data_18711 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18711 _Entry.Title ; TBA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-12 _Entry.Accession_date 2012-09-12 _Entry.Last_release_date 2013-06-10 _Entry.Original_release_date 2013-06-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 R. Mueller . . . 18711 2 Thomas Kern . . . 18711 3 M. Graewert . . . 18711 4 T. Madl . . . 18711 5 J. Peschek . . . 18711 6 M. Groll . . . 18711 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . KernGroup . 18711 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 18711 'IMMUNOGLOBULIN CONSTANT REGION' . 18711 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18711 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 18711 '15N chemical shifts' 95 18711 '1H chemical shifts' 639 18711 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 . . 2013-06-10 2012-09-12 original author . 18711 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4BA8 'BMRB Entry Tracking System' 18711 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18711 _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 TBA _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 R. Mueller . . . 18711 1 2 Thomas Kern . . . 18711 1 3 M. Graewert . . . 18711 1 4 T. Madl . . . 18711 1 5 J. Peschek . . . 18711 1 6 M. Groll . . . 18711 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18711 _Assembly.ID 1 _Assembly.Name CH3CS _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 11252.8084 _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 CH3CS 1 $CH3CS A . yes native no no . . . 18711 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CH3CS _Entity.Sf_category entity _Entity.Sf_framecode CH3CS _Entity.Entry_ID 18711 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CH3CS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGDILTFTIPPSFADIFLSK SANLTCLVSNLATYETLNIS WASQSGEPLETKIKVMESHP NGTFSAKGVASVSVEDWNNR KEFVCTVTHRDLPSPQKKFI SK ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11252.8084 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 4BA8 . "High Resolution Nmr Structure Of The C Mu3 Domain From Igm" . . . . . 100.00 102 100.00 100.00 8.74e-68 . . . . 18711 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18711 1 2 . GLY . 18711 1 3 . ASP . 18711 1 4 . ILE . 18711 1 5 . LEU . 18711 1 6 . THR . 18711 1 7 . PHE . 18711 1 8 . THR . 18711 1 9 . ILE . 18711 1 10 . PRO . 18711 1 11 . PRO . 18711 1 12 . SER . 18711 1 13 . PHE . 18711 1 14 . ALA . 18711 1 15 . ASP . 18711 1 16 . ILE . 18711 1 17 . PHE . 18711 1 18 . LEU . 18711 1 19 . SER . 18711 1 20 . LYS . 18711 1 21 . SER . 18711 1 22 . ALA . 18711 1 23 . ASN . 18711 1 24 . LEU . 18711 1 25 . THR . 18711 1 26 . CYS . 18711 1 27 . LEU . 18711 1 28 . VAL . 18711 1 29 . SER . 18711 1 30 . ASN . 18711 1 31 . LEU . 18711 1 32 . ALA . 18711 1 33 . THR . 18711 1 34 . TYR . 18711 1 35 . GLU . 18711 1 36 . THR . 18711 1 37 . LEU . 18711 1 38 . ASN . 18711 1 39 . ILE . 18711 1 40 . SER . 18711 1 41 . TRP . 18711 1 42 . ALA . 18711 1 43 . SER . 18711 1 44 . GLN . 18711 1 45 . SER . 18711 1 46 . GLY . 18711 1 47 . GLU . 18711 1 48 . PRO . 18711 1 49 . LEU . 18711 1 50 . GLU . 18711 1 51 . THR . 18711 1 52 . LYS . 18711 1 53 . ILE . 18711 1 54 . LYS . 18711 1 55 . VAL . 18711 1 56 . MET . 18711 1 57 . GLU . 18711 1 58 . SER . 18711 1 59 . HIS . 18711 1 60 . PRO . 18711 1 61 . ASN . 18711 1 62 . GLY . 18711 1 63 . THR . 18711 1 64 . PHE . 18711 1 65 . SER . 18711 1 66 . ALA . 18711 1 67 . LYS . 18711 1 68 . GLY . 18711 1 69 . VAL . 18711 1 70 . ALA . 18711 1 71 . SER . 18711 1 72 . VAL . 18711 1 73 . SER . 18711 1 74 . VAL . 18711 1 75 . GLU . 18711 1 76 . ASP . 18711 1 77 . TRP . 18711 1 78 . ASN . 18711 1 79 . ASN . 18711 1 80 . ARG . 18711 1 81 . LYS . 18711 1 82 . GLU . 18711 1 83 . PHE . 18711 1 84 . VAL . 18711 1 85 . CYS . 18711 1 86 . THR . 18711 1 87 . VAL . 18711 1 88 . THR . 18711 1 89 . HIS . 18711 1 90 . ARG . 18711 1 91 . ASP . 18711 1 92 . LEU . 18711 1 93 . PRO . 18711 1 94 . SER . 18711 1 95 . PRO . 18711 1 96 . GLN . 18711 1 97 . LYS . 18711 1 98 . LYS . 18711 1 99 . PHE . 18711 1 100 . ILE . 18711 1 101 . SER . 18711 1 102 . LYS . 18711 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18711 1 . GLY 2 2 18711 1 . ASP 3 3 18711 1 . ILE 4 4 18711 1 . LEU 5 5 18711 1 . THR 6 6 18711 1 . PHE 7 7 18711 1 . THR 8 8 18711 1 . ILE 9 9 18711 1 . PRO 10 10 18711 1 . PRO 11 11 18711 1 . SER 12 12 18711 1 . PHE 13 13 18711 1 . ALA 14 14 18711 1 . ASP 15 15 18711 1 . ILE 16 16 18711 1 . PHE 17 17 18711 1 . LEU 18 18 18711 1 . SER 19 19 18711 1 . LYS 20 20 18711 1 . SER 21 21 18711 1 . ALA 22 22 18711 1 . ASN 23 23 18711 1 . LEU 24 24 18711 1 . THR 25 25 18711 1 . CYS 26 26 18711 1 . LEU 27 27 18711 1 . VAL 28 28 18711 1 . SER 29 29 18711 1 . ASN 30 30 18711 1 . LEU 31 31 18711 1 . ALA 32 32 18711 1 . THR 33 33 18711 1 . TYR 34 34 18711 1 . GLU 35 35 18711 1 . THR 36 36 18711 1 . LEU 37 37 18711 1 . ASN 38 38 18711 1 . ILE 39 39 18711 1 . SER 40 40 18711 1 . TRP 41 41 18711 1 . ALA 42 42 18711 1 . SER 43 43 18711 1 . GLN 44 44 18711 1 . SER 45 45 18711 1 . GLY 46 46 18711 1 . GLU 47 47 18711 1 . PRO 48 48 18711 1 . LEU 49 49 18711 1 . GLU 50 50 18711 1 . THR 51 51 18711 1 . LYS 52 52 18711 1 . ILE 53 53 18711 1 . LYS 54 54 18711 1 . VAL 55 55 18711 1 . MET 56 56 18711 1 . GLU 57 57 18711 1 . SER 58 58 18711 1 . HIS 59 59 18711 1 . PRO 60 60 18711 1 . ASN 61 61 18711 1 . GLY 62 62 18711 1 . THR 63 63 18711 1 . PHE 64 64 18711 1 . SER 65 65 18711 1 . ALA 66 66 18711 1 . LYS 67 67 18711 1 . GLY 68 68 18711 1 . VAL 69 69 18711 1 . ALA 70 70 18711 1 . SER 71 71 18711 1 . VAL 72 72 18711 1 . SER 73 73 18711 1 . VAL 74 74 18711 1 . GLU 75 75 18711 1 . ASP 76 76 18711 1 . TRP 77 77 18711 1 . ASN 78 78 18711 1 . ASN 79 79 18711 1 . ARG 80 80 18711 1 . LYS 81 81 18711 1 . GLU 82 82 18711 1 . PHE 83 83 18711 1 . VAL 84 84 18711 1 . CYS 85 85 18711 1 . THR 86 86 18711 1 . VAL 87 87 18711 1 . THR 88 88 18711 1 . HIS 89 89 18711 1 . ARG 90 90 18711 1 . ASP 91 91 18711 1 . LEU 92 92 18711 1 . PRO 93 93 18711 1 . SER 94 94 18711 1 . PRO 95 95 18711 1 . GLN 96 96 18711 1 . LYS 97 97 18711 1 . LYS 98 98 18711 1 . PHE 99 99 18711 1 . ILE 100 100 18711 1 . SER 101 101 18711 1 . LYS 102 102 18711 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 18711 _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 $CH3CS . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18711 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 18711 _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 $CH3CS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 18711 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_new_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_new_1 _Sample.Entry_ID 18711 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'C mu3 0.3mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90%H20/10% D20, 20MM PHOSHATE BUFFER, 50MM NACL' _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 CH3CS '[U-13C; U-15N]' . . 1 $CH3CS . . 0.3 . . mM . . . . 18711 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_new_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_new_1 _Sample_condition_list.Entry_ID 18711 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.8], temp [298.0], pressure [0.0], ionStrength [50.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50.000 . mM 18711 1 pH 6.800 . pH 18711 1 pressure 1 . atm 18711 1 temperature 298.000 . K 18711 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18711 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18711 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18711 1 stop_ save_ save_CCPNMR_ANALYSIS _Software.Sf_category software _Software.Sf_framecode CCPNMR_ANALYSIS _Software.Entry_ID 18711 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 2. _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18711 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18711 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18711 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18711 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18711 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18711 _Software.ID 4 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18711 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18711 4 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 18711 _Software.ID 5 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18711 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18711 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18711 _Software.ID 6 _Software.Name SPARKY _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18711 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18711 6 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18711 _Software.ID 7 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18711 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18711 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_BRUKER_AVANCE-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER_AVANCE-600 _NMR_spectrometer.Entry_ID 18711 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18711 _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 BRUKER_AVANCE-600 BRUKER AVANCE . 600 . . . 18711 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 18711 _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 '15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-600 . . . . . . . . . . . . . . . . 18711 1 2 '13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-600 . . . . . . . . . . . . . . . . 18711 1 3 '15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-600 . . . . . . . . . . . . . . . . 18711 1 4 '13C NOESY ALIPHATICS' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-600 . . . . . . . . . . . . . . . . 18711 1 5 '13C NOESY AROMATICS' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_new_1 solution . . 1 $sample_conditions_new_1 . . . 1 $BRUKER_AVANCE-600 . . . . . . . . . . . . . . . . 18711 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18711 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $BRUKER_AVANCE-600 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18711 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18711 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18711 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18711 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18711 _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_new_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 'Origin xeasy file /ms/data1/tkern/projects/CH3CS/Cyana/runPDB/hCH.prot' _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 '15N HSQC' . . . 18711 1 2 '13C HSQC' . . . 18711 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 3 3 ASP H H 1 8.309 0.020 . 1 . 2 . . 3 ASP H . 18711 1 2 . 1 1 3 3 ASP HA H 1 4.732 0.020 . 1 . 4 . . 3 ASP HA . 18711 1 3 . 1 1 3 3 ASP HB2 H 1 2.664 0.020 . 2 . 6 . . 3 ASP HB2 . 18711 1 4 . 1 1 3 3 ASP HB3 H 1 2.436 0.020 . 2 . 7 . . 3 ASP HB3 . 18711 1 5 . 1 1 3 3 ASP CA C 13 54.527 0.200 . 1 . 3 . . 3 ASP CA . 18711 1 6 . 1 1 3 3 ASP CB C 13 41.885 0.023 . 1 . 5 . . 3 ASP CB . 18711 1 7 . 1 1 3 3 ASP N N 15 120.200 0.200 . 1 . 1 . . 3 ASP N . 18711 1 8 . 1 1 4 4 ILE H H 1 8.172 0.018 . 1 . 9 . . 4 ILE H . 18711 1 9 . 1 1 4 4 ILE HA H 1 3.971 0.049 . 1 . 11 . . 4 ILE HA . 18711 1 10 . 1 1 4 4 ILE HB H 1 1.453 0.011 . 1 . 13 . . 4 ILE HB . 18711 1 11 . 1 1 4 4 ILE HG12 H 1 1.667 0.015 . 2 . 17 . . 4 ILE HG12 . 18711 1 12 . 1 1 4 4 ILE HG13 H 1 0.678 0.020 . 2 . 18 . . 4 ILE HG13 . 18711 1 13 . 1 1 4 4 ILE HG21 H 1 0.657 0.006 . 1 . 14 . . 4 ILE HG21 . 18711 1 14 . 1 1 4 4 ILE HG22 H 1 0.657 0.006 . 1 . 14 . . 4 ILE HG22 . 18711 1 15 . 1 1 4 4 ILE HG23 H 1 0.657 0.006 . 1 . 14 . . 4 ILE HG23 . 18711 1 16 . 1 1 4 4 ILE HD11 H 1 0.467 0.008 . 1 . 19 . . 4 ILE HD11 . 18711 1 17 . 1 1 4 4 ILE HD12 H 1 0.467 0.008 . 1 . 19 . . 4 ILE HD12 . 18711 1 18 . 1 1 4 4 ILE HD13 H 1 0.467 0.008 . 1 . 19 . . 4 ILE HD13 . 18711 1 19 . 1 1 4 4 ILE CA C 13 63.472 0.197 . 1 . 10 . . 4 ILE CA . 18711 1 20 . 1 1 4 4 ILE CB C 13 38.968 0.180 . 1 . 12 . . 4 ILE CB . 18711 1 21 . 1 1 4 4 ILE CG1 C 13 29.239 0.108 . 1 . 16 . . 4 ILE CG1 . 18711 1 22 . 1 1 4 4 ILE CG2 C 13 17.399 0.200 . 1 . 15 . . 4 ILE CG2 . 18711 1 23 . 1 1 4 4 ILE CD1 C 13 14.195 0.147 . 1 . 20 . . 4 ILE CD1 . 18711 1 24 . 1 1 4 4 ILE N N 15 123.261 0.021 . 1 . 8 . . 4 ILE N . 18711 1 25 . 1 1 5 5 LEU H H 1 7.773 0.041 . 1 . 22 . . 5 LEU H . 18711 1 26 . 1 1 5 5 LEU HA H 1 4.701 0.008 . 1 . 24 . . 5 LEU HA . 18711 1 27 . 1 1 5 5 LEU HB2 H 1 1.604 0.020 . 2 . 26 . . 5 LEU HB2 . 18711 1 28 . 1 1 5 5 LEU HB3 H 1 1.279 0.020 . 2 . 27 . . 5 LEU HB3 . 18711 1 29 . 1 1 5 5 LEU HG H 1 1.594 0.020 . 1 . 29 . . 5 LEU HG . 18711 1 30 . 1 1 5 5 LEU HD11 H 1 0.928 0.020 . 2 . 30 . . 5 LEU HD11 . 18711 1 31 . 1 1 5 5 LEU HD12 H 1 0.928 0.020 . 2 . 30 . . 5 LEU HD12 . 18711 1 32 . 1 1 5 5 LEU HD13 H 1 0.928 0.020 . 2 . 30 . . 5 LEU HD13 . 18711 1 33 . 1 1 5 5 LEU HD21 H 1 0.818 0.020 . 2 . 31 . . 5 LEU HD21 . 18711 1 34 . 1 1 5 5 LEU HD22 H 1 0.818 0.020 . 2 . 31 . . 5 LEU HD22 . 18711 1 35 . 1 1 5 5 LEU HD23 H 1 0.818 0.020 . 2 . 31 . . 5 LEU HD23 . 18711 1 36 . 1 1 5 5 LEU CA C 13 53.915 0.200 . 1 . 23 . . 5 LEU CA . 18711 1 37 . 1 1 5 5 LEU CB C 13 45.474 0.072 . 1 . 25 . . 5 LEU CB . 18711 1 38 . 1 1 5 5 LEU CG C 13 26.752 0.368 . 1 . 28 . . 5 LEU CG . 18711 1 39 . 1 1 5 5 LEU CD1 C 13 25.541 0.108 . 2 . 32 . . 5 LEU CD1 . 18711 1 40 . 1 1 5 5 LEU CD2 C 13 23.835 0.055 . 2 . 33 . . 5 LEU CD2 . 18711 1 41 . 1 1 5 5 LEU N N 15 129.330 0.031 . 1 . 21 . . 5 LEU N . 18711 1 42 . 1 1 6 6 THR H H 1 7.782 0.017 . 1 . 35 . . 6 THR H . 18711 1 43 . 1 1 6 6 THR HA H 1 5.389 0.002 . 1 . 37 . . 6 THR HA . 18711 1 44 . 1 1 6 6 THR HB H 1 3.579 0.021 . 1 . 39 . . 6 THR HB . 18711 1 45 . 1 1 6 6 THR HG21 H 1 0.908 0.008 . 1 . 40 . . 6 THR HG21 . 18711 1 46 . 1 1 6 6 THR HG22 H 1 0.908 0.008 . 1 . 40 . . 6 THR HG22 . 18711 1 47 . 1 1 6 6 THR HG23 H 1 0.908 0.008 . 1 . 40 . . 6 THR HG23 . 18711 1 48 . 1 1 6 6 THR CA C 13 61.119 0.072 . 1 . 36 . . 6 THR CA . 18711 1 49 . 1 1 6 6 THR CB C 13 71.424 0.103 . 1 . 38 . . 6 THR CB . 18711 1 50 . 1 1 6 6 THR CG2 C 13 23.182 0.020 . 1 . 41 . . 6 THR CG2 . 18711 1 51 . 1 1 6 6 THR N N 15 116.088 0.117 . 1 . 34 . . 6 THR N . 18711 1 52 . 1 1 7 7 PHE H H 1 9.393 0.012 . 1 . 43 . . 7 PHE H . 18711 1 53 . 1 1 7 7 PHE HA H 1 5.008 0.003 . 1 . 45 . . 7 PHE HA . 18711 1 54 . 1 1 7 7 PHE HB2 H 1 3.264 0.015 . 2 . 47 . . 7 PHE HB2 . 18711 1 55 . 1 1 7 7 PHE HB3 H 1 2.849 0.021 . 2 . 48 . . 7 PHE HB3 . 18711 1 56 . 1 1 7 7 PHE CA C 13 56.452 0.160 . 1 . 44 . . 7 PHE CA . 18711 1 57 . 1 1 7 7 PHE CB C 13 43.021 0.234 . 1 . 46 . . 7 PHE CB . 18711 1 58 . 1 1 7 7 PHE N N 15 122.217 0.039 . 1 . 42 . . 7 PHE N . 18711 1 59 . 1 1 8 8 THR H H 1 8.787 0.020 . 1 . 50 . . 8 THR H . 18711 1 60 . 1 1 8 8 THR HA H 1 5.355 0.002 . 1 . 52 . . 8 THR HA . 18711 1 61 . 1 1 8 8 THR HB H 1 4.324 0.001 . 1 . 54 . . 8 THR HB . 18711 1 62 . 1 1 8 8 THR HG21 H 1 1.102 0.028 . 1 . 55 . . 8 THR HG21 . 18711 1 63 . 1 1 8 8 THR HG22 H 1 1.102 0.028 . 1 . 55 . . 8 THR HG22 . 18711 1 64 . 1 1 8 8 THR HG23 H 1 1.102 0.028 . 1 . 55 . . 8 THR HG23 . 18711 1 65 . 1 1 8 8 THR CA C 13 59.408 0.093 . 1 . 51 . . 8 THR CA . 18711 1 66 . 1 1 8 8 THR CB C 13 71.169 0.140 . 1 . 53 . . 8 THR CB . 18711 1 67 . 1 1 8 8 THR CG2 C 13 24.468 0.071 . 1 . 56 . . 8 THR CG2 . 18711 1 68 . 1 1 8 8 THR N N 15 111.047 0.025 . 1 . 49 . . 8 THR N . 18711 1 69 . 1 1 9 9 ILE H H 1 8.912 0.025 . 1 . 58 . . 9 ILE H . 18711 1 70 . 1 1 9 9 ILE HB H 1 1.719 0.016 . 1 . 61 . . 9 ILE HB . 18711 1 71 . 1 1 9 9 ILE HG12 H 1 1.431 0.005 . 2 . 65 . . 9 ILE HG12 . 18711 1 72 . 1 1 9 9 ILE HG13 H 1 1.166 0.020 . 2 . 66 . . 9 ILE HG13 . 18711 1 73 . 1 1 9 9 ILE HG21 H 1 1.082 0.013 . 1 . 62 . . 9 ILE HG21 . 18711 1 74 . 1 1 9 9 ILE HG22 H 1 1.082 0.013 . 1 . 62 . . 9 ILE HG22 . 18711 1 75 . 1 1 9 9 ILE HG23 H 1 1.082 0.013 . 1 . 62 . . 9 ILE HG23 . 18711 1 76 . 1 1 9 9 ILE HD11 H 1 0.842 0.006 . 1 . 67 . . 9 ILE HD11 . 18711 1 77 . 1 1 9 9 ILE HD12 H 1 0.842 0.006 . 1 . 67 . . 9 ILE HD12 . 18711 1 78 . 1 1 9 9 ILE HD13 H 1 0.842 0.006 . 1 . 67 . . 9 ILE HD13 . 18711 1 79 . 1 1 9 9 ILE CA C 13 58.109 0.200 . 1 . 59 . . 9 ILE CA . 18711 1 80 . 1 1 9 9 ILE CB C 13 41.897 0.045 . 1 . 60 . . 9 ILE CB . 18711 1 81 . 1 1 9 9 ILE CG1 C 13 27.804 0.161 . 1 . 64 . . 9 ILE CG1 . 18711 1 82 . 1 1 9 9 ILE CG2 C 13 17.273 0.012 . 1 . 63 . . 9 ILE CG2 . 18711 1 83 . 1 1 9 9 ILE CD1 C 13 14.164 0.022 . 1 . 68 . . 9 ILE CD1 . 18711 1 84 . 1 1 9 9 ILE N N 15 123.802 0.060 . 1 . 57 . . 9 ILE N . 18711 1 85 . 1 1 10 10 PRO HB2 H 1 2.629 0.020 . 2 . 72 . . 10 PRO HB2 . 18711 1 86 . 1 1 10 10 PRO HB3 H 1 2.194 0.020 . 2 . 73 . . 10 PRO HB3 . 18711 1 87 . 1 1 10 10 PRO HG2 H 1 2.295 0.020 . 2 . 75 . . 10 PRO HG2 . 18711 1 88 . 1 1 10 10 PRO HG3 H 1 2.083 0.001 . 2 . 76 . . 10 PRO HG3 . 18711 1 89 . 1 1 10 10 PRO HD2 H 1 3.974 0.020 . 1 . 77 . . 10 PRO HD2 . 18711 1 90 . 1 1 10 10 PRO HD3 H 1 3.974 0.020 . 1 . 889 . . 10 PRO HD3 . 18711 1 91 . 1 1 10 10 PRO CA C 13 61.570 0.200 . 1 . 70 . . 10 PRO CA . 18711 1 92 . 1 1 10 10 PRO CB C 13 32.001 0.200 . 1 . 71 . . 10 PRO CB . 18711 1 93 . 1 1 10 10 PRO CG C 13 26.553 0.200 . 1 . 74 . . 10 PRO CG . 18711 1 94 . 1 1 10 10 PRO CD C 13 51.960 0.200 . 1 . 69 . . 10 PRO CD . 18711 1 95 . 1 1 11 11 PRO HA H 1 4.413 0.014 . 1 . 80 . . 11 PRO HA . 18711 1 96 . 1 1 11 11 PRO HB2 H 1 1.986 0.005 . 2 . 82 . . 11 PRO HB2 . 18711 1 97 . 1 1 11 11 PRO HB3 H 1 1.401 0.026 . 2 . 83 . . 11 PRO HB3 . 18711 1 98 . 1 1 11 11 PRO HG2 H 1 0.647 0.028 . 2 . 85 . . 11 PRO HG2 . 18711 1 99 . 1 1 11 11 PRO HG3 H 1 0.493 0.010 . 2 . 86 . . 11 PRO HG3 . 18711 1 100 . 1 1 11 11 PRO HD2 H 1 2.643 0.027 . 2 . 87 . . 11 PRO HD2 . 18711 1 101 . 1 1 11 11 PRO HD3 H 1 2.563 0.020 . 2 . 88 . . 11 PRO HD3 . 18711 1 102 . 1 1 11 11 PRO CA C 13 62.065 0.191 . 1 . 79 . . 11 PRO CA . 18711 1 103 . 1 1 11 11 PRO CB C 13 32.159 0.148 . 1 . 81 . . 11 PRO CB . 18711 1 104 . 1 1 11 11 PRO CG C 13 26.379 0.069 . 1 . 84 . . 11 PRO CG . 18711 1 105 . 1 1 11 11 PRO CD C 13 49.824 0.042 . 1 . 78 . . 11 PRO CD . 18711 1 106 . 1 1 12 12 SER H H 1 8.741 0.010 . 1 . 90 . . 12 SER H . 18711 1 107 . 1 1 12 12 SER HA H 1 4.501 0.002 . 1 . 92 . . 12 SER HA . 18711 1 108 . 1 1 12 12 SER HB2 H 1 4.162 0.020 . 2 . 94 . . 12 SER HB2 . 18711 1 109 . 1 1 12 12 SER HB3 H 1 3.938 0.007 . 2 . 95 . . 12 SER HB3 . 18711 1 110 . 1 1 12 12 SER CA C 13 57.150 0.059 . 1 . 91 . . 12 SER CA . 18711 1 111 . 1 1 12 12 SER CB C 13 65.294 0.093 . 1 . 93 . . 12 SER CB . 18711 1 112 . 1 1 12 12 SER N N 15 117.650 0.060 . 1 . 89 . . 12 SER N . 18711 1 113 . 1 1 13 13 PHE H H 1 8.761 0.009 . 1 . 97 . . 13 PHE H . 18711 1 114 . 1 1 13 13 PHE HA H 1 4.310 0.002 . 1 . 99 . . 13 PHE HA . 18711 1 115 . 1 1 13 13 PHE HB2 H 1 3.190 0.002 . 2 . 101 . . 13 PHE HB2 . 18711 1 116 . 1 1 13 13 PHE HB3 H 1 3.120 0.020 . 2 . 102 . . 13 PHE HB3 . 18711 1 117 . 1 1 13 13 PHE CA C 13 61.183 0.046 . 1 . 98 . . 13 PHE CA . 18711 1 118 . 1 1 13 13 PHE CB C 13 39.093 0.008 . 1 . 100 . . 13 PHE CB . 18711 1 119 . 1 1 13 13 PHE N N 15 122.596 0.076 . 1 . 96 . . 13 PHE N . 18711 1 120 . 1 1 14 14 ALA H H 1 8.336 0.005 . 1 . 104 . . 14 ALA H . 18711 1 121 . 1 1 14 14 ALA HA H 1 4.078 0.020 . 1 . 106 . . 14 ALA HA . 18711 1 122 . 1 1 14 14 ALA HB1 H 1 1.402 0.020 . 1 . 107 . . 14 ALA HB1 . 18711 1 123 . 1 1 14 14 ALA HB2 H 1 1.402 0.020 . 1 . 107 . . 14 ALA HB2 . 18711 1 124 . 1 1 14 14 ALA HB3 H 1 1.402 0.020 . 1 . 107 . . 14 ALA HB3 . 18711 1 125 . 1 1 14 14 ALA CA C 13 54.903 0.153 . 1 . 105 . . 14 ALA CA . 18711 1 126 . 1 1 14 14 ALA CB C 13 18.750 0.022 . 1 . 108 . . 14 ALA CB . 18711 1 127 . 1 1 14 14 ALA N N 15 120.884 0.049 . 1 . 103 . . 14 ALA N . 18711 1 128 . 1 1 15 15 ASP H H 1 7.734 0.005 . 1 . 110 . . 15 ASP H . 18711 1 129 . 1 1 15 15 ASP HA H 1 4.410 0.020 . 1 . 112 . . 15 ASP HA . 18711 1 130 . 1 1 15 15 ASP HB2 H 1 2.800 0.020 . 1 . 114 . . 15 ASP HB2 . 18711 1 131 . 1 1 15 15 ASP HB3 H 1 2.800 0.020 . 1 . 890 . . 15 ASP HB3 . 18711 1 132 . 1 1 15 15 ASP CA C 13 56.861 0.038 . 1 . 111 . . 15 ASP CA . 18711 1 133 . 1 1 15 15 ASP CB C 13 41.424 0.015 . 1 . 113 . . 15 ASP CB . 18711 1 134 . 1 1 15 15 ASP N N 15 117.921 0.027 . 1 . 109 . . 15 ASP N . 18711 1 135 . 1 1 16 16 ILE H H 1 7.669 0.018 . 1 . 116 . . 16 ILE H . 18711 1 136 . 1 1 16 16 ILE HA H 1 3.856 0.022 . 1 . 118 . . 16 ILE HA . 18711 1 137 . 1 1 16 16 ILE HB H 1 1.792 0.006 . 1 . 120 . . 16 ILE HB . 18711 1 138 . 1 1 16 16 ILE HG12 H 1 1.416 0.006 . 2 . 124 . . 16 ILE HG12 . 18711 1 139 . 1 1 16 16 ILE HG13 H 1 0.972 0.031 . 2 . 125 . . 16 ILE HG13 . 18711 1 140 . 1 1 16 16 ILE HG21 H 1 0.647 0.001 . 1 . 121 . . 16 ILE HG21 . 18711 1 141 . 1 1 16 16 ILE HG22 H 1 0.647 0.001 . 1 . 121 . . 16 ILE HG22 . 18711 1 142 . 1 1 16 16 ILE HG23 H 1 0.647 0.001 . 1 . 121 . . 16 ILE HG23 . 18711 1 143 . 1 1 16 16 ILE HD11 H 1 0.667 0.001 . 1 . 126 . . 16 ILE HD11 . 18711 1 144 . 1 1 16 16 ILE HD12 H 1 0.667 0.001 . 1 . 126 . . 16 ILE HD12 . 18711 1 145 . 1 1 16 16 ILE HD13 H 1 0.667 0.001 . 1 . 126 . . 16 ILE HD13 . 18711 1 146 . 1 1 16 16 ILE CA C 13 63.491 0.092 . 1 . 117 . . 16 ILE CA . 18711 1 147 . 1 1 16 16 ILE CB C 13 38.461 0.042 . 1 . 119 . . 16 ILE CB . 18711 1 148 . 1 1 16 16 ILE CG1 C 13 28.166 0.085 . 1 . 123 . . 16 ILE CG1 . 18711 1 149 . 1 1 16 16 ILE CG2 C 13 17.810 0.032 . 1 . 122 . . 16 ILE CG2 . 18711 1 150 . 1 1 16 16 ILE CD1 C 13 13.553 0.102 . 1 . 127 . . 16 ILE CD1 . 18711 1 151 . 1 1 16 16 ILE N N 15 118.424 0.024 . 1 . 115 . . 16 ILE N . 18711 1 152 . 1 1 17 17 PHE H H 1 8.112 0.046 . 1 . 129 . . 17 PHE H . 18711 1 153 . 1 1 17 17 PHE HA H 1 4.273 0.002 . 1 . 131 . . 17 PHE HA . 18711 1 154 . 1 1 17 17 PHE HB2 H 1 2.918 0.004 . 2 . 133 . . 17 PHE HB2 . 18711 1 155 . 1 1 17 17 PHE HB3 H 1 2.772 0.001 . 2 . 134 . . 17 PHE HB3 . 18711 1 156 . 1 1 17 17 PHE CA C 13 60.301 0.112 . 1 . 130 . . 17 PHE CA . 18711 1 157 . 1 1 17 17 PHE CB C 13 39.467 0.038 . 1 . 132 . . 17 PHE CB . 18711 1 158 . 1 1 17 17 PHE N N 15 119.858 0.012 . 1 . 128 . . 17 PHE N . 18711 1 159 . 1 1 18 18 LEU H H 1 8.029 0.039 . 1 . 136 . . 18 LEU H . 18711 1 160 . 1 1 18 18 LEU HA H 1 4.236 0.005 . 1 . 138 . . 18 LEU HA . 18711 1 161 . 1 1 18 18 LEU HB2 H 1 1.806 0.009 . 2 . 140 . . 18 LEU HB2 . 18711 1 162 . 1 1 18 18 LEU HB3 H 1 1.594 0.003 . 2 . 141 . . 18 LEU HB3 . 18711 1 163 . 1 1 18 18 LEU HG H 1 1.533 0.020 . 1 . 143 . . 18 LEU HG . 18711 1 164 . 1 1 18 18 LEU HD11 H 1 0.891 0.011 . 2 . 144 . . 18 LEU HD11 . 18711 1 165 . 1 1 18 18 LEU HD12 H 1 0.891 0.011 . 2 . 144 . . 18 LEU HD12 . 18711 1 166 . 1 1 18 18 LEU HD13 H 1 0.891 0.011 . 2 . 144 . . 18 LEU HD13 . 18711 1 167 . 1 1 18 18 LEU HD21 H 1 0.842 0.010 . 2 . 145 . . 18 LEU HD21 . 18711 1 168 . 1 1 18 18 LEU HD22 H 1 0.842 0.010 . 2 . 145 . . 18 LEU HD22 . 18711 1 169 . 1 1 18 18 LEU HD23 H 1 0.842 0.010 . 2 . 145 . . 18 LEU HD23 . 18711 1 170 . 1 1 18 18 LEU CA C 13 56.435 0.113 . 1 . 137 . . 18 LEU CA . 18711 1 171 . 1 1 18 18 LEU CB C 13 42.621 0.050 . 1 . 139 . . 18 LEU CB . 18711 1 172 . 1 1 18 18 LEU CG C 13 27.163 0.237 . 1 . 142 . . 18 LEU CG . 18711 1 173 . 1 1 18 18 LEU CD1 C 13 25.262 0.193 . 2 . 146 . . 18 LEU CD1 . 18711 1 174 . 1 1 18 18 LEU CD2 C 13 23.566 0.089 . 2 . 147 . . 18 LEU CD2 . 18711 1 175 . 1 1 18 18 LEU N N 15 118.630 0.027 . 1 . 135 . . 18 LEU N . 18711 1 176 . 1 1 19 19 SER H H 1 7.949 0.024 . 1 . 149 . . 19 SER H . 18711 1 177 . 1 1 19 19 SER HA H 1 4.423 0.020 . 1 . 151 . . 19 SER HA . 18711 1 178 . 1 1 19 19 SER HB2 H 1 3.931 0.020 . 1 . 891 . . 19 SER HB2 . 18711 1 179 . 1 1 19 19 SER HB3 H 1 3.931 0.020 . 1 . 153 . . 19 SER HB3 . 18711 1 180 . 1 1 19 19 SER CA C 13 58.870 0.105 . 1 . 150 . . 19 SER CA . 18711 1 181 . 1 1 19 19 SER CB C 13 64.586 0.039 . 1 . 152 . . 19 SER CB . 18711 1 182 . 1 1 19 19 SER N N 15 113.426 0.098 . 1 . 148 . . 19 SER N . 18711 1 183 . 1 1 20 20 LYS H H 1 8.163 0.001 . 1 . 155 . . 20 LYS H . 18711 1 184 . 1 1 20 20 LYS HA H 1 4.153 0.033 . 1 . 157 . . 20 LYS HA . 18711 1 185 . 1 1 20 20 LYS HB2 H 1 1.919 0.022 . 1 . 892 . . 20 LYS HB2 . 18711 1 186 . 1 1 20 20 LYS HB3 H 1 1.919 0.022 . 1 . 159 . . 20 LYS HB3 . 18711 1 187 . 1 1 20 20 LYS HG2 H 1 1.366 0.020 . 1 . 895 . . 20 LYS HG2 . 18711 1 188 . 1 1 20 20 LYS HG3 H 1 1.366 0.020 . 1 . 161 . . 20 LYS HG3 . 18711 1 189 . 1 1 20 20 LYS HD2 H 1 1.639 0.016 . 1 . 893 . . 20 LYS HD2 . 18711 1 190 . 1 1 20 20 LYS HD3 H 1 1.639 0.016 . 1 . 163 . . 20 LYS HD3 . 18711 1 191 . 1 1 20 20 LYS HE2 H 1 2.945 0.001 . 1 . 894 . . 20 LYS HE2 . 18711 1 192 . 1 1 20 20 LYS HE3 H 1 2.945 0.001 . 1 . 165 . . 20 LYS HE3 . 18711 1 193 . 1 1 20 20 LYS CA C 13 57.291 0.129 . 1 . 156 . . 20 LYS CA . 18711 1 194 . 1 1 20 20 LYS CB C 13 31.248 0.239 . 1 . 158 . . 20 LYS CB . 18711 1 195 . 1 1 20 20 LYS CG C 13 25.234 0.147 . 1 . 160 . . 20 LYS CG . 18711 1 196 . 1 1 20 20 LYS CD C 13 29.244 0.092 . 1 . 162 . . 20 LYS CD . 18711 1 197 . 1 1 20 20 LYS CE C 13 42.709 0.001 . 1 . 164 . . 20 LYS CE . 18711 1 198 . 1 1 20 20 LYS N N 15 118.625 0.107 . 1 . 154 . . 20 LYS N . 18711 1 199 . 1 1 21 21 SER H H 1 7.934 0.005 . 1 . 167 . . 21 SER H . 18711 1 200 . 1 1 21 21 SER HA H 1 4.748 0.006 . 1 . 169 . . 21 SER HA . 18711 1 201 . 1 1 21 21 SER HB2 H 1 3.552 0.020 . 2 . 171 . . 21 SER HB2 . 18711 1 202 . 1 1 21 21 SER HB3 H 1 3.475 0.020 . 2 . 172 . . 21 SER HB3 . 18711 1 203 . 1 1 21 21 SER CA C 13 57.598 0.200 . 1 . 168 . . 21 SER CA . 18711 1 204 . 1 1 21 21 SER CB C 13 65.632 0.093 . 1 . 170 . . 21 SER CB . 18711 1 205 . 1 1 21 21 SER N N 15 114.070 0.082 . 1 . 166 . . 21 SER N . 18711 1 206 . 1 1 22 22 ALA H H 1 8.769 0.002 . 1 . 174 . . 22 ALA H . 18711 1 207 . 1 1 22 22 ALA HA H 1 4.182 0.020 . 1 . 176 . . 22 ALA HA . 18711 1 208 . 1 1 22 22 ALA HB1 H 1 0.615 0.020 . 1 . 177 . . 22 ALA HB1 . 18711 1 209 . 1 1 22 22 ALA HB2 H 1 0.615 0.020 . 1 . 177 . . 22 ALA HB2 . 18711 1 210 . 1 1 22 22 ALA HB3 H 1 0.615 0.020 . 1 . 177 . . 22 ALA HB3 . 18711 1 211 . 1 1 22 22 ALA CA C 13 50.511 0.051 . 1 . 175 . . 22 ALA CA . 18711 1 212 . 1 1 22 22 ALA CB C 13 20.428 0.035 . 1 . 178 . . 22 ALA CB . 18711 1 213 . 1 1 22 22 ALA N N 15 124.935 0.031 . 1 . 173 . . 22 ALA N . 18711 1 214 . 1 1 23 23 ASN H H 1 8.108 0.019 . 1 . 180 . . 23 ASN H . 18711 1 215 . 1 1 23 23 ASN HA H 1 4.996 0.006 . 1 . 182 . . 23 ASN HA . 18711 1 216 . 1 1 23 23 ASN HB2 H 1 2.489 0.017 . 2 . 184 . . 23 ASN HB2 . 18711 1 217 . 1 1 23 23 ASN HB3 H 1 2.053 0.020 . 2 . 185 . . 23 ASN HB3 . 18711 1 218 . 1 1 23 23 ASN HD21 H 1 7.363 0.010 . 1 . 187 . . 23 ASN HD21 . 18711 1 219 . 1 1 23 23 ASN HD22 H 1 6.682 0.003 . 1 . 188 . . 23 ASN HD22 . 18711 1 220 . 1 1 23 23 ASN CA C 13 52.488 0.148 . 1 . 181 . . 23 ASN CA . 18711 1 221 . 1 1 23 23 ASN CB C 13 39.141 0.071 . 1 . 183 . . 23 ASN CB . 18711 1 222 . 1 1 23 23 ASN N N 15 119.759 0.056 . 1 . 179 . . 23 ASN N . 18711 1 223 . 1 1 23 23 ASN ND2 N 15 113.206 0.088 . 1 . 186 . . 23 ASN ND2 . 18711 1 224 . 1 1 24 24 LEU H H 1 8.893 0.020 . 1 . 190 . . 24 LEU H . 18711 1 225 . 1 1 24 24 LEU HA H 1 3.888 0.028 . 1 . 192 . . 24 LEU HA . 18711 1 226 . 1 1 24 24 LEU HB2 H 1 0.162 0.011 . 2 . 194 . . 24 LEU HB2 . 18711 1 227 . 1 1 24 24 LEU HB3 H 1 -0.066 0.020 . 2 . 195 . . 24 LEU HB3 . 18711 1 228 . 1 1 24 24 LEU HG H 1 0.683 0.032 . 1 . 197 . . 24 LEU HG . 18711 1 229 . 1 1 24 24 LEU HD11 H 1 -0.517 0.009 . 2 . 198 . . 24 LEU HD11 . 18711 1 230 . 1 1 24 24 LEU HD12 H 1 -0.517 0.009 . 2 . 198 . . 24 LEU HD12 . 18711 1 231 . 1 1 24 24 LEU HD13 H 1 -0.517 0.009 . 2 . 198 . . 24 LEU HD13 . 18711 1 232 . 1 1 24 24 LEU HD21 H 1 -0.124 0.013 . 2 . 199 . . 24 LEU HD21 . 18711 1 233 . 1 1 24 24 LEU HD22 H 1 -0.124 0.013 . 2 . 199 . . 24 LEU HD22 . 18711 1 234 . 1 1 24 24 LEU HD23 H 1 -0.124 0.013 . 2 . 199 . . 24 LEU HD23 . 18711 1 235 . 1 1 24 24 LEU CA C 13 53.626 0.124 . 1 . 191 . . 24 LEU CA . 18711 1 236 . 1 1 24 24 LEU CB C 13 42.303 0.089 . 1 . 193 . . 24 LEU CB . 18711 1 237 . 1 1 24 24 LEU CG C 13 25.660 0.177 . 1 . 196 . . 24 LEU CG . 18711 1 238 . 1 1 24 24 LEU CD1 C 13 25.461 0.153 . 2 . 200 . . 24 LEU CD1 . 18711 1 239 . 1 1 24 24 LEU CD2 C 13 22.959 0.038 . 2 . 201 . . 24 LEU CD2 . 18711 1 240 . 1 1 24 24 LEU N N 15 124.702 0.068 . 1 . 189 . . 24 LEU N . 18711 1 241 . 1 1 25 25 THR H H 1 7.285 0.006 . 1 . 203 . . 25 THR H . 18711 1 242 . 1 1 25 25 THR HA H 1 4.925 0.003 . 1 . 205 . . 25 THR HA . 18711 1 243 . 1 1 25 25 THR HB H 1 4.100 0.020 . 1 . 207 . . 25 THR HB . 18711 1 244 . 1 1 25 25 THR HG21 H 1 1.090 0.020 . 1 . 208 . . 25 THR HG21 . 18711 1 245 . 1 1 25 25 THR HG22 H 1 1.090 0.020 . 1 . 208 . . 25 THR HG22 . 18711 1 246 . 1 1 25 25 THR HG23 H 1 1.090 0.020 . 1 . 208 . . 25 THR HG23 . 18711 1 247 . 1 1 25 25 THR CA C 13 63.298 0.200 . 1 . 204 . . 25 THR CA . 18711 1 248 . 1 1 25 25 THR CB C 13 70.018 0.006 . 1 . 206 . . 25 THR CB . 18711 1 249 . 1 1 25 25 THR CG2 C 13 21.801 0.200 . 1 . 209 . . 25 THR CG2 . 18711 1 250 . 1 1 25 25 THR N N 15 116.160 0.134 . 1 . 202 . . 25 THR N . 18711 1 251 . 1 1 26 26 CYS H H 1 9.641 0.007 . 1 . 211 . . 26 CYS H . 18711 1 252 . 1 1 26 26 CYS HA H 1 5.138 0.020 . 1 . 213 . . 26 CYS HA . 18711 1 253 . 1 1 26 26 CYS HB2 H 1 3.191 0.020 . 2 . 215 . . 26 CYS HB2 . 18711 1 254 . 1 1 26 26 CYS HB3 H 1 2.730 0.010 . 2 . 216 . . 26 CYS HB3 . 18711 1 255 . 1 1 26 26 CYS CA C 13 53.799 0.053 . 1 . 212 . . 26 CYS CA . 18711 1 256 . 1 1 26 26 CYS CB C 13 41.269 0.065 . 1 . 214 . . 26 CYS CB . 18711 1 257 . 1 1 26 26 CYS N N 15 132.201 0.068 . 1 . 210 . . 26 CYS N . 18711 1 258 . 1 1 27 27 LEU H H 1 9.520 0.011 . 1 . 218 . . 27 LEU H . 18711 1 259 . 1 1 27 27 LEU HA H 1 5.068 0.013 . 1 . 220 . . 27 LEU HA . 18711 1 260 . 1 1 27 27 LEU HB2 H 1 1.797 0.016 . 2 . 222 . . 27 LEU HB2 . 18711 1 261 . 1 1 27 27 LEU HB3 H 1 1.129 0.033 . 2 . 223 . . 27 LEU HB3 . 18711 1 262 . 1 1 27 27 LEU HG H 1 1.552 0.006 . 1 . 225 . . 27 LEU HG . 18711 1 263 . 1 1 27 27 LEU HD11 H 1 0.798 0.020 . 2 . 226 . . 27 LEU HD11 . 18711 1 264 . 1 1 27 27 LEU HD12 H 1 0.798 0.020 . 2 . 226 . . 27 LEU HD12 . 18711 1 265 . 1 1 27 27 LEU HD13 H 1 0.798 0.020 . 2 . 226 . . 27 LEU HD13 . 18711 1 266 . 1 1 27 27 LEU HD21 H 1 0.843 0.005 . 2 . 227 . . 27 LEU HD21 . 18711 1 267 . 1 1 27 27 LEU HD22 H 1 0.843 0.005 . 2 . 227 . . 27 LEU HD22 . 18711 1 268 . 1 1 27 27 LEU HD23 H 1 0.843 0.005 . 2 . 227 . . 27 LEU HD23 . 18711 1 269 . 1 1 27 27 LEU CA C 13 54.866 0.171 . 1 . 219 . . 27 LEU CA . 18711 1 270 . 1 1 27 27 LEU CB C 13 45.678 0.095 . 1 . 221 . . 27 LEU CB . 18711 1 271 . 1 1 27 27 LEU CG C 13 28.343 0.080 . 1 . 224 . . 27 LEU CG . 18711 1 272 . 1 1 27 27 LEU CD1 C 13 25.908 0.088 . 2 . 228 . . 27 LEU CD1 . 18711 1 273 . 1 1 27 27 LEU CD2 C 13 24.933 0.359 . 2 . 229 . . 27 LEU CD2 . 18711 1 274 . 1 1 27 27 LEU N N 15 131.109 0.069 . 1 . 217 . . 27 LEU N . 18711 1 275 . 1 1 28 28 VAL H H 1 9.266 0.042 . 1 . 231 . . 28 VAL H . 18711 1 276 . 1 1 28 28 VAL HA H 1 5.171 0.002 . 1 . 233 . . 28 VAL HA . 18711 1 277 . 1 1 28 28 VAL HB H 1 1.847 0.004 . 1 . 235 . . 28 VAL HB . 18711 1 278 . 1 1 28 28 VAL HG11 H 1 0.921 0.004 . 2 . 236 . . 28 VAL HG11 . 18711 1 279 . 1 1 28 28 VAL HG12 H 1 0.921 0.004 . 2 . 236 . . 28 VAL HG12 . 18711 1 280 . 1 1 28 28 VAL HG13 H 1 0.921 0.004 . 2 . 236 . . 28 VAL HG13 . 18711 1 281 . 1 1 28 28 VAL HG21 H 1 0.883 0.004 . 2 . 237 . . 28 VAL HG21 . 18711 1 282 . 1 1 28 28 VAL HG22 H 1 0.883 0.004 . 2 . 237 . . 28 VAL HG22 . 18711 1 283 . 1 1 28 28 VAL HG23 H 1 0.883 0.004 . 2 . 237 . . 28 VAL HG23 . 18711 1 284 . 1 1 28 28 VAL CA C 13 60.654 0.052 . 1 . 232 . . 28 VAL CA . 18711 1 285 . 1 1 28 28 VAL CB C 13 34.849 0.079 . 1 . 234 . . 28 VAL CB . 18711 1 286 . 1 1 28 28 VAL CG1 C 13 23.005 0.074 . 2 . 238 . . 28 VAL CG1 . 18711 1 287 . 1 1 28 28 VAL CG2 C 13 22.742 0.050 . 2 . 239 . . 28 VAL CG2 . 18711 1 288 . 1 1 28 28 VAL N N 15 126.399 0.084 . 1 . 230 . . 28 VAL N . 18711 1 289 . 1 1 29 29 SER H H 1 9.292 0.006 . 1 . 241 . . 29 SER H . 18711 1 290 . 1 1 29 29 SER HA H 1 5.238 0.020 . 1 . 243 . . 29 SER HA . 18711 1 291 . 1 1 29 29 SER HB2 H 1 3.915 0.001 . 1 . 245 . . 29 SER HB2 . 18711 1 292 . 1 1 29 29 SER HB3 H 1 3.915 0.001 . 1 . 896 . . 29 SER HB3 . 18711 1 293 . 1 1 29 29 SER CA C 13 57.099 0.200 . 1 . 242 . . 29 SER CA . 18711 1 294 . 1 1 29 29 SER CB C 13 67.061 0.002 . 1 . 244 . . 29 SER CB . 18711 1 295 . 1 1 29 29 SER N N 15 120.642 0.013 . 1 . 240 . . 29 SER N . 18711 1 296 . 1 1 30 30 ASN H H 1 8.630 0.007 . 1 . 247 . . 30 ASN H . 18711 1 297 . 1 1 30 30 ASN HA H 1 4.149 0.031 . 1 . 249 . . 30 ASN HA . 18711 1 298 . 1 1 30 30 ASN HB2 H 1 3.250 0.061 . 2 . 251 . . 30 ASN HB2 . 18711 1 299 . 1 1 30 30 ASN HB3 H 1 2.853 0.001 . 2 . 252 . . 30 ASN HB3 . 18711 1 300 . 1 1 30 30 ASN HD21 H 1 7.479 0.020 . 1 . 254 . . 30 ASN HD21 . 18711 1 301 . 1 1 30 30 ASN HD22 H 1 6.788 0.009 . 1 . 255 . . 30 ASN HD22 . 18711 1 302 . 1 1 30 30 ASN CA C 13 53.939 0.046 . 1 . 248 . . 30 ASN CA . 18711 1 303 . 1 1 30 30 ASN CB C 13 37.606 0.490 . 1 . 250 . . 30 ASN CB . 18711 1 304 . 1 1 30 30 ASN N N 15 114.908 0.047 . 1 . 246 . . 30 ASN N . 18711 1 305 . 1 1 30 30 ASN ND2 N 15 111.037 0.047 . 1 . 253 . . 30 ASN ND2 . 18711 1 306 . 1 1 31 31 LEU H H 1 8.177 0.036 . 1 . 257 . . 31 LEU H . 18711 1 307 . 1 1 31 31 LEU HA H 1 4.055 0.018 . 1 . 259 . . 31 LEU HA . 18711 1 308 . 1 1 31 31 LEU HB2 H 1 1.666 0.020 . 2 . 261 . . 31 LEU HB2 . 18711 1 309 . 1 1 31 31 LEU HB3 H 1 1.192 0.020 . 2 . 262 . . 31 LEU HB3 . 18711 1 310 . 1 1 31 31 LEU HG H 1 1.362 0.020 . 1 . 264 . . 31 LEU HG . 18711 1 311 . 1 1 31 31 LEU HD11 H 1 0.714 0.027 . 2 . 265 . . 31 LEU HD11 . 18711 1 312 . 1 1 31 31 LEU HD12 H 1 0.714 0.027 . 2 . 265 . . 31 LEU HD12 . 18711 1 313 . 1 1 31 31 LEU HD13 H 1 0.714 0.027 . 2 . 265 . . 31 LEU HD13 . 18711 1 314 . 1 1 31 31 LEU HD21 H 1 0.478 0.007 . 2 . 266 . . 31 LEU HD21 . 18711 1 315 . 1 1 31 31 LEU HD22 H 1 0.478 0.007 . 2 . 266 . . 31 LEU HD22 . 18711 1 316 . 1 1 31 31 LEU HD23 H 1 0.478 0.007 . 2 . 266 . . 31 LEU HD23 . 18711 1 317 . 1 1 31 31 LEU CA C 13 54.660 0.040 . 1 . 258 . . 31 LEU CA . 18711 1 318 . 1 1 31 31 LEU CB C 13 43.550 0.065 . 1 . 260 . . 31 LEU CB . 18711 1 319 . 1 1 31 31 LEU CG C 13 26.998 0.247 . 1 . 263 . . 31 LEU CG . 18711 1 320 . 1 1 31 31 LEU CD1 C 13 26.914 0.125 . 2 . 267 . . 31 LEU CD1 . 18711 1 321 . 1 1 31 31 LEU CD2 C 13 24.175 0.129 . 2 . 268 . . 31 LEU CD2 . 18711 1 322 . 1 1 31 31 LEU N N 15 116.404 0.088 . 1 . 256 . . 31 LEU N . 18711 1 323 . 1 1 32 32 ALA H H 1 9.826 0.012 . 1 . 270 . . 32 ALA H . 18711 1 324 . 1 1 32 32 ALA HA H 1 4.449 0.020 . 1 . 272 . . 32 ALA HA . 18711 1 325 . 1 1 32 32 ALA HB1 H 1 1.539 0.020 . 1 . 273 . . 32 ALA HB1 . 18711 1 326 . 1 1 32 32 ALA HB2 H 1 1.539 0.020 . 1 . 273 . . 32 ALA HB2 . 18711 1 327 . 1 1 32 32 ALA HB3 H 1 1.539 0.020 . 1 . 273 . . 32 ALA HB3 . 18711 1 328 . 1 1 32 32 ALA CA C 13 53.691 0.057 . 1 . 271 . . 32 ALA CA . 18711 1 329 . 1 1 32 32 ALA CB C 13 19.879 0.200 . 1 . 274 . . 32 ALA CB . 18711 1 330 . 1 1 32 32 ALA N N 15 124.291 0.030 . 1 . 269 . . 32 ALA N . 18711 1 331 . 1 1 33 33 THR H H 1 7.300 0.020 . 1 . 276 . . 33 THR H . 18711 1 332 . 1 1 33 33 THR HG21 H 1 1.266 0.011 . 1 . 278 . . 33 THR HG21 . 18711 1 333 . 1 1 33 33 THR HG22 H 1 1.266 0.011 . 1 . 278 . . 33 THR HG22 . 18711 1 334 . 1 1 33 33 THR HG23 H 1 1.266 0.011 . 1 . 278 . . 33 THR HG23 . 18711 1 335 . 1 1 33 33 THR CA C 13 58.992 0.200 . 1 . 277 . . 33 THR CA . 18711 1 336 . 1 1 33 33 THR CG2 C 13 20.066 0.126 . 1 . 279 . . 33 THR CG2 . 18711 1 337 . 1 1 33 33 THR N N 15 105.198 0.330 . 1 . 275 . . 33 THR N . 18711 1 338 . 1 1 34 34 TYR HA H 1 4.472 0.020 . 1 . 281 . . 34 TYR HA . 18711 1 339 . 1 1 34 34 TYR HB2 H 1 2.760 0.020 . 1 . 897 . . 34 TYR HB2 . 18711 1 340 . 1 1 34 34 TYR HB3 H 1 2.760 0.020 . 1 . 283 . . 34 TYR HB3 . 18711 1 341 . 1 1 34 34 TYR HE1 H 1 6.543 0.003 . 3 . 284 . . 34 TYR HE1 . 18711 1 342 . 1 1 34 34 TYR HE2 H 1 6.543 0.003 . 3 . 284 . . 34 TYR HE2 . 18711 1 343 . 1 1 34 34 TYR CA C 13 55.325 0.001 . 1 . 280 . . 34 TYR CA . 18711 1 344 . 1 1 34 34 TYR CB C 13 38.907 0.200 . 1 . 282 . . 34 TYR CB . 18711 1 345 . 1 1 34 34 TYR CE1 C 13 118.746 0.200 . 3 . 285 . . 34 TYR CE1 . 18711 1 346 . 1 1 34 34 TYR CE2 C 13 118.746 0.200 . 3 . 285 . . 34 TYR CE2 . 18711 1 347 . 1 1 37 37 LEU HB2 H 1 2.123 0.009 . 2 . 288 . . 37 LEU HB2 . 18711 1 348 . 1 1 37 37 LEU HB3 H 1 1.375 0.006 . 2 . 289 . . 37 LEU HB3 . 18711 1 349 . 1 1 37 37 LEU HG H 1 1.405 0.029 . 1 . 291 . . 37 LEU HG . 18711 1 350 . 1 1 37 37 LEU HD11 H 1 0.885 0.045 . 2 . 292 . . 37 LEU HD11 . 18711 1 351 . 1 1 37 37 LEU HD12 H 1 0.885 0.045 . 2 . 292 . . 37 LEU HD12 . 18711 1 352 . 1 1 37 37 LEU HD13 H 1 0.885 0.045 . 2 . 292 . . 37 LEU HD13 . 18711 1 353 . 1 1 37 37 LEU HD21 H 1 1.046 0.011 . 2 . 293 . . 37 LEU HD21 . 18711 1 354 . 1 1 37 37 LEU HD22 H 1 1.046 0.011 . 2 . 293 . . 37 LEU HD22 . 18711 1 355 . 1 1 37 37 LEU HD23 H 1 1.046 0.011 . 2 . 293 . . 37 LEU HD23 . 18711 1 356 . 1 1 37 37 LEU CA C 13 55.873 0.200 . 1 . 286 . . 37 LEU CA . 18711 1 357 . 1 1 37 37 LEU CB C 13 44.246 0.140 . 1 . 287 . . 37 LEU CB . 18711 1 358 . 1 1 37 37 LEU CG C 13 27.794 0.001 . 1 . 290 . . 37 LEU CG . 18711 1 359 . 1 1 37 37 LEU CD1 C 13 27.225 0.024 . 2 . 294 . . 37 LEU CD1 . 18711 1 360 . 1 1 37 37 LEU CD2 C 13 23.418 0.029 . 2 . 295 . . 37 LEU CD2 . 18711 1 361 . 1 1 38 38 ASN H H 1 9.092 0.020 . 1 . 297 . . 38 ASN H . 18711 1 362 . 1 1 38 38 ASN HA H 1 4.844 0.020 . 1 . 299 . . 38 ASN HA . 18711 1 363 . 1 1 38 38 ASN HB2 H 1 2.798 0.020 . 2 . 301 . . 38 ASN HB2 . 18711 1 364 . 1 1 38 38 ASN HB3 H 1 2.543 0.020 . 2 . 302 . . 38 ASN HB3 . 18711 1 365 . 1 1 38 38 ASN HD21 H 1 7.428 0.025 . 1 . 304 . . 38 ASN HD21 . 18711 1 366 . 1 1 38 38 ASN HD22 H 1 6.852 0.020 . 1 . 305 . . 38 ASN HD22 . 18711 1 367 . 1 1 38 38 ASN CA C 13 53.866 0.200 . 1 . 298 . . 38 ASN CA . 18711 1 368 . 1 1 38 38 ASN CB C 13 41.918 0.089 . 1 . 300 . . 38 ASN CB . 18711 1 369 . 1 1 38 38 ASN N N 15 125.142 0.007 . 1 . 296 . . 38 ASN N . 18711 1 370 . 1 1 38 38 ASN ND2 N 15 112.186 0.200 . 1 . 303 . . 38 ASN ND2 . 18711 1 371 . 1 1 39 39 ILE H H 1 7.178 0.020 . 1 . 307 . . 39 ILE H . 18711 1 372 . 1 1 39 39 ILE HA H 1 4.506 0.027 . 1 . 309 . . 39 ILE HA . 18711 1 373 . 1 1 39 39 ILE HB H 1 1.373 0.020 . 1 . 311 . . 39 ILE HB . 18711 1 374 . 1 1 39 39 ILE HG12 H 1 1.420 0.020 . 2 . 315 . . 39 ILE HG12 . 18711 1 375 . 1 1 39 39 ILE HG13 H 1 0.884 0.023 . 2 . 316 . . 39 ILE HG13 . 18711 1 376 . 1 1 39 39 ILE HG21 H 1 0.665 0.020 . 1 . 312 . . 39 ILE HG21 . 18711 1 377 . 1 1 39 39 ILE HG22 H 1 0.665 0.020 . 1 . 312 . . 39 ILE HG22 . 18711 1 378 . 1 1 39 39 ILE HG23 H 1 0.665 0.020 . 1 . 312 . . 39 ILE HG23 . 18711 1 379 . 1 1 39 39 ILE HD11 H 1 0.739 0.003 . 1 . 317 . . 39 ILE HD11 . 18711 1 380 . 1 1 39 39 ILE HD12 H 1 0.739 0.003 . 1 . 317 . . 39 ILE HD12 . 18711 1 381 . 1 1 39 39 ILE HD13 H 1 0.739 0.003 . 1 . 317 . . 39 ILE HD13 . 18711 1 382 . 1 1 39 39 ILE CA C 13 61.084 0.043 . 1 . 308 . . 39 ILE CA . 18711 1 383 . 1 1 39 39 ILE CB C 13 41.552 0.034 . 1 . 310 . . 39 ILE CB . 18711 1 384 . 1 1 39 39 ILE CG1 C 13 27.355 0.104 . 1 . 314 . . 39 ILE CG1 . 18711 1 385 . 1 1 39 39 ILE CG2 C 13 18.472 0.033 . 1 . 313 . . 39 ILE CG2 . 18711 1 386 . 1 1 39 39 ILE CD1 C 13 14.984 0.031 . 1 . 318 . . 39 ILE CD1 . 18711 1 387 . 1 1 39 39 ILE N N 15 121.974 0.075 . 1 . 306 . . 39 ILE N . 18711 1 388 . 1 1 40 40 SER H H 1 8.530 0.020 . 1 . 320 . . 40 SER H . 18711 1 389 . 1 1 40 40 SER HA H 1 4.816 0.004 . 1 . 322 . . 40 SER HA . 18711 1 390 . 1 1 40 40 SER HB2 H 1 3.744 0.020 . 2 . 324 . . 40 SER HB2 . 18711 1 391 . 1 1 40 40 SER HB3 H 1 3.664 0.020 . 2 . 325 . . 40 SER HB3 . 18711 1 392 . 1 1 40 40 SER CA C 13 56.843 0.001 . 1 . 321 . . 40 SER CA . 18711 1 393 . 1 1 40 40 SER CB C 13 65.753 0.060 . 1 . 323 . . 40 SER CB . 18711 1 394 . 1 1 40 40 SER N N 15 119.448 0.005 . 1 . 319 . . 40 SER N . 18711 1 395 . 1 1 41 41 TRP H H 1 8.004 0.007 . 1 . 327 . . 41 TRP H . 18711 1 396 . 1 1 41 41 TRP HA H 1 5.488 0.020 . 1 . 329 . . 41 TRP HA . 18711 1 397 . 1 1 41 41 TRP HB2 H 1 2.881 0.003 . 1 . 331 . . 41 TRP HB2 . 18711 1 398 . 1 1 41 41 TRP HB3 H 1 2.881 0.003 . 1 . 898 . . 41 TRP HB3 . 18711 1 399 . 1 1 41 41 TRP HD1 H 1 6.945 0.020 . 1 . 335 . . 41 TRP HD1 . 18711 1 400 . 1 1 41 41 TRP HE1 H 1 8.742 0.020 . 1 . 339 . . 41 TRP HE1 . 18711 1 401 . 1 1 41 41 TRP HE3 H 1 7.488 0.658 . 1 . 336 . . 41 TRP HE3 . 18711 1 402 . 1 1 41 41 TRP HZ2 H 1 6.847 0.684 . 1 . 341 . . 41 TRP HZ2 . 18711 1 403 . 1 1 41 41 TRP HZ3 H 1 6.861 0.020 . 1 . 340 . . 41 TRP HZ3 . 18711 1 404 . 1 1 41 41 TRP CA C 13 56.779 0.200 . 1 . 328 . . 41 TRP CA . 18711 1 405 . 1 1 41 41 TRP CB C 13 33.092 0.001 . 1 . 330 . . 41 TRP CB . 18711 1 406 . 1 1 41 41 TRP CD1 C 13 127.402 0.200 . 1 . 332 . . 41 TRP CD1 . 18711 1 407 . 1 1 41 41 TRP CE3 C 13 121.862 0.238 . 1 . 333 . . 41 TRP CE3 . 18711 1 408 . 1 1 41 41 TRP CZ2 C 13 113.976 0.200 . 1 . 338 . . 41 TRP CZ2 . 18711 1 409 . 1 1 41 41 TRP CZ3 C 13 122.753 0.200 . 1 . 337 . . 41 TRP CZ3 . 18711 1 410 . 1 1 41 41 TRP N N 15 125.960 0.038 . 1 . 326 . . 41 TRP N . 18711 1 411 . 1 1 41 41 TRP NE1 N 15 125.447 0.200 . 1 . 334 . . 41 TRP NE1 . 18711 1 412 . 1 1 42 42 ALA H H 1 9.188 0.001 . 1 . 343 . . 42 ALA H . 18711 1 413 . 1 1 42 42 ALA HA H 1 5.278 0.020 . 1 . 345 . . 42 ALA HA . 18711 1 414 . 1 1 42 42 ALA HB1 H 1 1.321 0.020 . 1 . 346 . . 42 ALA HB1 . 18711 1 415 . 1 1 42 42 ALA HB2 H 1 1.321 0.020 . 1 . 346 . . 42 ALA HB2 . 18711 1 416 . 1 1 42 42 ALA HB3 H 1 1.321 0.020 . 1 . 346 . . 42 ALA HB3 . 18711 1 417 . 1 1 42 42 ALA CA C 13 51.590 0.442 . 1 . 344 . . 42 ALA CA . 18711 1 418 . 1 1 42 42 ALA CB C 13 24.140 0.012 . 1 . 347 . . 42 ALA CB . 18711 1 419 . 1 1 42 42 ALA N N 15 121.368 0.018 . 1 . 342 . . 42 ALA N . 18711 1 420 . 1 1 43 43 SER H H 1 8.910 0.001 . 1 . 349 . . 43 SER H . 18711 1 421 . 1 1 43 43 SER HA H 1 5.119 0.020 . 1 . 351 . . 43 SER HA . 18711 1 422 . 1 1 43 43 SER HB2 H 1 4.419 0.002 . 2 . 353 . . 43 SER HB2 . 18711 1 423 . 1 1 43 43 SER HB3 H 1 4.091 0.020 . 2 . 354 . . 43 SER HB3 . 18711 1 424 . 1 1 43 43 SER CA C 13 57.758 0.200 . 1 . 350 . . 43 SER CA . 18711 1 425 . 1 1 43 43 SER CB C 13 65.533 0.150 . 1 . 352 . . 43 SER CB . 18711 1 426 . 1 1 43 43 SER N N 15 114.478 0.018 . 1 . 348 . . 43 SER N . 18711 1 427 . 1 1 44 44 GLN H H 1 8.611 0.014 . 1 . 356 . . 44 GLN H . 18711 1 428 . 1 1 44 44 GLN HA H 1 4.044 0.005 . 1 . 358 . . 44 GLN HA . 18711 1 429 . 1 1 44 44 GLN HB2 H 1 2.158 0.005 . 1 . 360 . . 44 GLN HB2 . 18711 1 430 . 1 1 44 44 GLN HB3 H 1 2.158 0.005 . 1 . 899 . . 44 GLN HB3 . 18711 1 431 . 1 1 44 44 GLN HG2 H 1 2.470 0.020 . 2 . 362 . . 44 GLN HG2 . 18711 1 432 . 1 1 44 44 GLN HG3 H 1 2.404 0.020 . 2 . 363 . . 44 GLN HG3 . 18711 1 433 . 1 1 44 44 GLN HE21 H 1 7.520 0.001 . 1 . 365 . . 44 GLN HE21 . 18711 1 434 . 1 1 44 44 GLN HE22 H 1 6.684 0.004 . 1 . 366 . . 44 GLN HE22 . 18711 1 435 . 1 1 44 44 GLN CA C 13 59.153 0.047 . 1 . 357 . . 44 GLN CA . 18711 1 436 . 1 1 44 44 GLN CB C 13 28.642 0.049 . 1 . 359 . . 44 GLN CB . 18711 1 437 . 1 1 44 44 GLN CG C 13 33.450 0.207 . 1 . 361 . . 44 GLN CG . 18711 1 438 . 1 1 44 44 GLN N N 15 122.794 0.007 . 1 . 355 . . 44 GLN N . 18711 1 439 . 1 1 44 44 GLN NE2 N 15 111.456 0.016 . 1 . 364 . . 44 GLN NE2 . 18711 1 440 . 1 1 45 45 SER H H 1 8.007 0.020 . 1 . 368 . . 45 SER H . 18711 1 441 . 1 1 45 45 SER HA H 1 4.417 0.004 . 1 . 370 . . 45 SER HA . 18711 1 442 . 1 1 45 45 SER HB2 H 1 4.120 0.020 . 2 . 372 . . 45 SER HB2 . 18711 1 443 . 1 1 45 45 SER HB3 H 1 3.846 0.015 . 2 . 373 . . 45 SER HB3 . 18711 1 444 . 1 1 45 45 SER CA C 13 58.698 0.086 . 1 . 369 . . 45 SER CA . 18711 1 445 . 1 1 45 45 SER CB C 13 63.576 0.068 . 1 . 371 . . 45 SER CB . 18711 1 446 . 1 1 45 45 SER N N 15 111.236 0.200 . 1 . 367 . . 45 SER N . 18711 1 447 . 1 1 46 46 GLY H H 1 8.006 0.001 . 1 . 375 . . 46 GLY H . 18711 1 448 . 1 1 46 46 GLY HA2 H 1 4.324 0.020 . 2 . 377 . . 46 GLY HA2 . 18711 1 449 . 1 1 46 46 GLY HA3 H 1 3.623 0.020 . 2 . 378 . . 46 GLY HA3 . 18711 1 450 . 1 1 46 46 GLY CA C 13 45.390 0.035 . 1 . 376 . . 46 GLY CA . 18711 1 451 . 1 1 46 46 GLY N N 15 110.195 0.010 . 1 . 374 . . 46 GLY N . 18711 1 452 . 1 1 47 47 GLU H H 1 7.935 0.010 . 1 . 380 . . 47 GLU H . 18711 1 453 . 1 1 47 47 GLU HA H 1 4.591 0.020 . 1 . 382 . . 47 GLU HA . 18711 1 454 . 1 1 47 47 GLU HB2 H 1 2.085 0.020 . 2 . 384 . . 47 GLU HB2 . 18711 1 455 . 1 1 47 47 GLU HB3 H 1 2.000 0.020 . 2 . 385 . . 47 GLU HB3 . 18711 1 456 . 1 1 47 47 GLU HG2 H 1 2.273 0.020 . 1 . 900 . . 47 GLU HG2 . 18711 1 457 . 1 1 47 47 GLU HG3 H 1 2.273 0.020 . 1 . 387 . . 47 GLU HG3 . 18711 1 458 . 1 1 47 47 GLU CA C 13 54.720 0.203 . 1 . 381 . . 47 GLU CA . 18711 1 459 . 1 1 47 47 GLU CB C 13 29.788 0.021 . 1 . 383 . . 47 GLU CB . 18711 1 460 . 1 1 47 47 GLU CG C 13 36.160 0.033 . 1 . 386 . . 47 GLU CG . 18711 1 461 . 1 1 47 47 GLU N N 15 123.638 0.044 . 1 . 379 . . 47 GLU N . 18711 1 462 . 1 1 48 48 PRO HA H 1 4.661 0.008 . 1 . 390 . . 48 PRO HA . 18711 1 463 . 1 1 48 48 PRO HB2 H 1 1.990 0.009 . 2 . 392 . . 48 PRO HB2 . 18711 1 464 . 1 1 48 48 PRO HB3 H 1 2.361 0.011 . 2 . 393 . . 48 PRO HB3 . 18711 1 465 . 1 1 48 48 PRO HG2 H 1 2.178 0.005 . 2 . 395 . . 48 PRO HG2 . 18711 1 466 . 1 1 48 48 PRO HG3 H 1 2.052 0.020 . 2 . 396 . . 48 PRO HG3 . 18711 1 467 . 1 1 48 48 PRO HD2 H 1 4.109 0.003 . 2 . 397 . . 48 PRO HD2 . 18711 1 468 . 1 1 48 48 PRO HD3 H 1 3.782 0.010 . 2 . 398 . . 48 PRO HD3 . 18711 1 469 . 1 1 48 48 PRO CA C 13 63.461 0.142 . 1 . 389 . . 48 PRO CA . 18711 1 470 . 1 1 48 48 PRO CB C 13 32.873 0.099 . 1 . 391 . . 48 PRO CB . 18711 1 471 . 1 1 48 48 PRO CG C 13 27.699 0.141 . 1 . 394 . . 48 PRO CG . 18711 1 472 . 1 1 48 48 PRO CD C 13 51.316 0.017 . 1 . 388 . . 48 PRO CD . 18711 1 473 . 1 1 49 49 LEU H H 1 8.600 0.005 . 1 . 400 . . 49 LEU H . 18711 1 474 . 1 1 49 49 LEU HA H 1 4.735 0.016 . 1 . 402 . . 49 LEU HA . 18711 1 475 . 1 1 49 49 LEU HB2 H 1 1.459 0.010 . 2 . 404 . . 49 LEU HB2 . 18711 1 476 . 1 1 49 49 LEU HB3 H 1 1.358 0.030 . 2 . 405 . . 49 LEU HB3 . 18711 1 477 . 1 1 49 49 LEU HG H 1 1.727 0.003 . 1 . 407 . . 49 LEU HG . 18711 1 478 . 1 1 49 49 LEU HD11 H 1 0.774 0.006 . 2 . 408 . . 49 LEU HD11 . 18711 1 479 . 1 1 49 49 LEU HD12 H 1 0.774 0.006 . 2 . 408 . . 49 LEU HD12 . 18711 1 480 . 1 1 49 49 LEU HD13 H 1 0.774 0.006 . 2 . 408 . . 49 LEU HD13 . 18711 1 481 . 1 1 49 49 LEU HD21 H 1 0.948 0.020 . 2 . 409 . . 49 LEU HD21 . 18711 1 482 . 1 1 49 49 LEU HD22 H 1 0.948 0.020 . 2 . 409 . . 49 LEU HD22 . 18711 1 483 . 1 1 49 49 LEU HD23 H 1 0.948 0.020 . 2 . 409 . . 49 LEU HD23 . 18711 1 484 . 1 1 49 49 LEU CA C 13 53.310 0.200 . 1 . 401 . . 49 LEU CA . 18711 1 485 . 1 1 49 49 LEU CB C 13 44.063 0.091 . 1 . 403 . . 49 LEU CB . 18711 1 486 . 1 1 49 49 LEU CG C 13 27.708 0.148 . 1 . 406 . . 49 LEU CG . 18711 1 487 . 1 1 49 49 LEU CD1 C 13 26.510 0.041 . 2 . 410 . . 49 LEU CD1 . 18711 1 488 . 1 1 49 49 LEU CD2 C 13 23.799 0.084 . 2 . 411 . . 49 LEU CD2 . 18711 1 489 . 1 1 49 49 LEU N N 15 122.883 0.016 . 1 . 399 . . 49 LEU N . 18711 1 490 . 1 1 50 50 GLU H H 1 8.838 0.023 . 1 . 413 . . 50 GLU H . 18711 1 491 . 1 1 50 50 GLU HA H 1 4.179 0.025 . 1 . 415 . . 50 GLU HA . 18711 1 492 . 1 1 50 50 GLU HB2 H 1 2.036 0.020 . 1 . 901 . . 50 GLU HB2 . 18711 1 493 . 1 1 50 50 GLU HB3 H 1 2.036 0.020 . 1 . 417 . . 50 GLU HB3 . 18711 1 494 . 1 1 50 50 GLU HG2 H 1 2.312 0.020 . 2 . 419 . . 50 GLU HG2 . 18711 1 495 . 1 1 50 50 GLU HG3 H 1 2.155 0.001 . 2 . 420 . . 50 GLU HG3 . 18711 1 496 . 1 1 50 50 GLU CA C 13 58.399 0.109 . 1 . 414 . . 50 GLU CA . 18711 1 497 . 1 1 50 50 GLU CB C 13 29.698 0.085 . 1 . 416 . . 50 GLU CB . 18711 1 498 . 1 1 50 50 GLU CG C 13 36.412 0.176 . 1 . 418 . . 50 GLU CG . 18711 1 499 . 1 1 50 50 GLU N N 15 125.617 0.076 . 1 . 412 . . 50 GLU N . 18711 1 500 . 1 1 51 51 THR H H 1 9.082 0.001 . 1 . 422 . . 51 THR H . 18711 1 501 . 1 1 51 51 THR HA H 1 4.965 0.020 . 1 . 424 . . 51 THR HA . 18711 1 502 . 1 1 51 51 THR HB H 1 4.304 0.020 . 1 . 426 . . 51 THR HB . 18711 1 503 . 1 1 51 51 THR HG21 H 1 1.051 0.020 . 1 . 427 . . 51 THR HG21 . 18711 1 504 . 1 1 51 51 THR HG22 H 1 1.051 0.020 . 1 . 427 . . 51 THR HG22 . 18711 1 505 . 1 1 51 51 THR HG23 H 1 1.051 0.020 . 1 . 427 . . 51 THR HG23 . 18711 1 506 . 1 1 51 51 THR CA C 13 62.768 0.200 . 1 . 423 . . 51 THR CA . 18711 1 507 . 1 1 51 51 THR CB C 13 71.763 0.029 . 1 . 425 . . 51 THR CB . 18711 1 508 . 1 1 51 51 THR CG2 C 13 21.601 0.116 . 1 . 428 . . 51 THR CG2 . 18711 1 509 . 1 1 51 51 THR N N 15 125.060 0.103 . 1 . 421 . . 51 THR N . 18711 1 510 . 1 1 52 52 LYS H H 1 8.906 0.005 . 1 . 430 . . 52 LYS H . 18711 1 511 . 1 1 52 52 LYS HA H 1 4.691 0.007 . 1 . 432 . . 52 LYS HA . 18711 1 512 . 1 1 52 52 LYS HB2 H 1 1.801 0.020 . 1 . 434 . . 52 LYS HB2 . 18711 1 513 . 1 1 52 52 LYS HB3 H 1 1.801 0.020 . 1 . 902 . . 52 LYS HB3 . 18711 1 514 . 1 1 52 52 LYS HG2 H 1 1.453 0.020 . 1 . 436 . . 52 LYS HG2 . 18711 1 515 . 1 1 52 52 LYS HG3 H 1 1.453 0.020 . 1 . 905 . . 52 LYS HG3 . 18711 1 516 . 1 1 52 52 LYS HD2 H 1 1.665 0.002 . 1 . 438 . . 52 LYS HD2 . 18711 1 517 . 1 1 52 52 LYS HD3 H 1 1.665 0.002 . 1 . 903 . . 52 LYS HD3 . 18711 1 518 . 1 1 52 52 LYS HE2 H 1 2.949 0.020 . 1 . 440 . . 52 LYS HE2 . 18711 1 519 . 1 1 52 52 LYS HE3 H 1 2.949 0.020 . 1 . 904 . . 52 LYS HE3 . 18711 1 520 . 1 1 52 52 LYS CA C 13 55.180 0.200 . 1 . 431 . . 52 LYS CA . 18711 1 521 . 1 1 52 52 LYS CB C 13 34.168 0.023 . 1 . 433 . . 52 LYS CB . 18711 1 522 . 1 1 52 52 LYS CG C 13 25.273 0.044 . 1 . 435 . . 52 LYS CG . 18711 1 523 . 1 1 52 52 LYS CD C 13 29.240 0.036 . 1 . 437 . . 52 LYS CD . 18711 1 524 . 1 1 52 52 LYS CE C 13 42.511 0.001 . 1 . 439 . . 52 LYS CE . 18711 1 525 . 1 1 52 52 LYS N N 15 128.089 0.084 . 1 . 429 . . 52 LYS N . 18711 1 526 . 1 1 53 53 ILE H H 1 9.012 0.038 . 1 . 442 . . 53 ILE H . 18711 1 527 . 1 1 53 53 ILE HA H 1 5.302 0.030 . 1 . 444 . . 53 ILE HA . 18711 1 528 . 1 1 53 53 ILE HB H 1 1.753 0.020 . 1 . 446 . . 53 ILE HB . 18711 1 529 . 1 1 53 53 ILE HG12 H 1 0.914 0.020 . 1 . 906 . . 53 ILE HG12 . 18711 1 530 . 1 1 53 53 ILE HG13 H 1 0.914 0.020 . 1 . 450 . . 53 ILE HG13 . 18711 1 531 . 1 1 53 53 ILE HG21 H 1 0.738 0.021 . 1 . 447 . . 53 ILE HG21 . 18711 1 532 . 1 1 53 53 ILE HG22 H 1 0.738 0.021 . 1 . 447 . . 53 ILE HG22 . 18711 1 533 . 1 1 53 53 ILE HG23 H 1 0.738 0.021 . 1 . 447 . . 53 ILE HG23 . 18711 1 534 . 1 1 53 53 ILE HD11 H 1 1.023 0.055 . 1 . 451 . . 53 ILE HD11 . 18711 1 535 . 1 1 53 53 ILE HD12 H 1 1.023 0.055 . 1 . 451 . . 53 ILE HD12 . 18711 1 536 . 1 1 53 53 ILE HD13 H 1 1.023 0.055 . 1 . 451 . . 53 ILE HD13 . 18711 1 537 . 1 1 53 53 ILE CA C 13 60.706 0.101 . 1 . 443 . . 53 ILE CA . 18711 1 538 . 1 1 53 53 ILE CB C 13 40.500 0.133 . 1 . 445 . . 53 ILE CB . 18711 1 539 . 1 1 53 53 ILE CG1 C 13 28.618 0.200 . 1 . 449 . . 53 ILE CG1 . 18711 1 540 . 1 1 53 53 ILE CG2 C 13 17.365 0.107 . 1 . 448 . . 53 ILE CG2 . 18711 1 541 . 1 1 53 53 ILE CD1 C 13 14.365 0.055 . 1 . 452 . . 53 ILE CD1 . 18711 1 542 . 1 1 53 53 ILE N N 15 126.567 0.066 . 1 . 441 . . 53 ILE N . 18711 1 543 . 1 1 54 54 LYS H H 1 8.751 0.020 . 1 . 454 . . 54 LYS H . 18711 1 544 . 1 1 54 54 LYS HA H 1 4.678 0.001 . 1 . 456 . . 54 LYS HA . 18711 1 545 . 1 1 54 54 LYS HB2 H 1 1.768 0.020 . 2 . 458 . . 54 LYS HB2 . 18711 1 546 . 1 1 54 54 LYS HB3 H 1 1.666 0.020 . 2 . 459 . . 54 LYS HB3 . 18711 1 547 . 1 1 54 54 LYS HG2 H 1 1.365 0.010 . 1 . 909 . . 54 LYS HG2 . 18711 1 548 . 1 1 54 54 LYS HG3 H 1 1.365 0.010 . 1 . 461 . . 54 LYS HG3 . 18711 1 549 . 1 1 54 54 LYS HD2 H 1 1.648 0.020 . 1 . 907 . . 54 LYS HD2 . 18711 1 550 . 1 1 54 54 LYS HD3 H 1 1.648 0.020 . 1 . 463 . . 54 LYS HD3 . 18711 1 551 . 1 1 54 54 LYS HE2 H 1 2.944 0.020 . 1 . 908 . . 54 LYS HE2 . 18711 1 552 . 1 1 54 54 LYS HE3 H 1 2.944 0.020 . 1 . 465 . . 54 LYS HE3 . 18711 1 553 . 1 1 54 54 LYS CA C 13 55.197 0.200 . 1 . 455 . . 54 LYS CA . 18711 1 554 . 1 1 54 54 LYS CB C 13 35.886 0.142 . 1 . 457 . . 54 LYS CB . 18711 1 555 . 1 1 54 54 LYS CG C 13 25.130 0.083 . 1 . 460 . . 54 LYS CG . 18711 1 556 . 1 1 54 54 LYS CD C 13 29.446 0.200 . 1 . 462 . . 54 LYS CD . 18711 1 557 . 1 1 54 54 LYS CE C 13 42.484 0.043 . 1 . 464 . . 54 LYS CE . 18711 1 558 . 1 1 54 54 LYS N N 15 128.426 0.200 . 1 . 453 . . 54 LYS N . 18711 1 559 . 1 1 55 55 VAL H H 1 8.692 0.020 . 1 . 467 . . 55 VAL H . 18711 1 560 . 1 1 55 55 VAL HA H 1 4.144 0.020 . 1 . 469 . . 55 VAL HA . 18711 1 561 . 1 1 55 55 VAL HB H 1 1.811 0.020 . 1 . 471 . . 55 VAL HB . 18711 1 562 . 1 1 55 55 VAL HG11 H 1 0.660 0.001 . 1 . 472 . . 55 VAL HG11 . 18711 1 563 . 1 1 55 55 VAL HG12 H 1 0.660 0.001 . 1 . 472 . . 55 VAL HG12 . 18711 1 564 . 1 1 55 55 VAL HG13 H 1 0.660 0.001 . 1 . 472 . . 55 VAL HG13 . 18711 1 565 . 1 1 55 55 VAL HG21 H 1 0.660 0.001 . 1 . 473 . . 55 VAL HG21 . 18711 1 566 . 1 1 55 55 VAL HG22 H 1 0.660 0.001 . 1 . 473 . . 55 VAL HG22 . 18711 1 567 . 1 1 55 55 VAL HG23 H 1 0.660 0.001 . 1 . 473 . . 55 VAL HG23 . 18711 1 568 . 1 1 55 55 VAL CA C 13 62.950 0.001 . 1 . 468 . . 55 VAL CA . 18711 1 569 . 1 1 55 55 VAL CB C 13 32.694 0.001 . 1 . 470 . . 55 VAL CB . 18711 1 570 . 1 1 55 55 VAL CG1 C 13 21.171 0.001 . 1 . 474 . . 55 VAL CG1 . 18711 1 571 . 1 1 55 55 VAL CG2 C 13 21.171 0.001 . 1 . 475 . . 55 VAL CG2 . 18711 1 572 . 1 1 55 55 VAL N N 15 125.847 0.200 . 1 . 466 . . 55 VAL N . 18711 1 573 . 1 1 56 56 MET HA H 1 4.063 0.020 . 1 . 477 . . 56 MET HA . 18711 1 574 . 1 1 56 56 MET HB2 H 1 2.131 0.001 . 1 . 910 . . 56 MET HB2 . 18711 1 575 . 1 1 56 56 MET HB3 H 1 2.131 0.001 . 1 . 479 . . 56 MET HB3 . 18711 1 576 . 1 1 56 56 MET HG2 H 1 2.614 0.020 . 1 . 481 . . 56 MET HG2 . 18711 1 577 . 1 1 56 56 MET HG3 H 1 2.614 0.020 . 1 . 911 . . 56 MET HG3 . 18711 1 578 . 1 1 56 56 MET CA C 13 55.723 0.200 . 1 . 476 . . 56 MET CA . 18711 1 579 . 1 1 56 56 MET CB C 13 33.474 0.200 . 1 . 478 . . 56 MET CB . 18711 1 580 . 1 1 56 56 MET CG C 13 31.369 0.001 . 1 . 480 . . 56 MET CG . 18711 1 581 . 1 1 57 57 GLU HA H 1 4.831 0.021 . 1 . 483 . . 57 GLU HA . 18711 1 582 . 1 1 57 57 GLU HB2 H 1 2.057 0.020 . 2 . 485 . . 57 GLU HB2 . 18711 1 583 . 1 1 57 57 GLU HB3 H 1 1.972 0.020 . 2 . 486 . . 57 GLU HB3 . 18711 1 584 . 1 1 57 57 GLU HG2 H 1 2.548 0.020 . 1 . 912 . . 57 GLU HG2 . 18711 1 585 . 1 1 57 57 GLU HG3 H 1 2.548 0.020 . 1 . 488 . . 57 GLU HG3 . 18711 1 586 . 1 1 57 57 GLU CA C 13 54.795 0.200 . 1 . 482 . . 57 GLU CA . 18711 1 587 . 1 1 57 57 GLU CB C 13 35.916 0.177 . 1 . 484 . . 57 GLU CB . 18711 1 588 . 1 1 57 57 GLU CG C 13 32.017 0.045 . 1 . 487 . . 57 GLU CG . 18711 1 589 . 1 1 58 58 SER H H 1 8.805 0.020 . 1 . 490 . . 58 SER H . 18711 1 590 . 1 1 58 58 SER HA H 1 5.141 0.020 . 1 . 492 . . 58 SER HA . 18711 1 591 . 1 1 58 58 SER HB2 H 1 3.844 0.020 . 1 . 494 . . 58 SER HB2 . 18711 1 592 . 1 1 58 58 SER HB3 H 1 3.844 0.020 . 1 . 913 . . 58 SER HB3 . 18711 1 593 . 1 1 58 58 SER CA C 13 57.369 0.025 . 1 . 491 . . 58 SER CA . 18711 1 594 . 1 1 58 58 SER CB C 13 66.989 0.200 . 1 . 493 . . 58 SER CB . 18711 1 595 . 1 1 58 58 SER N N 15 123.126 0.200 . 1 . 489 . . 58 SER N . 18711 1 596 . 1 1 59 59 HIS H H 1 8.845 0.003 . 1 . 496 . . 59 HIS H . 18711 1 597 . 1 1 59 59 HIS HA H 1 4.654 0.005 . 1 . 498 . . 59 HIS HA . 18711 1 598 . 1 1 59 59 HIS HB2 H 1 2.982 0.020 . 2 . 500 . . 59 HIS HB2 . 18711 1 599 . 1 1 59 59 HIS HB3 H 1 2.921 0.020 . 2 . 501 . . 59 HIS HB3 . 18711 1 600 . 1 1 59 59 HIS CA C 13 54.135 0.200 . 1 . 497 . . 59 HIS CA . 18711 1 601 . 1 1 59 59 HIS CB C 13 32.193 0.103 . 1 . 499 . . 59 HIS CB . 18711 1 602 . 1 1 59 59 HIS N N 15 114.793 0.059 . 1 . 495 . . 59 HIS N . 18711 1 603 . 1 1 60 60 PRO HA H 1 4.768 0.005 . 1 . 502 . . 60 PRO HA . 18711 1 604 . 1 1 61 61 ASN HA H 1 4.588 0.006 . 1 . 504 . . 61 ASN HA . 18711 1 605 . 1 1 61 61 ASN HB2 H 1 3.172 0.014 . 2 . 506 . . 61 ASN HB2 . 18711 1 606 . 1 1 61 61 ASN HB3 H 1 2.869 0.004 . 2 . 507 . . 61 ASN HB3 . 18711 1 607 . 1 1 61 61 ASN HD21 H 1 7.537 0.042 . 1 . 509 . . 61 ASN HD21 . 18711 1 608 . 1 1 61 61 ASN HD22 H 1 6.768 0.003 . 1 . 510 . . 61 ASN HD22 . 18711 1 609 . 1 1 61 61 ASN CA C 13 52.973 0.095 . 1 . 503 . . 61 ASN CA . 18711 1 610 . 1 1 61 61 ASN CB C 13 37.540 0.046 . 1 . 505 . . 61 ASN CB . 18711 1 611 . 1 1 61 61 ASN ND2 N 15 110.915 0.186 . 1 . 508 . . 61 ASN ND2 . 18711 1 612 . 1 1 62 62 GLY H H 1 8.372 0.005 . 1 . 512 . . 62 GLY H . 18711 1 613 . 1 1 62 62 GLY HA2 H 1 4.093 0.020 . 2 . 514 . . 62 GLY HA2 . 18711 1 614 . 1 1 62 62 GLY HA3 H 1 3.756 0.020 . 2 . 515 . . 62 GLY HA3 . 18711 1 615 . 1 1 62 62 GLY CA C 13 45.782 0.053 . 1 . 513 . . 62 GLY CA . 18711 1 616 . 1 1 62 62 GLY N N 15 107.796 0.069 . 1 . 511 . . 62 GLY N . 18711 1 617 . 1 1 63 63 THR H H 1 7.303 0.020 . 1 . 517 . . 63 THR H . 18711 1 618 . 1 1 63 63 THR HA H 1 4.713 0.003 . 1 . 519 . . 63 THR HA . 18711 1 619 . 1 1 63 63 THR HB H 1 4.053 0.020 . 1 . 521 . . 63 THR HB . 18711 1 620 . 1 1 63 63 THR HG21 H 1 0.916 0.020 . 1 . 522 . . 63 THR HG21 . 18711 1 621 . 1 1 63 63 THR HG22 H 1 0.916 0.020 . 1 . 522 . . 63 THR HG22 . 18711 1 622 . 1 1 63 63 THR HG23 H 1 0.916 0.020 . 1 . 522 . . 63 THR HG23 . 18711 1 623 . 1 1 63 63 THR CA C 13 60.677 0.200 . 1 . 518 . . 63 THR CA . 18711 1 624 . 1 1 63 63 THR CB C 13 72.656 0.055 . 1 . 520 . . 63 THR CB . 18711 1 625 . 1 1 63 63 THR CG2 C 13 21.255 0.041 . 1 . 523 . . 63 THR CG2 . 18711 1 626 . 1 1 63 63 THR N N 15 109.076 0.112 . 1 . 516 . . 63 THR N . 18711 1 627 . 1 1 64 64 PHE H H 1 9.125 0.007 . 1 . 525 . . 64 PHE H . 18711 1 628 . 1 1 64 64 PHE HA H 1 5.333 0.020 . 1 . 527 . . 64 PHE HA . 18711 1 629 . 1 1 64 64 PHE CA C 13 57.329 0.200 . 1 . 526 . . 64 PHE CA . 18711 1 630 . 1 1 64 64 PHE CB C 13 42.746 0.200 . 1 . 528 . . 64 PHE CB . 18711 1 631 . 1 1 64 64 PHE N N 15 116.521 0.038 . 1 . 524 . . 64 PHE N . 18711 1 632 . 1 1 65 65 SER HA H 1 5.694 0.020 . 1 . 530 . . 65 SER HA . 18711 1 633 . 1 1 65 65 SER HB2 H 1 3.742 0.009 . 1 . 532 . . 65 SER HB2 . 18711 1 634 . 1 1 65 65 SER HB3 H 1 3.742 0.009 . 1 . 914 . . 65 SER HB3 . 18711 1 635 . 1 1 65 65 SER CA C 13 57.127 0.001 . 1 . 529 . . 65 SER CA . 18711 1 636 . 1 1 65 65 SER CB C 13 66.921 0.143 . 1 . 531 . . 65 SER CB . 18711 1 637 . 1 1 66 66 ALA H H 1 9.532 0.020 . 1 . 534 . . 66 ALA H . 18711 1 638 . 1 1 66 66 ALA HA H 1 5.393 0.020 . 1 . 536 . . 66 ALA HA . 18711 1 639 . 1 1 66 66 ALA HB1 H 1 1.150 0.020 . 1 . 537 . . 66 ALA HB1 . 18711 1 640 . 1 1 66 66 ALA HB2 H 1 1.150 0.020 . 1 . 537 . . 66 ALA HB2 . 18711 1 641 . 1 1 66 66 ALA HB3 H 1 1.150 0.020 . 1 . 537 . . 66 ALA HB3 . 18711 1 642 . 1 1 66 66 ALA CA C 13 51.008 0.019 . 1 . 535 . . 66 ALA CA . 18711 1 643 . 1 1 66 66 ALA CB C 13 25.273 0.066 . 1 . 538 . . 66 ALA CB . 18711 1 644 . 1 1 66 66 ALA N N 15 123.900 0.200 . 1 . 533 . . 66 ALA N . 18711 1 645 . 1 1 67 67 LYS H H 1 8.790 0.020 . 1 . 540 . . 67 LYS H . 18711 1 646 . 1 1 67 67 LYS HA H 1 5.495 0.020 . 1 . 542 . . 67 LYS HA . 18711 1 647 . 1 1 67 67 LYS HB2 H 1 1.607 0.020 . 1 . 544 . . 67 LYS HB2 . 18711 1 648 . 1 1 67 67 LYS HB3 H 1 1.607 0.020 . 1 . 915 . . 67 LYS HB3 . 18711 1 649 . 1 1 67 67 LYS HD2 H 1 1.544 0.020 . 1 . 547 . . 67 LYS HD2 . 18711 1 650 . 1 1 67 67 LYS HD3 H 1 1.544 0.020 . 1 . 916 . . 67 LYS HD3 . 18711 1 651 . 1 1 67 67 LYS HE2 H 1 2.821 0.011 . 1 . 549 . . 67 LYS HE2 . 18711 1 652 . 1 1 67 67 LYS HE3 H 1 2.821 0.011 . 1 . 917 . . 67 LYS HE3 . 18711 1 653 . 1 1 67 67 LYS CA C 13 54.271 0.097 . 1 . 541 . . 67 LYS CA . 18711 1 654 . 1 1 67 67 LYS CB C 13 37.040 0.353 . 1 . 543 . . 67 LYS CB . 18711 1 655 . 1 1 67 67 LYS CG C 13 25.541 0.001 . 1 . 545 . . 67 LYS CG . 18711 1 656 . 1 1 67 67 LYS CD C 13 30.181 0.255 . 1 . 546 . . 67 LYS CD . 18711 1 657 . 1 1 67 67 LYS CE C 13 42.429 0.200 . 1 . 548 . . 67 LYS CE . 18711 1 658 . 1 1 67 67 LYS N N 15 117.496 0.042 . 1 . 539 . . 67 LYS N . 18711 1 659 . 1 1 68 68 GLY H H 1 9.510 0.004 . 1 . 551 . . 68 GLY H . 18711 1 660 . 1 1 68 68 GLY HA2 H 1 5.319 0.020 . 2 . 553 . . 68 GLY HA2 . 18711 1 661 . 1 1 68 68 GLY HA3 H 1 3.062 0.020 . 2 . 554 . . 68 GLY HA3 . 18711 1 662 . 1 1 68 68 GLY CA C 13 44.942 0.021 . 1 . 552 . . 68 GLY CA . 18711 1 663 . 1 1 68 68 GLY N N 15 109.116 0.045 . 1 . 550 . . 68 GLY N . 18711 1 664 . 1 1 69 69 VAL H H 1 9.374 0.003 . 1 . 556 . . 69 VAL H . 18711 1 665 . 1 1 69 69 VAL HA H 1 5.464 0.010 . 1 . 558 . . 69 VAL HA . 18711 1 666 . 1 1 69 69 VAL HB H 1 1.894 0.012 . 1 . 560 . . 69 VAL HB . 18711 1 667 . 1 1 69 69 VAL HG11 H 1 0.910 0.010 . 2 . 561 . . 69 VAL HG11 . 18711 1 668 . 1 1 69 69 VAL HG12 H 1 0.910 0.010 . 2 . 561 . . 69 VAL HG12 . 18711 1 669 . 1 1 69 69 VAL HG13 H 1 0.910 0.010 . 2 . 561 . . 69 VAL HG13 . 18711 1 670 . 1 1 69 69 VAL HG21 H 1 0.731 0.003 . 2 . 562 . . 69 VAL HG21 . 18711 1 671 . 1 1 69 69 VAL HG22 H 1 0.731 0.003 . 2 . 562 . . 69 VAL HG22 . 18711 1 672 . 1 1 69 69 VAL HG23 H 1 0.731 0.003 . 2 . 562 . . 69 VAL HG23 . 18711 1 673 . 1 1 69 69 VAL CA C 13 61.154 0.026 . 1 . 557 . . 69 VAL CA . 18711 1 674 . 1 1 69 69 VAL CB C 13 35.303 0.135 . 1 . 559 . . 69 VAL CB . 18711 1 675 . 1 1 69 69 VAL CG1 C 13 21.351 0.054 . 2 . 563 . . 69 VAL CG1 . 18711 1 676 . 1 1 69 69 VAL CG2 C 13 21.113 0.023 . 2 . 564 . . 69 VAL CG2 . 18711 1 677 . 1 1 69 69 VAL N N 15 129.379 0.107 . 1 . 555 . . 69 VAL N . 18711 1 678 . 1 1 70 70 ALA H H 1 8.252 0.020 . 1 . 566 . . 70 ALA H . 18711 1 679 . 1 1 70 70 ALA HA H 1 4.964 0.020 . 1 . 568 . . 70 ALA HA . 18711 1 680 . 1 1 70 70 ALA HB1 H 1 0.864 0.020 . 1 . 569 . . 70 ALA HB1 . 18711 1 681 . 1 1 70 70 ALA HB2 H 1 0.864 0.020 . 1 . 569 . . 70 ALA HB2 . 18711 1 682 . 1 1 70 70 ALA HB3 H 1 0.864 0.020 . 1 . 569 . . 70 ALA HB3 . 18711 1 683 . 1 1 70 70 ALA CA C 13 50.818 0.165 . 1 . 567 . . 70 ALA CA . 18711 1 684 . 1 1 70 70 ALA CB C 13 24.211 0.036 . 1 . 570 . . 70 ALA CB . 18711 1 685 . 1 1 70 70 ALA N N 15 129.794 0.047 . 1 . 565 . . 70 ALA N . 18711 1 686 . 1 1 71 71 SER H H 1 8.902 0.003 . 1 . 572 . . 71 SER H . 18711 1 687 . 1 1 71 71 SER HA H 1 4.944 0.005 . 1 . 574 . . 71 SER HA . 18711 1 688 . 1 1 71 71 SER HB2 H 1 3.598 0.020 . 2 . 576 . . 71 SER HB2 . 18711 1 689 . 1 1 71 71 SER HB3 H 1 3.475 0.020 . 2 . 577 . . 71 SER HB3 . 18711 1 690 . 1 1 71 71 SER CA C 13 57.431 0.200 . 1 . 573 . . 71 SER CA . 18711 1 691 . 1 1 71 71 SER CB C 13 64.764 0.150 . 1 . 575 . . 71 SER CB . 18711 1 692 . 1 1 71 71 SER N N 15 116.453 0.051 . 1 . 571 . . 71 SER N . 18711 1 693 . 1 1 72 72 VAL H H 1 8.481 0.015 . 1 . 579 . . 72 VAL H . 18711 1 694 . 1 1 72 72 VAL HA H 1 4.553 0.001 . 1 . 581 . . 72 VAL HA . 18711 1 695 . 1 1 72 72 VAL HB H 1 2.067 0.012 . 1 . 583 . . 72 VAL HB . 18711 1 696 . 1 1 72 72 VAL HG11 H 1 0.175 0.002 . 2 . 584 . . 72 VAL HG11 . 18711 1 697 . 1 1 72 72 VAL HG12 H 1 0.175 0.002 . 2 . 584 . . 72 VAL HG12 . 18711 1 698 . 1 1 72 72 VAL HG13 H 1 0.175 0.002 . 2 . 584 . . 72 VAL HG13 . 18711 1 699 . 1 1 72 72 VAL HG21 H 1 0.377 0.001 . 2 . 585 . . 72 VAL HG21 . 18711 1 700 . 1 1 72 72 VAL HG22 H 1 0.377 0.001 . 2 . 585 . . 72 VAL HG22 . 18711 1 701 . 1 1 72 72 VAL HG23 H 1 0.377 0.001 . 2 . 585 . . 72 VAL HG23 . 18711 1 702 . 1 1 72 72 VAL CA C 13 58.695 0.121 . 1 . 580 . . 72 VAL CA . 18711 1 703 . 1 1 72 72 VAL CB C 13 35.089 0.029 . 1 . 582 . . 72 VAL CB . 18711 1 704 . 1 1 72 72 VAL CG1 C 13 21.989 0.030 . 2 . 586 . . 72 VAL CG1 . 18711 1 705 . 1 1 72 72 VAL CG2 C 13 18.383 0.015 . 2 . 587 . . 72 VAL CG2 . 18711 1 706 . 1 1 72 72 VAL N N 15 119.115 0.050 . 1 . 578 . . 72 VAL N . 18711 1 707 . 1 1 73 73 SER H H 1 8.992 0.004 . 1 . 589 . . 73 SER H . 18711 1 708 . 1 1 73 73 SER HA H 1 4.545 0.005 . 1 . 591 . . 73 SER HA . 18711 1 709 . 1 1 73 73 SER HB2 H 1 4.321 0.020 . 2 . 593 . . 73 SER HB2 . 18711 1 710 . 1 1 73 73 SER HB3 H 1 4.040 0.009 . 2 . 594 . . 73 SER HB3 . 18711 1 711 . 1 1 73 73 SER CA C 13 57.830 0.013 . 1 . 590 . . 73 SER CA . 18711 1 712 . 1 1 73 73 SER CB C 13 64.416 0.055 . 1 . 592 . . 73 SER CB . 18711 1 713 . 1 1 73 73 SER N N 15 117.348 0.022 . 1 . 588 . . 73 SER N . 18711 1 714 . 1 1 74 74 VAL H H 1 8.500 0.005 . 1 . 596 . . 74 VAL H . 18711 1 715 . 1 1 74 74 VAL HA H 1 3.533 0.006 . 1 . 598 . . 74 VAL HA . 18711 1 716 . 1 1 74 74 VAL HB H 1 1.874 0.006 . 1 . 600 . . 74 VAL HB . 18711 1 717 . 1 1 74 74 VAL HG11 H 1 0.808 0.001 . 2 . 601 . . 74 VAL HG11 . 18711 1 718 . 1 1 74 74 VAL HG12 H 1 0.808 0.001 . 2 . 601 . . 74 VAL HG12 . 18711 1 719 . 1 1 74 74 VAL HG13 H 1 0.808 0.001 . 2 . 601 . . 74 VAL HG13 . 18711 1 720 . 1 1 74 74 VAL HG21 H 1 0.935 0.003 . 2 . 602 . . 74 VAL HG21 . 18711 1 721 . 1 1 74 74 VAL HG22 H 1 0.935 0.003 . 2 . 602 . . 74 VAL HG22 . 18711 1 722 . 1 1 74 74 VAL HG23 H 1 0.935 0.003 . 2 . 602 . . 74 VAL HG23 . 18711 1 723 . 1 1 74 74 VAL CA C 13 66.758 0.068 . 1 . 597 . . 74 VAL CA . 18711 1 724 . 1 1 74 74 VAL CB C 13 31.924 0.093 . 1 . 599 . . 74 VAL CB . 18711 1 725 . 1 1 74 74 VAL CG1 C 13 23.438 0.023 . 2 . 603 . . 74 VAL CG1 . 18711 1 726 . 1 1 74 74 VAL CG2 C 13 22.008 0.180 . 2 . 604 . . 74 VAL CG2 . 18711 1 727 . 1 1 74 74 VAL N N 15 124.724 0.018 . 1 . 595 . . 74 VAL N . 18711 1 728 . 1 1 75 75 GLU H H 1 8.356 0.006 . 1 . 606 . . 75 GLU H . 18711 1 729 . 1 1 75 75 GLU HA H 1 4.066 0.009 . 1 . 608 . . 75 GLU HA . 18711 1 730 . 1 1 75 75 GLU HB2 H 1 2.022 0.020 . 2 . 610 . . 75 GLU HB2 . 18711 1 731 . 1 1 75 75 GLU HB3 H 1 1.938 0.020 . 2 . 611 . . 75 GLU HB3 . 18711 1 732 . 1 1 75 75 GLU HG2 H 1 2.332 0.020 . 2 . 613 . . 75 GLU HG2 . 18711 1 733 . 1 1 75 75 GLU HG3 H 1 2.300 0.020 . 2 . 614 . . 75 GLU HG3 . 18711 1 734 . 1 1 75 75 GLU CA C 13 60.212 0.001 . 1 . 607 . . 75 GLU CA . 18711 1 735 . 1 1 75 75 GLU CB C 13 29.621 0.049 . 1 . 609 . . 75 GLU CB . 18711 1 736 . 1 1 75 75 GLU CG C 13 36.899 0.054 . 1 . 612 . . 75 GLU CG . 18711 1 737 . 1 1 75 75 GLU N N 15 119.480 0.030 . 1 . 605 . . 75 GLU N . 18711 1 738 . 1 1 76 76 ASP H H 1 7.757 0.011 . 1 . 616 . . 76 ASP H . 18711 1 739 . 1 1 76 76 ASP HA H 1 4.421 0.009 . 1 . 618 . . 76 ASP HA . 18711 1 740 . 1 1 76 76 ASP HB2 H 1 3.123 0.019 . 2 . 620 . . 76 ASP HB2 . 18711 1 741 . 1 1 76 76 ASP HB3 H 1 2.646 0.010 . 2 . 621 . . 76 ASP HB3 . 18711 1 742 . 1 1 76 76 ASP CA C 13 57.947 0.164 . 1 . 617 . . 76 ASP CA . 18711 1 743 . 1 1 76 76 ASP CB C 13 40.991 0.048 . 1 . 619 . . 76 ASP CB . 18711 1 744 . 1 1 76 76 ASP N N 15 119.504 0.022 . 1 . 615 . . 76 ASP N . 18711 1 745 . 1 1 77 77 TRP H H 1 8.174 0.020 . 1 . 623 . . 77 TRP H . 18711 1 746 . 1 1 77 77 TRP HA H 1 4.545 0.011 . 1 . 625 . . 77 TRP HA . 18711 1 747 . 1 1 77 77 TRP HB2 H 1 3.317 0.027 . 2 . 627 . . 77 TRP HB2 . 18711 1 748 . 1 1 77 77 TRP HB3 H 1 3.031 0.020 . 2 . 628 . . 77 TRP HB3 . 18711 1 749 . 1 1 77 77 TRP HD1 H 1 7.030 0.009 . 1 . 632 . . 77 TRP HD1 . 18711 1 750 . 1 1 77 77 TRP HE1 H 1 10.474 0.001 . 1 . 636 . . 77 TRP HE1 . 18711 1 751 . 1 1 77 77 TRP HE3 H 1 7.332 0.012 . 1 . 633 . . 77 TRP HE3 . 18711 1 752 . 1 1 77 77 TRP HZ2 H 1 7.537 0.005 . 1 . 639 . . 77 TRP HZ2 . 18711 1 753 . 1 1 77 77 TRP HZ3 H 1 6.804 0.020 . 1 . 637 . . 77 TRP HZ3 . 18711 1 754 . 1 1 77 77 TRP HH2 H 1 6.984 0.002 . 1 . 640 . . 77 TRP HH2 . 18711 1 755 . 1 1 77 77 TRP CA C 13 60.479 0.036 . 1 . 624 . . 77 TRP CA . 18711 1 756 . 1 1 77 77 TRP CB C 13 30.192 0.117 . 1 . 626 . . 77 TRP CB . 18711 1 757 . 1 1 77 77 TRP CD1 C 13 126.718 0.200 . 1 . 629 . . 77 TRP CD1 . 18711 1 758 . 1 1 77 77 TRP CE3 C 13 121.336 0.200 . 1 . 630 . . 77 TRP CE3 . 18711 1 759 . 1 1 77 77 TRP CZ2 C 13 114.344 0.093 . 1 . 635 . . 77 TRP CZ2 . 18711 1 760 . 1 1 77 77 TRP CZ3 C 13 121.015 0.200 . 1 . 634 . . 77 TRP CZ3 . 18711 1 761 . 1 1 77 77 TRP CH2 C 13 123.639 0.200 . 1 . 638 . . 77 TRP CH2 . 18711 1 762 . 1 1 77 77 TRP N N 15 119.753 0.092 . 1 . 622 . . 77 TRP N . 18711 1 763 . 1 1 77 77 TRP NE1 N 15 128.017 0.015 . 1 . 631 . . 77 TRP NE1 . 18711 1 764 . 1 1 78 78 ASN H H 1 9.018 0.015 . 1 . 642 . . 78 ASN H . 18711 1 765 . 1 1 78 78 ASN HA H 1 4.372 0.011 . 1 . 644 . . 78 ASN HA . 18711 1 766 . 1 1 78 78 ASN HB2 H 1 2.955 0.020 . 2 . 646 . . 78 ASN HB2 . 18711 1 767 . 1 1 78 78 ASN HB3 H 1 2.813 0.020 . 2 . 647 . . 78 ASN HB3 . 18711 1 768 . 1 1 78 78 ASN HD21 H 1 7.624 0.020 . 1 . 649 . . 78 ASN HD21 . 18711 1 769 . 1 1 78 78 ASN HD22 H 1 6.756 0.015 . 1 . 650 . . 78 ASN HD22 . 18711 1 770 . 1 1 78 78 ASN CA C 13 55.421 0.109 . 1 . 643 . . 78 ASN CA . 18711 1 771 . 1 1 78 78 ASN CB C 13 38.020 0.173 . 1 . 645 . . 78 ASN CB . 18711 1 772 . 1 1 78 78 ASN N N 15 115.971 0.070 . 1 . 641 . . 78 ASN N . 18711 1 773 . 1 1 78 78 ASN ND2 N 15 111.268 0.055 . 1 . 648 . . 78 ASN ND2 . 18711 1 774 . 1 1 79 79 ASN H H 1 7.949 0.011 . 1 . 652 . . 79 ASN H . 18711 1 775 . 1 1 79 79 ASN HA H 1 4.867 0.001 . 1 . 654 . . 79 ASN HA . 18711 1 776 . 1 1 79 79 ASN HB2 H 1 3.024 0.020 . 2 . 656 . . 79 ASN HB2 . 18711 1 777 . 1 1 79 79 ASN HB3 H 1 2.918 0.020 . 2 . 657 . . 79 ASN HB3 . 18711 1 778 . 1 1 79 79 ASN HD21 H 1 7.759 0.010 . 1 . 659 . . 79 ASN HD21 . 18711 1 779 . 1 1 79 79 ASN HD22 H 1 6.984 0.016 . 1 . 660 . . 79 ASN HD22 . 18711 1 780 . 1 1 79 79 ASN CA C 13 53.444 0.200 . 1 . 653 . . 79 ASN CA . 18711 1 781 . 1 1 79 79 ASN CB C 13 38.370 0.108 . 1 . 655 . . 79 ASN CB . 18711 1 782 . 1 1 79 79 ASN N N 15 118.053 0.090 . 1 . 651 . . 79 ASN N . 18711 1 783 . 1 1 79 79 ASN ND2 N 15 112.554 0.029 . 1 . 658 . . 79 ASN ND2 . 18711 1 784 . 1 1 80 80 ARG H H 1 7.923 0.008 . 1 . 662 . . 80 ARG H . 18711 1 785 . 1 1 80 80 ARG HA H 1 4.133 0.019 . 1 . 664 . . 80 ARG HA . 18711 1 786 . 1 1 80 80 ARG HB2 H 1 1.968 0.008 . 1 . 666 . . 80 ARG HB2 . 18711 1 787 . 1 1 80 80 ARG HB3 H 1 1.968 0.008 . 1 . 918 . . 80 ARG HB3 . 18711 1 788 . 1 1 80 80 ARG HG2 H 1 1.493 0.015 . 2 . 668 . . 80 ARG HG2 . 18711 1 789 . 1 1 80 80 ARG HG3 H 1 1.316 0.015 . 2 . 669 . . 80 ARG HG3 . 18711 1 790 . 1 1 80 80 ARG HD2 H 1 3.096 0.012 . 1 . 671 . . 80 ARG HD2 . 18711 1 791 . 1 1 80 80 ARG HD3 H 1 3.096 0.012 . 1 . 919 . . 80 ARG HD3 . 18711 1 792 . 1 1 80 80 ARG CA C 13 57.783 0.087 . 1 . 663 . . 80 ARG CA . 18711 1 793 . 1 1 80 80 ARG CB C 13 26.255 0.351 . 1 . 665 . . 80 ARG CB . 18711 1 794 . 1 1 80 80 ARG CG C 13 28.625 0.146 . 1 . 667 . . 80 ARG CG . 18711 1 795 . 1 1 80 80 ARG CD C 13 43.635 0.164 . 1 . 670 . . 80 ARG CD . 18711 1 796 . 1 1 80 80 ARG N N 15 113.163 0.038 . 1 . 661 . . 80 ARG N . 18711 1 797 . 1 1 81 81 LYS H H 1 7.291 0.007 . 1 . 673 . . 81 LYS H . 18711 1 798 . 1 1 81 81 LYS HA H 1 4.080 0.029 . 1 . 675 . . 81 LYS HA . 18711 1 799 . 1 1 81 81 LYS HB2 H 1 1.557 0.020 . 1 . 677 . . 81 LYS HB2 . 18711 1 800 . 1 1 81 81 LYS HB3 H 1 1.557 0.020 . 1 . 920 . . 81 LYS HB3 . 18711 1 801 . 1 1 81 81 LYS HG2 H 1 1.402 0.045 . 2 . 679 . . 81 LYS HG2 . 18711 1 802 . 1 1 81 81 LYS HG3 H 1 1.243 0.012 . 2 . 680 . . 81 LYS HG3 . 18711 1 803 . 1 1 81 81 LYS HD2 H 1 1.621 0.020 . 1 . 682 . . 81 LYS HD2 . 18711 1 804 . 1 1 81 81 LYS HD3 H 1 1.621 0.020 . 1 . 921 . . 81 LYS HD3 . 18711 1 805 . 1 1 81 81 LYS HE2 H 1 2.958 0.029 . 1 . 684 . . 81 LYS HE2 . 18711 1 806 . 1 1 81 81 LYS HE3 H 1 2.958 0.029 . 1 . 922 . . 81 LYS HE3 . 18711 1 807 . 1 1 81 81 LYS CA C 13 57.340 0.127 . 1 . 674 . . 81 LYS CA . 18711 1 808 . 1 1 81 81 LYS CB C 13 32.702 0.143 . 1 . 676 . . 81 LYS CB . 18711 1 809 . 1 1 81 81 LYS CG C 13 26.000 0.220 . 1 . 678 . . 81 LYS CG . 18711 1 810 . 1 1 81 81 LYS CD C 13 29.266 0.200 . 1 . 681 . . 81 LYS CD . 18711 1 811 . 1 1 81 81 LYS CE C 13 42.695 0.179 . 1 . 683 . . 81 LYS CE . 18711 1 812 . 1 1 81 81 LYS N N 15 117.411 0.077 . 1 . 672 . . 81 LYS N . 18711 1 813 . 1 1 82 82 GLU H H 1 7.979 0.005 . 1 . 686 . . 82 GLU H . 18711 1 814 . 1 1 82 82 GLU HA H 1 4.844 0.008 . 1 . 688 . . 82 GLU HA . 18711 1 815 . 1 1 82 82 GLU HB2 H 1 1.983 0.020 . 2 . 690 . . 82 GLU HB2 . 18711 1 816 . 1 1 82 82 GLU HB3 H 1 1.851 0.007 . 2 . 691 . . 82 GLU HB3 . 18711 1 817 . 1 1 82 82 GLU HG2 H 1 2.290 0.020 . 2 . 693 . . 82 GLU HG2 . 18711 1 818 . 1 1 82 82 GLU HG3 H 1 2.162 0.011 . 2 . 694 . . 82 GLU HG3 . 18711 1 819 . 1 1 82 82 GLU CA C 13 55.382 0.001 . 1 . 687 . . 82 GLU CA . 18711 1 820 . 1 1 82 82 GLU CB C 13 32.939 0.064 . 1 . 689 . . 82 GLU CB . 18711 1 821 . 1 1 82 82 GLU CG C 13 38.020 0.062 . 1 . 692 . . 82 GLU CG . 18711 1 822 . 1 1 82 82 GLU N N 15 120.399 0.112 . 1 . 685 . . 82 GLU N . 18711 1 823 . 1 1 83 83 PHE H H 1 9.019 0.020 . 1 . 696 . . 83 PHE H . 18711 1 824 . 1 1 83 83 PHE HA H 1 5.117 0.002 . 1 . 698 . . 83 PHE HA . 18711 1 825 . 1 1 83 83 PHE HB2 H 1 3.186 0.020 . 2 . 700 . . 83 PHE HB2 . 18711 1 826 . 1 1 83 83 PHE HB3 H 1 2.805 0.020 . 2 . 701 . . 83 PHE HB3 . 18711 1 827 . 1 1 83 83 PHE CA C 13 57.514 0.121 . 1 . 697 . . 83 PHE CA . 18711 1 828 . 1 1 83 83 PHE CB C 13 44.066 0.200 . 1 . 699 . . 83 PHE CB . 18711 1 829 . 1 1 83 83 PHE N N 15 121.547 0.069 . 1 . 695 . . 83 PHE N . 18711 1 830 . 1 1 84 84 VAL H H 1 9.339 0.004 . 1 . 703 . . 84 VAL H . 18711 1 831 . 1 1 84 84 VAL HA H 1 4.890 0.008 . 1 . 705 . . 84 VAL HA . 18711 1 832 . 1 1 84 84 VAL HB H 1 1.684 0.001 . 1 . 707 . . 84 VAL HB . 18711 1 833 . 1 1 84 84 VAL HG11 H 1 0.510 0.020 . 2 . 708 . . 84 VAL HG11 . 18711 1 834 . 1 1 84 84 VAL HG12 H 1 0.510 0.020 . 2 . 708 . . 84 VAL HG12 . 18711 1 835 . 1 1 84 84 VAL HG13 H 1 0.510 0.020 . 2 . 708 . . 84 VAL HG13 . 18711 1 836 . 1 1 84 84 VAL HG21 H 1 0.444 0.020 . 2 . 709 . . 84 VAL HG21 . 18711 1 837 . 1 1 84 84 VAL HG22 H 1 0.444 0.020 . 2 . 709 . . 84 VAL HG22 . 18711 1 838 . 1 1 84 84 VAL HG23 H 1 0.444 0.020 . 2 . 709 . . 84 VAL HG23 . 18711 1 839 . 1 1 84 84 VAL CA C 13 60.412 0.200 . 1 . 704 . . 84 VAL CA . 18711 1 840 . 1 1 84 84 VAL CB C 13 35.647 0.022 . 1 . 706 . . 84 VAL CB . 18711 1 841 . 1 1 84 84 VAL CG1 C 13 19.887 0.019 . 2 . 710 . . 84 VAL CG1 . 18711 1 842 . 1 1 84 84 VAL CG2 C 13 21.169 0.005 . 2 . 711 . . 84 VAL CG2 . 18711 1 843 . 1 1 84 84 VAL N N 15 118.977 0.020 . 1 . 702 . . 84 VAL N . 18711 1 844 . 1 1 85 85 CYS H H 1 9.182 0.007 . 1 . 713 . . 85 CYS H . 18711 1 845 . 1 1 85 85 CYS HA H 1 4.224 0.008 . 1 . 715 . . 85 CYS HA . 18711 1 846 . 1 1 85 85 CYS HB2 H 1 2.002 0.010 . 2 . 717 . . 85 CYS HB2 . 18711 1 847 . 1 1 85 85 CYS HB3 H 1 0.552 0.006 . 2 . 718 . . 85 CYS HB3 . 18711 1 848 . 1 1 85 85 CYS CA C 13 52.416 0.060 . 1 . 714 . . 85 CYS CA . 18711 1 849 . 1 1 85 85 CYS CB C 13 40.535 0.037 . 1 . 716 . . 85 CYS CB . 18711 1 850 . 1 1 85 85 CYS N N 15 131.702 0.042 . 1 . 712 . . 85 CYS N . 18711 1 851 . 1 1 86 86 THR H H 1 8.838 0.020 . 1 . 720 . . 86 THR H . 18711 1 852 . 1 1 86 86 THR HA H 1 4.981 0.005 . 1 . 722 . . 86 THR HA . 18711 1 853 . 1 1 86 86 THR HB H 1 3.729 0.020 . 1 . 724 . . 86 THR HB . 18711 1 854 . 1 1 86 86 THR HG21 H 1 0.959 0.020 . 1 . 725 . . 86 THR HG21 . 18711 1 855 . 1 1 86 86 THR HG22 H 1 0.959 0.020 . 1 . 725 . . 86 THR HG22 . 18711 1 856 . 1 1 86 86 THR HG23 H 1 0.959 0.020 . 1 . 725 . . 86 THR HG23 . 18711 1 857 . 1 1 86 86 THR CA C 13 62.303 0.200 . 1 . 721 . . 86 THR CA . 18711 1 858 . 1 1 86 86 THR CB C 13 69.891 0.106 . 1 . 723 . . 86 THR CB . 18711 1 859 . 1 1 86 86 THR CG2 C 13 21.672 0.038 . 1 . 726 . . 86 THR CG2 . 18711 1 860 . 1 1 86 86 THR N N 15 123.399 0.165 . 1 . 719 . . 86 THR N . 18711 1 861 . 1 1 87 87 VAL H H 1 9.153 0.001 . 1 . 728 . . 87 VAL H . 18711 1 862 . 1 1 87 87 VAL HA H 1 4.969 0.009 . 1 . 730 . . 87 VAL HA . 18711 1 863 . 1 1 87 87 VAL HB H 1 1.704 0.001 . 1 . 732 . . 87 VAL HB . 18711 1 864 . 1 1 87 87 VAL HG11 H 1 0.791 0.020 . 2 . 733 . . 87 VAL HG11 . 18711 1 865 . 1 1 87 87 VAL HG12 H 1 0.791 0.020 . 2 . 733 . . 87 VAL HG12 . 18711 1 866 . 1 1 87 87 VAL HG13 H 1 0.791 0.020 . 2 . 733 . . 87 VAL HG13 . 18711 1 867 . 1 1 87 87 VAL HG21 H 1 0.745 0.020 . 2 . 734 . . 87 VAL HG21 . 18711 1 868 . 1 1 87 87 VAL HG22 H 1 0.745 0.020 . 2 . 734 . . 87 VAL HG22 . 18711 1 869 . 1 1 87 87 VAL HG23 H 1 0.745 0.020 . 2 . 734 . . 87 VAL HG23 . 18711 1 870 . 1 1 87 87 VAL CA C 13 61.996 0.599 . 1 . 729 . . 87 VAL CA . 18711 1 871 . 1 1 87 87 VAL CB C 13 35.422 0.035 . 1 . 731 . . 87 VAL CB . 18711 1 872 . 1 1 87 87 VAL CG1 C 13 22.751 0.056 . 2 . 735 . . 87 VAL CG1 . 18711 1 873 . 1 1 87 87 VAL CG2 C 13 21.190 0.090 . 2 . 736 . . 87 VAL CG2 . 18711 1 874 . 1 1 87 87 VAL N N 15 130.942 0.002 . 1 . 727 . . 87 VAL N . 18711 1 875 . 1 1 88 88 THR H H 1 8.686 0.001 . 1 . 738 . . 88 THR H . 18711 1 876 . 1 1 88 88 THR HB H 1 4.124 0.020 . 1 . 741 . . 88 THR HB . 18711 1 877 . 1 1 88 88 THR HG21 H 1 1.076 0.020 . 1 . 742 . . 88 THR HG21 . 18711 1 878 . 1 1 88 88 THR HG22 H 1 1.076 0.020 . 1 . 742 . . 88 THR HG22 . 18711 1 879 . 1 1 88 88 THR HG23 H 1 1.076 0.020 . 1 . 742 . . 88 THR HG23 . 18711 1 880 . 1 1 88 88 THR CA C 13 59.950 0.200 . 1 . 739 . . 88 THR CA . 18711 1 881 . 1 1 88 88 THR CB C 13 71.683 0.005 . 1 . 740 . . 88 THR CB . 18711 1 882 . 1 1 88 88 THR CG2 C 13 22.007 0.036 . 1 . 743 . . 88 THR CG2 . 18711 1 883 . 1 1 88 88 THR N N 15 116.699 0.002 . 1 . 737 . . 88 THR N . 18711 1 884 . 1 1 89 89 HIS H H 1 8.091 0.033 . 1 . 745 . . 89 HIS H . 18711 1 885 . 1 1 89 89 HIS HA H 1 4.317 0.008 . 1 . 747 . . 89 HIS HA . 18711 1 886 . 1 1 89 89 HIS HB2 H 1 3.325 0.020 . 2 . 749 . . 89 HIS HB2 . 18711 1 887 . 1 1 89 89 HIS HB3 H 1 2.257 0.006 . 2 . 750 . . 89 HIS HB3 . 18711 1 888 . 1 1 89 89 HIS CA C 13 58.382 0.085 . 1 . 746 . . 89 HIS CA . 18711 1 889 . 1 1 89 89 HIS CB C 13 33.462 0.205 . 1 . 748 . . 89 HIS CB . 18711 1 890 . 1 1 89 89 HIS N N 15 119.554 0.082 . 1 . 744 . . 89 HIS N . 18711 1 891 . 1 1 90 90 ARG HB2 H 1 1.842 0.020 . 2 . 753 . . 90 ARG HB2 . 18711 1 892 . 1 1 90 90 ARG HB3 H 1 1.514 0.009 . 2 . 754 . . 90 ARG HB3 . 18711 1 893 . 1 1 90 90 ARG HG2 H 1 1.507 0.020 . 2 . 756 . . 90 ARG HG2 . 18711 1 894 . 1 1 90 90 ARG HG3 H 1 1.302 0.023 . 2 . 757 . . 90 ARG HG3 . 18711 1 895 . 1 1 90 90 ARG HD2 H 1 3.026 0.001 . 1 . 759 . . 90 ARG HD2 . 18711 1 896 . 1 1 90 90 ARG HD3 H 1 3.026 0.001 . 1 . 923 . . 90 ARG HD3 . 18711 1 897 . 1 1 90 90 ARG CA C 13 59.689 0.200 . 1 . 751 . . 90 ARG CA . 18711 1 898 . 1 1 90 90 ARG CB C 13 29.878 0.112 . 1 . 752 . . 90 ARG CB . 18711 1 899 . 1 1 90 90 ARG CG C 13 25.914 0.200 . 1 . 755 . . 90 ARG CG . 18711 1 900 . 1 1 90 90 ARG CD C 13 43.959 0.115 . 1 . 758 . . 90 ARG CD . 18711 1 901 . 1 1 91 91 ASP H H 1 11.664 0.009 . 1 . 761 . . 91 ASP H . 18711 1 902 . 1 1 91 91 ASP HA H 1 4.750 0.008 . 1 . 763 . . 91 ASP HA . 18711 1 903 . 1 1 91 91 ASP HB2 H 1 2.944 0.020 . 2 . 765 . . 91 ASP HB2 . 18711 1 904 . 1 1 91 91 ASP HB3 H 1 2.829 0.020 . 2 . 766 . . 91 ASP HB3 . 18711 1 905 . 1 1 91 91 ASP CA C 13 55.570 0.200 . 1 . 762 . . 91 ASP CA . 18711 1 906 . 1 1 91 91 ASP CB C 13 40.542 0.050 . 1 . 764 . . 91 ASP CB . 18711 1 907 . 1 1 91 91 ASP N N 15 122.200 0.083 . 1 . 760 . . 91 ASP N . 18711 1 908 . 1 1 92 92 LEU H H 1 7.987 0.011 . 1 . 768 . . 92 LEU H . 18711 1 909 . 1 1 92 92 LEU HA H 1 4.901 0.022 . 1 . 770 . . 92 LEU HA . 18711 1 910 . 1 1 92 92 LEU HB2 H 1 1.991 0.008 . 2 . 772 . . 92 LEU HB2 . 18711 1 911 . 1 1 92 92 LEU HB3 H 1 1.628 0.020 . 2 . 773 . . 92 LEU HB3 . 18711 1 912 . 1 1 92 92 LEU HG H 1 1.460 0.020 . 1 . 775 . . 92 LEU HG . 18711 1 913 . 1 1 92 92 LEU HD11 H 1 0.956 0.026 . 2 . 776 . . 92 LEU HD11 . 18711 1 914 . 1 1 92 92 LEU HD12 H 1 0.956 0.026 . 2 . 776 . . 92 LEU HD12 . 18711 1 915 . 1 1 92 92 LEU HD13 H 1 0.956 0.026 . 2 . 776 . . 92 LEU HD13 . 18711 1 916 . 1 1 92 92 LEU HD21 H 1 0.766 0.004 . 2 . 777 . . 92 LEU HD21 . 18711 1 917 . 1 1 92 92 LEU HD22 H 1 0.766 0.004 . 2 . 777 . . 92 LEU HD22 . 18711 1 918 . 1 1 92 92 LEU HD23 H 1 0.766 0.004 . 2 . 777 . . 92 LEU HD23 . 18711 1 919 . 1 1 92 92 LEU CA C 13 51.806 0.061 . 1 . 769 . . 92 LEU CA . 18711 1 920 . 1 1 92 92 LEU CB C 13 43.197 0.080 . 1 . 771 . . 92 LEU CB . 18711 1 921 . 1 1 92 92 LEU CG C 13 26.575 0.200 . 1 . 774 . . 92 LEU CG . 18711 1 922 . 1 1 92 92 LEU CD1 C 13 24.570 0.153 . 2 . 778 . . 92 LEU CD1 . 18711 1 923 . 1 1 92 92 LEU CD2 C 13 26.284 0.098 . 2 . 779 . . 92 LEU CD2 . 18711 1 924 . 1 1 92 92 LEU N N 15 122.436 0.053 . 1 . 767 . . 92 LEU N . 18711 1 925 . 1 1 93 93 PRO HA H 1 4.338 0.015 . 1 . 782 . . 93 PRO HA . 18711 1 926 . 1 1 93 93 PRO HB2 H 1 2.354 0.024 . 2 . 784 . . 93 PRO HB2 . 18711 1 927 . 1 1 93 93 PRO HB3 H 1 2.056 0.020 . 2 . 785 . . 93 PRO HB3 . 18711 1 928 . 1 1 93 93 PRO HG2 H 1 2.103 0.020 . 1 . 925 . . 93 PRO HG2 . 18711 1 929 . 1 1 93 93 PRO HG3 H 1 2.103 0.020 . 1 . 787 . . 93 PRO HG3 . 18711 1 930 . 1 1 93 93 PRO HD2 H 1 3.943 0.006 . 1 . 924 . . 93 PRO HD2 . 18711 1 931 . 1 1 93 93 PRO HD3 H 1 3.943 0.006 . 1 . 788 . . 93 PRO HD3 . 18711 1 932 . 1 1 93 93 PRO CA C 13 64.754 0.087 . 1 . 781 . . 93 PRO CA . 18711 1 933 . 1 1 93 93 PRO CB C 13 32.281 0.170 . 1 . 783 . . 93 PRO CB . 18711 1 934 . 1 1 93 93 PRO CG C 13 27.507 0.066 . 1 . 786 . . 93 PRO CG . 18711 1 935 . 1 1 93 93 PRO CD C 13 51.153 0.122 . 1 . 780 . . 93 PRO CD . 18711 1 936 . 1 1 94 94 SER H H 1 7.311 0.009 . 1 . 790 . . 94 SER H . 18711 1 937 . 1 1 94 94 SER HA H 1 4.851 0.001 . 1 . 792 . . 94 SER HA . 18711 1 938 . 1 1 94 94 SER HB2 H 1 3.857 0.020 . 2 . 794 . . 94 SER HB2 . 18711 1 939 . 1 1 94 94 SER HB3 H 1 3.737 0.020 . 2 . 795 . . 94 SER HB3 . 18711 1 940 . 1 1 94 94 SER CA C 13 55.884 0.200 . 1 . 791 . . 94 SER CA . 18711 1 941 . 1 1 94 94 SER CB C 13 64.041 0.079 . 1 . 793 . . 94 SER CB . 18711 1 942 . 1 1 94 94 SER N N 15 110.260 0.055 . 1 . 789 . . 94 SER N . 18711 1 943 . 1 1 95 95 PRO HA H 1 4.603 0.020 . 1 . 798 . . 95 PRO HA . 18711 1 944 . 1 1 95 95 PRO HB2 H 1 2.048 0.020 . 2 . 800 . . 95 PRO HB2 . 18711 1 945 . 1 1 95 95 PRO HB3 H 1 1.553 0.002 . 2 . 801 . . 95 PRO HB3 . 18711 1 946 . 1 1 95 95 PRO HG2 H 1 2.016 0.020 . 2 . 803 . . 95 PRO HG2 . 18711 1 947 . 1 1 95 95 PRO HG3 H 1 1.891 0.006 . 2 . 804 . . 95 PRO HG3 . 18711 1 948 . 1 1 95 95 PRO HD2 H 1 3.583 0.004 . 2 . 805 . . 95 PRO HD2 . 18711 1 949 . 1 1 95 95 PRO HD3 H 1 3.884 0.008 . 2 . 806 . . 95 PRO HD3 . 18711 1 950 . 1 1 95 95 PRO CA C 13 63.666 0.033 . 1 . 797 . . 95 PRO CA . 18711 1 951 . 1 1 95 95 PRO CB C 13 32.640 0.032 . 1 . 799 . . 95 PRO CB . 18711 1 952 . 1 1 95 95 PRO CG C 13 27.962 0.131 . 1 . 802 . . 95 PRO CG . 18711 1 953 . 1 1 95 95 PRO CD C 13 51.073 0.045 . 1 . 796 . . 95 PRO CD . 18711 1 954 . 1 1 96 96 GLN H H 1 8.765 0.014 . 1 . 808 . . 96 GLN H . 18711 1 955 . 1 1 96 96 GLN HA H 1 4.548 0.006 . 1 . 810 . . 96 GLN HA . 18711 1 956 . 1 1 96 96 GLN HB2 H 1 1.862 0.015 . 1 . 926 . . 96 GLN HB2 . 18711 1 957 . 1 1 96 96 GLN HB3 H 1 1.862 0.015 . 1 . 812 . . 96 GLN HB3 . 18711 1 958 . 1 1 96 96 GLN HG2 H 1 2.327 0.015 . 1 . 927 . . 96 GLN HG2 . 18711 1 959 . 1 1 96 96 GLN HG3 H 1 2.327 0.015 . 1 . 814 . . 96 GLN HG3 . 18711 1 960 . 1 1 96 96 GLN HE21 H 1 7.233 0.002 . 1 . 816 . . 96 GLN HE21 . 18711 1 961 . 1 1 96 96 GLN HE22 H 1 6.840 0.004 . 1 . 817 . . 96 GLN HE22 . 18711 1 962 . 1 1 96 96 GLN CA C 13 55.037 0.069 . 1 . 809 . . 96 GLN CA . 18711 1 963 . 1 1 96 96 GLN CB C 13 31.005 0.128 . 1 . 811 . . 96 GLN CB . 18711 1 964 . 1 1 96 96 GLN CG C 13 34.873 0.028 . 1 . 813 . . 96 GLN CG . 18711 1 965 . 1 1 96 96 GLN N N 15 122.867 0.200 . 1 . 807 . . 96 GLN N . 18711 1 966 . 1 1 96 96 GLN NE2 N 15 111.807 0.049 . 1 . 815 . . 96 GLN NE2 . 18711 1 967 . 1 1 97 97 LYS H H 1 8.401 0.006 . 1 . 819 . . 97 LYS H . 18711 1 968 . 1 1 97 97 LYS HA H 1 5.366 0.018 . 1 . 821 . . 97 LYS HA . 18711 1 969 . 1 1 97 97 LYS HB2 H 1 1.565 0.020 . 2 . 823 . . 97 LYS HB2 . 18711 1 970 . 1 1 97 97 LYS HB3 H 1 1.193 0.005 . 2 . 824 . . 97 LYS HB3 . 18711 1 971 . 1 1 97 97 LYS HG2 H 1 1.303 0.020 . 2 . 826 . . 97 LYS HG2 . 18711 1 972 . 1 1 97 97 LYS HG3 H 1 1.153 0.020 . 2 . 827 . . 97 LYS HG3 . 18711 1 973 . 1 1 97 97 LYS HD2 H 1 1.556 0.018 . 2 . 829 . . 97 LYS HD2 . 18711 1 974 . 1 1 97 97 LYS HD3 H 1 1.523 0.009 . 2 . 830 . . 97 LYS HD3 . 18711 1 975 . 1 1 97 97 LYS HE2 H 1 2.855 0.004 . 2 . 832 . . 97 LYS HE2 . 18711 1 976 . 1 1 97 97 LYS HE3 H 1 2.771 0.004 . 2 . 833 . . 97 LYS HE3 . 18711 1 977 . 1 1 97 97 LYS CA C 13 54.970 0.112 . 1 . 820 . . 97 LYS CA . 18711 1 978 . 1 1 97 97 LYS CB C 13 35.574 0.090 . 1 . 822 . . 97 LYS CB . 18711 1 979 . 1 1 97 97 LYS CG C 13 25.510 0.278 . 1 . 825 . . 97 LYS CG . 18711 1 980 . 1 1 97 97 LYS CD C 13 29.862 0.134 . 1 . 828 . . 97 LYS CD . 18711 1 981 . 1 1 97 97 LYS CE C 13 42.518 0.182 . 1 . 831 . . 97 LYS CE . 18711 1 982 . 1 1 97 97 LYS N N 15 123.039 0.119 . 1 . 818 . . 97 LYS N . 18711 1 983 . 1 1 98 98 LYS H H 1 8.718 0.020 . 1 . 835 . . 98 LYS H . 18711 1 984 . 1 1 98 98 LYS HA H 1 4.649 0.015 . 1 . 837 . . 98 LYS HA . 18711 1 985 . 1 1 98 98 LYS HB2 H 1 1.912 0.020 . 2 . 839 . . 98 LYS HB2 . 18711 1 986 . 1 1 98 98 LYS HB3 H 1 1.329 0.020 . 2 . 840 . . 98 LYS HB3 . 18711 1 987 . 1 1 98 98 LYS HG2 H 1 1.261 0.020 . 2 . 842 . . 98 LYS HG2 . 18711 1 988 . 1 1 98 98 LYS HG3 H 1 1.131 0.009 . 2 . 843 . . 98 LYS HG3 . 18711 1 989 . 1 1 98 98 LYS HD2 H 1 1.858 0.006 . 2 . 845 . . 98 LYS HD2 . 18711 1 990 . 1 1 98 98 LYS HD3 H 1 1.659 0.020 . 2 . 846 . . 98 LYS HD3 . 18711 1 991 . 1 1 98 98 LYS HE2 H 1 3.090 0.006 . 1 . 848 . . 98 LYS HE2 . 18711 1 992 . 1 1 98 98 LYS HE3 H 1 3.090 0.006 . 1 . 928 . . 98 LYS HE3 . 18711 1 993 . 1 1 98 98 LYS CA C 13 53.731 0.200 . 1 . 836 . . 98 LYS CA . 18711 1 994 . 1 1 98 98 LYS CB C 13 36.727 0.068 . 1 . 838 . . 98 LYS CB . 18711 1 995 . 1 1 98 98 LYS CG C 13 25.053 0.240 . 1 . 841 . . 98 LYS CG . 18711 1 996 . 1 1 98 98 LYS CD C 13 28.368 0.108 . 1 . 844 . . 98 LYS CD . 18711 1 997 . 1 1 98 98 LYS CE C 13 42.835 0.200 . 1 . 847 . . 98 LYS CE . 18711 1 998 . 1 1 98 98 LYS N N 15 122.327 0.200 . 1 . 834 . . 98 LYS N . 18711 1 999 . 1 1 99 99 PHE H H 1 8.781 0.020 . 1 . 850 . . 99 PHE H . 18711 1 1000 . 1 1 99 99 PHE HA H 1 5.521 0.020 . 1 . 852 . . 99 PHE HA . 18711 1 1001 . 1 1 99 99 PHE HB2 H 1 3.159 0.020 . 2 . 854 . . 99 PHE HB2 . 18711 1 1002 . 1 1 99 99 PHE HB3 H 1 3.028 0.020 . 2 . 855 . . 99 PHE HB3 . 18711 1 1003 . 1 1 99 99 PHE CA C 13 57.287 0.200 . 1 . 851 . . 99 PHE CA . 18711 1 1004 . 1 1 99 99 PHE CB C 13 42.390 0.070 . 1 . 853 . . 99 PHE CB . 18711 1 1005 . 1 1 99 99 PHE N N 15 122.370 0.029 . 1 . 849 . . 99 PHE N . 18711 1 1006 . 1 1 100 100 ILE H H 1 9.530 0.005 . 1 . 857 . . 100 ILE H . 18711 1 1007 . 1 1 100 100 ILE HA H 1 4.981 0.010 . 1 . 859 . . 100 ILE HA . 18711 1 1008 . 1 1 100 100 ILE HB H 1 2.120 0.020 . 1 . 861 . . 100 ILE HB . 18711 1 1009 . 1 1 100 100 ILE HG12 H 1 2.122 0.020 . 2 . 865 . . 100 ILE HG12 . 18711 1 1010 . 1 1 100 100 ILE HG13 H 1 1.591 0.017 . 2 . 866 . . 100 ILE HG13 . 18711 1 1011 . 1 1 100 100 ILE HG21 H 1 1.355 0.003 . 1 . 862 . . 100 ILE HG21 . 18711 1 1012 . 1 1 100 100 ILE HG22 H 1 1.355 0.003 . 1 . 862 . . 100 ILE HG22 . 18711 1 1013 . 1 1 100 100 ILE HG23 H 1 1.355 0.003 . 1 . 862 . . 100 ILE HG23 . 18711 1 1014 . 1 1 100 100 ILE HD11 H 1 1.068 0.014 . 1 . 867 . . 100 ILE HD11 . 18711 1 1015 . 1 1 100 100 ILE HD12 H 1 1.068 0.014 . 1 . 867 . . 100 ILE HD12 . 18711 1 1016 . 1 1 100 100 ILE HD13 H 1 1.068 0.014 . 1 . 867 . . 100 ILE HD13 . 18711 1 1017 . 1 1 100 100 ILE CA C 13 61.475 0.063 . 1 . 858 . . 100 ILE CA . 18711 1 1018 . 1 1 100 100 ILE CB C 13 42.676 0.230 . 1 . 860 . . 100 ILE CB . 18711 1 1019 . 1 1 100 100 ILE CG1 C 13 29.923 0.034 . 1 . 864 . . 100 ILE CG1 . 18711 1 1020 . 1 1 100 100 ILE CG2 C 13 18.322 0.030 . 1 . 863 . . 100 ILE CG2 . 18711 1 1021 . 1 1 100 100 ILE CD1 C 13 14.331 0.031 . 1 . 868 . . 100 ILE CD1 . 18711 1 1022 . 1 1 100 100 ILE N N 15 121.280 0.200 . 1 . 856 . . 100 ILE N . 18711 1 1023 . 1 1 101 101 SER H H 1 7.819 0.020 . 1 . 870 . . 101 SER H . 18711 1 1024 . 1 1 101 101 SER HA H 1 4.464 0.020 . 1 . 872 . . 101 SER HA . 18711 1 1025 . 1 1 101 101 SER HB2 H 1 3.628 0.020 . 1 . 929 . . 101 SER HB2 . 18711 1 1026 . 1 1 101 101 SER HB3 H 1 3.628 0.020 . 1 . 874 . . 101 SER HB3 . 18711 1 1027 . 1 1 101 101 SER CA C 13 57.680 0.063 . 1 . 871 . . 101 SER CA . 18711 1 1028 . 1 1 101 101 SER CB C 13 66.496 0.044 . 1 . 873 . . 101 SER CB . 18711 1 1029 . 1 1 101 101 SER N N 15 117.079 0.145 . 1 . 869 . . 101 SER N . 18711 1 1030 . 1 1 102 102 LYS H H 1 8.597 0.009 . 1 . 876 . . 102 LYS H . 18711 1 1031 . 1 1 102 102 LYS HA H 1 3.447 0.007 . 1 . 878 . . 102 LYS HA . 18711 1 1032 . 1 1 102 102 LYS HB2 H 1 0.159 0.002 . 2 . 880 . . 102 LYS HB2 . 18711 1 1033 . 1 1 102 102 LYS HB3 H 1 0.931 0.014 . 2 . 881 . . 102 LYS HB3 . 18711 1 1034 . 1 1 102 102 LYS HG2 H 1 1.229 0.011 . 1 . 931 . . 102 LYS HG2 . 18711 1 1035 . 1 1 102 102 LYS HG3 H 1 1.229 0.011 . 1 . 883 . . 102 LYS HG3 . 18711 1 1036 . 1 1 102 102 LYS HD2 H 1 1.390 0.053 . 2 . 885 . . 102 LYS HD2 . 18711 1 1037 . 1 1 102 102 LYS HD3 H 1 1.426 0.020 . 2 . 886 . . 102 LYS HD3 . 18711 1 1038 . 1 1 102 102 LYS HE2 H 1 3.013 0.008 . 1 . 930 . . 102 LYS HE2 . 18711 1 1039 . 1 1 102 102 LYS HE3 H 1 3.013 0.008 . 1 . 888 . . 102 LYS HE3 . 18711 1 1040 . 1 1 102 102 LYS CA C 13 59.994 0.068 . 1 . 877 . . 102 LYS CA . 18711 1 1041 . 1 1 102 102 LYS CB C 13 33.133 0.138 . 1 . 879 . . 102 LYS CB . 18711 1 1042 . 1 1 102 102 LYS CG C 13 26.222 0.062 . 1 . 882 . . 102 LYS CG . 18711 1 1043 . 1 1 102 102 LYS CD C 13 30.797 0.161 . 1 . 884 . . 102 LYS CD . 18711 1 1044 . 1 1 102 102 LYS CE C 13 42.913 0.001 . 1 . 887 . . 102 LYS CE . 18711 1 1045 . 1 1 102 102 LYS N N 15 129.425 0.021 . 1 . 875 . . 102 LYS N . 18711 1 stop_ save_