data_17212 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17212 _Entry.Title ; 1H, 13C and 15N resonance assignment of Rap1 BRCT domain from Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-28 _Entry.Accession_date 2010-09-28 _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 . _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 Wen Zhang . . . 17212 2 Jiahai Zhang . . . 17212 3 Xiaoming Tu . . . 17212 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17212 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 17212 '15N chemical shifts' 89 17212 '1H chemical shifts' 487 17212 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 2 . . 2012-11-06 2010-09-28 update BMRB 'delete the outlier of 15 MET CG of 0.000' 17212 1 . . 2011-03-30 2010-09-28 original author 'original release' 17212 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17212 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21187076 _Citation.Full_citation . _Citation.Title 'Solution structure of Rap1 BRCT domain from Saccharomyces cerevisiae reveals a novel fold.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 404 _Citation.Journal_issue 4 _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 1055 _Citation.Page_last 1059 _Citation.Year 2011 _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 Wen Zhang . . . 17212 1 2 Jiahai Zhang . . . 17212 1 3 Xuecheng Zhang . . . 17212 1 4 Chao Xu . . . 17212 1 5 Xiaoming Tu . . . 17212 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17212 _Assembly.ID 1 _Assembly.Name 'Rap1 BRCT domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Rap1 BRCT domain' 1 $Rap1_BRCT_domain A . yes native no no . . . 17212 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rap1_BRCT_domain _Entity.Sf_category entity _Entity.Sf_framecode Rap1_BRCT_domain _Entity.Entry_ID 17212 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rap1_BRCT_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEKKEQVSGPPLSNMKFYLN RDADAHDSLNDIDQLARLIR ANGGEVLDSKPRESKENVFI VSPYNHTNLPTVTPTYIKAC CQSNSLLNMENYLVPYDNLE HHHHHH ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2L42 . "The Solution Structure Of Rap1 Brct Domain From Saccharomyces Cerevisiae" . . . . . 100.00 106 100.00 100.00 1.13e-71 . . . . 17212 1 2 no DBJ GAA25889 . "K7_Rap1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 92.45 827 98.98 98.98 5.05e-60 . . . . 17212 1 3 no EMBL CAA55491 . "N1310 [Saccharomyces cerevisiae]" . . . . . 92.45 827 98.98 98.98 4.86e-60 . . . . 17212 1 4 no EMBL CAA96118 . "RAP1 [Saccharomyces cerevisiae]" . . . . . 92.45 827 98.98 98.98 4.86e-60 . . . . 17212 1 5 no EMBL CAY82390 . "Rap1p [Saccharomyces cerevisiae EC1118]" . . . . . 92.45 827 98.98 98.98 4.86e-60 . . . . 17212 1 6 no GB AAA18404 . "RAP1 protein [Saccharomyces cerevisiae]" . . . . . 92.45 827 98.98 98.98 5.05e-60 . . . . 17212 1 7 no GB AHY76889 . "Rap1p [Saccharomyces cerevisiae YJM993]" . . . . . 92.45 827 98.98 98.98 6.15e-60 . . . . 17212 1 8 no GB AJP41127 . "Rap1p [Saccharomyces cerevisiae YJM1078]" . . . . . 92.45 827 98.98 98.98 5.05e-60 . . . . 17212 1 9 no GB AJT01564 . "Rap1p [Saccharomyces cerevisiae YJM189]" . . . . . 92.45 827 98.98 98.98 5.05e-60 . . . . 17212 1 10 no GB AJT01934 . "Rap1p [Saccharomyces cerevisiae YJM193]" . . . . . 92.45 827 98.98 98.98 5.05e-60 . . . . 17212 1 11 no REF NP_014183 . "DNA-binding transcription factor RAP1 [Saccharomyces cerevisiae S288c]" . . . . . 92.45 827 98.98 98.98 4.86e-60 . . . . 17212 1 12 no SP P11938 . "RecName: Full=DNA-binding protein RAP1; AltName: Full=Repressor/activator site-binding protein; AltName: Full=SBF-E; AltName: F" . . . . . 92.45 827 98.98 98.98 4.86e-60 . . . . 17212 1 13 no TPG DAA10340 . "TPA: DNA-binding transcription factor RAP1 [Saccharomyces cerevisiae S288c]" . . . . . 92.45 827 98.98 98.98 4.86e-60 . . . . 17212 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 . 17212 1 2 . GLU . 17212 1 3 . LYS . 17212 1 4 . LYS . 17212 1 5 . GLU . 17212 1 6 . GLN . 17212 1 7 . VAL . 17212 1 8 . SER . 17212 1 9 . GLY . 17212 1 10 . PRO . 17212 1 11 . PRO . 17212 1 12 . LEU . 17212 1 13 . SER . 17212 1 14 . ASN . 17212 1 15 . MET . 17212 1 16 . LYS . 17212 1 17 . PHE . 17212 1 18 . TYR . 17212 1 19 . LEU . 17212 1 20 . ASN . 17212 1 21 . ARG . 17212 1 22 . ASP . 17212 1 23 . ALA . 17212 1 24 . ASP . 17212 1 25 . ALA . 17212 1 26 . HIS . 17212 1 27 . ASP . 17212 1 28 . SER . 17212 1 29 . LEU . 17212 1 30 . ASN . 17212 1 31 . ASP . 17212 1 32 . ILE . 17212 1 33 . ASP . 17212 1 34 . GLN . 17212 1 35 . LEU . 17212 1 36 . ALA . 17212 1 37 . ARG . 17212 1 38 . LEU . 17212 1 39 . ILE . 17212 1 40 . ARG . 17212 1 41 . ALA . 17212 1 42 . ASN . 17212 1 43 . GLY . 17212 1 44 . GLY . 17212 1 45 . GLU . 17212 1 46 . VAL . 17212 1 47 . LEU . 17212 1 48 . ASP . 17212 1 49 . SER . 17212 1 50 . LYS . 17212 1 51 . PRO . 17212 1 52 . ARG . 17212 1 53 . GLU . 17212 1 54 . SER . 17212 1 55 . LYS . 17212 1 56 . GLU . 17212 1 57 . ASN . 17212 1 58 . VAL . 17212 1 59 . PHE . 17212 1 60 . ILE . 17212 1 61 . VAL . 17212 1 62 . SER . 17212 1 63 . PRO . 17212 1 64 . TYR . 17212 1 65 . ASN . 17212 1 66 . HIS . 17212 1 67 . THR . 17212 1 68 . ASN . 17212 1 69 . LEU . 17212 1 70 . PRO . 17212 1 71 . THR . 17212 1 72 . VAL . 17212 1 73 . THR . 17212 1 74 . PRO . 17212 1 75 . THR . 17212 1 76 . TYR . 17212 1 77 . ILE . 17212 1 78 . LYS . 17212 1 79 . ALA . 17212 1 80 . CYS . 17212 1 81 . CYS . 17212 1 82 . GLN . 17212 1 83 . SER . 17212 1 84 . ASN . 17212 1 85 . SER . 17212 1 86 . LEU . 17212 1 87 . LEU . 17212 1 88 . ASN . 17212 1 89 . MET . 17212 1 90 . GLU . 17212 1 91 . ASN . 17212 1 92 . TYR . 17212 1 93 . LEU . 17212 1 94 . VAL . 17212 1 95 . PRO . 17212 1 96 . TYR . 17212 1 97 . ASP . 17212 1 98 . ASN . 17212 1 99 . LEU . 17212 1 100 . GLU . 17212 1 101 . HIS . 17212 1 102 . HIS . 17212 1 103 . HIS . 17212 1 104 . HIS . 17212 1 105 . HIS . 17212 1 106 . HIS . 17212 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 17212 1 . GLU 2 2 17212 1 . LYS 3 3 17212 1 . LYS 4 4 17212 1 . GLU 5 5 17212 1 . GLN 6 6 17212 1 . VAL 7 7 17212 1 . SER 8 8 17212 1 . GLY 9 9 17212 1 . PRO 10 10 17212 1 . PRO 11 11 17212 1 . LEU 12 12 17212 1 . SER 13 13 17212 1 . ASN 14 14 17212 1 . MET 15 15 17212 1 . LYS 16 16 17212 1 . PHE 17 17 17212 1 . TYR 18 18 17212 1 . LEU 19 19 17212 1 . ASN 20 20 17212 1 . ARG 21 21 17212 1 . ASP 22 22 17212 1 . ALA 23 23 17212 1 . ASP 24 24 17212 1 . ALA 25 25 17212 1 . HIS 26 26 17212 1 . ASP 27 27 17212 1 . SER 28 28 17212 1 . LEU 29 29 17212 1 . ASN 30 30 17212 1 . ASP 31 31 17212 1 . ILE 32 32 17212 1 . ASP 33 33 17212 1 . GLN 34 34 17212 1 . LEU 35 35 17212 1 . ALA 36 36 17212 1 . ARG 37 37 17212 1 . LEU 38 38 17212 1 . ILE 39 39 17212 1 . ARG 40 40 17212 1 . ALA 41 41 17212 1 . ASN 42 42 17212 1 . GLY 43 43 17212 1 . GLY 44 44 17212 1 . GLU 45 45 17212 1 . VAL 46 46 17212 1 . LEU 47 47 17212 1 . ASP 48 48 17212 1 . SER 49 49 17212 1 . LYS 50 50 17212 1 . PRO 51 51 17212 1 . ARG 52 52 17212 1 . GLU 53 53 17212 1 . SER 54 54 17212 1 . LYS 55 55 17212 1 . GLU 56 56 17212 1 . ASN 57 57 17212 1 . VAL 58 58 17212 1 . PHE 59 59 17212 1 . ILE 60 60 17212 1 . VAL 61 61 17212 1 . SER 62 62 17212 1 . PRO 63 63 17212 1 . TYR 64 64 17212 1 . ASN 65 65 17212 1 . HIS 66 66 17212 1 . THR 67 67 17212 1 . ASN 68 68 17212 1 . LEU 69 69 17212 1 . PRO 70 70 17212 1 . THR 71 71 17212 1 . VAL 72 72 17212 1 . THR 73 73 17212 1 . PRO 74 74 17212 1 . THR 75 75 17212 1 . TYR 76 76 17212 1 . ILE 77 77 17212 1 . LYS 78 78 17212 1 . ALA 79 79 17212 1 . CYS 80 80 17212 1 . CYS 81 81 17212 1 . GLN 82 82 17212 1 . SER 83 83 17212 1 . ASN 84 84 17212 1 . SER 85 85 17212 1 . LEU 86 86 17212 1 . LEU 87 87 17212 1 . ASN 88 88 17212 1 . MET 89 89 17212 1 . GLU 90 90 17212 1 . ASN 91 91 17212 1 . TYR 92 92 17212 1 . LEU 93 93 17212 1 . VAL 94 94 17212 1 . PRO 95 95 17212 1 . TYR 96 96 17212 1 . ASP 97 97 17212 1 . ASN 98 98 17212 1 . LEU 99 99 17212 1 . GLU 100 100 17212 1 . HIS 101 101 17212 1 . HIS 102 102 17212 1 . HIS 103 103 17212 1 . HIS 104 104 17212 1 . HIS 105 105 17212 1 . HIS 106 106 17212 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 17212 _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 $Rap1_BRCT_domain . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17212 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 17212 _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 $Rap1_BRCT_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet22 . . . . . . 17212 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17212 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17212 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17212 1 3 'Rap1 BRCT domain' 'natural abundance' . . 1 $Rap1_BRCT_domain . . 0.8 . . mM . . . . 17212 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17212 _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' 0.12 . M 17212 1 pH 6.5 . pH 17212 1 pressure 1 . atm 17212 1 temperature 298 . K 17212 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17212 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17212 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17212 1 collection 17212 1 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 17212 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17212 _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 DMX . 500 . . . 17212 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 17212 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17212 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 17212 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17212 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17212 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17212 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 17212 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 17212 _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 2 '3D CBCA(CO)NH' . . . 17212 1 3 '3D C(CO)NH' . . . 17212 1 4 '3D HNCO' . . . 17212 1 5 '3D HNCACB' . . . 17212 1 6 '3D HBHA(CO)NH' . . . 17212 1 7 '3D H(CCO)NH' . . . 17212 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 2 2 GLU C C 13 175.917 0.1 . 1 . . . . 1 GLU C . 17212 1 2 . 1 1 2 2 GLU CA C 13 56.291 0.1 . 1 . . . . 1 GLU CA . 17212 1 3 . 1 1 2 2 GLU CB C 13 30.247 0.1 . 1 . . . . 1 GLU CB . 17212 1 4 . 1 1 2 2 GLU N N 15 125.329 0.01 . 1 . . . . 1 GLU N . 17212 1 5 . 1 1 3 3 LYS H H 1 8.534 0.01 . . . . . . 2 LYS NH . 17212 1 6 . 1 1 3 3 LYS HA H 1 4.297 0.01 . 1 . . . . 2 LYS HA . 17212 1 7 . 1 1 3 3 LYS HB2 H 1 1.571 0.01 . 2 . . . . 2 LYS HB2 . 17212 1 8 . 1 1 3 3 LYS HB3 H 1 1.571 0.01 . 2 . . . . 2 LYS HB3 . 17212 1 9 . 1 1 3 3 LYS C C 13 176.262 0.1 . 1 . . . . 2 LYS C . 17212 1 10 . 1 1 3 3 LYS CA C 13 56.295 0.01 . 1 . . . . 2 LYS CA . 17212 1 11 . 1 1 3 3 LYS CB C 13 32.902 0.01 . 1 . . . . 2 LYS CB . 17212 1 12 . 1 1 3 3 LYS N N 15 123.729 0.01 . 1 . . . . 2 LYS N . 17212 1 13 . 1 1 4 4 LYS H H 1 8.461 0.01 . . . . . . 3 LYS NH . 17212 1 14 . 1 1 4 4 LYS HA H 1 4.353 0.01 . 1 . . . . 3 LYS HA . 17212 1 15 . 1 1 4 4 LYS C C 13 176.412 0.1 . 1 . . . . 3 LYS C . 17212 1 16 . 1 1 4 4 LYS CA C 13 56.148 0.1 . 1 . . . . 3 LYS CA . 17212 1 17 . 1 1 4 4 LYS CB C 13 32.945 0.1 . 1 . . . . 3 LYS CB . 17212 1 18 . 1 1 4 4 LYS N N 15 123.671 0.01 . 1 . . . . 3 LYS N . 17212 1 19 . 1 1 5 5 GLU H H 1 8.494 0.01 . . . . . . 4 GLU NH . 17212 1 20 . 1 1 5 5 GLU C C 13 176.262 0.1 . 1 . . . . 4 GLU C . 17212 1 21 . 1 1 5 5 GLU CA C 13 56.398 0.1 . 1 . . . . 4 GLU CA . 17212 1 22 . 1 1 5 5 GLU CB C 13 30.157 0.1 . 1 . . . . 4 GLU CB . 17212 1 23 . 1 1 5 5 GLU N N 15 122.488 0.01 . 1 . . . . 4 GLU N . 17212 1 24 . 1 1 6 6 GLN H H 1 8.441 0.01 . . . . . . 5 GLN NH . 17212 1 25 . 1 1 6 6 GLN HA H 1 4.378 0.01 . 1 . . . . 5 GLN HA . 17212 1 26 . 1 1 6 6 GLN HB2 H 1 2.052 0.01 . 2 . . . . 5 GLN HB2 . 17212 1 27 . 1 1 6 6 GLN HB3 H 1 2.052 0.01 . 2 . . . . 5 GLN HB3 . 17212 1 28 . 1 1 6 6 GLN C C 13 175.780 0.1 . 1 . . . . 5 GLN C . 17212 1 29 . 1 1 6 6 GLN CA C 13 55.673 0.1 . 1 . . . . 5 GLN CA . 17212 1 30 . 1 1 6 6 GLN CB C 13 29.445 0.1 . 1 . . . . 5 GLN CB . 17212 1 31 . 1 1 6 6 GLN N N 15 121.929 0.01 . 1 . . . . 5 GLN N . 17212 1 32 . 1 1 7 7 VAL H H 1 8.308 0.01 . . . . . . 6 VAL NH . 17212 1 33 . 1 1 7 7 VAL HA H 1 4.217 0.01 . 1 . . . . 6 VAL HA . 17212 1 34 . 1 1 7 7 VAL HB H 1 2.108 0.01 . 1 . . . . 6 VAL HB . 17212 1 35 . 1 1 7 7 VAL HG11 H 1 0.968 0.01 . 2 . . . . 6 VAL HG1 . 17212 1 36 . 1 1 7 7 VAL HG12 H 1 0.968 0.01 . 2 . . . . 6 VAL HG1 . 17212 1 37 . 1 1 7 7 VAL HG13 H 1 0.968 0.01 . 2 . . . . 6 VAL HG1 . 17212 1 38 . 1 1 7 7 VAL HG21 H 1 0.968 0.01 . 2 . . . . 6 VAL HG2 . 17212 1 39 . 1 1 7 7 VAL HG22 H 1 0.968 0.01 . 2 . . . . 6 VAL HG2 . 17212 1 40 . 1 1 7 7 VAL HG23 H 1 0.968 0.01 . 2 . . . . 6 VAL HG2 . 17212 1 41 . 1 1 7 7 VAL C C 13 176.089 0.1 . 1 . . . . 6 VAL C . 17212 1 42 . 1 1 7 7 VAL CA C 13 62.039 0.1 . 1 . . . . 6 VAL CA . 17212 1 43 . 1 1 7 7 VAL CB C 13 32.810 0.1 . 1 . . . . 6 VAL CB . 17212 1 44 . 1 1 7 7 VAL CG1 C 13 20.995 0.1 . 2 . . . . 6 VAL CG1 . 17212 1 45 . 1 1 7 7 VAL CG2 C 13 20.995 0.1 . 2 . . . . 6 VAL CG2 . 17212 1 46 . 1 1 7 7 VAL N N 15 122.211 0.01 . 1 . . . . 6 VAL N . 17212 1 47 . 1 1 8 8 SER H H 1 8.476 0.01 . 1 . . . . 7 SER HN . 17212 1 48 . 1 1 8 8 SER HA H 1 4.550 0.01 . 1 . . . . 7 SER HA . 17212 1 49 . 1 1 8 8 SER HB2 H 1 3.907 0.01 . 2 . . . . 7 SER HB2 . 17212 1 50 . 1 1 8 8 SER HB3 H 1 3.907 0.01 . 2 . . . . 7 SER HB3 . 17212 1 51 . 1 1 8 8 SER CA C 13 58.182 0.1 . 1 . . . . 7 SER CA . 17212 1 52 . 1 1 8 8 SER CB C 13 64.034 0.1 . 1 . . . . 7 SER CB . 17212 1 53 . 1 1 8 8 SER N N 15 120.015 0.01 . 1 . . . . 7 SER N . 17212 1 54 . 1 1 9 9 GLY H H 1 8.226 0.01 . 1 . . . . 8 GLY HN . 17212 1 55 . 1 1 9 9 GLY CA C 13 45.000 0.1 . 1 . . . . 8 GLY CA . 17212 1 56 . 1 1 9 9 GLY N N 15 111.279 0.01 . 1 . . . . 8 GLY N . 17212 1 57 . 1 1 11 11 PRO HA H 1 4.327 0.01 . 1 . . . . 10 PRO HA . 17212 1 58 . 1 1 11 11 PRO HB2 H 1 1.972 0.01 . 2 . . . . 10 PRO HB2 . 17212 1 59 . 1 1 11 11 PRO HB3 H 1 1.521 0.01 . 2 . . . . 10 PRO HB3 . 17212 1 60 . 1 1 11 11 PRO HD2 H 1 3.856 0.01 . 2 . . . . 10 PRO HD2 . 17212 1 61 . 1 1 11 11 PRO HD3 H 1 3.856 0.01 . 2 . . . . 10 PRO HD3 . 17212 1 62 . 1 1 11 11 PRO C C 13 176.474 0.1 . 1 . . . . 10 PRO C . 17212 1 63 . 1 1 11 11 PRO CA C 13 65.496 0.1 . 1 . . . . 10 PRO CA . 17212 1 64 . 1 1 11 11 PRO CB C 13 32.346 0.1 . 1 . . . . 10 PRO CB . 17212 1 65 . 1 1 11 11 PRO CD C 13 50.686 0.1 . 1 . . . . 10 PRO CD . 17212 1 66 . 1 1 11 11 PRO CG C 13 28.017 0.1 . 1 . . . . 10 PRO CG . 17212 1 67 . 1 1 12 12 LEU H H 1 7.762 0.01 . 1 . . . . 11 LEU HN . 17212 1 68 . 1 1 12 12 LEU HA H 1 4.837 0.01 . 1 . . . . 11 LEU HA . 17212 1 69 . 1 1 12 12 LEU HB2 H 1 1.810 0.01 . 2 . . . . 11 LEU HB2 . 17212 1 70 . 1 1 12 12 LEU HB3 H 1 1.546 0.01 . 2 . . . . 11 LEU HB3 . 17212 1 71 . 1 1 12 12 LEU HD11 H 1 0.740 0.01 . 2 . . . . 11 LEU HD1 . 17212 1 72 . 1 1 12 12 LEU HD12 H 1 0.740 0.01 . 2 . . . . 11 LEU HD1 . 17212 1 73 . 1 1 12 12 LEU HD13 H 1 0.740 0.01 . 2 . . . . 11 LEU HD1 . 17212 1 74 . 1 1 12 12 LEU HD21 H 1 0.685 0.01 . 2 . . . . 11 LEU HD2 . 17212 1 75 . 1 1 12 12 LEU HD22 H 1 0.685 0.01 . 2 . . . . 11 LEU HD2 . 17212 1 76 . 1 1 12 12 LEU HD23 H 1 0.685 0.01 . 2 . . . . 11 LEU HD2 . 17212 1 77 . 1 1 12 12 LEU HG H 1 1.414 0.01 . 1 . . . . 11 LEU HG . 17212 1 78 . 1 1 12 12 LEU C C 13 174.839 0.1 . 1 . . . . 11 LEU C . 17212 1 79 . 1 1 12 12 LEU CA C 13 52.828 0.1 . 1 . . . . 11 LEU CA . 17212 1 80 . 1 1 12 12 LEU CB C 13 39.499 0.1 . 1 . . . . 11 LEU CB . 17212 1 81 . 1 1 12 12 LEU CD1 C 13 22.052 0.1 . 2 . . . . 11 LEU CD1 . 17212 1 82 . 1 1 12 12 LEU CD2 C 13 22.052 0.1 . 2 . . . . 11 LEU CD2 . 17212 1 83 . 1 1 12 12 LEU CG C 13 27.325 0.1 . 1 . . . . 11 LEU CG . 17212 1 84 . 1 1 12 12 LEU N N 15 112.727 0.01 . 1 . . . . 11 LEU N . 17212 1 85 . 1 1 13 13 SER H H 1 7.047 0.01 . 1 . . . . 12 SER HN . 17212 1 86 . 1 1 13 13 SER HA H 1 4.224 0.01 . 1 . . . . 12 SER HA . 17212 1 87 . 1 1 13 13 SER HB2 H 1 3.823 0.01 . 2 . . . . 12 SER HB2 . 17212 1 88 . 1 1 13 13 SER HB3 H 1 3.823 0.01 . 2 . . . . 12 SER HB3 . 17212 1 89 . 1 1 13 13 SER C C 13 174.666 0.1 . 1 . . . . 12 SER C . 17212 1 90 . 1 1 13 13 SER CA C 13 60.435 0.1 . 1 . . . . 12 SER CA . 17212 1 91 . 1 1 13 13 SER CB C 13 63.723 0.1 . 1 . . . . 12 SER CB . 17212 1 92 . 1 1 13 13 SER N N 15 112.150 0.01 . 1 . . . . 12 SER N . 17212 1 93 . 1 1 14 14 ASN H H 1 8.655 0.01 . 1 . . . . 13 ASN HN . 17212 1 94 . 1 1 14 14 ASN HA H 1 4.361 0.01 . 1 . . . . 13 ASN HA . 17212 1 95 . 1 1 14 14 ASN HB2 H 1 3.065 0.01 . 2 . . . . 13 ASN HB2 . 17212 1 96 . 1 1 14 14 ASN HB3 H 1 3.065 0.01 . 2 . . . . 13 ASN HB3 . 17212 1 97 . 1 1 14 14 ASN C C 13 173.919 0.1 . 1 . . . . 13 ASN C . 17212 1 98 . 1 1 14 14 ASN CA C 13 55.605 0.1 . 1 . . . . 13 ASN CA . 17212 1 99 . 1 1 14 14 ASN CB C 13 37.804 0.1 . 1 . . . . 13 ASN CB . 17212 1 100 . 1 1 14 14 ASN N N 15 116.965 0.01 . 1 . . . . 13 ASN N . 17212 1 101 . 1 1 15 15 MET H H 1 7.981 0.01 . 1 . . . . 14 MET HN . 17212 1 102 . 1 1 15 15 MET HA H 1 4.906 0.01 . 1 . . . . 14 MET HA . 17212 1 103 . 1 1 15 15 MET HG2 H 1 2.547 0.01 . 2 . . . . 14 MET HG2 . 17212 1 104 . 1 1 15 15 MET HG3 H 1 2.547 0.01 . 2 . . . . 14 MET HG3 . 17212 1 105 . 1 1 15 15 MET C C 13 175.253 0.1 . 1 . . . . 14 MET C . 17212 1 106 . 1 1 15 15 MET CA C 13 55.343 0.1 . 1 . . . . 14 MET CA . 17212 1 107 . 1 1 15 15 MET CB C 13 36.401 0.1 . 1 . . . . 14 MET CB . 17212 1 108 . 1 1 15 15 MET N N 15 117.698 0.01 . 1 . . . . 14 MET N . 17212 1 109 . 1 1 16 16 LYS H H 1 8.445 0.01 . 1 . . . . 15 LYS HN . 17212 1 110 . 1 1 16 16 LYS HA H 1 5.221 0.01 . 1 . . . . 15 LYS HA . 17212 1 111 . 1 1 16 16 LYS HB2 H 1 1.806 0.01 . 2 . . . . 15 LYS HB2 . 17212 1 112 . 1 1 16 16 LYS HB3 H 1 1.615 0.01 . 2 . . . . 15 LYS HB3 . 17212 1 113 . 1 1 16 16 LYS HD2 H 1 2.236 0.01 . 2 . . . . 15 LYS HD2 . 17212 1 114 . 1 1 16 16 LYS HE2 H 1 2.875 0.01 . 2 . . . . 15 LYS HE2 . 17212 1 115 . 1 1 16 16 LYS HE3 H 1 2.875 0.01 . 2 . . . . 15 LYS HE3 . 17212 1 116 . 1 1 16 16 LYS HG2 H 1 1.360 0.01 . 2 . . . . 15 LYS HG2 . 17212 1 117 . 1 1 16 16 LYS HG3 H 1 1.360 0.01 . 2 . . . . 15 LYS HG3 . 17212 1 118 . 1 1 16 16 LYS C C 13 174.340 0.1 . 1 . . . . 15 LYS C . 17212 1 119 . 1 1 16 16 LYS CA C 13 54.551 0.1 . 1 . . . . 15 LYS CA . 17212 1 120 . 1 1 16 16 LYS CB C 13 34.441 0.1 . 1 . . . . 15 LYS CB . 17212 1 121 . 1 1 16 16 LYS CD C 13 29.419 0.1 . 1 . . . . 15 LYS CD . 17212 1 122 . 1 1 16 16 LYS CE C 13 42.124 0.1 . 1 . . . . 15 LYS CE . 17212 1 123 . 1 1 16 16 LYS CG C 13 25.309 0.1 . 1 . . . . 15 LYS CG . 17212 1 124 . 1 1 16 16 LYS N N 15 121.352 0.01 . 1 . . . . 15 LYS N . 17212 1 125 . 1 1 17 17 PHE H H 1 8.887 0.01 . 1 . . . . 16 PHE HN . 17212 1 126 . 1 1 17 17 PHE HA H 1 5.970 0.01 . 1 . . . . 16 PHE HA . 17212 1 127 . 1 1 17 17 PHE HB2 H 1 2.915 0.01 . 2 . . . . 16 PHE HB2 . 17212 1 128 . 1 1 17 17 PHE HB3 H 1 2.691 0.01 . 2 . . . . 16 PHE HB3 . 17212 1 129 . 1 1 17 17 PHE C C 13 174.832 0.1 . 1 . . . . 16 PHE C . 17212 1 130 . 1 1 17 17 PHE CA C 13 56.109 0.1 . 1 . . . . 16 PHE CA . 17212 1 131 . 1 1 17 17 PHE CB C 13 43.461 0.1 . 1 . . . . 16 PHE CB . 17212 1 132 . 1 1 17 17 PHE N N 15 117.043 0.01 . 1 . . . . 16 PHE N . 17212 1 133 . 1 1 18 18 TYR H H 1 9.122 0.01 . 1 . . . . 17 TYR HN . 17212 1 134 . 1 1 18 18 TYR HA H 1 5.003 0.01 . 1 . . . . 17 TYR HA . 17212 1 135 . 1 1 18 18 TYR HB2 H 1 2.865 0.01 . 2 . . . . 17 TYR HB2 . 17212 1 136 . 1 1 18 18 TYR HB3 H 1 2.724 0.01 . 2 . . . . 17 TYR HB3 . 17212 1 137 . 1 1 18 18 TYR C C 13 173.587 0.1 . 1 . . . . 17 TYR C . 17212 1 138 . 1 1 18 18 TYR CA C 13 56.144 0.1 . 1 . . . . 17 TYR CA . 17212 1 139 . 1 1 18 18 TYR CB C 13 40.758 0.1 . 1 . . . . 17 TYR CB . 17212 1 140 . 1 1 18 18 TYR N N 15 122.875 0.01 . 1 . . . . 17 TYR N . 17212 1 141 . 1 1 19 19 LEU H H 1 8.774 0.01 . 1 . . . . 18 LEU HN . 17212 1 142 . 1 1 19 19 LEU HA H 1 4.361 0.01 . 1 . . . . 18 LEU HA . 17212 1 143 . 1 1 19 19 LEU HB2 H 1 1.543 0.01 . 2 . . . . 18 LEU HB2 . 17212 1 144 . 1 1 19 19 LEU HB3 H 1 1.543 0.01 . 2 . . . . 18 LEU HB3 . 17212 1 145 . 1 1 19 19 LEU HD11 H 1 0.733 0.01 . 2 . . . . 18 LEU HD1 . 17212 1 146 . 1 1 19 19 LEU HD12 H 1 0.733 0.01 . 2 . . . . 18 LEU HD1 . 17212 1 147 . 1 1 19 19 LEU HD13 H 1 0.733 0.01 . 2 . . . . 18 LEU HD1 . 17212 1 148 . 1 1 19 19 LEU HD21 H 1 0.733 0.01 . 2 . . . . 18 LEU HD2 . 17212 1 149 . 1 1 19 19 LEU HD22 H 1 0.733 0.01 . 2 . . . . 18 LEU HD2 . 17212 1 150 . 1 1 19 19 LEU HD23 H 1 0.733 0.01 . 2 . . . . 18 LEU HD2 . 17212 1 151 . 1 1 19 19 LEU HG H 1 1.363 0.01 . 1 . . . . 18 LEU HG . 17212 1 152 . 1 1 19 19 LEU C C 13 177.179 0.1 . 1 . . . . 18 LEU C . 17212 1 153 . 1 1 19 19 LEU CA C 13 54.463 0.1 . 1 . . . . 18 LEU CA . 17212 1 154 . 1 1 19 19 LEU CB C 13 41.864 0.1 . 1 . . . . 18 LEU CB . 17212 1 155 . 1 1 19 19 LEU CD1 C 13 25.285 0.1 . 2 . . . . 18 LEU CD1 . 17212 1 156 . 1 1 19 19 LEU CD2 C 13 22.870 0.1 . 2 . . . . 18 LEU CD2 . 17212 1 157 . 1 1 19 19 LEU CG C 13 26.927 0.1 . 1 . . . . 18 LEU CG . 17212 1 158 . 1 1 19 19 LEU N N 15 128.737 0.01 . 1 . . . . 18 LEU N . 17212 1 159 . 1 1 20 20 ASN H H 1 8.781 0.01 . 1 . . . . 19 ASN HN . 17212 1 160 . 1 1 20 20 ASN HA H 1 4.589 0.01 . 1 . . . . 19 ASN HA . 17212 1 161 . 1 1 20 20 ASN HB2 H 1 2.943 0.01 . 2 . . . . 19 ASN HB2 . 17212 1 162 . 1 1 20 20 ASN HB3 H 1 2.943 0.01 . 2 . . . . 19 ASN HB3 . 17212 1 163 . 1 1 20 20 ASN HD21 H 1 7.812 0.01 . 2 . . . . 19 ASN HD21 . 17212 1 164 . 1 1 20 20 ASN HD22 H 1 7.812 0.01 . 2 . . . . 19 ASN HD22 . 17212 1 165 . 1 1 20 20 ASN C C 13 177.200 0.1 . 1 . . . . 19 ASN C . 17212 1 166 . 1 1 20 20 ASN CA C 13 54.416 0.1 . 1 . . . . 19 ASN CA . 17212 1 167 . 1 1 20 20 ASN CB C 13 38.127 0.1 . 1 . . . . 19 ASN CB . 17212 1 168 . 1 1 20 20 ASN N N 15 121.500 0.01 . 1 . . . . 19 ASN N . 17212 1 169 . 1 1 21 21 ARG H H 1 8.817 0.01 . 1 . . . . 20 ARG HN . 17212 1 170 . 1 1 21 21 ARG C C 13 177.411 0.1 . 1 . . . . 20 ARG C . 17212 1 171 . 1 1 21 21 ARG CA C 13 56.911 0.1 . 1 . . . . 20 ARG CA . 17212 1 172 . 1 1 21 21 ARG CB C 13 31.355 0.1 . 1 . . . . 20 ARG CB . 17212 1 173 . 1 1 21 21 ARG N N 15 125.142 0.01 . 1 . . . . 20 ARG N . 17212 1 174 . 1 1 22 22 ASP H H 1 8.270 0.01 . 1 . . . . 21 ASP HN . 17212 1 175 . 1 1 22 22 ASP HA H 1 4.630 0.01 . 1 . . . . 21 ASP HA . 17212 1 176 . 1 1 22 22 ASP HB2 H 1 2.841 0.01 . 2 . . . . 21 ASP HB2 . 17212 1 177 . 1 1 22 22 ASP HB3 H 1 2.040 0.01 . 2 . . . . 21 ASP HB3 . 17212 1 178 . 1 1 22 22 ASP CA C 13 54.556 0.1 . 1 . . . . 21 ASP CA . 17212 1 179 . 1 1 22 22 ASP CB C 13 41.017 0.1 . 1 . . . . 21 ASP CB . 17212 1 180 . 1 1 22 22 ASP N N 15 121.987 0.01 . 1 . . . . 21 ASP N . 17212 1 181 . 1 1 23 23 ALA H H 1 8.524 0.01 . 1 . . . . 22 ALA HN . 17212 1 182 . 1 1 23 23 ALA HA H 1 4.208 0.01 . 1 . . . . 22 ALA HA . 17212 1 183 . 1 1 23 23 ALA HB1 H 1 1.463 0.01 . 1 . . . . 22 ALA HB . 17212 1 184 . 1 1 23 23 ALA HB2 H 1 1.463 0.01 . 1 . . . . 22 ALA HB . 17212 1 185 . 1 1 23 23 ALA HB3 H 1 1.463 0.01 . 1 . . . . 22 ALA HB . 17212 1 186 . 1 1 23 23 ALA C C 13 178.186 0.1 . 1 . . . . 22 ALA C . 17212 1 187 . 1 1 23 23 ALA CA C 13 53.993 0.1 . 1 . . . . 22 ALA CA . 17212 1 188 . 1 1 23 23 ALA CB C 13 18.996 0.1 . 1 . . . . 22 ALA CB . 17212 1 189 . 1 1 23 23 ALA N N 15 124.778 0.01 . 1 . . . . 22 ALA N . 17212 1 190 . 1 1 24 24 ASP H H 1 8.345 0.01 . 1 . . . . 23 ASP HN . 17212 1 191 . 1 1 24 24 ASP HA H 1 4.578 0.01 . 1 . . . . 23 ASP HA . 17212 1 192 . 1 1 24 24 ASP HB2 H 1 2.760 0.01 . 2 . . . . 23 ASP HB2 . 17212 1 193 . 1 1 24 24 ASP HB3 H 1 2.760 0.01 . 2 . . . . 23 ASP HB3 . 17212 1 194 . 1 1 24 24 ASP C C 13 176.202 0.1 . 1 . . . . 23 ASP C . 17212 1 195 . 1 1 24 24 ASP CA C 13 50.960 0.1 . 1 . . . . 23 ASP CA . 17212 1 196 . 1 1 24 24 ASP CB C 13 38.411 0.1 . 1 . . . . 23 ASP CB . 17212 1 197 . 1 1 24 24 ASP N N 15 116.909 0.01 . 1 . . . . 23 ASP N . 17212 1 198 . 1 1 25 25 ALA H H 1 7.906 0.01 . 1 . . . . 24 ALA HN . 17212 1 199 . 1 1 25 25 ALA HA H 1 4.400 0.01 . 1 . . . . 24 ALA HA . 17212 1 200 . 1 1 25 25 ALA HB1 H 1 1.404 0.01 . 1 . . . . 24 ALA HB . 17212 1 201 . 1 1 25 25 ALA HB2 H 1 1.404 0.01 . 1 . . . . 24 ALA HB . 17212 1 202 . 1 1 25 25 ALA HB3 H 1 1.404 0.01 . 1 . . . . 24 ALA HB . 17212 1 203 . 1 1 25 25 ALA C C 13 177.351 0.1 . 1 . . . . 24 ALA C . 17212 1 204 . 1 1 25 25 ALA CA C 13 52.246 0.1 . 1 . . . . 24 ALA CA . 17212 1 205 . 1 1 25 25 ALA CB C 13 19.372 0.1 . 1 . . . . 24 ALA CB . 17212 1 206 . 1 1 25 25 ALA N N 15 122.577 0.01 . 1 . . . . 24 ALA N . 17212 1 207 . 1 1 26 26 HIS H H 1 8.153 0.01 . 1 . . . . 25 HIS HN . 17212 1 208 . 1 1 26 26 HIS HA H 1 4.576 0.01 . 1 . . . . 25 HIS HA . 17212 1 209 . 1 1 26 26 HIS HB2 H 1 3.252 0.01 . 2 . . . . 25 HIS HB2 . 17212 1 210 . 1 1 26 26 HIS HB3 H 1 3.041 0.01 . 2 . . . . 25 HIS HB3 . 17212 1 211 . 1 1 26 26 HIS C C 13 175.129 0.1 . 1 . . . . 25 HIS C . 17212 1 212 . 1 1 26 26 HIS CA C 13 56.862 0.1 . 1 . . . . 25 HIS CA . 17212 1 213 . 1 1 26 26 HIS CB C 13 30.086 0.1 . 1 . . . . 25 HIS CB . 17212 1 214 . 1 1 26 26 HIS N N 15 117.581 0.01 . 1 . . . . 25 HIS N . 17212 1 215 . 1 1 27 27 ASP H H 1 8.393 0.01 . 1 . . . . 26 ASP HN . 17212 1 216 . 1 1 27 27 ASP HA H 1 4.628 0.01 . 1 . . . . 26 ASP HA . 17212 1 217 . 1 1 27 27 ASP HB2 H 1 2.732 0.01 . 2 . . . . 26 ASP HB2 . 17212 1 218 . 1 1 27 27 ASP HB3 H 1 2.732 0.01 . 2 . . . . 26 ASP HB3 . 17212 1 219 . 1 1 27 27 ASP C C 13 176.465 0.1 . 1 . . . . 26 ASP C . 17212 1 220 . 1 1 27 27 ASP CA C 13 54.641 0.1 . 1 . . . . 26 ASP CA . 17212 1 221 . 1 1 27 27 ASP CB C 13 41.211 0.1 . 1 . . . . 26 ASP CB . 17212 1 222 . 1 1 27 27 ASP N N 15 120.079 0.01 . 1 . . . . 26 ASP N . 17212 1 223 . 1 1 28 28 SER H H 1 8.281 0.01 . 1 . . . . 27 SER HN . 17212 1 224 . 1 1 28 28 SER HA H 1 4.436 0.01 . 1 . . . . 27 SER HA . 17212 1 225 . 1 1 28 28 SER HB2 H 1 3.966 0.01 . 2 . . . . 27 SER HB2 . 17212 1 226 . 1 1 28 28 SER HB3 H 1 3.966 0.01 . 2 . . . . 27 SER HB3 . 17212 1 227 . 1 1 28 28 SER C C 13 175.209 0.1 . 1 . . . . 27 SER C . 17212 1 228 . 1 1 28 28 SER CA C 13 58.934 0.1 . 1 . . . . 27 SER CA . 17212 1 229 . 1 1 28 28 SER CB C 13 63.935 0.1 . 1 . . . . 27 SER CB . 17212 1 230 . 1 1 28 28 SER N N 15 115.765 0.01 . 1 . . . . 27 SER N . 17212 1 231 . 1 1 29 29 LEU H H 1 8.347 0.01 . 1 . . . . 28 LEU HN . 17212 1 232 . 1 1 29 29 LEU HA H 1 4.479 0.01 . 1 . . . . 28 LEU HA . 17212 1 233 . 1 1 29 29 LEU HB2 H 1 2.967 0.01 . 2 . . . . 28 LEU HB2 . 17212 1 234 . 1 1 29 29 LEU HB3 H 1 2.621 0.01 . 2 . . . . 28 LEU HB3 . 17212 1 235 . 1 1 29 29 LEU HG H 1 1.710 0.01 . 1 . . . . 28 LEU HG . 17212 1 236 . 1 1 29 29 LEU CA C 13 55.553 0.1 . 1 . . . . 28 LEU CA . 17212 1 237 . 1 1 29 29 LEU CB C 13 40.784 0.1 . 1 . . . . 28 LEU CB . 17212 1 238 . 1 1 29 29 LEU N N 15 122.960 0.01 . 1 . . . . 28 LEU N . 17212 1 239 . 1 1 30 30 ASN H H 1 8.168 0.01 . 1 . . . . 29 ASN HN . 17212 1 240 . 1 1 30 30 ASN HA H 1 4.584 0.01 . 1 . . . . 29 ASN HA . 17212 1 241 . 1 1 30 30 ASN CA C 13 54.323 0.1 . 1 . . . . 29 ASN CA . 17212 1 242 . 1 1 30 30 ASN CB C 13 38.888 0.1 . 1 . . . . 29 ASN CB . 17212 1 243 . 1 1 30 30 ASN N N 15 125.114 0.01 . 1 . . . . 29 ASN N . 17212 1 244 . 1 1 31 31 ASP H H 1 7.787 0.01 . . . . . . 30 ASP NH . 17212 1 245 . 1 1 31 31 ASP HA H 1 4.560 0.01 . 1 . . . . 30 ASP HA . 17212 1 246 . 1 1 31 31 ASP HB2 H 1 2.755 0.01 . 2 . . . . 30 ASP HB2 . 17212 1 247 . 1 1 31 31 ASP HB3 H 1 2.755 0.01 . 2 . . . . 30 ASP HB3 . 17212 1 248 . 1 1 31 31 ASP C C 13 177.870 0.1 . 1 . . . . 30 ASP C . 17212 1 249 . 1 1 31 31 ASP CA C 13 55.144 0.1 . 1 . . . . 30 ASP CA . 17212 1 250 . 1 1 31 31 ASP CB C 13 40.699 0.1 . 1 . . . . 30 ASP CB . 17212 1 251 . 1 1 31 31 ASP N N 15 113.725 0.01 . 1 . . . . 30 ASP N . 17212 1 252 . 1 1 32 32 ILE H H 1 8.070 0.01 . 1 . . . . 31 ILE HN . 17212 1 253 . 1 1 32 32 ILE HA H 1 4.322 0.01 . 1 . . . . 31 ILE HA . 17212 1 254 . 1 1 32 32 ILE HB H 1 1.922 0.01 . 1 . . . . 31 ILE HB . 17212 1 255 . 1 1 32 32 ILE HG12 H 1 1.470 0.01 . 2 . . . . 31 ILE HG12 . 17212 1 256 . 1 1 32 32 ILE HG13 H 1 1.245 0.01 . 2 . . . . 31 ILE HG13 . 17212 1 257 . 1 1 32 32 ILE HG21 H 1 0.862 0.01 . 1 . . . . 31 ILE HG2 . 17212 1 258 . 1 1 32 32 ILE HG22 H 1 0.862 0.01 . 1 . . . . 31 ILE HG2 . 17212 1 259 . 1 1 32 32 ILE HG23 H 1 0.862 0.01 . 1 . . . . 31 ILE HG2 . 17212 1 260 . 1 1 32 32 ILE C C 13 177.048 0.1 . 1 . . . . 31 ILE C . 17212 1 261 . 1 1 32 32 ILE CA C 13 64.043 0.1 . 1 . . . . 31 ILE CA . 17212 1 262 . 1 1 32 32 ILE CB C 13 37.024 0.1 . 1 . . . . 31 ILE CB . 17212 1 263 . 1 1 32 32 ILE CD1 C 13 12.850 0.1 . 1 . . . . 31 ILE CD1 . 17212 1 264 . 1 1 32 32 ILE CG2 C 13 17.990 0.1 . 1 . . . . 31 ILE CG2 . 17212 1 265 . 1 1 32 32 ILE N N 15 122.607 0.01 . 1 . . . . 31 ILE N . 17212 1 266 . 1 1 33 33 ASP H H 1 8.155 0.01 . 1 . . . . 32 ASP HN . 17212 1 267 . 1 1 33 33 ASP HA H 1 4.446 0.01 . 1 . . . . 32 ASP HA . 17212 1 268 . 1 1 33 33 ASP HB2 H 1 2.757 0.01 . 2 . . . . 32 ASP HB2 . 17212 1 269 . 1 1 33 33 ASP HB3 H 1 2.651 0.01 . 2 . . . . 32 ASP HB3 . 17212 1 270 . 1 1 33 33 ASP C C 13 179.013 0.1 . 1 . . . . 32 ASP C . 17212 1 271 . 1 1 33 33 ASP CA C 13 57.471 0.1 . 1 . . . . 32 ASP CA . 17212 1 272 . 1 1 33 33 ASP CB C 13 40.526 0.1 . 1 . . . . 32 ASP CB . 17212 1 273 . 1 1 33 33 ASP N N 15 120.802 0.01 . 1 . . . . 32 ASP N . 17212 1 274 . 1 1 34 34 GLN H H 1 7.986 0.01 . 1 . . . . 33 GLN HN . 17212 1 275 . 1 1 34 34 GLN HA H 1 4.007 0.01 . 1 . . . . 33 GLN HA . 17212 1 276 . 1 1 34 34 GLN HB2 H 1 2.135 0.01 . 2 . . . . 33 GLN HB2 . 17212 1 277 . 1 1 34 34 GLN HB3 H 1 2.099 0.01 . 2 . . . . 33 GLN HB3 . 17212 1 278 . 1 1 34 34 GLN C C 13 178.605 0.1 . 1 . . . . 33 GLN C . 17212 1 279 . 1 1 34 34 GLN CA C 13 58.717 0.1 . 1 . . . . 33 GLN CA . 17212 1 280 . 1 1 34 34 GLN CB C 13 28.001 0.1 . 1 . . . . 33 GLN CB . 17212 1 281 . 1 1 34 34 GLN N N 15 119.399 0.01 . 1 . . . . 33 GLN N . 17212 1 282 . 1 1 35 35 LEU H H 1 7.986 0.01 . 1 . . . . 34 LEU HN . 17212 1 283 . 1 1 35 35 LEU HA H 1 3.964 0.01 . 1 . . . . 34 LEU HA . 17212 1 284 . 1 1 35 35 LEU HB2 H 1 1.848 0.01 . 2 . . . . 34 LEU HB2 . 17212 1 285 . 1 1 35 35 LEU HB3 H 1 1.644 0.11 . 2 . . . . 34 LEU HB3 . 17212 1 286 . 1 1 35 35 LEU HD11 H 1 0.868 0.01 . 2 . . . . 34 LEU HD1 . 17212 1 287 . 1 1 35 35 LEU HD12 H 1 0.868 0.01 . 2 . . . . 34 LEU HD1 . 17212 1 288 . 1 1 35 35 LEU HD13 H 1 0.868 0.01 . 2 . . . . 34 LEU HD1 . 17212 1 289 . 1 1 35 35 LEU HD21 H 1 0.868 0.01 . 2 . . . . 34 LEU HD2 . 17212 1 290 . 1 1 35 35 LEU HD22 H 1 0.868 0.01 . 2 . . . . 34 LEU HD2 . 17212 1 291 . 1 1 35 35 LEU HD23 H 1 0.868 0.01 . 2 . . . . 34 LEU HD2 . 17212 1 292 . 1 1 35 35 LEU HG H 1 1.710 0.01 . 1 . . . . 34 LEU HG . 17212 1 293 . 1 1 35 35 LEU C C 13 178.300 0.1 . 1 . . . . 34 LEU C . 17212 1 294 . 1 1 35 35 LEU CA C 13 57.869 0.1 . 1 . . . . 34 LEU CA . 17212 1 295 . 1 1 35 35 LEU CB C 13 41.729 0.1 . 1 . . . . 34 LEU CB . 17212 1 296 . 1 1 35 35 LEU CD1 C 13 24.763 0.1 . 2 . . . . 34 LEU CD1 . 17212 1 297 . 1 1 35 35 LEU CD2 C 13 24.763 0.1 . 2 . . . . 34 LEU CD2 . 17212 1 298 . 1 1 35 35 LEU CG C 13 26.794 0.1 . 1 . . . . 34 LEU CG . 17212 1 299 . 1 1 35 35 LEU N N 15 121.345 0.01 . 1 . . . . 34 LEU N . 17212 1 300 . 1 1 36 36 ALA H H 1 8.322 0.01 . 1 . . . . 35 ALA HN . 17212 1 301 . 1 1 36 36 ALA HA H 1 3.834 0.01 . 1 . . . . 35 ALA HA . 17212 1 302 . 1 1 36 36 ALA HB1 H 1 1.538 0.01 . 1 . . . . 35 ALA HB . 17212 1 303 . 1 1 36 36 ALA HB2 H 1 1.538 0.01 . 1 . . . . 35 ALA HB . 17212 1 304 . 1 1 36 36 ALA HB3 H 1 1.538 0.01 . 1 . . . . 35 ALA HB . 17212 1 305 . 1 1 36 36 ALA C C 13 179.188 0.1 . 1 . . . . 35 ALA C . 17212 1 306 . 1 1 36 36 ALA CA C 13 55.708 0.1 . 1 . . . . 35 ALA CA . 17212 1 307 . 1 1 36 36 ALA CB C 13 18.065 0.1 . 1 . . . . 35 ALA CB . 17212 1 308 . 1 1 36 36 ALA N N 15 120.723 0.01 . 1 . . . . 35 ALA N . 17212 1 309 . 1 1 37 37 ARG H H 1 7.702 0.01 . 1 . . . . 36 ARG HN . 17212 1 310 . 1 1 37 37 ARG C C 13 179.526 0.1 . 1 . . . . 36 ARG C . 17212 1 311 . 1 1 37 37 ARG CA C 13 59.708 0.1 . 1 . . . . 36 ARG CA . 17212 1 312 . 1 1 37 37 ARG CB C 13 30.050 0.1 . 1 . . . . 36 ARG CB . 17212 1 313 . 1 1 37 37 ARG CD C 13 43.457 0.1 . 1 . . . . 36 ARG CD . 17212 1 314 . 1 1 37 37 ARG CG C 13 28.043 0.1 . 1 . . . . 36 ARG CG . 17212 1 315 . 1 1 37 37 ARG N N 15 116.639 0.01 . 1 . . . . 36 ARG N . 17212 1 316 . 1 1 38 38 LEU H H 1 7.972 0.01 . 1 . . . . 37 LEU HN . 17212 1 317 . 1 1 38 38 LEU HA H 1 3.995 0.01 . 1 . . . . 37 LEU HA . 17212 1 318 . 1 1 38 38 LEU HB2 H 1 1.867 0.01 . 2 . . . . 37 LEU HB2 . 17212 1 319 . 1 1 38 38 LEU HB3 H 1 1.700 0.01 . 2 . . . . 37 LEU HB3 . 17212 1 320 . 1 1 38 38 LEU HD11 H 1 0.782 0.01 . 2 . . . . 37 LEU HD1 . 17212 1 321 . 1 1 38 38 LEU HD12 H 1 0.782 0.01 . 2 . . . . 37 LEU HD1 . 17212 1 322 . 1 1 38 38 LEU HD13 H 1 0.782 0.01 . 2 . . . . 37 LEU HD1 . 17212 1 323 . 1 1 38 38 LEU HD21 H 1 0.782 0.01 . 2 . . . . 37 LEU HD2 . 17212 1 324 . 1 1 38 38 LEU HD22 H 1 0.782 0.01 . 2 . . . . 37 LEU HD2 . 17212 1 325 . 1 1 38 38 LEU HD23 H 1 0.782 0.01 . 2 . . . . 37 LEU HD2 . 17212 1 326 . 1 1 38 38 LEU C C 13 179.539 0.1 . 1 . . . . 37 LEU C . 17212 1 327 . 1 1 38 38 LEU CA C 13 57.960 0.1 . 1 . . . . 37 LEU CA . 17212 1 328 . 1 1 38 38 LEU CB C 13 41.969 0.1 . 1 . . . . 37 LEU CB . 17212 1 329 . 1 1 38 38 LEU CD1 C 13 24.462 0.1 . 2 . . . . 37 LEU CD1 . 17212 1 330 . 1 1 38 38 LEU CD2 C 13 24.462 0.1 . 2 . . . . 37 LEU CD2 . 17212 1 331 . 1 1 38 38 LEU CG C 13 26.393 0.1 . 1 . . . . 37 LEU CG . 17212 1 332 . 1 1 38 38 LEU N N 15 121.766 0.01 . 1 . . . . 37 LEU N . 17212 1 333 . 1 1 39 39 ILE H H 1 8.331 0.01 . 1 . . . . 38 ILE HN . 17212 1 334 . 1 1 39 39 ILE HA H 1 3.256 0.01 . 1 . . . . 38 ILE HA . 17212 1 335 . 1 1 39 39 ILE HD11 H 1 0.504 0.01 . 1 . . . . 38 ILE HD1 . 17212 1 336 . 1 1 39 39 ILE HD12 H 1 0.504 0.01 . 1 . . . . 38 ILE HD1 . 17212 1 337 . 1 1 39 39 ILE HD13 H 1 0.504 0.01 . 1 . . . . 38 ILE HD1 . 17212 1 338 . 1 1 39 39 ILE HG21 H 1 0.681 0.01 . 1 . . . . 38 ILE HG2 . 17212 1 339 . 1 1 39 39 ILE HG22 H 1 0.681 0.01 . 1 . . . . 38 ILE HG2 . 17212 1 340 . 1 1 39 39 ILE HG23 H 1 0.681 0.01 . 1 . . . . 38 ILE HG2 . 17212 1 341 . 1 1 39 39 ILE C C 13 179.094 0.1 . 1 . . . . 38 ILE C . 17212 1 342 . 1 1 39 39 ILE CA C 13 65.580 0.1 . 1 . . . . 38 ILE CA . 17212 1 343 . 1 1 39 39 ILE CB C 13 38.301 0.1 . 1 . . . . 38 ILE CB . 17212 1 344 . 1 1 39 39 ILE CD1 C 13 14.753 0.1 . 1 . . . . 38 ILE CD1 . 17212 1 345 . 1 1 39 39 ILE CG2 C 13 18.132 0.1 . 1 . . . . 38 ILE CG2 . 17212 1 346 . 1 1 39 39 ILE N N 15 119.535 0.01 . 1 . . . . 38 ILE N . 17212 1 347 . 1 1 40 40 ARG H H 1 8.025 0.01 . 1 . . . . 39 ARG HN . 17212 1 348 . 1 1 40 40 ARG C C 13 180.238 0.1 . 1 . . . . 39 ARG C . 17212 1 349 . 1 1 40 40 ARG CA C 13 59.374 0.1 . 1 . . . . 39 ARG CA . 17212 1 350 . 1 1 40 40 ARG CB C 13 29.944 0.1 . 1 . . . . 39 ARG CB . 17212 1 351 . 1 1 40 40 ARG N N 15 118.879 0.01 . 1 . . . . 39 ARG N . 17212 1 352 . 1 1 41 41 ALA H H 1 8.159 0.01 . 1 . . . . 40 ALA HN . 17212 1 353 . 1 1 41 41 ALA HA H 1 4.349 0.01 . 1 . . . . 40 ALA HA . 17212 1 354 . 1 1 41 41 ALA HB1 H 1 1.538 0.01 . 1 . . . . 40 ALA HB . 17212 1 355 . 1 1 41 41 ALA HB2 H 1 1.538 0.01 . 1 . . . . 40 ALA HB . 17212 1 356 . 1 1 41 41 ALA HB3 H 1 1.538 0.01 . 1 . . . . 40 ALA HB . 17212 1 357 . 1 1 41 41 ALA C C 13 178.120 0.1 . 1 . . . . 40 ALA C . 17212 1 358 . 1 1 41 41 ALA CB C 13 18.434 0.1 . 1 . . . . 40 ALA CB . 17212 1 359 . 1 1 41 41 ALA N N 15 120.802 0.01 . 1 . . . . 40 ALA N . 17212 1 360 . 1 1 42 42 ASN H H 1 7.457 0.01 . 1 . . . . 41 ASN HN . 17212 1 361 . 1 1 42 42 ASN HA H 1 4.819 0.01 . 1 . . . . 41 ASN HA . 17212 1 362 . 1 1 42 42 ASN HB2 H 1 2.784 0.01 . 2 . . . . 41 ASN HB2 . 17212 1 363 . 1 1 42 42 ASN HB3 H 1 2.604 0.01 . 2 . . . . 41 ASN HB3 . 17212 1 364 . 1 1 42 42 ASN C C 13 173.512 0.1 . 1 . . . . 41 ASN C . 17212 1 365 . 1 1 42 42 ASN CA C 13 53.899 0.1 . 1 . . . . 41 ASN CA . 17212 1 366 . 1 1 42 42 ASN CB C 13 40.795 0.1 . 1 . . . . 41 ASN CB . 17212 1 367 . 1 1 42 42 ASN N N 15 115.280 0.01 . 1 . . . . 41 ASN N . 17212 1 368 . 1 1 43 43 GLY H H 1 7.628 0.01 . 1 . . . . 42 GLY HN . 17212 1 369 . 1 1 43 43 GLY HA2 H 1 4.069 0.01 . 2 . . . . 42 GLY HA2 . 17212 1 370 . 1 1 43 43 GLY HA3 H 1 3.825 0.01 . 2 . . . . 42 GLY HA3 . 17212 1 371 . 1 1 43 43 GLY C C 13 173.888 0.1 . 1 . . . . 42 GLY C . 17212 1 372 . 1 1 43 43 GLY CA C 13 46.007 0.1 . 1 . . . . 42 GLY CA . 17212 1 373 . 1 1 43 43 GLY N N 15 106.318 0.01 . 1 . . . . 42 GLY N . 17212 1 374 . 1 1 44 44 GLY H H 1 8.097 0.01 . 1 . . . . 43 GLY HN . 17212 1 375 . 1 1 44 44 GLY HA2 H 1 3.874 0.01 . 2 . . . . 43 GLY HA2 . 17212 1 376 . 1 1 44 44 GLY HA3 H 1 3.874 0.01 . 2 . . . . 43 GLY HA3 . 17212 1 377 . 1 1 44 44 GLY C C 13 172.102 0.1 . 1 . . . . 43 GLY C . 17212 1 378 . 1 1 44 44 GLY CA C 13 45.062 0.1 . 1 . . . . 43 GLY CA . 17212 1 379 . 1 1 44 44 GLY N N 15 107.868 0.01 . 1 . . . . 43 GLY N . 17212 1 380 . 1 1 45 45 GLU H H 1 8.296 0.01 . 1 . . . . 44 GLU HN . 17212 1 381 . 1 1 45 45 GLU HA H 1 4.814 0.01 . 1 . . . . 44 GLU HA . 17212 1 382 . 1 1 45 45 GLU HB2 H 1 1.990 0.01 . 2 . . . . 44 GLU HB2 . 17212 1 383 . 1 1 45 45 GLU HB3 H 1 1.990 0.01 . 2 . . . . 44 GLU HB3 . 17212 1 384 . 1 1 45 45 GLU C C 13 176.180 0.1 . 1 . . . . 44 GLU C . 17212 1 385 . 1 1 45 45 GLU CA C 13 54.559 0.1 . 1 . . . . 44 GLU CA . 17212 1 386 . 1 1 45 45 GLU CB C 13 33.332 0.1 . 1 . . . . 44 GLU CB . 17212 1 387 . 1 1 45 45 GLU CG C 13 36.238 0.1 . 1 . . . . 44 GLU CG . 17212 1 388 . 1 1 45 45 GLU N N 15 118.934 0.01 . 1 . . . . 44 GLU N . 17212 1 389 . 1 1 46 46 VAL H H 1 8.881 0.01 . 1 . . . . 45 VAL HN . 17212 1 390 . 1 1 46 46 VAL HA H 1 4.918 0.01 . 1 . . . . 45 VAL HA . 17212 1 391 . 1 1 46 46 VAL HB H 1 2.003 0.01 . 1 . . . . 45 VAL HB . 17212 1 392 . 1 1 46 46 VAL HG11 H 1 0.976 0.01 . 2 . . . . 45 VAL HG1 . 17212 1 393 . 1 1 46 46 VAL HG12 H 1 0.976 0.01 . 2 . . . . 45 VAL HG1 . 17212 1 394 . 1 1 46 46 VAL HG13 H 1 0.976 0.01 . 2 . . . . 45 VAL HG1 . 17212 1 395 . 1 1 46 46 VAL HG21 H 1 0.578 0.01 . 2 . . . . 45 VAL HG2 . 17212 1 396 . 1 1 46 46 VAL HG22 H 1 0.578 0.01 . 2 . . . . 45 VAL HG2 . 17212 1 397 . 1 1 46 46 VAL HG23 H 1 0.578 0.01 . 2 . . . . 45 VAL HG2 . 17212 1 398 . 1 1 46 46 VAL C C 13 176.499 0.1 . 1 . . . . 45 VAL C . 17212 1 399 . 1 1 46 46 VAL CA C 13 61.371 0.1 . 1 . . . . 45 VAL CA . 17212 1 400 . 1 1 46 46 VAL CB C 13 32.543 0.1 . 1 . . . . 45 VAL CB . 17212 1 401 . 1 1 46 46 VAL CG1 C 13 22.301 0.1 . 2 . . . . 45 VAL CG1 . 17212 1 402 . 1 1 46 46 VAL CG2 C 13 22.301 0.1 . 2 . . . . 45 VAL CG2 . 17212 1 403 . 1 1 46 46 VAL N N 15 125.357 0.01 . 1 . . . . 45 VAL N . 17212 1 404 . 1 1 47 47 LEU H H 1 9.142 0.01 . 1 . . . . 46 LEU HN . 17212 1 405 . 1 1 47 47 LEU HA H 1 4.603 0.01 . 1 . . . . 46 LEU HA . 17212 1 406 . 1 1 47 47 LEU HB2 H 1 1.871 0.01 . 2 . . . . 46 LEU HB2 . 17212 1 407 . 1 1 47 47 LEU HB3 H 1 1.871 0.01 . 2 . . . . 46 LEU HB3 . 17212 1 408 . 1 1 47 47 LEU HD11 H 1 0.952 0.01 . 2 . . . . 46 LEU HD1 . 17212 1 409 . 1 1 47 47 LEU HD12 H 1 0.952 0.01 . 2 . . . . 46 LEU HD1 . 17212 1 410 . 1 1 47 47 LEU HD13 H 1 0.952 0.01 . 2 . . . . 46 LEU HD1 . 17212 1 411 . 1 1 47 47 LEU HD21 H 1 0.952 0.01 . 2 . . . . 46 LEU HD2 . 17212 1 412 . 1 1 47 47 LEU HD22 H 1 0.952 0.01 . 2 . . . . 46 LEU HD2 . 17212 1 413 . 1 1 47 47 LEU HD23 H 1 0.952 0.01 . 2 . . . . 46 LEU HD2 . 17212 1 414 . 1 1 47 47 LEU HG H 1 1.663 0.01 . 1 . . . . 46 LEU HG . 17212 1 415 . 1 1 47 47 LEU C C 13 176.548 0.1 . 1 . . . . 46 LEU C . 17212 1 416 . 1 1 47 47 LEU CA C 13 53.901 0.1 . 1 . . . . 46 LEU CA . 17212 1 417 . 1 1 47 47 LEU CB C 13 43.785 0.1 . 1 . . . . 46 LEU CB . 17212 1 418 . 1 1 47 47 LEU CD1 C 13 22.798 0.1 . 2 . . . . 46 LEU CD1 . 17212 1 419 . 1 1 47 47 LEU CD2 C 13 22.798 0.1 . 2 . . . . 46 LEU CD2 . 17212 1 420 . 1 1 47 47 LEU CG C 13 26.577 0.1 . 1 . . . . 46 LEU CG . 17212 1 421 . 1 1 47 47 LEU N N 15 128.911 0.01 . 1 . . . . 46 LEU N . 17212 1 422 . 1 1 48 48 ASP H H 1 8.687 0.01 . 1 . . . . 47 ASP HN . 17212 1 423 . 1 1 48 48 ASP HA H 1 4.806 0.01 . 1 . . . . 47 ASP HA . 17212 1 424 . 1 1 48 48 ASP HB2 H 1 2.799 0.01 . 2 . . . . 47 ASP HB2 . 17212 1 425 . 1 1 48 48 ASP HB3 H 1 2.799 0.01 . 2 . . . . 47 ASP HB3 . 17212 1 426 . 1 1 48 48 ASP C C 13 176.253 0.1 . 1 . . . . 47 ASP C . 17212 1 427 . 1 1 48 48 ASP CA C 13 54.999 0.1 . 1 . . . . 47 ASP CA . 17212 1 428 . 1 1 48 48 ASP CB C 13 41.835 0.1 . 1 . . . . 47 ASP CB . 17212 1 429 . 1 1 48 48 ASP N N 15 119.925 0.01 . 1 . . . . 47 ASP N . 17212 1 430 . 1 1 49 49 SER H H 1 7.549 0.01 . 1 . . . . 48 SER HN . 17212 1 431 . 1 1 49 49 SER HA H 1 4.712 0.01 . 1 . . . . 48 SER HA . 17212 1 432 . 1 1 49 49 SER HB2 H 1 3.691 0.01 . 2 . . . . 48 SER HB2 . 17212 1 433 . 1 1 49 49 SER HB3 H 1 3.691 0.01 . 2 . . . . 48 SER HB3 . 17212 1 434 . 1 1 49 49 SER C C 13 172.592 0.1 . 1 . . . . 48 SER C . 17212 1 435 . 1 1 49 49 SER CA C 13 56.687 0.1 . 1 . . . . 48 SER CA . 17212 1 436 . 1 1 49 49 SER CB C 13 65.007 0.1 . 1 . . . . 48 SER CB . 17212 1 437 . 1 1 49 49 SER N N 15 113.120 0.01 . 1 . . . . 48 SER N . 17212 1 438 . 1 1 50 50 LYS C C 13 174.514 0.1 . 1 . . . . 49 LYS C . 17212 1 439 . 1 1 50 50 LYS CA C 13 54.332 0.1 . 1 . . . . 49 LYS CA . 17212 1 440 . 1 1 50 50 LYS CB C 13 32.838 0.1 . 1 . . . . 49 LYS CB . 17212 1 441 . 1 1 50 50 LYS N N 15 127.511 0.01 . 1 . . . . 49 LYS N . 17212 1 442 . 1 1 51 51 PRO HA H 1 4.214 0.01 . 1 . . . . 50 PRO HA . 17212 1 443 . 1 1 51 51 PRO HB2 H 1 2.281 0.01 . 2 . . . . 50 PRO HB2 . 17212 1 444 . 1 1 51 51 PRO HB3 H 1 1.739 0.01 . 2 . . . . 50 PRO HB3 . 17212 1 445 . 1 1 51 51 PRO HD2 H 1 3.537 0.01 . 2 . . . . 50 PRO HD2 . 17212 1 446 . 1 1 51 51 PRO HD3 H 1 2.982 0.01 . 2 . . . . 50 PRO HD3 . 17212 1 447 . 1 1 51 51 PRO C C 13 175.058 0.1 . 1 . . . . 50 PRO C . 17212 1 448 . 1 1 51 51 PRO CA C 13 62.944 0.1 . 1 . . . . 50 PRO CA . 17212 1 449 . 1 1 51 51 PRO CB C 13 32.068 0.1 . 1 . . . . 50 PRO CB . 17212 1 450 . 1 1 51 51 PRO CD C 13 50.743 0.1 . 1 . . . . 50 PRO CD . 17212 1 451 . 1 1 51 51 PRO CG C 13 27.420 0.1 . 1 . . . . 50 PRO CG . 17212 1 452 . 1 1 52 52 ARG H H 1 8.596 0.01 . 1 . . . . 51 ARG HN . 17212 1 453 . 1 1 52 52 ARG HA H 1 4.283 0.01 . 1 . . . . 51 ARG HA . 17212 1 454 . 1 1 52 52 ARG HB2 H 1 1.918 0.01 . 2 . . . . 51 ARG HB2 . 17212 1 455 . 1 1 52 52 ARG HB3 H 1 1.692 0.01 . 2 . . . . 51 ARG HB3 . 17212 1 456 . 1 1 52 52 ARG HD2 H 1 2.652 0.01 . 2 . . . . 51 ARG HD2 . 17212 1 457 . 1 1 52 52 ARG HD3 H 1 2.652 0.01 . 2 . . . . 51 ARG HD3 . 17212 1 458 . 1 1 52 52 ARG C C 13 175.563 0.1 . 1 . . . . 51 ARG C . 17212 1 459 . 1 1 52 52 ARG CA C 13 55.744 0.1 . 1 . . . . 51 ARG CA . 17212 1 460 . 1 1 52 52 ARG CB C 13 31.625 0.1 . 1 . . . . 51 ARG CB . 17212 1 461 . 1 1 52 52 ARG CD C 13 43.096 0.1 . 1 . . . . 51 ARG CD . 17212 1 462 . 1 1 52 52 ARG CG C 13 27.485 0.1 . 1 . . . . 51 ARG CG . 17212 1 463 . 1 1 52 52 ARG N N 15 118.571 0.01 . 1 . . . . 51 ARG N . 17212 1 464 . 1 1 53 53 GLU H H 1 7.555 0.01 . 1 . . . . 52 GLU HN . 17212 1 465 . 1 1 53 53 GLU HA H 1 4.512 0.01 . 1 . . . . 52 GLU HA . 17212 1 466 . 1 1 53 53 GLU HB2 H 1 2.051 0.01 . 2 . . . . 52 GLU HB2 . 17212 1 467 . 1 1 53 53 GLU HB3 H 1 1.852 0.01 . 2 . . . . 52 GLU HB3 . 17212 1 468 . 1 1 53 53 GLU C C 13 174.554 0.1 . 1 . . . . 52 GLU C . 17212 1 469 . 1 1 53 53 GLU CA C 13 54.054 0.1 . 1 . . . . 52 GLU CA . 17212 1 470 . 1 1 53 53 GLU CB C 13 32.309 0.1 . 1 . . . . 52 GLU CB . 17212 1 471 . 1 1 53 53 GLU CG C 13 35.238 0.1 . 1 . . . . 52 GLU CG . 17212 1 472 . 1 1 53 53 GLU N N 15 116.231 0.01 . 1 . . . . 52 GLU N . 17212 1 473 . 1 1 54 54 SER H H 1 8.645 0.01 . 1 . . . . 53 SER HN . 17212 1 474 . 1 1 54 54 SER HA H 1 4.247 0.01 . 1 . . . . 53 SER HA . 17212 1 475 . 1 1 54 54 SER HB2 H 1 3.756 0.01 . 2 . . . . 53 SER HB2 . 17212 1 476 . 1 1 54 54 SER HB3 H 1 3.756 0.01 . 2 . . . . 53 SER HB3 . 17212 1 477 . 1 1 54 54 SER C C 13 174.185 0.1 . 1 . . . . 53 SER C . 17212 1 478 . 1 1 54 54 SER CA C 13 58.325 0.1 . 1 . . . . 53 SER CA . 17212 1 479 . 1 1 54 54 SER CB C 13 63.150 0.1 . 1 . . . . 53 SER CB . 17212 1 480 . 1 1 54 54 SER N N 15 117.165 0.01 . 1 . . . . 53 SER N . 17212 1 481 . 1 1 55 55 LYS H H 1 8.404 0.01 . 1 . . . . 54 LYS HN . 17212 1 482 . 1 1 55 55 LYS HA H 1 4.356 0.01 . 1 . . . . 54 LYS HA . 17212 1 483 . 1 1 55 55 LYS HB2 H 1 1.741 0.01 . 2 . . . . 54 LYS HB2 . 17212 1 484 . 1 1 55 55 LYS HB3 H 1 1.741 0.01 . 2 . . . . 54 LYS HB3 . 17212 1 485 . 1 1 55 55 LYS HE2 H 1 3.019 0.01 . 2 . . . . 54 LYS HE2 . 17212 1 486 . 1 1 55 55 LYS HE3 H 1 3.019 0.01 . 2 . . . . 54 LYS HE3 . 17212 1 487 . 1 1 55 55 LYS HG2 H 1 1.406 0.01 . 2 . . . . 54 LYS HG2 . 17212 1 488 . 1 1 55 55 LYS HG3 H 1 1.406 0.01 . 2 . . . . 54 LYS HG3 . 17212 1 489 . 1 1 55 55 LYS C C 13 175.577 0.1 . 1 . . . . 54 LYS C . 17212 1 490 . 1 1 55 55 LYS CA C 13 55.467 0.1 . 1 . . . . 54 LYS CA . 17212 1 491 . 1 1 55 55 LYS CB C 13 35.866 0.1 . 1 . . . . 54 LYS CB . 17212 1 492 . 1 1 55 55 LYS CD C 13 28.881 0.1 . 1 . . . . 54 LYS CD . 17212 1 493 . 1 1 55 55 LYS CE C 13 42.027 0.1 . 1 . . . . 54 LYS CE . 17212 1 494 . 1 1 55 55 LYS CG C 13 24.739 0.1 . 1 . . . . 54 LYS CG . 17212 1 495 . 1 1 55 55 LYS N N 15 126.252 0.01 . 1 . . . . 54 LYS N . 17212 1 496 . 1 1 56 56 GLU H H 1 8.494 0.01 . 1 . . . . 55 GLU HN . 17212 1 497 . 1 1 56 56 GLU HA H 1 3.949 0.01 . 1 . . . . 55 GLU HA . 17212 1 498 . 1 1 56 56 GLU HB2 H 1 1.939 0.01 . 2 . . . . 55 GLU HB2 . 17212 1 499 . 1 1 56 56 GLU HB3 H 1 1.939 0.01 . 2 . . . . 55 GLU HB3 . 17212 1 500 . 1 1 56 56 GLU C C 13 175.829 0.1 . 1 . . . . 55 GLU C . 17212 1 501 . 1 1 56 56 GLU CA C 13 57.591 0.1 . 1 . . . . 55 GLU CA . 17212 1 502 . 1 1 56 56 GLU CB C 13 29.618 0.1 . 1 . . . . 55 GLU CB . 17212 1 503 . 1 1 56 56 GLU CG C 13 35.952 0.1 . 1 . . . . 55 GLU CG . 17212 1 504 . 1 1 56 56 GLU N N 15 122.399 0.01 . 1 . . . . 55 GLU N . 17212 1 505 . 1 1 57 57 ASN H H 1 8.709 0.01 . 1 . . . . 56 ASN HN . 17212 1 506 . 1 1 57 57 ASN HA H 1 4.295 0.01 . 1 . . . . 56 ASN HA . 17212 1 507 . 1 1 57 57 ASN HB2 H 1 3.409 0.01 . 2 . . . . 56 ASN HB2 . 17212 1 508 . 1 1 57 57 ASN HB3 H 1 3.126 0.01 . 2 . . . . 56 ASN HB3 . 17212 1 509 . 1 1 57 57 ASN HD21 H 1 7.176 0.01 . 2 . . . . 56 ASN HD21 . 17212 1 510 . 1 1 57 57 ASN HD22 H 1 7.328 0.01 . 2 . . . . 56 ASN HD22 . 17212 1 511 . 1 1 57 57 ASN C C 13 171.880 0.1 . 1 . . . . 56 ASN C . 17212 1 512 . 1 1 57 57 ASN CA C 13 54.468 0.1 . 1 . . . . 56 ASN CA . 17212 1 513 . 1 1 57 57 ASN CB C 13 37.118 0.1 . 1 . . . . 56 ASN CB . 17212 1 514 . 1 1 57 57 ASN N N 15 116.436 0.01 . 1 . . . . 56 ASN N . 17212 1 515 . 1 1 58 58 VAL H H 1 6.809 0.01 . 1 . . . . 57 VAL HN . 17212 1 516 . 1 1 58 58 VAL HA H 1 4.454 0.01 . 1 . . . . 57 VAL HA . 17212 1 517 . 1 1 58 58 VAL HB H 1 2.243 0.01 . 1 . . . . 57 VAL HB . 17212 1 518 . 1 1 58 58 VAL HG11 H 1 0.668 0.01 . 2 . . . . 57 VAL HG1 . 17212 1 519 . 1 1 58 58 VAL HG12 H 1 0.668 0.01 . 2 . . . . 57 VAL HG1 . 17212 1 520 . 1 1 58 58 VAL HG13 H 1 0.668 0.01 . 2 . . . . 57 VAL HG1 . 17212 1 521 . 1 1 58 58 VAL HG21 H 1 0.668 0.01 . 2 . . . . 57 VAL HG2 . 17212 1 522 . 1 1 58 58 VAL HG22 H 1 0.668 0.01 . 2 . . . . 57 VAL HG2 . 17212 1 523 . 1 1 58 58 VAL HG23 H 1 0.668 0.01 . 2 . . . . 57 VAL HG2 . 17212 1 524 . 1 1 58 58 VAL C C 13 175.368 0.1 . 1 . . . . 57 VAL C . 17212 1 525 . 1 1 58 58 VAL CA C 13 61.237 0.1 . 1 . . . . 57 VAL CA . 17212 1 526 . 1 1 58 58 VAL CB C 13 32.706 0.1 . 1 . . . . 57 VAL CB . 17212 1 527 . 1 1 58 58 VAL N N 15 117.250 0.01 . 1 . . . . 57 VAL N . 17212 1 528 . 1 1 59 59 PHE H H 1 8.583 0.01 . 1 . . . . 58 PHE HN . 17212 1 529 . 1 1 59 59 PHE HA H 1 4.821 0.01 . 1 . . . . 58 PHE HA . 17212 1 530 . 1 1 59 59 PHE HB2 H 1 3.001 0.01 . 2 . . . . 58 PHE HB2 . 17212 1 531 . 1 1 59 59 PHE HB3 H 1 2.711 0.01 . 2 . . . . 58 PHE HB3 . 17212 1 532 . 1 1 59 59 PHE C C 13 175.206 0.1 . 1 . . . . 58 PHE C . 17212 1 533 . 1 1 59 59 PHE CA C 13 56.760 0.1 . 1 . . . . 58 PHE CA . 17212 1 534 . 1 1 59 59 PHE CB C 13 43.301 0.1 . 1 . . . . 58 PHE CB . 17212 1 535 . 1 1 59 59 PHE N N 15 123.762 0.01 . 1 . . . . 58 PHE N . 17212 1 536 . 1 1 60 60 ILE H H 1 8.989 0.01 . 1 . . . . 59 ILE HN . 17212 1 537 . 1 1 60 60 ILE HA H 1 4.933 0.01 . 1 . . . . 59 ILE HA . 17212 1 538 . 1 1 60 60 ILE HB H 1 2.294 0.01 . 1 . . . . 59 ILE HB . 17212 1 539 . 1 1 60 60 ILE HD11 H 1 0.761 0.01 . 1 . . . . 59 ILE HD1 . 17212 1 540 . 1 1 60 60 ILE HD12 H 1 0.761 0.01 . 1 . . . . 59 ILE HD1 . 17212 1 541 . 1 1 60 60 ILE HD13 H 1 0.761 0.01 . 1 . . . . 59 ILE HD1 . 17212 1 542 . 1 1 60 60 ILE HG12 H 1 1.828 0.01 . 2 . . . . 59 ILE HG12 . 17212 1 543 . 1 1 60 60 ILE HG13 H 1 1.209 0.01 . 2 . . . . 59 ILE HG13 . 17212 1 544 . 1 1 60 60 ILE HG21 H 1 0.909 0.01 . 1 . . . . 59 ILE HG2 . 17212 1 545 . 1 1 60 60 ILE HG22 H 1 0.909 0.01 . 1 . . . . 59 ILE HG2 . 17212 1 546 . 1 1 60 60 ILE HG23 H 1 0.909 0.01 . 1 . . . . 59 ILE HG2 . 17212 1 547 . 1 1 60 60 ILE C C 13 175.351 0.1 . 1 . . . . 59 ILE C . 17212 1 548 . 1 1 60 60 ILE CA C 13 60.635 0.1 . 1 . . . . 59 ILE CA . 17212 1 549 . 1 1 60 60 ILE CB C 13 37.598 0.1 . 1 . . . . 59 ILE CB . 17212 1 550 . 1 1 60 60 ILE CD1 C 13 13.719 0.1 . 1 . . . . 59 ILE CD1 . 17212 1 551 . 1 1 60 60 ILE CG2 C 13 18.274 0.1 . 1 . . . . 59 ILE CG2 . 17212 1 552 . 1 1 60 60 ILE N N 15 123.513 0.01 . 1 . . . . 59 ILE N . 17212 1 553 . 1 1 61 61 VAL H H 1 9.203 0.01 . 1 . . . . 60 VAL HN . 17212 1 554 . 1 1 61 61 VAL HA H 1 5.375 0.01 . 1 . . . . 60 VAL HA . 17212 1 555 . 1 1 61 61 VAL HB H 1 2.161 0.01 . 1 . . . . 60 VAL HB . 17212 1 556 . 1 1 61 61 VAL HG11 H 1 0.938 0.01 . 2 . . . . 60 VAL HG1 . 17212 1 557 . 1 1 61 61 VAL HG12 H 1 0.938 0.01 . 2 . . . . 60 VAL HG1 . 17212 1 558 . 1 1 61 61 VAL HG13 H 1 0.938 0.01 . 2 . . . . 60 VAL HG1 . 17212 1 559 . 1 1 61 61 VAL HG21 H 1 0.760 0.01 . 2 . . . . 60 VAL HG2 . 17212 1 560 . 1 1 61 61 VAL HG22 H 1 0.760 0.01 . 2 . . . . 60 VAL HG2 . 17212 1 561 . 1 1 61 61 VAL HG23 H 1 0.760 0.01 . 2 . . . . 60 VAL HG2 . 17212 1 562 . 1 1 61 61 VAL C C 13 176.045 0.1 . 1 . . . . 60 VAL C . 17212 1 563 . 1 1 61 61 VAL CA C 13 60.368 0.1 . 1 . . . . 60 VAL CA . 17212 1 564 . 1 1 61 61 VAL CB C 13 31.360 0.1 . 1 . . . . 60 VAL CB . 17212 1 565 . 1 1 61 61 VAL CG1 C 13 22.667 0.1 . 2 . . . . 60 VAL CG1 . 17212 1 566 . 1 1 61 61 VAL CG2 C 13 21.395 0.1 . 2 . . . . 60 VAL CG2 . 17212 1 567 . 1 1 61 61 VAL N N 15 127.013 0.01 . 1 . . . . 60 VAL N . 17212 1 568 . 1 1 62 62 SER H H 1 8.732 0.01 . 1 . . . . 61 SER HN . 17212 1 569 . 1 1 62 62 SER HA H 1 4.492 0.01 . 1 . . . . 61 SER HA . 17212 1 570 . 1 1 62 62 SER HB2 H 1 2.209 0.01 . 2 . . . . 61 SER HB2 . 17212 1 571 . 1 1 62 62 SER HB3 H 1 2.209 0.01 . 2 . . . . 61 SER HB3 . 17212 1 572 . 1 1 62 62 SER C C 13 171.697 0.1 . 1 . . . . 61 SER C . 17212 1 573 . 1 1 62 62 SER CB C 13 65.585 0.1 . 1 . . . . 61 SER CB . 17212 1 574 . 1 1 62 62 SER N N 15 121.344 0.01 . 1 . . . . 61 SER N . 17212 1 575 . 1 1 63 63 PRO HA H 1 4.492 0.01 . 1 . . . . 62 PRO HA . 17212 1 576 . 1 1 63 63 PRO HB2 H 1 2.245 0.01 . 2 . . . . 62 PRO HB2 . 17212 1 577 . 1 1 63 63 PRO HB3 H 1 1.676 0.01 . 2 . . . . 62 PRO HB3 . 17212 1 578 . 1 1 63 63 PRO HD2 H 1 3.679 0.01 . 2 . . . . 62 PRO HD2 . 17212 1 579 . 1 1 63 63 PRO HD3 H 1 3.679 0.01 . 2 . . . . 62 PRO HD3 . 17212 1 580 . 1 1 63 63 PRO HG2 H 1 1.903 0.01 . 2 . . . . 62 PRO HG2 . 17212 1 581 . 1 1 63 63 PRO HG3 H 1 1.903 0.01 . 2 . . . . 62 PRO HG3 . 17212 1 582 . 1 1 63 63 PRO C C 13 174.638 0.1 . 1 . . . . 62 PRO C . 17212 1 583 . 1 1 63 63 PRO CA C 13 63.124 0.1 . 1 . . . . 62 PRO CA . 17212 1 584 . 1 1 63 63 PRO CB C 13 31.678 0.1 . 1 . . . . 62 PRO CB . 17212 1 585 . 1 1 63 63 PRO CD C 13 50.889 0.1 . 1 . . . . 62 PRO CD . 17212 1 586 . 1 1 63 63 PRO CG C 13 27.299 0.1 . 1 . . . . 62 PRO CG . 17212 1 587 . 1 1 64 64 TYR H H 1 7.182 0.01 . 1 . . . . 63 TYR HN . 17212 1 588 . 1 1 64 64 TYR HA H 1 4.824 0.01 . 1 . . . . 63 TYR HA . 17212 1 589 . 1 1 64 64 TYR HB2 H 1 2.739 0.01 . 2 . . . . 63 TYR HB2 . 17212 1 590 . 1 1 64 64 TYR HB3 H 1 2.552 0.01 . 2 . . . . 63 TYR HB3 . 17212 1 591 . 1 1 64 64 TYR C C 13 174.141 0.1 . 1 . . . . 63 TYR C . 17212 1 592 . 1 1 64 64 TYR CA C 13 54.803 0.1 . 1 . . . . 63 TYR CA . 17212 1 593 . 1 1 64 64 TYR CB C 13 40.781 0.1 . 1 . . . . 63 TYR CB . 17212 1 594 . 1 1 64 64 TYR N N 15 112.838 0.01 . 1 . . . . 63 TYR N . 17212 1 595 . 1 1 65 65 ASN H H 1 9.258 0.01 . 1 . . . . 64 ASN HN . 17212 1 596 . 1 1 65 65 ASN HB2 H 1 2.578 0.01 . 2 . . . . 64 ASN HB2 . 17212 1 597 . 1 1 65 65 ASN HB3 H 1 2.578 0.01 . 2 . . . . 64 ASN HB3 . 17212 1 598 . 1 1 65 65 ASN HD21 H 1 6.761 0.01 . . . . . . 64 ASN HD21 . 17212 1 599 . 1 1 65 65 ASN HD22 H 1 6.761 0.01 . 2 . . . . 64 ASN HD22 . 17212 1 600 . 1 1 65 65 ASN C C 13 174.208 0.1 . 1 . . . . 64 ASN C . 17212 1 601 . 1 1 65 65 ASN CA C 13 51.031 0.1 . 1 . . . . 64 ASN CA . 17212 1 602 . 1 1 65 65 ASN CB C 13 38.714 0.1 . 1 . . . . 64 ASN CB . 17212 1 603 . 1 1 65 65 ASN N N 15 119.809 0.01 . 1 . . . . 64 ASN N . 17212 1 604 . 1 1 66 66 HIS H H 1 8.791 0.01 . 1 . . . . 65 HIS HN . 17212 1 605 . 1 1 66 66 HIS HA H 1 5.460 0.01 . 1 . . . . 65 HIS HA . 17212 1 606 . 1 1 66 66 HIS HB2 H 1 3.589 0.01 . 2 . . . . 65 HIS HB2 . 17212 1 607 . 1 1 66 66 HIS HB3 H 1 3.196 0.01 . 2 . . . . 65 HIS HB3 . 17212 1 608 . 1 1 66 66 HIS C C 13 175.945 0.1 . 1 . . . . 65 HIS C . 17212 1 609 . 1 1 66 66 HIS CA C 13 53.786 0.1 . 1 . . . . 65 HIS CA . 17212 1 610 . 1 1 66 66 HIS CB C 13 30.840 0.1 . 1 . . . . 65 HIS CB . 17212 1 611 . 1 1 66 66 HIS N N 15 120.540 0.01 . 1 . . . . 65 HIS N . 17212 1 612 . 1 1 67 67 THR H H 1 8.408 0.01 . 1 . . . . 66 THR HN . 17212 1 613 . 1 1 67 67 THR HA H 1 4.450 0.01 . 1 . . . . 66 THR HA . 17212 1 614 . 1 1 67 67 THR HB H 1 4.117 0.01 . 1 . . . . 66 THR HB . 17212 1 615 . 1 1 67 67 THR HG21 H 1 1.219 0.01 . . . . . . 66 THR HG2 . 17212 1 616 . 1 1 67 67 THR HG22 H 1 1.219 0.01 . . . . . . 66 THR HG2 . 17212 1 617 . 1 1 67 67 THR HG23 H 1 1.219 0.01 . . . . . . 66 THR HG2 . 17212 1 618 . 1 1 67 67 THR C C 13 175.526 0.1 . 1 . . . . 66 THR C . 17212 1 619 . 1 1 67 67 THR CA C 13 62.376 0.1 . 1 . . . . 66 THR CA . 17212 1 620 . 1 1 67 67 THR CB C 13 70.731 0.1 . 1 . . . . 66 THR CB . 17212 1 621 . 1 1 67 67 THR CG2 C 13 21.264 0.1 . 1 . . . . 66 THR CG2 . 17212 1 622 . 1 1 67 67 THR N N 15 110.711 0.01 . 1 . . . . 66 THR N . 17212 1 623 . 1 1 68 68 ASN H H 1 8.838 0.01 . 1 . . . . 67 ASN HN . 17212 1 624 . 1 1 68 68 ASN HA H 1 3.973 0.01 . 1 . . . . 67 ASN HA . 17212 1 625 . 1 1 68 68 ASN HB2 H 1 2.935 0.01 . 2 . . . . 67 ASN HB2 . 17212 1 626 . 1 1 68 68 ASN HB3 H 1 2.935 0.01 . 2 . . . . 67 ASN HB3 . 17212 1 627 . 1 1 68 68 ASN HD21 H 1 6.702 0.01 . 2 . . . . 67 ASN HD21 . 17212 1 628 . 1 1 68 68 ASN HD22 H 1 6.702 0.01 . 2 . . . . 67 ASN HD22 . 17212 1 629 . 1 1 68 68 ASN C C 13 173.559 0.1 . 1 . . . . 67 ASN C . 17212 1 630 . 1 1 68 68 ASN CA C 13 52.688 0.1 . 1 . . . . 67 ASN CA . 17212 1 631 . 1 1 68 68 ASN CB C 13 37.330 0.1 . 1 . . . . 67 ASN CB . 17212 1 632 . 1 1 68 68 ASN N N 15 120.192 0.01 . 1 . . . . 67 ASN N . 17212 1 633 . 1 1 69 69 LEU H H 1 7.743 0.01 . 1 . . . . 68 LEU HN . 17212 1 634 . 1 1 69 69 LEU C C 13 174.583 0.1 . 1 . . . . 68 LEU C . 17212 1 635 . 1 1 69 69 LEU CA C 13 52.260 0.1 . 1 . . . . 68 LEU CA . 17212 1 636 . 1 1 69 69 LEU CB C 13 42.158 0.1 . 1 . . . . 68 LEU CB . 17212 1 637 . 1 1 69 69 LEU N N 15 120.122 0.01 . 1 . . . . 68 LEU N . 17212 1 638 . 1 1 70 70 PRO HA H 1 4.329 0.01 . 1 . . . . 69 PRO HA . 17212 1 639 . 1 1 70 70 PRO HB2 H 1 2.221 0.01 . 2 . . . . 69 PRO HB2 . 17212 1 640 . 1 1 70 70 PRO HB3 H 1 2.048 0.01 . 2 . . . . 69 PRO HB3 . 17212 1 641 . 1 1 70 70 PRO HD2 H 1 3.732 0.01 . 2 . . . . 69 PRO HD2 . 17212 1 642 . 1 1 70 70 PRO HD3 H 1 3.559 0.01 . 2 . . . . 69 PRO HD3 . 17212 1 643 . 1 1 70 70 PRO HG2 H 1 1.841 0.01 . 2 . . . . 69 PRO HG2 . 17212 1 644 . 1 1 70 70 PRO HG3 H 1 1.841 0.01 . 2 . . . . 69 PRO HG3 . 17212 1 645 . 1 1 70 70 PRO C C 13 176.447 0.1 . 1 . . . . 69 PRO C . 17212 1 646 . 1 1 70 70 PRO CA C 13 64.797 0.1 . 1 . . . . 69 PRO CA . 17212 1 647 . 1 1 70 70 PRO CB C 13 32.286 0.1 . 1 . . . . 69 PRO CB . 17212 1 648 . 1 1 70 70 PRO CD C 13 50.141 0.1 . 1 . . . . 69 PRO CD . 17212 1 649 . 1 1 70 70 PRO CG C 13 28.057 0.1 . 1 . . . . 69 PRO CG . 17212 1 650 . 1 1 71 71 THR H H 1 8.995 0.01 . 1 . . . . 70 THR HN . 17212 1 651 . 1 1 71 71 THR HA H 1 5.834 0.01 . 1 . . . . 70 THR HA . 17212 1 652 . 1 1 71 71 THR HB H 1 4.076 0.01 . 1 . . . . 70 THR HB . 17212 1 653 . 1 1 71 71 THR HG1 H 1 6.711 0.01 . 1 . . . . 70 THR HG1 . 17212 1 654 . 1 1 71 71 THR HG21 H 1 1.161 0.01 . . . . . . 70 THR HG2 . 17212 1 655 . 1 1 71 71 THR HG22 H 1 1.161 0.01 . . . . . . 70 THR HG2 . 17212 1 656 . 1 1 71 71 THR HG23 H 1 1.161 0.01 . . . . . . 70 THR HG2 . 17212 1 657 . 1 1 71 71 THR C C 13 173.006 0.1 . 1 . . . . 70 THR C . 17212 1 658 . 1 1 71 71 THR CA C 13 61.838 0.1 . 1 . . . . 70 THR CA . 17212 1 659 . 1 1 71 71 THR CB C 13 70.320 0.1 . 1 . . . . 70 THR CB . 17212 1 660 . 1 1 71 71 THR CG2 C 13 21.396 0.1 . 1 . . . . 70 THR CG2 . 17212 1 661 . 1 1 71 71 THR N N 15 124.970 0.01 . 1 . . . . 70 THR N . 17212 1 662 . 1 1 72 72 VAL H H 1 9.522 0.01 . 1 . . . . 71 VAL HN . 17212 1 663 . 1 1 72 72 VAL HA H 1 5.331 0.01 . 1 . . . . 71 VAL HA . 17212 1 664 . 1 1 72 72 VAL HB H 1 1.903 0.01 . 1 . . . . 71 VAL HB . 17212 1 665 . 1 1 72 72 VAL HG11 H 1 0.852 0.01 . 2 . . . . 71 VAL HG1 . 17212 1 666 . 1 1 72 72 VAL HG12 H 1 0.852 0.01 . 2 . . . . 71 VAL HG1 . 17212 1 667 . 1 1 72 72 VAL HG13 H 1 0.852 0.01 . 2 . . . . 71 VAL HG1 . 17212 1 668 . 1 1 72 72 VAL HG21 H 1 0.590 0.01 . 2 . . . . 71 VAL HG2 . 17212 1 669 . 1 1 72 72 VAL HG22 H 1 0.590 0.01 . 2 . . . . 71 VAL HG2 . 17212 1 670 . 1 1 72 72 VAL HG23 H 1 0.590 0.01 . 2 . . . . 71 VAL HG2 . 17212 1 671 . 1 1 72 72 VAL C C 13 173.905 0.1 . 1 . . . . 71 VAL C . 17212 1 672 . 1 1 72 72 VAL CA C 13 57.877 0.1 . 1 . . . . 71 VAL CA . 17212 1 673 . 1 1 72 72 VAL CB C 13 35.459 0.1 . 1 . . . . 71 VAL CB . 17212 1 674 . 1 1 72 72 VAL CG1 C 13 21.587 0.1 . 2 . . . . 71 VAL CG1 . 17212 1 675 . 1 1 72 72 VAL CG2 C 13 19.752 0.1 . 2 . . . . 71 VAL CG2 . 17212 1 676 . 1 1 72 72 VAL N N 15 119.933 0.01 . 1 . . . . 71 VAL N . 17212 1 677 . 1 1 73 73 THR H H 1 7.808 0.01 . 1 . . . . 72 THR HN . 17212 1 678 . 1 1 73 73 THR HB H 1 1.905 0.01 . 1 . . . . 72 THR HB . 17212 1 679 . 1 1 73 73 THR C C 13 175.126 0.1 . 1 . . . . 72 THR C . 17212 1 680 . 1 1 73 73 THR CA C 13 59.659 0.1 . 1 . . . . 72 THR CA . 17212 1 681 . 1 1 73 73 THR CB C 13 68.998 0.1 . 1 . . . . 72 THR CB . 17212 1 682 . 1 1 73 73 THR N N 15 111.833 0.01 . 1 . . . . 72 THR N . 17212 1 683 . 1 1 74 74 PRO HA H 1 3.965 0.01 . 1 . . . . 73 PRO HA . 17212 1 684 . 1 1 74 74 PRO HB2 H 1 2.256 0.01 . 2 . . . . 73 PRO HB2 . 17212 1 685 . 1 1 74 74 PRO HB3 H 1 2.048 0.01 . 2 . . . . 73 PRO HB3 . 17212 1 686 . 1 1 74 74 PRO HD2 H 1 3.285 0.01 . 2 . . . . 73 PRO HD2 . 17212 1 687 . 1 1 74 74 PRO HD3 H 1 3.285 0.01 . 2 . . . . 73 PRO HD3 . 17212 1 688 . 1 1 74 74 PRO HG2 H 1 1.555 0.01 . 2 . . . . 73 PRO HG2 . 17212 1 689 . 1 1 74 74 PRO HG3 H 1 1.404 0.01 . 2 . . . . 73 PRO HG3 . 17212 1 690 . 1 1 74 74 PRO C C 13 177.959 0.1 . 1 . . . . 73 PRO C . 17212 1 691 . 1 1 74 74 PRO CA C 13 65.085 0.1 . 1 . . . . 73 PRO CA . 17212 1 692 . 1 1 74 74 PRO CB C 13 31.737 0.1 . 1 . . . . 73 PRO CB . 17212 1 693 . 1 1 74 74 PRO CD C 13 49.766 0.1 . 1 . . . . 73 PRO CD . 17212 1 694 . 1 1 74 74 PRO CG C 13 28.010 0.1 . 1 . . . . 73 PRO CG . 17212 1 695 . 1 1 75 75 THR H H 1 7.498 0.01 . 1 . . . . 74 THR HN . 17212 1 696 . 1 1 75 75 THR HA H 1 4.246 0.01 . 1 . . . . 74 THR HA . 17212 1 697 . 1 1 75 75 THR HB H 1 3.789 0.01 . 1 . . . . 74 THR HB . 17212 1 698 . 1 1 75 75 THR HG21 H 1 1.381 0.01 . . . . . . 74 THR HG2 . 17212 1 699 . 1 1 75 75 THR HG22 H 1 1.381 0.01 . . . . . . 74 THR HG2 . 17212 1 700 . 1 1 75 75 THR HG23 H 1 1.381 0.01 . . . . . . 74 THR HG2 . 17212 1 701 . 1 1 75 75 THR C C 13 175.433 0.1 . 1 . . . . 74 THR C . 17212 1 702 . 1 1 75 75 THR CA C 13 65.787 0.1 . 1 . . . . 74 THR CA . 17212 1 703 . 1 1 75 75 THR CB C 13 68.656 0.1 . 1 . . . . 74 THR CB . 17212 1 704 . 1 1 75 75 THR CG2 C 13 22.452 0.1 . 1 . . . . 74 THR CG2 . 17212 1 705 . 1 1 75 75 THR N N 15 110.929 0.01 . 1 . . . . 74 THR N . 17212 1 706 . 1 1 76 76 TYR H H 1 7.859 0.01 . 1 . . . . 75 TYR HN . 17212 1 707 . 1 1 76 76 TYR HA H 1 3.398 0.01 . 1 . . . . 75 TYR HA . 17212 1 708 . 1 1 76 76 TYR HB2 H 1 2.878 0.01 . 2 . . . . 75 TYR HB2 . 17212 1 709 . 1 1 76 76 TYR HB3 H 1 2.878 0.01 . 2 . . . . 75 TYR HB3 . 17212 1 710 . 1 1 76 76 TYR C C 13 176.742 0.1 . 1 . . . . 75 TYR C . 17212 1 711 . 1 1 76 76 TYR CA C 13 61.468 0.1 . 1 . . . . 75 TYR CA . 17212 1 712 . 1 1 76 76 TYR CB C 13 38.470 0.1 . 1 . . . . 75 TYR CB . 17212 1 713 . 1 1 76 76 TYR N N 15 122.027 0.01 . 1 . . . . 75 TYR N . 17212 1 714 . 1 1 77 77 ILE H H 1 6.916 0.01 . 1 . . . . 76 ILE HN . 17212 1 715 . 1 1 77 77 ILE HA H 1 3.159 0.01 . 1 . . . . 76 ILE HA . 17212 1 716 . 1 1 77 77 ILE HB H 1 2.088 0.01 . 1 . . . . 76 ILE HB . 17212 1 717 . 1 1 77 77 ILE HD11 H 1 0.534 0.01 . 1 . . . . 76 ILE HD1 . 17212 1 718 . 1 1 77 77 ILE HD12 H 1 0.534 0.01 . 1 . . . . 76 ILE HD1 . 17212 1 719 . 1 1 77 77 ILE HD13 H 1 0.534 0.01 . 1 . . . . 76 ILE HD1 . 17212 1 720 . 1 1 77 77 ILE HG12 H 1 1.397 0.01 . 2 . . . . 76 ILE HG12 . 17212 1 721 . 1 1 77 77 ILE HG13 H 1 1.012 0.01 . 2 . . . . 76 ILE HG13 . 17212 1 722 . 1 1 77 77 ILE HG21 H 1 0.580 0.01 . 1 . . . . 76 ILE HG2 . 17212 1 723 . 1 1 77 77 ILE HG22 H 1 0.580 0.01 . 1 . . . . 76 ILE HG2 . 17212 1 724 . 1 1 77 77 ILE HG23 H 1 0.580 0.01 . 1 . . . . 76 ILE HG2 . 17212 1 725 . 1 1 77 77 ILE C C 13 178.228 0.1 . 1 . . . . 76 ILE C . 17212 1 726 . 1 1 77 77 ILE CA C 13 62.028 0.1 . 1 . . . . 76 ILE CA . 17212 1 727 . 1 1 77 77 ILE CB C 13 35.517 0.1 . 1 . . . . 76 ILE CB . 17212 1 728 . 1 1 77 77 ILE CD1 C 13 9.217 0.1 . 1 . . . . 76 ILE CD1 . 17212 1 729 . 1 1 77 77 ILE CG2 C 13 18.205 0.1 . 1 . . . . 76 ILE CG2 . 17212 1 730 . 1 1 77 77 ILE N N 15 116.463 0.01 . 1 . . . . 76 ILE N . 17212 1 731 . 1 1 78 78 LYS H H 1 7.537 0.01 . 1 . . . . 77 LYS HN . 17212 1 732 . 1 1 78 78 LYS HA H 1 3.197 0.01 . 1 . . . . 77 LYS HA . 17212 1 733 . 1 1 78 78 LYS HB2 H 1 2.103 0.01 . 2 . . . . 77 LYS HB2 . 17212 1 734 . 1 1 78 78 LYS HB3 H 1 2.024 0.01 . 2 . . . . 77 LYS HB3 . 17212 1 735 . 1 1 78 78 LYS C C 13 178.241 0.1 . 1 . . . . 77 LYS C . 17212 1 736 . 1 1 78 78 LYS CA C 13 58.678 0.1 . 1 . . . . 77 LYS CA . 17212 1 737 . 1 1 78 78 LYS CB C 13 31.727 0.1 . 1 . . . . 77 LYS CB . 17212 1 738 . 1 1 78 78 LYS N N 15 118.049 0.01 . 1 . . . . 77 LYS N . 17212 1 739 . 1 1 79 79 ALA H H 1 8.286 0.01 . 1 . . . . 78 ALA HN . 17212 1 740 . 1 1 79 79 ALA HA H 1 4.055 0.01 . 1 . . . . 78 ALA HA . 17212 1 741 . 1 1 79 79 ALA HB1 H 1 1.265 0.01 . 1 . . . . 78 ALA HB . 17212 1 742 . 1 1 79 79 ALA HB2 H 1 1.265 0.01 . 1 . . . . 78 ALA HB . 17212 1 743 . 1 1 79 79 ALA HB3 H 1 1.265 0.01 . 1 . . . . 78 ALA HB . 17212 1 744 . 1 1 79 79 ALA C C 13 181.409 0.1 . 1 . . . . 78 ALA C . 17212 1 745 . 1 1 79 79 ALA CA C 13 55.138 0.1 . 1 . . . . 78 ALA CA . 17212 1 746 . 1 1 79 79 ALA CB C 13 18.008 0.1 . 1 . . . . 78 ALA CB . 17212 1 747 . 1 1 79 79 ALA N N 15 121.804 0.01 . 1 . . . . 78 ALA N . 17212 1 748 . 1 1 80 80 CYS H H 1 8.007 0.01 . 1 . . . . 79 CYS HN . 17212 1 749 . 1 1 80 80 CYS HA H 1 3.644 0.01 . 1 . . . . 79 CYS HA . 17212 1 750 . 1 1 80 80 CYS HB2 H 1 2.707 0.01 . 2 . . . . 79 CYS HB2 . 17212 1 751 . 1 1 80 80 CYS HB3 H 1 2.423 0.01 . 2 . . . . 79 CYS HB3 . 17212 1 752 . 1 1 80 80 CYS C C 13 177.028 0.1 . 1 . . . . 79 CYS C . 17212 1 753 . 1 1 80 80 CYS CA C 13 55.748 0.1 . 1 . . . . 79 CYS CA . 17212 1 754 . 1 1 80 80 CYS CB C 13 27.559 0.1 . 1 . . . . 79 CYS CB . 17212 1 755 . 1 1 80 80 CYS N N 15 118.613 0.01 . 1 . . . . 79 CYS N . 17212 1 756 . 1 1 81 81 CYS H H 1 7.541 0.01 . . . . . . 80 CYS NH . 17212 1 757 . 1 1 81 81 CYS HA H 1 4.797 0.01 . 1 . . . . 80 CYS HA . 17212 1 758 . 1 1 81 81 CYS HB2 H 1 3.980 0.01 . 2 . . . . 80 CYS HB2 . 17212 1 759 . 1 1 81 81 CYS HB3 H 1 3.297 0.01 . 2 . . . . 80 CYS HB3 . 17212 1 760 . 1 1 81 81 CYS C C 13 176.821 0.1 . 1 . . . . 80 CYS C . 17212 1 761 . 1 1 81 81 CYS CA C 13 63.305 0.1 . 1 . . . . 80 CYS CA . 17212 1 762 . 1 1 81 81 CYS CB C 13 26.957 0.1 . 1 . . . . 80 CYS CB . 17212 1 763 . 1 1 81 81 CYS N N 15 115.984 0.01 . 1 . . . . 80 CYS N . 17212 1 764 . 1 1 82 82 GLN H H 1 8.277 0.01 . 1 . . . . 81 GLN HN . 17212 1 765 . 1 1 82 82 GLN HA H 1 4.130 0.01 . 1 . . . . 81 GLN HA . 17212 1 766 . 1 1 82 82 GLN HB2 H 1 2.091 0.01 . 2 . . . . 81 GLN HB2 . 17212 1 767 . 1 1 82 82 GLN HB3 H 1 2.091 0.01 . 2 . . . . 81 GLN HB3 . 17212 1 768 . 1 1 82 82 GLN HG2 H 1 2.416 0.01 . 2 . . . . 81 GLN HG2 . 17212 1 769 . 1 1 82 82 GLN HG3 H 1 2.416 0.01 . 2 . . . . 81 GLN HG3 . 17212 1 770 . 1 1 82 82 GLN C C 13 177.180 0.1 . 1 . . . . 81 GLN C . 17212 1 771 . 1 1 82 82 GLN CA C 13 58.015 0.1 . 1 . . . . 81 GLN CA . 17212 1 772 . 1 1 82 82 GLN CB C 13 28.571 0.1 . 1 . . . . 81 GLN CB . 17212 1 773 . 1 1 82 82 GLN CG C 13 33.812 0.1 . 1 . . . . 81 GLN CG . 17212 1 774 . 1 1 82 82 GLN N N 15 118.993 0.01 . 1 . . . . 81 GLN N . 17212 1 775 . 1 1 83 83 SER H H 1 7.651 0.01 . 1 . . . . 82 SER HN . 17212 1 776 . 1 1 83 83 SER HA H 1 4.375 0.01 . 1 . . . . 82 SER HA . 17212 1 777 . 1 1 83 83 SER HB2 H 1 3.949 0.01 . 2 . . . . 82 SER HB2 . 17212 1 778 . 1 1 83 83 SER HB3 H 1 3.949 0.01 . 2 . . . . 82 SER HB3 . 17212 1 779 . 1 1 83 83 SER C C 13 174.203 0.1 . 1 . . . . 82 SER C . 17212 1 780 . 1 1 83 83 SER CA C 13 58.761 0.1 . 1 . . . . 82 SER CA . 17212 1 781 . 1 1 83 83 SER CB C 13 64.369 0.1 . 1 . . . . 82 SER CB . 17212 1 782 . 1 1 83 83 SER N N 15 111.941 0.01 . 1 . . . . 82 SER N . 17212 1 783 . 1 1 84 84 ASN H H 1 7.908 0.01 . 1 . . . . 83 ASN HN . 17212 1 784 . 1 1 84 84 ASN HA H 1 4.323 0.01 . 1 . . . . 83 ASN HA . 17212 1 785 . 1 1 84 84 ASN HB2 H 1 3.182 0.01 . 2 . . . . 83 ASN HB2 . 17212 1 786 . 1 1 84 84 ASN HB3 H 1 2.645 0.01 . 2 . . . . 83 ASN HB3 . 17212 1 787 . 1 1 84 84 ASN C C 13 174.164 0.1 . 1 . . . . 83 ASN C . 17212 1 788 . 1 1 84 84 ASN CA C 13 53.880 0.1 . 1 . . . . 83 ASN CA . 17212 1 789 . 1 1 84 84 ASN CB C 13 37.853 0.1 . 1 . . . . 83 ASN CB . 17212 1 790 . 1 1 84 84 ASN N N 15 120.482 0.01 . 1 . . . . 83 ASN N . 17212 1 791 . 1 1 85 85 SER H H 1 8.229 0.01 . 1 . . . . 84 SER HN . 17212 1 792 . 1 1 85 85 SER HA H 1 4.568 0.01 . 1 . . . . 84 SER HA . 17212 1 793 . 1 1 85 85 SER HB2 H 1 3.624 0.01 . 2 . . . . 84 SER HB2 . 17212 1 794 . 1 1 85 85 SER HB3 H 1 3.624 0.01 . 2 . . . . 84 SER HB3 . 17212 1 795 . 1 1 85 85 SER C C 13 171.382 0.1 . 1 . . . . 84 SER C . 17212 1 796 . 1 1 85 85 SER CA C 13 57.683 0.1 . 1 . . . . 84 SER CA . 17212 1 797 . 1 1 85 85 SER CB C 13 65.974 0.1 . 1 . . . . 84 SER CB . 17212 1 798 . 1 1 85 85 SER N N 15 112.303 0.01 . 1 . . . . 84 SER N . 17212 1 799 . 1 1 86 86 LEU H H 1 8.353 0.01 . 1 . . . . 85 LEU HN . 17212 1 800 . 1 1 86 86 LEU HA H 1 4.245 0.01 . 1 . . . . 85 LEU HA . 17212 1 801 . 1 1 86 86 LEU HB2 H 1 1.668 0.01 . 2 . . . . 85 LEU HB2 . 17212 1 802 . 1 1 86 86 LEU HB3 H 1 1.668 0.01 . 2 . . . . 85 LEU HB3 . 17212 1 803 . 1 1 86 86 LEU HD11 H 1 0.897 0.01 . 2 . . . . 85 LEU HD1 . 17212 1 804 . 1 1 86 86 LEU HD12 H 1 0.897 0.01 . 2 . . . . 85 LEU HD1 . 17212 1 805 . 1 1 86 86 LEU HD13 H 1 0.897 0.01 . 2 . . . . 85 LEU HD1 . 17212 1 806 . 1 1 86 86 LEU HD21 H 1 0.897 0.01 . 2 . . . . 85 LEU HD2 . 17212 1 807 . 1 1 86 86 LEU HD22 H 1 0.897 0.01 . 2 . . . . 85 LEU HD2 . 17212 1 808 . 1 1 86 86 LEU HD23 H 1 0.897 0.01 . 2 . . . . 85 LEU HD2 . 17212 1 809 . 1 1 86 86 LEU C C 13 177.702 0.1 . 1 . . . . 85 LEU C . 17212 1 810 . 1 1 86 86 LEU CA C 13 56.230 0.1 . 1 . . . . 85 LEU CA . 17212 1 811 . 1 1 86 86 LEU CB C 13 41.450 0.1 . 1 . . . . 85 LEU CB . 17212 1 812 . 1 1 86 86 LEU CD1 C 13 24.560 0.1 . 2 . . . . 85 LEU CD1 . 17212 1 813 . 1 1 86 86 LEU CD2 C 13 24.560 0.1 . 2 . . . . 85 LEU CD2 . 17212 1 814 . 1 1 86 86 LEU CG C 13 27.460 0.1 . 1 . . . . 85 LEU CG . 17212 1 815 . 1 1 86 86 LEU N N 15 123.350 0.01 . 1 . . . . 85 LEU N . 17212 1 816 . 1 1 87 87 LEU H H 1 8.171 0.01 . 1 . . . . 86 LEU HN . 17212 1 817 . 1 1 87 87 LEU HA H 1 4.357 0.01 . 1 . . . . 86 LEU HA . 17212 1 818 . 1 1 87 87 LEU HB2 H 1 1.855 0.01 . 2 . . . . 86 LEU HB2 . 17212 1 819 . 1 1 87 87 LEU HB3 H 1 1.546 0.01 . 2 . . . . 86 LEU HB3 . 17212 1 820 . 1 1 87 87 LEU C C 13 176.413 0.1 . 1 . . . . 86 LEU C . 17212 1 821 . 1 1 87 87 LEU CA C 13 53.931 0.1 . 1 . . . . 86 LEU CA . 17212 1 822 . 1 1 87 87 LEU CB C 13 40.697 0.1 . 1 . . . . 86 LEU CB . 17212 1 823 . 1 1 87 87 LEU CD1 C 13 25.713 0.1 . . . . . . 86 LEU CD . 17212 1 824 . 1 1 87 87 LEU CD2 C 13 25.713 0.1 . . . . . . 86 LEU CD . 17212 1 825 . 1 1 87 87 LEU CG C 13 27.092 0.1 . 1 . . . . 86 LEU CG . 17212 1 826 . 1 1 87 87 LEU N N 15 118.141 0.01 . 1 . . . . 86 LEU N . 17212 1 827 . 1 1 88 88 ASN H H 1 7.243 0.01 . 1 . . . . 87 ASN HN . 17212 1 828 . 1 1 88 88 ASN HA H 1 4.386 0.01 . 1 . . . . 87 ASN HA . 17212 1 829 . 1 1 88 88 ASN HB2 H 1 1.885 0.01 . 2 . . . . 87 ASN HB2 . 17212 1 830 . 1 1 88 88 ASN HB3 H 1 1.607 0.01 . 2 . . . . 87 ASN HB3 . 17212 1 831 . 1 1 88 88 ASN N N 15 127.772 0.01 . 1 . . . . 87 ASN N . 17212 1 832 . 1 1 90 90 GLU H H 1 8.396 0.01 . 1 . . . . 89 GLU HN . 17212 1 833 . 1 1 90 90 GLU HA H 1 3.947 0.01 . 1 . . . . 89 GLU HA . 17212 1 834 . 1 1 90 90 GLU HB2 H 1 2.083 0.01 . 2 . . . . 89 GLU HB2 . 17212 1 835 . 1 1 90 90 GLU HB3 H 1 1.998 0.01 . 2 . . . . 89 GLU HB3 . 17212 1 836 . 1 1 90 90 GLU HG2 H 1 2.301 0.01 . 2 . . . . 89 GLU HG2 . 17212 1 837 . 1 1 90 90 GLU HG3 H 1 2.301 0.01 . 2 . . . . 89 GLU HG3 . 17212 1 838 . 1 1 90 90 GLU C C 13 178.126 0.1 . 1 . . . . 89 GLU C . 17212 1 839 . 1 1 90 90 GLU CA C 13 60.328 0.1 . 1 . . . . 89 GLU CA . 17212 1 840 . 1 1 90 90 GLU CB C 13 29.328 0.1 . 1 . . . . 89 GLU CB . 17212 1 841 . 1 1 90 90 GLU CG C 13 35.894 0.1 . 1 . . . . 89 GLU CG . 17212 1 842 . 1 1 90 90 GLU N N 15 119.605 0.01 . 1 . . . . 89 GLU N . 17212 1 843 . 1 1 91 91 ASN H H 1 8.422 0.01 . 1 . . . . 90 ASN HN . 17212 1 844 . 1 1 91 91 ASN HA H 1 4.655 0.01 . 1 . . . . 90 ASN HA . 17212 1 845 . 1 1 91 91 ASN HB2 H 1 2.631 0.01 . 2 . . . . 90 ASN HB2 . 17212 1 846 . 1 1 91 91 ASN HB3 H 1 2.464 0.01 . 2 . . . . 90 ASN HB3 . 17212 1 847 . 1 1 91 91 ASN HD21 H 1 6.917 0.01 . 2 . . . . 90 ASN HD21 . 17212 1 848 . 1 1 91 91 ASN HD22 H 1 7.159 0.01 . 2 . . . . 90 ASN HD22 . 17212 1 849 . 1 1 91 91 ASN C C 13 174.764 0.1 . 1 . . . . 90 ASN C . 17212 1 850 . 1 1 91 91 ASN CA C 13 55.298 0.1 . 1 . . . . 90 ASN CA . 17212 1 851 . 1 1 91 91 ASN CB C 13 37.997 0.1 . 1 . . . . 90 ASN CB . 17212 1 852 . 1 1 91 91 ASN N N 15 114.264 0.1 . 1 . . . . 90 ASN N . 17212 1 853 . 1 1 92 92 TYR H H 1 8.233 0.01 . 1 . . . . 91 TYR HN . 17212 1 854 . 1 1 92 92 TYR HA H 1 4.532 0.01 . 1 . . . . 91 TYR HA . 17212 1 855 . 1 1 92 92 TYR HB2 H 1 3.241 0.01 . 2 . . . . 91 TYR HB2 . 17212 1 856 . 1 1 92 92 TYR HB3 H 1 2.280 0.01 . 2 . . . . 91 TYR HB3 . 17212 1 857 . 1 1 92 92 TYR C C 13 174.321 0.1 . 1 . . . . 91 TYR C . 17212 1 858 . 1 1 92 92 TYR CA C 13 58.011 0.1 . 1 . . . . 91 TYR CA . 17212 1 859 . 1 1 92 92 TYR CB C 13 40.000 0.1 . 1 . . . . 91 TYR CB . 17212 1 860 . 1 1 92 92 TYR N N 15 117.984 0.01 . 1 . . . . 91 TYR N . 17212 1 861 . 1 1 93 93 LEU H H 1 6.891 0.01 . 1 . . . . 92 LEU HN . 17212 1 862 . 1 1 93 93 LEU HA H 1 4.835 0.01 . 1 . . . . 92 LEU HA . 17212 1 863 . 1 1 93 93 LEU HB2 H 1 1.663 0.01 . 2 . . . . 92 LEU HB2 . 17212 1 864 . 1 1 93 93 LEU HB3 H 1 1.521 0.01 . 2 . . . . 92 LEU HB3 . 17212 1 865 . 1 1 93 93 LEU HD11 H 1 0.949 0.01 . 2 . . . . 92 LEU HD1 . 17212 1 866 . 1 1 93 93 LEU HD12 H 1 0.949 0.01 . 2 . . . . 92 LEU HD1 . 17212 1 867 . 1 1 93 93 LEU HD13 H 1 0.949 0.01 . 2 . . . . 92 LEU HD1 . 17212 1 868 . 1 1 93 93 LEU HD21 H 1 0.949 0.01 . 2 . . . . 92 LEU HD2 . 17212 1 869 . 1 1 93 93 LEU HD22 H 1 0.949 0.01 . 2 . . . . 92 LEU HD2 . 17212 1 870 . 1 1 93 93 LEU HD23 H 1 0.949 0.01 . 2 . . . . 92 LEU HD2 . 17212 1 871 . 1 1 93 93 LEU C C 13 177.864 0.1 . 1 . . . . 92 LEU C . 17212 1 872 . 1 1 93 93 LEU CA C 13 55.360 0.1 . 1 . . . . 92 LEU CA . 17212 1 873 . 1 1 93 93 LEU CB C 13 42.529 0.1 . 1 . . . . 92 LEU CB . 17212 1 874 . 1 1 93 93 LEU CD1 C 13 23.009 0.1 . 2 . . . . 92 LEU CD1 . 17212 1 875 . 1 1 93 93 LEU CD2 C 13 23.009 0.1 . 2 . . . . 92 LEU CD2 . 17212 1 876 . 1 1 93 93 LEU CG C 13 25.975 0.1 . 1 . . . . 92 LEU CG . 17212 1 877 . 1 1 93 93 LEU N N 15 120.375 0.01 . 1 . . . . 92 LEU N . 17212 1 878 . 1 1 94 94 VAL H H 1 8.733 0.01 . 1 . . . . 93 VAL HN . 17212 1 879 . 1 1 94 94 VAL C C 13 174.850 0.1 . 1 . . . . 93 VAL C . 17212 1 880 . 1 1 94 94 VAL CA C 13 59.850 0.1 . 1 . . . . 93 VAL CA . 17212 1 881 . 1 1 94 94 VAL CB C 13 33.005 0.1 . 1 . . . . 93 VAL CB . 17212 1 882 . 1 1 94 94 VAL CG1 C 13 25.975 0.1 . 2 . . . . 93 VAL CG1 . 17212 1 883 . 1 1 94 94 VAL CG2 C 13 23.009 0.1 . 2 . . . . 93 VAL CG2 . 17212 1 884 . 1 1 94 94 VAL N N 15 126.676 0.01 . 1 . . . . 93 VAL N . 17212 1 885 . 1 1 95 95 PRO HA H 1 4.593 0.01 . 1 . . . . 94 PRO HA . 17212 1 886 . 1 1 95 95 PRO HB2 H 1 2.323 0.01 . 2 . . . . 94 PRO HB2 . 17212 1 887 . 1 1 95 95 PRO HB3 H 1 1.966 0.01 . 2 . . . . 94 PRO HB3 . 17212 1 888 . 1 1 95 95 PRO HD2 H 1 4.049 0.01 . 2 . . . . 94 PRO HD2 . 17212 1 889 . 1 1 95 95 PRO HD3 H 1 3.836 0.01 . 2 . . . . 94 PRO HD3 . 17212 1 890 . 1 1 95 95 PRO HG2 H 1 2.031 0.01 . 2 . . . . 94 PRO HG2 . 17212 1 891 . 1 1 95 95 PRO HG3 H 1 2.031 0.01 . 2 . . . . 94 PRO HG3 . 17212 1 892 . 1 1 95 95 PRO C C 13 176.416 0.1 . 1 . . . . 94 PRO C . 17212 1 893 . 1 1 95 95 PRO CA C 13 62.359 0.1 . 1 . . . . 94 PRO CA . 17212 1 894 . 1 1 95 95 PRO CB C 13 32.244 0.1 . 1 . . . . 94 PRO CB . 17212 1 895 . 1 1 95 95 PRO CD C 13 51.143 0.1 . 1 . . . . 94 PRO CD . 17212 1 896 . 1 1 95 95 PRO CG C 13 27.092 0.1 . 1 . . . . 94 PRO CG . 17212 1 897 . 1 1 96 96 TYR H H 1 8.684 0.01 . 1 . . . . 95 TYR HN . 17212 1 898 . 1 1 96 96 TYR HA H 1 4.669 0.01 . 1 . . . . 95 TYR HA . 17212 1 899 . 1 1 96 96 TYR HB2 H 1 3.088 0.01 . 2 . . . . 95 TYR HB2 . 17212 1 900 . 1 1 96 96 TYR HB3 H 1 2.753 0.01 . 2 . . . . 95 TYR HB3 . 17212 1 901 . 1 1 96 96 TYR C C 13 175.438 0.1 . 1 . . . . 95 TYR C . 17212 1 902 . 1 1 96 96 TYR CA C 13 57.045 0.1 . 1 . . . . 95 TYR CA . 17212 1 903 . 1 1 96 96 TYR CB C 13 39.114 0.1 . 1 . . . . 95 TYR CB . 17212 1 904 . 1 1 96 96 TYR N N 15 122.747 0.01 . 1 . . . . 95 TYR N . 17212 1 905 . 1 1 97 97 ASP H H 1 8.281 0.01 . 1 . . . . 96 ASP HN . 17212 1 906 . 1 1 97 97 ASP HA H 1 4.511 0.01 . 1 . . . . 96 ASP HA . 17212 1 907 . 1 1 97 97 ASP HB2 H 1 2.690 0.01 . 2 . . . . 96 ASP HB2 . 17212 1 908 . 1 1 97 97 ASP HB3 H 1 2.690 0.01 . 2 . . . . 96 ASP HB3 . 17212 1 909 . 1 1 97 97 ASP C C 13 174.585 0.1 . 1 . . . . 96 ASP C . 17212 1 910 . 1 1 97 97 ASP CA C 13 53.286 0.1 . 1 . . . . 96 ASP CA . 17212 1 911 . 1 1 97 97 ASP CB C 13 41.804 0.1 . 1 . . . . 96 ASP CB . 17212 1 912 . 1 1 97 97 ASP N N 15 127.828 0.01 . 1 . . . . 96 ASP N . 17212 1 913 . 1 1 98 98 ASN H H 1 7.653 0.01 . 1 . . . . 97 ASN HN . 17212 1 914 . 1 1 98 98 ASN HA H 1 4.274 0.01 . 1 . . . . 97 ASN HA . 17212 1 915 . 1 1 98 98 ASN HB2 H 1 2.647 0.01 . 2 . . . . 97 ASN HB2 . 17212 1 916 . 1 1 98 98 ASN HB3 H 1 2.647 0.01 . 2 . . . . 97 ASN HB3 . 17212 1 917 . 1 1 98 98 ASN C C 13 175.306 0.1 . 1 . . . . 97 ASN C . 17212 1 918 . 1 1 98 98 ASN CA C 13 53.053 0.1 . 1 . . . . 97 ASN CA . 17212 1 919 . 1 1 98 98 ASN CB C 13 38.181 0.1 . 1 . . . . 97 ASN CB . 17212 1 920 . 1 1 98 98 ASN N N 15 119.890 0.01 . 1 . . . . 97 ASN N . 17212 1 stop_ save_