data_16927 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16927 _Entry.Title ; Solution structure of SuR18C from Streptococcus thermophilus. Northeast Structural Genomics Consortium Target SuR18C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-13 _Entry.Accession_date 2010-05-13 _Entry.Last_release_date 2012-02-22 _Entry.Original_release_date 2012-02-22 _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 Yizhou Liu . . . 16927 2 Hsiau-Wei Lee . . . 16927 3 Rachel Belote . . . 16927 4 Colleen Ciccosanti . . . 16927 5 Keith Hamilton . . . 16927 6 T. Acton . . . 16927 7 R. Xiao . . . 16927 8 John Everett . . . 16927 9 Gaetano Montelione . . . 16927 10 James Prestegard . . . 16927 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16927 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta strand protein' . 16927 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16927 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 16927 '15N chemical shifts' 96 16927 '1H chemical shifts' 617 16927 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-02-22 2010-05-13 original author . 16927 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KXY 'BMRB Entry Tracking System' 16927 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16927 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Chemical shift assignment for SuR18C from Streptococcus thermophilus, Northeast Structural Genomics Consortium Target SuR18C' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yizhou Liu . . . 16927 1 2 Hsiau-Wei Lee . . . 16927 1 3 Rachel Belote . . . 16927 1 4 Colleen Ciccosanti . . . 16927 1 5 Keith Hamilton . . . 16927 1 6 T. Acton . . . 16927 1 7 R. Xiao . . . 16927 1 8 John Everett . . . 16927 1 9 Gaetano Montelione . . . 16927 1 10 James Prestegard . . . 16927 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16927 _Assembly.ID 1 _Assembly.Name protein_sur18c _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 'protein sur18c' 1 $entity A . yes native no no . . . 16927 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16927 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'protein sur18c' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KISLRKLSKSVPVKLELTGD KASNVSSISYSFDRGHVTIV GSQEAMDKIDSITVPVDISQ VTEDTSKTLELKAEGVTVQP STVKVNLKVTQKLEHHHHHH ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11015.632 _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 2KXY . "Solution Structure Of Sur18c From Streptococcus Thermophilus. Northeast Structural Genomics Consortium Target Sur18c" . . . . . 100.00 100 100.00 100.00 3.08e-62 . . . . 16927 1 2 no EMBL CCC20158 . "hypothetical protein STH8232_1477 [Streptococcus thermophilus JIM 8232]" . . . . . 92.00 321 98.91 100.00 2.51e-52 . . . . 16927 1 3 no EMBL CDA39160 . "putative uncharacterized protein [Streptococcus thermophilus CAG:236]" . . . . . 92.00 321 97.83 100.00 7.58e-52 . . . . 16927 1 4 no GB AAV60886 . "conserved hypothetical protein [Streptococcus thermophilus LMG 18311]" . . . . . 92.00 321 100.00 100.00 4.82e-53 . . . . 16927 1 5 no GB AAV62796 . "conserved hypothetical protein [Streptococcus thermophilus CNRZ1066]" . . . . . 92.00 321 98.91 100.00 2.51e-52 . . . . 16927 1 6 no GB ABJ66419 . "Uncharacterized protein conserved in bacteria [Streptococcus thermophilus LMD-9]" . . . . . 92.00 321 98.91 100.00 2.51e-52 . . . . 16927 1 7 no GB ADQ63244 . "Uncharacterized protein conserved in bacteria [Streptococcus thermophilus ND03]" . . . . . 92.00 321 98.91 100.00 2.51e-52 . . . . 16927 1 8 no GB AFJ83617 . "hypothetical protein Y1U_C1168 [Streptococcus thermophilus MN-ZLW-002]" . . . . . 92.00 321 98.91 100.00 2.51e-52 . . . . 16927 1 9 no REF WP_002951082 . "hypothetical protein [Streptococcus thermophilus]" . . . . . 92.00 321 98.91 100.00 2.51e-52 . . . . 16927 1 10 no REF WP_011226156 . "hypothetical protein [Streptococcus thermophilus]" . . . . . 92.00 321 100.00 100.00 4.82e-53 . . . . 16927 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 . LYS . 16927 1 2 . ILE . 16927 1 3 . SER . 16927 1 4 . LEU . 16927 1 5 . ARG . 16927 1 6 . LYS . 16927 1 7 . LEU . 16927 1 8 . SER . 16927 1 9 . LYS . 16927 1 10 . SER . 16927 1 11 . VAL . 16927 1 12 . PRO . 16927 1 13 . VAL . 16927 1 14 . LYS . 16927 1 15 . LEU . 16927 1 16 . GLU . 16927 1 17 . LEU . 16927 1 18 . THR . 16927 1 19 . GLY . 16927 1 20 . ASP . 16927 1 21 . LYS . 16927 1 22 . ALA . 16927 1 23 . SER . 16927 1 24 . ASN . 16927 1 25 . VAL . 16927 1 26 . SER . 16927 1 27 . SER . 16927 1 28 . ILE . 16927 1 29 . SER . 16927 1 30 . TYR . 16927 1 31 . SER . 16927 1 32 . PHE . 16927 1 33 . ASP . 16927 1 34 . ARG . 16927 1 35 . GLY . 16927 1 36 . HIS . 16927 1 37 . VAL . 16927 1 38 . THR . 16927 1 39 . ILE . 16927 1 40 . VAL . 16927 1 41 . GLY . 16927 1 42 . SER . 16927 1 43 . GLN . 16927 1 44 . GLU . 16927 1 45 . ALA . 16927 1 46 . MET . 16927 1 47 . ASP . 16927 1 48 . LYS . 16927 1 49 . ILE . 16927 1 50 . ASP . 16927 1 51 . SER . 16927 1 52 . ILE . 16927 1 53 . THR . 16927 1 54 . VAL . 16927 1 55 . PRO . 16927 1 56 . VAL . 16927 1 57 . ASP . 16927 1 58 . ILE . 16927 1 59 . SER . 16927 1 60 . GLN . 16927 1 61 . VAL . 16927 1 62 . THR . 16927 1 63 . GLU . 16927 1 64 . ASP . 16927 1 65 . THR . 16927 1 66 . SER . 16927 1 67 . LYS . 16927 1 68 . THR . 16927 1 69 . LEU . 16927 1 70 . GLU . 16927 1 71 . LEU . 16927 1 72 . LYS . 16927 1 73 . ALA . 16927 1 74 . GLU . 16927 1 75 . GLY . 16927 1 76 . VAL . 16927 1 77 . THR . 16927 1 78 . VAL . 16927 1 79 . GLN . 16927 1 80 . PRO . 16927 1 81 . SER . 16927 1 82 . THR . 16927 1 83 . VAL . 16927 1 84 . LYS . 16927 1 85 . VAL . 16927 1 86 . ASN . 16927 1 87 . LEU . 16927 1 88 . LYS . 16927 1 89 . VAL . 16927 1 90 . THR . 16927 1 91 . GLN . 16927 1 92 . LYS . 16927 1 93 . LEU . 16927 1 94 . GLU . 16927 1 95 . HIS . 16927 1 96 . HIS . 16927 1 97 . HIS . 16927 1 98 . HIS . 16927 1 99 . HIS . 16927 1 100 . HIS . 16927 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 . LYS 1 1 16927 1 . ILE 2 2 16927 1 . SER 3 3 16927 1 . LEU 4 4 16927 1 . ARG 5 5 16927 1 . LYS 6 6 16927 1 . LEU 7 7 16927 1 . SER 8 8 16927 1 . LYS 9 9 16927 1 . SER 10 10 16927 1 . VAL 11 11 16927 1 . PRO 12 12 16927 1 . VAL 13 13 16927 1 . LYS 14 14 16927 1 . LEU 15 15 16927 1 . GLU 16 16 16927 1 . LEU 17 17 16927 1 . THR 18 18 16927 1 . GLY 19 19 16927 1 . ASP 20 20 16927 1 . LYS 21 21 16927 1 . ALA 22 22 16927 1 . SER 23 23 16927 1 . ASN 24 24 16927 1 . VAL 25 25 16927 1 . SER 26 26 16927 1 . SER 27 27 16927 1 . ILE 28 28 16927 1 . SER 29 29 16927 1 . TYR 30 30 16927 1 . SER 31 31 16927 1 . PHE 32 32 16927 1 . ASP 33 33 16927 1 . ARG 34 34 16927 1 . GLY 35 35 16927 1 . HIS 36 36 16927 1 . VAL 37 37 16927 1 . THR 38 38 16927 1 . ILE 39 39 16927 1 . VAL 40 40 16927 1 . GLY 41 41 16927 1 . SER 42 42 16927 1 . GLN 43 43 16927 1 . GLU 44 44 16927 1 . ALA 45 45 16927 1 . MET 46 46 16927 1 . ASP 47 47 16927 1 . LYS 48 48 16927 1 . ILE 49 49 16927 1 . ASP 50 50 16927 1 . SER 51 51 16927 1 . ILE 52 52 16927 1 . THR 53 53 16927 1 . VAL 54 54 16927 1 . PRO 55 55 16927 1 . VAL 56 56 16927 1 . ASP 57 57 16927 1 . ILE 58 58 16927 1 . SER 59 59 16927 1 . GLN 60 60 16927 1 . VAL 61 61 16927 1 . THR 62 62 16927 1 . GLU 63 63 16927 1 . ASP 64 64 16927 1 . THR 65 65 16927 1 . SER 66 66 16927 1 . LYS 67 67 16927 1 . THR 68 68 16927 1 . LEU 69 69 16927 1 . GLU 70 70 16927 1 . LEU 71 71 16927 1 . LYS 72 72 16927 1 . ALA 73 73 16927 1 . GLU 74 74 16927 1 . GLY 75 75 16927 1 . VAL 76 76 16927 1 . THR 77 77 16927 1 . VAL 78 78 16927 1 . GLN 79 79 16927 1 . PRO 80 80 16927 1 . SER 81 81 16927 1 . THR 82 82 16927 1 . VAL 83 83 16927 1 . LYS 84 84 16927 1 . VAL 85 85 16927 1 . ASN 86 86 16927 1 . LEU 87 87 16927 1 . LYS 88 88 16927 1 . VAL 89 89 16927 1 . THR 90 90 16927 1 . GLN 91 91 16927 1 . LYS 92 92 16927 1 . LEU 93 93 16927 1 . GLU 94 94 16927 1 . HIS 95 95 16927 1 . HIS 96 96 16927 1 . HIS 97 97 16927 1 . HIS 98 98 16927 1 . HIS 99 99 16927 1 . HIS 100 100 16927 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 16927 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1308 organism . 'Streptococcus thermophilus' 'Streptococcus thermophilus' . . Eubacteria . Streptococcus thermophilus . . . . . . . . . . . . . . . . . . . . . 16927 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 16927 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16927 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16927 _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 'protein sur18c' '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.935 . . mM . . . . 16927 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16927 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16927 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16927 1 5 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16927 1 6 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16927 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 16927 _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' 0.3 . M 16927 1 pH 6.5 . pH 16927 1 pressure 1 . atm 16927 1 temperature 298 . K 16927 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16927 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16927 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16927 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16927 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16927 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16927 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16927 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16927 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16927 3 'peak picking' 16927 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16927 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16927 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16927 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16927 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16927 _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 Varian INOVA . 600 . . . 16927 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 16927 _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 . . . . . . . . . . . . . . . . 16927 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 10 '2D J-mod NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 11 '2D J-mod NCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 12 '2D J-mod NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 1 13 '2D J-mod NCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16927 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 16927 _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 16927 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 16927 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 16927 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 16927 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16927 1 2 '2D 1H-13C HSQC' . . . 16927 1 3 '3D CBCA(CO)NH' . . . 16927 1 4 '3D HNCACB' . . . 16927 1 5 '3D HNCO' . . . 16927 1 6 '3D HBHA(CO)NH' . . . 16927 1 7 '3D HCCH-TOCSY' . . . 16927 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 1 1 LYS HA H 1 4.388 0.001 . 1 . . . . 1 K HA . 16927 1 2 . 1 1 1 1 LYS HB2 H 1 1.742 0.017 . 2 . . . . 1 K QB . 16927 1 3 . 1 1 1 1 LYS HB3 H 1 1.742 0.017 . 2 . . . . 1 K QB . 16927 1 4 . 1 1 1 1 LYS HE2 H 1 2.973 0.000 . 2 . . . . 1 K QE . 16927 1 5 . 1 1 1 1 LYS HE3 H 1 2.973 0.000 . 2 . . . . 1 K QE . 16927 1 6 . 1 1 1 1 LYS C C 13 176.085 0.000 . 1 . . . . 1 K C . 16927 1 7 . 1 1 1 1 LYS CA C 13 56.480 0.009 . 1 . . . . 1 K CA . 16927 1 8 . 1 1 1 1 LYS CB C 13 33.245 0.026 . 1 . . . . 1 K CB . 16927 1 9 . 1 1 1 1 LYS CD C 13 29.120 0.000 . 1 . . . . 1 K CD . 16927 1 10 . 1 1 1 1 LYS CE C 13 42.276 0.000 . 1 . . . . 1 K CE . 16927 1 11 . 1 1 1 1 LYS CG C 13 24.553 0.000 . 1 . . . . 1 K CG . 16927 1 12 . 1 1 2 2 ILE H H 1 8.342 0.004 . 1 . . . . 2 I HN . 16927 1 13 . 1 1 2 2 ILE HA H 1 4.156 0.012 . 1 . . . . 2 I HA . 16927 1 14 . 1 1 2 2 ILE HB H 1 1.830 0.002 . 1 . . . . 2 I HB . 16927 1 15 . 1 1 2 2 ILE HD11 H 1 0.855 0.006 . . . . . . 2 I QD1 . 16927 1 16 . 1 1 2 2 ILE HD12 H 1 0.855 0.006 . . . . . . 2 I QD1 . 16927 1 17 . 1 1 2 2 ILE HD13 H 1 0.855 0.006 . . . . . . 2 I QD1 . 16927 1 18 . 1 1 2 2 ILE HG12 H 1 1.466 0.004 . 2 . . . . 2 I HG12 . 16927 1 19 . 1 1 2 2 ILE HG13 H 1 1.183 0.006 . 2 . . . . 2 I HG13 . 16927 1 20 . 1 1 2 2 ILE HG21 H 1 0.890 0.006 . . . . . . 2 I QG2 . 16927 1 21 . 1 1 2 2 ILE HG22 H 1 0.890 0.006 . . . . . . 2 I QG2 . 16927 1 22 . 1 1 2 2 ILE HG23 H 1 0.890 0.006 . . . . . . 2 I QG2 . 16927 1 23 . 1 1 2 2 ILE C C 13 176.062 0.000 . 1 . . . . 2 I C . 16927 1 24 . 1 1 2 2 ILE CA C 13 61.114 0.042 . 1 . . . . 2 I CA . 16927 1 25 . 1 1 2 2 ILE CB C 13 38.997 0.041 . 1 . . . . 2 I CB . 16927 1 26 . 1 1 2 2 ILE CD1 C 13 12.858 0.030 . 1 . . . . 2 I CD1 . 16927 1 27 . 1 1 2 2 ILE CG1 C 13 27.436 0.093 . 1 . . . . 2 I CG1 . 16927 1 28 . 1 1 2 2 ILE CG2 C 13 17.447 0.051 . 1 . . . . 2 I CG2 . 16927 1 29 . 1 1 2 2 ILE N N 15 123.767 0.050 . 1 . . . . 2 I N . 16927 1 30 . 1 1 3 3 SER H H 1 8.422 0.009 . 1 . . . . 3 S HN . 16927 1 31 . 1 1 3 3 SER HA H 1 4.466 0.008 . 1 . . . . 3 S HA . 16927 1 32 . 1 1 3 3 SER HB2 H 1 3.817 0.004 . 2 . . . . 3 S QB . 16927 1 33 . 1 1 3 3 SER HB3 H 1 3.817 0.004 . 2 . . . . 3 S QB . 16927 1 34 . 1 1 3 3 SER C C 13 174.298 0.000 . 1 . . . . 3 S C . 16927 1 35 . 1 1 3 3 SER CA C 13 58.033 0.023 . 1 . . . . 3 S CA . 16927 1 36 . 1 1 3 3 SER CB C 13 63.798 0.021 . 1 . . . . 3 S CB . 16927 1 37 . 1 1 3 3 SER N N 15 120.486 0.007 . 1 . . . . 3 S N . 16927 1 38 . 1 1 4 4 LEU H H 1 8.322 0.003 . 1 . . . . 4 L HN . 16927 1 39 . 1 1 4 4 LEU HA H 1 4.356 0.004 . 1 . . . . 4 L HA . 16927 1 40 . 1 1 4 4 LEU HB2 H 1 1.609 0.009 . 2 . . . . 4 L QB . 16927 1 41 . 1 1 4 4 LEU HB3 H 1 1.609 0.009 . 2 . . . . 4 L QB . 16927 1 42 . 1 1 4 4 LEU HD11 H 1 0.862 0.005 . . . . . . 4 L QD1 . 16927 1 43 . 1 1 4 4 LEU HD12 H 1 0.862 0.005 . . . . . . 4 L QD1 . 16927 1 44 . 1 1 4 4 LEU HD13 H 1 0.862 0.005 . . . . . . 4 L QD1 . 16927 1 45 . 1 1 4 4 LEU HD21 H 1 0.924 0.003 . . . . . . 4 L QD2 . 16927 1 46 . 1 1 4 4 LEU HD22 H 1 0.924 0.003 . . . . . . 4 L QD2 . 16927 1 47 . 1 1 4 4 LEU HD23 H 1 0.924 0.003 . . . . . . 4 L QD2 . 16927 1 48 . 1 1 4 4 LEU C C 13 177.071 0.000 . 1 . . . . 4 L C . 16927 1 49 . 1 1 4 4 LEU CA C 13 55.161 0.017 . 1 . . . . 4 L CA . 16927 1 50 . 1 1 4 4 LEU CB C 13 42.439 0.040 . 1 . . . . 4 L CB . 16927 1 51 . 1 1 4 4 LEU CD1 C 13 23.425 0.055 . 2 . . . . 4 L CD1 . 16927 1 52 . 1 1 4 4 LEU CD2 C 13 24.983 0.072 . 2 . . . . 4 L CD2 . 16927 1 53 . 1 1 4 4 LEU CG C 13 26.896 0.000 . 1 . . . . 4 L CG . 16927 1 54 . 1 1 4 4 LEU N N 15 125.184 0.006 . 1 . . . . 4 L N . 16927 1 55 . 1 1 5 5 ARG H H 1 8.195 0.004 . 1 . . . . 5 R HN . 16927 1 56 . 1 1 5 5 ARG HA H 1 4.283 0.005 . 1 . . . . 5 R HA . 16927 1 57 . 1 1 5 5 ARG HD2 H 1 3.186 0.004 . 2 . . . . 5 R QD . 16927 1 58 . 1 1 5 5 ARG HD3 H 1 3.186 0.004 . 2 . . . . 5 R QD . 16927 1 59 . 1 1 5 5 ARG C C 13 175.871 0.000 . 1 . . . . 5 R C . 16927 1 60 . 1 1 5 5 ARG CA C 13 56.137 0.051 . 1 . . . . 5 R CA . 16927 1 61 . 1 1 5 5 ARG CB C 13 30.920 0.047 . 1 . . . . 5 R CB . 16927 1 62 . 1 1 5 5 ARG CD C 13 43.445 0.000 . 1 . . . . 5 R CD . 16927 1 63 . 1 1 5 5 ARG CG C 13 27.152 0.000 . 1 . . . . 5 R CG . 16927 1 64 . 1 1 5 5 ARG N N 15 121.867 0.009 . 1 . . . . 5 R N . 16927 1 65 . 1 1 6 6 LYS H H 1 8.347 0.004 . 1 . . . . 6 K HN . 16927 1 66 . 1 1 6 6 LYS HA H 1 4.314 0.004 . 1 . . . . 6 K HA . 16927 1 67 . 1 1 6 6 LYS HB2 H 1 1.729 0.003 . 2 . . . . 6 K QB . 16927 1 68 . 1 1 6 6 LYS HB3 H 1 1.729 0.003 . 2 . . . . 6 K QB . 16927 1 69 . 1 1 6 6 LYS HE2 H 1 2.962 0.003 . 2 . . . . 6 K QE . 16927 1 70 . 1 1 6 6 LYS HE3 H 1 2.962 0.003 . 2 . . . . 6 K QE . 16927 1 71 . 1 1 6 6 LYS HG2 H 1 1.373 0.003 . 2 . . . . 6 K QG . 16927 1 72 . 1 1 6 6 LYS HG3 H 1 1.373 0.003 . 2 . . . . 6 K QG . 16927 1 73 . 1 1 6 6 LYS C C 13 175.865 0.000 . 1 . . . . 6 K C . 16927 1 74 . 1 1 6 6 LYS CA C 13 55.954 0.137 . 1 . . . . 6 K CA . 16927 1 75 . 1 1 6 6 LYS CB C 13 33.372 0.019 . 1 . . . . 6 K CB . 16927 1 76 . 1 1 6 6 LYS CD C 13 29.101 0.000 . 1 . . . . 6 K CD . 16927 1 77 . 1 1 6 6 LYS CE C 13 42.154 0.059 . 1 . . . . 6 K CE . 16927 1 78 . 1 1 6 6 LYS CG C 13 24.785 0.000 . 1 . . . . 6 K CG . 16927 1 79 . 1 1 6 6 LYS N N 15 123.302 0.029 . 1 . . . . 6 K N . 16927 1 80 . 1 1 7 7 LEU H H 1 8.413 0.007 . 1 . . . . 7 L HN . 16927 1 81 . 1 1 7 7 LEU HA H 1 4.518 0.004 . 1 . . . . 7 L HA . 16927 1 82 . 1 1 7 7 LEU HB2 H 1 1.644 0.004 . 2 . . . . 7 L HB2 . 16927 1 83 . 1 1 7 7 LEU HB3 H 1 1.732 0.001 . 2 . . . . 7 L HB3 . 16927 1 84 . 1 1 7 7 LEU HD11 H 1 0.886 0.013 . . . . . . 7 L QD1 . 16927 1 85 . 1 1 7 7 LEU HD12 H 1 0.886 0.013 . . . . . . 7 L QD1 . 16927 1 86 . 1 1 7 7 LEU HD13 H 1 0.886 0.013 . . . . . . 7 L QD1 . 16927 1 87 . 1 1 7 7 LEU C C 13 174.913 0.000 . 1 . . . . 7 L C . 16927 1 88 . 1 1 7 7 LEU CA C 13 54.747 0.018 . 1 . . . . 7 L CA . 16927 1 89 . 1 1 7 7 LEU CB C 13 43.131 0.047 . 1 . . . . 7 L CB . 16927 1 90 . 1 1 7 7 LEU CD1 C 13 23.258 0.000 . 2 . . . . 7 L CD1 . 16927 1 91 . 1 1 7 7 LEU CD2 C 13 25.330 0.000 . 2 . . . . 7 L CD2 . 16927 1 92 . 1 1 7 7 LEU CG C 13 27.183 0.000 . 1 . . . . 7 L CG . 16927 1 93 . 1 1 7 7 LEU N N 15 124.906 0.009 . 1 . . . . 7 L N . 16927 1 94 . 1 1 8 8 SER H H 1 7.755 0.004 . 1 . . . . 8 S HN . 16927 1 95 . 1 1 8 8 SER HA H 1 5.478 0.003 . 1 . . . . 8 S HA . 16927 1 96 . 1 1 8 8 SER HB2 H 1 3.704 0.005 . 2 . . . . 8 S QB . 16927 1 97 . 1 1 8 8 SER HB3 H 1 3.704 0.005 . 2 . . . . 8 S QB . 16927 1 98 . 1 1 8 8 SER C C 13 173.478 0.000 . 1 . . . . 8 S C . 16927 1 99 . 1 1 8 8 SER CA C 13 56.957 0.162 . 1 . . . . 8 S CA . 16927 1 100 . 1 1 8 8 SER CB C 13 66.634 0.021 . 1 . . . . 8 S CB . 16927 1 101 . 1 1 8 8 SER N N 15 111.496 0.011 . 1 . . . . 8 S N . 16927 1 102 . 1 1 9 9 LYS H H 1 8.620 0.004 . 1 . . . . 9 K HN . 16927 1 103 . 1 1 9 9 LYS HA H 1 4.604 0.004 . 1 . . . . 9 K HA . 16927 1 104 . 1 1 9 9 LYS HB2 H 1 1.799 0.005 . 2 . . . . 9 K QB . 16927 1 105 . 1 1 9 9 LYS HB3 H 1 1.799 0.005 . 2 . . . . 9 K QB . 16927 1 106 . 1 1 9 9 LYS HD2 H 1 1.689 0.000 . 2 . . . . 9 K QD . 16927 1 107 . 1 1 9 9 LYS HD3 H 1 1.689 0.000 . 2 . . . . 9 K QD . 16927 1 108 . 1 1 9 9 LYS HE2 H 1 2.901 0.000 . 2 . . . . 9 K QE . 16927 1 109 . 1 1 9 9 LYS HE3 H 1 2.901 0.000 . 2 . . . . 9 K QE . 16927 1 110 . 1 1 9 9 LYS HG2 H 1 1.257 0.000 . 2 . . . . 9 K QG . 16927 1 111 . 1 1 9 9 LYS HG3 H 1 1.257 0.000 . 2 . . . . 9 K QG . 16927 1 112 . 1 1 9 9 LYS C C 13 173.578 0.000 . 1 . . . . 9 K C . 16927 1 113 . 1 1 9 9 LYS CA C 13 56.023 0.033 . 1 . . . . 9 K CA . 16927 1 114 . 1 1 9 9 LYS CB C 13 36.885 0.046 . 1 . . . . 9 K CB . 16927 1 115 . 1 1 9 9 LYS CD C 13 30.551 0.000 . 1 . . . . 9 K CD . 16927 1 116 . 1 1 9 9 LYS CE C 13 42.834 0.000 . 1 . . . . 9 K CE . 16927 1 117 . 1 1 9 9 LYS CG C 13 24.394 0.000 . 1 . . . . 9 K CG . 16927 1 118 . 1 1 9 9 LYS N N 15 120.185 0.010 . 1 . . . . 9 K N . 16927 1 119 . 1 1 10 10 SER H H 1 8.529 0.004 . 1 . . . . 10 S HN . 16927 1 120 . 1 1 10 10 SER HA H 1 5.464 0.011 . 1 . . . . 10 S HA . 16927 1 121 . 1 1 10 10 SER HB2 H 1 3.655 0.006 . 2 . . . . 10 S QB . 16927 1 122 . 1 1 10 10 SER HB3 H 1 3.655 0.006 . 2 . . . . 10 S QB . 16927 1 123 . 1 1 10 10 SER C C 13 175.354 0.000 . 1 . . . . 10 S C . 16927 1 124 . 1 1 10 10 SER CA C 13 56.612 0.079 . 1 . . . . 10 S CA . 16927 1 125 . 1 1 10 10 SER CB C 13 63.745 0.018 . 1 . . . . 10 S CB . 16927 1 126 . 1 1 10 10 SER N N 15 119.099 0.009 . 1 . . . . 10 S N . 16927 1 127 . 1 1 11 11 VAL H H 1 9.274 0.003 . 1 . . . . 11 V HN . 16927 1 128 . 1 1 11 11 VAL HA H 1 5.014 0.004 . 1 . . . . 11 V HA . 16927 1 129 . 1 1 11 11 VAL HB H 1 1.987 0.005 . 1 . . . . 11 V HB . 16927 1 130 . 1 1 11 11 VAL HG11 H 1 0.552 0.005 . . . . . . 11 V QG1 . 16927 1 131 . 1 1 11 11 VAL HG12 H 1 0.552 0.005 . . . . . . 11 V QG1 . 16927 1 132 . 1 1 11 11 VAL HG13 H 1 0.552 0.005 . . . . . . 11 V QG1 . 16927 1 133 . 1 1 11 11 VAL HG21 H 1 0.780 0.005 . . . . . . 11 V QG2 . 16927 1 134 . 1 1 11 11 VAL HG22 H 1 0.780 0.005 . . . . . . 11 V QG2 . 16927 1 135 . 1 1 11 11 VAL HG23 H 1 0.780 0.005 . . . . . . 11 V QG2 . 16927 1 136 . 1 1 11 11 VAL CA C 13 57.305 0.046 . 1 . . . . 11 V CA . 16927 1 137 . 1 1 11 11 VAL CB C 13 34.132 0.064 . 1 . . . . 11 V CB . 16927 1 138 . 1 1 11 11 VAL N N 15 118.948 0.009 . 1 . . . . 11 V N . 16927 1 139 . 1 1 12 12 PRO HA H 1 4.640 0.009 . 1 . . . . 12 P HA . 16927 1 140 . 1 1 12 12 PRO HB2 H 1 1.667 0.006 . 2 . . . . 12 P HB2 . 16927 1 141 . 1 1 12 12 PRO HB3 H 1 1.978 0.005 . 2 . . . . 12 P HB3 . 16927 1 142 . 1 1 12 12 PRO HD2 H 1 3.708 0.005 . 2 . . . . 12 P HD2 . 16927 1 143 . 1 1 12 12 PRO HD3 H 1 4.179 0.005 . 2 . . . . 12 P HD3 . 16927 1 144 . 1 1 12 12 PRO HG3 H 1 2.069 0.001 . 2 . . . . 12 P HG3 . 16927 1 145 . 1 1 12 12 PRO C C 13 175.378 0.000 . 1 . . . . 12 P C . 16927 1 146 . 1 1 12 12 PRO CA C 13 61.765 0.074 . 1 . . . . 12 P CA . 16927 1 147 . 1 1 12 12 PRO CB C 13 32.739 0.057 . 1 . . . . 12 P CB . 16927 1 148 . 1 1 12 12 PRO CD C 13 50.304 0.040 . 1 . . . . 12 P CD . 16927 1 149 . 1 1 12 12 PRO CG C 13 26.945 0.000 . 1 . . . . 12 P CG . 16927 1 150 . 1 1 13 13 VAL H H 1 7.187 0.004 . 1 . . . . 13 V HN . 16927 1 151 . 1 1 13 13 VAL HA H 1 4.555 0.003 . 1 . . . . 13 V HA . 16927 1 152 . 1 1 13 13 VAL HB H 1 1.214 0.007 . 1 . . . . 13 V HB . 16927 1 153 . 1 1 13 13 VAL HG11 H 1 0.452 0.002 . . . . . . 13 V QG1 . 16927 1 154 . 1 1 13 13 VAL HG12 H 1 0.452 0.002 . . . . . . 13 V QG1 . 16927 1 155 . 1 1 13 13 VAL HG13 H 1 0.452 0.002 . . . . . . 13 V QG1 . 16927 1 156 . 1 1 13 13 VAL HG21 H 1 0.490 0.011 . . . . . . 13 V QG2 . 16927 1 157 . 1 1 13 13 VAL HG22 H 1 0.490 0.011 . . . . . . 13 V QG2 . 16927 1 158 . 1 1 13 13 VAL HG23 H 1 0.490 0.011 . . . . . . 13 V QG2 . 16927 1 159 . 1 1 13 13 VAL C C 13 174.531 0.000 . 1 . . . . 13 V C . 16927 1 160 . 1 1 13 13 VAL CA C 13 60.485 0.070 . 1 . . . . 13 V CA . 16927 1 161 . 1 1 13 13 VAL CB C 13 32.842 0.063 . 1 . . . . 13 V CB . 16927 1 162 . 1 1 13 13 VAL CG1 C 13 21.899 0.049 . 2 . . . . 13 V CG1 . 16927 1 163 . 1 1 13 13 VAL N N 15 118.452 0.013 . 1 . . . . 13 V N . 16927 1 164 . 1 1 14 14 LYS H H 1 9.018 0.004 . 1 . . . . 14 K HN . 16927 1 165 . 1 1 14 14 LYS HA H 1 4.749 0.004 . 1 . . . . 14 K HA . 16927 1 166 . 1 1 14 14 LYS HB2 H 1 1.768 0.000 . 2 . . . . 14 K QB . 16927 1 167 . 1 1 14 14 LYS HB3 H 1 1.768 0.000 . 2 . . . . 14 K QB . 16927 1 168 . 1 1 14 14 LYS HE2 H 1 2.882 0.000 . 2 . . . . 14 K QE . 16927 1 169 . 1 1 14 14 LYS HE3 H 1 2.882 0.000 . 2 . . . . 14 K QE . 16927 1 170 . 1 1 14 14 LYS HG2 H 1 1.280 0.007 . 2 . . . . 14 K QG . 16927 1 171 . 1 1 14 14 LYS HG3 H 1 1.280 0.007 . 2 . . . . 14 K QG . 16927 1 172 . 1 1 14 14 LYS C C 13 174.219 0.000 . 1 . . . . 14 K C . 16927 1 173 . 1 1 14 14 LYS CA C 13 54.475 0.012 . 1 . . . . 14 K CA . 16927 1 174 . 1 1 14 14 LYS CB C 13 35.820 0.039 . 1 . . . . 14 K CB . 16927 1 175 . 1 1 14 14 LYS CD C 13 29.181 0.000 . 1 . . . . 14 K CD . 16927 1 176 . 1 1 14 14 LYS CE C 13 42.210 0.000 . 1 . . . . 14 K CE . 16927 1 177 . 1 1 14 14 LYS CG C 13 24.758 0.000 . 1 . . . . 14 K CG . 16927 1 178 . 1 1 14 14 LYS N N 15 125.432 0.014 . 1 . . . . 14 K N . 16927 1 179 . 1 1 15 15 LEU H H 1 8.042 0.005 . 1 . . . . 15 L HN . 16927 1 180 . 1 1 15 15 LEU HA H 1 5.083 0.005 . 1 . . . . 15 L HA . 16927 1 181 . 1 1 15 15 LEU HB2 H 1 0.931 0.005 . 2 . . . . 15 L QB . 16927 1 182 . 1 1 15 15 LEU HB3 H 1 0.931 0.005 . 2 . . . . 15 L QB . 16927 1 183 . 1 1 15 15 LEU HD11 H 1 0.162 0.015 . . . . . . 15 L QD1 . 16927 1 184 . 1 1 15 15 LEU HD12 H 1 0.162 0.015 . . . . . . 15 L QD1 . 16927 1 185 . 1 1 15 15 LEU HD13 H 1 0.162 0.015 . . . . . . 15 L QD1 . 16927 1 186 . 1 1 15 15 LEU HD21 H 1 0.264 0.003 . . . . . . 15 L QD2 . 16927 1 187 . 1 1 15 15 LEU HD22 H 1 0.264 0.003 . . . . . . 15 L QD2 . 16927 1 188 . 1 1 15 15 LEU HD23 H 1 0.264 0.003 . . . . . . 15 L QD2 . 16927 1 189 . 1 1 15 15 LEU HG H 1 1.054 0.000 . 1 . . . . 15 L HG . 16927 1 190 . 1 1 15 15 LEU C C 13 176.863 0.000 . 1 . . . . 15 L C . 16927 1 191 . 1 1 15 15 LEU CA C 13 53.022 0.047 . 1 . . . . 15 L CA . 16927 1 192 . 1 1 15 15 LEU CB C 13 44.428 0.039 . 1 . . . . 15 L CB . 16927 1 193 . 1 1 15 15 LEU CD1 C 13 25.150 0.091 . 2 . . . . 15 L CD1 . 16927 1 194 . 1 1 15 15 LEU CD2 C 13 24.175 0.040 . 2 . . . . 15 L CD2 . 16927 1 195 . 1 1 15 15 LEU CG C 13 27.049 0.000 . 1 . . . . 15 L CG . 16927 1 196 . 1 1 15 15 LEU N N 15 119.950 0.011 . 1 . . . . 15 L N . 16927 1 197 . 1 1 16 16 GLU H H 1 8.035 0.005 . 1 . . . . 16 E HN . 16927 1 198 . 1 1 16 16 GLU HA H 1 4.467 0.003 . 1 . . . . 16 E HA . 16927 1 199 . 1 1 16 16 GLU HB2 H 1 1.607 0.003 . 2 . . . . 16 E QB . 16927 1 200 . 1 1 16 16 GLU HB3 H 1 1.607 0.003 . 2 . . . . 16 E QB . 16927 1 201 . 1 1 16 16 GLU C C 13 174.479 0.000 . 1 . . . . 16 E C . 16927 1 202 . 1 1 16 16 GLU CA C 13 54.751 0.056 . 1 . . . . 16 E CA . 16927 1 203 . 1 1 16 16 GLU CB C 13 32.005 0.010 . 1 . . . . 16 E CB . 16927 1 204 . 1 1 16 16 GLU CG C 13 35.834 0.000 . 1 . . . . 16 E CG . 16927 1 205 . 1 1 16 16 GLU N N 15 123.915 0.007 . 1 . . . . 16 E N . 16927 1 206 . 1 1 17 17 LEU H H 1 8.666 0.004 . 1 . . . . 17 L HN . 16927 1 207 . 1 1 17 17 LEU HA H 1 4.918 0.008 . 1 . . . . 17 L HA . 16927 1 208 . 1 1 17 17 LEU HB2 H 1 1.284 0.005 . 2 . . . . 17 L HB2 . 16927 1 209 . 1 1 17 17 LEU HB3 H 1 1.863 0.008 . 2 . . . . 17 L HB3 . 16927 1 210 . 1 1 17 17 LEU HD11 H 1 0.584 0.007 . . . . . . 17 L QD1 . 16927 1 211 . 1 1 17 17 LEU HD12 H 1 0.584 0.007 . . . . . . 17 L QD1 . 16927 1 212 . 1 1 17 17 LEU HD13 H 1 0.584 0.007 . . . . . . 17 L QD1 . 16927 1 213 . 1 1 17 17 LEU HD21 H 1 0.873 0.005 . . . . . . 17 L QD2 . 16927 1 214 . 1 1 17 17 LEU HD22 H 1 0.873 0.005 . . . . . . 17 L QD2 . 16927 1 215 . 1 1 17 17 LEU HD23 H 1 0.873 0.005 . . . . . . 17 L QD2 . 16927 1 216 . 1 1 17 17 LEU C C 13 177.214 0.000 . 1 . . . . 17 L C . 16927 1 217 . 1 1 17 17 LEU CA C 13 54.492 0.084 . 1 . . . . 17 L CA . 16927 1 218 . 1 1 17 17 LEU CB C 13 40.331 0.047 . 1 . . . . 17 L CB . 16927 1 219 . 1 1 17 17 LEU CD1 C 13 22.953 0.048 . 2 . . . . 17 L CD1 . 16927 1 220 . 1 1 17 17 LEU CD2 C 13 25.708 0.116 . 2 . . . . 17 L CD2 . 16927 1 221 . 1 1 17 17 LEU N N 15 126.512 0.011 . 1 . . . . 17 L N . 16927 1 222 . 1 1 18 18 THR H H 1 9.012 0.004 . 1 . . . . 18 T HN . 16927 1 223 . 1 1 18 18 THR HA H 1 4.657 0.004 . 1 . . . . 18 T HA . 16927 1 224 . 1 1 18 18 THR HB H 1 4.180 0.007 . 1 . . . . 18 T HB . 16927 1 225 . 1 1 18 18 THR HG21 H 1 1.009 0.006 . . . . . . 18 T QG2 . 16927 1 226 . 1 1 18 18 THR HG22 H 1 1.009 0.006 . . . . . . 18 T QG2 . 16927 1 227 . 1 1 18 18 THR HG23 H 1 1.009 0.006 . . . . . . 18 T QG2 . 16927 1 228 . 1 1 18 18 THR C C 13 172.974 0.000 . 1 . . . . 18 T C . 16927 1 229 . 1 1 18 18 THR CA C 13 60.509 0.056 . 1 . . . . 18 T CA . 16927 1 230 . 1 1 18 18 THR CB C 13 70.748 0.110 . 1 . . . . 18 T CB . 16927 1 231 . 1 1 18 18 THR CG2 C 13 21.142 0.094 . 1 . . . . 18 T CG2 . 16927 1 232 . 1 1 18 18 THR N N 15 119.389 0.014 . 1 . . . . 18 T N . 16927 1 233 . 1 1 19 19 GLY H H 1 8.162 0.004 . 1 . . . . 19 G HN . 16927 1 234 . 1 1 19 19 GLY HA2 H 1 3.626 0.003 . . . . . . 19 G HA1 . 16927 1 235 . 1 1 19 19 GLY HA3 H 1 4.353 0.004 . 2 . . . . 19 G HA2 . 16927 1 236 . 1 1 19 19 GLY C C 13 173.055 0.000 . 1 . . . . 19 G C . 16927 1 237 . 1 1 19 19 GLY CA C 13 43.627 0.063 . 1 . . . . 19 G CA . 16927 1 238 . 1 1 19 19 GLY N N 15 107.212 0.013 . 1 . . . . 19 G N . 16927 1 239 . 1 1 20 20 ASP H H 1 8.008 0.008 . 1 . . . . 20 D HN . 16927 1 240 . 1 1 20 20 ASP HA H 1 4.699 0.001 . 1 . . . . 20 D HA . 16927 1 241 . 1 1 20 20 ASP HB2 H 1 2.369 0.012 . 2 . . . . 20 D HB2 . 16927 1 242 . 1 1 20 20 ASP HB3 H 1 2.494 0.016 . 2 . . . . 20 D HB3 . 16927 1 243 . 1 1 20 20 ASP C C 13 175.601 0.000 . 1 . . . . 20 D C . 16927 1 244 . 1 1 20 20 ASP CA C 13 53.286 0.013 . 1 . . . . 20 D CA . 16927 1 245 . 1 1 20 20 ASP CB C 13 42.253 0.004 . 1 . . . . 20 D CB . 16927 1 246 . 1 1 20 20 ASP N N 15 118.302 0.006 . 1 . . . . 20 D N . 16927 1 247 . 1 1 21 21 LYS H H 1 8.198 0.004 . 1 . . . . 21 K HN . 16927 1 248 . 1 1 21 21 LYS HA H 1 3.881 0.003 . 1 . . . . 21 K HA . 16927 1 249 . 1 1 21 21 LYS HB2 H 1 1.659 0.009 . 2 . . . . 21 K QB . 16927 1 250 . 1 1 21 21 LYS HB3 H 1 1.659 0.009 . 2 . . . . 21 K QB . 16927 1 251 . 1 1 21 21 LYS HE2 H 1 2.993 0.001 . 2 . . . . 21 K QE . 16927 1 252 . 1 1 21 21 LYS HE3 H 1 2.993 0.001 . 2 . . . . 21 K QE . 16927 1 253 . 1 1 21 21 LYS HG2 H 1 1.429 0.020 . 2 . . . . 21 K QG . 16927 1 254 . 1 1 21 21 LYS HG3 H 1 1.429 0.020 . 2 . . . . 21 K QG . 16927 1 255 . 1 1 21 21 LYS C C 13 176.800 0.000 . 1 . . . . 21 K C . 16927 1 256 . 1 1 21 21 LYS CA C 13 56.821 0.035 . 1 . . . . 21 K CA . 16927 1 257 . 1 1 21 21 LYS CB C 13 32.672 0.075 . 1 . . . . 21 K CB . 16927 1 258 . 1 1 21 21 LYS CD C 13 29.145 0.000 . 1 . . . . 21 K CD . 16927 1 259 . 1 1 21 21 LYS CE C 13 41.409 0.000 . 1 . . . . 21 K CE . 16927 1 260 . 1 1 21 21 LYS CG C 13 24.732 0.000 . 1 . . . . 21 K CG . 16927 1 261 . 1 1 21 21 LYS N N 15 121.367 0.015 . 1 . . . . 21 K N . 16927 1 262 . 1 1 22 22 ALA H H 1 9.438 0.004 . 1 . . . . 22 A HN . 16927 1 263 . 1 1 22 22 ALA HA H 1 4.296 0.004 . 1 . . . . 22 A HA . 16927 1 264 . 1 1 22 22 ALA HB1 H 1 1.407 0.003 . . . . . . 22 A QB . 16927 1 265 . 1 1 22 22 ALA HB2 H 1 1.407 0.003 . . . . . . 22 A QB . 16927 1 266 . 1 1 22 22 ALA HB3 H 1 1.407 0.003 . . . . . . 22 A QB . 16927 1 267 . 1 1 22 22 ALA C C 13 179.732 0.000 . 1 . . . . 22 A C . 16927 1 268 . 1 1 22 22 ALA CA C 13 52.243 0.024 . 1 . . . . 22 A CA . 16927 1 269 . 1 1 22 22 ALA CB C 13 19.382 0.078 . 1 . . . . 22 A CB . 16927 1 270 . 1 1 22 22 ALA N N 15 127.008 0.016 . 1 . . . . 22 A N . 16927 1 271 . 1 1 23 23 SER H H 1 8.649 0.005 . 1 . . . . 23 S HN . 16927 1 272 . 1 1 23 23 SER HA H 1 4.068 0.007 . 1 . . . . 23 S HA . 16927 1 273 . 1 1 23 23 SER HB2 H 1 3.929 0.018 . 2 . . . . 23 S QB . 16927 1 274 . 1 1 23 23 SER HB3 H 1 3.929 0.018 . 2 . . . . 23 S QB . 16927 1 275 . 1 1 23 23 SER C C 13 174.613 0.000 . 1 . . . . 23 S C . 16927 1 276 . 1 1 23 23 SER CA C 13 61.509 0.029 . 1 . . . . 23 S CA . 16927 1 277 . 1 1 23 23 SER CB C 13 63.272 0.036 . 1 . . . . 23 S CB . 16927 1 278 . 1 1 23 23 SER N N 15 114.607 0.015 . 1 . . . . 23 S N . 16927 1 279 . 1 1 24 24 ASN H H 1 8.341 0.005 . 1 . . . . 24 N HN . 16927 1 280 . 1 1 24 24 ASN HA H 1 4.725 0.004 . 1 . . . . 24 N HA . 16927 1 281 . 1 1 24 24 ASN HB2 H 1 2.560 0.004 . 2 . . . . 24 N HB2 . 16927 1 282 . 1 1 24 24 ASN HB3 H 1 3.028 0.005 . 2 . . . . 24 N HB3 . 16927 1 283 . 1 1 24 24 ASN HD21 H 1 7.178 0.008 . 2 . . . . 24 N HD21 . 16927 1 284 . 1 1 24 24 ASN HD22 H 1 7.919 0.002 . 2 . . . . 24 N HD22 . 16927 1 285 . 1 1 24 24 ASN C C 13 173.998 0.000 . 1 . . . . 24 N C . 16927 1 286 . 1 1 24 24 ASN CA C 13 53.772 0.016 . 1 . . . . 24 N CA . 16927 1 287 . 1 1 24 24 ASN CB C 13 38.358 0.029 . 1 . . . . 24 N CB . 16927 1 288 . 1 1 24 24 ASN N N 15 114.321 0.008 . 1 . . . . 24 N N . 16927 1 289 . 1 1 24 24 ASN ND2 N 15 116.328 0.046 . 1 . . . . 24 N ND2 . 16927 1 290 . 1 1 25 25 VAL H H 1 7.760 0.004 . 1 . . . . 25 V HN . 16927 1 291 . 1 1 25 25 VAL HA H 1 3.904 0.008 . 1 . . . . 25 V HA . 16927 1 292 . 1 1 25 25 VAL HB H 1 2.183 0.009 . 1 . . . . 25 V HB . 16927 1 293 . 1 1 25 25 VAL HG11 H 1 0.790 0.004 . . . . . . 25 V QG1 . 16927 1 294 . 1 1 25 25 VAL HG12 H 1 0.790 0.004 . . . . . . 25 V QG1 . 16927 1 295 . 1 1 25 25 VAL HG13 H 1 0.790 0.004 . . . . . . 25 V QG1 . 16927 1 296 . 1 1 25 25 VAL HG21 H 1 0.893 0.001 . . . . . . 25 V QG2 . 16927 1 297 . 1 1 25 25 VAL HG22 H 1 0.893 0.001 . . . . . . 25 V QG2 . 16927 1 298 . 1 1 25 25 VAL HG23 H 1 0.893 0.001 . . . . . . 25 V QG2 . 16927 1 299 . 1 1 25 25 VAL C C 13 174.899 0.000 . 1 . . . . 25 V C . 16927 1 300 . 1 1 25 25 VAL CA C 13 63.388 0.044 . 1 . . . . 25 V CA . 16927 1 301 . 1 1 25 25 VAL CB C 13 33.446 0.049 . 1 . . . . 25 V CB . 16927 1 302 . 1 1 25 25 VAL CG1 C 13 21.795 0.000 . 2 . . . . 25 V CG1 . 16927 1 303 . 1 1 25 25 VAL N N 15 122.529 0.014 . 1 . . . . 25 V N . 16927 1 304 . 1 1 26 26 SER H H 1 9.044 0.005 . 1 . . . . 26 S HN . 16927 1 305 . 1 1 26 26 SER HA H 1 4.424 0.005 . 1 . . . . 26 S HA . 16927 1 306 . 1 1 26 26 SER HB2 H 1 3.561 0.003 . 2 . . . . 26 S QB . 16927 1 307 . 1 1 26 26 SER HB3 H 1 3.561 0.003 . 2 . . . . 26 S QB . 16927 1 308 . 1 1 26 26 SER C C 13 175.054 0.000 . 1 . . . . 26 S C . 16927 1 309 . 1 1 26 26 SER CA C 13 59.154 0.041 . 1 . . . . 26 S CA . 16927 1 310 . 1 1 26 26 SER CB C 13 64.056 0.055 . 1 . . . . 26 S CB . 16927 1 311 . 1 1 26 26 SER N N 15 121.122 0.009 . 1 . . . . 26 S N . 16927 1 312 . 1 1 27 27 SER H H 1 7.612 0.006 . 1 . . . . 27 S HN . 16927 1 313 . 1 1 27 27 SER HA H 1 4.514 0.004 . 1 . . . . 27 S HA . 16927 1 314 . 1 1 27 27 SER HB2 H 1 3.775 0.004 . 2 . . . . 27 S QB . 16927 1 315 . 1 1 27 27 SER HB3 H 1 3.775 0.004 . 2 . . . . 27 S QB . 16927 1 316 . 1 1 27 27 SER C C 13 171.225 0.000 . 1 . . . . 27 S C . 16927 1 317 . 1 1 27 27 SER CA C 13 57.748 0.015 . 1 . . . . 27 S CA . 16927 1 318 . 1 1 27 27 SER CB C 13 64.915 0.049 . 1 . . . . 27 S CB . 16927 1 319 . 1 1 27 27 SER N N 15 112.133 0.008 . 1 . . . . 27 S N . 16927 1 320 . 1 1 28 28 ILE H H 1 8.327 0.004 . 1 . . . . 28 I HN . 16927 1 321 . 1 1 28 28 ILE HA H 1 4.926 0.006 . 1 . . . . 28 I HA . 16927 1 322 . 1 1 28 28 ILE HB H 1 1.527 0.004 . 1 . . . . 28 I HB . 16927 1 323 . 1 1 28 28 ILE HD11 H 1 0.928 0.005 . . . . . . 28 I QD1 . 16927 1 324 . 1 1 28 28 ILE HD12 H 1 0.928 0.005 . . . . . . 28 I QD1 . 16927 1 325 . 1 1 28 28 ILE HD13 H 1 0.928 0.005 . . . . . . 28 I QD1 . 16927 1 326 . 1 1 28 28 ILE HG12 H 1 1.479 0.002 . . . . . . 28 I QG1 . 16927 1 327 . 1 1 28 28 ILE HG13 H 1 1.479 0.002 . . . . . . 28 I QG1 . 16927 1 328 . 1 1 28 28 ILE HG21 H 1 0.806 0.005 . . . . . . 28 I QG2 . 16927 1 329 . 1 1 28 28 ILE HG22 H 1 0.806 0.005 . . . . . . 28 I QG2 . 16927 1 330 . 1 1 28 28 ILE HG23 H 1 0.806 0.005 . . . . . . 28 I QG2 . 16927 1 331 . 1 1 28 28 ILE C C 13 174.416 0.000 . 1 . . . . 28 I C . 16927 1 332 . 1 1 28 28 ILE CA C 13 60.509 0.024 . 1 . . . . 28 I CA . 16927 1 333 . 1 1 28 28 ILE CB C 13 42.047 0.044 . 1 . . . . 28 I CB . 16927 1 334 . 1 1 28 28 ILE CD1 C 13 14.084 0.052 . 1 . . . . 28 I CD1 . 16927 1 335 . 1 1 28 28 ILE CG1 C 13 28.707 0.000 . 1 . . . . 28 I CG1 . 16927 1 336 . 1 1 28 28 ILE CG2 C 13 17.661 0.141 . 1 . . . . 28 I CG2 . 16927 1 337 . 1 1 28 28 ILE N N 15 120.988 0.022 . 1 . . . . 28 I N . 16927 1 338 . 1 1 29 29 SER H H 1 9.029 0.008 . 1 . . . . 29 S HN . 16927 1 339 . 1 1 29 29 SER HA H 1 4.777 0.007 . 1 . . . . 29 S HA . 16927 1 340 . 1 1 29 29 SER HB2 H 1 3.777 0.015 . 2 . . . . 29 S QB . 16927 1 341 . 1 1 29 29 SER HB3 H 1 3.777 0.015 . 2 . . . . 29 S QB . 16927 1 342 . 1 1 29 29 SER C C 13 172.328 0.000 . 1 . . . . 29 S C . 16927 1 343 . 1 1 29 29 SER CA C 13 56.596 0.031 . 1 . . . . 29 S CA . 16927 1 344 . 1 1 29 29 SER CB C 13 65.571 0.054 . 1 . . . . 29 S CB . 16927 1 345 . 1 1 29 29 SER N N 15 122.311 0.016 . 1 . . . . 29 S N . 16927 1 346 . 1 1 30 30 TYR H H 1 8.127 0.004 . 1 . . . . 30 Y HN . 16927 1 347 . 1 1 30 30 TYR HA H 1 5.885 0.005 . 1 . . . . 30 Y HA . 16927 1 348 . 1 1 30 30 TYR HB2 H 1 2.548 0.009 . 2 . . . . 30 Y HB2 . 16927 1 349 . 1 1 30 30 TYR HB3 H 1 2.640 0.008 . 2 . . . . 30 Y HB3 . 16927 1 350 . 1 1 30 30 TYR C C 13 173.975 0.000 . 1 . . . . 30 Y C . 16927 1 351 . 1 1 30 30 TYR CA C 13 55.465 0.022 . 1 . . . . 30 Y CA . 16927 1 352 . 1 1 30 30 TYR CB C 13 42.207 0.031 . 1 . . . . 30 Y CB . 16927 1 353 . 1 1 30 30 TYR N N 15 116.603 0.014 . 1 . . . . 30 Y N . 16927 1 354 . 1 1 31 31 SER H H 1 8.393 0.004 . 1 . . . . 31 S HN . 16927 1 355 . 1 1 31 31 SER HA H 1 4.597 0.002 . 1 . . . . 31 S HA . 16927 1 356 . 1 1 31 31 SER HB2 H 1 3.867 0.018 . 2 . . . . 31 S QB . 16927 1 357 . 1 1 31 31 SER HB3 H 1 3.867 0.018 . 2 . . . . 31 S QB . 16927 1 358 . 1 1 31 31 SER C C 13 172.274 0.000 . 1 . . . . 31 S C . 16927 1 359 . 1 1 31 31 SER CA C 13 57.069 0.061 . 1 . . . . 31 S CA . 16927 1 360 . 1 1 31 31 SER CB C 13 65.803 0.026 . 1 . . . . 31 S CB . 16927 1 361 . 1 1 31 31 SER N N 15 112.867 0.010 . 1 . . . . 31 S N . 16927 1 362 . 1 1 32 32 PHE H H 1 8.871 0.004 . 1 . . . . 32 F HN . 16927 1 363 . 1 1 32 32 PHE HA H 1 5.472 0.005 . 1 . . . . 32 F HA . 16927 1 364 . 1 1 32 32 PHE HB2 H 1 2.710 0.003 . 2 . . . . 32 F HB2 . 16927 1 365 . 1 1 32 32 PHE HB3 H 1 3.177 0.007 . 2 . . . . 32 F HB3 . 16927 1 366 . 1 1 32 32 PHE C C 13 176.520 0.000 . 1 . . . . 32 F C . 16927 1 367 . 1 1 32 32 PHE CA C 13 56.414 0.087 . 1 . . . . 32 F CA . 16927 1 368 . 1 1 32 32 PHE CB C 13 42.314 0.033 . 1 . . . . 32 F CB . 16927 1 369 . 1 1 32 32 PHE N N 15 120.169 0.019 . 1 . . . . 32 F N . 16927 1 370 . 1 1 33 33 ASP H H 1 9.026 0.005 . 1 . . . . 33 D HN . 16927 1 371 . 1 1 33 33 ASP HA H 1 4.450 0.006 . 1 . . . . 33 D HA . 16927 1 372 . 1 1 33 33 ASP HB2 H 1 2.796 0.004 . 2 . . . . 33 D QB . 16927 1 373 . 1 1 33 33 ASP HB3 H 1 2.796 0.004 . 2 . . . . 33 D QB . 16927 1 374 . 1 1 33 33 ASP C C 13 176.737 0.000 . 1 . . . . 33 D C . 16927 1 375 . 1 1 33 33 ASP CA C 13 56.265 0.051 . 1 . . . . 33 D CA . 16927 1 376 . 1 1 33 33 ASP CB C 13 40.200 0.042 . 1 . . . . 33 D CB . 16927 1 377 . 1 1 33 33 ASP N N 15 121.734 0.014 . 1 . . . . 33 D N . 16927 1 378 . 1 1 34 34 ARG H H 1 7.605 0.006 . 1 . . . . 34 R HN . 16927 1 379 . 1 1 34 34 ARG HA H 1 4.509 0.005 . 1 . . . . 34 R HA . 16927 1 380 . 1 1 34 34 ARG HB2 H 1 1.782 0.006 . 2 . . . . 34 R HB2 . 16927 1 381 . 1 1 34 34 ARG HB3 H 1 1.842 0.002 . 2 . . . . 34 R HB3 . 16927 1 382 . 1 1 34 34 ARG HD2 H 1 3.224 0.006 . 2 . . . . 34 R QD . 16927 1 383 . 1 1 34 34 ARG HD3 H 1 3.224 0.006 . 2 . . . . 34 R QD . 16927 1 384 . 1 1 34 34 ARG HG2 H 1 1.614 0.007 . 2 . . . . 34 R QG . 16927 1 385 . 1 1 34 34 ARG HG3 H 1 1.614 0.007 . 2 . . . . 34 R QG . 16927 1 386 . 1 1 34 34 ARG C C 13 173.973 0.000 . 1 . . . . 34 R C . 16927 1 387 . 1 1 34 34 ARG CA C 13 55.029 0.030 . 1 . . . . 34 R CA . 16927 1 388 . 1 1 34 34 ARG CB C 13 31.480 0.050 . 1 . . . . 34 R CB . 16927 1 389 . 1 1 34 34 ARG CD C 13 43.486 0.003 . 1 . . . . 34 R CD . 16927 1 390 . 1 1 34 34 ARG CG C 13 26.634 0.027 . 1 . . . . 34 R CG . 16927 1 391 . 1 1 34 34 ARG N N 15 119.913 0.013 . 1 . . . . 34 R N . 16927 1 392 . 1 1 35 35 GLY H H 1 8.323 0.004 . 1 . . . . 35 G HN . 16927 1 393 . 1 1 35 35 GLY HA2 H 1 3.659 0.006 . . . . . . 35 G HA1 . 16927 1 394 . 1 1 35 35 GLY HA3 H 1 3.933 0.003 . 2 . . . . 35 G HA2 . 16927 1 395 . 1 1 35 35 GLY C C 13 173.872 0.000 . 1 . . . . 35 G C . 16927 1 396 . 1 1 35 35 GLY CA C 13 45.501 0.025 . 1 . . . . 35 G CA . 16927 1 397 . 1 1 35 35 GLY N N 15 107.817 0.014 . 1 . . . . 35 G N . 16927 1 398 . 1 1 36 36 HIS H H 1 7.550 0.004 . 1 . . . . 36 H HN . 16927 1 399 . 1 1 36 36 HIS HA H 1 5.187 0.004 . 1 . . . . 36 H HA . 16927 1 400 . 1 1 36 36 HIS HB2 H 1 2.748 0.035 . 2 . . . . 36 H HB2 . 16927 1 401 . 1 1 36 36 HIS HB3 H 1 2.894 0.017 . 2 . . . . 36 H HB3 . 16927 1 402 . 1 1 36 36 HIS C C 13 173.986 0.000 . 1 . . . . 36 H C . 16927 1 403 . 1 1 36 36 HIS CA C 13 55.385 0.049 . 1 . . . . 36 H CA . 16927 1 404 . 1 1 36 36 HIS CB C 13 33.036 0.065 . 1 . . . . 36 H CB . 16927 1 405 . 1 1 36 36 HIS N N 15 117.368 0.013 . 1 . . . . 36 H N . 16927 1 406 . 1 1 37 37 VAL H H 1 8.929 0.007 . 1 . . . . 37 V HN . 16927 1 407 . 1 1 37 37 VAL HA H 1 4.677 0.005 . 1 . . . . 37 V HA . 16927 1 408 . 1 1 37 37 VAL HB H 1 2.014 0.006 . 1 . . . . 37 V HB . 16927 1 409 . 1 1 37 37 VAL HG11 H 1 0.427 0.010 . . . . . . 37 V QG1 . 16927 1 410 . 1 1 37 37 VAL HG12 H 1 0.427 0.010 . . . . . . 37 V QG1 . 16927 1 411 . 1 1 37 37 VAL HG13 H 1 0.427 0.010 . . . . . . 37 V QG1 . 16927 1 412 . 1 1 37 37 VAL HG21 H 1 0.568 0.008 . . . . . . 37 V QG2 . 16927 1 413 . 1 1 37 37 VAL HG22 H 1 0.568 0.008 . . . . . . 37 V QG2 . 16927 1 414 . 1 1 37 37 VAL HG23 H 1 0.568 0.008 . . . . . . 37 V QG2 . 16927 1 415 . 1 1 37 37 VAL C C 13 173.759 0.000 . 1 . . . . 37 V C . 16927 1 416 . 1 1 37 37 VAL CA C 13 59.540 0.020 . 1 . . . . 37 V CA . 16927 1 417 . 1 1 37 37 VAL CB C 13 34.608 0.075 . 1 . . . . 37 V CB . 16927 1 418 . 1 1 37 37 VAL CG1 C 13 18.372 0.058 . 2 . . . . 37 V CG1 . 16927 1 419 . 1 1 37 37 VAL CG2 C 13 21.681 0.070 . 2 . . . . 37 V CG2 . 16927 1 420 . 1 1 37 37 VAL N N 15 113.468 0.012 . 1 . . . . 37 V N . 16927 1 421 . 1 1 38 38 THR H H 1 8.495 0.005 . 1 . . . . 38 T HN . 16927 1 422 . 1 1 38 38 THR HA H 1 5.078 0.007 . 1 . . . . 38 T HA . 16927 1 423 . 1 1 38 38 THR HB H 1 4.080 0.004 . 1 . . . . 38 T HB . 16927 1 424 . 1 1 38 38 THR HG21 H 1 1.093 0.009 . . . . . . 38 T QG2 . 16927 1 425 . 1 1 38 38 THR HG22 H 1 1.093 0.009 . . . . . . 38 T QG2 . 16927 1 426 . 1 1 38 38 THR HG23 H 1 1.093 0.009 . . . . . . 38 T QG2 . 16927 1 427 . 1 1 38 38 THR C C 13 173.917 0.000 . 1 . . . . 38 T C . 16927 1 428 . 1 1 38 38 THR CA C 13 62.073 0.035 . 1 . . . . 38 T CA . 16927 1 429 . 1 1 38 38 THR CB C 13 70.627 0.108 . 1 . . . . 38 T CB . 16927 1 430 . 1 1 38 38 THR CG2 C 13 22.329 0.128 . 1 . . . . 38 T CG2 . 16927 1 431 . 1 1 38 38 THR N N 15 116.923 0.014 . 1 . . . . 38 T N . 16927 1 432 . 1 1 39 39 ILE H H 1 9.262 0.011 . 1 . . . . 39 I HN . 16927 1 433 . 1 1 39 39 ILE HA H 1 5.498 0.005 . 1 . . . . 39 I HA . 16927 1 434 . 1 1 39 39 ILE HB H 1 1.508 0.003 . 1 . . . . 39 I HB . 16927 1 435 . 1 1 39 39 ILE HD11 H 1 0.766 0.006 . . . . . . 39 I QD1 . 16927 1 436 . 1 1 39 39 ILE HD12 H 1 0.766 0.006 . . . . . . 39 I QD1 . 16927 1 437 . 1 1 39 39 ILE HD13 H 1 0.766 0.006 . . . . . . 39 I QD1 . 16927 1 438 . 1 1 39 39 ILE HG12 H 1 1.163 0.002 . . . . . . 39 I QG1 . 16927 1 439 . 1 1 39 39 ILE HG13 H 1 1.163 0.002 . . . . . . 39 I QG1 . 16927 1 440 . 1 1 39 39 ILE HG21 H 1 0.734 0.008 . . . . . . 39 I QG2 . 16927 1 441 . 1 1 39 39 ILE HG22 H 1 0.734 0.008 . . . . . . 39 I QG2 . 16927 1 442 . 1 1 39 39 ILE HG23 H 1 0.734 0.008 . . . . . . 39 I QG2 . 16927 1 443 . 1 1 39 39 ILE C C 13 174.292 0.000 . 1 . . . . 39 I C . 16927 1 444 . 1 1 39 39 ILE CA C 13 58.536 0.030 . 1 . . . . 39 I CA . 16927 1 445 . 1 1 39 39 ILE CB C 13 40.862 0.063 . 1 . . . . 39 I CB . 16927 1 446 . 1 1 39 39 ILE CD1 C 13 15.114 0.166 . 1 . . . . 39 I CD1 . 16927 1 447 . 1 1 39 39 ILE CG1 C 13 25.216 0.000 . 1 . . . . 39 I CG1 . 16927 1 448 . 1 1 39 39 ILE CG2 C 13 18.858 0.055 . 1 . . . . 39 I CG2 . 16927 1 449 . 1 1 39 39 ILE N N 15 119.794 0.018 . 1 . . . . 39 I N . 16927 1 450 . 1 1 40 40 VAL H H 1 8.121 0.005 . 1 . . . . 40 V HN . 16927 1 451 . 1 1 40 40 VAL HA H 1 4.813 0.012 . 1 . . . . 40 V HA . 16927 1 452 . 1 1 40 40 VAL HB H 1 1.863 0.004 . 1 . . . . 40 V HB . 16927 1 453 . 1 1 40 40 VAL HG11 H 1 0.779 0.010 . . . . . . 40 V QG1 . 16927 1 454 . 1 1 40 40 VAL HG12 H 1 0.779 0.010 . . . . . . 40 V QG1 . 16927 1 455 . 1 1 40 40 VAL HG13 H 1 0.779 0.010 . . . . . . 40 V QG1 . 16927 1 456 . 1 1 40 40 VAL HG21 H 1 0.881 0.000 . . . . . . 40 V QG2 . 16927 1 457 . 1 1 40 40 VAL HG22 H 1 0.881 0.000 . . . . . . 40 V QG2 . 16927 1 458 . 1 1 40 40 VAL HG23 H 1 0.881 0.000 . . . . . . 40 V QG2 . 16927 1 459 . 1 1 40 40 VAL C C 13 176.263 0.000 . 1 . . . . 40 V C . 16927 1 460 . 1 1 40 40 VAL CA C 13 61.007 0.058 . 1 . . . . 40 V CA . 16927 1 461 . 1 1 40 40 VAL CB C 13 35.491 0.022 . 1 . . . . 40 V CB . 16927 1 462 . 1 1 40 40 VAL CG1 C 13 20.949 0.000 . 2 . . . . 40 V CG1 . 16927 1 463 . 1 1 40 40 VAL N N 15 119.207 0.016 . 1 . . . . 40 V N . 16927 1 464 . 1 1 41 41 GLY H H 1 7.954 0.006 . 1 . . . . 41 G HN . 16927 1 465 . 1 1 41 41 GLY HA2 H 1 4.214 0.006 . 2 . . . . 41 G QA . 16927 1 466 . 1 1 41 41 GLY HA3 H 1 4.214 0.006 . 2 . . . . 41 G QA . 16927 1 467 . 1 1 41 41 GLY C C 13 171.071 0.000 . 1 . . . . 41 G C . 16927 1 468 . 1 1 41 41 GLY CA C 13 45.488 0.027 . 1 . . . . 41 G CA . 16927 1 469 . 1 1 41 41 GLY N N 15 113.720 0.011 . 1 . . . . 41 G N . 16927 1 470 . 1 1 42 42 SER H H 1 8.637 0.006 . 1 . . . . 42 S HN . 16927 1 471 . 1 1 42 42 SER HA H 1 4.493 0.006 . 1 . . . . 42 S HA . 16927 1 472 . 1 1 42 42 SER HB2 H 1 4.054 0.005 . 2 . . . . 42 S HB2 . 16927 1 473 . 1 1 42 42 SER HB3 H 1 4.301 0.017 . 2 . . . . 42 S HB3 . 16927 1 474 . 1 1 42 42 SER C C 13 174.570 0.000 . 1 . . . . 42 S C . 16927 1 475 . 1 1 42 42 SER CA C 13 58.094 0.037 . 1 . . . . 42 S CA . 16927 1 476 . 1 1 42 42 SER CB C 13 64.456 0.030 . 1 . . . . 42 S CB . 16927 1 477 . 1 1 42 42 SER N N 15 116.487 0.013 . 1 . . . . 42 S N . 16927 1 478 . 1 1 43 43 GLN H H 1 9.095 0.005 . 1 . . . . 43 Q HN . 16927 1 479 . 1 1 43 43 GLN HA H 1 3.704 0.004 . 1 . . . . 43 Q HA . 16927 1 480 . 1 1 43 43 GLN HB2 H 1 1.990 0.004 . 2 . . . . 43 Q HB2 . 16927 1 481 . 1 1 43 43 GLN HB3 H 1 2.128 0.002 . 2 . . . . 43 Q HB3 . 16927 1 482 . 1 1 43 43 GLN HE21 H 1 6.786 0.009 . 2 . . . . 43 Q HE21 . 16927 1 483 . 1 1 43 43 GLN HE22 H 1 7.994 0.005 . 2 . . . . 43 Q HE22 . 16927 1 484 . 1 1 43 43 GLN HG2 H 1 2.344 0.007 . 2 . . . . 43 Q QG . 16927 1 485 . 1 1 43 43 GLN HG3 H 1 2.344 0.007 . 2 . . . . 43 Q QG . 16927 1 486 . 1 1 43 43 GLN C C 13 177.396 0.000 . 1 . . . . 43 Q C . 16927 1 487 . 1 1 43 43 GLN CA C 13 59.511 0.030 . 1 . . . . 43 Q CA . 16927 1 488 . 1 1 43 43 GLN CB C 13 28.805 0.042 . 1 . . . . 43 Q CB . 16927 1 489 . 1 1 43 43 GLN CG C 13 33.582 0.102 . 1 . . . . 43 Q CG . 16927 1 490 . 1 1 43 43 GLN N N 15 122.622 0.010 . 1 . . . . 43 Q N . 16927 1 491 . 1 1 43 43 GLN NE2 N 15 115.233 0.009 . 1 . . . . 43 Q NE2 . 16927 1 492 . 1 1 44 44 GLU H H 1 8.735 0.004 . 1 . . . . 44 E HN . 16927 1 493 . 1 1 44 44 GLU HA H 1 3.983 0.005 . 1 . . . . 44 E HA . 16927 1 494 . 1 1 44 44 GLU HB2 H 1 1.879 0.003 . 2 . . . . 44 E HB2 . 16927 1 495 . 1 1 44 44 GLU HB3 H 1 2.002 0.003 . 2 . . . . 44 E HB3 . 16927 1 496 . 1 1 44 44 GLU HG2 H 1 2.293 0.005 . 2 . . . . 44 E QG . 16927 1 497 . 1 1 44 44 GLU HG3 H 1 2.293 0.005 . 2 . . . . 44 E QG . 16927 1 498 . 1 1 44 44 GLU C C 13 178.563 0.000 . 1 . . . . 44 E C . 16927 1 499 . 1 1 44 44 GLU CA C 13 59.764 0.138 . 1 . . . . 44 E CA . 16927 1 500 . 1 1 44 44 GLU CB C 13 29.045 0.044 . 1 . . . . 44 E CB . 16927 1 501 . 1 1 44 44 GLU CG C 13 36.589 0.072 . 1 . . . . 44 E CG . 16927 1 502 . 1 1 44 44 GLU N N 15 116.049 0.010 . 1 . . . . 44 E N . 16927 1 503 . 1 1 45 45 ALA H H 1 7.552 0.004 . 1 . . . . 45 A HN . 16927 1 504 . 1 1 45 45 ALA HA H 1 4.050 0.004 . 1 . . . . 45 A HA . 16927 1 505 . 1 1 45 45 ALA HB1 H 1 1.382 0.005 . . . . . . 45 A QB . 16927 1 506 . 1 1 45 45 ALA HB2 H 1 1.382 0.005 . . . . . . 45 A QB . 16927 1 507 . 1 1 45 45 ALA HB3 H 1 1.382 0.005 . . . . . . 45 A QB . 16927 1 508 . 1 1 45 45 ALA C C 13 181.234 0.000 . 1 . . . . 45 A C . 16927 1 509 . 1 1 45 45 ALA CA C 13 54.670 0.029 . 1 . . . . 45 A CA . 16927 1 510 . 1 1 45 45 ALA CB C 13 19.256 0.047 . 1 . . . . 45 A CB . 16927 1 511 . 1 1 45 45 ALA N N 15 120.827 0.011 . 1 . . . . 45 A N . 16927 1 512 . 1 1 46 46 MET H H 1 8.276 0.005 . 1 . . . . 46 M HN . 16927 1 513 . 1 1 46 46 MET HA H 1 3.786 0.006 . 1 . . . . 46 M HA . 16927 1 514 . 1 1 46 46 MET HB2 H 1 1.774 0.024 . 2 . . . . 46 M HB2 . 16927 1 515 . 1 1 46 46 MET HB3 H 1 2.232 0.010 . 2 . . . . 46 M HB3 . 16927 1 516 . 1 1 46 46 MET HG2 H 1 1.814 0.007 . 2 . . . . 46 M HG2 . 16927 1 517 . 1 1 46 46 MET HG3 H 1 2.568 0.006 . 2 . . . . 46 M HG3 . 16927 1 518 . 1 1 46 46 MET C C 13 178.656 0.000 . 1 . . . . 46 M C . 16927 1 519 . 1 1 46 46 MET CA C 13 59.447 0.067 . 1 . . . . 46 M CA . 16927 1 520 . 1 1 46 46 MET CB C 13 33.715 0.015 . 1 . . . . 46 M CB . 16927 1 521 . 1 1 46 46 MET CG C 13 31.355 0.143 . 1 . . . . 46 M CG . 16927 1 522 . 1 1 46 46 MET N N 15 116.232 0.017 . 1 . . . . 46 M N . 16927 1 523 . 1 1 47 47 ASP H H 1 8.372 0.003 . 1 . . . . 47 D HN . 16927 1 524 . 1 1 47 47 ASP HA H 1 4.271 0.005 . 1 . . . . 47 D HA . 16927 1 525 . 1 1 47 47 ASP HB2 H 1 2.635 0.011 . 2 . . . . 47 D HB2 . 16927 1 526 . 1 1 47 47 ASP HB3 H 1 2.680 0.004 . 2 . . . . 47 D HB3 . 16927 1 527 . 1 1 47 47 ASP C C 13 177.408 0.000 . 1 . . . . 47 D C . 16927 1 528 . 1 1 47 47 ASP CA C 13 56.443 0.031 . 1 . . . . 47 D CA . 16927 1 529 . 1 1 47 47 ASP CB C 13 40.301 0.127 . 1 . . . . 47 D CB . 16927 1 530 . 1 1 47 47 ASP N N 15 117.750 0.014 . 1 . . . . 47 D N . 16927 1 531 . 1 1 48 48 LYS H H 1 6.899 0.005 . 1 . . . . 48 K HN . 16927 1 532 . 1 1 48 48 LYS HA H 1 4.224 0.006 . 1 . . . . 48 K HA . 16927 1 533 . 1 1 48 48 LYS HB2 H 1 1.729 0.002 . 2 . . . . 48 K HB2 . 16927 1 534 . 1 1 48 48 LYS HB3 H 1 2.013 0.003 . 2 . . . . 48 K HB3 . 16927 1 535 . 1 1 48 48 LYS HE2 H 1 2.949 0.002 . 2 . . . . 48 K QE . 16927 1 536 . 1 1 48 48 LYS HE3 H 1 2.949 0.002 . 2 . . . . 48 K QE . 16927 1 537 . 1 1 48 48 LYS C C 13 175.962 0.000 . 1 . . . . 48 K C . 16927 1 538 . 1 1 48 48 LYS CA C 13 56.762 0.042 . 1 . . . . 48 K CA . 16927 1 539 . 1 1 48 48 LYS CB C 13 33.669 0.030 . 1 . . . . 48 K CB . 16927 1 540 . 1 1 48 48 LYS CD C 13 29.124 0.000 . 1 . . . . 48 K CD . 16927 1 541 . 1 1 48 48 LYS CE C 13 42.191 0.073 . 1 . . . . 48 K CE . 16927 1 542 . 1 1 48 48 LYS CG C 13 24.997 0.000 . 1 . . . . 48 K CG . 16927 1 543 . 1 1 48 48 LYS N N 15 115.477 0.009 . 1 . . . . 48 K N . 16927 1 544 . 1 1 49 49 ILE H H 1 7.440 0.007 . 1 . . . . 49 I HN . 16927 1 545 . 1 1 49 49 ILE HA H 1 4.251 0.003 . 1 . . . . 49 I HA . 16927 1 546 . 1 1 49 49 ILE HB H 1 1.708 0.007 . 1 . . . . 49 I HB . 16927 1 547 . 1 1 49 49 ILE HD11 H 1 0.755 0.005 . . . . . . 49 I QD1 . 16927 1 548 . 1 1 49 49 ILE HD12 H 1 0.755 0.005 . . . . . . 49 I QD1 . 16927 1 549 . 1 1 49 49 ILE HD13 H 1 0.755 0.005 . . . . . . 49 I QD1 . 16927 1 550 . 1 1 49 49 ILE HG12 H 1 1.446 0.008 . 2 . . . . 49 I HG12 . 16927 1 551 . 1 1 49 49 ILE HG13 H 1 1.083 0.006 . 2 . . . . 49 I HG13 . 16927 1 552 . 1 1 49 49 ILE HG21 H 1 0.721 0.011 . . . . . . 49 I QG2 . 16927 1 553 . 1 1 49 49 ILE HG22 H 1 0.721 0.011 . . . . . . 49 I QG2 . 16927 1 554 . 1 1 49 49 ILE HG23 H 1 0.721 0.011 . . . . . . 49 I QG2 . 16927 1 555 . 1 1 49 49 ILE C C 13 173.950 0.000 . 1 . . . . 49 I C . 16927 1 556 . 1 1 49 49 ILE CA C 13 60.551 0.028 . 1 . . . . 49 I CA . 16927 1 557 . 1 1 49 49 ILE CB C 13 39.405 0.062 . 1 . . . . 49 I CB . 16927 1 558 . 1 1 49 49 ILE CD1 C 13 14.706 0.157 . 1 . . . . 49 I CD1 . 16927 1 559 . 1 1 49 49 ILE CG1 C 13 26.650 0.000 . 1 . . . . 49 I CG1 . 16927 1 560 . 1 1 49 49 ILE CG2 C 13 18.094 0.040 . 1 . . . . 49 I CG2 . 16927 1 561 . 1 1 49 49 ILE N N 15 120.629 0.015 . 1 . . . . 49 I N . 16927 1 562 . 1 1 50 50 ASP H H 1 8.791 0.004 . 1 . . . . 50 D HN . 16927 1 563 . 1 1 50 50 ASP HA H 1 4.893 0.005 . 1 . . . . 50 D HA . 16927 1 564 . 1 1 50 50 ASP HB2 H 1 2.652 0.002 . 2 . . . . 50 D QB . 16927 1 565 . 1 1 50 50 ASP HB3 H 1 2.652 0.002 . 2 . . . . 50 D QB . 16927 1 566 . 1 1 50 50 ASP C C 13 176.114 0.000 . 1 . . . . 50 D C . 16927 1 567 . 1 1 50 50 ASP CA C 13 53.579 0.074 . 1 . . . . 50 D CA . 16927 1 568 . 1 1 50 50 ASP CB C 13 42.678 0.037 . 1 . . . . 50 D CB . 16927 1 569 . 1 1 50 50 ASP N N 15 124.506 0.014 . 1 . . . . 50 D N . 16927 1 570 . 1 1 51 51 SER H H 1 7.776 0.004 . 1 . . . . 51 S HN . 16927 1 571 . 1 1 51 51 SER HA H 1 4.558 0.007 . 1 . . . . 51 S HA . 16927 1 572 . 1 1 51 51 SER HB2 H 1 3.419 0.003 . 2 . . . . 51 S HB2 . 16927 1 573 . 1 1 51 51 SER HB3 H 1 4.078 0.014 . 2 . . . . 51 S HB3 . 16927 1 574 . 1 1 51 51 SER C C 13 172.120 0.000 . 1 . . . . 51 S C . 16927 1 575 . 1 1 51 51 SER CA C 13 57.674 0.067 . 1 . . . . 51 S CA . 16927 1 576 . 1 1 51 51 SER CB C 13 64.255 0.042 . 1 . . . . 51 S CB . 16927 1 577 . 1 1 51 51 SER N N 15 110.668 0.013 . 1 . . . . 51 S N . 16927 1 578 . 1 1 52 52 ILE H H 1 8.282 0.005 . 1 . . . . 52 I HN . 16927 1 579 . 1 1 52 52 ILE HA H 1 4.343 0.006 . 1 . . . . 52 I HA . 16927 1 580 . 1 1 52 52 ILE HB H 1 1.500 0.007 . 1 . . . . 52 I HB . 16927 1 581 . 1 1 52 52 ILE HD11 H 1 0.475 0.006 . . . . . . 52 I QD1 . 16927 1 582 . 1 1 52 52 ILE HD12 H 1 0.475 0.006 . . . . . . 52 I QD1 . 16927 1 583 . 1 1 52 52 ILE HD13 H 1 0.475 0.006 . . . . . . 52 I QD1 . 16927 1 584 . 1 1 52 52 ILE HG12 H 1 1.144 0.007 . 2 . . . . 52 I HG12 . 16927 1 585 . 1 1 52 52 ILE HG13 H 1 0.933 0.003 . 2 . . . . 52 I HG13 . 16927 1 586 . 1 1 52 52 ILE HG21 H 1 0.782 0.004 . . . . . . 52 I QG2 . 16927 1 587 . 1 1 52 52 ILE HG22 H 1 0.782 0.004 . . . . . . 52 I QG2 . 16927 1 588 . 1 1 52 52 ILE HG23 H 1 0.782 0.004 . . . . . . 52 I QG2 . 16927 1 589 . 1 1 52 52 ILE C C 13 174.260 0.000 . 1 . . . . 52 I C . 16927 1 590 . 1 1 52 52 ILE CA C 13 60.409 0.102 . 1 . . . . 52 I CA . 16927 1 591 . 1 1 52 52 ILE CB C 13 39.835 0.043 . 1 . . . . 52 I CB . 16927 1 592 . 1 1 52 52 ILE CD1 C 13 13.103 0.045 . 1 . . . . 52 I CD1 . 16927 1 593 . 1 1 52 52 ILE CG1 C 13 27.121 0.031 . 1 . . . . 52 I CG1 . 16927 1 594 . 1 1 52 52 ILE CG2 C 13 17.531 0.062 . 1 . . . . 52 I CG2 . 16927 1 595 . 1 1 52 52 ILE N N 15 120.144 0.012 . 1 . . . . 52 I N . 16927 1 596 . 1 1 53 53 THR H H 1 8.671 0.005 . 1 . . . . 53 T HN . 16927 1 597 . 1 1 53 53 THR HA H 1 4.986 0.004 . 1 . . . . 53 T HA . 16927 1 598 . 1 1 53 53 THR HB H 1 3.858 0.003 . 1 . . . . 53 T HB . 16927 1 599 . 1 1 53 53 THR HG21 H 1 0.897 0.003 . . . . . . 53 T QG2 . 16927 1 600 . 1 1 53 53 THR HG22 H 1 0.897 0.003 . . . . . . 53 T QG2 . 16927 1 601 . 1 1 53 53 THR HG23 H 1 0.897 0.003 . . . . . . 53 T QG2 . 16927 1 602 . 1 1 53 53 THR C C 13 174.471 0.000 . 1 . . . . 53 T C . 16927 1 603 . 1 1 53 53 THR CA C 13 61.668 0.047 . 1 . . . . 53 T CA . 16927 1 604 . 1 1 53 53 THR CB C 13 69.372 0.113 . 1 . . . . 53 T CB . 16927 1 605 . 1 1 53 53 THR CG2 C 13 21.830 0.023 . 1 . . . . 53 T CG2 . 16927 1 606 . 1 1 53 53 THR N N 15 123.734 0.015 . 1 . . . . 53 T N . 16927 1 607 . 1 1 54 54 VAL H H 1 8.821 0.009 . 1 . . . . 54 V HN . 16927 1 608 . 1 1 54 54 VAL HA H 1 4.595 0.003 . 1 . . . . 54 V HA . 16927 1 609 . 1 1 54 54 VAL HB H 1 1.909 0.001 . 1 . . . . 54 V HB . 16927 1 610 . 1 1 54 54 VAL HG11 H 1 0.759 0.000 . . . . . . 54 V QG1 . 16927 1 611 . 1 1 54 54 VAL HG12 H 1 0.759 0.000 . . . . . . 54 V QG1 . 16927 1 612 . 1 1 54 54 VAL HG13 H 1 0.759 0.000 . . . . . . 54 V QG1 . 16927 1 613 . 1 1 54 54 VAL HG21 H 1 0.831 0.019 . . . . . . 54 V QG2 . 16927 1 614 . 1 1 54 54 VAL HG22 H 1 0.831 0.019 . . . . . . 54 V QG2 . 16927 1 615 . 1 1 54 54 VAL HG23 H 1 0.831 0.019 . . . . . . 54 V QG2 . 16927 1 616 . 1 1 54 54 VAL CA C 13 58.419 0.047 . 1 . . . . 54 V CA . 16927 1 617 . 1 1 54 54 VAL CB C 13 34.545 0.000 . 1 . . . . 54 V CB . 16927 1 618 . 1 1 54 54 VAL N N 15 128.784 0.011 . 1 . . . . 54 V N . 16927 1 619 . 1 1 55 55 PRO HA H 1 5.391 0.006 . 1 . . . . 55 P HA . 16927 1 620 . 1 1 55 55 PRO HB2 H 1 1.894 0.007 . 2 . . . . 55 P HB2 . 16927 1 621 . 1 1 55 55 PRO HB3 H 1 2.129 0.005 . 2 . . . . 55 P HB3 . 16927 1 622 . 1 1 55 55 PRO HD2 H 1 3.812 0.009 . 2 . . . . 55 P QD . 16927 1 623 . 1 1 55 55 PRO HD3 H 1 3.812 0.009 . 2 . . . . 55 P QD . 16927 1 624 . 1 1 55 55 PRO HG2 H 1 1.975 0.009 . 2 . . . . 55 P HG2 . 16927 1 625 . 1 1 55 55 PRO HG3 H 1 2.158 0.009 . 2 . . . . 55 P HG3 . 16927 1 626 . 1 1 55 55 PRO C C 13 177.001 0.000 . 1 . . . . 55 P C . 16927 1 627 . 1 1 55 55 PRO CA C 13 61.495 0.041 . 1 . . . . 55 P CA . 16927 1 628 . 1 1 55 55 PRO CB C 13 31.871 0.072 . 1 . . . . 55 P CB . 16927 1 629 . 1 1 55 55 PRO CD C 13 51.190 0.044 . 1 . . . . 55 P CD . 16927 1 630 . 1 1 55 55 PRO CG C 13 27.124 0.035 . 1 . . . . 55 P CG . 16927 1 631 . 1 1 56 56 VAL H H 1 8.754 0.006 . 1 . . . . 56 V HN . 16927 1 632 . 1 1 56 56 VAL HA H 1 4.043 0.004 . 1 . . . . 56 V HA . 16927 1 633 . 1 1 56 56 VAL HB H 1 1.748 0.006 . 1 . . . . 56 V HB . 16927 1 634 . 1 1 56 56 VAL HG11 H 1 0.621 0.005 . . . . . . 56 V QG1 . 16927 1 635 . 1 1 56 56 VAL HG12 H 1 0.621 0.005 . . . . . . 56 V QG1 . 16927 1 636 . 1 1 56 56 VAL HG13 H 1 0.621 0.005 . . . . . . 56 V QG1 . 16927 1 637 . 1 1 56 56 VAL HG21 H 1 0.734 0.010 . . . . . . 56 V QG2 . 16927 1 638 . 1 1 56 56 VAL HG22 H 1 0.734 0.010 . . . . . . 56 V QG2 . 16927 1 639 . 1 1 56 56 VAL HG23 H 1 0.734 0.010 . . . . . . 56 V QG2 . 16927 1 640 . 1 1 56 56 VAL C C 13 173.609 0.000 . 1 . . . . 56 V C . 16927 1 641 . 1 1 56 56 VAL CA C 13 61.265 0.053 . 1 . . . . 56 V CA . 16927 1 642 . 1 1 56 56 VAL CB C 13 35.209 0.059 . 1 . . . . 56 V CB . 16927 1 643 . 1 1 56 56 VAL CG1 C 13 20.810 0.030 . 2 . . . . 56 V CG1 . 16927 1 644 . 1 1 56 56 VAL CG2 C 13 22.648 0.063 . 2 . . . . 56 V CG2 . 16927 1 645 . 1 1 56 56 VAL N N 15 123.114 0.021 . 1 . . . . 56 V N . 16927 1 646 . 1 1 57 57 ASP H H 1 8.315 0.004 . 1 . . . . 57 D HN . 16927 1 647 . 1 1 57 57 ASP HA H 1 4.986 0.004 . 1 . . . . 57 D HA . 16927 1 648 . 1 1 57 57 ASP HB2 H 1 2.403 0.007 . 2 . . . . 57 D HB2 . 16927 1 649 . 1 1 57 57 ASP HB3 H 1 2.713 0.008 . 2 . . . . 57 D HB3 . 16927 1 650 . 1 1 57 57 ASP C C 13 178.944 0.000 . 1 . . . . 57 D C . 16927 1 651 . 1 1 57 57 ASP CA C 13 53.218 0.156 . 1 . . . . 57 D CA . 16927 1 652 . 1 1 57 57 ASP CB C 13 41.058 0.072 . 1 . . . . 57 D CB . 16927 1 653 . 1 1 57 57 ASP N N 15 126.930 0.011 . 1 . . . . 57 D N . 16927 1 654 . 1 1 58 58 ILE H H 1 9.013 0.006 . 1 . . . . 58 I HN . 16927 1 655 . 1 1 58 58 ILE HA H 1 4.453 0.007 . 1 . . . . 58 I HA . 16927 1 656 . 1 1 58 58 ILE HB H 1 2.343 0.007 . 1 . . . . 58 I HB . 16927 1 657 . 1 1 58 58 ILE HD11 H 1 0.561 0.007 . . . . . . 58 I QD1 . 16927 1 658 . 1 1 58 58 ILE HD12 H 1 0.561 0.007 . . . . . . 58 I QD1 . 16927 1 659 . 1 1 58 58 ILE HD13 H 1 0.561 0.007 . . . . . . 58 I QD1 . 16927 1 660 . 1 1 58 58 ILE HG12 H 1 1.162 0.000 . 2 . . . . 58 I HG12 . 16927 1 661 . 1 1 58 58 ILE HG13 H 1 1.202 0.006 . 2 . . . . 58 I HG13 . 16927 1 662 . 1 1 58 58 ILE HG21 H 1 0.872 0.006 . . . . . . 58 I QG2 . 16927 1 663 . 1 1 58 58 ILE HG22 H 1 0.872 0.006 . . . . . . 58 I QG2 . 16927 1 664 . 1 1 58 58 ILE HG23 H 1 0.872 0.006 . . . . . . 58 I QG2 . 16927 1 665 . 1 1 58 58 ILE C C 13 178.148 0.000 . 1 . . . . 58 I C . 16927 1 666 . 1 1 58 58 ILE CA C 13 60.221 0.039 . 1 . . . . 58 I CA . 16927 1 667 . 1 1 58 58 ILE CB C 13 37.952 0.042 . 1 . . . . 58 I CB . 16927 1 668 . 1 1 58 58 ILE CD1 C 13 14.481 0.066 . 1 . . . . 58 I CD1 . 16927 1 669 . 1 1 58 58 ILE CG1 C 13 27.040 0.046 . 1 . . . . 58 I CG1 . 16927 1 670 . 1 1 58 58 ILE CG2 C 13 21.822 0.023 . 1 . . . . 58 I CG2 . 16927 1 671 . 1 1 58 58 ILE N N 15 120.685 0.021 . 1 . . . . 58 I N . 16927 1 672 . 1 1 59 59 SER H H 1 8.897 0.005 . 1 . . . . 59 S HN . 16927 1 673 . 1 1 59 59 SER HA H 1 4.619 0.001 . 1 . . . . 59 S HA . 16927 1 674 . 1 1 59 59 SER HB2 H 1 3.987 0.007 . 2 . . . . 59 S HB2 . 16927 1 675 . 1 1 59 59 SER HB3 H 1 4.141 0.000 . 2 . . . . 59 S HB3 . 16927 1 676 . 1 1 59 59 SER C C 13 175.505 0.000 . 1 . . . . 59 S C . 16927 1 677 . 1 1 59 59 SER CA C 13 62.109 0.054 . 1 . . . . 59 S CA . 16927 1 678 . 1 1 59 59 SER CB C 13 63.512 0.044 . 1 . . . . 59 S CB . 16927 1 679 . 1 1 59 59 SER N N 15 120.405 0.036 . 1 . . . . 59 S N . 16927 1 680 . 1 1 60 60 GLN H H 1 8.430 0.005 . 1 . . . . 60 Q HN . 16927 1 681 . 1 1 60 60 GLN HA H 1 4.488 0.002 . 1 . . . . 60 Q HA . 16927 1 682 . 1 1 60 60 GLN HB2 H 1 1.697 0.004 . 2 . . . . 60 Q HB2 . 16927 1 683 . 1 1 60 60 GLN HB3 H 1 2.433 0.003 . 2 . . . . 60 Q HB3 . 16927 1 684 . 1 1 60 60 GLN HE21 H 1 6.799 0.000 . 2 . . . . 60 Q HE21 . 16927 1 685 . 1 1 60 60 GLN HE22 H 1 7.522 0.001 . 2 . . . . 60 Q HE22 . 16927 1 686 . 1 1 60 60 GLN HG2 H 1 2.265 0.007 . 2 . . . . 60 Q QG . 16927 1 687 . 1 1 60 60 GLN HG3 H 1 2.265 0.007 . 2 . . . . 60 Q QG . 16927 1 688 . 1 1 60 60 GLN C C 13 175.578 0.000 . 1 . . . . 60 Q C . 16927 1 689 . 1 1 60 60 GLN CA C 13 54.306 0.022 . 1 . . . . 60 Q CA . 16927 1 690 . 1 1 60 60 GLN CB C 13 28.425 0.049 . 1 . . . . 60 Q CB . 16927 1 691 . 1 1 60 60 GLN CG C 13 33.987 0.000 . 1 . . . . 60 Q CG . 16927 1 692 . 1 1 60 60 GLN N N 15 116.349 0.017 . 1 . . . . 60 Q N . 16927 1 693 . 1 1 60 60 GLN NE2 N 15 112.782 0.028 . 1 . . . . 60 Q NE2 . 16927 1 694 . 1 1 61 61 VAL H H 1 7.515 0.005 . 1 . . . . 61 V HN . 16927 1 695 . 1 1 61 61 VAL HA H 1 4.195 0.006 . 1 . . . . 61 V HA . 16927 1 696 . 1 1 61 61 VAL HB H 1 2.164 0.006 . 1 . . . . 61 V HB . 16927 1 697 . 1 1 61 61 VAL HG11 H 1 0.865 0.007 . . . . . . 61 V QG1 . 16927 1 698 . 1 1 61 61 VAL HG12 H 1 0.865 0.007 . . . . . . 61 V QG1 . 16927 1 699 . 1 1 61 61 VAL HG13 H 1 0.865 0.007 . . . . . . 61 V QG1 . 16927 1 700 . 1 1 61 61 VAL HG21 H 1 0.889 0.001 . . . . . . 61 V QG2 . 16927 1 701 . 1 1 61 61 VAL HG22 H 1 0.889 0.001 . . . . . . 61 V QG2 . 16927 1 702 . 1 1 61 61 VAL HG23 H 1 0.889 0.001 . . . . . . 61 V QG2 . 16927 1 703 . 1 1 61 61 VAL C C 13 174.707 0.000 . 1 . . . . 61 V C . 16927 1 704 . 1 1 61 61 VAL CA C 13 62.785 0.071 . 1 . . . . 61 V CA . 16927 1 705 . 1 1 61 61 VAL CB C 13 30.999 0.079 . 1 . . . . 61 V CB . 16927 1 706 . 1 1 61 61 VAL CG1 C 13 21.684 0.006 . 2 . . . . 61 V CG1 . 16927 1 707 . 1 1 61 61 VAL N N 15 122.588 0.014 . 1 . . . . 61 V N . 16927 1 708 . 1 1 62 62 THR H H 1 8.106 0.004 . 1 . . . . 62 T HN . 16927 1 709 . 1 1 62 62 THR HA H 1 4.340 0.013 . 1 . . . . 62 T HA . 16927 1 710 . 1 1 62 62 THR HG21 H 1 1.017 0.009 . . . . . . 62 T QG2 . 16927 1 711 . 1 1 62 62 THR HG22 H 1 1.017 0.009 . . . . . . 62 T QG2 . 16927 1 712 . 1 1 62 62 THR HG23 H 1 1.017 0.009 . . . . . . 62 T QG2 . 16927 1 713 . 1 1 62 62 THR C C 13 173.667 0.000 . 1 . . . . 62 T C . 16927 1 714 . 1 1 62 62 THR CA C 13 61.210 0.034 . 1 . . . . 62 T CA . 16927 1 715 . 1 1 62 62 THR CB C 13 69.986 0.033 . 1 . . . . 62 T CB . 16927 1 716 . 1 1 62 62 THR CG2 C 13 21.541 0.104 . 1 . . . . 62 T CG2 . 16927 1 717 . 1 1 62 62 THR N N 15 115.185 0.011 . 1 . . . . 62 T N . 16927 1 718 . 1 1 63 63 GLU H H 1 7.716 0.004 . 1 . . . . 63 E HN . 16927 1 719 . 1 1 63 63 GLU HA H 1 4.426 0.004 . 1 . . . . 63 E HA . 16927 1 720 . 1 1 63 63 GLU HB2 H 1 1.928 0.004 . 2 . . . . 63 E HB2 . 16927 1 721 . 1 1 63 63 GLU HB3 H 1 2.161 0.010 . 2 . . . . 63 E HB3 . 16927 1 722 . 1 1 63 63 GLU C C 13 173.651 0.000 . 1 . . . . 63 E C . 16927 1 723 . 1 1 63 63 GLU CA C 13 54.283 0.031 . 1 . . . . 63 E CA . 16927 1 724 . 1 1 63 63 GLU CB C 13 32.497 0.034 . 1 . . . . 63 E CB . 16927 1 725 . 1 1 63 63 GLU CG C 13 34.618 0.000 . 1 . . . . 63 E CG . 16927 1 726 . 1 1 63 63 GLU N N 15 117.913 0.014 . 1 . . . . 63 E N . 16927 1 727 . 1 1 64 64 ASP H H 1 8.395 0.006 . 1 . . . . 64 D HN . 16927 1 728 . 1 1 64 64 ASP HA H 1 4.610 0.011 . 1 . . . . 64 D HA . 16927 1 729 . 1 1 64 64 ASP HB2 H 1 2.608 0.012 . 2 . . . . 64 D HB2 . 16927 1 730 . 1 1 64 64 ASP HB3 H 1 2.692 0.025 . 2 . . . . 64 D HB3 . 16927 1 731 . 1 1 64 64 ASP C C 13 176.310 0.000 . 1 . . . . 64 D C . 16927 1 732 . 1 1 64 64 ASP CA C 13 56.100 0.019 . 1 . . . . 64 D CA . 16927 1 733 . 1 1 64 64 ASP CB C 13 40.357 0.074 . 1 . . . . 64 D CB . 16927 1 734 . 1 1 64 64 ASP N N 15 121.351 0.021 . 1 . . . . 64 D N . 16927 1 735 . 1 1 65 65 THR H H 1 8.286 0.007 . 1 . . . . 65 T HN . 16927 1 736 . 1 1 65 65 THR HA H 1 4.705 0.007 . 1 . . . . 65 T HA . 16927 1 737 . 1 1 65 65 THR HB H 1 4.163 0.005 . 1 . . . . 65 T HB . 16927 1 738 . 1 1 65 65 THR HG21 H 1 1.154 0.006 . . . . . . 65 T QG2 . 16927 1 739 . 1 1 65 65 THR HG22 H 1 1.154 0.006 . . . . . . 65 T QG2 . 16927 1 740 . 1 1 65 65 THR HG23 H 1 1.154 0.006 . . . . . . 65 T QG2 . 16927 1 741 . 1 1 65 65 THR C C 13 171.591 0.000 . 1 . . . . 65 T C . 16927 1 742 . 1 1 65 65 THR CA C 13 61.203 0.052 . 1 . . . . 65 T CA . 16927 1 743 . 1 1 65 65 THR CB C 13 70.149 0.132 . 1 . . . . 65 T CB . 16927 1 744 . 1 1 65 65 THR CG2 C 13 19.880 0.084 . 1 . . . . 65 T CG2 . 16927 1 745 . 1 1 65 65 THR N N 15 115.864 0.013 . 1 . . . . 65 T N . 16927 1 746 . 1 1 66 66 SER H H 1 8.476 0.010 . 1 . . . . 66 S HN . 16927 1 747 . 1 1 66 66 SER HA H 1 5.693 0.004 . 1 . . . . 66 S HA . 16927 1 748 . 1 1 66 66 SER HB2 H 1 3.691 0.005 . 2 . . . . 66 S HB2 . 16927 1 749 . 1 1 66 66 SER HB3 H 1 3.795 0.001 . 2 . . . . 66 S HB3 . 16927 1 750 . 1 1 66 66 SER C C 13 173.484 0.000 . 1 . . . . 66 S C . 16927 1 751 . 1 1 66 66 SER CA C 13 56.849 0.054 . 1 . . . . 66 S CA . 16927 1 752 . 1 1 66 66 SER CB C 13 65.614 0.024 . 1 . . . . 66 S CB . 16927 1 753 . 1 1 66 66 SER N N 15 119.360 0.012 . 1 . . . . 66 S N . 16927 1 754 . 1 1 67 67 LYS H H 1 8.948 0.005 . 1 . . . . 67 K HN . 16927 1 755 . 1 1 67 67 LYS HA H 1 4.756 0.003 . 1 . . . . 67 K HA . 16927 1 756 . 1 1 67 67 LYS HB2 H 1 1.396 0.006 . 2 . . . . 67 K HB2 . 16927 1 757 . 1 1 67 67 LYS HB3 H 1 1.730 0.007 . 2 . . . . 67 K HB3 . 16927 1 758 . 1 1 67 67 LYS HD2 H 1 1.651 0.000 . 2 . . . . 67 K QD . 16927 1 759 . 1 1 67 67 LYS HD3 H 1 1.651 0.000 . 2 . . . . 67 K QD . 16927 1 760 . 1 1 67 67 LYS HE2 H 1 2.721 0.009 . 2 . . . . 67 K HE2 . 16927 1 761 . 1 1 67 67 LYS HE3 H 1 2.893 0.011 . 2 . . . . 67 K HE3 . 16927 1 762 . 1 1 67 67 LYS HG2 H 1 1.470 0.008 . 2 . . . . 67 K QG . 16927 1 763 . 1 1 67 67 LYS HG3 H 1 1.470 0.008 . 2 . . . . 67 K QG . 16927 1 764 . 1 1 67 67 LYS C C 13 174.753 0.000 . 1 . . . . 67 K C . 16927 1 765 . 1 1 67 67 LYS CA C 13 54.732 0.029 . 1 . . . . 67 K CA . 16927 1 766 . 1 1 67 67 LYS CB C 13 36.911 0.046 . 1 . . . . 67 K CB . 16927 1 767 . 1 1 67 67 LYS CD C 13 29.216 0.000 . 1 . . . . 67 K CD . 16927 1 768 . 1 1 67 67 LYS CE C 13 41.742 0.027 . 1 . . . . 67 K CE . 16927 1 769 . 1 1 67 67 LYS CG C 13 24.859 0.000 . 1 . . . . 67 K CG . 16927 1 770 . 1 1 67 67 LYS N N 15 122.035 0.011 . 1 . . . . 67 K N . 16927 1 771 . 1 1 68 68 THR H H 1 8.742 0.004 . 1 . . . . 68 T HN . 16927 1 772 . 1 1 68 68 THR HA H 1 4.778 0.004 . 1 . . . . 68 T HA . 16927 1 773 . 1 1 68 68 THR HB H 1 3.986 0.004 . 1 . . . . 68 T HB . 16927 1 774 . 1 1 68 68 THR HG21 H 1 1.089 0.008 . . . . . . 68 T QG2 . 16927 1 775 . 1 1 68 68 THR HG22 H 1 1.089 0.008 . . . . . . 68 T QG2 . 16927 1 776 . 1 1 68 68 THR HG23 H 1 1.089 0.008 . . . . . . 68 T QG2 . 16927 1 777 . 1 1 68 68 THR C C 13 173.797 0.000 . 1 . . . . 68 T C . 16927 1 778 . 1 1 68 68 THR CA C 13 62.802 0.033 . 1 . . . . 68 T CA . 16927 1 779 . 1 1 68 68 THR CB C 13 69.258 0.024 . 1 . . . . 68 T CB . 16927 1 780 . 1 1 68 68 THR CG2 C 13 21.909 0.012 . 1 . . . . 68 T CG2 . 16927 1 781 . 1 1 68 68 THR N N 15 120.042 0.011 . 1 . . . . 68 T N . 16927 1 782 . 1 1 69 69 LEU H H 1 9.294 0.004 . 1 . . . . 69 L HN . 16927 1 783 . 1 1 69 69 LEU HA H 1 4.688 0.006 . 1 . . . . 69 L HA . 16927 1 784 . 1 1 69 69 LEU HB2 H 1 1.302 0.004 . 2 . . . . 69 L HB2 . 16927 1 785 . 1 1 69 69 LEU HB3 H 1 1.606 0.009 . 2 . . . . 69 L HB3 . 16927 1 786 . 1 1 69 69 LEU HD11 H 1 0.692 0.000 . . . . . . 69 L QD1 . 16927 1 787 . 1 1 69 69 LEU HD12 H 1 0.692 0.000 . . . . . . 69 L QD1 . 16927 1 788 . 1 1 69 69 LEU HD13 H 1 0.692 0.000 . . . . . . 69 L QD1 . 16927 1 789 . 1 1 69 69 LEU HD21 H 1 0.724 0.003 . . . . . . 69 L QD2 . 16927 1 790 . 1 1 69 69 LEU HD22 H 1 0.724 0.003 . . . . . . 69 L QD2 . 16927 1 791 . 1 1 69 69 LEU HD23 H 1 0.724 0.003 . . . . . . 69 L QD2 . 16927 1 792 . 1 1 69 69 LEU HG H 1 1.546 0.004 . 1 . . . . 69 L HG . 16927 1 793 . 1 1 69 69 LEU C C 13 175.235 0.000 . 1 . . . . 69 L C . 16927 1 794 . 1 1 69 69 LEU CA C 13 53.063 0.087 . 1 . . . . 69 L CA . 16927 1 795 . 1 1 69 69 LEU CB C 13 43.533 0.033 . 1 . . . . 69 L CB . 16927 1 796 . 1 1 69 69 LEU CD1 C 13 22.822 0.000 . 2 . . . . 69 L CD1 . 16927 1 797 . 1 1 69 69 LEU N N 15 128.296 0.011 . 1 . . . . 69 L N . 16927 1 798 . 1 1 70 70 GLU H H 1 8.359 0.004 . 1 . . . . 70 E HN . 16927 1 799 . 1 1 70 70 GLU HA H 1 4.608 0.003 . 1 . . . . 70 E HA . 16927 1 800 . 1 1 70 70 GLU HB2 H 1 1.923 0.005 . 2 . . . . 70 E QB . 16927 1 801 . 1 1 70 70 GLU HB3 H 1 1.923 0.005 . 2 . . . . 70 E QB . 16927 1 802 . 1 1 70 70 GLU HG2 H 1 2.133 0.022 . 2 . . . . 70 E HG2 . 16927 1 803 . 1 1 70 70 GLU HG3 H 1 2.261 0.005 . 2 . . . . 70 E HG3 . 16927 1 804 . 1 1 70 70 GLU C C 13 175.825 0.000 . 1 . . . . 70 E C . 16927 1 805 . 1 1 70 70 GLU CA C 13 55.731 0.010 . 1 . . . . 70 E CA . 16927 1 806 . 1 1 70 70 GLU CB C 13 30.726 0.019 . 1 . . . . 70 E CB . 16927 1 807 . 1 1 70 70 GLU CG C 13 36.334 0.046 . 1 . . . . 70 E CG . 16927 1 808 . 1 1 70 70 GLU N N 15 121.577 0.020 . 1 . . . . 70 E N . 16927 1 809 . 1 1 71 71 LEU H H 1 8.442 0.003 . 1 . . . . 71 L HN . 16927 1 810 . 1 1 71 71 LEU HA H 1 4.434 0.011 . 1 . . . . 71 L HA . 16927 1 811 . 1 1 71 71 LEU HB2 H 1 0.957 0.007 . 2 . . . . 71 L HB2 . 16927 1 812 . 1 1 71 71 LEU HB3 H 1 1.709 0.006 . 2 . . . . 71 L HB3 . 16927 1 813 . 1 1 71 71 LEU HD11 H 1 0.553 0.005 . . . . . . 71 L QD1 . 16927 1 814 . 1 1 71 71 LEU HD12 H 1 0.553 0.005 . . . . . . 71 L QD1 . 16927 1 815 . 1 1 71 71 LEU HD13 H 1 0.553 0.005 . . . . . . 71 L QD1 . 16927 1 816 . 1 1 71 71 LEU HD21 H 1 0.695 0.002 . . . . . . 71 L QD2 . 16927 1 817 . 1 1 71 71 LEU HD22 H 1 0.695 0.002 . . . . . . 71 L QD2 . 16927 1 818 . 1 1 71 71 LEU HD23 H 1 0.695 0.002 . . . . . . 71 L QD2 . 16927 1 819 . 1 1 71 71 LEU HG H 1 1.433 0.003 . 1 . . . . 71 L HG . 16927 1 820 . 1 1 71 71 LEU C C 13 175.158 0.000 . 1 . . . . 71 L C . 16927 1 821 . 1 1 71 71 LEU CA C 13 53.817 0.084 . 1 . . . . 71 L CA . 16927 1 822 . 1 1 71 71 LEU CB C 13 43.545 0.038 . 1 . . . . 71 L CB . 16927 1 823 . 1 1 71 71 LEU CD1 C 13 23.978 0.055 . 2 . . . . 71 L CD1 . 16927 1 824 . 1 1 71 71 LEU N N 15 124.451 0.019 . 1 . . . . 71 L N . 16927 1 825 . 1 1 72 72 LYS H H 1 8.075 0.005 . 1 . . . . 72 K HN . 16927 1 826 . 1 1 72 72 LYS HA H 1 4.505 0.001 . 1 . . . . 72 K HA . 16927 1 827 . 1 1 72 72 LYS HB2 H 1 1.712 0.003 . 2 . . . . 72 K QB . 16927 1 828 . 1 1 72 72 LYS HB3 H 1 1.712 0.003 . 2 . . . . 72 K QB . 16927 1 829 . 1 1 72 72 LYS HE2 H 1 2.923 0.000 . 2 . . . . 72 K QE . 16927 1 830 . 1 1 72 72 LYS HE3 H 1 2.923 0.000 . 2 . . . . 72 K QE . 16927 1 831 . 1 1 72 72 LYS C C 13 174.103 0.000 . 1 . . . . 72 K C . 16927 1 832 . 1 1 72 72 LYS CA C 13 55.039 0.006 . 1 . . . . 72 K CA . 16927 1 833 . 1 1 72 72 LYS CB C 13 36.022 0.042 . 1 . . . . 72 K CB . 16927 1 834 . 1 1 72 72 LYS CD C 13 29.167 0.000 . 1 . . . . 72 K CD . 16927 1 835 . 1 1 72 72 LYS CE C 13 42.329 0.000 . 1 . . . . 72 K CE . 16927 1 836 . 1 1 72 72 LYS CG C 13 24.158 0.000 . 1 . . . . 72 K CG . 16927 1 837 . 1 1 72 72 LYS N N 15 120.642 0.019 . 1 . . . . 72 K N . 16927 1 838 . 1 1 73 73 ALA H H 1 8.580 0.004 . 1 . . . . 73 A HN . 16927 1 839 . 1 1 73 73 ALA HA H 1 4.402 0.002 . 1 . . . . 73 A HA . 16927 1 840 . 1 1 73 73 ALA HB1 H 1 1.105 0.003 . . . . . . 73 A QB . 16927 1 841 . 1 1 73 73 ALA HB2 H 1 1.105 0.003 . . . . . . 73 A QB . 16927 1 842 . 1 1 73 73 ALA HB3 H 1 1.105 0.003 . . . . . . 73 A QB . 16927 1 843 . 1 1 73 73 ALA C C 13 175.486 0.000 . 1 . . . . 73 A C . 16927 1 844 . 1 1 73 73 ALA CA C 13 51.733 0.129 . 1 . . . . 73 A CA . 16927 1 845 . 1 1 73 73 ALA CB C 13 21.393 0.055 . 1 . . . . 73 A CB . 16927 1 846 . 1 1 73 73 ALA N N 15 122.879 0.013 . 1 . . . . 73 A N . 16927 1 847 . 1 1 74 74 GLU H H 1 8.424 0.005 . 1 . . . . 74 E HN . 16927 1 848 . 1 1 74 74 GLU HA H 1 4.051 0.004 . 1 . . . . 74 E HA . 16927 1 849 . 1 1 74 74 GLU HB2 H 1 1.915 0.006 . 2 . . . . 74 E QB . 16927 1 850 . 1 1 74 74 GLU HB3 H 1 1.915 0.006 . 2 . . . . 74 E QB . 16927 1 851 . 1 1 74 74 GLU HG2 H 1 2.209 0.006 . 2 . . . . 74 E QG . 16927 1 852 . 1 1 74 74 GLU HG3 H 1 2.209 0.006 . 2 . . . . 74 E QG . 16927 1 853 . 1 1 74 74 GLU C C 13 177.567 0.000 . 1 . . . . 74 E C . 16927 1 854 . 1 1 74 74 GLU CA C 13 57.785 0.026 . 1 . . . . 74 E CA . 16927 1 855 . 1 1 74 74 GLU CB C 13 29.855 0.066 . 1 . . . . 74 E CB . 16927 1 856 . 1 1 74 74 GLU CG C 13 36.031 0.050 . 1 . . . . 74 E CG . 16927 1 857 . 1 1 74 74 GLU N N 15 121.379 0.016 . 1 . . . . 74 E N . 16927 1 858 . 1 1 75 75 GLY H H 1 8.772 0.007 . 1 . . . . 75 G HN . 16927 1 859 . 1 1 75 75 GLY HA2 H 1 3.729 0.003 . . . . . . 75 G HA1 . 16927 1 860 . 1 1 75 75 GLY HA3 H 1 4.022 0.009 . 2 . . . . 75 G HA2 . 16927 1 861 . 1 1 75 75 GLY C C 13 173.018 0.000 . 1 . . . . 75 G C . 16927 1 862 . 1 1 75 75 GLY CA C 13 45.892 0.042 . 1 . . . . 75 G CA . 16927 1 863 . 1 1 75 75 GLY N N 15 112.342 0.008 . 1 . . . . 75 G N . 16927 1 864 . 1 1 76 76 VAL H H 1 7.229 0.003 . 1 . . . . 76 V HN . 16927 1 865 . 1 1 76 76 VAL HA H 1 5.198 0.003 . 1 . . . . 76 V HA . 16927 1 866 . 1 1 76 76 VAL HB H 1 2.009 0.008 . 1 . . . . 76 V HB . 16927 1 867 . 1 1 76 76 VAL HG11 H 1 0.402 0.007 . . . . . . 76 V QG1 . 16927 1 868 . 1 1 76 76 VAL HG12 H 1 0.402 0.007 . . . . . . 76 V QG1 . 16927 1 869 . 1 1 76 76 VAL HG13 H 1 0.402 0.007 . . . . . . 76 V QG1 . 16927 1 870 . 1 1 76 76 VAL HG21 H 1 0.599 0.006 . . . . . . 76 V QG2 . 16927 1 871 . 1 1 76 76 VAL HG22 H 1 0.599 0.006 . . . . . . 76 V QG2 . 16927 1 872 . 1 1 76 76 VAL HG23 H 1 0.599 0.006 . . . . . . 76 V QG2 . 16927 1 873 . 1 1 76 76 VAL C C 13 175.477 0.000 . 1 . . . . 76 V C . 16927 1 874 . 1 1 76 76 VAL CA C 13 58.067 0.032 . 1 . . . . 76 V CA . 16927 1 875 . 1 1 76 76 VAL CB C 13 36.056 0.087 . 1 . . . . 76 V CB . 16927 1 876 . 1 1 76 76 VAL CG1 C 13 19.237 0.021 . 2 . . . . 76 V CG1 . 16927 1 877 . 1 1 76 76 VAL CG2 C 13 21.967 0.065 . 2 . . . . 76 V CG2 . 16927 1 878 . 1 1 76 76 VAL N N 15 108.205 0.010 . 1 . . . . 76 V N . 16927 1 879 . 1 1 77 77 THR H H 1 8.587 0.005 . 1 . . . . 77 T HN . 16927 1 880 . 1 1 77 77 THR HA H 1 4.534 0.005 . 1 . . . . 77 T HA . 16927 1 881 . 1 1 77 77 THR HB H 1 4.026 0.006 . 1 . . . . 77 T HB . 16927 1 882 . 1 1 77 77 THR HG21 H 1 1.199 0.006 . . . . . . 77 T QG2 . 16927 1 883 . 1 1 77 77 THR HG22 H 1 1.199 0.006 . . . . . . 77 T QG2 . 16927 1 884 . 1 1 77 77 THR HG23 H 1 1.199 0.006 . . . . . . 77 T QG2 . 16927 1 885 . 1 1 77 77 THR C C 13 173.196 0.000 . 1 . . . . 77 T C . 16927 1 886 . 1 1 77 77 THR CA C 13 61.579 0.061 . 1 . . . . 77 T CA . 16927 1 887 . 1 1 77 77 THR CB C 13 70.528 0.042 . 1 . . . . 77 T CB . 16927 1 888 . 1 1 77 77 THR CG2 C 13 21.801 0.106 . 1 . . . . 77 T CG2 . 16927 1 889 . 1 1 77 77 THR N N 15 115.455 0.015 . 1 . . . . 77 T N . 16927 1 890 . 1 1 78 78 VAL H H 1 8.372 0.005 . 1 . . . . 78 V HN . 16927 1 891 . 1 1 78 78 VAL HA H 1 4.570 0.005 . 1 . . . . 78 V HA . 16927 1 892 . 1 1 78 78 VAL HB H 1 1.698 0.004 . 1 . . . . 78 V HB . 16927 1 893 . 1 1 78 78 VAL HG11 H 1 0.621 0.007 . . . . . . 78 V QG1 . 16927 1 894 . 1 1 78 78 VAL HG12 H 1 0.621 0.007 . . . . . . 78 V QG1 . 16927 1 895 . 1 1 78 78 VAL HG13 H 1 0.621 0.007 . . . . . . 78 V QG1 . 16927 1 896 . 1 1 78 78 VAL HG21 H 1 0.772 0.005 . . . . . . 78 V QG2 . 16927 1 897 . 1 1 78 78 VAL HG22 H 1 0.772 0.005 . . . . . . 78 V QG2 . 16927 1 898 . 1 1 78 78 VAL HG23 H 1 0.772 0.005 . . . . . . 78 V QG2 . 16927 1 899 . 1 1 78 78 VAL C C 13 174.695 0.000 . 1 . . . . 78 V C . 16927 1 900 . 1 1 78 78 VAL CA C 13 61.543 0.010 . 1 . . . . 78 V CA . 16927 1 901 . 1 1 78 78 VAL CB C 13 33.239 0.063 . 1 . . . . 78 V CB . 16927 1 902 . 1 1 78 78 VAL CG1 C 13 21.696 0.069 . 2 . . . . 78 V CG1 . 16927 1 903 . 1 1 78 78 VAL CG2 C 13 22.610 0.139 . 2 . . . . 78 V CG2 . 16927 1 904 . 1 1 78 78 VAL N N 15 124.810 0.014 . 1 . . . . 78 V N . 16927 1 905 . 1 1 79 79 GLN H H 1 9.196 0.007 . 1 . . . . 79 Q HN . 16927 1 906 . 1 1 79 79 GLN HE21 H 1 6.747 0.000 . 2 . . . . 79 Q HE21 . 16927 1 907 . 1 1 79 79 GLN HE22 H 1 7.360 0.000 . 2 . . . . 79 Q HE22 . 16927 1 908 . 1 1 79 79 GLN CA C 13 52.254 0.000 . 1 . . . . 79 Q CA . 16927 1 909 . 1 1 79 79 GLN CB C 13 32.025 0.000 . 1 . . . . 79 Q CB . 16927 1 910 . 1 1 79 79 GLN N N 15 125.580 0.012 . 1 . . . . 79 Q N . 16927 1 911 . 1 1 79 79 GLN NE2 N 15 110.936 0.001 . 1 . . . . 79 Q NE2 . 16927 1 912 . 1 1 80 80 PRO HA H 1 4.889 0.014 . 1 . . . . 80 P HA . 16927 1 913 . 1 1 80 80 PRO HB2 H 1 2.431 0.032 . 2 . . . . 80 P HB2 . 16927 1 914 . 1 1 80 80 PRO HB3 H 1 2.517 0.003 . 2 . . . . 80 P HB3 . 16927 1 915 . 1 1 80 80 PRO HD2 H 1 3.430 0.005 . 2 . . . . 80 P HD2 . 16927 1 916 . 1 1 80 80 PRO HD3 H 1 3.700 0.007 . 2 . . . . 80 P HD3 . 16927 1 917 . 1 1 80 80 PRO HG2 H 1 1.873 0.006 . 2 . . . . 80 P HG2 . 16927 1 918 . 1 1 80 80 PRO HG3 H 1 1.936 0.003 . 2 . . . . 80 P HG3 . 16927 1 919 . 1 1 80 80 PRO C C 13 173.858 0.000 . 1 . . . . 80 P C . 16927 1 920 . 1 1 80 80 PRO CA C 13 63.374 0.068 . 1 . . . . 80 P CA . 16927 1 921 . 1 1 80 80 PRO CB C 13 34.760 0.040 . 1 . . . . 80 P CB . 16927 1 922 . 1 1 80 80 PRO CD C 13 49.594 0.031 . 1 . . . . 80 P CD . 16927 1 923 . 1 1 80 80 PRO CG C 13 24.882 0.063 . 1 . . . . 80 P CG . 16927 1 924 . 1 1 81 81 SER H H 1 8.296 0.005 . 1 . . . . 81 S HN . 16927 1 925 . 1 1 81 81 SER HA H 1 4.248 0.005 . 1 . . . . 81 S HA . 16927 1 926 . 1 1 81 81 SER C C 13 174.386 0.000 . 1 . . . . 81 S C . 16927 1 927 . 1 1 81 81 SER CA C 13 59.336 0.043 . 1 . . . . 81 S CA . 16927 1 928 . 1 1 81 81 SER CB C 13 63.968 0.030 . 1 . . . . 81 S CB . 16927 1 929 . 1 1 81 81 SER N N 15 108.581 0.016 . 1 . . . . 81 S N . 16927 1 930 . 1 1 82 82 THR H H 1 7.322 0.004 . 1 . . . . 82 T HN . 16927 1 931 . 1 1 82 82 THR HA H 1 5.435 0.002 . 1 . . . . 82 T HA . 16927 1 932 . 1 1 82 82 THR HB H 1 3.898 0.005 . 1 . . . . 82 T HB . 16927 1 933 . 1 1 82 82 THR HG21 H 1 1.072 0.005 . . . . . . 82 T QG2 . 16927 1 934 . 1 1 82 82 THR HG22 H 1 1.072 0.005 . . . . . . 82 T QG2 . 16927 1 935 . 1 1 82 82 THR HG23 H 1 1.072 0.005 . . . . . . 82 T QG2 . 16927 1 936 . 1 1 82 82 THR C C 13 173.397 0.000 . 1 . . . . 82 T C . 16927 1 937 . 1 1 82 82 THR CA C 13 59.278 0.061 . 1 . . . . 82 T CA . 16927 1 938 . 1 1 82 82 THR CB C 13 72.610 0.103 . 1 . . . . 82 T CB . 16927 1 939 . 1 1 82 82 THR CG2 C 13 21.777 0.209 . 1 . . . . 82 T CG2 . 16927 1 940 . 1 1 82 82 THR N N 15 110.980 0.008 . 1 . . . . 82 T N . 16927 1 941 . 1 1 83 83 VAL H H 1 8.381 0.005 . 1 . . . . 83 V HN . 16927 1 942 . 1 1 83 83 VAL HA H 1 4.633 0.007 . 1 . . . . 83 V HA . 16927 1 943 . 1 1 83 83 VAL HB H 1 2.222 0.007 . 1 . . . . 83 V HB . 16927 1 944 . 1 1 83 83 VAL HG11 H 1 0.829 0.004 . . . . . . 83 V QG1 . 16927 1 945 . 1 1 83 83 VAL HG12 H 1 0.829 0.004 . . . . . . 83 V QG1 . 16927 1 946 . 1 1 83 83 VAL HG13 H 1 0.829 0.004 . . . . . . 83 V QG1 . 16927 1 947 . 1 1 83 83 VAL HG21 H 1 0.871 0.006 . . . . . . 83 V QG2 . 16927 1 948 . 1 1 83 83 VAL HG22 H 1 0.871 0.006 . . . . . . 83 V QG2 . 16927 1 949 . 1 1 83 83 VAL HG23 H 1 0.871 0.006 . . . . . . 83 V QG2 . 16927 1 950 . 1 1 83 83 VAL C C 13 172.784 0.000 . 1 . . . . 83 V C . 16927 1 951 . 1 1 83 83 VAL CA C 13 59.717 0.059 . 1 . . . . 83 V CA . 16927 1 952 . 1 1 83 83 VAL CB C 13 36.136 0.038 . 1 . . . . 83 V CB . 16927 1 953 . 1 1 83 83 VAL CG1 C 13 21.792 0.059 . 2 . . . . 83 V CG1 . 16927 1 954 . 1 1 83 83 VAL CG2 C 13 20.273 0.075 . 2 . . . . 83 V CG2 . 16927 1 955 . 1 1 83 83 VAL N N 15 114.711 0.012 . 1 . . . . 83 V N . 16927 1 956 . 1 1 84 84 LYS H H 1 8.947 0.006 . 1 . . . . 84 K HN . 16927 1 957 . 1 1 84 84 LYS HA H 1 5.120 0.007 . 1 . . . . 84 K HA . 16927 1 958 . 1 1 84 84 LYS HB2 H 1 1.631 0.006 . 2 . . . . 84 K QB . 16927 1 959 . 1 1 84 84 LYS HB3 H 1 1.631 0.006 . 2 . . . . 84 K QB . 16927 1 960 . 1 1 84 84 LYS HE2 H 1 2.897 0.004 . 2 . . . . 84 K QE . 16927 1 961 . 1 1 84 84 LYS HE3 H 1 2.897 0.004 . 2 . . . . 84 K QE . 16927 1 962 . 1 1 84 84 LYS HG2 H 1 1.215 0.003 . 2 . . . . 84 K HG2 . 16927 1 963 . 1 1 84 84 LYS HG3 H 1 1.323 0.011 . 2 . . . . 84 K HG3 . 16927 1 964 . 1 1 84 84 LYS C C 13 175.577 0.000 . 1 . . . . 84 K C . 16927 1 965 . 1 1 84 84 LYS CA C 13 55.200 0.049 . 1 . . . . 84 K CA . 16927 1 966 . 1 1 84 84 LYS CB C 13 34.340 0.039 . 1 . . . . 84 K CB . 16927 1 967 . 1 1 84 84 LYS CD C 13 29.273 0.000 . 1 . . . . 84 K CD . 16927 1 968 . 1 1 84 84 LYS CE C 13 41.913 0.021 . 1 . . . . 84 K CE . 16927 1 969 . 1 1 84 84 LYS CG C 13 25.001 0.070 . 1 . . . . 84 K CG . 16927 1 970 . 1 1 84 84 LYS N N 15 124.644 0.013 . 1 . . . . 84 K N . 16927 1 971 . 1 1 85 85 VAL H H 1 9.159 0.008 . 1 . . . . 85 V HN . 16927 1 972 . 1 1 85 85 VAL HA H 1 4.837 0.008 . 1 . . . . 85 V HA . 16927 1 973 . 1 1 85 85 VAL HB H 1 1.743 0.004 . 1 . . . . 85 V HB . 16927 1 974 . 1 1 85 85 VAL HG11 H 1 0.561 0.003 . . . . . . 85 V QG1 . 16927 1 975 . 1 1 85 85 VAL HG12 H 1 0.561 0.003 . . . . . . 85 V QG1 . 16927 1 976 . 1 1 85 85 VAL HG13 H 1 0.561 0.003 . . . . . . 85 V QG1 . 16927 1 977 . 1 1 85 85 VAL HG21 H 1 0.770 0.006 . . . . . . 85 V QG2 . 16927 1 978 . 1 1 85 85 VAL HG22 H 1 0.770 0.006 . . . . . . 85 V QG2 . 16927 1 979 . 1 1 85 85 VAL HG23 H 1 0.770 0.006 . . . . . . 85 V QG2 . 16927 1 980 . 1 1 85 85 VAL C C 13 172.925 0.000 . 1 . . . . 85 V C . 16927 1 981 . 1 1 85 85 VAL CA C 13 58.926 0.030 . 1 . . . . 85 V CA . 16927 1 982 . 1 1 85 85 VAL CB C 13 35.182 0.040 . 1 . . . . 85 V CB . 16927 1 983 . 1 1 85 85 VAL CG1 C 13 22.602 0.049 . 2 . . . . 85 V CG1 . 16927 1 984 . 1 1 85 85 VAL CG2 C 13 20.473 0.042 . 2 . . . . 85 V CG2 . 16927 1 985 . 1 1 85 85 VAL N N 15 123.603 0.011 . 1 . . . . 85 V N . 16927 1 986 . 1 1 86 86 ASN H H 1 8.882 0.006 . 1 . . . . 86 N HN . 16927 1 987 . 1 1 86 86 ASN HA H 1 5.056 0.009 . 1 . . . . 86 N HA . 16927 1 988 . 1 1 86 86 ASN HB2 H 1 2.651 0.005 . 2 . . . . 86 N QB . 16927 1 989 . 1 1 86 86 ASN HB3 H 1 2.651 0.005 . 2 . . . . 86 N QB . 16927 1 990 . 1 1 86 86 ASN HD21 H 1 6.875 0.000 . 2 . . . . 86 N HD21 . 16927 1 991 . 1 1 86 86 ASN HD22 H 1 7.125 0.001 . 2 . . . . 86 N HD22 . 16927 1 992 . 1 1 86 86 ASN C C 13 174.399 0.000 . 1 . . . . 86 N C . 16927 1 993 . 1 1 86 86 ASN CA C 13 52.652 0.029 . 1 . . . . 86 N CA . 16927 1 994 . 1 1 86 86 ASN CB C 13 39.822 0.069 . 1 . . . . 86 N CB . 16927 1 995 . 1 1 86 86 ASN N N 15 125.655 0.016 . 1 . . . . 86 N N . 16927 1 996 . 1 1 86 86 ASN ND2 N 15 113.562 0.021 . 1 . . . . 86 N ND2 . 16927 1 997 . 1 1 87 87 LEU H H 1 9.165 0.006 . 1 . . . . 87 L HN . 16927 1 998 . 1 1 87 87 LEU HA H 1 4.960 0.012 . 1 . . . . 87 L HA . 16927 1 999 . 1 1 87 87 LEU HB2 H 1 1.101 0.006 . 2 . . . . 87 L HB2 . 16927 1 1000 . 1 1 87 87 LEU HB3 H 1 1.905 0.005 . 2 . . . . 87 L HB3 . 16927 1 1001 . 1 1 87 87 LEU HD11 H 1 0.674 0.006 . . . . . . 87 L QD1 . 16927 1 1002 . 1 1 87 87 LEU HD12 H 1 0.674 0.006 . . . . . . 87 L QD1 . 16927 1 1003 . 1 1 87 87 LEU HD13 H 1 0.674 0.006 . . . . . . 87 L QD1 . 16927 1 1004 . 1 1 87 87 LEU HD21 H 1 0.700 0.008 . . . . . . 87 L QD2 . 16927 1 1005 . 1 1 87 87 LEU HD22 H 1 0.700 0.008 . . . . . . 87 L QD2 . 16927 1 1006 . 1 1 87 87 LEU HD23 H 1 0.700 0.008 . . . . . . 87 L QD2 . 16927 1 1007 . 1 1 87 87 LEU HG H 1 1.531 0.011 . 1 . . . . 87 L HG . 16927 1 1008 . 1 1 87 87 LEU C C 13 175.068 0.000 . 1 . . . . 87 L C . 16927 1 1009 . 1 1 87 87 LEU CA C 13 54.130 0.095 . 1 . . . . 87 L CA . 16927 1 1010 . 1 1 87 87 LEU CB C 13 42.368 0.039 . 1 . . . . 87 L CB . 16927 1 1011 . 1 1 87 87 LEU CD1 C 13 24.427 0.051 . 2 . . . . 87 L CD1 . 16927 1 1012 . 1 1 87 87 LEU CD2 C 13 26.347 0.070 . 2 . . . . 87 L CD2 . 16927 1 1013 . 1 1 87 87 LEU N N 15 124.746 0.019 . 1 . . . . 87 L N . 16927 1 1014 . 1 1 88 88 LYS H H 1 8.956 0.006 . 1 . . . . 88 K HN . 16927 1 1015 . 1 1 88 88 LYS HA H 1 4.679 0.012 . 1 . . . . 88 K HA . 16927 1 1016 . 1 1 88 88 LYS HB2 H 1 1.463 0.006 . 2 . . . . 88 K HB2 . 16927 1 1017 . 1 1 88 88 LYS HB3 H 1 1.727 0.003 . 2 . . . . 88 K HB3 . 16927 1 1018 . 1 1 88 88 LYS HE2 H 1 2.875 0.005 . 2 . . . . 88 K QE . 16927 1 1019 . 1 1 88 88 LYS HE3 H 1 2.875 0.005 . 2 . . . . 88 K QE . 16927 1 1020 . 1 1 88 88 LYS HG2 H 1 1.218 0.005 . 2 . . . . 88 K QG . 16927 1 1021 . 1 1 88 88 LYS HG3 H 1 1.218 0.005 . 2 . . . . 88 K QG . 16927 1 1022 . 1 1 88 88 LYS C C 13 176.063 0.000 . 1 . . . . 88 K C . 16927 1 1023 . 1 1 88 88 LYS CA C 13 54.159 0.077 . 1 . . . . 88 K CA . 16927 1 1024 . 1 1 88 88 LYS CB C 13 33.284 0.064 . 1 . . . . 88 K CB . 16927 1 1025 . 1 1 88 88 LYS CD C 13 28.495 0.000 . 1 . . . . 88 K CD . 16927 1 1026 . 1 1 88 88 LYS CE C 13 42.084 0.059 . 1 . . . . 88 K CE . 16927 1 1027 . 1 1 88 88 LYS CG C 13 24.206 0.000 . 1 . . . . 88 K CG . 16927 1 1028 . 1 1 88 88 LYS N N 15 126.048 0.015 . 1 . . . . 88 K N . 16927 1 1029 . 1 1 89 89 VAL H H 1 9.267 0.006 . 1 . . . . 89 V HN . 16927 1 1030 . 1 1 89 89 VAL HA H 1 4.443 0.006 . 1 . . . . 89 V HA . 16927 1 1031 . 1 1 89 89 VAL HB H 1 1.883 0.015 . 1 . . . . 89 V HB . 16927 1 1032 . 1 1 89 89 VAL HG11 H 1 0.614 0.007 . . . . . . 89 V QG1 . 16927 1 1033 . 1 1 89 89 VAL HG12 H 1 0.614 0.007 . . . . . . 89 V QG1 . 16927 1 1034 . 1 1 89 89 VAL HG13 H 1 0.614 0.007 . . . . . . 89 V QG1 . 16927 1 1035 . 1 1 89 89 VAL HG21 H 1 0.659 0.017 . . . . . . 89 V QG2 . 16927 1 1036 . 1 1 89 89 VAL HG22 H 1 0.659 0.017 . . . . . . 89 V QG2 . 16927 1 1037 . 1 1 89 89 VAL HG23 H 1 0.659 0.017 . . . . . . 89 V QG2 . 16927 1 1038 . 1 1 89 89 VAL C C 13 175.897 0.000 . 1 . . . . 89 V C . 16927 1 1039 . 1 1 89 89 VAL CA C 13 61.691 0.002 . 1 . . . . 89 V CA . 16927 1 1040 . 1 1 89 89 VAL CB C 13 34.410 0.030 . 1 . . . . 89 V CB . 16927 1 1041 . 1 1 89 89 VAL CG1 C 13 21.691 0.056 . 2 . . . . 89 V CG1 . 16927 1 1042 . 1 1 89 89 VAL CG2 C 13 22.540 0.118 . 2 . . . . 89 V CG2 . 16927 1 1043 . 1 1 89 89 VAL N N 15 127.846 0.015 . 1 . . . . 89 V N . 16927 1 1044 . 1 1 90 90 THR H H 1 8.703 0.006 . 1 . . . . 90 T HN . 16927 1 1045 . 1 1 90 90 THR HA H 1 4.540 0.002 . 1 . . . . 90 T HA . 16927 1 1046 . 1 1 90 90 THR HB H 1 4.072 0.008 . 1 . . . . 90 T HB . 16927 1 1047 . 1 1 90 90 THR HG21 H 1 1.193 0.008 . . . . . . 90 T QG2 . 16927 1 1048 . 1 1 90 90 THR HG22 H 1 1.193 0.008 . . . . . . 90 T QG2 . 16927 1 1049 . 1 1 90 90 THR HG23 H 1 1.193 0.008 . . . . . . 90 T QG2 . 16927 1 1050 . 1 1 90 90 THR C C 13 174.413 0.000 . 1 . . . . 90 T C . 16927 1 1051 . 1 1 90 90 THR CA C 13 61.894 0.069 . 1 . . . . 90 T CA . 16927 1 1052 . 1 1 90 90 THR CB C 13 69.381 0.078 . 1 . . . . 90 T CB . 16927 1 1053 . 1 1 90 90 THR CG2 C 13 21.248 0.057 . 1 . . . . 90 T CG2 . 16927 1 1054 . 1 1 90 90 THR N N 15 123.430 0.018 . 1 . . . . 90 T N . 16927 1 1055 . 1 1 91 91 GLN H H 1 9.108 0.008 . 1 . . . . 91 Q HN . 16927 1 1056 . 1 1 91 91 GLN HA H 1 4.591 0.009 . 1 . . . . 91 Q HA . 16927 1 1057 . 1 1 91 91 GLN HB2 H 1 1.900 0.007 . 2 . . . . 91 Q HB2 . 16927 1 1058 . 1 1 91 91 GLN HB3 H 1 2.276 0.006 . 2 . . . . 91 Q HB3 . 16927 1 1059 . 1 1 91 91 GLN HE21 H 1 6.888 0.004 . 2 . . . . 91 Q HE21 . 16927 1 1060 . 1 1 91 91 GLN HE22 H 1 7.690 0.002 . 2 . . . . 91 Q HE22 . 16927 1 1061 . 1 1 91 91 GLN HG2 H 1 2.315 0.006 . 2 . . . . 91 Q HG2 . 16927 1 1062 . 1 1 91 91 GLN HG3 H 1 2.466 0.009 . 2 . . . . 91 Q HG3 . 16927 1 1063 . 1 1 91 91 GLN C C 13 176.269 0.000 . 1 . . . . 91 Q C . 16927 1 1064 . 1 1 91 91 GLN CA C 13 55.439 0.057 . 1 . . . . 91 Q CA . 16927 1 1065 . 1 1 91 91 GLN CB C 13 29.741 0.036 . 1 . . . . 91 Q CB . 16927 1 1066 . 1 1 91 91 GLN CG C 13 33.949 0.026 . 1 . . . . 91 Q CG . 16927 1 1067 . 1 1 91 91 GLN N N 15 127.396 0.012 . 1 . . . . 91 Q N . 16927 1 1068 . 1 1 91 91 GLN NE2 N 15 112.195 0.016 . 1 . . . . 91 Q NE2 . 16927 1 1069 . 1 1 92 92 LYS H H 1 8.344 0.004 . 1 . . . . 92 K HN . 16927 1 1070 . 1 1 92 92 LYS CA C 13 57.366 0.000 . 1 . . . . 92 K CA . 16927 1 1071 . 1 1 92 92 LYS CB C 13 33.604 0.000 . 1 . . . . 92 K CB . 16927 1 1072 . 1 1 92 92 LYS N N 15 122.191 0.014 . 1 . . . . 92 K N . 16927 1 1073 . 1 1 93 93 LEU HA H 1 4.324 0.004 . 1 . . . . 93 L HA . 16927 1 1074 . 1 1 93 93 LEU HB2 H 1 1.462 0.002 . 2 . . . . 93 L HB2 . 16927 1 1075 . 1 1 93 93 LEU HB3 H 1 1.553 0.000 . 2 . . . . 93 L HB3 . 16927 1 1076 . 1 1 93 93 LEU HD11 H 1 0.834 0.012 . . . . . . 93 L QD1 . 16927 1 1077 . 1 1 93 93 LEU HD12 H 1 0.834 0.012 . . . . . . 93 L QD1 . 16927 1 1078 . 1 1 93 93 LEU HD13 H 1 0.834 0.012 . . . . . . 93 L QD1 . 16927 1 1079 . 1 1 93 93 LEU HD21 H 1 0.875 0.005 . . . . . . 93 L QD2 . 16927 1 1080 . 1 1 93 93 LEU HD22 H 1 0.875 0.005 . . . . . . 93 L QD2 . 16927 1 1081 . 1 1 93 93 LEU HD23 H 1 0.875 0.005 . . . . . . 93 L QD2 . 16927 1 1082 . 1 1 93 93 LEU C C 13 176.917 0.000 . 1 . . . . 93 L C . 16927 1 1083 . 1 1 93 93 LEU CA C 13 55.011 0.009 . 1 . . . . 93 L CA . 16927 1 1084 . 1 1 93 93 LEU CB C 13 42.493 0.055 . 1 . . . . 93 L CB . 16927 1 1085 . 1 1 93 93 LEU CD1 C 13 23.569 0.050 . 2 . . . . 93 L CD1 . 16927 1 1086 . 1 1 93 93 LEU CD2 C 13 24.827 0.052 . 2 . . . . 93 L CD2 . 16927 1 1087 . 1 1 94 94 GLU H H 1 8.401 0.004 . 1 . . . . 94 E HN . 16927 1 1088 . 1 1 94 94 GLU HA H 1 4.186 0.006 . 1 . . . . 94 E HA . 16927 1 1089 . 1 1 94 94 GLU HB2 H 1 1.858 0.004 . 2 . . . . 94 E QB . 16927 1 1090 . 1 1 94 94 GLU HB3 H 1 1.858 0.004 . 2 . . . . 94 E QB . 16927 1 1091 . 1 1 94 94 GLU HG2 H 1 2.138 0.001 . 2 . . . . 94 E QG . 16927 1 1092 . 1 1 94 94 GLU HG3 H 1 2.138 0.001 . 2 . . . . 94 E QG . 16927 1 1093 . 1 1 94 94 GLU CA C 13 56.514 0.011 . 1 . . . . 94 E CA . 16927 1 1094 . 1 1 94 94 GLU CB C 13 30.455 0.050 . 1 . . . . 94 E CB . 16927 1 1095 . 1 1 94 94 GLU CG C 13 36.185 0.062 . 1 . . . . 94 E CG . 16927 1 1096 . 1 1 94 94 GLU N N 15 121.797 0.011 . 1 . . . . 94 E N . 16927 1 1097 . 1 1 95 95 HIS H H 1 8.312 0.004 . 1 . . . . 95 H HN . 16927 1 1098 . 1 1 95 95 HIS CA C 13 56.159 0.000 . 1 . . . . 95 H CA . 16927 1 1099 . 1 1 95 95 HIS N N 15 120.161 0.013 . 1 . . . . 95 H N . 16927 1 stop_ save_