data_16101 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16101 _Entry.Title ; NMR solution Structure of O64736 protein from Arabidopsis thaliana:Northeast Structural Genomics Consortium MEGA Target AR3445A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-31 _Entry.Accession_date 2008-12-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'O64736_ARATH protein' _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 Swapna 'G. V. T.' . . . 16101 2 Ritu Shastry . . . 16101 3 'E. L.' Foote . . . 16101 4 Colleen Ciccosanti . . . 16101 5 Mei Jiang . . . 16101 6 Rong Xiao . . . 16101 7 R Nair . . . 16101 8 John Everett . . . 16101 9 Yuanpeng Huang . . . 16101 10 Thomas Acton . . . 16101 11 B. Rost . . . 16101 12 Gaetano Montelione . T. . 16101 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 16101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 16101 '15N chemical shifts' 76 16101 '1H chemical shifts' 560 16101 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 3 . . 2010-05-27 2008-12-31 update BMRB 'edit entity/assembly name' 16101 2 . . 2009-06-01 2008-12-31 update BMRB 'added time domain data' 16101 1 . . 2009-02-19 2008-12-31 original author 'original release' 16101 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KD0 'BMRB Entry Tracking System' 16101 stop_ save_ ############### # Citations # ############### save_NESG_MEGA_target_AR3445A _Citation.Sf_category citations _Citation.Sf_framecode NESG_MEGA_target_AR3445A _Citation.Entry_ID 16101 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI O64736 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of O64736 protein from Arabidopsis thaliana' _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 Swapna 'G. V. T.' . . . 16101 1 2 Gaetano Montelione . . . 16101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16101 _Assembly.ID 1 _Assembly.Name AR3445A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9697.89 _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 AR3445A 1 $entity A . yes native no no . . . 16101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AR3445A _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 ; MGHHHHHHSHSTIKLTVKFG GKSIPLSVSPDCTVKDLKSQ LQPITNVLPRGQKLIFKGKV LVETSTLKQSDVGSGAKLML MASQG ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9196.865 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first 10 residues of the sequence MGHHHHHHSH correspond to a N-terminal tag.' _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 2KD0 . "Nmr Solution Structure Of O64736 Protein From Arabidopsis Thaliana. Northeast Structural Genomics Consortium Mega Target Ar3445" . . . . . 100.00 85 100.00 100.00 9.32e-52 . . . . 16101 1 2 no GB AAC16962 . "putative unknown protein, leucine-rich repeat [Arabidopsis thaliana]" . . . . . 88.24 902 100.00 100.00 1.23e-39 . . . . 16101 1 3 no GB AEC08345 . "uncharacterized protein AT2G30105 [Arabidopsis thaliana]" . . . . . 90.59 367 97.40 98.70 1.68e-41 . . . . 16101 1 4 no GB EFH55508 . "ubiquitin family protein [Arabidopsis lyrata subsp. lyrata]" . . . . . 88.24 900 97.33 97.33 3.05e-37 . . . . 16101 1 5 no REF NP_001189636 . "uncharacterized protein [Arabidopsis thaliana]" . . . . . 90.59 367 97.40 98.70 1.68e-41 . . . . 16101 1 6 no REF XP_002879249 . "ubiquitin family protein [Arabidopsis lyrata subsp. lyrata]" . . . . . 88.24 900 97.33 97.33 3.05e-37 . . . . 16101 1 7 no SP P0C895 . "RecName: Full=LRR repeats and ubiquitin-like domain-containing protein At2g30105" . . . . . 90.59 374 97.40 98.70 2.15e-41 . . . . 16101 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 . 16101 1 2 . GLY . 16101 1 3 . HIS . 16101 1 4 . HIS . 16101 1 5 . HIS . 16101 1 6 . HIS . 16101 1 7 . HIS . 16101 1 8 . HIS . 16101 1 9 . SER . 16101 1 10 . HIS . 16101 1 11 . SER . 16101 1 12 . THR . 16101 1 13 . ILE . 16101 1 14 . LYS . 16101 1 15 . LEU . 16101 1 16 . THR . 16101 1 17 . VAL . 16101 1 18 . LYS . 16101 1 19 . PHE . 16101 1 20 . GLY . 16101 1 21 . GLY . 16101 1 22 . LYS . 16101 1 23 . SER . 16101 1 24 . ILE . 16101 1 25 . PRO . 16101 1 26 . LEU . 16101 1 27 . SER . 16101 1 28 . VAL . 16101 1 29 . SER . 16101 1 30 . PRO . 16101 1 31 . ASP . 16101 1 32 . CYS . 16101 1 33 . THR . 16101 1 34 . VAL . 16101 1 35 . LYS . 16101 1 36 . ASP . 16101 1 37 . LEU . 16101 1 38 . LYS . 16101 1 39 . SER . 16101 1 40 . GLN . 16101 1 41 . LEU . 16101 1 42 . GLN . 16101 1 43 . PRO . 16101 1 44 . ILE . 16101 1 45 . THR . 16101 1 46 . ASN . 16101 1 47 . VAL . 16101 1 48 . LEU . 16101 1 49 . PRO . 16101 1 50 . ARG . 16101 1 51 . GLY . 16101 1 52 . GLN . 16101 1 53 . LYS . 16101 1 54 . LEU . 16101 1 55 . ILE . 16101 1 56 . PHE . 16101 1 57 . LYS . 16101 1 58 . GLY . 16101 1 59 . LYS . 16101 1 60 . VAL . 16101 1 61 . LEU . 16101 1 62 . VAL . 16101 1 63 . GLU . 16101 1 64 . THR . 16101 1 65 . SER . 16101 1 66 . THR . 16101 1 67 . LEU . 16101 1 68 . LYS . 16101 1 69 . GLN . 16101 1 70 . SER . 16101 1 71 . ASP . 16101 1 72 . VAL . 16101 1 73 . GLY . 16101 1 74 . SER . 16101 1 75 . GLY . 16101 1 76 . ALA . 16101 1 77 . LYS . 16101 1 78 . LEU . 16101 1 79 . MET . 16101 1 80 . LEU . 16101 1 81 . MET . 16101 1 82 . ALA . 16101 1 83 . SER . 16101 1 84 . GLN . 16101 1 85 . GLY . 16101 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 16101 1 . GLY 2 2 16101 1 . HIS 3 3 16101 1 . HIS 4 4 16101 1 . HIS 5 5 16101 1 . HIS 6 6 16101 1 . HIS 7 7 16101 1 . HIS 8 8 16101 1 . SER 9 9 16101 1 . HIS 10 10 16101 1 . SER 11 11 16101 1 . THR 12 12 16101 1 . ILE 13 13 16101 1 . LYS 14 14 16101 1 . LEU 15 15 16101 1 . THR 16 16 16101 1 . VAL 17 17 16101 1 . LYS 18 18 16101 1 . PHE 19 19 16101 1 . GLY 20 20 16101 1 . GLY 21 21 16101 1 . LYS 22 22 16101 1 . SER 23 23 16101 1 . ILE 24 24 16101 1 . PRO 25 25 16101 1 . LEU 26 26 16101 1 . SER 27 27 16101 1 . VAL 28 28 16101 1 . SER 29 29 16101 1 . PRO 30 30 16101 1 . ASP 31 31 16101 1 . CYS 32 32 16101 1 . THR 33 33 16101 1 . VAL 34 34 16101 1 . LYS 35 35 16101 1 . ASP 36 36 16101 1 . LEU 37 37 16101 1 . LYS 38 38 16101 1 . SER 39 39 16101 1 . GLN 40 40 16101 1 . LEU 41 41 16101 1 . GLN 42 42 16101 1 . PRO 43 43 16101 1 . ILE 44 44 16101 1 . THR 45 45 16101 1 . ASN 46 46 16101 1 . VAL 47 47 16101 1 . LEU 48 48 16101 1 . PRO 49 49 16101 1 . ARG 50 50 16101 1 . GLY 51 51 16101 1 . GLN 52 52 16101 1 . LYS 53 53 16101 1 . LEU 54 54 16101 1 . ILE 55 55 16101 1 . PHE 56 56 16101 1 . LYS 57 57 16101 1 . GLY 58 58 16101 1 . LYS 59 59 16101 1 . VAL 60 60 16101 1 . LEU 61 61 16101 1 . VAL 62 62 16101 1 . GLU 63 63 16101 1 . THR 64 64 16101 1 . SER 65 65 16101 1 . THR 66 66 16101 1 . LEU 67 67 16101 1 . LYS 68 68 16101 1 . GLN 69 69 16101 1 . SER 70 70 16101 1 . ASP 71 71 16101 1 . VAL 72 72 16101 1 . GLY 73 73 16101 1 . SER 74 74 16101 1 . GLY 75 75 16101 1 . ALA 76 76 16101 1 . LYS 77 77 16101 1 . LEU 78 78 16101 1 . MET 79 79 16101 1 . LEU 80 80 16101 1 . MET 81 81 16101 1 . ALA 82 82 16101 1 . SER 83 83 16101 1 . GLN 84 84 16101 1 . GLY 85 85 16101 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 16101 _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 $entity . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 16101 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 16101 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . 'pET 14-15C' . . . . . . 16101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16101 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.8mM AR3445A protein in 200mM NaCl, 5mM CaCl2, DSS at pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sample_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.8 . . mM 0.1 . . . 16101 1 2 CaCL2 'natural abundance' . . . . . . 5.0 . . mM . . . . 16101 1 3 NACL 'natural abundance' . . . . . . 200 . . mM . . . . 16101 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16101 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.8mM protein, 200mM NaCl, 5mM CaCl2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sample_2 '[U-10% 13C; U-100% 15N]' . . 1 $entity . . 1.80 . . mM 0.1 . . . 16101 2 2 CaCL2 'natural abundance' . . . . . . 5.0 . . mM . . . . 16101 2 3 NACL 'natural abundance' . . . . . . 200 . . mM . . . . 16101 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16101 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 205 . M 16101 1 pH 6.5 . pH 16101 1 pressure 1.0 . atm 16101 1 temperature 293 . K 16101 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16101 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 205 . M 16101 2 pH 6.5 . pH 16101 2 pressure 1.0 . atm 16101 2 temperature 293 . K 16101 2 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16101 _Software.ID 1 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details 'NOESY ASSIGNMENTS' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16101 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16101 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16101 _Software.ID 2 _Software.Name AutoAssign _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16101 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16101 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16101 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16101 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16101 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16101 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16101 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16101 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16101 _Software.ID 5 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16101 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16101 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16101 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16101 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16101 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16101 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16101 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16101 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'Equipped with cryoprobe' . . 16101 1 2 spectrometer_2 Bruker Avance . 600 'Equipped with cryoprobe' . . 16101 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 16101 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 3 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 5 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 6 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 7 '3D HBHANH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16101 1 8 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 9 '3D 1H-13C NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 10 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16101 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16101 _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 0.0 internal indirect 0.251449530 . . . 1 $NESG_MEGA_target_AR3445A . . 1 $NESG_MEGA_target_AR3445A 16101 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000 . . . 1 $NESG_MEGA_target_AR3445A . . 1 $NESG_MEGA_target_AR3445A 16101 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . 1 $NESG_MEGA_target_AR3445A . . 1 $NESG_MEGA_target_AR3445A 16101 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16101 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16101 1 2 '2D 1H-13C HSQC' . . . 16101 1 3 '3D CBCA(CO)NH' . . . 16101 1 4 '3D HNCACB' . . . 16101 1 5 '3D HBHA(CO)NH' . . . 16101 1 6 '3D HNCO' . . . 16101 1 7 '3D HBHANH' . . . 16101 1 8 '3D HCCH-TOCSY' . . . 16101 1 9 '2D 1H-13C HSQC' . . . 16101 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $AutoAssign . . 16101 1 3 $NMRPipe . . 16101 1 6 $SPARKY . . 16101 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 10 10 HIS HA H 1 4.506 0.05 . 1 . . . . 10 His HA . 16101 1 2 . 1 1 10 10 HIS HB2 H 1 1.953 0.05 . 2 . . . . 10 His HB2 . 16101 1 3 . 1 1 10 10 HIS HB3 H 1 2.094 0.05 . 2 . . . . 10 His HB3 . 16101 1 4 . 1 1 10 10 HIS C C 13 176.04 0.5 . 1 . . . . 10 His C . 16101 1 5 . 1 1 10 10 HIS CA C 13 55.85 0.5 . 1 . . . . 10 His CA . 16101 1 6 . 1 1 10 10 HIS CB C 13 33.25 0.5 . 1 . . . . 10 His CB . 16101 1 7 . 1 1 11 11 SER H H 1 8.462 0.05 . 1 . . . . 11 Ser H . 16101 1 8 . 1 1 11 11 SER HA H 1 4.516 0.05 . 1 . . . . 11 Ser HA . 16101 1 9 . 1 1 11 11 SER HB2 H 1 3.881 0.05 . 2 . . . . 11 Ser HB2 . 16101 1 10 . 1 1 11 11 SER C C 13 174.05 0.5 . 1 . . . . 11 Ser C . 16101 1 11 . 1 1 11 11 SER CA C 13 59.054 0.5 . 1 . . . . 11 Ser CA . 16101 1 12 . 1 1 11 11 SER CB C 13 63.85 0.5 . 1 . . . . 11 Ser CB . 16101 1 13 . 1 1 11 11 SER N N 15 117.9 0.5 . 1 . . . . 11 Ser N . 16101 1 14 . 1 1 12 12 THR H H 1 7.923 0.05 . 1 . . . . 12 Thr H . 16101 1 15 . 1 1 12 12 THR HA H 1 4.581 0.05 . 1 . . . . 12 Thr HA . 16101 1 16 . 1 1 12 12 THR HB H 1 3.945 0.05 . 1 . . . . 12 Thr HB . 16101 1 17 . 1 1 12 12 THR HG21 H 1 1.002 0.05 . 1 . . . . 12 Thr HG2 . 16101 1 18 . 1 1 12 12 THR HG22 H 1 1.002 0.05 . 1 . . . . 12 Thr HG2 . 16101 1 19 . 1 1 12 12 THR HG23 H 1 1.002 0.05 . 1 . . . . 12 Thr HG2 . 16101 1 20 . 1 1 12 12 THR C C 13 174.14 0.5 . 1 . . . . 12 Thr C . 16101 1 21 . 1 1 12 12 THR CA C 13 61.245 0.5 . 1 . . . . 12 Thr CA . 16101 1 22 . 1 1 12 12 THR CB C 13 71.94 0.5 . 1 . . . . 12 Thr CB . 16101 1 23 . 1 1 12 12 THR CG2 C 13 22.021 0.5 . 1 . . . . 12 Thr CG2 . 16101 1 24 . 1 1 12 12 THR N N 15 112.783 0.5 . 1 . . . . 12 Thr N . 16101 1 25 . 1 1 13 13 ILE H H 1 9.201 0.05 . 1 . . . . 13 Ile H . 16101 1 26 . 1 1 13 13 ILE HA H 1 4.532 0.05 . 1 . . . . 13 Ile HA . 16101 1 27 . 1 1 13 13 ILE HB H 1 1.595 0.05 . 1 . . . . 13 Ile HB . 16101 1 28 . 1 1 13 13 ILE HD11 H 1 0.622 0.05 . 1 . . . . 13 Ile HD1 . 16101 1 29 . 1 1 13 13 ILE HD12 H 1 0.622 0.05 . 1 . . . . 13 Ile HD1 . 16101 1 30 . 1 1 13 13 ILE HD13 H 1 0.622 0.05 . 1 . . . . 13 Ile HD1 . 16101 1 31 . 1 1 13 13 ILE HG12 H 1 0.862 0.05 . 2 . . . . 13 Ile HG12 . 16101 1 32 . 1 1 13 13 ILE HG13 H 1 1.345 0.05 . 2 . . . . 13 Ile HG13 . 16101 1 33 . 1 1 13 13 ILE HG21 H 1 0.871 0.05 . 1 . . . . 13 Ile HG2 . 16101 1 34 . 1 1 13 13 ILE HG22 H 1 0.871 0.05 . 1 . . . . 13 Ile HG2 . 16101 1 35 . 1 1 13 13 ILE HG23 H 1 0.871 0.05 . 1 . . . . 13 Ile HG2 . 16101 1 36 . 1 1 13 13 ILE C C 13 173.93 0.5 . 1 . . . . 13 Ile C . 16101 1 37 . 1 1 13 13 ILE CA C 13 59.72 0.5 . 1 . . . . 13 Ile CA . 16101 1 38 . 1 1 13 13 ILE CB C 13 41.597 0.5 . 1 . . . . 13 Ile CB . 16101 1 39 . 1 1 13 13 ILE CD1 C 13 14.07 0.5 . 1 . . . . 13 Ile CD1 . 16101 1 40 . 1 1 13 13 ILE CG1 C 13 26.04 0.5 . 1 . . . . 13 Ile CG1 . 16101 1 41 . 1 1 13 13 ILE CG2 C 13 18.84 0.5 . 1 . . . . 13 Ile CG2 . 16101 1 42 . 1 1 13 13 ILE N N 15 117.602 0.5 . 1 . . . . 13 Ile N . 16101 1 43 . 1 1 14 14 LYS H H 1 8.077 0.05 . 1 . . . . 14 Lys H . 16101 1 44 . 1 1 14 14 LYS HA H 1 5.11 0.05 . 1 . . . . 14 Lys HA . 16101 1 45 . 1 1 14 14 LYS HB2 H 1 1.886 0.05 . 2 . . . . 14 Lys HB2 . 16101 1 46 . 1 1 14 14 LYS HB3 H 1 1.668 0.05 . 2 . . . . 14 Lys HB3 . 16101 1 47 . 1 1 14 14 LYS HD2 H 1 1.613 0.05 . 2 . . . . 14 Lys HD2 . 16101 1 48 . 1 1 14 14 LYS HD3 H 1 1.613 0.05 . 2 . . . . 14 Lys HD3 . 16101 1 49 . 1 1 14 14 LYS HE2 H 1 2.908 0.05 . 2 . . . . 14 Lys HE2 . 16101 1 50 . 1 1 14 14 LYS HE3 H 1 2.908 0.05 . 2 . . . . 14 Lys HE3 . 16101 1 51 . 1 1 14 14 LYS HG2 H 1 1.44 0.05 . 2 . . . . 14 Lys HG2 . 16101 1 52 . 1 1 14 14 LYS HG3 H 1 1.37 0.05 . 2 . . . . 14 Lys HG3 . 16101 1 53 . 1 1 14 14 LYS C C 13 175.36 0.5 . 1 . . . . 14 Lys C . 16101 1 54 . 1 1 14 14 LYS CA C 13 55.20 0.5 . 1 . . . . 14 Lys CA . 16101 1 55 . 1 1 14 14 LYS CB C 13 33.13 0.5 . 1 . . . . 14 Lys CB . 16101 1 56 . 1 1 14 14 LYS CD C 13 29.806 0.5 . 1 . . . . 14 Lys CD . 16101 1 57 . 1 1 14 14 LYS CE C 13 42.59 0.5 . 1 . . . . 14 Lys CE . 16101 1 58 . 1 1 14 14 LYS CG C 13 24.95 0.5 . 1 . . . . 14 Lys CG . 16101 1 59 . 1 1 14 14 LYS N N 15 122.699 0.5 . 1 . . . . 14 Lys N . 16101 1 60 . 1 1 15 15 LEU H H 1 8.953 0.05 . 1 . . . . 15 Leu H . 16101 1 61 . 1 1 15 15 LEU HA H 1 5.025 0.05 . 1 . . . . 15 Leu HA . 16101 1 62 . 1 1 15 15 LEU HB2 H 1 1.626 0.05 . 2 . . . . 15 Leu HB2 . 16101 1 63 . 1 1 15 15 LEU HB3 H 1 1.548 0.05 . 2 . . . . 15 Leu HB3 . 16101 1 64 . 1 1 15 15 LEU HD11 H 1 0.562 0.05 . 2 . . . . 15 Leu HD1 . 16101 1 65 . 1 1 15 15 LEU HD12 H 1 0.562 0.05 . 2 . . . . 15 Leu HD1 . 16101 1 66 . 1 1 15 15 LEU HD13 H 1 0.562 0.05 . 2 . . . . 15 Leu HD1 . 16101 1 67 . 1 1 15 15 LEU HD21 H 1 0.614 0.05 . 2 . . . . 15 Leu HD2 . 16101 1 68 . 1 1 15 15 LEU HD22 H 1 0.614 0.05 . 2 . . . . 15 Leu HD2 . 16101 1 69 . 1 1 15 15 LEU HD23 H 1 0.614 0.05 . 2 . . . . 15 Leu HD2 . 16101 1 70 . 1 1 15 15 LEU HG H 1 1.502 0.05 . 1 . . . . 15 Leu HG . 16101 1 71 . 1 1 15 15 LEU C C 13 176.4 0.5 . 1 . . . . 15 Leu C . 16101 1 72 . 1 1 15 15 LEU CA C 13 53.62 0.5 . 1 . . . . 15 Leu CA . 16101 1 73 . 1 1 15 15 LEU CB C 13 45.38 0.5 . 1 . . . . 15 Leu CB . 16101 1 74 . 1 1 15 15 LEU CD1 C 13 26.86 0.5 . 2 . . . . 15 Leu CD1 . 16101 1 75 . 1 1 15 15 LEU CD2 C 13 26.15 0.5 . 2 . . . . 15 Leu CD2 . 16101 1 76 . 1 1 15 15 LEU CG C 13 26.36 0.5 . 1 . . . . 15 Leu CG . 16101 1 77 . 1 1 15 15 LEU N N 15 121.650 0.5 . 1 . . . . 15 Leu N . 16101 1 78 . 1 1 16 16 THR H H 1 8.412 0.05 . 1 . . . . 16 Thr H . 16101 1 79 . 1 1 16 16 THR HA H 1 5.075 0.05 . 1 . . . . 16 Thr HA . 16101 1 80 . 1 1 16 16 THR HB H 1 3.860 0.05 . 1 . . . . 16 Thr HB . 16101 1 81 . 1 1 16 16 THR HG21 H 1 1.055 0.05 . 1 . . . . 16 Thr HG2 . 16101 1 82 . 1 1 16 16 THR HG22 H 1 1.055 0.05 . 1 . . . . 16 Thr HG2 . 16101 1 83 . 1 1 16 16 THR HG23 H 1 1.055 0.05 . 1 . . . . 16 Thr HG2 . 16101 1 84 . 1 1 16 16 THR C C 13 173.07 0.5 . 1 . . . . 16 Thr C . 16101 1 85 . 1 1 16 16 THR CA C 13 61.38 0.5 . 1 . . . . 16 Thr CA . 16101 1 86 . 1 1 16 16 THR CB C 13 71.70 0.5 . 1 . . . . 16 Thr CB . 16101 1 87 . 1 1 16 16 THR CG2 C 13 21.83 0.5 . 1 . . . . 16 Thr CG2 . 16101 1 88 . 1 1 16 16 THR N N 15 114.701 0.5 . 1 . . . . 16 Thr N . 16101 1 89 . 1 1 17 17 VAL H H 1 9.083 0.05 . 1 . . . . 17 Val H . 16101 1 90 . 1 1 17 17 VAL HA H 1 4.600 0.05 . 1 . . . . 17 Val HA . 16101 1 91 . 1 1 17 17 VAL HB H 1 1.953 0.05 . 1 . . . . 17 Val HB . 16101 1 92 . 1 1 17 17 VAL HG11 H 1 0.818 0.05 . 2 . . . . 17 Val HG1 . 16101 1 93 . 1 1 17 17 VAL HG12 H 1 0.818 0.05 . 2 . . . . 17 Val HG1 . 16101 1 94 . 1 1 17 17 VAL HG13 H 1 0.818 0.05 . 2 . . . . 17 Val HG1 . 16101 1 95 . 1 1 17 17 VAL HG21 H 1 0.737 0.05 . 2 . . . . 17 Val HG2 . 16101 1 96 . 1 1 17 17 VAL HG22 H 1 0.737 0.05 . 2 . . . . 17 Val HG2 . 16101 1 97 . 1 1 17 17 VAL HG23 H 1 0.737 0.05 . 2 . . . . 17 Val HG2 . 16101 1 98 . 1 1 17 17 VAL C C 13 174.57 0.5 . 1 . . . . 17 Val C . 16101 1 99 . 1 1 17 17 VAL CA C 13 61.005 0.5 . 1 . . . . 17 Val CA . 16101 1 100 . 1 1 17 17 VAL CB C 13 33.6 0.5 . 1 . . . . 17 Val CB . 16101 1 101 . 1 1 17 17 VAL CG1 C 13 21.710 0.5 . 2 . . . . 17 Val CG1 . 16101 1 102 . 1 1 17 17 VAL CG2 C 13 22.310 0.5 . 2 . . . . 17 Val CG2 . 16101 1 103 . 1 1 17 17 VAL N N 15 125.565 0.5 . 1 . . . . 17 Val N . 16101 1 104 . 1 1 18 18 LYS H H 1 9.183 0.05 . 1 . . . . 18 Lys H . 16101 1 105 . 1 1 18 18 LYS HA H 1 5.156 0.05 . 1 . . . . 18 Lys HA . 16101 1 106 . 1 1 18 18 LYS HB2 H 1 1.883 0.05 . 2 . . . . 18 Lys HB2 . 16101 1 107 . 1 1 18 18 LYS HB3 H 1 2.040 0.05 . 2 . . . . 18 Lys HB3 . 16101 1 108 . 1 1 18 18 LYS HD2 H 1 1.622 0.05 . 2 . . . . 18 Lys HD2 . 16101 1 109 . 1 1 18 18 LYS HD3 H 1 1.622 0.05 . 2 . . . . 18 Lys HD3 . 16101 1 110 . 1 1 18 18 LYS HE2 H 1 2.939 0.05 . 2 . . . . 18 Lys HE2 . 16101 1 111 . 1 1 18 18 LYS HE3 H 1 2.939 0.05 . 2 . . . . 18 Lys HE3 . 16101 1 112 . 1 1 18 18 LYS HG2 H 1 1.43 0.05 . 2 . . . . 18 Lys HG2 . 16101 1 113 . 1 1 18 18 LYS HG3 H 1 1.43 0.05 . 2 . . . . 18 Lys HG3 . 16101 1 114 . 1 1 18 18 LYS C C 13 175.15 0.5 . 1 . . . . 18 Lys C . 16101 1 115 . 1 1 18 18 LYS CA C 13 54.63 0.5 . 1 . . . . 18 Lys CA . 16101 1 116 . 1 1 18 18 LYS CB C 13 33.217 0.5 . 1 . . . . 18 Lys CB . 16101 1 117 . 1 1 18 18 LYS CD C 13 29.29 0.5 . 1 . . . . 18 Lys CD . 16101 1 118 . 1 1 18 18 LYS CE C 13 42.53 0.5 . 1 . . . . 18 Lys CE . 16101 1 119 . 1 1 18 18 LYS CG C 13 24.73 0.5 . 1 . . . . 18 Lys CG . 16101 1 120 . 1 1 18 18 LYS N N 15 129.200 0.5 . 1 . . . . 18 Lys N . 16101 1 121 . 1 1 19 19 PHE H H 1 8.927 0.05 . 1 . . . . 19 Phe H . 16101 1 122 . 1 1 19 19 PHE HA H 1 5.377 0.05 . 1 . . . . 19 Phe HA . 16101 1 123 . 1 1 19 19 PHE HB2 H 1 2.857 0.05 . 2 . . . . 19 Phe HB2 . 16101 1 124 . 1 1 19 19 PHE HB3 H 1 2.948 0.05 . 2 . . . . 19 Phe HB3 . 16101 1 125 . 1 1 19 19 PHE HD1 H 1 7.319 0.05 . 1 . . . . 19 Phe HD1 . 16101 1 126 . 1 1 19 19 PHE HD2 H 1 7.319 0.05 . 1 . . . . 19 Phe HD2 . 16101 1 127 . 1 1 19 19 PHE HE1 H 1 7.319 0.05 . 1 . . . . 19 Phe HE1 . 16101 1 128 . 1 1 19 19 PHE HE2 H 1 7.319 0.05 . 1 . . . . 19 Phe HE2 . 16101 1 129 . 1 1 19 19 PHE C C 13 175.85 0.5 . 1 . . . . 19 Phe C . 16101 1 130 . 1 1 19 19 PHE CA C 13 55.33 0.5 . 1 . . . . 19 Phe CA . 16101 1 131 . 1 1 19 19 PHE CB C 13 41.69 0.5 . 1 . . . . 19 Phe CB . 16101 1 132 . 1 1 19 19 PHE CD1 C 13 131.4 0.5 . 1 . . . . 19 Phe CD1 . 16101 1 133 . 1 1 19 19 PHE CD2 C 13 131.4 0.5 . 1 . . . . 19 Phe CD2 . 16101 1 134 . 1 1 19 19 PHE CE1 C 13 130.7 0.5 . 1 . . . . 19 Phe CE1 . 16101 1 135 . 1 1 19 19 PHE CE2 C 13 130.7 0.5 . 1 . . . . 19 Phe CE2 . 16101 1 136 . 1 1 19 19 PHE N N 15 126.659 0.5 . 1 . . . . 19 Phe N . 16101 1 137 . 1 1 19 19 PHE CZ C 13 130.500 0.5 . 1 . . . . 19 Phe CZ . 16101 1 138 . 1 1 19 19 PHE HZ H 1 7.250 0.05 . 1 . . . . 19 Phe HZ . 16101 1 139 . 1 1 20 20 GLY H H 1 9.275 0.05 . 1 . . . . 20 Gly H . 16101 1 140 . 1 1 20 20 GLY HA2 H 1 3.580 0.05 . 2 . . . . 20 Gly HA2 . 16101 1 141 . 1 1 20 20 GLY HA3 H 1 3.578 0.05 . 2 . . . . 20 Gly HA3 . 16101 1 142 . 1 1 20 20 GLY C C 13 175.09 0.5 . 1 . . . . 20 Gly C . 16101 1 143 . 1 1 20 20 GLY CA C 13 47.07 0.5 . 1 . . . . 20 Gly CA . 16101 1 144 . 1 1 20 20 GLY N N 15 119.629 0.5 . 1 . . . . 20 Gly N . 16101 1 145 . 1 1 21 21 GLY H H 1 8.819 0.05 . 1 . . . . 21 Gly H . 16101 1 146 . 1 1 21 21 GLY HA2 H 1 3.942 0.05 . 2 . . . . 21 Gly HA2 . 16101 1 147 . 1 1 21 21 GLY HA3 H 1 3.942 0.05 . 2 . . . . 21 Gly HA3 . 16101 1 148 . 1 1 21 21 GLY C C 13 173.89 0.5 . 1 . . . . 21 Gly C . 16101 1 149 . 1 1 21 21 GLY CA C 13 45.29 0.5 . 1 . . . . 21 Gly CA . 16101 1 150 . 1 1 21 21 GLY N N 15 111.500 0.5 . 1 . . . . 21 Gly N . 16101 1 151 . 1 1 22 22 LYS H H 1 7.975 0.05 . 1 . . . . 22 Lys H . 16101 1 152 . 1 1 22 22 LYS HA H 1 4.616 0.05 . 1 . . . . 22 Lys HA . 16101 1 153 . 1 1 22 22 LYS HB2 H 1 1.975 0.05 . 2 . . . . 22 Lys HB2 . 16101 1 154 . 1 1 22 22 LYS HB3 H 1 1.975 0.05 . 2 . . . . 22 Lys HB3 . 16101 1 155 . 1 1 22 22 LYS HD2 H 1 1.743 0.05 . 2 . . . . 22 Lys HD2 . 16101 1 156 . 1 1 22 22 LYS HD3 H 1 1.743 0.05 . 2 . . . . 22 Lys HD3 . 16101 1 157 . 1 1 22 22 LYS HE2 H 1 3.03 0.05 . 2 . . . . 22 Lys HE2 . 16101 1 158 . 1 1 22 22 LYS HE3 H 1 3.03 0.05 . 2 . . . . 22 Lys HE3 . 16101 1 159 . 1 1 22 22 LYS HG2 H 1 1.43 0.05 . 2 . . . . 22 Lys HG2 . 16101 1 160 . 1 1 22 22 LYS HG3 H 1 1.506 0.05 . 2 . . . . 22 Lys HG3 . 16101 1 161 . 1 1 22 22 LYS C C 13 175.45 0.5 . 1 . . . . 22 Lys C . 16101 1 162 . 1 1 22 22 LYS CA C 13 55.514 0.5 . 1 . . . . 22 Lys CA . 16101 1 163 . 1 1 22 22 LYS CB C 13 34.79 0.5 . 1 . . . . 22 Lys CB . 16101 1 164 . 1 1 22 22 LYS CD C 13 29.34 0.5 . 1 . . . . 22 Lys CD . 16101 1 165 . 1 1 22 22 LYS CE C 13 42.643 0.5 . 1 . . . . 22 Lys CE . 16101 1 166 . 1 1 22 22 LYS CG C 13 25.500 0.5 . 1 . . . . 22 Lys CG . 16101 1 167 . 1 1 22 22 LYS N N 15 121.832 0.5 . 1 . . . . 22 Lys N . 16101 1 168 . 1 1 23 23 SER H H 1 8.722 0.05 . 1 . . . . 23 Ser H . 16101 1 169 . 1 1 23 23 SER HA H 1 4.841 0.05 . 1 . . . . 23 Ser HA . 16101 1 170 . 1 1 23 23 SER HB2 H 1 3.645 0.05 . 2 . . . . 23 Ser HB2 . 16101 1 171 . 1 1 23 23 SER HB3 H 1 3.720 0.05 . 2 . . . . 23 Ser HB3 . 16101 1 172 . 1 1 23 23 SER C C 13 173.91 0.5 . 1 . . . . 23 Ser C . 16101 1 173 . 1 1 23 23 SER CA C 13 58.344 0.5 . 1 . . . . 23 Ser CA . 16101 1 174 . 1 1 23 23 SER CB C 13 64.237 0.5 . 1 . . . . 23 Ser CB . 16101 1 175 . 1 1 23 23 SER N N 15 119.004 0.5 . 1 . . . . 23 Ser N . 16101 1 176 . 1 1 24 24 ILE H H 1 9.444 0.05 . 1 . . . . 24 Ile H . 16101 1 177 . 1 1 24 24 ILE HA H 1 4.502 0.05 . 1 . . . . 24 Ile HA . 16101 1 178 . 1 1 24 24 ILE HB H 1 2.024 0.05 . 1 . . . . 24 Ile HB . 16101 1 179 . 1 1 24 24 ILE HD11 H 1 0.77 0.05 . 1 . . . . 24 Ile HD1 . 16101 1 180 . 1 1 24 24 ILE HD12 H 1 0.77 0.05 . 1 . . . . 24 Ile HD1 . 16101 1 181 . 1 1 24 24 ILE HD13 H 1 0.77 0.05 . 1 . . . . 24 Ile HD1 . 16101 1 182 . 1 1 24 24 ILE HG12 H 1 1.05 0.05 . 2 . . . . 24 Ile HG12 . 16101 1 183 . 1 1 24 24 ILE HG13 H 1 1.61 0.05 . 2 . . . . 24 Ile HG13 . 16101 1 184 . 1 1 24 24 ILE HG21 H 1 0.8297 0.05 . 1 . . . . 24 Ile HG2 . 16101 1 185 . 1 1 24 24 ILE HG22 H 1 0.8297 0.05 . 1 . . . . 24 Ile HG2 . 16101 1 186 . 1 1 24 24 ILE HG23 H 1 0.8297 0.05 . 1 . . . . 24 Ile HG2 . 16101 1 187 . 1 1 24 24 ILE C C 13 173.59 0.5 . 1 . . . . 24 Ile C . 16101 1 188 . 1 1 24 24 ILE CA C 13 59.145 0.5 . 1 . . . . 24 Ile CA . 16101 1 189 . 1 1 24 24 ILE CB C 13 40.62 0.5 . 1 . . . . 24 Ile CB . 16101 1 190 . 1 1 24 24 ILE CD1 C 13 14.82 0.5 . 1 . . . . 24 Ile CD1 . 16101 1 191 . 1 1 24 24 ILE CG1 C 13 27.366 0.5 . 1 . . . . 24 Ile CG1 . 16101 1 192 . 1 1 24 24 ILE CG2 C 13 17.75 0.5 . 1 . . . . 24 Ile CG2 . 16101 1 193 . 1 1 24 24 ILE N N 15 129.205 0.5 . 1 . . . . 24 Ile N . 16101 1 194 . 1 1 25 25 PRO HA H 1 5.179 0.05 . 1 . . . . 25 Pro HA . 16101 1 195 . 1 1 25 25 PRO HB2 H 1 2.181 0.05 . 2 . . . . 25 Pro HB2 . 16101 1 196 . 1 1 25 25 PRO HB3 H 1 1.969 0.05 . 2 . . . . 25 Pro HB3 . 16101 1 197 . 1 1 25 25 PRO HD2 H 1 3.97 0.05 . 2 . . . . 25 Pro HD2 . 16101 1 198 . 1 1 25 25 PRO HD3 H 1 3.88 0.05 . 2 . . . . 25 Pro HD3 . 16101 1 199 . 1 1 25 25 PRO HG2 H 1 2.272 0.05 . 2 . . . . 25 Pro HG2 . 16101 1 200 . 1 1 25 25 PRO HG3 H 1 2.053 0.05 . 2 . . . . 25 Pro HG3 . 16101 1 201 . 1 1 25 25 PRO C C 13 176.75 0.5 . 1 . . . . 25 Pro C . 16101 1 202 . 1 1 25 25 PRO CA C 13 61.74 0.5 . 1 . . . . 25 Pro CA . 16101 1 203 . 1 1 25 25 PRO CB C 13 32.01 0.5 . 1 . . . . 25 Pro CB . 16101 1 204 . 1 1 25 25 PRO CD C 13 50.85 0.5 . 1 . . . . 25 Pro CD . 16101 1 205 . 1 1 25 25 PRO CG C 13 26.85 0.5 . 1 . . . . 25 Pro CG . 16101 1 206 . 1 1 26 26 LEU H H 1 8.720 0.05 . 1 . . . . 26 Leu H . 16101 1 207 . 1 1 26 26 LEU HA H 1 4.731 0.05 . 1 . . . . 26 Leu HA . 16101 1 208 . 1 1 26 26 LEU HB2 H 1 1.319 0.05 . 2 . . . . 26 Leu HB2 . 16101 1 209 . 1 1 26 26 LEU HB3 H 1 1.318 0.05 . 2 . . . . 26 Leu HB3 . 16101 1 210 . 1 1 26 26 LEU HD11 H 1 0.7538 0.05 . 2 . . . . 26 Leu HD1 . 16101 1 211 . 1 1 26 26 LEU HD12 H 1 0.7538 0.05 . 2 . . . . 26 Leu HD1 . 16101 1 212 . 1 1 26 26 LEU HD13 H 1 0.7538 0.05 . 2 . . . . 26 Leu HD1 . 16101 1 213 . 1 1 26 26 LEU HD21 H 1 0.641 0.05 . 2 . . . . 26 Leu HD2 . 16101 1 214 . 1 1 26 26 LEU HD22 H 1 0.641 0.05 . 2 . . . . 26 Leu HD2 . 16101 1 215 . 1 1 26 26 LEU HD23 H 1 0.641 0.05 . 2 . . . . 26 Leu HD2 . 16101 1 216 . 1 1 26 26 LEU HG H 1 1.477 0.05 . 1 . . . . 26 Leu HG . 16101 1 217 . 1 1 26 26 LEU C C 13 175.45 0.5 . 1 . . . . 26 Leu C . 16101 1 218 . 1 1 26 26 LEU CA C 13 54.731 0.5 . 1 . . . . 26 Leu CA . 16101 1 219 . 1 1 26 26 LEU CB C 13 47.766 0.5 . 1 . . . . 26 Leu CB . 16101 1 220 . 1 1 26 26 LEU CD1 C 13 23.870 0.5 . 2 . . . . 26 Leu CD1 . 16101 1 221 . 1 1 26 26 LEU CD2 C 13 26.75 0.5 . 2 . . . . 26 Leu CD2 . 16101 1 222 . 1 1 26 26 LEU CG C 13 27.134 0.5 . 1 . . . . 26 Leu CG . 16101 1 223 . 1 1 26 26 LEU N N 15 122.986 0.5 . 1 . . . . 26 Leu N . 16101 1 224 . 1 1 27 27 SER H H 1 8.404 0.05 . 1 . . . . 27 Ser H . 16101 1 225 . 1 1 27 27 SER HA H 1 5.504 0.05 . 1 . . . . 27 Ser HA . 16101 1 226 . 1 1 27 27 SER HB2 H 1 3.641 0.05 . 2 . . . . 27 Ser HB2 . 16101 1 227 . 1 1 27 27 SER HB3 H 1 3.642 0.05 . 2 . . . . 27 Ser HB3 . 16101 1 228 . 1 1 27 27 SER C C 13 174.498 0.5 . 1 . . . . 27 Ser C . 16101 1 229 . 1 1 27 27 SER CA C 13 57.00 0.5 . 1 . . . . 27 Ser CA . 16101 1 230 . 1 1 27 27 SER CB C 13 63.85 0.5 . 1 . . . . 27 Ser CB . 16101 1 231 . 1 1 27 27 SER N N 15 118.151 0.5 . 1 . . . . 27 Ser N . 16101 1 232 . 1 1 28 28 VAL H H 1 8.743 0.05 . 1 . . . . 28 Val H . 16101 1 233 . 1 1 28 28 VAL HA H 1 4.792 0.05 . 1 . . . . 28 Val HA . 16101 1 234 . 1 1 28 28 VAL HB H 1 2.192 0.05 . 1 . . . . 28 Val HB . 16101 1 235 . 1 1 28 28 VAL HG11 H 1 0.792 0.05 . 2 . . . . 28 Val HG1 . 16101 1 236 . 1 1 28 28 VAL HG12 H 1 0.792 0.05 . 2 . . . . 28 Val HG1 . 16101 1 237 . 1 1 28 28 VAL HG13 H 1 0.792 0.05 . 2 . . . . 28 Val HG1 . 16101 1 238 . 1 1 28 28 VAL HG21 H 1 0.602 0.05 . 2 . . . . 28 Val HG2 . 16101 1 239 . 1 1 28 28 VAL HG22 H 1 0.602 0.05 . 2 . . . . 28 Val HG2 . 16101 1 240 . 1 1 28 28 VAL HG23 H 1 0.602 0.05 . 2 . . . . 28 Val HG2 . 16101 1 241 . 1 1 28 28 VAL C C 13 174.25 0.5 . 1 . . . . 28 Val C . 16101 1 242 . 1 1 28 28 VAL CA C 13 58.792 0.5 . 1 . . . . 28 Val CA . 16101 1 243 . 1 1 28 28 VAL CB C 13 36.600 0.5 . 1 . . . . 28 Val CB . 16101 1 244 . 1 1 28 28 VAL CG1 C 13 22.605 0.5 . 2 . . . . 28 Val CG1 . 16101 1 245 . 1 1 28 28 VAL CG2 C 13 19.36 0.5 . 2 . . . . 28 Val CG2 . 16101 1 246 . 1 1 28 28 VAL N N 15 118.097 0.5 . 1 . . . . 28 Val N . 16101 1 247 . 1 1 29 29 SER H H 1 8.694 0.05 . 1 . . . . 29 Ser H . 16101 1 248 . 1 1 29 29 SER HA H 1 4.960 0.05 . 1 . . . . 29 Ser HA . 16101 1 249 . 1 1 29 29 SER HB2 H 1 4.127 0.05 . 2 . . . . 29 Ser HB2 . 16101 1 250 . 1 1 29 29 SER HB3 H 1 3.809 0.05 . 2 . . . . 29 Ser HB3 . 16101 1 251 . 1 1 29 29 SER C C 13 175.159 0.5 . 1 . . . . 29 Ser C . 16101 1 252 . 1 1 29 29 SER CA C 13 55.925 0.5 . 1 . . . . 29 Ser CA . 16101 1 253 . 1 1 29 29 SER CB C 13 64.08 0.5 . 1 . . . . 29 Ser CB . 16101 1 254 . 1 1 29 29 SER N N 15 116.965 0.5 . 1 . . . . 29 Ser N . 16101 1 255 . 1 1 30 30 PRO HA H 1 4.277 0.05 . 1 . . . . 30 Pro HA . 16101 1 256 . 1 1 30 30 PRO HB2 H 1 1.914 0.05 . 2 . . . . 30 Pro HB2 . 16101 1 257 . 1 1 30 30 PRO HB3 H 1 2.259 0.05 . 2 . . . . 30 Pro HB3 . 16101 1 258 . 1 1 30 30 PRO HD2 H 1 3.973 0.05 . 2 . . . . 30 Pro HD2 . 16101 1 259 . 1 1 30 30 PRO HD3 H 1 3.973 0.05 . 2 . . . . 30 Pro HD3 . 16101 1 260 . 1 1 30 30 PRO HG2 H 1 1.993 0.05 . 2 . . . . 30 Pro HG2 . 16101 1 261 . 1 1 30 30 PRO HG3 H 1 1.993 0.05 . 2 . . . . 30 Pro HG3 . 16101 1 262 . 1 1 30 30 PRO C C 13 175.705 0.5 . 1 . . . . 30 Pro C . 16101 1 263 . 1 1 30 30 PRO CA C 13 64.825 0.5 . 1 . . . . 30 Pro CA . 16101 1 264 . 1 1 30 30 PRO CB C 13 32.074 0.5 . 1 . . . . 30 Pro CB . 16101 1 265 . 1 1 30 30 PRO CD C 13 50.80 0.5 . 1 . . . . 30 Pro CD . 16101 1 266 . 1 1 30 30 PRO CG C 13 27.52 0.5 . 1 . . . . 30 Pro CG . 16101 1 267 . 1 1 31 31 ASP H H 1 7.818 0.05 . 1 . . . . 31 Asp H . 16101 1 268 . 1 1 31 31 ASP HA H 1 4.725 0.05 . 1 . . . . 31 Asp HA . 16101 1 269 . 1 1 31 31 ASP HB2 H 1 2.861 0.05 . 2 . . . . 31 Asp HB2 . 16101 1 270 . 1 1 31 31 ASP HB3 H 1 2.433 0.05 . 2 . . . . 31 Asp HB3 . 16101 1 271 . 1 1 31 31 ASP C C 13 175.04 0.5 . 1 . . . . 31 Asp C . 16101 1 272 . 1 1 31 31 ASP CA C 13 54.160 0.5 . 1 . . . . 31 Asp CA . 16101 1 273 . 1 1 31 31 ASP CB C 13 41.590 0.5 . 1 . . . . 31 Asp CB . 16101 1 274 . 1 1 31 31 ASP N N 15 114.503 0.5 . 1 . . . . 31 Asp N . 16101 1 275 . 1 1 32 32 CYS H H 1 7.657 0.05 . 1 . . . . 32 Cys H . 16101 1 276 . 1 1 32 32 CYS HA H 1 4.483 0.05 . 1 . . . . 32 Cys HA . 16101 1 277 . 1 1 32 32 CYS HB2 H 1 2.955 0.05 . 2 . . . . 32 Cys HB2 . 16101 1 278 . 1 1 32 32 CYS HB3 H 1 3.114 0.05 . 2 . . . . 32 Cys HB3 . 16101 1 279 . 1 1 32 32 CYS C C 13 174.805 0.5 . 1 . . . . 32 Cys C . 16101 1 280 . 1 1 32 32 CYS CA C 13 59.51 0.5 . 1 . . . . 32 Cys CA . 16101 1 281 . 1 1 32 32 CYS CB C 13 28.010 0.5 . 1 . . . . 32 Cys CB . 16101 1 282 . 1 1 32 32 CYS N N 15 119.852 0.5 . 1 . . . . 32 Cys N . 16101 1 283 . 1 1 33 33 THR H H 1 8.992 0.05 . 1 . . . . 33 Thr H . 16101 1 284 . 1 1 33 33 THR HA H 1 4.861 0.05 . 1 . . . . 33 Thr HA . 16101 1 285 . 1 1 33 33 THR HB H 1 4.554 0.05 . 1 . . . . 33 Thr HB . 16101 1 286 . 1 1 33 33 THR HG21 H 1 1.279 0.05 . 1 . . . . 33 Thr HG2 . 16101 1 287 . 1 1 33 33 THR HG22 H 1 1.279 0.05 . 1 . . . . 33 Thr HG2 . 16101 1 288 . 1 1 33 33 THR HG23 H 1 1.279 0.05 . 1 . . . . 33 Thr HG2 . 16101 1 289 . 1 1 33 33 THR C C 13 176.35 0.5 . 1 . . . . 33 Thr C . 16101 1 290 . 1 1 33 33 THR CA C 13 61.165 0.5 . 1 . . . . 33 Thr CA . 16101 1 291 . 1 1 33 33 THR CB C 13 71.968 0.5 . 1 . . . . 33 Thr CB . 16101 1 292 . 1 1 33 33 THR CG2 C 13 22.709 0.5 . 1 . . . . 33 Thr CG2 . 16101 1 293 . 1 1 33 33 THR N N 15 115.278 0.5 . 1 . . . . 33 Thr N . 16101 1 294 . 1 1 34 34 VAL H H 1 8.558 0.05 . 1 . . . . 34 Val H . 16101 1 295 . 1 1 34 34 VAL HA H 1 3.384 0.05 . 1 . . . . 34 Val HA . 16101 1 296 . 1 1 34 34 VAL HB H 1 2.401 0.05 . 1 . . . . 34 Val HB . 16101 1 297 . 1 1 34 34 VAL HG11 H 1 0.812 0.05 . 2 . . . . 34 Val HG1 . 16101 1 298 . 1 1 34 34 VAL HG12 H 1 0.812 0.05 . 2 . . . . 34 Val HG1 . 16101 1 299 . 1 1 34 34 VAL HG13 H 1 0.812 0.05 . 2 . . . . 34 Val HG1 . 16101 1 300 . 1 1 34 34 VAL HG21 H 1 0.716 0.05 . 2 . . . . 34 Val HG2 . 16101 1 301 . 1 1 34 34 VAL HG22 H 1 0.716 0.05 . 2 . . . . 34 Val HG2 . 16101 1 302 . 1 1 34 34 VAL HG23 H 1 0.716 0.05 . 2 . . . . 34 Val HG2 . 16101 1 303 . 1 1 34 34 VAL C C 13 177.88 0.5 . 1 . . . . 34 Val C . 16101 1 304 . 1 1 34 34 VAL CA C 13 67.05 0.5 . 1 . . . . 34 Val CA . 16101 1 305 . 1 1 34 34 VAL CB C 13 31.303 0.5 . 1 . . . . 34 Val CB . 16101 1 306 . 1 1 34 34 VAL CG1 C 13 24.38 0.5 . 2 . . . . 34 Val CG1 . 16101 1 307 . 1 1 34 34 VAL CG2 C 13 21.15 0.5 . 2 . . . . 34 Val CG2 . 16101 1 308 . 1 1 34 34 VAL N N 15 123.274 0.5 . 1 . . . . 34 Val N . 16101 1 309 . 1 1 35 35 LYS H H 1 8.316 0.05 . 1 . . . . 35 Lys H . 16101 1 310 . 1 1 35 35 LYS HA H 1 3.758 0.05 . 1 . . . . 35 Lys HA . 16101 1 311 . 1 1 35 35 LYS HB2 H 1 1.785 0.05 . 2 . . . . 35 Lys HB2 . 16101 1 312 . 1 1 35 35 LYS HB3 H 1 1.785 0.05 . 2 . . . . 35 Lys HB3 . 16101 1 313 . 1 1 35 35 LYS HD2 H 1 1.627 0.05 . 2 . . . . 35 Lys HD2 . 16101 1 314 . 1 1 35 35 LYS HD3 H 1 1.627 0.05 . 2 . . . . 35 Lys HD3 . 16101 1 315 . 1 1 35 35 LYS HE2 H 1 2.942 0.05 . 2 . . . . 35 Lys HE2 . 16101 1 316 . 1 1 35 35 LYS HE3 H 1 2.942 0.05 . 2 . . . . 35 Lys HE3 . 16101 1 317 . 1 1 35 35 LYS HG2 H 1 1.414 0.05 . 2 . . . . 35 Lys HG2 . 16101 1 318 . 1 1 35 35 LYS HG3 H 1 1.414 0.05 . 2 . . . . 35 Lys HG3 . 16101 1 319 . 1 1 35 35 LYS C C 13 178.18 0.5 . 1 . . . . 35 Lys C . 16101 1 320 . 1 1 35 35 LYS CA C 13 60.812 0.5 . 1 . . . . 35 Lys CA . 16101 1 321 . 1 1 35 35 LYS CB C 13 32.61 0.5 . 1 . . . . 35 Lys CB . 16101 1 322 . 1 1 35 35 LYS CD C 13 29.96 0.5 . 1 . . . . 35 Lys CD . 16101 1 323 . 1 1 35 35 LYS CE C 13 42.47 0.5 . 1 . . . . 35 Lys CE . 16101 1 324 . 1 1 35 35 LYS CG C 13 24.74 0.5 . 1 . . . . 35 Lys CG . 16101 1 325 . 1 1 35 35 LYS N N 15 119.813 0.5 . 1 . . . . 35 Lys N . 16101 1 326 . 1 1 36 36 ASP H H 1 7.959 0.05 . 1 . . . . 36 Asp H . 16101 1 327 . 1 1 36 36 ASP HA H 1 4.414 0.05 . 1 . . . . 36 Asp HA . 16101 1 328 . 1 1 36 36 ASP HB2 H 1 3.047 0.05 . 2 . . . . 36 Asp HB2 . 16101 1 329 . 1 1 36 36 ASP HB3 H 1 2.716 0.05 . 2 . . . . 36 Asp HB3 . 16101 1 330 . 1 1 36 36 ASP C C 13 179.395 0.5 . 1 . . . . 36 Asp C . 16101 1 331 . 1 1 36 36 ASP CA C 13 57.360 0.5 . 1 . . . . 36 Asp CA . 16101 1 332 . 1 1 36 36 ASP CB C 13 40.350 0.5 . 1 . . . . 36 Asp CB . 16101 1 333 . 1 1 36 36 ASP N N 15 120.728 0.5 . 1 . . . . 36 Asp N . 16101 1 334 . 1 1 37 37 LEU H H 1 8.147 0.05 . 1 . . . . 37 Leu H . 16101 1 335 . 1 1 37 37 LEU HA H 1 3.976 0.05 . 1 . . . . 37 Leu HA . 16101 1 336 . 1 1 37 37 LEU HB2 H 1 1.459 0.05 . 2 . . . . 37 Leu HB2 . 16101 1 337 . 1 1 37 37 LEU HB3 H 1 1.951 0.05 . 2 . . . . 37 Leu HB3 . 16101 1 338 . 1 1 37 37 LEU HD11 H 1 0.655 0.05 . 2 . . . . 37 Leu HD1 . 16101 1 339 . 1 1 37 37 LEU HD12 H 1 0.655 0.05 . 2 . . . . 37 Leu HD1 . 16101 1 340 . 1 1 37 37 LEU HD13 H 1 0.655 0.05 . 2 . . . . 37 Leu HD1 . 16101 1 341 . 1 1 37 37 LEU HD21 H 1 0.7497 0.05 . 2 . . . . 37 Leu HD2 . 16101 1 342 . 1 1 37 37 LEU HD22 H 1 0.7497 0.05 . 2 . . . . 37 Leu HD2 . 16101 1 343 . 1 1 37 37 LEU HD23 H 1 0.7497 0.05 . 2 . . . . 37 Leu HD2 . 16101 1 344 . 1 1 37 37 LEU HG H 1 1.48 0.05 . 1 . . . . 37 Leu HG . 16101 1 345 . 1 1 37 37 LEU C C 13 178.63 0.5 . 1 . . . . 37 Leu C . 16101 1 346 . 1 1 37 37 LEU CA C 13 58.21 0.5 . 1 . . . . 37 Leu CA . 16101 1 347 . 1 1 37 37 LEU CB C 13 41.470 0.5 . 1 . . . . 37 Leu CB . 16101 1 348 . 1 1 37 37 LEU CD1 C 13 26.78 0.5 . 2 . . . . 37 Leu CD1 . 16101 1 349 . 1 1 37 37 LEU CD2 C 13 24.58 0.5 . 2 . . . . 37 Leu CD2 . 16101 1 350 . 1 1 37 37 LEU CG C 13 27.272 0.5 . 1 . . . . 37 Leu CG . 16101 1 351 . 1 1 37 37 LEU N N 15 123.841 0.5 . 1 . . . . 37 Leu N . 16101 1 352 . 1 1 38 38 LYS H H 1 8.308 0.05 . 1 . . . . 38 Lys H . 16101 1 353 . 1 1 38 38 LYS HA H 1 4.505 0.05 . 1 . . . . 38 Lys HA . 16101 1 354 . 1 1 38 38 LYS HB2 H 1 1.33 0.05 . 2 . . . . 38 Lys HB2 . 16101 1 355 . 1 1 38 38 LYS HB3 H 1 2.097 0.05 . 2 . . . . 38 Lys HB3 . 16101 1 356 . 1 1 38 38 LYS HD2 H 1 1.63 0.05 . 2 . . . . 38 Lys HD2 . 16101 1 357 . 1 1 38 38 LYS HD3 H 1 1.736 0.05 . 2 . . . . 38 Lys HD3 . 16101 1 358 . 1 1 38 38 LYS HE2 H 1 2.692 0.05 . 2 . . . . 38 Lys HE2 . 16101 1 359 . 1 1 38 38 LYS HE3 H 1 2.692 0.05 . 2 . . . . 38 Lys HE3 . 16101 1 360 . 1 1 38 38 LYS HG2 H 1 1.357 0.05 . 2 . . . . 38 Lys HG2 . 16101 1 361 . 1 1 38 38 LYS HG3 H 1 1.66 0.05 . 2 . . . . 38 Lys HG3 . 16101 1 362 . 1 1 38 38 LYS C C 13 180.78 0.5 . 1 . . . . 38 Lys C . 16101 1 363 . 1 1 38 38 LYS CA C 13 59.91 0.5 . 1 . . . . 38 Lys CA . 16101 1 364 . 1 1 38 38 LYS CB C 13 34.27 0.5 . 1 . . . . 38 Lys CB . 16101 1 365 . 1 1 38 38 LYS CD C 13 31.00 0.5 . 1 . . . . 38 Lys CD . 16101 1 366 . 1 1 38 38 LYS CE C 13 43.03 0.5 . 1 . . . . 38 Lys CE . 16101 1 367 . 1 1 38 38 LYS CG C 13 25.85 0.5 . 1 . . . . 38 Lys CG . 16101 1 368 . 1 1 38 38 LYS N N 15 117.736 0.5 . 1 . . . . 38 Lys N . 16101 1 369 . 1 1 39 39 SER H H 1 7.952 0.05 . 1 . . . . 39 Ser H . 16101 1 370 . 1 1 39 39 SER HA H 1 4.23 0.05 . 1 . . . . 39 Ser HA . 16101 1 371 . 1 1 39 39 SER HB2 H 1 4.10 0.05 . 2 . . . . 39 Ser HB2 . 16101 1 372 . 1 1 39 39 SER HB3 H 1 4.036 0.05 . 2 . . . . 39 Ser HB3 . 16101 1 373 . 1 1 39 39 SER C C 13 177.24 0.5 . 1 . . . . 39 Ser C . 16101 1 374 . 1 1 39 39 SER CA C 13 62.44 0.5 . 1 . . . . 39 Ser CA . 16101 1 375 . 1 1 39 39 SER CB C 13 62.67 0.5 . 1 . . . . 39 Ser CB . 16101 1 376 . 1 1 39 39 SER N N 15 115.1 0.5 . 1 . . . . 39 Ser N . 16101 1 377 . 1 1 40 40 GLN H H 1 7.899 0.05 . 1 . . . . 40 Gln H . 16101 1 378 . 1 1 40 40 GLN HA H 1 4.125 0.05 . 1 . . . . 40 Gln HA . 16101 1 379 . 1 1 40 40 GLN HB2 H 1 2.198 0.05 . 2 . . . . 40 Gln HB2 . 16101 1 380 . 1 1 40 40 GLN HB3 H 1 2.198 0.05 . 2 . . . . 40 Gln HB3 . 16101 1 381 . 1 1 40 40 GLN HE21 H 1 6.45 0.05 . 2 . . . . 40 Gln HE21 . 16101 1 382 . 1 1 40 40 GLN HE22 H 1 7.204 0.05 . 2 . . . . 40 Gln HE22 . 16101 1 383 . 1 1 40 40 GLN HG2 H 1 2.542 0.05 . 2 . . . . 40 Gln HG2 . 16101 1 384 . 1 1 40 40 GLN HG3 H 1 2.310 0.05 . 2 . . . . 40 Gln HG3 . 16101 1 385 . 1 1 40 40 GLN C C 13 178.33 0.5 . 1 . . . . 40 Gln C . 16101 1 386 . 1 1 40 40 GLN CA C 13 59.045 0.5 . 1 . . . . 40 Gln CA . 16101 1 387 . 1 1 40 40 GLN CB C 13 28.893 0.5 . 1 . . . . 40 Gln CB . 16101 1 388 . 1 1 40 40 GLN CG C 13 34.44 0.5 . 1 . . . . 40 Gln CG . 16101 1 389 . 1 1 40 40 GLN N N 15 121.6 0.5 . 1 . . . . 40 Gln N . 16101 1 390 . 1 1 40 40 GLN NE2 N 15 109.1 0.5 . 1 . . . . 40 Gln NE2 . 16101 1 391 . 1 1 41 41 LEU H H 1 8.010 0.05 . 1 . . . . 41 Leu H . 16101 1 392 . 1 1 41 41 LEU HA H 1 4.13 0.05 . 1 . . . . 41 Leu HA . 16101 1 393 . 1 1 41 41 LEU HB2 H 1 2.243 0.05 . 2 . . . . 41 Leu HB2 . 16101 1 394 . 1 1 41 41 LEU HB3 H 1 1.047 0.05 . 2 . . . . 41 Leu HB3 . 16101 1 395 . 1 1 41 41 LEU HD11 H 1 0.733 0.05 . 2 . . . . 41 Leu HD1 . 16101 1 396 . 1 1 41 41 LEU HD12 H 1 0.733 0.05 . 2 . . . . 41 Leu HD1 . 16101 1 397 . 1 1 41 41 LEU HD13 H 1 0.733 0.05 . 2 . . . . 41 Leu HD1 . 16101 1 398 . 1 1 41 41 LEU HD21 H 1 0.7886 0.05 . 2 . . . . 41 Leu HD2 . 16101 1 399 . 1 1 41 41 LEU HD22 H 1 0.7886 0.05 . 2 . . . . 41 Leu HD2 . 16101 1 400 . 1 1 41 41 LEU HD23 H 1 0.7886 0.05 . 2 . . . . 41 Leu HD2 . 16101 1 401 . 1 1 41 41 LEU HG H 1 1.68 0.05 . 1 . . . . 41 Leu HG . 16101 1 402 . 1 1 41 41 LEU C C 13 179.98 0.5 . 1 . . . . 41 Leu C . 16101 1 403 . 1 1 41 41 LEU CA C 13 56.472 0.5 . 1 . . . . 41 Leu CA . 16101 1 404 . 1 1 41 41 LEU CB C 13 42.66 0.5 . 1 . . . . 41 Leu CB . 16101 1 405 . 1 1 41 41 LEU CD1 C 13 23.637 0.5 . 2 . . . . 41 Leu CD1 . 16101 1 406 . 1 1 41 41 LEU CD2 C 13 27.16 0.5 . 2 . . . . 41 Leu CD2 . 16101 1 407 . 1 1 41 41 LEU CG C 13 27.43 0.5 . 1 . . . . 41 Leu CG . 16101 1 408 . 1 1 41 41 LEU N N 15 116.657 0.5 . 1 . . . . 41 Leu N . 16101 1 409 . 1 1 42 42 GLN H H 1 7.903 0.05 . 1 . . . . 42 Gln H . 16101 1 410 . 1 1 42 42 GLN HA H 1 4.18 0.05 . 1 . . . . 42 Gln HA . 16101 1 411 . 1 1 42 42 GLN HB2 H 1 2.423 0.05 . 2 . . . . 42 Gln HB2 . 16101 1 412 . 1 1 42 42 GLN HB3 H 1 1.896 0.05 . 2 . . . . 42 Gln HB3 . 16101 1 413 . 1 1 42 42 GLN HE21 H 1 7.499 0.05 . 2 . . . . 42 Gln HE21 . 16101 1 414 . 1 1 42 42 GLN HE22 H 1 6.873 0.05 . 2 . . . . 42 Gln HE22 . 16101 1 415 . 1 1 42 42 GLN HG2 H 1 2.205 0.05 . 2 . . . . 42 Gln HG2 . 16101 1 416 . 1 1 42 42 GLN HG3 H 1 2.378 0.05 . 2 . . . . 42 Gln HG3 . 16101 1 417 . 1 1 42 42 GLN C C 13 174.35 0.5 . 1 . . . . 42 Gln C . 16101 1 418 . 1 1 42 42 GLN CA C 13 61.3 0.5 . 1 . . . . 42 Gln CA . 16101 1 419 . 1 1 42 42 GLN CB C 13 25.25 0.5 . 1 . . . . 42 Gln CB . 16101 1 420 . 1 1 42 42 GLN CG C 13 33.14 0.5 . 1 . . . . 42 Gln CG . 16101 1 421 . 1 1 42 42 GLN N N 15 125.104 0.5 . 1 . . . . 42 Gln N . 16101 1 422 . 1 1 42 42 GLN NE2 N 15 110.3 0.5 . 1 . . . . 42 Gln NE2 . 16101 1 423 . 1 1 43 43 PRO HA H 1 4.410 0.05 . 1 . . . . 43 Pro HA . 16101 1 424 . 1 1 43 43 PRO HB2 H 1 1.879 0.05 . 2 . . . . 43 Pro HB2 . 16101 1 425 . 1 1 43 43 PRO HB3 H 1 2.296 0.05 . 2 . . . . 43 Pro HB3 . 16101 1 426 . 1 1 43 43 PRO HD2 H 1 3.652 0.05 . 2 . . . . 43 Pro HD2 . 16101 1 427 . 1 1 43 43 PRO HD3 H 1 3.913 0.05 . 2 . . . . 43 Pro HD3 . 16101 1 428 . 1 1 43 43 PRO HG2 H 1 2.2052 0.05 . 2 . . . . 43 Pro HG2 . 16101 1 429 . 1 1 43 43 PRO HG3 H 1 1.994 0.05 . 2 . . . . 43 Pro HG3 . 16101 1 430 . 1 1 43 43 PRO C C 13 177.27 0.5 . 1 . . . . 43 Pro C . 16101 1 431 . 1 1 43 43 PRO CA C 13 65.13 0.5 . 1 . . . . 43 Pro CA . 16101 1 432 . 1 1 43 43 PRO CB C 13 31.208 0.5 . 1 . . . . 43 Pro CB . 16101 1 433 . 1 1 43 43 PRO CD C 13 50.18 0.5 . 1 . . . . 43 Pro CD . 16101 1 434 . 1 1 43 43 PRO CG C 13 28.180 0.5 . 1 . . . . 43 Pro CG . 16101 1 435 . 1 1 44 44 ILE H H 1 6.568 0.05 . 1 . . . . 44 Ile H . 16101 1 436 . 1 1 44 44 ILE HA H 1 3.959 0.05 . 1 . . . . 44 Ile HA . 16101 1 437 . 1 1 44 44 ILE HB H 1 1.734 0.05 . 1 . . . . 44 Ile HB . 16101 1 438 . 1 1 44 44 ILE HD11 H 1 0.9201 0.05 . 1 . . . . 44 Ile HD1 . 16101 1 439 . 1 1 44 44 ILE HD12 H 1 0.9201 0.05 . 1 . . . . 44 Ile HD1 . 16101 1 440 . 1 1 44 44 ILE HD13 H 1 0.9201 0.05 . 1 . . . . 44 Ile HD1 . 16101 1 441 . 1 1 44 44 ILE HG12 H 1 1.153 0.05 . 2 . . . . 44 Ile HG12 . 16101 1 442 . 1 1 44 44 ILE HG13 H 1 1.699 0.05 . 2 . . . . 44 Ile HG13 . 16101 1 443 . 1 1 44 44 ILE HG21 H 1 0.96 0.05 . 1 . . . . 44 Ile HG2 . 16101 1 444 . 1 1 44 44 ILE HG22 H 1 0.96 0.05 . 1 . . . . 44 Ile HG2 . 16101 1 445 . 1 1 44 44 ILE HG23 H 1 0.96 0.05 . 1 . . . . 44 Ile HG2 . 16101 1 446 . 1 1 44 44 ILE C C 13 177.06 0.5 . 1 . . . . 44 Ile C . 16101 1 447 . 1 1 44 44 ILE CA C 13 63.67 0.5 . 1 . . . . 44 Ile CA . 16101 1 448 . 1 1 44 44 ILE CB C 13 40.27 0.5 . 1 . . . . 44 Ile CB . 16101 1 449 . 1 1 44 44 ILE CD1 C 13 14.03 0.5 . 1 . . . . 44 Ile CD1 . 16101 1 450 . 1 1 44 44 ILE CG1 C 13 28.36 0.5 . 1 . . . . 44 Ile CG1 . 16101 1 451 . 1 1 44 44 ILE CG2 C 13 17.59 0.5 . 1 . . . . 44 Ile CG2 . 16101 1 452 . 1 1 44 44 ILE N N 15 114.765 0.5 . 1 . . . . 44 Ile N . 16101 1 453 . 1 1 45 45 THR H H 1 7.826 0.05 . 1 . . . . 45 Thr H . 16101 1 454 . 1 1 45 45 THR HA H 1 4.202 0.05 . 1 . . . . 45 Thr HA . 16101 1 455 . 1 1 45 45 THR HB H 1 3.617 0.05 . 1 . . . . 45 Thr HB . 16101 1 456 . 1 1 45 45 THR HG21 H 1 0.99 0.05 . 1 . . . . 45 Thr HG2 . 16101 1 457 . 1 1 45 45 THR HG22 H 1 0.99 0.05 . 1 . . . . 45 Thr HG2 . 16101 1 458 . 1 1 45 45 THR HG23 H 1 0.99 0.05 . 1 . . . . 45 Thr HG2 . 16101 1 459 . 1 1 45 45 THR C C 13 174.99 0.5 . 1 . . . . 45 Thr C . 16101 1 460 . 1 1 45 45 THR CA C 13 62.696 0.5 . 1 . . . . 45 Thr CA . 16101 1 461 . 1 1 45 45 THR CB C 13 71.682 0.5 . 1 . . . . 45 Thr CB . 16101 1 462 . 1 1 45 45 THR CG2 C 13 22.193 0.5 . 1 . . . . 45 Thr CG2 . 16101 1 463 . 1 1 45 45 THR N N 15 107.323 0.5 . 1 . . . . 45 Thr N . 16101 1 464 . 1 1 46 46 ASN H H 1 8.660 0.05 . 1 . . . . 46 Asn H . 16101 1 465 . 1 1 46 46 ASN HA H 1 4.381 0.05 . 1 . . . . 46 Asn HA . 16101 1 466 . 1 1 46 46 ASN HB2 H 1 2.906 0.05 . 2 . . . . 46 Asn HB2 . 16101 1 467 . 1 1 46 46 ASN HB3 H 1 3.164 0.05 . 2 . . . . 46 Asn HB3 . 16101 1 468 . 1 1 46 46 ASN HD21 H 1 7.567 0.05 . 2 . . . . 46 Asn HD21 . 16101 1 469 . 1 1 46 46 ASN HD22 H 1 6.843 0.05 . 2 . . . . 46 Asn HD22 . 16101 1 470 . 1 1 46 46 ASN C C 13 173.90 0.5 . 1 . . . . 46 Asn C . 16101 1 471 . 1 1 46 46 ASN CA C 13 54.89 0.5 . 1 . . . . 46 Asn CA . 16101 1 472 . 1 1 46 46 ASN CB C 13 38.207 0.5 . 1 . . . . 46 Asn CB . 16101 1 473 . 1 1 46 46 ASN N N 15 117.586 0.5 . 1 . . . . 46 Asn N . 16101 1 474 . 1 1 46 46 ASN ND2 N 15 112.6 0.5 . 1 . . . . 46 Asn ND2 . 16101 1 475 . 1 1 47 47 VAL H H 1 7.517 0.05 . 1 . . . . 47 Val H . 16101 1 476 . 1 1 47 47 VAL HA H 1 4.134 0.05 . 1 . . . . 47 Val HA . 16101 1 477 . 1 1 47 47 VAL HB H 1 1.609 0.05 . 1 . . . . 47 Val HB . 16101 1 478 . 1 1 47 47 VAL HG11 H 1 0.711 0.05 . 2 . . . . 47 Val HG1 . 16101 1 479 . 1 1 47 47 VAL HG12 H 1 0.711 0.05 . 2 . . . . 47 Val HG1 . 16101 1 480 . 1 1 47 47 VAL HG13 H 1 0.711 0.05 . 2 . . . . 47 Val HG1 . 16101 1 481 . 1 1 47 47 VAL HG21 H 1 0.922 0.05 . 2 . . . . 47 Val HG2 . 16101 1 482 . 1 1 47 47 VAL HG22 H 1 0.922 0.05 . 2 . . . . 47 Val HG2 . 16101 1 483 . 1 1 47 47 VAL HG23 H 1 0.922 0.05 . 2 . . . . 47 Val HG2 . 16101 1 484 . 1 1 47 47 VAL C C 13 176.14 0.5 . 1 . . . . 47 Val C . 16101 1 485 . 1 1 47 47 VAL CA C 13 61.763 0.5 . 1 . . . . 47 Val CA . 16101 1 486 . 1 1 47 47 VAL CB C 13 32.925 0.5 . 1 . . . . 47 Val CB . 16101 1 487 . 1 1 47 47 VAL CG1 C 13 21.73 0.5 . 2 . . . . 47 Val CG1 . 16101 1 488 . 1 1 47 47 VAL CG2 C 13 21.90 0.5 . 2 . . . . 47 Val CG2 . 16101 1 489 . 1 1 47 47 VAL N N 15 119.901 0.5 . 1 . . . . 47 Val N . 16101 1 490 . 1 1 48 48 LEU H H 1 8.650 0.05 . 1 . . . . 48 Leu H . 16101 1 491 . 1 1 48 48 LEU HA H 1 4.194 0.05 . 1 . . . . 48 Leu HA . 16101 1 492 . 1 1 48 48 LEU HB2 H 1 1.612 0.05 . 2 . . . . 48 Leu HB2 . 16101 1 493 . 1 1 48 48 LEU HB3 H 1 1.612 0.05 . 2 . . . . 48 Leu HB3 . 16101 1 494 . 1 1 48 48 LEU HD11 H 1 0.901 0.05 . 2 . . . . 48 Leu HD1 . 16101 1 495 . 1 1 48 48 LEU HD12 H 1 0.901 0.05 . 2 . . . . 48 Leu HD1 . 16101 1 496 . 1 1 48 48 LEU HD13 H 1 0.901 0.05 . 2 . . . . 48 Leu HD1 . 16101 1 497 . 1 1 48 48 LEU HD21 H 1 0.9375 0.05 . 2 . . . . 48 Leu HD2 . 16101 1 498 . 1 1 48 48 LEU HD22 H 1 0.9375 0.05 . 2 . . . . 48 Leu HD2 . 16101 1 499 . 1 1 48 48 LEU HD23 H 1 0.9375 0.05 . 2 . . . . 48 Leu HD2 . 16101 1 500 . 1 1 48 48 LEU HG H 1 1.798 0.05 . 1 . . . . 48 Leu HG . 16101 1 501 . 1 1 48 48 LEU C C 13 177.11 0.5 . 1 . . . . 48 Leu C . 16101 1 502 . 1 1 48 48 LEU CA C 13 54.491 0.5 . 1 . . . . 48 Leu CA . 16101 1 503 . 1 1 48 48 LEU CB C 13 41.171 0.5 . 1 . . . . 48 Leu CB . 16101 1 504 . 1 1 48 48 LEU CD1 C 13 23.1 0.5 . 2 . . . . 48 Leu CD1 . 16101 1 505 . 1 1 48 48 LEU CD2 C 13 25.38 0.5 . 2 . . . . 48 Leu CD2 . 16101 1 506 . 1 1 48 48 LEU CG C 13 27.38 0.5 . 1 . . . . 48 Leu CG . 16101 1 507 . 1 1 48 48 LEU N N 15 128.467 0.5 . 1 . . . . 48 Leu N . 16101 1 508 . 1 1 49 49 PRO HA H 1 3.923 0.05 . 1 . . . . 49 Pro HA . 16101 1 509 . 1 1 49 49 PRO HB2 H 1 2.035 0.05 . 2 . . . . 49 Pro HB2 . 16101 1 510 . 1 1 49 49 PRO HB3 H 1 2.210 0.05 . 2 . . . . 49 Pro HB3 . 16101 1 511 . 1 1 49 49 PRO HD2 H 1 3.776 0.05 . 2 . . . . 49 Pro HD2 . 16101 1 512 . 1 1 49 49 PRO HD3 H 1 3.693 0.05 . 2 . . . . 49 Pro HD3 . 16101 1 513 . 1 1 49 49 PRO HG2 H 1 2.217 0.05 . 2 . . . . 49 Pro HG2 . 16101 1 514 . 1 1 49 49 PRO HG3 H 1 1.594 0.05 . 2 . . . . 49 Pro HG3 . 16101 1 515 . 1 1 49 49 PRO C C 13 178.43 0.5 . 1 . . . . 49 Pro C . 16101 1 516 . 1 1 49 49 PRO CA C 13 67.00 0.5 . 1 . . . . 49 Pro CA . 16101 1 517 . 1 1 49 49 PRO CB C 13 32.456 0.5 . 1 . . . . 49 Pro CB . 16101 1 518 . 1 1 49 49 PRO CD C 13 50.15 0.5 . 1 . . . . 49 Pro CD . 16101 1 519 . 1 1 49 49 PRO CG C 13 27.83 0.5 . 1 . . . . 49 Pro CG . 16101 1 520 . 1 1 50 50 ARG H H 1 8.331 0.05 . 1 . . . . 50 Arg H . 16101 1 521 . 1 1 50 50 ARG HA H 1 4.239 0.05 . 1 . . . . 50 Arg HA . 16101 1 522 . 1 1 50 50 ARG HB2 H 1 1.891 0.05 . 2 . . . . 50 Arg HB2 . 16101 1 523 . 1 1 50 50 ARG HB3 H 1 1.777 0.05 . 2 . . . . 50 Arg HB3 . 16101 1 524 . 1 1 50 50 ARG HD2 H 1 3.186 0.05 . 2 . . . . 50 Arg HD2 . 16101 1 525 . 1 1 50 50 ARG HD3 H 1 3.186 0.05 . 2 . . . . 50 Arg HD3 . 16101 1 526 . 1 1 50 50 ARG HG2 H 1 1.55 0.05 . 2 . . . . 50 Arg HG2 . 16101 1 527 . 1 1 50 50 ARG HG3 H 1 1.62 0.05 . 2 . . . . 50 Arg HG3 . 16101 1 528 . 1 1 50 50 ARG C C 13 176.94 0.5 . 1 . . . . 50 Arg C . 16101 1 529 . 1 1 50 50 ARG CA C 13 58.13 0.5 . 1 . . . . 50 Arg CA . 16101 1 530 . 1 1 50 50 ARG CB C 13 29.20 0.5 . 1 . . . . 50 Arg CB . 16101 1 531 . 1 1 50 50 ARG CD C 13 43.476 0.5 . 1 . . . . 50 Arg CD . 16101 1 532 . 1 1 50 50 ARG CG C 13 26.59 0.5 . 1 . . . . 50 Arg CG . 16101 1 533 . 1 1 50 50 ARG N N 15 114.5 0.5 . 1 . . . . 50 Arg N . 16101 1 534 . 1 1 51 51 GLY H H 1 8.199 0.05 . 1 . . . . 51 Gly H . 16101 1 535 . 1 1 51 51 GLY HA2 H 1 3.605 0.05 . 2 . . . . 51 Gly HA2 . 16101 1 536 . 1 1 51 51 GLY HA3 H 1 4.335 0.05 . 2 . . . . 51 Gly HA3 . 16101 1 537 . 1 1 51 51 GLY C C 13 173.34 0.5 . 1 . . . . 51 Gly C . 16101 1 538 . 1 1 51 51 GLY CA C 13 44.75 0.5 . 1 . . . . 51 Gly CA . 16101 1 539 . 1 1 51 51 GLY N N 15 107.942 0.5 . 1 . . . . 51 Gly N . 16101 1 540 . 1 1 52 52 GLN H H 1 7.475 0.05 . 1 . . . . 52 Gln H . 16101 1 541 . 1 1 52 52 GLN HA H 1 4.315 0.05 . 1 . . . . 52 Gln HA . 16101 1 542 . 1 1 52 52 GLN HB2 H 1 1.820 0.05 . 2 . . . . 52 Gln HB2 . 16101 1 543 . 1 1 52 52 GLN HB3 H 1 1.870 0.05 . 2 . . . . 52 Gln HB3 . 16101 1 544 . 1 1 52 52 GLN HE21 H 1 6.197 0.05 . 2 . . . . 52 Gln HE21 . 16101 1 545 . 1 1 52 52 GLN HE22 H 1 6.615 0.05 . 2 . . . . 52 Gln HE22 . 16101 1 546 . 1 1 52 52 GLN HG2 H 1 1.568 0.05 . 2 . . . . 52 Gln HG2 . 16101 1 547 . 1 1 52 52 GLN HG3 H 1 2.363 0.05 . 2 . . . . 52 Gln HG3 . 16101 1 548 . 1 1 52 52 GLN C C 13 175.77 0.5 . 1 . . . . 52 Gln C . 16101 1 549 . 1 1 52 52 GLN CA C 13 56.023 0.5 . 1 . . . . 52 Gln CA . 16101 1 550 . 1 1 52 52 GLN CB C 13 31.494 0.5 . 1 . . . . 52 Gln CB . 16101 1 551 . 1 1 52 52 GLN CG C 13 33.32 0.5 . 1 . . . . 52 Gln CG . 16101 1 552 . 1 1 52 52 GLN N N 15 119.769 0.5 . 1 . . . . 52 Gln N . 16101 1 553 . 1 1 52 52 GLN NE2 N 15 101.3 0.5 . 1 . . . . 52 Gln NE2 . 16101 1 554 . 1 1 53 53 LYS H H 1 8.586 0.05 . 1 . . . . 53 Lys H . 16101 1 555 . 1 1 53 53 LYS HA H 1 4.50 0.05 . 1 . . . . 53 Lys HA . 16101 1 556 . 1 1 53 53 LYS HB2 H 1 1.717 0.05 . 2 . . . . 53 Lys HB2 . 16101 1 557 . 1 1 53 53 LYS HB3 H 1 1.717 0.05 . 2 . . . . 53 Lys HB3 . 16101 1 558 . 1 1 53 53 LYS HD2 H 1 1.745 0.05 . 2 . . . . 53 Lys HD2 . 16101 1 559 . 1 1 53 53 LYS HD3 H 1 1.745 0.05 . 2 . . . . 53 Lys HD3 . 16101 1 560 . 1 1 53 53 LYS HE2 H 1 3.06 0.05 . 2 . . . . 53 Lys HE2 . 16101 1 561 . 1 1 53 53 LYS HE3 H 1 3.06 0.05 . 2 . . . . 53 Lys HE3 . 16101 1 562 . 1 1 53 53 LYS HG2 H 1 1.258 0.05 . 2 . . . . 53 Lys HG2 . 16101 1 563 . 1 1 53 53 LYS HG3 H 1 1.258 0.05 . 2 . . . . 53 Lys HG3 . 16101 1 564 . 1 1 53 53 LYS C C 13 174.08 0.5 . 1 . . . . 53 Lys C . 16101 1 565 . 1 1 53 53 LYS CA C 13 55.95 0.5 . 1 . . . . 53 Lys CA . 16101 1 566 . 1 1 53 53 LYS CB C 13 34.69 0.5 . 1 . . . . 53 Lys CB . 16101 1 567 . 1 1 53 53 LYS CD C 13 29.97 0.5 . 1 . . . . 53 Lys CD . 16101 1 568 . 1 1 53 53 LYS CE C 13 42.472 0.5 . 1 . . . . 53 Lys CE . 16101 1 569 . 1 1 53 53 LYS CG C 13 25.16 0.5 . 1 . . . . 53 Lys CG . 16101 1 570 . 1 1 53 53 LYS N N 15 123.759 0.5 . 1 . . . . 53 Lys N . 16101 1 571 . 1 1 54 54 LEU H H 1 8.90 0.05 . 1 . . . . 54 Leu H . 16101 1 572 . 1 1 54 54 LEU HA H 1 5.271 0.05 . 1 . . . . 54 Leu HA . 16101 1 573 . 1 1 54 54 LEU HB2 H 1 1.178 0.05 . 2 . . . . 54 Leu HB2 . 16101 1 574 . 1 1 54 54 LEU HB3 H 1 1.657 0.05 . 2 . . . . 54 Leu HB3 . 16101 1 575 . 1 1 54 54 LEU HD11 H 1 0.766 0.05 . 2 . . . . 54 Leu HD1 . 16101 1 576 . 1 1 54 54 LEU HD12 H 1 0.766 0.05 . 2 . . . . 54 Leu HD1 . 16101 1 577 . 1 1 54 54 LEU HD13 H 1 0.766 0.05 . 2 . . . . 54 Leu HD1 . 16101 1 578 . 1 1 54 54 LEU HD21 H 1 0.766 0.05 . 2 . . . . 54 Leu HD2 . 16101 1 579 . 1 1 54 54 LEU HD22 H 1 0.766 0.05 . 2 . . . . 54 Leu HD2 . 16101 1 580 . 1 1 54 54 LEU HD23 H 1 0.766 0.05 . 2 . . . . 54 Leu HD2 . 16101 1 581 . 1 1 54 54 LEU HG H 1 1.483 0.05 . 1 . . . . 54 Leu HG . 16101 1 582 . 1 1 54 54 LEU C C 13 174.94 0.5 . 1 . . . . 54 Leu C . 16101 1 583 . 1 1 54 54 LEU CA C 13 53.25 0.5 . 1 . . . . 54 Leu CA . 16101 1 584 . 1 1 54 54 LEU CB C 13 45.042 0.5 . 1 . . . . 54 Leu CB . 16101 1 585 . 1 1 54 54 LEU CD1 C 13 24.91 0.5 . 2 . . . . 54 Leu CD1 . 16101 1 586 . 1 1 54 54 LEU CD2 C 13 27.4 0.5 . 2 . . . . 54 Leu CD2 . 16101 1 587 . 1 1 54 54 LEU CG C 13 27.28 0.5 . 1 . . . . 54 Leu CG . 16101 1 588 . 1 1 54 54 LEU N N 15 126.2 0.5 . 1 . . . . 54 Leu N . 16101 1 589 . 1 1 55 55 ILE H H 1 9.33 0.05 . 1 . . . . 55 Ile H . 16101 1 590 . 1 1 55 55 ILE HA H 1 4.886 0.05 . 1 . . . . 55 Ile HA . 16101 1 591 . 1 1 55 55 ILE HB H 1 1.775 0.05 . 1 . . . . 55 Ile HB . 16101 1 592 . 1 1 55 55 ILE HD11 H 1 0.763 0.05 . 1 . . . . 55 Ile HD1 . 16101 1 593 . 1 1 55 55 ILE HD12 H 1 0.763 0.05 . 1 . . . . 55 Ile HD1 . 16101 1 594 . 1 1 55 55 ILE HD13 H 1 0.763 0.05 . 1 . . . . 55 Ile HD1 . 16101 1 595 . 1 1 55 55 ILE HG12 H 1 1.076 0.05 . 2 . . . . 55 Ile HG12 . 16101 1 596 . 1 1 55 55 ILE HG13 H 1 1.427 0.05 . 2 . . . . 55 Ile HG13 . 16101 1 597 . 1 1 55 55 ILE HG21 H 1 0.758 0.05 . 1 . . . . 55 Ile HG2 . 16101 1 598 . 1 1 55 55 ILE HG22 H 1 0.758 0.05 . 1 . . . . 55 Ile HG2 . 16101 1 599 . 1 1 55 55 ILE HG23 H 1 0.758 0.05 . 1 . . . . 55 Ile HG2 . 16101 1 600 . 1 1 55 55 ILE C C 13 175.623 0.5 . 1 . . . . 55 Ile C . 16101 1 601 . 1 1 55 55 ILE CA C 13 59.402 0.5 . 1 . . . . 55 Ile CA . 16101 1 602 . 1 1 55 55 ILE CB C 13 40.27 0.5 . 1 . . . . 55 Ile CB . 16101 1 603 . 1 1 55 55 ILE CD1 C 13 13.57 0.5 . 1 . . . . 55 Ile CD1 . 16101 1 604 . 1 1 55 55 ILE CG1 C 13 28.30 0.5 . 1 . . . . 55 Ile CG1 . 16101 1 605 . 1 1 55 55 ILE CG2 C 13 17.75 0.5 . 1 . . . . 55 Ile CG2 . 16101 1 606 . 1 1 55 55 ILE N N 15 123.589 0.5 . 1 . . . . 55 Ile N . 16101 1 607 . 1 1 56 56 PHE H H 1 9.241 0.05 . 1 . . . . 56 Phe H . 16101 1 608 . 1 1 56 56 PHE HA H 1 5.212 0.05 . 1 . . . . 56 Phe HA . 16101 1 609 . 1 1 56 56 PHE HB2 H 1 2.889 0.05 . 2 . . . . 56 Phe HB2 . 16101 1 610 . 1 1 56 56 PHE HB3 H 1 2.964 0.05 . 2 . . . . 56 Phe HB3 . 16101 1 611 . 1 1 56 56 PHE HD1 H 1 7.395 0.05 . 1 . . . . 56 Phe HD1 . 16101 1 612 . 1 1 56 56 PHE HD2 H 1 7.395 0.05 . 1 . . . . 56 Phe HD2 . 16101 1 613 . 1 1 56 56 PHE HE1 H 1 7.511 0.05 . 1 . . . . 56 Phe HE1 . 16101 1 614 . 1 1 56 56 PHE HE2 H 1 7.511 0.05 . 1 . . . . 56 Phe HE2 . 16101 1 615 . 1 1 56 56 PHE C C 13 174.6 0.5 . 1 . . . . 56 Phe C . 16101 1 616 . 1 1 56 56 PHE CA C 13 55.936 0.5 . 1 . . . . 56 Phe CA . 16101 1 617 . 1 1 56 56 PHE CB C 13 42.83 0.5 . 1 . . . . 56 Phe CB . 16101 1 618 . 1 1 56 56 PHE CD1 C 13 132.0 0.5 . 1 . . . . 56 Phe CD1 . 16101 1 619 . 1 1 56 56 PHE CD2 C 13 132.0 0.5 . 1 . . . . 56 Phe CD2 . 16101 1 620 . 1 1 56 56 PHE CE1 C 13 132.0 0.5 . 1 . . . . 56 Phe CE1 . 16101 1 621 . 1 1 56 56 PHE CE2 C 13 132.0 0.5 . 1 . . . . 56 Phe CE2 . 16101 1 622 . 1 1 56 56 PHE N N 15 127.423 0.5 . 1 . . . . 56 Phe N . 16101 1 623 . 1 1 56 56 PHE CZ C 13 130.400 0.5 . 1 . . . . 56 Phe CZ . 16101 1 624 . 1 1 56 56 PHE HZ H 1 7.470 0.05 . 1 . . . . 56 Phe HZ . 16101 1 625 . 1 1 57 57 LYS H H 1 9.307 0.05 . 1 . . . . 57 Lys H . 16101 1 626 . 1 1 57 57 LYS HA H 1 3.630 0.05 . 1 . . . . 57 Lys HA . 16101 1 627 . 1 1 57 57 LYS HB2 H 1 1.292 0.05 . 2 . . . . 57 Lys HB2 . 16101 1 628 . 1 1 57 57 LYS HB3 H 1 1.641 0.05 . 2 . . . . 57 Lys HB3 . 16101 1 629 . 1 1 57 57 LYS HD2 H 1 1.31 0.05 . 2 . . . . 57 Lys HD2 . 16101 1 630 . 1 1 57 57 LYS HD3 H 1 1.382 0.05 . 2 . . . . 57 Lys HD3 . 16101 1 631 . 1 1 57 57 LYS HE2 H 1 2.773 0.05 . 2 . . . . 57 Lys HE2 . 16101 1 632 . 1 1 57 57 LYS HE3 H 1 2.843 0.05 . 2 . . . . 57 Lys HE3 . 16101 1 633 . 1 1 57 57 LYS HG2 H 1 0.721 0.05 . 2 . . . . 57 Lys HG2 . 16101 1 634 . 1 1 57 57 LYS HG3 H 1 0.142 0.05 . 2 . . . . 57 Lys HG3 . 16101 1 635 . 1 1 57 57 LYS C C 13 176.62 0.5 . 1 . . . . 57 Lys C . 16101 1 636 . 1 1 57 57 LYS CA C 13 57.495 0.5 . 1 . . . . 57 Lys CA . 16101 1 637 . 1 1 57 57 LYS CB C 13 30.10 0.5 . 1 . . . . 57 Lys CB . 16101 1 638 . 1 1 57 57 LYS CD C 13 29.65 0.5 . 1 . . . . 57 Lys CD . 16101 1 639 . 1 1 57 57 LYS CE C 13 42.06 0.5 . 1 . . . . 57 Lys CE . 16101 1 640 . 1 1 57 57 LYS CG C 13 24.533 0.5 . 1 . . . . 57 Lys CG . 16101 1 641 . 1 1 57 57 LYS N N 15 128.612 0.5 . 1 . . . . 57 Lys N . 16101 1 642 . 1 1 58 58 GLY H H 1 8.288 0.05 . 1 . . . . 58 Gly H . 16101 1 643 . 1 1 58 58 GLY HA2 H 1 3.487 0.05 . 2 . . . . 58 Gly HA2 . 16101 1 644 . 1 1 58 58 GLY HA3 H 1 4.098 0.05 . 2 . . . . 58 Gly HA3 . 16101 1 645 . 1 1 58 58 GLY C C 13 173.568 0.5 . 1 . . . . 58 Gly C . 16101 1 646 . 1 1 58 58 GLY CA C 13 45.475 0.5 . 1 . . . . 58 Gly CA . 16101 1 647 . 1 1 58 58 GLY N N 15 102.757 0.5 . 1 . . . . 58 Gly N . 16101 1 648 . 1 1 59 59 LYS H H 1 7.90 0.05 . 1 . . . . 59 Lys H . 16101 1 649 . 1 1 59 59 LYS HA H 1 4.667 0.05 . 1 . . . . 59 Lys HA . 16101 1 650 . 1 1 59 59 LYS HB2 H 1 1.879 0.05 . 2 . . . . 59 Lys HB2 . 16101 1 651 . 1 1 59 59 LYS HB3 H 1 1.879 0.05 . 2 . . . . 59 Lys HB3 . 16101 1 652 . 1 1 59 59 LYS HD2 H 1 1.746 0.05 . 2 . . . . 59 Lys HD2 . 16101 1 653 . 1 1 59 59 LYS HD3 H 1 1.746 0.05 . 2 . . . . 59 Lys HD3 . 16101 1 654 . 1 1 59 59 LYS HE2 H 1 3.062 0.05 . 2 . . . . 59 Lys HE2 . 16101 1 655 . 1 1 59 59 LYS HE3 H 1 3.062 0.05 . 2 . . . . 59 Lys HE3 . 16101 1 656 . 1 1 59 59 LYS HG2 H 1 1.414 0.05 . 2 . . . . 59 Lys HG2 . 16101 1 657 . 1 1 59 59 LYS HG3 H 1 1.475 0.05 . 2 . . . . 59 Lys HG3 . 16101 1 658 . 1 1 59 59 LYS C C 13 174.83 0.5 . 1 . . . . 59 Lys C . 16101 1 659 . 1 1 59 59 LYS CA C 13 55.222 0.5 . 1 . . . . 59 Lys CA . 16101 1 660 . 1 1 59 59 LYS CB C 13 35.01 0.5 . 1 . . . . 59 Lys CB . 16101 1 661 . 1 1 59 59 LYS CD C 13 29.67 0.5 . 1 . . . . 59 Lys CD . 16101 1 662 . 1 1 59 59 LYS CE C 13 42.57 0.5 . 1 . . . . 59 Lys CE . 16101 1 663 . 1 1 59 59 LYS CG C 13 24.800 0.5 . 1 . . . . 59 Lys CG . 16101 1 664 . 1 1 59 59 LYS N N 15 121.753 0.5 . 1 . . . . 59 Lys N . 16101 1 665 . 1 1 60 60 VAL H H 1 8.587 0.05 . 1 . . . . 60 Val H . 16101 1 666 . 1 1 60 60 VAL HA H 1 4.209 0.05 . 1 . . . . 60 Val HA . 16101 1 667 . 1 1 60 60 VAL HB H 1 1.979 0.05 . 1 . . . . 60 Val HB . 16101 1 668 . 1 1 60 60 VAL HG11 H 1 0.993 0.05 . 2 . . . . 60 Val HG1 . 16101 1 669 . 1 1 60 60 VAL HG12 H 1 0.993 0.05 . 2 . . . . 60 Val HG1 . 16101 1 670 . 1 1 60 60 VAL HG13 H 1 0.993 0.05 . 2 . . . . 60 Val HG1 . 16101 1 671 . 1 1 60 60 VAL HG21 H 1 0.993 0.05 . 2 . . . . 60 Val HG2 . 16101 1 672 . 1 1 60 60 VAL HG22 H 1 0.993 0.05 . 2 . . . . 60 Val HG2 . 16101 1 673 . 1 1 60 60 VAL HG23 H 1 0.993 0.05 . 2 . . . . 60 Val HG2 . 16101 1 674 . 1 1 60 60 VAL C C 13 177.38 0.5 . 1 . . . . 60 Val C . 16101 1 675 . 1 1 60 60 VAL CA C 13 63.080 0.5 . 1 . . . . 60 Val CA . 16101 1 676 . 1 1 60 60 VAL CB C 13 32.101 0.5 . 1 . . . . 60 Val CB . 16101 1 677 . 1 1 60 60 VAL CG1 C 13 22.10 0.5 . 2 . . . . 60 Val CG1 . 16101 1 678 . 1 1 60 60 VAL CG2 C 13 22.446 0.5 . 2 . . . . 60 Val CG2 . 16101 1 679 . 1 1 60 60 VAL N N 15 123.795 0.5 . 1 . . . . 60 Val N . 16101 1 680 . 1 1 61 61 LEU H H 1 8.876 0.05 . 1 . . . . 61 Leu H . 16101 1 681 . 1 1 61 61 LEU HA H 1 4.430 0.05 . 1 . . . . 61 Leu HA . 16101 1 682 . 1 1 61 61 LEU HB2 H 1 1.355 0.05 . 2 . . . . 61 Leu HB2 . 16101 1 683 . 1 1 61 61 LEU HB3 H 1 1.696 0.05 . 2 . . . . 61 Leu HB3 . 16101 1 684 . 1 1 61 61 LEU HD11 H 1 0.687 0.05 . 2 . . . . 61 Leu HD1 . 16101 1 685 . 1 1 61 61 LEU HD12 H 1 0.687 0.05 . 2 . . . . 61 Leu HD1 . 16101 1 686 . 1 1 61 61 LEU HD13 H 1 0.687 0.05 . 2 . . . . 61 Leu HD1 . 16101 1 687 . 1 1 61 61 LEU HD21 H 1 0.99 0.05 . 2 . . . . 61 Leu HD2 . 16101 1 688 . 1 1 61 61 LEU HD22 H 1 0.99 0.05 . 2 . . . . 61 Leu HD2 . 16101 1 689 . 1 1 61 61 LEU HD23 H 1 0.99 0.05 . 2 . . . . 61 Leu HD2 . 16101 1 690 . 1 1 61 61 LEU HG H 1 1.762 0.05 . 1 . . . . 61 Leu HG . 16101 1 691 . 1 1 61 61 LEU C C 13 176.66 0.5 . 1 . . . . 61 Leu C . 16101 1 692 . 1 1 61 61 LEU CA C 13 54.76 0.5 . 1 . . . . 61 Leu CA . 16101 1 693 . 1 1 61 61 LEU CB C 13 43.06 0.5 . 1 . . . . 61 Leu CB . 16101 1 694 . 1 1 61 61 LEU CD1 C 13 26.55 0.5 . 2 . . . . 61 Leu CD1 . 16101 1 695 . 1 1 61 61 LEU CD2 C 13 23.14 0.5 . 2 . . . . 61 Leu CD2 . 16101 1 696 . 1 1 61 61 LEU CG C 13 26.923 0.5 . 1 . . . . 61 Leu CG . 16101 1 697 . 1 1 61 61 LEU N N 15 129.083 0.5 . 1 . . . . 61 Leu N . 16101 1 698 . 1 1 62 62 VAL H H 1 8.759 0.05 . 1 . . . . 62 Val H . 16101 1 699 . 1 1 62 62 VAL HA H 1 3.989 0.05 . 1 . . . . 62 Val HA . 16101 1 700 . 1 1 62 62 VAL HB H 1 2.091 0.05 . 1 . . . . 62 Val HB . 16101 1 701 . 1 1 62 62 VAL HG11 H 1 1.074 0.05 . 2 . . . . 62 Val HG1 . 16101 1 702 . 1 1 62 62 VAL HG12 H 1 1.074 0.05 . 2 . . . . 62 Val HG1 . 16101 1 703 . 1 1 62 62 VAL HG13 H 1 1.074 0.05 . 2 . . . . 62 Val HG1 . 16101 1 704 . 1 1 62 62 VAL HG21 H 1 1.074 0.05 . 2 . . . . 62 Val HG2 . 16101 1 705 . 1 1 62 62 VAL HG22 H 1 1.074 0.05 . 2 . . . . 62 Val HG2 . 16101 1 706 . 1 1 62 62 VAL HG23 H 1 1.074 0.05 . 2 . . . . 62 Val HG2 . 16101 1 707 . 1 1 62 62 VAL C C 13 178.39 0.5 . 1 . . . . 62 Val C . 16101 1 708 . 1 1 62 62 VAL CA C 13 63.077 0.5 . 1 . . . . 62 Val CA . 16101 1 709 . 1 1 62 62 VAL CB C 13 32.44 0.5 . 1 . . . . 62 Val CB . 16101 1 710 . 1 1 62 62 VAL CG1 C 13 21.61 0.5 . 2 . . . . 62 Val CG1 . 16101 1 711 . 1 1 62 62 VAL CG2 C 13 21.61 0.5 . 2 . . . . 62 Val CG2 . 16101 1 712 . 1 1 62 62 VAL N N 15 124.193 0.5 . 1 . . . . 62 Val N . 16101 1 713 . 1 1 63 63 GLU H H 1 8.806 0.05 . 1 . . . . 63 Glu H . 16101 1 714 . 1 1 63 63 GLU HA H 1 3.757 0.05 . 1 . . . . 63 Glu HA . 16101 1 715 . 1 1 63 63 GLU HB2 H 1 2.134 0.05 . 2 . . . . 63 Glu HB2 . 16101 1 716 . 1 1 63 63 GLU HB3 H 1 2.018 0.05 . 2 . . . . 63 Glu HB3 . 16101 1 717 . 1 1 63 63 GLU HG2 H 1 2.152 0.05 . 2 . . . . 63 Glu HG2 . 16101 1 718 . 1 1 63 63 GLU HG3 H 1 2.429 0.05 . 2 . . . . 63 Glu HG3 . 16101 1 719 . 1 1 63 63 GLU C C 13 176.5 0.5 . 1 . . . . 63 Glu C . 16101 1 720 . 1 1 63 63 GLU CA C 13 60.509 0.5 . 1 . . . . 63 Glu CA . 16101 1 721 . 1 1 63 63 GLU CB C 13 30.58 0.5 . 1 . . . . 63 Glu CB . 16101 1 722 . 1 1 63 63 GLU CG C 13 37.65 0.5 . 1 . . . . 63 Glu CG . 16101 1 723 . 1 1 63 63 GLU N N 15 125.296 0.5 . 1 . . . . 63 Glu N . 16101 1 724 . 1 1 64 64 THR H H 1 7.100 0.05 . 1 . . . . 64 Thr H . 16101 1 725 . 1 1 64 64 THR HA H 1 4.279 0.05 . 1 . . . . 64 Thr HA . 16101 1 726 . 1 1 64 64 THR HB H 1 4.545 0.05 . 1 . . . . 64 Thr HB . 16101 1 727 . 1 1 64 64 THR HG21 H 1 1.285 0.05 . 1 . . . . 64 Thr HG2 . 16101 1 728 . 1 1 64 64 THR HG22 H 1 1.285 0.05 . 1 . . . . 64 Thr HG2 . 16101 1 729 . 1 1 64 64 THR HG23 H 1 1.285 0.05 . 1 . . . . 64 Thr HG2 . 16101 1 730 . 1 1 64 64 THR C C 13 175.29 0.5 . 1 . . . . 64 Thr C . 16101 1 731 . 1 1 64 64 THR CA C 13 61.466 0.5 . 1 . . . . 64 Thr CA . 16101 1 732 . 1 1 64 64 THR CB C 13 68.84 0.5 . 1 . . . . 64 Thr CB . 16101 1 733 . 1 1 64 64 THR CG2 C 13 22.24 0.5 . 1 . . . . 64 Thr CG2 . 16101 1 734 . 1 1 64 64 THR N N 15 102.822 0.5 . 1 . . . . 64 Thr N . 16101 1 735 . 1 1 65 65 SER H H 1 7.749 0.05 . 1 . . . . 65 Ser H . 16101 1 736 . 1 1 65 65 SER HA H 1 4.676 0.05 . 1 . . . . 65 Ser HA . 16101 1 737 . 1 1 65 65 SER HB2 H 1 3.865 0.05 . 2 . . . . 65 Ser HB2 . 16101 1 738 . 1 1 65 65 SER HB3 H 1 3.865 0.05 . 2 . . . . 65 Ser HB3 . 16101 1 739 . 1 1 65 65 SER C C 13 174.30 0.5 . 1 . . . . 65 Ser C . 16101 1 740 . 1 1 65 65 SER CA C 13 58.06 0.5 . 1 . . . . 65 Ser CA . 16101 1 741 . 1 1 65 65 SER CB C 13 64.95 0.5 . 1 . . . . 65 Ser CB . 16101 1 742 . 1 1 65 65 SER N N 15 117.966 0.5 . 1 . . . . 65 Ser N . 16101 1 743 . 1 1 66 66 THR H H 1 8.512 0.05 . 1 . . . . 66 Thr H . 16101 1 744 . 1 1 66 66 THR HA H 1 5.032 0.05 . 1 . . . . 66 Thr HA . 16101 1 745 . 1 1 66 66 THR HB H 1 4.508 0.05 . 1 . . . . 66 Thr HB . 16101 1 746 . 1 1 66 66 THR HG1 H 1 6.08 0.05 . 1 . . . . 66 Thr HG1 . 16101 1 747 . 1 1 66 66 THR HG21 H 1 1.227 0.05 . 1 . . . . 66 Thr HG2 . 16101 1 748 . 1 1 66 66 THR HG22 H 1 1.227 0.05 . 1 . . . . 66 Thr HG2 . 16101 1 749 . 1 1 66 66 THR HG23 H 1 1.227 0.05 . 1 . . . . 66 Thr HG2 . 16101 1 750 . 1 1 66 66 THR C C 13 177.3 0.5 . 1 . . . . 66 Thr C . 16101 1 751 . 1 1 66 66 THR CA C 13 60.20 0.5 . 1 . . . . 66 Thr CA . 16101 1 752 . 1 1 66 66 THR CB C 13 71.55 0.5 . 1 . . . . 66 Thr CB . 16101 1 753 . 1 1 66 66 THR CG2 C 13 22.17 0.5 . 1 . . . . 66 Thr CG2 . 16101 1 754 . 1 1 66 66 THR N N 15 111.490 0.5 . 1 . . . . 66 Thr N . 16101 1 755 . 1 1 67 67 LEU H H 1 8.451 0.05 . 1 . . . . 67 Leu H . 16101 1 756 . 1 1 67 67 LEU HA H 1 3.753 0.05 . 1 . . . . 67 Leu HA . 16101 1 757 . 1 1 67 67 LEU HB2 H 1 1.346 0.05 . 2 . . . . 67 Leu HB2 . 16101 1 758 . 1 1 67 67 LEU HB3 H 1 1.949 0.05 . 2 . . . . 67 Leu HB3 . 16101 1 759 . 1 1 67 67 LEU HD11 H 1 0.492 0.05 . 2 . . . . 67 Leu HD1 . 16101 1 760 . 1 1 67 67 LEU HD12 H 1 0.492 0.05 . 2 . . . . 67 Leu HD1 . 16101 1 761 . 1 1 67 67 LEU HD13 H 1 0.492 0.05 . 2 . . . . 67 Leu HD1 . 16101 1 762 . 1 1 67 67 LEU HD21 H 1 0.737 0.05 . 2 . . . . 67 Leu HD2 . 16101 1 763 . 1 1 67 67 LEU HD22 H 1 0.737 0.05 . 2 . . . . 67 Leu HD2 . 16101 1 764 . 1 1 67 67 LEU HD23 H 1 0.737 0.05 . 2 . . . . 67 Leu HD2 . 16101 1 765 . 1 1 67 67 LEU HG H 1 1.758 0.05 . 1 . . . . 67 Leu HG . 16101 1 766 . 1 1 67 67 LEU C C 13 179.17 0.5 . 1 . . . . 67 Leu C . 16101 1 767 . 1 1 67 67 LEU CA C 13 59.234 0.5 . 1 . . . . 67 Leu CA . 16101 1 768 . 1 1 67 67 LEU CB C 13 38.897 0.5 . 1 . . . . 67 Leu CB . 16101 1 769 . 1 1 67 67 LEU CD1 C 13 21.49 0.5 . 2 . . . . 67 Leu CD1 . 16101 1 770 . 1 1 67 67 LEU CD2 C 13 26.88 0.5 . 2 . . . . 67 Leu CD2 . 16101 1 771 . 1 1 67 67 LEU CG C 13 26.68 0.5 . 1 . . . . 67 Leu CG . 16101 1 772 . 1 1 67 67 LEU N N 15 122.302 0.5 . 1 . . . . 67 Leu N . 16101 1 773 . 1 1 68 68 LYS H H 1 8.313 0.05 . 1 . . . . 68 Lys H . 16101 1 774 . 1 1 68 68 LYS HA H 1 4.090 0.05 . 1 . . . . 68 Lys HA . 16101 1 775 . 1 1 68 68 LYS HB2 H 1 1.72 0.05 . 2 . . . . 68 Lys HB2 . 16101 1 776 . 1 1 68 68 LYS HB3 H 1 1.77 0.05 . 2 . . . . 68 Lys HB3 . 16101 1 777 . 1 1 68 68 LYS HD2 H 1 1.669 0.05 . 2 . . . . 68 Lys HD2 . 16101 1 778 . 1 1 68 68 LYS HD3 H 1 1.669 0.05 . 2 . . . . 68 Lys HD3 . 16101 1 779 . 1 1 68 68 LYS HE2 H 1 2.93 0.05 . 2 . . . . 68 Lys HE2 . 16101 1 780 . 1 1 68 68 LYS HE3 H 1 2.93 0.05 . 2 . . . . 68 Lys HE3 . 16101 1 781 . 1 1 68 68 LYS HG2 H 1 1.392 0.05 . 2 . . . . 68 Lys HG2 . 16101 1 782 . 1 1 68 68 LYS HG3 H 1 1.392 0.05 . 2 . . . . 68 Lys HG3 . 16101 1 783 . 1 1 68 68 LYS C C 13 180.95 0.5 . 1 . . . . 68 Lys C . 16101 1 784 . 1 1 68 68 LYS CA C 13 59.62 0.5 . 1 . . . . 68 Lys CA . 16101 1 785 . 1 1 68 68 LYS CB C 13 32.49 0.5 . 1 . . . . 68 Lys CB . 16101 1 786 . 1 1 68 68 LYS CD C 13 29.29 0.5 . 1 . . . . 68 Lys CD . 16101 1 787 . 1 1 68 68 LYS CE C 13 41.99 0.5 . 1 . . . . 68 Lys CE . 16101 1 788 . 1 1 68 68 LYS CG C 13 24.494 0.5 . 1 . . . . 68 Lys CG . 16101 1 789 . 1 1 68 68 LYS N N 15 120.066 0.5 . 1 . . . . 68 Lys N . 16101 1 790 . 1 1 69 69 GLN H H 1 8.019 0.05 . 1 . . . . 69 Gln H . 16101 1 791 . 1 1 69 69 GLN HA H 1 4.086 0.05 . 1 . . . . 69 Gln HA . 16101 1 792 . 1 1 69 69 GLN HB2 H 1 2.098 0.05 . 2 . . . . 69 Gln HB2 . 16101 1 793 . 1 1 69 69 GLN HB3 H 1 2.317 0.05 . 2 . . . . 69 Gln HB3 . 16101 1 794 . 1 1 69 69 GLN HE21 H 1 6.902 0.05 . 2 . . . . 69 Gln HE21 . 16101 1 795 . 1 1 69 69 GLN HE22 H 1 7.544 0.05 . 2 . . . . 69 Gln HE22 . 16101 1 796 . 1 1 69 69 GLN HG2 H 1 2.464 0.05 . 2 . . . . 69 Gln HG2 . 16101 1 797 . 1 1 69 69 GLN HG3 H 1 2.546 0.05 . 2 . . . . 69 Gln HG3 . 16101 1 798 . 1 1 69 69 GLN C C 13 177.84 0.5 . 1 . . . . 69 Gln C . 16101 1 799 . 1 1 69 69 GLN CA C 13 58.26 0.5 . 1 . . . . 69 Gln CA . 16101 1 800 . 1 1 69 69 GLN CB C 13 28.58 0.5 . 1 . . . . 69 Gln CB . 16101 1 801 . 1 1 69 69 GLN CG C 13 34.38 0.5 . 1 . . . . 69 Gln CG . 16101 1 802 . 1 1 69 69 GLN N N 15 119.594 0.5 . 1 . . . . 69 Gln N . 16101 1 803 . 1 1 69 69 GLN NE2 N 15 111.1 0.5 . 1 . . . . 69 Gln NE2 . 16101 1 804 . 1 1 70 70 SER H H 1 7.544 0.05 . 1 . . . . 70 Ser H . 16101 1 805 . 1 1 70 70 SER HA H 1 4.517 0.05 . 1 . . . . 70 Ser HA . 16101 1 806 . 1 1 70 70 SER HB2 H 1 4.064 0.05 . 2 . . . . 70 Ser HB2 . 16101 1 807 . 1 1 70 70 SER HB3 H 1 3.834 0.05 . 2 . . . . 70 Ser HB3 . 16101 1 808 . 1 1 70 70 SER C C 13 171.87 0.5 . 1 . . . . 70 Ser C . 16101 1 809 . 1 1 70 70 SER CA C 13 58.92 0.5 . 1 . . . . 70 Ser CA . 16101 1 810 . 1 1 70 70 SER CB C 13 64.446 0.5 . 1 . . . . 70 Ser CB . 16101 1 811 . 1 1 70 70 SER N N 15 114.028 0.5 . 1 . . . . 70 Ser N . 16101 1 812 . 1 1 71 71 ASP H H 1 7.882 0.05 . 1 . . . . 71 Asp H . 16101 1 813 . 1 1 71 71 ASP HA H 1 4.278 0.05 . 1 . . . . 71 Asp HA . 16101 1 814 . 1 1 71 71 ASP HB2 H 1 2.808 0.05 . 2 . . . . 71 Asp HB2 . 16101 1 815 . 1 1 71 71 ASP HB3 H 1 3.191 0.05 . 2 . . . . 71 Asp HB3 . 16101 1 816 . 1 1 71 71 ASP C C 13 174.05 0.5 . 1 . . . . 71 Asp C . 16101 1 817 . 1 1 71 71 ASP CA C 13 55.66 0.5 . 1 . . . . 71 Asp CA . 16101 1 818 . 1 1 71 71 ASP CB C 13 39.54 0.5 . 1 . . . . 71 Asp CB . 16101 1 819 . 1 1 71 71 ASP N N 15 116.055 0.5 . 1 . . . . 71 Asp N . 16101 1 820 . 1 1 72 72 VAL H H 1 7.723 0.05 . 1 . . . . 72 Val H . 16101 1 821 . 1 1 72 72 VAL HA H 1 3.285 0.05 . 1 . . . . 72 Val HA . 16101 1 822 . 1 1 72 72 VAL HB H 1 1.615 0.05 . 1 . . . . 72 Val HB . 16101 1 823 . 1 1 72 72 VAL HG11 H 1 0.328 0.05 . 2 . . . . 72 Val HG1 . 16101 1 824 . 1 1 72 72 VAL HG12 H 1 0.328 0.05 . 2 . . . . 72 Val HG1 . 16101 1 825 . 1 1 72 72 VAL HG13 H 1 0.328 0.05 . 2 . . . . 72 Val HG1 . 16101 1 826 . 1 1 72 72 VAL HG21 H 1 -0.097 0.05 . 2 . . . . 72 Val HG2 . 16101 1 827 . 1 1 72 72 VAL HG22 H 1 -0.097 0.05 . 2 . . . . 72 Val HG2 . 16101 1 828 . 1 1 72 72 VAL HG23 H 1 -0.097 0.05 . 2 . . . . 72 Val HG2 . 16101 1 829 . 1 1 72 72 VAL C C 13 173.98 0.5 . 1 . . . . 72 Val C . 16101 1 830 . 1 1 72 72 VAL CA C 13 62.744 0.5 . 1 . . . . 72 Val CA . 16101 1 831 . 1 1 72 72 VAL CB C 13 30.727 0.5 . 1 . . . . 72 Val CB . 16101 1 832 . 1 1 72 72 VAL CG1 C 13 22.29 0.5 . 2 . . . . 72 Val CG1 . 16101 1 833 . 1 1 72 72 VAL CG2 C 13 20.36 0.5 . 2 . . . . 72 Val CG2 . 16101 1 834 . 1 1 72 72 VAL N N 15 119.423 0.5 . 1 . . . . 72 Val N . 16101 1 835 . 1 1 73 73 GLY H H 1 7.722 0.05 . 1 . . . . 73 Gly H . 16101 1 836 . 1 1 73 73 GLY HA2 H 1 3.59 0.05 . 2 . . . . 73 Gly HA2 . 16101 1 837 . 1 1 73 73 GLY HA3 H 1 4.416 0.05 . 2 . . . . 73 Gly HA3 . 16101 1 838 . 1 1 73 73 GLY C C 13 172.45 0.5 . 1 . . . . 73 Gly C . 16101 1 839 . 1 1 73 73 GLY CA C 13 42.82 0.5 . 1 . . . . 73 Gly CA . 16101 1 840 . 1 1 73 73 GLY N N 15 114.445 0.5 . 1 . . . . 73 Gly N . 16101 1 841 . 1 1 74 74 SER H H 1 8.552 0.05 . 1 . . . . 74 Ser H . 16101 1 842 . 1 1 74 74 SER HA H 1 4.365 0.05 . 1 . . . . 74 Ser HA . 16101 1 843 . 1 1 74 74 SER HB2 H 1 3.984 0.05 . 2 . . . . 74 Ser HB2 . 16101 1 844 . 1 1 74 74 SER HB3 H 1 3.89 0.05 . 2 . . . . 74 Ser HB3 . 16101 1 845 . 1 1 74 74 SER C C 13 177.24 0.5 . 1 . . . . 74 Ser C . 16101 1 846 . 1 1 74 74 SER CA C 13 60.42 0.5 . 1 . . . . 74 Ser CA . 16101 1 847 . 1 1 74 74 SER CB C 13 63.35 0.5 . 1 . . . . 74 Ser CB . 16101 1 848 . 1 1 74 74 SER N N 15 111.883 0.5 . 1 . . . . 74 Ser N . 16101 1 849 . 1 1 75 75 GLY H H 1 9.718 0.05 . 1 . . . . 75 Gly H . 16101 1 850 . 1 1 75 75 GLY HA2 H 1 3.693 0.05 . 2 . . . . 75 Gly HA2 . 16101 1 851 . 1 1 75 75 GLY HA3 H 1 4.328 0.05 . 2 . . . . 75 Gly HA3 . 16101 1 852 . 1 1 75 75 GLY C C 13 174.5 0.5 . 1 . . . . 75 Gly C . 16101 1 853 . 1 1 75 75 GLY CA C 13 44.99 0.5 . 1 . . . . 75 Gly CA . 16101 1 854 . 1 1 75 75 GLY N N 15 115.986 0.5 . 1 . . . . 75 Gly N . 16101 1 855 . 1 1 76 76 ALA H H 1 7.939 0.05 . 1 . . . . 76 Ala H . 16101 1 856 . 1 1 76 76 ALA HA H 1 4.363 0.05 . 1 . . . . 76 Ala HA . 16101 1 857 . 1 1 76 76 ALA HB1 H 1 1.512 0.05 . 1 . . . . 76 Ala HB . 16101 1 858 . 1 1 76 76 ALA HB2 H 1 1.512 0.05 . 1 . . . . 76 Ala HB . 16101 1 859 . 1 1 76 76 ALA HB3 H 1 1.512 0.05 . 1 . . . . 76 Ala HB . 16101 1 860 . 1 1 76 76 ALA C C 13 176.17 0.5 . 1 . . . . 76 Ala C . 16101 1 861 . 1 1 76 76 ALA CA C 13 53.372 0.5 . 1 . . . . 76 Ala CA . 16101 1 862 . 1 1 76 76 ALA CB C 13 21.4 0.5 . 1 . . . . 76 Ala CB . 16101 1 863 . 1 1 76 76 ALA N N 15 123.830 0.5 . 1 . . . . 76 Ala N . 16101 1 864 . 1 1 77 77 LYS H H 1 8.435 0.05 . 1 . . . . 77 Lys H . 16101 1 865 . 1 1 77 77 LYS HA H 1 5.195 0.05 . 1 . . . . 77 Lys HA . 16101 1 866 . 1 1 77 77 LYS HB2 H 1 1.804 0.05 . 2 . . . . 77 Lys HB2 . 16101 1 867 . 1 1 77 77 LYS HB3 H 1 1.864 0.05 . 2 . . . . 77 Lys HB3 . 16101 1 868 . 1 1 77 77 LYS HD2 H 1 1.697 0.05 . 2 . . . . 77 Lys HD2 . 16101 1 869 . 1 1 77 77 LYS HD3 H 1 1.697 0.05 . 2 . . . . 77 Lys HD3 . 16101 1 870 . 1 1 77 77 LYS HE2 H 1 3.04 0.05 . 2 . . . . 77 Lys HE2 . 16101 1 871 . 1 1 77 77 LYS HE3 H 1 3.04 0.05 . 2 . . . . 77 Lys HE3 . 16101 1 872 . 1 1 77 77 LYS HG2 H 1 1.353 0.05 . 2 . . . . 77 Lys HG2 . 16101 1 873 . 1 1 77 77 LYS HG3 H 1 1.566 0.05 . 2 . . . . 77 Lys HG3 . 16101 1 874 . 1 1 77 77 LYS C C 13 175.45 0.5 . 1 . . . . 77 Lys C . 16101 1 875 . 1 1 77 77 LYS CA C 13 54.93 0.5 . 1 . . . . 77 Lys CA . 16101 1 876 . 1 1 77 77 LYS CB C 13 33.52 0.5 . 1 . . . . 77 Lys CB . 16101 1 877 . 1 1 77 77 LYS CD C 13 29.05 0.5 . 1 . . . . 77 Lys CD . 16101 1 878 . 1 1 77 77 LYS CE C 13 42.23 0.5 . 1 . . . . 77 Lys CE . 16101 1 879 . 1 1 77 77 LYS CG C 13 25.02 0.5 . 1 . . . . 77 Lys CG . 16101 1 880 . 1 1 77 77 LYS N N 15 120.636 0.5 . 1 . . . . 77 Lys N . 16101 1 881 . 1 1 78 78 LEU H H 1 9.016 0.05 . 1 . . . . 78 Leu H . 16101 1 882 . 1 1 78 78 LEU HA H 1 5.225 0.05 . 1 . . . . 78 Leu HA . 16101 1 883 . 1 1 78 78 LEU HB2 H 1 1.688 0.05 . 2 . . . . 78 Leu HB2 . 16101 1 884 . 1 1 78 78 LEU HB3 H 1 1.516 0.05 . 2 . . . . 78 Leu HB3 . 16101 1 885 . 1 1 78 78 LEU HD11 H 1 0.707 0.05 . 2 . . . . 78 Leu HD1 . 16101 1 886 . 1 1 78 78 LEU HD12 H 1 0.707 0.05 . 2 . . . . 78 Leu HD1 . 16101 1 887 . 1 1 78 78 LEU HD13 H 1 0.707 0.05 . 2 . . . . 78 Leu HD1 . 16101 1 888 . 1 1 78 78 LEU HD21 H 1 0.707 0.05 . 2 . . . . 78 Leu HD2 . 16101 1 889 . 1 1 78 78 LEU HD22 H 1 0.707 0.05 . 2 . . . . 78 Leu HD2 . 16101 1 890 . 1 1 78 78 LEU HD23 H 1 0.707 0.05 . 2 . . . . 78 Leu HD2 . 16101 1 891 . 1 1 78 78 LEU HG H 1 1.47 0.05 . 1 . . . . 78 Leu HG . 16101 1 892 . 1 1 78 78 LEU C C 13 175.97 0.5 . 1 . . . . 78 Leu C . 16101 1 893 . 1 1 78 78 LEU CA C 13 53.7 0.5 . 1 . . . . 78 Leu CA . 16101 1 894 . 1 1 78 78 LEU CB C 13 45.25 0.5 . 1 . . . . 78 Leu CB . 16101 1 895 . 1 1 78 78 LEU CD1 C 13 26.05 0.5 . 2 . . . . 78 Leu CD1 . 16101 1 896 . 1 1 78 78 LEU CD2 C 13 26.05 0.5 . 2 . . . . 78 Leu CD2 . 16101 1 897 . 1 1 78 78 LEU CG C 13 29.47 0.5 . 1 . . . . 78 Leu CG . 16101 1 898 . 1 1 78 78 LEU N N 15 123.751 0.5 . 1 . . . . 78 Leu N . 16101 1 899 . 1 1 79 79 MET H H 1 8.983 0.05 . 1 . . . . 79 Met H . 16101 1 900 . 1 1 79 79 MET HA H 1 5.163 0.05 . 1 . . . . 79 Met HA . 16101 1 901 . 1 1 79 79 MET HB2 H 1 2.10 0.05 . 2 . . . . 79 Met HB2 . 16101 1 902 . 1 1 79 79 MET HB3 H 1 2.10 0.05 . 2 . . . . 79 Met HB3 . 16101 1 903 . 1 1 79 79 MET HG2 H 1 2.54 0.05 . 2 . . . . 79 Met HG2 . 16101 1 904 . 1 1 79 79 MET HG3 H 1 2.66 0.05 . 2 . . . . 79 Met HG3 . 16101 1 905 . 1 1 79 79 MET C C 13 173.97 0.5 . 1 . . . . 79 Met C . 16101 1 906 . 1 1 79 79 MET CA C 13 55.508 0.5 . 1 . . . . 79 Met CA . 16101 1 907 . 1 1 79 79 MET CB C 13 35.18 0.5 . 1 . . . . 79 Met CB . 16101 1 908 . 1 1 79 79 MET CG C 13 32.2 0.5 . 1 . . . . 79 Met CG . 16101 1 909 . 1 1 79 79 MET N N 15 120.99 0.5 . 1 . . . . 79 Met N . 16101 1 910 . 1 1 80 80 LEU H H 1 8.905 0.05 . 1 . . . . 80 Leu H . 16101 1 911 . 1 1 80 80 LEU HA H 1 5.235 0.05 . 1 . . . . 80 Leu HA . 16101 1 912 . 1 1 80 80 LEU HB2 H 1 1.868 0.05 . 2 . . . . 80 Leu HB2 . 16101 1 913 . 1 1 80 80 LEU HB3 H 1 1.022 0.05 . 2 . . . . 80 Leu HB3 . 16101 1 914 . 1 1 80 80 LEU HD11 H 1 0.233 0.05 . 2 . . . . 80 Leu HD1 . 16101 1 915 . 1 1 80 80 LEU HD12 H 1 0.233 0.05 . 2 . . . . 80 Leu HD1 . 16101 1 916 . 1 1 80 80 LEU HD13 H 1 0.233 0.05 . 2 . . . . 80 Leu HD1 . 16101 1 917 . 1 1 80 80 LEU HD21 H 1 0.679 0.05 . 2 . . . . 80 Leu HD2 . 16101 1 918 . 1 1 80 80 LEU HD22 H 1 0.679 0.05 . 2 . . . . 80 Leu HD2 . 16101 1 919 . 1 1 80 80 LEU HD23 H 1 0.679 0.05 . 2 . . . . 80 Leu HD2 . 16101 1 920 . 1 1 80 80 LEU HG H 1 1.225 0.05 . 1 . . . . 80 Leu HG . 16101 1 921 . 1 1 80 80 LEU C C 13 174.73 0.5 . 1 . . . . 80 Leu C . 16101 1 922 . 1 1 80 80 LEU CA C 13 54.071 0.5 . 1 . . . . 80 Leu CA . 16101 1 923 . 1 1 80 80 LEU CB C 13 43.54 0.5 . 1 . . . . 80 Leu CB . 16101 1 924 . 1 1 80 80 LEU CD1 C 13 25.58 0.5 . 2 . . . . 80 Leu CD1 . 16101 1 925 . 1 1 80 80 LEU CD2 C 13 24.15 0.5 . 2 . . . . 80 Leu CD2 . 16101 1 926 . 1 1 80 80 LEU CG C 13 27.71 0.5 . 1 . . . . 80 Leu CG . 16101 1 927 . 1 1 81 81 MET H H 1 9.229 0.05 . 1 . . . . 81 Met H . 16101 1 928 . 1 1 81 81 MET HA H 1 4.96 0.05 . 1 . . . . 81 Met HA . 16101 1 929 . 1 1 81 81 MET HB2 H 1 2.194 0.05 . 2 . . . . 81 Met HB2 . 16101 1 930 . 1 1 81 81 MET HB3 H 1 1.946 0.05 . 2 . . . . 81 Met HB3 . 16101 1 931 . 1 1 81 81 MET HE1 H 1 2.12 0.05 . 1 . . . . 81 Met HE . 16101 1 932 . 1 1 81 81 MET HE2 H 1 2.12 0.05 . 1 . . . . 81 Met HE . 16101 1 933 . 1 1 81 81 MET HE3 H 1 2.12 0.05 . 1 . . . . 81 Met HE . 16101 1 934 . 1 1 81 81 MET HG2 H 1 2.594 0.05 . 2 . . . . 81 Met HG2 . 16101 1 935 . 1 1 81 81 MET HG3 H 1 2.514 0.05 . 2 . . . . 81 Met HG3 . 16101 1 936 . 1 1 81 81 MET C C 13 174.45 0.5 . 1 . . . . 81 Met C . 16101 1 937 . 1 1 81 81 MET CA C 13 53.83 0.5 . 1 . . . . 81 Met CA . 16101 1 938 . 1 1 81 81 MET CB C 13 34.81 0.5 . 1 . . . . 81 Met CB . 16101 1 939 . 1 1 81 81 MET CE C 13 17.2 0.5 . 1 . . . . 81 Met CE . 16101 1 940 . 1 1 81 81 MET CG C 13 32.10 0.5 . 1 . . . . 81 Met CG . 16101 1 941 . 1 1 81 81 MET N N 15 125.712 0.5 . 1 . . . . 81 Met N . 16101 1 942 . 1 1 82 82 ALA H H 1 8.891 0.05 . 1 . . . . 82 Ala H . 16101 1 943 . 1 1 82 82 ALA HA H 1 5.043 0.05 . 1 . . . . 82 Ala HA . 16101 1 944 . 1 1 82 82 ALA HB1 H 1 1.487 0.05 . 1 . . . . 82 Ala HB . 16101 1 945 . 1 1 82 82 ALA HB2 H 1 1.487 0.05 . 1 . . . . 82 Ala HB . 16101 1 946 . 1 1 82 82 ALA HB3 H 1 1.487 0.05 . 1 . . . . 82 Ala HB . 16101 1 947 . 1 1 82 82 ALA C C 13 177.47 0.5 . 1 . . . . 82 Ala C . 16101 1 948 . 1 1 82 82 ALA CA C 13 51.01 0.5 . 1 . . . . 82 Ala CA . 16101 1 949 . 1 1 82 82 ALA CB C 13 21.124 0.5 . 1 . . . . 82 Ala CB . 16101 1 950 . 1 1 82 82 ALA N N 15 126.315 0.5 . 1 . . . . 82 Ala N . 16101 1 951 . 1 1 83 83 SER H H 1 8.719 0.05 . 1 . . . . 83 Ser H . 16101 1 952 . 1 1 83 83 SER HA H 1 4.497 0.05 . 1 . . . . 83 Ser HA . 16101 1 953 . 1 1 83 83 SER HB2 H 1 3.865 0.05 . 2 . . . . 83 Ser HB2 . 16101 1 954 . 1 1 83 83 SER HB3 H 1 3.865 0.05 . 2 . . . . 83 Ser HB3 . 16101 1 955 . 1 1 83 83 SER C C 13 174.36 0.5 . 1 . . . . 83 Ser C . 16101 1 956 . 1 1 83 83 SER CA C 13 58.534 0.5 . 1 . . . . 83 Ser CA . 16101 1 957 . 1 1 83 83 SER CB C 13 64.14 0.5 . 1 . . . . 83 Ser CB . 16101 1 958 . 1 1 83 83 SER N N 15 117.987 0.5 . 1 . . . . 83 Ser N . 16101 1 959 . 1 1 84 84 GLN H H 1 8.629 0.05 . 1 . . . . 84 Gln H . 16101 1 960 . 1 1 84 84 GLN HA H 1 4.449 0.05 . 1 . . . . 84 Gln HA . 16101 1 961 . 1 1 84 84 GLN HB2 H 1 2.202 0.05 . 2 . . . . 84 Gln HB2 . 16101 1 962 . 1 1 84 84 GLN HB3 H 1 2.023 0.05 . 2 . . . . 84 Gln HB3 . 16101 1 963 . 1 1 84 84 GLN HE21 H 1 6.906 0.05 . 2 . . . . 84 Gln HE21 . 16101 1 964 . 1 1 84 84 GLN HE22 H 1 7.65 0.05 . 2 . . . . 84 Gln HE22 . 16101 1 965 . 1 1 84 84 GLN HG2 H 1 2.391 0.05 . 2 . . . . 84 Gln HG2 . 16101 1 966 . 1 1 84 84 GLN HG3 H 1 2.391 0.05 . 2 . . . . 84 Gln HG3 . 16101 1 967 . 1 1 84 84 GLN C C 13 175.37 0.5 . 1 . . . . 84 Gln C . 16101 1 968 . 1 1 84 84 GLN CA C 13 55.89 0.5 . 1 . . . . 84 Gln CA . 16101 1 969 . 1 1 84 84 GLN CB C 13 29.86 0.5 . 1 . . . . 84 Gln CB . 16101 1 970 . 1 1 84 84 GLN CG C 13 34.03 0.5 . 1 . . . . 84 Gln CG . 16101 1 971 . 1 1 84 84 GLN N N 15 122.746 0.5 . 1 . . . . 84 Gln N . 16101 1 972 . 1 1 84 84 GLN NE2 N 15 112.90 0.5 . 1 . . . . 84 Gln NE2 . 16101 1 973 . 1 1 85 85 GLY H H 1 8.145 0.05 . 1 . . . . 85 Gly H . 16101 1 974 . 1 1 85 85 GLY HA2 H 1 3.761 0.05 . 2 . . . . 85 Gly HA2 . 16101 1 975 . 1 1 85 85 GLY HA3 H 1 3.761 0.05 . 2 . . . . 85 Gly HA3 . 16101 1 976 . 1 1 85 85 GLY C C 13 178.98 0.5 . 1 . . . . 85 Gly C . 16101 1 977 . 1 1 85 85 GLY CA C 13 46.444 0.5 . 1 . . . . 85 Gly CA . 16101 1 978 . 1 1 85 85 GLY N N 15 116.556 0.5 . 1 . . . . 85 Gly N . 16101 1 stop_ save_