574 1 722 . 1 1 67 67 LEU HD11 H 1 0.743 0.030 . 2 . . . . 67 LEU HD1 . 11574 1 723 . 1 1 67 67 LEU HD12 H 1 0.743 0.030 . 2 . . . . 67 LEU HD1 . 11574 1 724 . 1 1 67 67 LEU HD13 H 1 0.743 0.030 . 2 . . . . 67 LEU HD1 . 11574 1 725 . 1 1 67 67 LEU HD21 H 1 0.701 0.030 . 2 . . . . 67 LEU HD2 . 11574 1 726 . 1 1 67 67 LEU HD22 H 1 0.701 0.030 . 2 . . . . 67 LEU HD2 . 11574 1 727 . 1 1 67 67 LEU HD23 H 1 0.701 0.030 . 2 . . . . 67 LEU HD2 . 11574 1 728 . 1 1 67 67 LEU HG H 1 1.493 0.030 . 1 . . . . 67 LEU HG . 11574 1 729 . 1 1 67 67 LEU C C 13 176.619 0.300 . 1 . . . . 67 LEU C . 11574 1 730 . 1 1 67 67 LEU CA C 13 53.295 0.300 . 1 . . . . 67 LEU CA . 11574 1 731 . 1 1 67 67 LEU CB C 13 39.712 0.300 . 1 . . . . 67 LEU CB . 11574 1 732 . 1 1 67 67 LEU CD1 C 13 25.526 0.300 . 2 . . . . 67 LEU CD1 . 11574 1 733 . 1 1 67 67 LEU CD2 C 13 22.312 0.300 . 2 . . . . 67 LEU CD2 . 11574 1 734 . 1 1 67 67 LEU CG C 13 27.314 0.300 . 1 . . . . 67 LEU CG . 11574 1 735 . 1 1 67 67 LEU N N 15 126.668 0.300 . 1 . . . . 67 LEU N . 11574 1 736 . 1 1 68 68 ALA H H 1 8.110 0.030 . 1 . . . . 68 ALA H . 11574 1 737 . 1 1 68 68 ALA HA H 1 4.113 0.030 . 1 . . . . 68 ALA HA . 11574 1 738 . 1 1 68 68 ALA HB1 H 1 1.413 0.030 . 1 . . . . 68 ALA HB . 11574 1 739 . 1 1 68 68 ALA HB2 H 1 1.413 0.030 . 1 . . . . 68 ALA HB . 11574 1 740 . 1 1 68 68 ALA HB3 H 1 1.413 0.030 . 1 . . . . 68 ALA HB . 11574 1 741 . 1 1 68 68 ALA C C 13 178.297 0.300 . 1 . . . . 68 ALA C . 11574 1 742 . 1 1 68 68 ALA CA C 13 55.144 0.300 . 1 . . . . 68 ALA CA . 11574 1 743 . 1 1 68 68 ALA CB C 13 18.733 0.300 . 1 . . . . 68 ALA CB . 11574 1 744 . 1 1 68 68 ALA N N 15 125.094 0.300 . 1 . . . . 68 ALA N . 11574 1 745 . 1 1 69 69 ARG H H 1 8.683 0.030 . 1 . . . . 69 ARG H . 11574 1 746 . 1 1 69 69 ARG HA H 1 4.394 0.030 . 1 . . . . 69 ARG HA . 11574 1 747 . 1 1 69 69 ARG HB2 H 1 2.018 0.030 . 2 . . . . 69 ARG HB2 . 11574 1 748 . 1 1 69 69 ARG HB3 H 1 1.693 0.030 . 2 . . . . 69 ARG HB3 . 11574 1 749 . 1 1 69 69 ARG HD2 H 1 3.199 0.030 . 1 . . . . 69 ARG HD2 . 11574 1 750 . 1 1 69 69 ARG HD3 H 1 3.199 0.030 . 1 . . . . 69 ARG HD3 . 11574 1 751 . 1 1 69 69 ARG HG2 H 1 1.532 0.030 . 1 . . . . 69 ARG HG2 . 11574 1 752 . 1 1 69 69 ARG HG3 H 1 1.532 0.030 . 1 . . . . 69 ARG HG3 . 11574 1 753 . 1 1 69 69 ARG C C 13 175.434 0.300 . 1 . . . . 69 ARG C . 11574 1 754 . 1 1 69 69 ARG CA C 13 55.633 0.300 . 1 . . . . 69 ARG CA . 11574 1 755 . 1 1 69 69 ARG CB C 13 29.730 0.300 . 1 . . . . 69 ARG CB . 11574 1 756 . 1 1 69 69 ARG CD C 13 43.299 0.300 . 1 . . . . 69 ARG CD . 11574 1 757 . 1 1 69 69 ARG CG C 13 27.388 0.300 . 1 . . . . 69 ARG CG . 11574 1 758 . 1 1 69 69 ARG N N 15 116.536 0.300 . 1 . . . . 69 ARG N . 11574 1 759 . 1 1 70 70 VAL H H 1 7.409 0.030 . 1 . . . . 70 VAL H . 11574 1 760 . 1 1 70 70 VAL HA H 1 4.778 0.030 . 1 . . . . 70 VAL HA . 11574 1 761 . 1 1 70 70 VAL HB H 1 2.431 0.030 . 1 . . . . 70 VAL HB . 11574 1 762 . 1 1 70 70 VAL HG11 H 1 0.994 0.030 . 2 . . . . 70 VAL HG1 . 11574 1 763 . 1 1 70 70 VAL HG12 H 1 0.994 0.030 . 2 . . . . 70 VAL HG1 . 11574 1 764 . 1 1 70 70 VAL HG13 H 1 0.994 0.030 . 2 . . . . 70 VAL HG1 . 11574 1 765 . 1 1 70 70 VAL HG21 H 1 0.923 0.030 . 2 . . . . 70 VAL HG2 . 11574 1 766 . 1 1 70 70 VAL HG22 H 1 0.923 0.030 . 2 . . . . 70 VAL HG2 . 11574 1 767 . 1 1 70 70 VAL HG23 H 1 0.923 0.030 . 2 . . . . 70 VAL HG2 . 11574 1 768 . 1 1 70 70 VAL C C 13 177.112 0.300 . 1 . . . . 70 VAL C . 11574 1 769 . 1 1 70 70 VAL CA C 13 59.926 0.300 . 1 . . . . 70 VAL CA . 11574 1 770 . 1 1 70 70 VAL CB C 13 34.037 0.300 . 1 . . . . 70 VAL CB . 11574 1 771 . 1 1 70 70 VAL CG1 C 13 22.121 0.300 . 2 . . . . 70 VAL CG1 . 11574 1 772 . 1 1 70 70 VAL CG2 C 13 19.433 0.300 . 2 . . . . 70 VAL CG2 . 11574 1 773 . 1 1 70 70 VAL N N 15 114.081 0.300 . 1 . . . . 70 VAL N . 11574 1 774 . 1 1 71 71 THR H H 1 8.520 0.030 . 1 . . . . 71 THR H . 11574 1 775 . 1 1 71 71 THR HA H 1 4.892 0.030 . 1 . . . . 71 THR HA . 11574 1 776 . 1 1 71 71 THR HB H 1 4.823 0.030 . 1 . . . . 71 THR HB . 11574 1 777 . 1 1 71 71 THR HG21 H 1 1.325 0.030 . 1 . . . . 71 THR HG2 . 11574 1 778 . 1 1 71 71 THR HG22 H 1 1.325 0.030 . 1 . . . . 71 THR HG2 . 11574 1 779 . 1 1 71 71 THR HG23 H 1 1.325 0.030 . 1 . . . . 71 THR HG2 . 11574 1 780 . 1 1 71 71 THR C C 13 175.819 0.300 . 1 . . . . 71 THR C . 11574 1 781 . 1 1 71 71 THR CA C 13 61.010 0.300 . 1 . . . . 71 THR CA . 11574 1 782 . 1 1 71 71 THR CB C 13 71.404 0.300 . 1 . . . . 71 THR CB . 11574 1 783 . 1 1 71 71 THR CG2 C 13 22.143 0.300 . 1 . . . . 71 THR CG2 . 11574 1 784 . 1 1 71 71 THR N N 15 114.202 0.300 . 1 . . . . 71 THR N . 11574 1 785 . 1 1 72 72 HIS H H 1 10.168 0.030 . 1 . . . . 72 HIS H . 11574 1 786 . 1 1 72 72 HIS HA H 1 3.922 0.030 . 1 . . . . 72 HIS HA . 11574 1 787 . 1 1 72 72 HIS HB2 H 1 3.293 0.030 . 2 . . . . 72 HIS HB2 . 11574 1 788 . 1 1 72 72 HIS HB3 H 1 3.818 0.030 . 2 . . . . 72 HIS HB3 . 11574 1 789 . 1 1 72 72 HIS HD2 H 1 6.793 0.030 . 1 . . . . 72 HIS HD2 . 11574 1 790 . 1 1 72 72 HIS HE1 H 1 7.772 0.030 . 1 . . . . 72 HIS HE1 . 11574 1 791 . 1 1 72 72 HIS C C 13 177.481 0.300 . 1 . . . . 72 HIS C . 11574 1 792 . 1 1 72 72 HIS CA C 13 62.540 0.300 . 1 . . . . 72 HIS CA . 11574 1 793 . 1 1 72 72 HIS CB C 13 30.139 0.300 . 1 . . . . 72 HIS CB . 11574 1 794 . 1 1 72 72 HIS CD2 C 13 120.004 0.300 . 1 . . . . 72 HIS CD2 . 11574 1 795 . 1 1 72 72 HIS CE1 C 13 137.656 0.300 . 1 . . . . 72 HIS CE1 . 11574 1 796 . 1 1 72 72 HIS N N 15 123.257 0.300 . 1 . . . . 72 HIS N . 11574 1 797 . 1 1 73 73 ALA H H 1 9.112 0.030 . 1 . . . . 73 ALA H . 11574 1 798 . 1 1 73 73 ALA HA H 1 4.062 0.030 . 1 . . . . 73 ALA HA . 11574 1 799 . 1 1 73 73 ALA HB1 H 1 1.493 0.030 . 1 . . . . 73 ALA HB . 11574 1 800 . 1 1 73 73 ALA HB2 H 1 1.493 0.030 . 1 . . . . 73 ALA HB . 11574 1 801 . 1 1 73 73 ALA HB3 H 1 1.493 0.030 . 1 . . . . 73 ALA HB . 11574 1 802 . 1 1 73 73 ALA C C 13 181.592 0.300 . 1 . . . . 73 ALA C . 11574 1 803 . 1 1 73 73 ALA CA C 13 55.324 0.300 . 1 . . . . 73 ALA CA . 11574 1 804 . 1 1 73 73 ALA CB C 13 18.414 0.300 . 1 . . . . 73 ALA CB . 11574 1 805 . 1 1 73 73 ALA N N 15 117.837 0.300 . 1 . . . . 73 ALA N . 11574 1 806 . 1 1 74 74 GLU H H 1 7.823 0.030 . 1 . . . . 74 GLU H . 11574 1 807 . 1 1 74 74 GLU HA H 1 3.931 0.030 . 1 . . . . 74 GLU HA . 11574 1 808 . 1 1 74 74 GLU HB2 H 1 2.342 0.030 . 2 . . . . 74 GLU HB2 . 11574 1 809 . 1 1 74 74 GLU HB3 H 1 1.955 0.030 . 2 . . . . 74 GLU HB3 . 11574 1 810 . 1 1 74 74 GLU HG2 H 1 2.399 0.030 . 2 . . . . 74 GLU HG2 . 11574 1 811 . 1 1 74 74 GLU HG3 H 1 2.223 0.030 . 2 . . . . 74 GLU HG3 . 11574 1 812 . 1 1 74 74 GLU C C 13 179.498 0.300 . 1 . . . . 74 GLU C . 11574 1 813 . 1 1 74 74 GLU CA C 13 59.027 0.300 . 1 . . . . 74 GLU CA . 11574 1 814 . 1 1 74 74 GLU CB C 13 30.215 0.300 . 1 . . . . 74 GLU CB . 11574 1 815 . 1 1 74 74 GLU CG C 13 37.380 0.300 . 1 . . . . 74 GLU CG . 11574 1 816 . 1 1 74 74 GLU N N 15 118.744 0.300 . 1 . . . . 74 GLU N . 11574 1 817 . 1 1 75 75 ALA H H 1 8.279 0.030 . 1 . . . . 75 ALA H . 11574 1 818 . 1 1 75 75 ALA HA H 1 3.903 0.030 . 1 . . . . 75 ALA HA . 11574 1 819 . 1 1 75 75 ALA HB1 H 1 1.359 0.030 . 1 . . . . 75 ALA HB . 11574 1 820 . 1 1 75 75 ALA HB2 H 1 1.359 0.030 . 1 . . . . 75 ALA HB . 11574 1 821 . 1 1 75 75 ALA HB3 H 1 1.359 0.030 . 1 . . . . 75 ALA HB . 11574 1 822 . 1 1 75 75 ALA C C 13 178.359 0.300 . 1 . . . . 75 ALA C . 11574 1 823 . 1 1 75 75 ALA CA C 13 55.365 0.300 . 1 . . . . 75 ALA CA . 11574 1 824 . 1 1 75 75 ALA CB C 13 18.813 0.300 . 1 . . . . 75 ALA CB . 11574 1 825 . 1 1 75 75 ALA N N 15 124.562 0.300 . 1 . . . . 75 ALA N . 11574 1 826 . 1 1 76 76 VAL H H 1 8.283 0.030 . 1 . . . . 76 VAL H . 11574 1 827 . 1 1 76 76 VAL HA H 1 3.303 0.030 . 1 . . . . 76 VAL HA . 11574 1 828 . 1 1 76 76 VAL HB H 1 2.028 0.030 . 1 . . . . 76 VAL HB . 11574 1 829 . 1 1 76 76 VAL HG11 H 1 0.825 0.030 . 2 . . . . 76 VAL HG1 . 11574 1 830 . 1 1 76 76 VAL HG12 H 1 0.825 0.030 . 2 . . . . 76 VAL HG1 . 11574 1 831 . 1 1 76 76 VAL HG13 H 1 0.825 0.030 . 2 . . . . 76 VAL HG1 . 11574 1 832 . 1 1 76 76 VAL HG21 H 1 0.893 0.030 . 2 . . . . 76 VAL HG2 . 11574 1 833 . 1 1 76 76 VAL HG22 H 1 0.893 0.030 . 2 . . . . 76 VAL HG2 . 11574 1 834 . 1 1 76 76 VAL HG23 H 1 0.893 0.030 . 2 . . . . 76 VAL HG2 . 11574 1 835 . 1 1 76 76 VAL C C 13 178.621 0.300 . 1 . . . . 76 VAL C . 11574 1 836 . 1 1 76 76 VAL CA C 13 67.257 0.300 . 1 . . . . 76 VAL CA . 11574 1 837 . 1 1 76 76 VAL CB C 13 31.832 0.300 . 1 . . . . 76 VAL CB . 11574 1 838 . 1 1 76 76 VAL CG1 C 13 23.294 0.300 . 2 . . . . 76 VAL CG1 . 11574 1 839 . 1 1 76 76 VAL CG2 C 13 21.441 0.300 . 2 . . . . 76 VAL CG2 . 11574 1 840 . 1 1 76 76 VAL N N 15 117.180 0.300 . 1 . . . . 76 VAL N . 11574 1 841 . 1 1 77 77 LYS H H 1 7.660 0.030 . 1 . . . . 77 LYS H . 11574 1 842 . 1 1 77 77 LYS HA H 1 3.890 0.030 . 1 . . . . 77 LYS HA . 11574 1 843 . 1 1 77 77 LYS HB2 H 1 1.881 0.030 . 1 . . . . 77 LYS HB2 . 11574 1 844 . 1 1 77 77 LYS HB3 H 1 1.881 0.030 . 1 . . . . 77 LYS HB3 . 11574 1 845 . 1 1 77 77 LYS HD2 H 1 1.683 0.030 . 1 . . . . 77 LYS HD2 . 11574 1 846 . 1 1 77 77 LYS HD3 H 1 1.683 0.030 . 1 . . . . 77 LYS HD3 . 11574 1 847 . 1 1 77 77 LYS HE2 H 1 2.973 0.030 . 1 . . . . 77 LYS HE2 . 11574 1 848 . 1 1 77 77 LYS HE3 H 1 2.973 0.030 . 1 . . . . 77 LYS HE3 . 11574 1 849 . 1 1 77 77 LYS HG2 H 1 1.403 0.030 . 2 . . . . 77 LYS HG2 . 11574 1 850 . 1 1 77 77 LYS HG3 H 1 1.563 0.030 . 2 . . . . 77 LYS HG3 . 11574 1 851 . 1 1 77 77 LYS C C 13 179.421 0.300 . 1 . . . . 77 LYS C . 11574 1 852 . 1 1 77 77 LYS CA C 13 59.684 0.300 . 1 . . . . 77 LYS CA . 11574 1 853 . 1 1 77 77 LYS CB C 13 32.634 0.300 . 1 . . . . 77 LYS CB . 11574 1 854 . 1 1 77 77 LYS CD C 13 29.671 0.300 . 1 . . . . 77 LYS CD . 11574 1 855 . 1 1 77 77 LYS CE C 13 42.194 0.300 . 1 . . . . 77 LYS CE . 11574 1 856 . 1 1 77 77 LYS CG C 13 25.348 0.300 . 1 . . . . 77 LYS CG . 11574 1 857 . 1 1 77 77 LYS N N 15 118.072 0.300 . 1 . . . . 77 LYS N . 11574 1 858 . 1 1 78 78 ALA H H 1 7.793 0.030 . 1 . . . . 78 ALA H . 11574 1 859 . 1 1 78 78 ALA HA H 1 4.140 0.030 . 1 . . . . 78 ALA HA . 11574 1 860 . 1 1 78 78 ALA HB1 H 1 1.455 0.030 . 1 . . . . 78 ALA HB . 11574 1 861 . 1 1 78 78 ALA HB2 H 1 1.455 0.030 . 1 . . . . 78 ALA HB . 11574 1 862 . 1 1 78 78 ALA HB3 H 1 1.455 0.030 . 1 . . . . 78 ALA HB . 11574 1 863 . 1 1 78 78 ALA CA C 13 54.452 0.300 . 1 . . . . 78 ALA CA . 11574 1 864 . 1 1 78 78 ALA CB C 13 17.805 0.300 . 1 . . . . 78 ALA CB . 11574 1 865 . 1 1 78 78 ALA N N 15 121.125 0.300 . 1 . . . . 78 ALA N . 11574 1 866 . 1 1 79 79 LEU H H 1 7.762 0.030 . 1 . . . . 79 LEU H . 11574 1 867 . 1 1 79 79 LEU HA H 1 4.184 0.030 . 1 . . . . 79 LEU HA . 11574 1 868 . 1 1 79 79 LEU HB2 H 1 1.474 0.030 . 2 . . . . 79 LEU HB2 . 11574 1 869 . 1 1 79 79 LEU HB3 H 1 1.890 0.030 . 2 . . . . 79 LEU HB3 . 11574 1 870 . 1 1 79 79 LEU HD11 H 1 0.770 0.030 . 2 . . . . 79 LEU HD1 . 11574 1 871 . 1 1 79 79 LEU HD12 H 1 0.770 0.030 . 2 . . . . 79 LEU HD1 . 11574 1 872 . 1 1 79 79 LEU HD13 H 1 0.770 0.030 . 2 . . . . 79 LEU HD1 . 11574 1 873 . 1 1 79 79 LEU HD21 H 1 0.933 0.030 . 2 . . . . 79 LEU HD2 . 11574 1 874 . 1 1 79 79 LEU HD22 H 1 0.933 0.030 . 2 . . . . 79 LEU HD2 . 11574 1 875 . 1 1 79 79 LEU HD23 H 1 0.933 0.030 . 2 . . . . 79 LEU HD2 . 11574 1 876 . 1 1 79 79 LEU HG H 1 1.940 0.030 . 1 . . . . 79 LEU HG . 11574 1 877 . 1 1 79 79 LEU C C 13 176.943 0.300 . 1 . . . . 79 LEU C . 11574 1 878 . 1 1 79 79 LEU CA C 13 56.292 0.300 . 1 . . . . 79 LEU CA . 11574 1 879 . 1 1 79 79 LEU CB C 13 42.135 0.300 . 1 . . . . 79 LEU CB . 11574 1 880 . 1 1 79 79 LEU CD1 C 13 26.333 0.300 . 2 . . . . 79 LEU CD1 . 11574 1 881 . 1 1 79 79 LEU CD2 C 13 24.635 0.300 . 2 . . . . 79 LEU CD2 . 11574 1 882 . 1 1 79 79 LEU CG C 13 26.793 0.300 . 1 . . . . 79 LEU CG . 11574 1 883 . 1 1 79 79 LEU N N 15 116.455 0.300 . 1 . . . . 79 LEU N . 11574 1 884 . 1 1 80 80 LYS H H 1 7.787 0.030 . 1 . . . . 80 LYS H . 11574 1 885 . 1 1 80 80 LYS HA H 1 4.240 0.030 . 1 . . . . 80 LYS HA . 11574 1 886 . 1 1 80 80 LYS HB2 H 1 1.879 0.030 . 2 . . . . 80 LYS HB2 . 11574 1 887 . 1 1 80 80 LYS HB3 H 1 1.812 0.030 . 2 . . . . 80 LYS HB3 . 11574 1 888 . 1 1 80 80 LYS HD2 H 1 1.623 0.030 . 1 . . . . 80 LYS HD2 . 11574 1 889 . 1 1 80 80 LYS HD3 H 1 1.623 0.030 . 1 . . . . 80 LYS HD3 . 11574 1 890 . 1 1 80 80 LYS HE2 H 1 2.920 0.030 . 1 . . . . 80 LYS HE2 . 11574 1 891 . 1 1 80 80 LYS HE3 H 1 2.920 0.030 . 1 . . . . 80 LYS HE3 . 11574 1 892 . 1 1 80 80 LYS HG2 H 1 1.613 0.030 . 2 . . . . 80 LYS HG2 . 11574 1 893 . 1 1 80 80 LYS HG3 H 1 1.394 0.030 . 2 . . . . 80 LYS HG3 . 11574 1 894 . 1 1 80 80 LYS C C 13 178.282 0.300 . 1 . . . . 80 LYS C . 11574 1 895 . 1 1 80 80 LYS CA C 13 57.312 0.300 . 1 . . . . 80 LYS CA . 11574 1 896 . 1 1 80 80 LYS CB C 13 33.372 0.300 . 1 . . . . 80 LYS CB . 11574 1 897 . 1 1 80 80 LYS CD C 13 29.450 0.300 . 1 . . . . 80 LYS CD . 11574 1 898 . 1 1 80 80 LYS CE C 13 42.120 0.300 . 1 . . . . 80 LYS CE . 11574 1 899 . 1 1 80 80 LYS CG C 13 25.645 0.300 . 1 . . . . 80 LYS CG . 11574 1 900 . 1 1 80 80 LYS N N 15 116.133 0.300 . 1 . . . . 80 LYS N . 11574 1 901 . 1 1 81 81 GLY H H 1 7.900 0.030 . 1 . . . . 81 GLY H . 11574 1 902 . 1 1 81 81 GLY HA2 H 1 3.964 0.030 . 1 . . . . 81 GLY HA2 . 11574 1 903 . 1 1 81 81 GLY HA3 H 1 3.964 0.030 . 1 . . . . 81 GLY HA3 . 11574 1 904 . 1 1 81 81 GLY C C 13 174.018 0.300 . 1 . . . . 81 GLY C . 11574 1 905 . 1 1 81 81 GLY CA C 13 46.383 0.300 . 1 . . . . 81 GLY CA . 11574 1 906 . 1 1 81 81 GLY N N 15 105.929 0.300 . 1 . . . . 81 GLY N . 11574 1 907 . 1 1 82 82 SER H H 1 7.362 0.030 . 1 . . . . 82 SER H . 11574 1 908 . 1 1 82 82 SER HB2 H 1 3.753 0.030 . 1 . . . . 82 SER HB2 . 11574 1 909 . 1 1 82 82 SER HB3 H 1 3.753 0.030 . 1 . . . . 82 SER HB3 . 11574 1 910 . 1 1 82 82 SER C C 13 173.679 0.300 . 1 . . . . 82 SER C . 11574 1 911 . 1 1 82 82 SER CA C 13 57.503 0.300 . 1 . . . . 82 SER CA . 11574 1 912 . 1 1 82 82 SER CB C 13 65.028 0.300 . 1 . . . . 82 SER CB . 11574 1 913 . 1 1 82 82 SER N N 15 112.962 0.300 . 1 . . . . 82 SER N . 11574 1 914 . 1 1 83 83 LYS HA H 1 4.083 0.030 . 1 . . . . 83 LYS HA . 11574 1 915 . 1 1 83 83 LYS HB2 H 1 1.799 0.030 . 1 . . . . 83 LYS HB2 . 11574 1 916 . 1 1 83 83 LYS HB3 H 1 1.799 0.030 . 1 . . . . 83 LYS HB3 . 11574 1 917 . 1 1 83 83 LYS HE2 H 1 2.998 0.030 . 1 . . . . 83 LYS HE2 . 11574 1 918 . 1 1 83 83 LYS HE3 H 1 2.998 0.030 . 1 . . . . 83 LYS HE3 . 11574 1 919 . 1 1 83 83 LYS HG2 H 1 1.288 0.030 . 2 . . . . 83 LYS HG2 . 11574 1 920 . 1 1 83 83 LYS HG3 H 1 1.464 0.030 . 2 . . . . 83 LYS HG3 . 11574 1 921 . 1 1 83 83 LYS CA C 13 58.285 0.300 . 1 . . . . 83 LYS CA . 11574 1 922 . 1 1 83 83 LYS CB C 13 32.653 0.300 . 1 . . . . 83 LYS CB . 11574 1 923 . 1 1 83 83 LYS CD C 13 29.156 0.300 . 1 . . . . 83 LYS CD . 11574 1 924 . 1 1 83 83 LYS CE C 13 42.120 0.300 . 1 . . . . 83 LYS CE . 11574 1 925 . 1 1 83 83 LYS CG C 13 25.445 0.300 . 1 . . . . 83 LYS CG . 11574 1 926 . 1 1 84 84 LYS H H 1 7.862 0.030 . 1 . . . . 84 LYS H . 11574 1 927 . 1 1 84 84 LYS HA H 1 4.750 0.030 . 1 . . . . 84 LYS HA . 11574 1 928 . 1 1 84 84 LYS HB2 H 1 1.808 0.030 . 2 . . . . 84 LYS HB2 . 11574 1 929 . 1 1 84 84 LYS HB3 H 1 1.693 0.030 . 2 . . . . 84 LYS HB3 . 11574 1 930 . 1 1 84 84 LYS HE2 H 1 2.920 0.030 . 1 . . . . 84 LYS HE2 . 11574 1 931 . 1 1 84 84 LYS HE3 H 1 2.920 0.030 . 1 . . . . 84 LYS HE3 . 11574 1 932 . 1 1 84 84 LYS HG2 H 1 1.238 0.030 . 2 . . . . 84 LYS HG2 . 11574 1 933 . 1 1 84 84 LYS HG3 H 1 1.339 0.030 . 2 . . . . 84 LYS HG3 . 11574 1 934 . 1 1 84 84 LYS C C 13 174.987 0.300 . 1 . . . . 84 LYS C . 11574 1 935 . 1 1 84 84 LYS CA C 13 55.682 0.300 . 1 . . . . 84 LYS CA . 11574 1 936 . 1 1 84 84 LYS CB C 13 33.614 0.300 . 1 . . . . 84 LYS CB . 11574 1 937 . 1 1 84 84 LYS CD C 13 29.303 0.300 . 1 . . . . 84 LYS CD . 11574 1 938 . 1 1 84 84 LYS CE C 13 42.120 0.300 . 1 . . . . 84 LYS CE . 11574 1 939 . 1 1 84 84 LYS CG C 13 25.178 0.300 . 1 . . . . 84 LYS CG . 11574 1 940 . 1 1 84 84 LYS N N 15 119.059 0.300 . 1 . . . . 84 LYS N . 11574 1 941 . 1 1 85 85 LEU H H 1 8.773 0.030 . 1 . . . . 85 LEU H . 11574 1 942 . 1 1 85 85 LEU HA H 1 4.755 0.030 . 1 . . . . 85 LEU HA . 11574 1 943 . 1 1 85 85 LEU HB2 H 1 1.281 0.030 . 2 . . . . 85 LEU HB2 . 11574 1 944 . 1 1 85 85 LEU HB3 H 1 1.851 0.030 . 2 . . . . 85 LEU HB3 . 11574 1 945 . 1 1 85 85 LEU HD11 H 1 1.043 0.030 . 2 . . . . 85 LEU HD1 . 11574 1 946 . 1 1 85 85 LEU HD12 H 1 1.043 0.030 . 2 . . . . 85 LEU HD1 . 11574 1 947 . 1 1 85 85 LEU HD13 H 1 1.043 0.030 . 2 . . . . 85 LEU HD1 . 11574 1 948 . 1 1 85 85 LEU HD21 H 1 0.983 0.030 . 2 . . . . 85 LEU HD2 . 11574 1 949 . 1 1 85 85 LEU HD22 H 1 0.983 0.030 . 2 . . . . 85 LEU HD2 . 11574 1 950 . 1 1 85 85 LEU HD23 H 1 0.983 0.030 . 2 . . . . 85 LEU HD2 . 11574 1 951 . 1 1 85 85 LEU HG H 1 1.605 0.030 . 1 . . . . 85 LEU HG . 11574 1 952 . 1 1 85 85 LEU CA C 13 53.869 0.300 . 1 . . . . 85 LEU CA . 11574 1 953 . 1 1 85 85 LEU CB C 13 45.273 0.300 . 1 . . . . 85 LEU CB . 11574 1 954 . 1 1 85 85 LEU CD1 C 13 26.537 0.300 . 2 . . . . 85 LEU CD1 . 11574 1 955 . 1 1 85 85 LEU CD2 C 13 25.044 0.300 . 2 . . . . 85 LEU CD2 . 11574 1 956 . 1 1 85 85 LEU CG C 13 26.827 0.300 . 1 . . . . 85 LEU CG . 11574 1 957 . 1 1 85 85 LEU N N 15 126.212 0.300 . 1 . . . . 85 LEU N . 11574 1 958 . 1 1 86 86 VAL H H 1 8.583 0.030 . 1 . . . . 86 VAL H . 11574 1 959 . 1 1 86 86 VAL HA H 1 4.553 0.030 . 1 . . . . 86 VAL HA . 11574 1 960 . 1 1 86 86 VAL HB H 1 2.144 0.030 . 1 . . . . 86 VAL HB . 11574 1 961 . 1 1 86 86 VAL HG11 H 1 0.932 0.030 . 2 . . . . 86 VAL HG1 . 11574 1 962 . 1 1 86 86 VAL HG12 H 1 0.932 0.030 . 2 . . . . 86 VAL HG1 . 11574 1 963 . 1 1 86 86 VAL HG13 H 1 0.932 0.030 . 2 . . . . 86 VAL HG1 . 11574 1 964 . 1 1 86 86 VAL HG21 H 1 0.843 0.030 . 2 . . . . 86 VAL HG2 . 11574 1 965 . 1 1 86 86 VAL HG22 H 1 0.843 0.030 . 2 . . . . 86 VAL HG2 . 11574 1 966 . 1 1 86 86 VAL HG23 H 1 0.843 0.030 . 2 . . . . 86 VAL HG2 . 11574 1 967 . 1 1 86 86 VAL CA C 13 62.356 0.300 . 1 . . . . 86 VAL CA . 11574 1 968 . 1 1 86 86 VAL CB C 13 31.841 0.300 . 1 . . . . 86 VAL CB . 11574 1 969 . 1 1 86 86 VAL CG1 C 13 20.839 0.300 . 2 . . . . 86 VAL CG1 . 11574 1 970 . 1 1 86 86 VAL CG2 C 13 21.595 0.300 . 2 . . . . 86 VAL CG2 . 11574 1 971 . 1 1 86 86 VAL N N 15 123.695 0.300 . 1 . . . . 86 VAL N . 11574 1 972 . 1 1 87 87 LEU H H 1 9.710 0.030 . 1 . . . . 87 LEU H . 11574 1 973 . 1 1 87 87 LEU HA H 1 5.087 0.030 . 1 . . . . 87 LEU HA . 11574 1 974 . 1 1 87 87 LEU HB2 H 1 1.920 0.030 . 2 . . . . 87 LEU HB2 . 11574 1 975 . 1 1 87 87 LEU HB3 H 1 1.173 0.030 . 2 . . . . 87 LEU HB3 . 11574 1 976 . 1 1 87 87 LEU HD11 H 1 0.662 0.030 . 2 . . . . 87 LEU HD1 . 11574 1 977 . 1 1 87 87 LEU HD12 H 1 0.662 0.030 . 2 . . . . 87 LEU HD1 . 11574 1 978 . 1 1 87 87 LEU HD13 H 1 0.662 0.030 . 2 . . . . 87 LEU HD1 . 11574 1 979 . 1 1 87 87 LEU HD21 H 1 0.819 0.030 . 2 . . . . 87 LEU HD2 . 11574 1 980 . 1 1 87 87 LEU HD22 H 1 0.819 0.030 . 2 . . . . 87 LEU HD2 . 11574 1 981 . 1 1 87 87 LEU HD23 H 1 0.819 0.030 . 2 . . . . 87 LEU HD2 . 11574 1 982 . 1 1 87 87 LEU HG H 1 1.704 0.030 . 1 . . . . 87 LEU HG . 11574 1 983 . 1 1 87 87 LEU CA C 13 53.270 0.300 . 1 . . . . 87 LEU CA . 11574 1 984 . 1 1 87 87 LEU CB C 13 43.666 0.300 . 1 . . . . 87 LEU CB . 11574 1 985 . 1 1 87 87 LEU CD1 C 13 26.154 0.300 . 2 . . . . 87 LEU CD1 . 11574 1 986 . 1 1 87 87 LEU CD2 C 13 25.141 0.300 . 2 . . . . 87 LEU CD2 . 11574 1 987 . 1 1 87 87 LEU CG C 13 26.963 0.300 . 1 . . . . 87 LEU CG . 11574 1 988 . 1 1 87 87 LEU N N 15 130.105 0.300 . 1 . . . . 87 LEU N . 11574 1 989 . 1 1 88 88 SER H H 1 8.161 0.030 . 1 . . . . 88 SER H . 11574 1 990 . 1 1 88 88 SER HA H 1 5.168 0.030 . 1 . . . . 88 SER HA . 11574 1 991 . 1 1 88 88 SER HB2 H 1 3.665 0.030 . 1 . . . . 88 SER HB2 . 11574 1 992 . 1 1 88 88 SER HB3 H 1 3.665 0.030 . 1 . . . . 88 SER HB3 . 11574 1 993 . 1 1 88 88 SER C C 13 174.356 0.300 . 1 . . . . 88 SER C . 11574 1 994 . 1 1 88 88 SER CA C 13 57.542 0.300 . 1 . . . . 88 SER CA . 11574 1 995 . 1 1 88 88 SER CB C 13 63.242 0.300 . 1 . . . . 88 SER CB . 11574 1 996 . 1 1 88 88 SER N N 15 118.341 0.300 . 1 . . . . 88 SER N . 11574 1 997 . 1 1 89 89 VAL H H 1 9.410 0.030 . 1 . . . . 89 VAL H . 11574 1 998 . 1 1 89 89 VAL HA H 1 5.303 0.030 . 1 . . . . 89 VAL HA . 11574 1 999 . 1 1 89 89 VAL HB H 1 1.865 0.030 . 1 . . . . 89 VAL HB . 11574 1 1000 . 1 1 89 89 VAL HG11 H 1 0.738 0.030 . 2 . . . . 89 VAL HG1 . 11574 1 1001 . 1 1 89 89 VAL HG12 H 1 0.738 0.030 . 2 . . . . 89 VAL HG1 . 11574 1 1002 . 1 1 89 89 VAL HG13 H 1 0.738 0.030 . 2 . . . . 89 VAL HG1 . 11574 1 1003 . 1 1 89 89 VAL HG21 H 1 0.704 0.030 . 2 . . . . 89 VAL HG2 . 11574 1 1004 . 1 1 89 89 VAL HG22 H 1 0.704 0.030 . 2 . . . . 89 VAL HG2 . 11574 1 1005 . 1 1 89 89 VAL HG23 H 1 0.704 0.030 . 2 . . . . 89 VAL HG2 . 11574 1 1006 . 1 1 89 89 VAL C C 13 173.864 0.300 . 1 . . . . 89 VAL C . 11574 1 1007 . 1 1 89 89 VAL CA C 13 59.739 0.300 . 1 . . . . 89 VAL CA . 11574 1 1008 . 1 1 89 89 VAL CB C 13 35.376 0.300 . 1 . . . . 89 VAL CB . 11574 1 1009 . 1 1 89 89 VAL CG1 C 13 21.993 0.300 . 2 . . . . 89 VAL CG1 . 11574 1 1010 . 1 1 89 89 VAL CG2 C 13 20.677 0.300 . 2 . . . . 89 VAL CG2 . 11574 1 1011 . 1 1 89 89 VAL N N 15 124.207 0.300 . 1 . . . . 89 VAL N . 11574 1 1012 . 1 1 90 90 TYR H H 1 9.244 0.030 . 1 . . . . 90 TYR H . 11574 1 1013 . 1 1 90 90 TYR HA H 1 5.314 0.030 . 1 . . . . 90 TYR HA . 11574 1 1014 . 1 1 90 90 TYR HB2 H 1 2.943 0.030 . 2 . . . . 90 TYR HB2 . 11574 1 1015 . 1 1 90 90 TYR HB3 H 1 2.903 0.030 . 2 . . . . 90 TYR HB3 . 11574 1 1016 . 1 1 90 90 TYR HD1 H 1 7.085 0.030 . 1 . . . . 90 TYR HD1 . 11574 1 1017 . 1 1 90 90 TYR HD2 H 1 7.085 0.030 . 1 . . . . 90 TYR HD2 . 11574 1 1018 . 1 1 90 90 TYR HE1 H 1 6.792 0.030 . 1 . . . . 90 TYR HE1 . 11574 1 1019 . 1 1 90 90 TYR HE2 H 1 6.792 0.030 . 1 . . . . 90 TYR HE2 . 11574 1 1020 . 1 1 90 90 TYR C C 13 175.172 0.300 . 1 . . . . 90 TYR C . 11574 1 1021 . 1 1 90 90 TYR CA C 13 56.100 0.300 . 1 . . . . 90 TYR CA . 11574 1 1022 . 1 1 90 90 TYR CB C 13 41.689 0.300 . 1 . . . . 90 TYR CB . 11574 1 1023 . 1 1 90 90 TYR CD1 C 13 133.063 0.300 . 1 . . . . 90 TYR CD1 . 11574 1 1024 . 1 1 90 90 TYR CD2 C 13 133.063 0.300 . 1 . . . . 90 TYR CD2 . 11574 1 1025 . 1 1 90 90 TYR CE1 C 13 118.178 0.300 . 1 . . . . 90 TYR CE1 . 11574 1 1026 . 1 1 90 90 TYR CE2 C 13 118.178 0.300 . 1 . . . . 90 TYR CE2 . 11574 1 1027 . 1 1 90 90 TYR N N 15 124.307 0.300 . 1 . . . . 90 TYR N . 11574 1 1028 . 1 1 91 91 SER H H 1 8.429 0.030 . 1 . . . . 91 SER H . 11574 1 1029 . 1 1 91 91 SER HA H 1 4.638 0.030 . 1 . . . . 91 SER HA . 11574 1 1030 . 1 1 91 91 SER HB2 H 1 3.803 0.030 . 2 . . . . 91 SER HB2 . 11574 1 1031 . 1 1 91 91 SER HB3 H 1 3.591 0.030 . 2 . . . . 91 SER HB3 . 11574 1 1032 . 1 1 91 91 SER C C 13 173.032 0.300 . 1 . . . . 91 SER C . 11574 1 1033 . 1 1 91 91 SER CA C 13 57.261 0.300 . 1 . . . . 91 SER CA . 11574 1 1034 . 1 1 91 91 SER CB C 13 64.327 0.300 . 1 . . . . 91 SER CB . 11574 1 1035 . 1 1 91 91 SER N N 15 124.646 0.300 . 1 . . . . 91 SER N . 11574 1 1036 . 1 1 92 92 ALA H H 1 8.329 0.030 . 1 . . . . 92 ALA H . 11574 1 1037 . 1 1 92 92 ALA HA H 1 4.154 0.030 . 1 . . . . 92 ALA HA . 11574 1 1038 . 1 1 92 92 ALA HB1 H 1 1.451 0.030 . 1 . . . . 92 ALA HB . 11574 1 1039 . 1 1 92 92 ALA HB2 H 1 1.451 0.030 . 1 . . . . 92 ALA HB . 11574 1 1040 . 1 1 92 92 ALA HB3 H 1 1.451 0.030 . 1 . . . . 92 ALA HB . 11574 1 1041 . 1 1 92 92 ALA C C 13 178.205 0.300 . 1 . . . . 92 ALA C . 11574 1 1042 . 1 1 92 92 ALA CA C 13 52.824 0.300 . 1 . . . . 92 ALA CA . 11574 1 1043 . 1 1 92 92 ALA CB C 13 19.314 0.300 . 1 . . . . 92 ALA CB . 11574 1 1044 . 1 1 92 92 ALA N N 15 127.152 0.300 . 1 . . . . 92 ALA N . 11574 1 1045 . 1 1 93 93 GLY H H 1 8.346 0.030 . 1 . . . . 93 GLY H . 11574 1 1046 . 1 1 93 93 GLY HA2 H 1 3.936 0.030 . 2 . . . . 93 GLY HA2 . 11574 1 1047 . 1 1 93 93 GLY HA3 H 1 3.863 0.030 . 2 . . . . 93 GLY HA3 . 11574 1 1048 . 1 1 93 93 GLY C C 13 173.817 0.300 . 1 . . . . 93 GLY C . 11574 1 1049 . 1 1 93 93 GLY CA C 13 45.272 0.300 . 1 . . . . 93 GLY CA . 11574 1 1050 . 1 1 93 93 GLY N N 15 107.667 0.300 . 1 . . . . 93 GLY N . 11574 1 1051 . 1 1 94 94 ARG H H 1 8.124 0.030 . 1 . . . . 94 ARG H . 11574 1 1052 . 1 1 94 94 ARG HA H 1 4.373 0.030 . 1 . . . . 94 ARG HA . 11574 1 1053 . 1 1 94 94 ARG HB2 H 1 1.723 0.030 . 2 . . . . 94 ARG HB2 . 11574 1 1054 . 1 1 94 94 ARG HB3 H 1 1.813 0.030 . 2 . . . . 94 ARG HB3 . 11574 1 1055 . 1 1 94 94 ARG HD2 H 1 3.144 0.030 . 1 . . . . 94 ARG HD2 . 11574 1 1056 . 1 1 94 94 ARG HD3 H 1 3.144 0.030 . 1 . . . . 94 ARG HD3 . 11574 1 1057 . 1 1 94 94 ARG HG2 H 1 1.566 0.030 . 2 . . . . 94 ARG HG2 . 11574 1 1058 . 1 1 94 94 ARG C C 13 176.265 0.300 . 1 . . . . 94 ARG C . 11574 1 1059 . 1 1 94 94 ARG CA C 13 55.979 0.300 . 1 . . . . 94 ARG CA . 11574 1 1060 . 1 1 94 94 ARG CB C 13 31.052 0.300 . 1 . . . . 94 ARG CB . 11574 1 1061 . 1 1 94 94 ARG CD C 13 43.372 0.300 . 1 . . . . 94 ARG CD . 11574 1 1062 . 1 1 94 94 ARG CG C 13 27.019 0.300 . 1 . . . . 94 ARG CG . 11574 1 1063 . 1 1 94 94 ARG N N 15 120.703 0.300 . 1 . . . . 94 ARG N . 11574 1 1064 . 1 1 95 95 ILE H H 1 8.284 0.030 . 1 . . . . 95 ILE H . 11574 1 1065 . 1 1 95 95 ILE HA H 1 4.233 0.030 . 1 . . . . 95 ILE HA . 11574 1 1066 . 1 1 95 95 ILE HB H 1 1.881 0.030 . 1 . . . . 95 ILE HB . 11574 1 1067 . 1 1 95 95 ILE HD11 H 1 0.853 0.030 . 1 . . . . 95 ILE HD1 . 11574 1 1068 . 1 1 95 95 ILE HD12 H 1 0.853 0.030 . 1 . . . . 95 ILE HD1 . 11574 1 1069 . 1 1 95 95 ILE HD13 H 1 0.853 0.030 . 1 . . . . 95 ILE HD1 . 11574 1 1070 . 1 1 95 95 ILE HG12 H 1 1.461 0.030 . 2 . . . . 95 ILE HG12 . 11574 1 1071 . 1 1 95 95 ILE HG13 H 1 1.183 0.030 . 2 . . . . 95 ILE HG13 . 11574 1 1072 . 1 1 95 95 ILE HG21 H 1 0.905 0.030 . 1 . . . . 95 ILE HG2 . 11574 1 1073 . 1 1 95 95 ILE HG22 H 1 0.905 0.030 . 1 . . . . 95 ILE HG2 . 11574 1 1074 . 1 1 95 95 ILE HG23 H 1 0.905 0.030 . 1 . . . . 95 ILE HG2 . 11574 1 1075 . 1 1 95 95 ILE CA C 13 61.074 0.300 . 1 . . . . 95 ILE CA . 11574 1 1076 . 1 1 95 95 ILE CB C 13 38.816 0.300 . 1 . . . . 95 ILE CB . 11574 1 1077 . 1 1 95 95 ILE CD1 C 13 12.898 0.300 . 1 . . . . 95 ILE CD1 . 11574 1 1078 . 1 1 95 95 ILE CG1 C 13 27.235 0.300 . 1 . . . . 95 ILE CG1 . 11574 1 1079 . 1 1 95 95 ILE CG2 C 13 17.541 0.300 . 1 . . . . 95 ILE CG2 . 11574 1 1080 . 1 1 95 95 ILE N N 15 122.644 0.300 . 1 . . . . 95 ILE N . 11574 1 1081 . 1 1 96 96 SER H H 1 8.403 0.030 . 1 . . . . 96 SER H . 11574 1 1082 . 1 1 96 96 SER HA H 1 4.524 0.030 . 1 . . . . 96 SER HA . 11574 1 1083 . 1 1 96 96 SER HB2 H 1 3.875 0.030 . 1 . . . . 96 SER HB2 . 11574 1 1084 . 1 1 96 96 SER HB3 H 1 3.875 0.030 . 1 . . . . 96 SER HB3 . 11574 1 1085 . 1 1 96 96 SER C C 13 174.418 0.300 . 1 . . . . 96 SER C . 11574 1 1086 . 1 1 96 96 SER CA C 13 58.141 0.300 . 1 . . . . 96 SER CA . 11574 1 1087 . 1 1 96 96 SER CB C 13 63.944 0.300 . 1 . . . . 96 SER CB . 11574 1 1088 . 1 1 96 96 SER N N 15 120.123 0.300 . 1 . . . . 96 SER N . 11574 1 1089 . 1 1 97 97 GLY H H 1 8.241 0.030 . 1 . . . . 97 GLY H . 11574 1 1090 . 1 1 97 97 GLY HA2 H 1 4.183 0.030 . 2 . . . . 97 GLY HA2 . 11574 1 1091 . 1 1 97 97 GLY HA3 H 1 4.111 0.030 . 2 . . . . 97 GLY HA3 . 11574 1 1092 . 1 1 97 97 GLY C C 13 171.693 0.300 . 1 . . . . 97 GLY C . 11574 1 1093 . 1 1 97 97 GLY CA C 13 44.685 0.300 . 1 . . . . 97 GLY CA . 11574 1 1094 . 1 1 97 97 GLY N N 15 110.852 0.300 . 1 . . . . 97 GLY N . 11574 1 1095 . 1 1 98 98 PRO HA H 1 4.493 0.030 . 1 . . . . 98 PRO HA . 11574 1 1096 . 1 1 98 98 PRO HB2 H 1 2.313 0.030 . 2 . . . . 98 PRO HB2 . 11574 1 1097 . 1 1 98 98 PRO HB3 H 1 1.990 0.030 . 2 . . . . 98 PRO HB3 . 11574 1 1098 . 1 1 98 98 PRO HD2 H 1 3.631 0.030 . 1 . . . . 98 PRO HD2 . 11574 1 1099 . 1 1 98 98 PRO HD3 H 1 3.631 0.030 . 1 . . . . 98 PRO HD3 . 11574 1 1100 . 1 1 98 98 PRO HG2 H 1 2.033 0.030 . 1 . . . . 98 PRO HG2 . 11574 1 1101 . 1 1 98 98 PRO HG3 H 1 2.033 0.030 . 1 . . . . 98 PRO HG3 . 11574 1 1102 . 1 1 98 98 PRO CA C 13 63.321 0.300 . 1 . . . . 98 PRO CA . 11574 1 1103 . 1 1 98 98 PRO CB C 13 32.249 0.300 . 1 . . . . 98 PRO CB . 11574 1 1104 . 1 1 98 98 PRO CD C 13 49.806 0.300 . 1 . . . . 98 PRO CD . 11574 1 1105 . 1 1 98 98 PRO CG C 13 27.159 0.300 . 1 . . . . 98 PRO CG . 11574 1 1106 . 1 1 99 99 SER H H 1 8.529 0.030 . 1 . . . . 99 SER H . 11574 1 1107 . 1 1 99 99 SER HA H 1 4.502 0.030 . 1 . . . . 99 SER HA . 11574 1 1108 . 1 1 99 99 SER HB2 H 1 3.912 0.030 . 1 . . . . 99 SER HB2 . 11574 1 1109 . 1 1 99 99 SER HB3 H 1 3.912 0.030 . 1 . . . . 99 SER HB3 . 11574 1 1110 . 1 1 99 99 SER C C 13 174.633 0.300 . 1 . . . . 99 SER C . 11574 1 1111 . 1 1 99 99 SER CA C 13 58.336 0.300 . 1 . . . . 99 SER CA . 11574 1 1112 . 1 1 99 99 SER CB C 13 63.752 0.300 . 1 . . . . 99 SER CB . 11574 1 1113 . 1 1 99 99 SER N N 15 116.355 0.300 . 1 . . . . 99 SER N . 11574 1 1114 . 1 1 100 100 SER H H 1 8.315 0.030 . 1 . . . . 100 SER H . 11574 1 1115 . 1 1 100 100 SER HA H 1 4.501 0.030 . 1 . . . . 100 SER HA . 11574 1 1116 . 1 1 100 100 SER HB2 H 1 3.865 0.030 . 1 . . . . 100 SER HB2 . 11574 1 1117 . 1 1 100 100 SER HB3 H 1 3.865 0.030 . 1 . . . . 100 SER HB3 . 11574 1 1118 . 1 1 100 100 SER CA C 13 58.332 0.300 . 1 . . . . 100 SER CA . 11574 1 1119 . 1 1 100 100 SER CB C 13 63.944 0.300 . 1 . . . . 100 SER CB . 11574 1 1120 . 1 1 100 100 SER N N 15 117.773 0.300 . 1 . . . . 100 SER N . 11574 1 1121 . 1 1 101 101 GLY H H 1 8.051 0.030 . 1 . . . . 101 GLY H . 11574 1 1122 . 1 1 101 101 GLY N N 15 116.865 0.300 . 1 . . . . 101 GLY N . 11574 1 stop_ save_