data_19635 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19635 _Entry.Title ; Solution structure of TpsB4 N-terminal POTRA domain from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-25 _Entry.Accession_date 2013-11-25 _Entry.Last_release_date 2014-12-22 _Entry.Original_release_date 2014-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Garnett . A. . 19635 2 Steve Matthews . J. . 19635 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 'not applicable' 'not applicable' . 19635 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID biofilm . 19635 peptide . 19635 protein . 19635 secretion . 19635 'two partner secreation' . 19635 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19635 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 19635 '15N chemical shifts' 83 19635 '1H chemical shifts' 607 19635 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-12-22 2013-11-25 original author . 19635 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHJ 'BMRB Entry Tracking System' 19635 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19635 _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 'Structure-function analysis reveals a dual role of the Pseudomonas aeruginosa Tps4 two-partner secretion system' _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 James Garnett . A. . 19635 1 2 Steve Matthews . J. . 19635 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19635 _Assembly.ID 1 _Assembly.Name 'Pseudomonas aeruginosa Tps4 two-partner secretion system' _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 TpsB4 1 $TpsB4 A . yes native no no . . . 19635 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TpsB4 _Entity.Sf_category entity _Entity.Sf_framecode TpsB4 _Entity.Entry_ID 19635 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TpsB4 _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 ; MAHHHHHHVDDDDKMGGPTV LVKRFQLSGNRQFDDRRLLA LLHDLPGQELNLSQLHAAAA RIGDFYQEKGYVLARAFLPA QEIQDGTVRIEVLEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-15 represent a non-native affinity tag. Residues 16-95 correspond to residues 42-121 of mature TpsB4.' _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'POTRA domain 1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10764.220 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-06-22 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 DBJ BAK87931 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 84.21 541 98.75 100.00 1.97e-44 . . . . 19635 1 2 no DBJ BAP21481 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa]" . . . . . 84.21 541 98.75 100.00 1.97e-44 . . . . 19635 1 3 no DBJ BAP53040 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa]" . . . . . 84.21 541 98.75 100.00 1.97e-44 . . . . 19635 1 4 no DBJ BAQ42187 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa]" . . . . . 84.21 541 98.75 100.00 1.95e-44 . . . . 19635 1 5 no DBJ BAR69849 . "hemolysin activation/secretion protein [Pseudomonas aeruginosa]" . . . . . 84.21 541 100.00 100.00 4.88e-45 . . . . 19635 1 6 no EMBL CAW29677 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa LESB58]" . . . . . 84.21 545 98.75 100.00 2.00e-44 . . . . 19635 1 7 no EMBL CCQ83911 . "Hemolysin activation/secretion protein associated with VreARI signalling system [Pseudomonas aeruginosa 18A]" . . . . . 84.21 541 100.00 100.00 5.57e-45 . . . . 19635 1 8 no EMBL CDH73159 . "hypothetical protein P38_4959 [Pseudomonas aeruginosa MH38]" . . . . . 84.21 541 100.00 100.00 4.98e-45 . . . . 19635 1 9 no EMBL CDH79418 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa MH27]" . . . . . 84.21 541 98.75 100.00 1.97e-44 . . . . 19635 1 10 no EMBL CDI95309 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa PA38182]" . . . . . 84.21 541 100.00 100.00 4.98e-45 . . . . 19635 1 11 no GB AAG07928 . "hypothetical protein PA4540 [Pseudomonas aeruginosa PAO1]" . . . . . 84.21 545 100.00 100.00 5.22e-45 . . . . 19635 1 12 no GB ABJ13808 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 84.21 545 97.50 98.75 1.59e-43 . . . . 19635 1 13 no GB AEO77112 . "putative hemolysin activation/secretion protein [Pseudomonas aeruginosa M18]" . . . . . 84.21 541 98.75 100.00 7.70e-45 . . . . 19635 1 14 no GB AFM66993 . "hypothetical protein PADK2_23650 [Pseudomonas aeruginosa DK2]" . . . . . 84.21 541 98.75 98.75 1.89e-44 . . . . 19635 1 15 no GB AGI83581 . "hemolysin activation/secretion protein [Pseudomonas aeruginosa B136-33]" . . . . . 84.21 541 98.75 100.00 2.05e-44 . . . . 19635 1 16 no REF NP_253230 . "hypothetical protein PA4540 [Pseudomonas aeruginosa PAO1]" . . . . . 84.21 545 100.00 100.00 5.22e-45 . . . . 19635 1 17 no REF WP_003094678 . "membrane protein [Pseudomonas aeruginosa]" . . . . . 84.21 545 98.75 100.00 2.02e-44 . . . . 19635 1 18 no REF WP_003112835 . "membrane protein [Pseudomonas aeruginosa]" . . . . . 84.21 541 100.00 100.00 4.98e-45 . . . . 19635 1 19 no REF WP_003120951 . "membrane protein [Pseudomonas aeruginosa]" . . . . . 84.21 545 98.75 100.00 2.00e-44 . . . . 19635 1 20 no REF WP_003122077 . "membrane protein [Pseudomonas aeruginosa]" . . . . . 84.21 545 98.75 100.00 2.00e-44 . . . . 19635 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19635 1 2 2 ALA . 19635 1 3 3 HIS . 19635 1 4 4 HIS . 19635 1 5 5 HIS . 19635 1 6 6 HIS . 19635 1 7 7 HIS . 19635 1 8 8 HIS . 19635 1 9 9 VAL . 19635 1 10 10 ASP . 19635 1 11 11 ASP . 19635 1 12 12 ASP . 19635 1 13 13 ASP . 19635 1 14 14 LYS . 19635 1 15 15 MET . 19635 1 16 16 GLY . 19635 1 17 17 GLY . 19635 1 18 18 PRO . 19635 1 19 19 THR . 19635 1 20 20 VAL . 19635 1 21 21 LEU . 19635 1 22 22 VAL . 19635 1 23 23 LYS . 19635 1 24 24 ARG . 19635 1 25 25 PHE . 19635 1 26 26 GLN . 19635 1 27 27 LEU . 19635 1 28 28 SER . 19635 1 29 29 GLY . 19635 1 30 30 ASN . 19635 1 31 31 ARG . 19635 1 32 32 GLN . 19635 1 33 33 PHE . 19635 1 34 34 ASP . 19635 1 35 35 ASP . 19635 1 36 36 ARG . 19635 1 37 37 ARG . 19635 1 38 38 LEU . 19635 1 39 39 LEU . 19635 1 40 40 ALA . 19635 1 41 41 LEU . 19635 1 42 42 LEU . 19635 1 43 43 HIS . 19635 1 44 44 ASP . 19635 1 45 45 LEU . 19635 1 46 46 PRO . 19635 1 47 47 GLY . 19635 1 48 48 GLN . 19635 1 49 49 GLU . 19635 1 50 50 LEU . 19635 1 51 51 ASN . 19635 1 52 52 LEU . 19635 1 53 53 SER . 19635 1 54 54 GLN . 19635 1 55 55 LEU . 19635 1 56 56 HIS . 19635 1 57 57 ALA . 19635 1 58 58 ALA . 19635 1 59 59 ALA . 19635 1 60 60 ALA . 19635 1 61 61 ARG . 19635 1 62 62 ILE . 19635 1 63 63 GLY . 19635 1 64 64 ASP . 19635 1 65 65 PHE . 19635 1 66 66 TYR . 19635 1 67 67 GLN . 19635 1 68 68 GLU . 19635 1 69 69 LYS . 19635 1 70 70 GLY . 19635 1 71 71 TYR . 19635 1 72 72 VAL . 19635 1 73 73 LEU . 19635 1 74 74 ALA . 19635 1 75 75 ARG . 19635 1 76 76 ALA . 19635 1 77 77 PHE . 19635 1 78 78 LEU . 19635 1 79 79 PRO . 19635 1 80 80 ALA . 19635 1 81 81 GLN . 19635 1 82 82 GLU . 19635 1 83 83 ILE . 19635 1 84 84 GLN . 19635 1 85 85 ASP . 19635 1 86 86 GLY . 19635 1 87 87 THR . 19635 1 88 88 VAL . 19635 1 89 89 ARG . 19635 1 90 90 ILE . 19635 1 91 91 GLU . 19635 1 92 92 VAL . 19635 1 93 93 LEU . 19635 1 94 94 GLU . 19635 1 95 95 GLY . 19635 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19635 1 . ALA 2 2 19635 1 . HIS 3 3 19635 1 . HIS 4 4 19635 1 . HIS 5 5 19635 1 . HIS 6 6 19635 1 . HIS 7 7 19635 1 . HIS 8 8 19635 1 . VAL 9 9 19635 1 . ASP 10 10 19635 1 . ASP 11 11 19635 1 . ASP 12 12 19635 1 . ASP 13 13 19635 1 . LYS 14 14 19635 1 . MET 15 15 19635 1 . GLY 16 16 19635 1 . GLY 17 17 19635 1 . PRO 18 18 19635 1 . THR 19 19 19635 1 . VAL 20 20 19635 1 . LEU 21 21 19635 1 . VAL 22 22 19635 1 . LYS 23 23 19635 1 . ARG 24 24 19635 1 . PHE 25 25 19635 1 . GLN 26 26 19635 1 . LEU 27 27 19635 1 . SER 28 28 19635 1 . GLY 29 29 19635 1 . ASN 30 30 19635 1 . ARG 31 31 19635 1 . GLN 32 32 19635 1 . PHE 33 33 19635 1 . ASP 34 34 19635 1 . ASP 35 35 19635 1 . ARG 36 36 19635 1 . ARG 37 37 19635 1 . LEU 38 38 19635 1 . LEU 39 39 19635 1 . ALA 40 40 19635 1 . LEU 41 41 19635 1 . LEU 42 42 19635 1 . HIS 43 43 19635 1 . ASP 44 44 19635 1 . LEU 45 45 19635 1 . PRO 46 46 19635 1 . GLY 47 47 19635 1 . GLN 48 48 19635 1 . GLU 49 49 19635 1 . LEU 50 50 19635 1 . ASN 51 51 19635 1 . LEU 52 52 19635 1 . SER 53 53 19635 1 . GLN 54 54 19635 1 . LEU 55 55 19635 1 . HIS 56 56 19635 1 . ALA 57 57 19635 1 . ALA 58 58 19635 1 . ALA 59 59 19635 1 . ALA 60 60 19635 1 . ARG 61 61 19635 1 . ILE 62 62 19635 1 . GLY 63 63 19635 1 . ASP 64 64 19635 1 . PHE 65 65 19635 1 . TYR 66 66 19635 1 . GLN 67 67 19635 1 . GLU 68 68 19635 1 . LYS 69 69 19635 1 . GLY 70 70 19635 1 . TYR 71 71 19635 1 . VAL 72 72 19635 1 . LEU 73 73 19635 1 . ALA 74 74 19635 1 . ARG 75 75 19635 1 . ALA 76 76 19635 1 . PHE 77 77 19635 1 . LEU 78 78 19635 1 . PRO 79 79 19635 1 . ALA 80 80 19635 1 . GLN 81 81 19635 1 . GLU 82 82 19635 1 . ILE 83 83 19635 1 . GLN 84 84 19635 1 . ASP 85 85 19635 1 . GLY 86 86 19635 1 . THR 87 87 19635 1 . VAL 88 88 19635 1 . ARG 89 89 19635 1 . ILE 90 90 19635 1 . GLU 91 91 19635 1 . VAL 92 92 19635 1 . LEU 93 93 19635 1 . GLU 94 94 19635 1 . GLY 95 95 19635 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 19635 _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 $TpsB4 . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa PA01 . . . . . . . . . . . . . . . PA4540 . . . . 19635 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 19635 _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 $TpsB4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 . . . . . . . . . . . . . . . 'pET46 LIC/Ek' . . . . . . 19635 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19635 _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 TpsB4 '[U-13C; U-15N]' . . 1 $TpsB4 . . 1 . . mM . . . . 19635 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19635 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19635 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19635 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 TpsB4 '[U-13C; U-15N]' . . 1 $TpsB4 . . 1 . . mM . . . . 19635 2 2 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19635 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19635 _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' 0.2 . M 19635 1 pH 7.0 . pH 19635 1 pressure 1 . atm 19635 1 temperature 310 . K 19635 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19635 _Software.ID 1 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19635 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19635 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19635 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19635 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19635 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19635 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 19635 1 2 spectrometer_2 Bruker DRX . 600 . . . 19635 1 3 spectrometer_3 Bruker DRX . 800 . . . 19635 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 19635 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19635 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19635 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19635 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19635 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19635 1 6 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19635 1 7 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19635 1 8 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19635 1 9 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19635 1 10 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19635 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19635 1 12 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19635 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19635 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ARIA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19635 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.8 internal direct 1.00000000 . . . . . . . . . 19635 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 19635 _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' . . . 19635 1 2 '2D 1H-13C HSQC aliphatic' . . . 19635 1 3 '2D 1H-13C HSQC aromatic' . . . 19635 1 4 '3D CBCA(CO)NH' . . . 19635 1 5 '3D HNCO' . . . 19635 1 6 '3D HNCACB' . . . 19635 1 7 '3D HN(CO)CA' . . . 19635 1 8 '3D H(CCO)NH' . . . 19635 1 9 '3D HCCH-TOCSY' . . . 19635 1 12 '3D HBHA(CO)NH' . . . 19635 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 8 8 HIS HA H 1 4.637 . . . . . . A 8 HIS HA . 19635 1 2 . 1 1 8 8 HIS HB2 H 1 3.038 . . . . . . A 8 HIS HB2 . 19635 1 3 . 1 1 8 8 HIS HB3 H 1 3.035 . . . . . . A 8 HIS HB3 . 19635 1 4 . 1 1 8 8 HIS HD2 H 1 6.928 . . . . . . A 8 HIS HD2 . 19635 1 5 . 1 1 8 8 HIS C C 13 174.897 . . . . . . A 8 HIS C . 19635 1 6 . 1 1 8 8 HIS CA C 13 56.534 . . . . . . A 8 HIS CA . 19635 1 7 . 1 1 8 8 HIS CB C 13 31.030 . . . . . . A 8 HIS CB . 19635 1 8 . 1 1 8 8 HIS CD2 C 13 119.921 . . . . . . A 8 HIS CD2 . 19635 1 9 . 1 1 9 9 VAL H H 1 7.998 . . . . . . A 9 VAL H . 19635 1 10 . 1 1 9 9 VAL HA H 1 4.111 . . . . . . A 9 VAL HA . 19635 1 11 . 1 1 9 9 VAL HB H 1 2.052 . . . . . . A 9 VAL HB . 19635 1 12 . 1 1 9 9 VAL HG11 H 1 0.766 . . . . . . A 9 VAL HG11 . 19635 1 13 . 1 1 9 9 VAL HG12 H 1 0.766 . . . . . . A 9 VAL HG12 . 19635 1 14 . 1 1 9 9 VAL HG13 H 1 0.766 . . . . . . A 9 VAL HG13 . 19635 1 15 . 1 1 9 9 VAL HG21 H 1 0.895 . . . . . . A 9 VAL HG21 . 19635 1 16 . 1 1 9 9 VAL HG22 H 1 0.895 . . . . . . A 9 VAL HG22 . 19635 1 17 . 1 1 9 9 VAL HG23 H 1 0.895 . . . . . . A 9 VAL HG23 . 19635 1 18 . 1 1 9 9 VAL C C 13 175.486 . . . . . . A 9 VAL C . 19635 1 19 . 1 1 9 9 VAL CA C 13 62.115 . . . . . . A 9 VAL CA . 19635 1 20 . 1 1 9 9 VAL CB C 13 33.036 . . . . . . A 9 VAL CB . 19635 1 21 . 1 1 9 9 VAL CG1 C 13 20.387 . . . . . . A 9 VAL CG1 . 19635 1 22 . 1 1 9 9 VAL CG2 C 13 21.479 . . . . . . A 9 VAL CG2 . 19635 1 23 . 1 1 9 9 VAL N N 15 121.834 . . . . . . A 9 VAL N . 19635 1 24 . 1 1 10 10 ASP HA H 1 4.583 . . . . . . A 10 ASP HA . 19635 1 25 . 1 1 10 10 ASP HB2 H 1 2.755 . . . . . . A 10 ASP HB2 . 19635 1 26 . 1 1 10 10 ASP HB3 H 1 2.629 . . . . . . A 10 ASP HB3 . 19635 1 27 . 1 1 10 10 ASP CA C 13 54.510 . . . . . . A 10 ASP CA . 19635 1 28 . 1 1 10 10 ASP CB C 13 41.545 . . . . . . A 10 ASP CB . 19635 1 29 . 1 1 11 11 ASP HA H 1 4.583 . . . . . . A 11 ASP HA . 19635 1 30 . 1 1 11 11 ASP HB2 H 1 2.755 . . . . . . A 11 ASP HB2 . 19635 1 31 . 1 1 11 11 ASP HB3 H 1 2.629 . . . . . . A 11 ASP HB3 . 19635 1 32 . 1 1 11 11 ASP C C 13 176.012 . . . . . . A 11 ASP C . 19635 1 33 . 1 1 11 11 ASP CA C 13 54.692 . . . . . . A 11 ASP CA . 19635 1 34 . 1 1 11 11 ASP CB C 13 41.545 . . . . . . A 11 ASP CB . 19635 1 35 . 1 1 12 12 ASP H H 1 8.249 . . . . . . A 12 ASP H . 19635 1 36 . 1 1 12 12 ASP HA H 1 4.581 . . . . . . A 12 ASP HA . 19635 1 37 . 1 1 12 12 ASP HB2 H 1 2.707 . . . . . . A 12 ASP HB2 . 19635 1 38 . 1 1 12 12 ASP HB3 H 1 2.638 . . . . . . A 12 ASP HB3 . 19635 1 39 . 1 1 12 12 ASP C C 13 176.385 . . . . . . A 12 ASP C . 19635 1 40 . 1 1 12 12 ASP CA C 13 54.695 . . . . . . A 12 ASP CA . 19635 1 41 . 1 1 12 12 ASP CB C 13 41.363 . . . . . . A 12 ASP CB . 19635 1 42 . 1 1 12 12 ASP N N 15 120.751 . . . . . . A 12 ASP N . 19635 1 43 . 1 1 13 13 ASP H H 1 8.291 . . . . . . A 13 ASP H . 19635 1 44 . 1 1 13 13 ASP HA H 1 4.576 . . . . . . A 13 ASP HA . 19635 1 45 . 1 1 13 13 ASP HB2 H 1 2.725 . . . . . . A 13 ASP HB2 . 19635 1 46 . 1 1 13 13 ASP HB3 H 1 2.646 . . . . . . A 13 ASP HB3 . 19635 1 47 . 1 1 13 13 ASP C C 13 176.818 . . . . . . A 13 ASP C . 19635 1 48 . 1 1 13 13 ASP CA C 13 54.877 . . . . . . A 13 ASP CA . 19635 1 49 . 1 1 13 13 ASP CB C 13 41.318 . . . . . . A 13 ASP CB . 19635 1 50 . 1 1 13 13 ASP N N 15 120.536 . . . . . . A 13 ASP N . 19635 1 51 . 1 1 14 14 LYS H H 1 8.181 . . . . . . A 14 LYS H . 19635 1 52 . 1 1 14 14 LYS HA H 1 4.303 . . . . . . A 14 LYS HA . 19635 1 53 . 1 1 14 14 LYS HB2 H 1 1.917 . . . . . . A 14 LYS HB2 . 19635 1 54 . 1 1 14 14 LYS HB3 H 1 1.852 . . . . . . A 14 LYS HB3 . 19635 1 55 . 1 1 14 14 LYS HG2 H 1 1.485 . . . . . . A 14 LYS HG2 . 19635 1 56 . 1 1 14 14 LYS HG3 H 1 1.446 . . . . . . A 14 LYS HG3 . 19635 1 57 . 1 1 14 14 LYS HD2 H 1 1.703 . . . . . . A 14 LYS HD2 . 19635 1 58 . 1 1 14 14 LYS HD3 H 1 1.693 . . . . . . A 14 LYS HD3 . 19635 1 59 . 1 1 14 14 LYS HE2 H 1 3.032 . . . . . . A 14 LYS HE2 . 19635 1 60 . 1 1 14 14 LYS HE3 H 1 3.027 . . . . . . A 14 LYS HE3 . 19635 1 61 . 1 1 14 14 LYS C C 13 177.190 . . . . . . A 14 LYS C . 19635 1 62 . 1 1 14 14 LYS CA C 13 56.788 . . . . . . A 14 LYS CA . 19635 1 63 . 1 1 14 14 LYS CB C 13 32.399 . . . . . . A 14 LYS CB . 19635 1 64 . 1 1 14 14 LYS CG C 13 24.846 . . . . . . A 14 LYS CG . 19635 1 65 . 1 1 14 14 LYS CD C 13 28.941 . . . . . . A 14 LYS CD . 19635 1 66 . 1 1 14 14 LYS CE C 13 42.046 . . . . . . A 14 LYS CE . 19635 1 67 . 1 1 14 14 LYS N N 15 120.496 . . . . . . A 14 LYS N . 19635 1 68 . 1 1 15 15 MET H H 1 8.276 . . . . . . A 15 MET H . 19635 1 69 . 1 1 15 15 MET HA H 1 4.546 . . . . . . A 15 MET HA . 19635 1 70 . 1 1 15 15 MET HB2 H 1 2.666 . . . . . . A 15 MET HB2 . 19635 1 71 . 1 1 15 15 MET HB3 H 1 2.669 . . . . . . A 15 MET HB3 . 19635 1 72 . 1 1 15 15 MET HG2 H 1 2.151 . . . . . . A 15 MET HG2 . 19635 1 73 . 1 1 15 15 MET HG3 H 1 2.132 . . . . . . A 15 MET HG3 . 19635 1 74 . 1 1 15 15 MET C C 13 176.881 . . . . . . A 15 MET C . 19635 1 75 . 1 1 15 15 MET CA C 13 55.696 . . . . . . A 15 MET CA . 19635 1 76 . 1 1 15 15 MET CB C 13 32.490 . . . . . . A 15 MET CB . 19635 1 77 . 1 1 15 15 MET CG C 13 32.945 . . . . . . A 15 MET CG . 19635 1 78 . 1 1 15 15 MET N N 15 119.518 . . . . . . A 15 MET N . 19635 1 79 . 1 1 16 16 GLY H H 1 8.373 . . . . . . A 16 GLY H . 19635 1 80 . 1 1 16 16 GLY HA2 H 1 4.051 . . . . . . A 16 GLY HA2 . 19635 1 81 . 1 1 16 16 GLY HA3 H 1 4.043 . . . . . . A 16 GLY HA3 . 19635 1 82 . 1 1 16 16 GLY C C 13 174.432 . . . . . . A 16 GLY C . 19635 1 83 . 1 1 16 16 GLY CA C 13 45.498 . . . . . . A 16 GLY CA . 19635 1 84 . 1 1 16 16 GLY N N 15 109.506 . . . . . . A 16 GLY N . 19635 1 85 . 1 1 17 17 GLY H H 1 8.116 . . . . . . A 17 GLY H . 19635 1 86 . 1 1 17 17 GLY HA2 H 1 4.309 . . . . . . A 17 GLY HA2 . 19635 1 87 . 1 1 17 17 GLY HA3 H 1 4.111 . . . . . . A 17 GLY HA3 . 19635 1 88 . 1 1 17 17 GLY C C 13 171.409 . . . . . . A 17 GLY C . 19635 1 89 . 1 1 17 17 GLY CA C 13 44.685 . . . . . . A 17 GLY CA . 19635 1 90 . 1 1 17 17 GLY N N 15 108.711 . . . . . . A 17 GLY N . 19635 1 91 . 1 1 18 18 PRO HA H 1 4.744 . . . . . . A 18 PRO HA . 19635 1 92 . 1 1 18 18 PRO HB2 H 1 2.502 . . . . . . A 18 PRO HB2 . 19635 1 93 . 1 1 18 18 PRO HB3 H 1 2.171 . . . . . . A 18 PRO HB3 . 19635 1 94 . 1 1 18 18 PRO HG2 H 1 2.003 . . . . . . A 18 PRO HG2 . 19635 1 95 . 1 1 18 18 PRO HG3 H 1 1.864 . . . . . . A 18 PRO HG3 . 19635 1 96 . 1 1 18 18 PRO HD2 H 1 3.675 . . . . . . A 18 PRO HD2 . 19635 1 97 . 1 1 18 18 PRO HD3 H 1 3.616 . . . . . . A 18 PRO HD3 . 19635 1 98 . 1 1 18 18 PRO C C 13 176.462 . . . . . . A 18 PRO C . 19635 1 99 . 1 1 18 18 PRO CA C 13 62.795 . . . . . . A 18 PRO CA . 19635 1 100 . 1 1 18 18 PRO CB C 13 35.220 . . . . . . A 18 PRO CB . 19635 1 101 . 1 1 18 18 PRO CG C 13 24.825 . . . . . . A 18 PRO CG . 19635 1 102 . 1 1 18 18 PRO CD C 13 50.519 . . . . . . A 18 PRO CD . 19635 1 103 . 1 1 19 19 THR H H 1 8.229 . . . . . . A 19 THR H . 19635 1 104 . 1 1 19 19 THR HA H 1 4.744 . . . . . . A 19 THR HA . 19635 1 105 . 1 1 19 19 THR HB H 1 3.870 . . . . . . A 19 THR HB . 19635 1 106 . 1 1 19 19 THR HG21 H 1 1.073 . . . . . . A 19 THR HG21 . 19635 1 107 . 1 1 19 19 THR HG22 H 1 1.073 . . . . . . A 19 THR HG22 . 19635 1 108 . 1 1 19 19 THR HG23 H 1 1.073 . . . . . . A 19 THR HG23 . 19635 1 109 . 1 1 19 19 THR C C 13 173.827 . . . . . . A 19 THR C . 19635 1 110 . 1 1 19 19 THR CA C 13 59.988 . . . . . . A 19 THR CA . 19635 1 111 . 1 1 19 19 THR CB C 13 71.622 . . . . . . A 19 THR CB . 19635 1 112 . 1 1 19 19 THR CG2 C 13 22.025 . . . . . . A 19 THR CG2 . 19635 1 113 . 1 1 19 19 THR N N 15 111.524 . . . . . . A 19 THR N . 19635 1 114 . 1 1 20 20 VAL H H 1 8.740 . . . . . . A 20 VAL H . 19635 1 115 . 1 1 20 20 VAL HA H 1 4.378 . . . . . . A 20 VAL HA . 19635 1 116 . 1 1 20 20 VAL HB H 1 1.885 . . . . . . A 20 VAL HB . 19635 1 117 . 1 1 20 20 VAL HG11 H 1 0.773 . . . . . . A 20 VAL HG11 . 19635 1 118 . 1 1 20 20 VAL HG12 H 1 0.773 . . . . . . A 20 VAL HG12 . 19635 1 119 . 1 1 20 20 VAL HG13 H 1 0.773 . . . . . . A 20 VAL HG13 . 19635 1 120 . 1 1 20 20 VAL HG21 H 1 0.829 . . . . . . A 20 VAL HG21 . 19635 1 121 . 1 1 20 20 VAL HG22 H 1 0.829 . . . . . . A 20 VAL HG22 . 19635 1 122 . 1 1 20 20 VAL HG23 H 1 0.829 . . . . . . A 20 VAL HG23 . 19635 1 123 . 1 1 20 20 VAL C C 13 173.718 . . . . . . A 20 VAL C . 19635 1 124 . 1 1 20 20 VAL CA C 13 59.714 . . . . . . A 20 VAL CA . 19635 1 125 . 1 1 20 20 VAL CB C 13 35.482 . . . . . . A 20 VAL CB . 19635 1 126 . 1 1 20 20 VAL CG1 C 13 20.478 . . . . . . A 20 VAL CG1 . 19635 1 127 . 1 1 20 20 VAL CG2 C 13 20.478 . . . . . . A 20 VAL CG2 . 19635 1 128 . 1 1 20 20 VAL N N 15 119.259 . . . . . . A 20 VAL N . 19635 1 129 . 1 1 21 21 LEU H H 1 8.229 . . . . . . A 21 LEU H . 19635 1 130 . 1 1 21 21 LEU HA H 1 4.427 . . . . . . A 21 LEU HA . 19635 1 131 . 1 1 21 21 LEU HB2 H 1 1.775 . . . . . . A 21 LEU HB2 . 19635 1 132 . 1 1 21 21 LEU HB3 H 1 1.398 . . . . . . A 21 LEU HB3 . 19635 1 133 . 1 1 21 21 LEU HG H 1 1.231 . . . . . . A 21 LEU HG . 19635 1 134 . 1 1 21 21 LEU HD11 H 1 0.667 . . . . . . A 21 LEU HD11 . 19635 1 135 . 1 1 21 21 LEU HD12 H 1 0.667 . . . . . . A 21 LEU HD12 . 19635 1 136 . 1 1 21 21 LEU HD13 H 1 0.667 . . . . . . A 21 LEU HD13 . 19635 1 137 . 1 1 21 21 LEU HD21 H 1 0.786 . . . . . . A 21 LEU HD21 . 19635 1 138 . 1 1 21 21 LEU HD22 H 1 0.786 . . . . . . A 21 LEU HD22 . 19635 1 139 . 1 1 21 21 LEU HD23 H 1 0.786 . . . . . . A 21 LEU HD23 . 19635 1 140 . 1 1 21 21 LEU C C 13 175.362 . . . . . . A 21 LEU C . 19635 1 141 . 1 1 21 21 LEU CA C 13 54.604 . . . . . . A 21 LEU CA . 19635 1 142 . 1 1 21 21 LEU CB C 13 40.720 . . . . . . A 21 LEU CB . 19635 1 143 . 1 1 21 21 LEU CG C 13 27.485 . . . . . . A 21 LEU CG . 19635 1 144 . 1 1 21 21 LEU CD1 C 13 23.208 . . . . . . A 21 LEU CD1 . 19635 1 145 . 1 1 21 21 LEU CD2 C 13 25.119 . . . . . . A 21 LEU CD2 . 19635 1 146 . 1 1 21 21 LEU N N 15 127.557 . . . . . . A 21 LEU N . 19635 1 147 . 1 1 22 22 VAL H H 1 8.132 . . . . . . A 22 VAL H . 19635 1 148 . 1 1 22 22 VAL HA H 1 3.648 . . . . . . A 22 VAL HA . 19635 1 149 . 1 1 22 22 VAL HB H 1 1.973 . . . . . . A 22 VAL HB . 19635 1 150 . 1 1 22 22 VAL HG11 H 1 0.208 . . . . . . A 22 VAL HG11 . 19635 1 151 . 1 1 22 22 VAL HG12 H 1 0.208 . . . . . . A 22 VAL HG12 . 19635 1 152 . 1 1 22 22 VAL HG13 H 1 0.208 . . . . . . A 22 VAL HG13 . 19635 1 153 . 1 1 22 22 VAL HG21 H 1 0.855 . . . . . . A 22 VAL HG21 . 19635 1 154 . 1 1 22 22 VAL HG22 H 1 0.855 . . . . . . A 22 VAL HG22 . 19635 1 155 . 1 1 22 22 VAL HG23 H 1 0.855 . . . . . . A 22 VAL HG23 . 19635 1 156 . 1 1 22 22 VAL C C 13 175.346 . . . . . . A 22 VAL C . 19635 1 157 . 1 1 22 22 VAL CA C 13 63.146 . . . . . . A 22 VAL CA . 19635 1 158 . 1 1 22 22 VAL CB C 13 32.151 . . . . . . A 22 VAL CB . 19635 1 159 . 1 1 22 22 VAL CG1 C 13 20.842 . . . . . . A 22 VAL CG1 . 19635 1 160 . 1 1 22 22 VAL CG2 C 13 23.117 . . . . . . A 22 VAL CG2 . 19635 1 161 . 1 1 22 22 VAL N N 15 128.501 . . . . . . A 22 VAL N . 19635 1 162 . 1 1 23 23 LYS H H 1 9.694 . . . . . . A 23 LYS H . 19635 1 163 . 1 1 23 23 LYS HA H 1 4.420 . . . . . . A 23 LYS HA . 19635 1 164 . 1 1 23 23 LYS HB2 H 1 1.643 . . . . . . A 23 LYS HB2 . 19635 1 165 . 1 1 23 23 LYS HB3 H 1 1.639 . . . . . . A 23 LYS HB3 . 19635 1 166 . 1 1 23 23 LYS HG2 H 1 1.398 . . . . . . A 23 LYS HG2 . 19635 1 167 . 1 1 23 23 LYS HG3 H 1 1.281 . . . . . . A 23 LYS HG3 . 19635 1 168 . 1 1 23 23 LYS HD2 H 1 1.629 . . . . . . A 23 LYS HD2 . 19635 1 169 . 1 1 23 23 LYS HD3 H 1 1.629 . . . . . . A 23 LYS HD3 . 19635 1 170 . 1 1 23 23 LYS HE2 H 1 2.867 . . . . . . A 23 LYS HE2 . 19635 1 171 . 1 1 23 23 LYS HE3 H 1 2.851 . . . . . . A 23 LYS HE3 . 19635 1 172 . 1 1 23 23 LYS C C 13 176.385 . . . . . . A 23 LYS C . 19635 1 173 . 1 1 23 23 LYS CA C 13 56.975 . . . . . . A 23 LYS CA . 19635 1 174 . 1 1 23 23 LYS CB C 13 34.150 . . . . . . A 23 LYS CB . 19635 1 175 . 1 1 23 23 LYS CG C 13 25.704 . . . . . . A 23 LYS CG . 19635 1 176 . 1 1 23 23 LYS CD C 13 28.850 . . . . . . A 23 LYS CD . 19635 1 177 . 1 1 23 23 LYS CE C 13 41.955 . . . . . . A 23 LYS CE . 19635 1 178 . 1 1 23 23 LYS N N 15 127.302 . . . . . . A 23 LYS N . 19635 1 179 . 1 1 24 24 ARG H H 1 7.735 . . . . . . A 24 ARG H . 19635 1 180 . 1 1 24 24 ARG HA H 1 4.468 . . . . . . A 24 ARG HA . 19635 1 181 . 1 1 24 24 ARG HB2 H 1 1.961 . . . . . . A 24 ARG HB2 . 19635 1 182 . 1 1 24 24 ARG HB3 H 1 1.795 . . . . . . A 24 ARG HB3 . 19635 1 183 . 1 1 24 24 ARG HG2 H 1 1.398 . . . . . . A 24 ARG HG2 . 19635 1 184 . 1 1 24 24 ARG HG3 H 1 1.269 . . . . . . A 24 ARG HG3 . 19635 1 185 . 1 1 24 24 ARG HD2 H 1 3.230 . . . . . . A 24 ARG HD2 . 19635 1 186 . 1 1 24 24 ARG HD3 H 1 3.091 . . . . . . A 24 ARG HD3 . 19635 1 187 . 1 1 24 24 ARG C C 13 172.401 . . . . . . A 24 ARG C . 19635 1 188 . 1 1 24 24 ARG CA C 13 54.596 . . . . . . A 24 ARG CA . 19635 1 189 . 1 1 24 24 ARG CB C 13 32.125 . . . . . . A 24 ARG CB . 19635 1 190 . 1 1 24 24 ARG CG C 13 26.148 . . . . . . A 24 ARG CG . 19635 1 191 . 1 1 24 24 ARG CD C 13 43.047 . . . . . . A 24 ARG CD . 19635 1 192 . 1 1 24 24 ARG N N 15 114.443 . . . . . . A 24 ARG N . 19635 1 193 . 1 1 25 25 PHE H H 1 8.550 . . . . . . A 25 PHE H . 19635 1 194 . 1 1 25 25 PHE HA H 1 5.561 . . . . . . A 25 PHE HA . 19635 1 195 . 1 1 25 25 PHE HB2 H 1 2.636 . . . . . . A 25 PHE HB2 . 19635 1 196 . 1 1 25 25 PHE HB3 H 1 2.626 . . . . . . A 25 PHE HB3 . 19635 1 197 . 1 1 25 25 PHE HD1 H 1 7.117 . . . . . . A 25 PHE HD1 . 19635 1 198 . 1 1 25 25 PHE HD2 H 1 7.117 . . . . . . A 25 PHE HD2 . 19635 1 199 . 1 1 25 25 PHE HE1 H 1 6.986 . . . . . . A 25 PHE HE1 . 19635 1 200 . 1 1 25 25 PHE HE2 H 1 6.986 . . . . . . A 25 PHE HE2 . 19635 1 201 . 1 1 25 25 PHE HZ H 1 6.877 . . . . . . A 25 PHE HZ . 19635 1 202 . 1 1 25 25 PHE C C 13 174.618 . . . . . . A 25 PHE C . 19635 1 203 . 1 1 25 25 PHE CA C 13 56.333 . . . . . . A 25 PHE CA . 19635 1 204 . 1 1 25 25 PHE CB C 13 42.319 . . . . . . A 25 PHE CB . 19635 1 205 . 1 1 25 25 PHE CD1 C 13 132.784 . . . . . . A 25 PHE CD1 . 19635 1 206 . 1 1 25 25 PHE CD2 C 13 132.784 . . . . . . A 25 PHE CD2 . 19635 1 207 . 1 1 25 25 PHE CE1 C 13 129.775 . . . . . . A 25 PHE CE1 . 19635 1 208 . 1 1 25 25 PHE CE2 C 13 129.775 . . . . . . A 25 PHE CE2 . 19635 1 209 . 1 1 25 25 PHE CZ C 13 128.473 . . . . . . A 25 PHE CZ . 19635 1 210 . 1 1 25 25 PHE N N 15 117.669 . . . . . . A 25 PHE N . 19635 1 211 . 1 1 26 26 GLN H H 1 8.926 . . . . . . A 26 GLN H . 19635 1 212 . 1 1 26 26 GLN HA H 1 4.576 . . . . . . A 26 GLN HA . 19635 1 213 . 1 1 26 26 GLN HB2 H 1 1.836 . . . . . . A 26 GLN HB2 . 19635 1 214 . 1 1 26 26 GLN HB3 H 1 1.700 . . . . . . A 26 GLN HB3 . 19635 1 215 . 1 1 26 26 GLN HG2 H 1 2.238 . . . . . . A 26 GLN HG2 . 19635 1 216 . 1 1 26 26 GLN HG3 H 1 2.181 . . . . . . A 26 GLN HG3 . 19635 1 217 . 1 1 26 26 GLN HE21 H 1 6.836 . . . . . . A 26 GLN HE21 . 19635 1 218 . 1 1 26 26 GLN HE22 H 1 7.498 . . . . . . A 26 GLN HE22 . 19635 1 219 . 1 1 26 26 GLN C C 13 173.904 . . . . . . A 26 GLN C . 19635 1 220 . 1 1 26 26 GLN CA C 13 54.695 . . . . . . A 26 GLN CA . 19635 1 221 . 1 1 26 26 GLN CB C 13 32.077 . . . . . . A 26 GLN CB . 19635 1 222 . 1 1 26 26 GLN CG C 13 34.310 . . . . . . A 26 GLN CG . 19635 1 223 . 1 1 26 26 GLN N N 15 121.215 . . . . . . A 26 GLN N . 19635 1 224 . 1 1 26 26 GLN NE2 N 15 111.851 . . . . . . A 26 GLN NE2 . 19635 1 225 . 1 1 27 27 LEU H H 1 8.906 . . . . . . A 27 LEU H . 19635 1 226 . 1 1 27 27 LEU HA H 1 5.285 . . . . . . A 27 LEU HA . 19635 1 227 . 1 1 27 27 LEU HB2 H 1 1.739 . . . . . . A 27 LEU HB2 . 19635 1 228 . 1 1 27 27 LEU HB3 H 1 1.423 . . . . . . A 27 LEU HB3 . 19635 1 229 . 1 1 27 27 LEU HG H 1 1.548 . . . . . . A 27 LEU HG . 19635 1 230 . 1 1 27 27 LEU HD11 H 1 0.667 . . . . . . A 27 LEU HD11 . 19635 1 231 . 1 1 27 27 LEU HD12 H 1 0.667 . . . . . . A 27 LEU HD12 . 19635 1 232 . 1 1 27 27 LEU HD13 H 1 0.667 . . . . . . A 27 LEU HD13 . 19635 1 233 . 1 1 27 27 LEU HD21 H 1 0.667 . . . . . . A 27 LEU HD21 . 19635 1 234 . 1 1 27 27 LEU HD22 H 1 0.667 . . . . . . A 27 LEU HD22 . 19635 1 235 . 1 1 27 27 LEU HD23 H 1 0.667 . . . . . . A 27 LEU HD23 . 19635 1 236 . 1 1 27 27 LEU C C 13 177.098 . . . . . . A 27 LEU C . 19635 1 237 . 1 1 27 27 LEU CA C 13 53.512 . . . . . . A 27 LEU CA . 19635 1 238 . 1 1 27 27 LEU CB C 13 44.048 . . . . . . A 27 LEU CB . 19635 1 239 . 1 1 27 27 LEU CG C 13 27.667 . . . . . . A 27 LEU CG . 19635 1 240 . 1 1 27 27 LEU CD1 C 13 24.209 . . . . . . A 27 LEU CD1 . 19635 1 241 . 1 1 27 27 LEU CD2 C 13 24.209 . . . . . . A 27 LEU CD2 . 19635 1 242 . 1 1 27 27 LEU N N 15 126.971 . . . . . . A 27 LEU N . 19635 1 243 . 1 1 28 28 SER H H 1 8.114 . . . . . . A 28 SER H . 19635 1 244 . 1 1 28 28 SER HA H 1 4.866 . . . . . . A 28 SER HA . 19635 1 245 . 1 1 28 28 SER HB2 H 1 3.764 . . . . . . A 28 SER HB2 . 19635 1 246 . 1 1 28 28 SER HB3 H 1 3.764 . . . . . . A 28 SER HB3 . 19635 1 247 . 1 1 28 28 SER C C 13 173.811 . . . . . . A 28 SER C . 19635 1 248 . 1 1 28 28 SER CA C 13 57.249 . . . . . . A 28 SER CA . 19635 1 249 . 1 1 28 28 SER CB C 13 65.161 . . . . . . A 28 SER CB . 19635 1 250 . 1 1 28 28 SER N N 15 114.562 . . . . . . A 28 SER N . 19635 1 251 . 1 1 29 29 GLY H H 1 8.714 . . . . . . A 29 GLY H . 19635 1 252 . 1 1 29 29 GLY HA2 H 1 3.622 . . . . . . A 29 GLY HA2 . 19635 1 253 . 1 1 29 29 GLY HA3 H 1 5.189 . . . . . . A 29 GLY HA3 . 19635 1 254 . 1 1 29 29 GLY C C 13 173.548 . . . . . . A 29 GLY C . 19635 1 255 . 1 1 29 29 GLY CA C 13 45.235 . . . . . . A 29 GLY CA . 19635 1 256 . 1 1 29 29 GLY N N 15 112.273 . . . . . . A 29 GLY N . 19635 1 257 . 1 1 30 30 ASN H H 1 9.436 . . . . . . A 30 ASN H . 19635 1 258 . 1 1 30 30 ASN HA H 1 4.536 . . . . . . A 30 ASN HA . 19635 1 259 . 1 1 30 30 ASN HB2 H 1 2.943 . . . . . . A 30 ASN HB2 . 19635 1 260 . 1 1 30 30 ASN HB3 H 1 2.161 . . . . . . A 30 ASN HB3 . 19635 1 261 . 1 1 30 30 ASN HD21 H 1 7.684 . . . . . . A 30 ASN HD21 . 19635 1 262 . 1 1 30 30 ASN HD22 H 1 7.684 . . . . . . A 30 ASN HD22 . 19635 1 263 . 1 1 30 30 ASN C C 13 174.804 . . . . . . A 30 ASN C . 19635 1 264 . 1 1 30 30 ASN CA C 13 53.876 . . . . . . A 30 ASN CA . 19635 1 265 . 1 1 30 30 ASN CB C 13 37.495 . . . . . . A 30 ASN CB . 19635 1 266 . 1 1 30 30 ASN N N 15 114.106 . . . . . . A 30 ASN N . 19635 1 267 . 1 1 30 30 ASN ND2 N 15 113.960 . . . . . . A 30 ASN ND2 . 19635 1 268 . 1 1 31 31 ARG H H 1 9.427 . . . . . . A 31 ARG H . 19635 1 269 . 1 1 31 31 ARG HA H 1 4.408 . . . . . . A 31 ARG HA . 19635 1 270 . 1 1 31 31 ARG HB2 H 1 1.894 . . . . . . A 31 ARG HB2 . 19635 1 271 . 1 1 31 31 ARG HB3 H 1 1.877 . . . . . . A 31 ARG HB3 . 19635 1 272 . 1 1 31 31 ARG HG2 H 1 1.639 . . . . . . A 31 ARG HG2 . 19635 1 273 . 1 1 31 31 ARG HG3 H 1 1.632 . . . . . . A 31 ARG HG3 . 19635 1 274 . 1 1 31 31 ARG HD2 H 1 3.185 . . . . . . A 31 ARG HD2 . 19635 1 275 . 1 1 31 31 ARG HD3 H 1 3.185 . . . . . . A 31 ARG HD3 . 19635 1 276 . 1 1 31 31 ARG C C 13 177.656 . . . . . . A 31 ARG C . 19635 1 277 . 1 1 31 31 ARG CA C 13 57.066 . . . . . . A 31 ARG CA . 19635 1 278 . 1 1 31 31 ARG CB C 13 32.689 . . . . . . A 31 ARG CB . 19635 1 279 . 1 1 31 31 ARG CG C 13 28.759 . . . . . . A 31 ARG CG . 19635 1 280 . 1 1 31 31 ARG CD C 13 43.138 . . . . . . A 31 ARG CD . 19635 1 281 . 1 1 31 31 ARG N N 15 124.382 . . . . . . A 31 ARG N . 19635 1 282 . 1 1 32 32 GLN H H 1 10.333 . . . . . . A 32 GLN H . 19635 1 283 . 1 1 32 32 GLN HA H 1 3.804 . . . . . . A 32 GLN HA . 19635 1 284 . 1 1 32 32 GLN HB2 H 1 1.614 . . . . . . A 32 GLN HB2 . 19635 1 285 . 1 1 32 32 GLN HB3 H 1 1.403 . . . . . . A 32 GLN HB3 . 19635 1 286 . 1 1 32 32 GLN HG2 H 1 1.973 . . . . . . A 32 GLN HG2 . 19635 1 287 . 1 1 32 32 GLN HG3 H 1 1.953 . . . . . . A 32 GLN HG3 . 19635 1 288 . 1 1 32 32 GLN C C 13 175.005 . . . . . . A 32 GLN C . 19635 1 289 . 1 1 32 32 GLN CA C 13 57.243 . . . . . . A 32 GLN CA . 19635 1 290 . 1 1 32 32 GLN CB C 13 28.850 . . . . . . A 32 GLN CB . 19635 1 291 . 1 1 32 32 GLN CG C 13 32.897 . . . . . . A 32 GLN CG . 19635 1 292 . 1 1 32 32 GLN N N 15 122.307 . . . . . . A 32 GLN N . 19635 1 293 . 1 1 33 33 PHE H H 1 6.698 . . . . . . A 33 PHE H . 19635 1 294 . 1 1 33 33 PHE HA H 1 4.815 . . . . . . A 33 PHE HA . 19635 1 295 . 1 1 33 33 PHE HB2 H 1 2.923 . . . . . . A 33 PHE HB2 . 19635 1 296 . 1 1 33 33 PHE HB3 H 1 2.510 . . . . . . A 33 PHE HB3 . 19635 1 297 . 1 1 33 33 PHE HD1 H 1 6.962 . . . . . . A 33 PHE HD1 . 19635 1 298 . 1 1 33 33 PHE HD2 H 1 6.962 . . . . . . A 33 PHE HD2 . 19635 1 299 . 1 1 33 33 PHE HE1 H 1 6.847 . . . . . . A 33 PHE HE1 . 19635 1 300 . 1 1 33 33 PHE HE2 H 1 6.847 . . . . . . A 33 PHE HE2 . 19635 1 301 . 1 1 33 33 PHE HZ H 1 7.054 . . . . . . A 33 PHE HZ . 19635 1 302 . 1 1 33 33 PHE C C 13 174.215 . . . . . . A 33 PHE C . 19635 1 303 . 1 1 33 33 PHE CA C 13 55.514 . . . . . . A 33 PHE CA . 19635 1 304 . 1 1 33 33 PHE CB C 13 43.006 . . . . . . A 33 PHE CB . 19635 1 305 . 1 1 33 33 PHE CD1 C 13 132.275 . . . . . . A 33 PHE CD1 . 19635 1 306 . 1 1 33 33 PHE CD2 C 13 132.275 . . . . . . A 33 PHE CD2 . 19635 1 307 . 1 1 33 33 PHE CE1 C 13 131.002 . . . . . . A 33 PHE CE1 . 19635 1 308 . 1 1 33 33 PHE CE2 C 13 131.002 . . . . . . A 33 PHE CE2 . 19635 1 309 . 1 1 33 33 PHE CZ C 13 129.658 . . . . . . A 33 PHE CZ . 19635 1 310 . 1 1 33 33 PHE N N 15 110.633 . . . . . . A 33 PHE N . 19635 1 311 . 1 1 34 34 ASP H H 1 8.477 . . . . . . A 34 ASP H . 19635 1 312 . 1 1 34 34 ASP HA H 1 4.547 . . . . . . A 34 ASP HA . 19635 1 313 . 1 1 34 34 ASP HB2 H 1 3.064 . . . . . . A 34 ASP HB2 . 19635 1 314 . 1 1 34 34 ASP HB3 H 1 2.750 . . . . . . A 34 ASP HB3 . 19635 1 315 . 1 1 34 34 ASP C C 13 175.253 . . . . . . A 34 ASP C . 19635 1 316 . 1 1 34 34 ASP CA C 13 52.684 . . . . . . A 34 ASP CA . 19635 1 317 . 1 1 34 34 ASP CB C 13 42.276 . . . . . . A 34 ASP CB . 19635 1 318 . 1 1 34 34 ASP N N 15 120.588 . . . . . . A 34 ASP N . 19635 1 319 . 1 1 35 35 ASP H H 1 8.507 . . . . . . A 35 ASP H . 19635 1 320 . 1 1 35 35 ASP HA H 1 4.022 . . . . . . A 35 ASP HA . 19635 1 321 . 1 1 35 35 ASP HB2 H 1 2.736 . . . . . . A 35 ASP HB2 . 19635 1 322 . 1 1 35 35 ASP HB3 H 1 2.647 . . . . . . A 35 ASP HB3 . 19635 1 323 . 1 1 35 35 ASP C C 13 177.826 . . . . . . A 35 ASP C . 19635 1 324 . 1 1 35 35 ASP CA C 13 57.607 . . . . . . A 35 ASP CA . 19635 1 325 . 1 1 35 35 ASP CB C 13 39.771 . . . . . . A 35 ASP CB . 19635 1 326 . 1 1 35 35 ASP N N 15 118.353 . . . . . . A 35 ASP N . 19635 1 327 . 1 1 36 36 ARG H H 1 8.111 . . . . . . A 36 ARG H . 19635 1 328 . 1 1 36 36 ARG HA H 1 3.873 . . . . . . A 36 ARG HA . 19635 1 329 . 1 1 36 36 ARG HB2 H 1 1.953 . . . . . . A 36 ARG HB2 . 19635 1 330 . 1 1 36 36 ARG HB3 H 1 1.864 . . . . . . A 36 ARG HB3 . 19635 1 331 . 1 1 36 36 ARG HG2 H 1 1.761 . . . . . . A 36 ARG HG2 . 19635 1 332 . 1 1 36 36 ARG HG3 H 1 1.636 . . . . . . A 36 ARG HG3 . 19635 1 333 . 1 1 36 36 ARG HD2 H 1 3.253 . . . . . . A 36 ARG HD2 . 19635 1 334 . 1 1 36 36 ARG HD3 H 1 3.249 . . . . . . A 36 ARG HD3 . 19635 1 335 . 1 1 36 36 ARG C C 13 179.206 . . . . . . A 36 ARG C . 19635 1 336 . 1 1 36 36 ARG CA C 13 59.610 . . . . . . A 36 ARG CA . 19635 1 337 . 1 1 36 36 ARG CB C 13 29.422 . . . . . . A 36 ARG CB . 19635 1 338 . 1 1 36 36 ARG CG C 13 27.121 . . . . . . A 36 ARG CG . 19635 1 339 . 1 1 36 36 ARG CD C 13 43.246 . . . . . . A 36 ARG CD . 19635 1 340 . 1 1 36 36 ARG N N 15 117.028 . . . . . . A 36 ARG N . 19635 1 341 . 1 1 37 37 ARG H H 1 7.826 . . . . . . A 37 ARG H . 19635 1 342 . 1 1 37 37 ARG HA H 1 4.020 . . . . . . A 37 ARG HA . 19635 1 343 . 1 1 37 37 ARG HB2 H 1 2.036 . . . . . . A 37 ARG HB2 . 19635 1 344 . 1 1 37 37 ARG HB3 H 1 1.916 . . . . . . A 37 ARG HB3 . 19635 1 345 . 1 1 37 37 ARG HG2 H 1 1.755 . . . . . . A 37 ARG HG2 . 19635 1 346 . 1 1 37 37 ARG HG3 H 1 1.361 . . . . . . A 37 ARG HG3 . 19635 1 347 . 1 1 37 37 ARG HD2 H 1 3.324 . . . . . . A 37 ARG HD2 . 19635 1 348 . 1 1 37 37 ARG HD3 H 1 3.264 . . . . . . A 37 ARG HD3 . 19635 1 349 . 1 1 37 37 ARG C C 13 177.950 . . . . . . A 37 ARG C . 19635 1 350 . 1 1 37 37 ARG CA C 13 57.698 . . . . . . A 37 ARG CA . 19635 1 351 . 1 1 37 37 ARG CB C 13 30.124 . . . . . . A 37 ARG CB . 19635 1 352 . 1 1 37 37 ARG CG C 13 26.939 . . . . . . A 37 ARG CG . 19635 1 353 . 1 1 37 37 ARG CD C 13 43.138 . . . . . . A 37 ARG CD . 19635 1 354 . 1 1 37 37 ARG N N 15 119.265 . . . . . . A 37 ARG N . 19635 1 355 . 1 1 38 38 LEU H H 1 7.365 . . . . . . A 38 LEU H . 19635 1 356 . 1 1 38 38 LEU HA H 1 3.819 . . . . . . A 38 LEU HA . 19635 1 357 . 1 1 38 38 LEU HB2 H 1 1.749 . . . . . . A 38 LEU HB2 . 19635 1 358 . 1 1 38 38 LEU HB3 H 1 1.048 . . . . . . A 38 LEU HB3 . 19635 1 359 . 1 1 38 38 LEU HG H 1 1.736 . . . . . . A 38 LEU HG . 19635 1 360 . 1 1 38 38 LEU HD11 H 1 0.395 . . . . . . A 38 LEU HD11 . 19635 1 361 . 1 1 38 38 LEU HD12 H 1 0.395 . . . . . . A 38 LEU HD12 . 19635 1 362 . 1 1 38 38 LEU HD13 H 1 0.395 . . . . . . A 38 LEU HD13 . 19635 1 363 . 1 1 38 38 LEU HD21 H 1 1.051 . . . . . . A 38 LEU HD21 . 19635 1 364 . 1 1 38 38 LEU HD22 H 1 1.051 . . . . . . A 38 LEU HD22 . 19635 1 365 . 1 1 38 38 LEU HD23 H 1 1.051 . . . . . . A 38 LEU HD23 . 19635 1 366 . 1 1 38 38 LEU C C 13 179.067 . . . . . . A 38 LEU C . 19635 1 367 . 1 1 38 38 LEU CA C 13 56.333 . . . . . . A 38 LEU CA . 19635 1 368 . 1 1 38 38 LEU CB C 13 42.046 . . . . . . A 38 LEU CB . 19635 1 369 . 1 1 38 38 LEU CG C 13 26.666 . . . . . . A 38 LEU CG . 19635 1 370 . 1 1 38 38 LEU CD1 C 13 22.571 . . . . . . A 38 LEU CD1 . 19635 1 371 . 1 1 38 38 LEU CD2 C 13 26.679 . . . . . . A 38 LEU CD2 . 19635 1 372 . 1 1 38 38 LEU N N 15 115.462 . . . . . . A 38 LEU N . 19635 1 373 . 1 1 39 39 LEU H H 1 9.081 . . . . . . A 39 LEU H . 19635 1 374 . 1 1 39 39 LEU HA H 1 3.823 . . . . . . A 39 LEU HA . 19635 1 375 . 1 1 39 39 LEU HB2 H 1 1.864 . . . . . . A 39 LEU HB2 . 19635 1 376 . 1 1 39 39 LEU HB3 H 1 1.409 . . . . . . A 39 LEU HB3 . 19635 1 377 . 1 1 39 39 LEU HG H 1 1.840 . . . . . . A 39 LEU HG . 19635 1 378 . 1 1 39 39 LEU HD11 H 1 1.835 . . . . . . A 39 LEU HD11 . 19635 1 379 . 1 1 39 39 LEU HD12 H 1 1.835 . . . . . . A 39 LEU HD12 . 19635 1 380 . 1 1 39 39 LEU HD13 H 1 1.835 . . . . . . A 39 LEU HD13 . 19635 1 381 . 1 1 39 39 LEU HD21 H 1 0.954 . . . . . . A 39 LEU HD21 . 19635 1 382 . 1 1 39 39 LEU HD22 H 1 0.954 . . . . . . A 39 LEU HD22 . 19635 1 383 . 1 1 39 39 LEU HD23 H 1 0.954 . . . . . . A 39 LEU HD23 . 19635 1 384 . 1 1 39 39 LEU C C 13 181.051 . . . . . . A 39 LEU C . 19635 1 385 . 1 1 39 39 LEU CA C 13 57.607 . . . . . . A 39 LEU CA . 19635 1 386 . 1 1 39 39 LEU CB C 13 41.089 . . . . . . A 39 LEU CB . 19635 1 387 . 1 1 39 39 LEU CG C 13 27.212 . . . . . . A 39 LEU CG . 19635 1 388 . 1 1 39 39 LEU CD1 C 13 27.121 . . . . . . A 39 LEU CD1 . 19635 1 389 . 1 1 39 39 LEU CD2 C 13 25.574 . . . . . . A 39 LEU CD2 . 19635 1 390 . 1 1 39 39 LEU N N 15 117.922 . . . . . . A 39 LEU N . 19635 1 391 . 1 1 40 40 ALA H H 1 7.266 . . . . . . A 40 ALA H . 19635 1 392 . 1 1 40 40 ALA HA H 1 4.077 . . . . . . A 40 ALA HA . 19635 1 393 . 1 1 40 40 ALA HB1 H 1 1.417 . . . . . . A 40 ALA HB1 . 19635 1 394 . 1 1 40 40 ALA HB2 H 1 1.417 . . . . . . A 40 ALA HB2 . 19635 1 395 . 1 1 40 40 ALA HB3 H 1 1.417 . . . . . . A 40 ALA HB3 . 19635 1 396 . 1 1 40 40 ALA C C 13 180.059 . . . . . . A 40 ALA C . 19635 1 397 . 1 1 40 40 ALA CA C 13 54.514 . . . . . . A 40 ALA CA . 19635 1 398 . 1 1 40 40 ALA CB C 13 17.716 . . . . . . A 40 ALA CB . 19635 1 399 . 1 1 40 40 ALA N N 15 121.136 . . . . . . A 40 ALA N . 19635 1 400 . 1 1 41 41 LEU H H 1 7.215 . . . . . . A 41 LEU H . 19635 1 401 . 1 1 41 41 LEU HA H 1 4.128 . . . . . . A 41 LEU HA . 19635 1 402 . 1 1 41 41 LEU HB2 H 1 1.869 . . . . . . A 41 LEU HB2 . 19635 1 403 . 1 1 41 41 LEU HB3 H 1 1.251 . . . . . . A 41 LEU HB3 . 19635 1 404 . 1 1 41 41 LEU HG H 1 1.525 . . . . . . A 41 LEU HG . 19635 1 405 . 1 1 41 41 LEU HD11 H 1 0.667 . . . . . . A 41 LEU HD11 . 19635 1 406 . 1 1 41 41 LEU HD12 H 1 0.667 . . . . . . A 41 LEU HD12 . 19635 1 407 . 1 1 41 41 LEU HD13 H 1 0.667 . . . . . . A 41 LEU HD13 . 19635 1 408 . 1 1 41 41 LEU HD21 H 1 0.422 . . . . . . A 41 LEU HD21 . 19635 1 409 . 1 1 41 41 LEU HD22 H 1 0.422 . . . . . . A 41 LEU HD22 . 19635 1 410 . 1 1 41 41 LEU HD23 H 1 0.422 . . . . . . A 41 LEU HD23 . 19635 1 411 . 1 1 41 41 LEU C C 13 177.966 . . . . . . A 41 LEU C . 19635 1 412 . 1 1 41 41 LEU CA C 13 55.971 . . . . . . A 41 LEU CA . 19635 1 413 . 1 1 41 41 LEU CB C 13 42.093 . . . . . . A 41 LEU CB . 19635 1 414 . 1 1 41 41 LEU CG C 13 25.938 . . . . . . A 41 LEU CG . 19635 1 415 . 1 1 41 41 LEU CD1 C 13 22.025 . . . . . . A 41 LEU CD1 . 19635 1 416 . 1 1 41 41 LEU CD2 C 13 25.938 . . . . . . A 41 LEU CD2 . 19635 1 417 . 1 1 41 41 LEU N N 15 115.253 . . . . . . A 41 LEU N . 19635 1 418 . 1 1 42 42 LEU H H 1 7.392 . . . . . . A 42 LEU H . 19635 1 419 . 1 1 42 42 LEU HA H 1 4.298 . . . . . . A 42 LEU HA . 19635 1 420 . 1 1 42 42 LEU HB2 H 1 1.477 . . . . . . A 42 LEU HB2 . 19635 1 421 . 1 1 42 42 LEU HB3 H 1 1.478 . . . . . . A 42 LEU HB3 . 19635 1 422 . 1 1 42 42 LEU HG H 1 1.350 . . . . . . A 42 LEU HG . 19635 1 423 . 1 1 42 42 LEU HD11 H 1 0.370 . . . . . . A 42 LEU HD11 . 19635 1 424 . 1 1 42 42 LEU HD12 H 1 0.370 . . . . . . A 42 LEU HD12 . 19635 1 425 . 1 1 42 42 LEU HD13 H 1 0.370 . . . . . . A 42 LEU HD13 . 19635 1 426 . 1 1 42 42 LEU HD21 H 1 -0.006 . . . . . . A 42 LEU HD21 . 19635 1 427 . 1 1 42 42 LEU HD22 H 1 -0.006 . . . . . . A 42 LEU HD22 . 19635 1 428 . 1 1 42 42 LEU HD23 H 1 -0.006 . . . . . . A 42 LEU HD23 . 19635 1 429 . 1 1 42 42 LEU C C 13 177.842 . . . . . . A 42 LEU C . 19635 1 430 . 1 1 42 42 LEU CA C 13 53.232 . . . . . . A 42 LEU CA . 19635 1 431 . 1 1 42 42 LEU CB C 13 41.955 . . . . . . A 42 LEU CB . 19635 1 432 . 1 1 42 42 LEU CG C 13 26.302 . . . . . . A 42 LEU CG . 19635 1 433 . 1 1 42 42 LEU CD1 C 13 22.844 . . . . . . A 42 LEU CD1 . 19635 1 434 . 1 1 42 42 LEU CD2 C 13 24.664 . . . . . . A 42 LEU CD2 . 19635 1 435 . 1 1 42 42 LEU N N 15 116.365 . . . . . . A 42 LEU N . 19635 1 436 . 1 1 43 43 HIS H H 1 7.012 . . . . . . A 43 HIS H . 19635 1 437 . 1 1 43 43 HIS HA H 1 4.279 . . . . . . A 43 HIS HA . 19635 1 438 . 1 1 43 43 HIS HB2 H 1 3.309 . . . . . . A 43 HIS HB2 . 19635 1 439 . 1 1 43 43 HIS HB3 H 1 3.232 . . . . . . A 43 HIS HB3 . 19635 1 440 . 1 1 43 43 HIS HD2 H 1 7.128 . . . . . . A 43 HIS HD2 . 19635 1 441 . 1 1 43 43 HIS C C 13 174.494 . . . . . . A 43 HIS C . 19635 1 442 . 1 1 43 43 HIS CA C 13 59.428 . . . . . . A 43 HIS CA . 19635 1 443 . 1 1 43 43 HIS CB C 13 31.216 . . . . . . A 43 HIS CB . 19635 1 444 . 1 1 43 43 HIS CD2 C 13 120.375 . . . . . . A 43 HIS CD2 . 19635 1 445 . 1 1 43 43 HIS N N 15 117.222 . . . . . . A 43 HIS N . 19635 1 446 . 1 1 44 44 ASP H H 1 9.235 . . . . . . A 44 ASP H . 19635 1 447 . 1 1 44 44 ASP HA H 1 4.338 . . . . . . A 44 ASP HA . 19635 1 448 . 1 1 44 44 ASP HB2 H 1 2.607 . . . . . . A 44 ASP HB2 . 19635 1 449 . 1 1 44 44 ASP HB3 H 1 2.299 . . . . . . A 44 ASP HB3 . 19635 1 450 . 1 1 44 44 ASP C C 13 176.385 . . . . . . A 44 ASP C . 19635 1 451 . 1 1 44 44 ASP CA C 13 53.785 . . . . . . A 44 ASP CA . 19635 1 452 . 1 1 44 44 ASP CB C 13 38.989 . . . . . . A 44 ASP CB . 19635 1 453 . 1 1 44 44 ASP N N 15 116.296 . . . . . . A 44 ASP N . 19635 1 454 . 1 1 45 45 LEU H H 1 7.866 . . . . . . A 45 LEU H . 19635 1 455 . 1 1 45 45 LEU HA H 1 4.212 . . . . . . A 45 LEU HA . 19635 1 456 . 1 1 45 45 LEU HB2 H 1 1.396 . . . . . . A 45 LEU HB2 . 19635 1 457 . 1 1 45 45 LEU HB3 H 1 2.120 . . . . . . A 45 LEU HB3 . 19635 1 458 . 1 1 45 45 LEU HG H 1 1.866 . . . . . . A 45 LEU HG . 19635 1 459 . 1 1 45 45 LEU HD11 H 1 0.900 . . . . . . A 45 LEU HD11 . 19635 1 460 . 1 1 45 45 LEU HD12 H 1 0.900 . . . . . . A 45 LEU HD12 . 19635 1 461 . 1 1 45 45 LEU HD13 H 1 0.900 . . . . . . A 45 LEU HD13 . 19635 1 462 . 1 1 45 45 LEU HD21 H 1 0.757 . . . . . . A 45 LEU HD21 . 19635 1 463 . 1 1 45 45 LEU HD22 H 1 0.757 . . . . . . A 45 LEU HD22 . 19635 1 464 . 1 1 45 45 LEU HD23 H 1 0.757 . . . . . . A 45 LEU HD23 . 19635 1 465 . 1 1 45 45 LEU C C 13 173.563 . . . . . . A 45 LEU C . 19635 1 466 . 1 1 45 45 LEU CA C 13 57.881 . . . . . . A 45 LEU CA . 19635 1 467 . 1 1 45 45 LEU CB C 13 41.955 . . . . . . A 45 LEU CB . 19635 1 468 . 1 1 45 45 LEU CG C 13 26.245 . . . . . . A 45 LEU CG . 19635 1 469 . 1 1 45 45 LEU CD1 C 13 24.178 . . . . . . A 45 LEU CD1 . 19635 1 470 . 1 1 45 45 LEU CD2 C 13 25.300 . . . . . . A 45 LEU CD2 . 19635 1 471 . 1 1 45 45 LEU N N 15 119.937 . . . . . . A 45 LEU N . 19635 1 472 . 1 1 46 46 PRO HA H 1 3.992 . . . . . . A 46 PRO HA . 19635 1 473 . 1 1 46 46 PRO HB2 H 1 2.310 . . . . . . A 46 PRO HB2 . 19635 1 474 . 1 1 46 46 PRO HB3 H 1 2.102 . . . . . . A 46 PRO HB3 . 19635 1 475 . 1 1 46 46 PRO HG2 H 1 2.102 . . . . . . A 46 PRO HG2 . 19635 1 476 . 1 1 46 46 PRO HG3 H 1 1.785 . . . . . . A 46 PRO HG3 . 19635 1 477 . 1 1 46 46 PRO HD2 H 1 4.289 . . . . . . A 46 PRO HD2 . 19635 1 478 . 1 1 46 46 PRO HD3 H 1 3.586 . . . . . . A 46 PRO HD3 . 19635 1 479 . 1 1 46 46 PRO C C 13 177.160 . . . . . . A 46 PRO C . 19635 1 480 . 1 1 46 46 PRO CA C 13 65.036 . . . . . . A 46 PRO CA . 19635 1 481 . 1 1 46 46 PRO CB C 13 29.032 . . . . . . A 46 PRO CB . 19635 1 482 . 1 1 46 46 PRO CG C 13 30.761 . . . . . . A 46 PRO CG . 19635 1 483 . 1 1 46 46 PRO CD C 13 50.480 . . . . . . A 46 PRO CD . 19635 1 484 . 1 1 47 47 GLY H H 1 9.411 . . . . . . A 47 GLY H . 19635 1 485 . 1 1 47 47 GLY HA2 H 1 4.378 . . . . . . A 47 GLY HA2 . 19635 1 486 . 1 1 47 47 GLY HA3 H 1 3.538 . . . . . . A 47 GLY HA3 . 19635 1 487 . 1 1 47 47 GLY C C 13 173.827 . . . . . . A 47 GLY C . 19635 1 488 . 1 1 47 47 GLY CA C 13 44.685 . . . . . . A 47 GLY CA . 19635 1 489 . 1 1 47 47 GLY N N 15 111.431 . . . . . . A 47 GLY N . 19635 1 490 . 1 1 48 48 GLN H H 1 7.871 . . . . . . A 48 GLN H . 19635 1 491 . 1 1 48 48 GLN HA H 1 4.507 . . . . . . A 48 GLN HA . 19635 1 492 . 1 1 48 48 GLN HB2 H 1 2.148 . . . . . . A 48 GLN HB2 . 19635 1 493 . 1 1 48 48 GLN HB3 H 1 2.020 . . . . . . A 48 GLN HB3 . 19635 1 494 . 1 1 48 48 GLN HG2 H 1 2.396 . . . . . . A 48 GLN HG2 . 19635 1 495 . 1 1 48 48 GLN HG3 H 1 2.240 . . . . . . A 48 GLN HG3 . 19635 1 496 . 1 1 48 48 GLN C C 13 174.525 . . . . . . A 48 GLN C . 19635 1 497 . 1 1 48 48 GLN CA C 13 54.695 . . . . . . A 48 GLN CA . 19635 1 498 . 1 1 48 48 GLN CB C 13 31.034 . . . . . . A 48 GLN CB . 19635 1 499 . 1 1 48 48 GLN CG C 13 34.401 . . . . . . A 48 GLN CG . 19635 1 500 . 1 1 48 48 GLN N N 15 117.897 . . . . . . A 48 GLN N . 19635 1 501 . 1 1 49 49 GLU H H 1 8.369 . . . . . . A 49 GLU H . 19635 1 502 . 1 1 49 49 GLU HA H 1 4.815 . . . . . . A 49 GLU HA . 19635 1 503 . 1 1 49 49 GLU HB2 H 1 1.914 . . . . . . A 49 GLU HB2 . 19635 1 504 . 1 1 49 49 GLU HB3 H 1 1.914 . . . . . . A 49 GLU HB3 . 19635 1 505 . 1 1 49 49 GLU HG2 H 1 2.211 . . . . . . A 49 GLU HG2 . 19635 1 506 . 1 1 49 49 GLU HG3 H 1 2.211 . . . . . . A 49 GLU HG3 . 19635 1 507 . 1 1 49 49 GLU C C 13 175.672 . . . . . . A 49 GLU C . 19635 1 508 . 1 1 49 49 GLU CA C 13 55.423 . . . . . . A 49 GLU CA . 19635 1 509 . 1 1 49 49 GLU CB C 13 30.224 . . . . . . A 49 GLU CB . 19635 1 510 . 1 1 49 49 GLU CG C 13 37.062 . . . . . . A 49 GLU CG . 19635 1 511 . 1 1 49 49 GLU CD C 13 27.252 . . . . . . A 49 GLU CD . 19635 1 512 . 1 1 49 49 GLU N N 15 120.443 . . . . . . A 49 GLU N . 19635 1 513 . 1 1 50 50 LEU H H 1 8.663 . . . . . . A 50 LEU H . 19635 1 514 . 1 1 50 50 LEU HA H 1 5.010 . . . . . . A 50 LEU HA . 19635 1 515 . 1 1 50 50 LEU HB2 H 1 1.536 . . . . . . A 50 LEU HB2 . 19635 1 516 . 1 1 50 50 LEU HB3 H 1 1.536 . . . . . . A 50 LEU HB3 . 19635 1 517 . 1 1 50 50 LEU HG H 1 1.632 . . . . . . A 50 LEU HG . 19635 1 518 . 1 1 50 50 LEU HD11 H 1 0.815 . . . . . . A 50 LEU HD11 . 19635 1 519 . 1 1 50 50 LEU HD12 H 1 0.815 . . . . . . A 50 LEU HD12 . 19635 1 520 . 1 1 50 50 LEU HD13 H 1 0.815 . . . . . . A 50 LEU HD13 . 19635 1 521 . 1 1 50 50 LEU HD21 H 1 0.898 . . . . . . A 50 LEU HD21 . 19635 1 522 . 1 1 50 50 LEU HD22 H 1 0.898 . . . . . . A 50 LEU HD22 . 19635 1 523 . 1 1 50 50 LEU HD23 H 1 0.898 . . . . . . A 50 LEU HD23 . 19635 1 524 . 1 1 50 50 LEU C C 13 176.338 . . . . . . A 50 LEU C . 19635 1 525 . 1 1 50 50 LEU CA C 13 53.232 . . . . . . A 50 LEU CA . 19635 1 526 . 1 1 50 50 LEU CB C 13 45.413 . . . . . . A 50 LEU CB . 19635 1 527 . 1 1 50 50 LEU CG C 13 26.757 . . . . . . A 50 LEU CG . 19635 1 528 . 1 1 50 50 LEU CD1 C 13 23.936 . . . . . . A 50 LEU CD1 . 19635 1 529 . 1 1 50 50 LEU CD2 C 13 26.484 . . . . . . A 50 LEU CD2 . 19635 1 530 . 1 1 50 50 LEU N N 15 125.608 . . . . . . A 50 LEU N . 19635 1 531 . 1 1 51 51 ASN H H 1 8.897 . . . . . . A 51 ASN H . 19635 1 532 . 1 1 51 51 ASN HA H 1 5.183 . . . . . . A 51 ASN HA . 19635 1 533 . 1 1 51 51 ASN HB2 H 1 3.299 . . . . . . A 51 ASN HB2 . 19635 1 534 . 1 1 51 51 ASN HB3 H 1 2.666 . . . . . . A 51 ASN HB3 . 19635 1 535 . 1 1 51 51 ASN HD21 H 1 6.966 . . . . . . A 51 ASN HD21 . 19635 1 536 . 1 1 51 51 ASN HD22 H 1 7.555 . . . . . . A 51 ASN HD22 . 19635 1 537 . 1 1 51 51 ASN C C 13 176.013 . . . . . . A 51 ASN C . 19635 1 538 . 1 1 51 51 ASN CA C 13 50.600 . . . . . . A 51 ASN CA . 19635 1 539 . 1 1 51 51 ASN CB C 13 39.407 . . . . . . A 51 ASN CB . 19635 1 540 . 1 1 51 51 ASN N N 15 118.769 . . . . . . A 51 ASN N . 19635 1 541 . 1 1 51 51 ASN ND2 N 15 111.851 . . . . . . A 51 ASN ND2 . 19635 1 542 . 1 1 52 52 LEU H H 1 8.585 . . . . . . A 52 LEU H . 19635 1 543 . 1 1 52 52 LEU HA H 1 4.041 . . . . . . A 52 LEU HA . 19635 1 544 . 1 1 52 52 LEU HB2 H 1 1.785 . . . . . . A 52 LEU HB2 . 19635 1 545 . 1 1 52 52 LEU HB3 H 1 1.785 . . . . . . A 52 LEU HB3 . 19635 1 546 . 1 1 52 52 LEU HG H 1 1.765 . . . . . . A 52 LEU HG . 19635 1 547 . 1 1 52 52 LEU HD11 H 1 0.984 . . . . . . A 52 LEU HD11 . 19635 1 548 . 1 1 52 52 LEU HD12 H 1 0.984 . . . . . . A 52 LEU HD12 . 19635 1 549 . 1 1 52 52 LEU HD13 H 1 0.984 . . . . . . A 52 LEU HD13 . 19635 1 550 . 1 1 52 52 LEU HD21 H 1 1.765 . . . . . . A 52 LEU HD21 . 19635 1 551 . 1 1 52 52 LEU HD22 H 1 1.765 . . . . . . A 52 LEU HD22 . 19635 1 552 . 1 1 52 52 LEU HD23 H 1 1.765 . . . . . . A 52 LEU HD23 . 19635 1 553 . 1 1 52 52 LEU C C 13 179.036 . . . . . . A 52 LEU C . 19635 1 554 . 1 1 52 52 LEU CA C 13 58.609 . . . . . . A 52 LEU CA . 19635 1 555 . 1 1 52 52 LEU CB C 13 41.773 . . . . . . A 52 LEU CB . 19635 1 556 . 1 1 52 52 LEU CG C 13 27.121 . . . . . . A 52 LEU CG . 19635 1 557 . 1 1 52 52 LEU CD1 C 13 24.118 . . . . . . A 52 LEU CD1 . 19635 1 558 . 1 1 52 52 LEU CD2 C 13 27.212 . . . . . . A 52 LEU CD2 . 19635 1 559 . 1 1 52 52 LEU N N 15 118.818 . . . . . . A 52 LEU N . 19635 1 560 . 1 1 53 53 SER H H 1 8.385 . . . . . . A 53 SER H . 19635 1 561 . 1 1 53 53 SER HA H 1 4.358 . . . . . . A 53 SER HA . 19635 1 562 . 1 1 53 53 SER HB2 H 1 4.041 . . . . . . A 53 SER HB2 . 19635 1 563 . 1 1 53 53 SER HB3 H 1 4.041 . . . . . . A 53 SER HB3 . 19635 1 564 . 1 1 53 53 SER C C 13 178.307 . . . . . . A 53 SER C . 19635 1 565 . 1 1 53 53 SER CA C 13 62.270 . . . . . . A 53 SER CA . 19635 1 566 . 1 1 53 53 SER CB C 13 62.340 . . . . . . A 53 SER CB . 19635 1 567 . 1 1 53 53 SER N N 15 115.007 . . . . . . A 53 SER N . 19635 1 568 . 1 1 54 54 GLN H H 1 8.478 . . . . . . A 54 GLN H . 19635 1 569 . 1 1 54 54 GLN HA H 1 4.219 . . . . . . A 54 GLN HA . 19635 1 570 . 1 1 54 54 GLN HB2 H 1 2.547 . . . . . . A 54 GLN HB2 . 19635 1 571 . 1 1 54 54 GLN HB3 H 1 2.003 . . . . . . A 54 GLN HB3 . 19635 1 572 . 1 1 54 54 GLN HG2 H 1 2.676 . . . . . . A 54 GLN HG2 . 19635 1 573 . 1 1 54 54 GLN HG3 H 1 2.438 . . . . . . A 54 GLN HG3 . 19635 1 574 . 1 1 54 54 GLN C C 13 179.361 . . . . . . A 54 GLN C . 19635 1 575 . 1 1 54 54 GLN CA C 13 58.618 . . . . . . A 54 GLN CA . 19635 1 576 . 1 1 54 54 GLN CB C 13 29.942 . . . . . . A 54 GLN CB . 19635 1 577 . 1 1 54 54 GLN CG C 13 34.856 . . . . . . A 54 GLN CG . 19635 1 578 . 1 1 54 54 GLN N N 15 122.316 . . . . . . A 54 GLN N . 19635 1 579 . 1 1 55 55 LEU H H 1 8.354 . . . . . . A 55 LEU H . 19635 1 580 . 1 1 55 55 LEU HA H 1 4.209 . . . . . . A 55 LEU HA . 19635 1 581 . 1 1 55 55 LEU HB2 H 1 2.118 . . . . . . A 55 LEU HB2 . 19635 1 582 . 1 1 55 55 LEU HB3 H 1 1.401 . . . . . . A 55 LEU HB3 . 19635 1 583 . 1 1 55 55 LEU HG H 1 1.870 . . . . . . A 55 LEU HG . 19635 1 584 . 1 1 55 55 LEU HD11 H 1 0.905 . . . . . . A 55 LEU HD11 . 19635 1 585 . 1 1 55 55 LEU HD12 H 1 0.905 . . . . . . A 55 LEU HD12 . 19635 1 586 . 1 1 55 55 LEU HD13 H 1 0.905 . . . . . . A 55 LEU HD13 . 19635 1 587 . 1 1 55 55 LEU HD21 H 1 0.756 . . . . . . A 55 LEU HD21 . 19635 1 588 . 1 1 55 55 LEU HD22 H 1 0.756 . . . . . . A 55 LEU HD22 . 19635 1 589 . 1 1 55 55 LEU HD23 H 1 0.756 . . . . . . A 55 LEU HD23 . 19635 1 590 . 1 1 55 55 LEU C C 13 178.989 . . . . . . A 55 LEU C . 19635 1 591 . 1 1 55 55 LEU CA C 13 57.972 . . . . . . A 55 LEU CA . 19635 1 592 . 1 1 55 55 LEU CB C 13 41.910 . . . . . . A 55 LEU CB . 19635 1 593 . 1 1 55 55 LEU CG C 13 26.273 . . . . . . A 55 LEU CG . 19635 1 594 . 1 1 55 55 LEU CD1 C 13 24.202 . . . . . . A 55 LEU CD1 . 19635 1 595 . 1 1 55 55 LEU CD2 C 13 25.295 . . . . . . A 55 LEU CD2 . 19635 1 596 . 1 1 55 55 LEU N N 15 122.348 . . . . . . A 55 LEU N . 19635 1 597 . 1 1 56 56 HIS H H 1 8.592 . . . . . . A 56 HIS H . 19635 1 598 . 1 1 56 56 HIS HA H 1 4.358 . . . . . . A 56 HIS HA . 19635 1 599 . 1 1 56 56 HIS HB2 H 1 3.299 . . . . . . A 56 HIS HB2 . 19635 1 600 . 1 1 56 56 HIS HB3 H 1 3.224 . . . . . . A 56 HIS HB3 . 19635 1 601 . 1 1 56 56 HIS HD2 H 1 7.049 . . . . . . A 56 HIS HD2 . 19635 1 602 . 1 1 56 56 HIS C C 13 179.671 . . . . . . A 56 HIS C . 19635 1 603 . 1 1 56 56 HIS CA C 13 60.757 . . . . . . A 56 HIS CA . 19635 1 604 . 1 1 56 56 HIS CB C 13 30.670 . . . . . . A 56 HIS CB . 19635 1 605 . 1 1 56 56 HIS CG C 13 60.973 . . . . . . A 56 HIS CG . 19635 1 606 . 1 1 56 56 HIS CD2 C 13 119.309 . . . . . . A 56 HIS CD2 . 19635 1 607 . 1 1 56 56 HIS N N 15 119.481 . . . . . . A 56 HIS N . 19635 1 608 . 1 1 57 57 ALA H H 1 8.091 . . . . . . A 57 ALA H . 19635 1 609 . 1 1 57 57 ALA HA H 1 4.289 . . . . . . A 57 ALA HA . 19635 1 610 . 1 1 57 57 ALA HB1 H 1 1.609 . . . . . . A 57 ALA HB1 . 19635 1 611 . 1 1 57 57 ALA HB2 H 1 1.609 . . . . . . A 57 ALA HB2 . 19635 1 612 . 1 1 57 57 ALA HB3 H 1 1.609 . . . . . . A 57 ALA HB3 . 19635 1 613 . 1 1 57 57 ALA C C 13 179.919 . . . . . . A 57 ALA C . 19635 1 614 . 1 1 57 57 ALA CA C 13 54.877 . . . . . . A 57 ALA CA . 19635 1 615 . 1 1 57 57 ALA CB C 13 17.716 . . . . . . A 57 ALA CB . 19635 1 616 . 1 1 57 57 ALA N N 15 122.582 . . . . . . A 57 ALA N . 19635 1 617 . 1 1 58 58 ALA H H 1 7.835 . . . . . . A 58 ALA H . 19635 1 618 . 1 1 58 58 ALA HA H 1 3.812 . . . . . . A 58 ALA HA . 19635 1 619 . 1 1 58 58 ALA HB1 H 1 1.367 . . . . . . A 58 ALA HB1 . 19635 1 620 . 1 1 58 58 ALA HB2 H 1 1.367 . . . . . . A 58 ALA HB2 . 19635 1 621 . 1 1 58 58 ALA HB3 H 1 1.367 . . . . . . A 58 ALA HB3 . 19635 1 622 . 1 1 58 58 ALA C C 13 178.570 . . . . . . A 58 ALA C . 19635 1 623 . 1 1 58 58 ALA CA C 13 55.149 . . . . . . A 58 ALA CA . 19635 1 624 . 1 1 58 58 ALA CB C 13 17.677 . . . . . . A 58 ALA CB . 19635 1 625 . 1 1 58 58 ALA N N 15 122.641 . . . . . . A 58 ALA N . 19635 1 626 . 1 1 59 59 ALA H H 1 7.390 . . . . . . A 59 ALA H . 19635 1 627 . 1 1 59 59 ALA HA H 1 3.802 . . . . . . A 59 ALA HA . 19635 1 628 . 1 1 59 59 ALA HB1 H 1 1.360 . . . . . . A 59 ALA HB1 . 19635 1 629 . 1 1 59 59 ALA HB2 H 1 1.360 . . . . . . A 59 ALA HB2 . 19635 1 630 . 1 1 59 59 ALA HB3 H 1 1.360 . . . . . . A 59 ALA HB3 . 19635 1 631 . 1 1 59 59 ALA C C 13 179.360 . . . . . . A 59 ALA C . 19635 1 632 . 1 1 59 59 ALA CA C 13 55.149 . . . . . . A 59 ALA CA . 19635 1 633 . 1 1 59 59 ALA CB C 13 17.509 . . . . . . A 59 ALA CB . 19635 1 634 . 1 1 59 59 ALA N N 15 117.349 . . . . . . A 59 ALA N . 19635 1 635 . 1 1 60 60 ALA H H 1 7.944 . . . . . . A 60 ALA H . 19635 1 636 . 1 1 60 60 ALA HA H 1 4.279 . . . . . . A 60 ALA HA . 19635 1 637 . 1 1 60 60 ALA HB1 H 1 1.596 . . . . . . A 60 ALA HB1 . 19635 1 638 . 1 1 60 60 ALA HB2 H 1 1.596 . . . . . . A 60 ALA HB2 . 19635 1 639 . 1 1 60 60 ALA HB3 H 1 1.596 . . . . . . A 60 ALA HB3 . 19635 1 640 . 1 1 60 60 ALA C C 13 179.315 . . . . . . A 60 ALA C . 19635 1 641 . 1 1 60 60 ALA CA C 13 54.644 . . . . . . A 60 ALA CA . 19635 1 642 . 1 1 60 60 ALA CB C 13 17.625 . . . . . . A 60 ALA CB . 19635 1 643 . 1 1 60 60 ALA N N 15 119.393 . . . . . . A 60 ALA N . 19635 1 644 . 1 1 61 61 ARG H H 1 7.739 . . . . . . A 61 ARG H . 19635 1 645 . 1 1 61 61 ARG HA H 1 4.229 . . . . . . A 61 ARG HA . 19635 1 646 . 1 1 61 61 ARG HB2 H 1 2.037 . . . . . . A 61 ARG HB2 . 19635 1 647 . 1 1 61 61 ARG HB3 H 1 1.710 . . . . . . A 61 ARG HB3 . 19635 1 648 . 1 1 61 61 ARG HG2 H 1 2.151 . . . . . . A 61 ARG HG2 . 19635 1 649 . 1 1 61 61 ARG HG3 H 1 1.779 . . . . . . A 61 ARG HG3 . 19635 1 650 . 1 1 61 61 ARG HD2 H 1 3.195 . . . . . . A 61 ARG HD2 . 19635 1 651 . 1 1 61 61 ARG HD3 H 1 2.878 . . . . . . A 61 ARG HD3 . 19635 1 652 . 1 1 61 61 ARG C C 13 180.214 . . . . . . A 61 ARG C . 19635 1 653 . 1 1 61 61 ARG CA C 13 59.519 . . . . . . A 61 ARG CA . 19635 1 654 . 1 1 61 61 ARG CB C 13 31.216 . . . . . . A 61 ARG CB . 19635 1 655 . 1 1 61 61 ARG CG C 13 26.484 . . . . . . A 61 ARG CG . 19635 1 656 . 1 1 61 61 ARG CD C 13 44.776 . . . . . . A 61 ARG CD . 19635 1 657 . 1 1 61 61 ARG N N 15 116.621 . . . . . . A 61 ARG N . 19635 1 658 . 1 1 62 62 ILE H H 1 7.315 . . . . . . A 62 ILE H . 19635 1 659 . 1 1 62 62 ILE HA H 1 3.742 . . . . . . A 62 ILE HA . 19635 1 660 . 1 1 62 62 ILE HB H 1 2.181 . . . . . . A 62 ILE HB . 19635 1 661 . 1 1 62 62 ILE HG12 H 1 1.439 . . . . . . A 62 ILE HG12 . 19635 1 662 . 1 1 62 62 ILE HG13 H 1 1.330 . . . . . . A 62 ILE HG13 . 19635 1 663 . 1 1 62 62 ILE HG21 H 1 1.003 . . . . . . A 62 ILE HG21 . 19635 1 664 . 1 1 62 62 ILE HG22 H 1 1.003 . . . . . . A 62 ILE HG22 . 19635 1 665 . 1 1 62 62 ILE HG23 H 1 1.003 . . . . . . A 62 ILE HG23 . 19635 1 666 . 1 1 62 62 ILE HD11 H 1 0.667 . . . . . . A 62 ILE HD11 . 19635 1 667 . 1 1 62 62 ILE HD12 H 1 0.667 . . . . . . A 62 ILE HD12 . 19635 1 668 . 1 1 62 62 ILE HD13 H 1 0.667 . . . . . . A 62 ILE HD13 . 19635 1 669 . 1 1 62 62 ILE C C 13 178.214 . . . . . . A 62 ILE C . 19635 1 670 . 1 1 62 62 ILE CA C 13 63.705 . . . . . . A 62 ILE CA . 19635 1 671 . 1 1 62 62 ILE CB C 13 36.221 . . . . . . A 62 ILE CB . 19635 1 672 . 1 1 62 62 ILE CG1 C 13 28.577 . . . . . . A 62 ILE CG1 . 19635 1 673 . 1 1 62 62 ILE CG2 C 13 18.930 . . . . . . A 62 ILE CG2 . 19635 1 674 . 1 1 62 62 ILE CD1 C 13 12.560 . . . . . . A 62 ILE CD1 . 19635 1 675 . 1 1 62 62 ILE N N 15 117.642 . . . . . . A 62 ILE N . 19635 1 676 . 1 1 63 63 GLY H H 1 7.862 . . . . . . A 63 GLY H . 19635 1 677 . 1 1 63 63 GLY HA2 H 1 3.643 . . . . . . A 63 GLY HA2 . 19635 1 678 . 1 1 63 63 GLY HA3 H 1 4.318 . . . . . . A 63 GLY HA3 . 19635 1 679 . 1 1 63 63 GLY C C 13 176.152 . . . . . . A 63 GLY C . 19635 1 680 . 1 1 63 63 GLY CA C 13 47.975 . . . . . . A 63 GLY CA . 19635 1 681 . 1 1 63 63 GLY N N 15 107.326 . . . . . . A 63 GLY N . 19635 1 682 . 1 1 64 64 ASP H H 1 8.899 . . . . . . A 64 ASP H . 19635 1 683 . 1 1 64 64 ASP HA H 1 4.447 . . . . . . A 64 ASP HA . 19635 1 684 . 1 1 64 64 ASP HB2 H 1 2.844 . . . . . . A 64 ASP HB2 . 19635 1 685 . 1 1 64 64 ASP HB3 H 1 2.735 . . . . . . A 64 ASP HB3 . 19635 1 686 . 1 1 64 64 ASP C C 13 178.338 . . . . . . A 64 ASP C . 19635 1 687 . 1 1 64 64 ASP CA C 13 57.516 . . . . . . A 64 ASP CA . 19635 1 688 . 1 1 64 64 ASP CB C 13 40.135 . . . . . . A 64 ASP CB . 19635 1 689 . 1 1 64 64 ASP N N 15 121.729 . . . . . . A 64 ASP N . 19635 1 690 . 1 1 65 65 PHE H H 1 7.662 . . . . . . A 65 PHE H . 19635 1 691 . 1 1 65 65 PHE HA H 1 4.259 . . . . . . A 65 PHE HA . 19635 1 692 . 1 1 65 65 PHE HB2 H 1 3.217 . . . . . . A 65 PHE HB2 . 19635 1 693 . 1 1 65 65 PHE HB3 H 1 3.165 . . . . . . A 65 PHE HB3 . 19635 1 694 . 1 1 65 65 PHE HD1 H 1 6.704 . . . . . . A 65 PHE HD1 . 19635 1 695 . 1 1 65 65 PHE HD2 H 1 6.704 . . . . . . A 65 PHE HD2 . 19635 1 696 . 1 1 65 65 PHE HE1 H 1 5.986 . . . . . . A 65 PHE HE1 . 19635 1 697 . 1 1 65 65 PHE HE2 H 1 5.986 . . . . . . A 65 PHE HE2 . 19635 1 698 . 1 1 65 65 PHE HZ H 1 6.502 . . . . . . A 65 PHE HZ . 19635 1 699 . 1 1 65 65 PHE C C 13 176.989 . . . . . . A 65 PHE C . 19635 1 700 . 1 1 65 65 PHE CA C 13 61.357 . . . . . . A 65 PHE CA . 19635 1 701 . 1 1 65 65 PHE CB C 13 39.589 . . . . . . A 65 PHE CB . 19635 1 702 . 1 1 65 65 PHE CD1 C 13 132.002 . . . . . . A 65 PHE CD1 . 19635 1 703 . 1 1 65 65 PHE CD2 C 13 131.002 . . . . . . A 65 PHE CD2 . 19635 1 704 . 1 1 65 65 PHE CE1 C 13 130.533 . . . . . . A 65 PHE CE1 . 19635 1 705 . 1 1 65 65 PHE CE2 C 13 130.533 . . . . . . A 65 PHE CE2 . 19635 1 706 . 1 1 65 65 PHE CZ C 13 128.426 . . . . . . A 65 PHE CZ . 19635 1 707 . 1 1 65 65 PHE N N 15 122.347 . . . . . . A 65 PHE N . 19635 1 708 . 1 1 66 66 TYR H H 1 8.105 . . . . . . A 66 TYR H . 19635 1 709 . 1 1 66 66 TYR HA H 1 3.752 . . . . . . A 66 TYR HA . 19635 1 710 . 1 1 66 66 TYR HB2 H 1 3.220 . . . . . . A 66 TYR HB2 . 19635 1 711 . 1 1 66 66 TYR HB3 H 1 3.235 . . . . . . A 66 TYR HB3 . 19635 1 712 . 1 1 66 66 TYR HD1 H 1 7.300 . . . . . . A 66 TYR HD1 . 19635 1 713 . 1 1 66 66 TYR HD2 H 1 7.300 . . . . . . A 66 TYR HD2 . 19635 1 714 . 1 1 66 66 TYR HE1 H 1 6.630 . . . . . . A 66 TYR HE1 . 19635 1 715 . 1 1 66 66 TYR HE2 H 1 6.630 . . . . . . A 66 TYR HE2 . 19635 1 716 . 1 1 66 66 TYR C C 13 179.253 . . . . . . A 66 TYR C . 19635 1 717 . 1 1 66 66 TYR CA C 13 63.822 . . . . . . A 66 TYR CA . 19635 1 718 . 1 1 66 66 TYR CB C 13 38.532 . . . . . . A 66 TYR CB . 19635 1 719 . 1 1 66 66 TYR CD1 C 13 132.963 . . . . . . A 66 TYR CD1 . 19635 1 720 . 1 1 66 66 TYR CD2 C 13 132.963 . . . . . . A 66 TYR CD2 . 19635 1 721 . 1 1 66 66 TYR CE1 C 13 118.800 . . . . . . A 66 TYR CE1 . 19635 1 722 . 1 1 66 66 TYR CE2 C 13 118.800 . . . . . . A 66 TYR CE2 . 19635 1 723 . 1 1 66 66 TYR N N 15 117.664 . . . . . . A 66 TYR N . 19635 1 724 . 1 1 67 67 GLN H H 1 8.263 . . . . . . A 67 GLN H . 19635 1 725 . 1 1 67 67 GLN HA H 1 3.752 . . . . . . A 67 GLN HA . 19635 1 726 . 1 1 67 67 GLN HB2 H 1 2.301 . . . . . . A 67 GLN HB2 . 19635 1 727 . 1 1 67 67 GLN HB3 H 1 2.272 . . . . . . A 67 GLN HB3 . 19635 1 728 . 1 1 67 67 GLN HG2 H 1 2.656 . . . . . . A 67 GLN HG2 . 19635 1 729 . 1 1 67 67 GLN HG3 H 1 2.557 . . . . . . A 67 GLN HG3 . 19635 1 730 . 1 1 67 67 GLN C C 13 180.322 . . . . . . A 67 GLN C . 19635 1 731 . 1 1 67 67 GLN CA C 13 59.714 . . . . . . A 67 GLN CA . 19635 1 732 . 1 1 67 67 GLN CB C 13 27.759 . . . . . . A 67 GLN CB . 19635 1 733 . 1 1 67 67 GLN CG C 13 34.037 . . . . . . A 67 GLN CG . 19635 1 734 . 1 1 67 67 GLN N N 15 117.372 . . . . . . A 67 GLN N . 19635 1 735 . 1 1 68 68 GLU H H 1 8.525 . . . . . . A 68 GLU H . 19635 1 736 . 1 1 68 68 GLU HA H 1 4.130 . . . . . . A 68 GLU HA . 19635 1 737 . 1 1 68 68 GLU HB2 H 1 1.874 . . . . . . A 68 GLU HB2 . 19635 1 738 . 1 1 68 68 GLU HB3 H 1 1.251 . . . . . . A 68 GLU HB3 . 19635 1 739 . 1 1 68 68 GLU HG2 H 1 0.668 . . . . . . A 68 GLU HG2 . 19635 1 740 . 1 1 68 68 GLU HG3 H 1 0.668 . . . . . . A 68 GLU HG3 . 19635 1 741 . 1 1 68 68 GLU C C 13 178.400 . . . . . . A 68 GLU C . 19635 1 742 . 1 1 68 68 GLU CA C 13 56.062 . . . . . . A 68 GLU CA . 19635 1 743 . 1 1 68 68 GLU CB C 13 41.955 . . . . . . A 68 GLU CB . 19635 1 744 . 1 1 68 68 GLU CG C 13 21.934 . . . . . . A 68 GLU CG . 19635 1 745 . 1 1 68 68 GLU N N 15 122.805 . . . . . . A 68 GLU N . 19635 1 746 . 1 1 69 69 LYS H H 1 7.413 . . . . . . A 69 LYS H . 19635 1 747 . 1 1 69 69 LYS HA H 1 4.223 . . . . . . A 69 LYS HA . 19635 1 748 . 1 1 69 69 LYS HB2 H 1 2.212 . . . . . . A 69 LYS HB2 . 19635 1 749 . 1 1 69 69 LYS HB3 H 1 1.854 . . . . . . A 69 LYS HB3 . 19635 1 750 . 1 1 69 69 LYS HG2 H 1 0.851 . . . . . . A 69 LYS HG2 . 19635 1 751 . 1 1 69 69 LYS HG3 H 1 0.652 . . . . . . A 69 LYS HG3 . 19635 1 752 . 1 1 69 69 LYS HD2 H 1 1.367 . . . . . . A 69 LYS HD2 . 19635 1 753 . 1 1 69 69 LYS HD3 H 1 1.367 . . . . . . A 69 LYS HD3 . 19635 1 754 . 1 1 69 69 LYS HE2 H 1 2.768 . . . . . . A 69 LYS HE2 . 19635 1 755 . 1 1 69 69 LYS HE3 H 1 2.460 . . . . . . A 69 LYS HE3 . 19635 1 756 . 1 1 69 69 LYS C C 13 176.090 . . . . . . A 69 LYS C . 19635 1 757 . 1 1 69 69 LYS CA C 13 54.692 . . . . . . A 69 LYS CA . 19635 1 758 . 1 1 69 69 LYS CB C 13 31.685 . . . . . . A 69 LYS CB . 19635 1 759 . 1 1 69 69 LYS CG C 13 23.572 . . . . . . A 69 LYS CG . 19635 1 760 . 1 1 69 69 LYS CD C 13 27.576 . . . . . . A 69 LYS CD . 19635 1 761 . 1 1 69 69 LYS CE C 13 42.410 . . . . . . A 69 LYS CE . 19635 1 762 . 1 1 69 69 LYS N N 15 116.254 . . . . . . A 69 LYS N . 19635 1 763 . 1 1 70 70 GLY H H 1 7.770 . . . . . . A 70 GLY H . 19635 1 764 . 1 1 70 70 GLY HA2 H 1 3.613 . . . . . . A 70 GLY HA2 . 19635 1 765 . 1 1 70 70 GLY HA3 H 1 4.209 . . . . . . A 70 GLY HA3 . 19635 1 766 . 1 1 70 70 GLY C C 13 174.602 . . . . . . A 70 GLY C . 19635 1 767 . 1 1 70 70 GLY CA C 13 45.197 . . . . . . A 70 GLY CA . 19635 1 768 . 1 1 70 70 GLY N N 15 105.876 . . . . . . A 70 GLY N . 19635 1 769 . 1 1 71 71 TYR H H 1 8.387 . . . . . . A 71 TYR H . 19635 1 770 . 1 1 71 71 TYR HA H 1 4.795 . . . . . . A 71 TYR HA . 19635 1 771 . 1 1 71 71 TYR HB2 H 1 3.414 . . . . . . A 71 TYR HB2 . 19635 1 772 . 1 1 71 71 TYR HB3 H 1 3.196 . . . . . . A 71 TYR HB3 . 19635 1 773 . 1 1 71 71 TYR HD1 H 1 7.278 . . . . . . A 71 TYR HD1 . 19635 1 774 . 1 1 71 71 TYR HD2 H 1 7.278 . . . . . . A 71 TYR HD2 . 19635 1 775 . 1 1 71 71 TYR HE1 H 1 6.825 . . . . . . A 71 TYR HE1 . 19635 1 776 . 1 1 71 71 TYR HE2 H 1 6.825 . . . . . . A 71 TYR HE2 . 19635 1 777 . 1 1 71 71 TYR C C 13 177.082 . . . . . . A 71 TYR C . 19635 1 778 . 1 1 71 71 TYR CA C 13 57.431 . . . . . . A 71 TYR CA . 19635 1 779 . 1 1 71 71 TYR CB C 13 36.524 . . . . . . A 71 TYR CB . 19635 1 780 . 1 1 71 71 TYR CD1 C 13 132.874 . . . . . . A 71 TYR CD1 . 19635 1 781 . 1 1 71 71 TYR CD2 C 13 132.874 . . . . . . A 71 TYR CD2 . 19635 1 782 . 1 1 71 71 TYR CE1 C 13 118.000 . . . . . . A 71 TYR CE1 . 19635 1 783 . 1 1 71 71 TYR CE2 C 13 118.000 . . . . . . A 71 TYR CE2 . 19635 1 784 . 1 1 71 71 TYR N N 15 124.341 . . . . . . A 71 TYR N . 19635 1 785 . 1 1 72 72 VAL H H 1 7.239 . . . . . . A 72 VAL H . 19635 1 786 . 1 1 72 72 VAL HA H 1 4.010 . . . . . . A 72 VAL HA . 19635 1 787 . 1 1 72 72 VAL HB H 1 2.369 . . . . . . A 72 VAL HB . 19635 1 788 . 1 1 72 72 VAL HG11 H 1 0.984 . . . . . . A 72 VAL HG11 . 19635 1 789 . 1 1 72 72 VAL HG12 H 1 0.984 . . . . . . A 72 VAL HG12 . 19635 1 790 . 1 1 72 72 VAL HG13 H 1 0.984 . . . . . . A 72 VAL HG13 . 19635 1 791 . 1 1 72 72 VAL HG21 H 1 1.042 . . . . . . A 72 VAL HG21 . 19635 1 792 . 1 1 72 72 VAL HG22 H 1 1.042 . . . . . . A 72 VAL HG22 . 19635 1 793 . 1 1 72 72 VAL HG23 H 1 1.042 . . . . . . A 72 VAL HG23 . 19635 1 794 . 1 1 72 72 VAL C C 13 176.989 . . . . . . A 72 VAL C . 19635 1 795 . 1 1 72 72 VAL CA C 13 64.251 . . . . . . A 72 VAL CA . 19635 1 796 . 1 1 72 72 VAL CB C 13 31.440 . . . . . . A 72 VAL CB . 19635 1 797 . 1 1 72 72 VAL CG1 C 13 19.113 . . . . . . A 72 VAL CG1 . 19635 1 798 . 1 1 72 72 VAL CG2 C 13 21.661 . . . . . . A 72 VAL CG2 . 19635 1 799 . 1 1 72 72 VAL N N 15 113.636 . . . . . . A 72 VAL N . 19635 1 800 . 1 1 73 73 LEU H H 1 8.765 . . . . . . A 73 LEU H . 19635 1 801 . 1 1 73 73 LEU HA H 1 4.487 . . . . . . A 73 LEU HA . 19635 1 802 . 1 1 73 73 LEU HB2 H 1 1.864 . . . . . . A 73 LEU HB2 . 19635 1 803 . 1 1 73 73 LEU HB3 H 1 1.665 . . . . . . A 73 LEU HB3 . 19635 1 804 . 1 1 73 73 LEU HG H 1 1.676 . . . . . . A 73 LEU HG . 19635 1 805 . 1 1 73 73 LEU HD11 H 1 0.885 . . . . . . A 73 LEU HD11 . 19635 1 806 . 1 1 73 73 LEU HD12 H 1 0.885 . . . . . . A 73 LEU HD12 . 19635 1 807 . 1 1 73 73 LEU HD13 H 1 0.885 . . . . . . A 73 LEU HD13 . 19635 1 808 . 1 1 73 73 LEU HD21 H 1 0.984 . . . . . . A 73 LEU HD21 . 19635 1 809 . 1 1 73 73 LEU HD22 H 1 0.984 . . . . . . A 73 LEU HD22 . 19635 1 810 . 1 1 73 73 LEU HD23 H 1 0.984 . . . . . . A 73 LEU HD23 . 19635 1 811 . 1 1 73 73 LEU C C 13 176.927 . . . . . . A 73 LEU C . 19635 1 812 . 1 1 73 73 LEU CA C 13 54.474 . . . . . . A 73 LEU CA . 19635 1 813 . 1 1 73 73 LEU CB C 13 41.819 . . . . . . A 73 LEU CB . 19635 1 814 . 1 1 73 73 LEU CG C 13 27.501 . . . . . . A 73 LEU CG . 19635 1 815 . 1 1 73 73 LEU CD1 C 13 22.389 . . . . . . A 73 LEU CD1 . 19635 1 816 . 1 1 73 73 LEU CD2 C 13 25.119 . . . . . . A 73 LEU CD2 . 19635 1 817 . 1 1 73 73 LEU N N 15 120.170 . . . . . . A 73 LEU N . 19635 1 818 . 1 1 74 74 ALA H H 1 7.322 . . . . . . A 74 ALA H . 19635 1 819 . 1 1 74 74 ALA HA H 1 4.537 . . . . . . A 74 ALA HA . 19635 1 820 . 1 1 74 74 ALA HB1 H 1 1.268 . . . . . . A 74 ALA HB1 . 19635 1 821 . 1 1 74 74 ALA HB2 H 1 1.268 . . . . . . A 74 ALA HB2 . 19635 1 822 . 1 1 74 74 ALA HB3 H 1 1.268 . . . . . . A 74 ALA HB3 . 19635 1 823 . 1 1 74 74 ALA C C 13 177.516 . . . . . . A 74 ALA C . 19635 1 824 . 1 1 74 74 ALA CA C 13 52.329 . . . . . . A 74 ALA CA . 19635 1 825 . 1 1 74 74 ALA CB C 13 21.065 . . . . . . A 74 ALA CB . 19635 1 826 . 1 1 74 74 ALA N N 15 122.084 . . . . . . A 74 ALA N . 19635 1 827 . 1 1 75 75 ARG H H 1 8.521 . . . . . . A 75 ARG H . 19635 1 828 . 1 1 75 75 ARG HA H 1 4.606 . . . . . . A 75 ARG HA . 19635 1 829 . 1 1 75 75 ARG HB2 H 1 1.808 . . . . . . A 75 ARG HB2 . 19635 1 830 . 1 1 75 75 ARG HB3 H 1 1.775 . . . . . . A 75 ARG HB3 . 19635 1 831 . 1 1 75 75 ARG HG2 H 1 1.657 . . . . . . A 75 ARG HG2 . 19635 1 832 . 1 1 75 75 ARG HG3 H 1 1.597 . . . . . . A 75 ARG HG3 . 19635 1 833 . 1 1 75 75 ARG HD2 H 1 3.250 . . . . . . A 75 ARG HD2 . 19635 1 834 . 1 1 75 75 ARG HD3 H 1 3.131 . . . . . . A 75 ARG HD3 . 19635 1 835 . 1 1 75 75 ARG C C 13 173.036 . . . . . . A 75 ARG C . 19635 1 836 . 1 1 75 75 ARG CA C 13 54.604 . . . . . . A 75 ARG CA . 19635 1 837 . 1 1 75 75 ARG CB C 13 34.037 . . . . . . A 75 ARG CB . 19635 1 838 . 1 1 75 75 ARG CG C 13 26.848 . . . . . . A 75 ARG CG . 19635 1 839 . 1 1 75 75 ARG CD C 13 43.411 . . . . . . A 75 ARG CD . 19635 1 840 . 1 1 75 75 ARG N N 15 118.061 . . . . . . A 75 ARG N . 19635 1 841 . 1 1 76 76 ALA H H 1 8.553 . . . . . . A 76 ALA H . 19635 1 842 . 1 1 76 76 ALA HA H 1 5.533 . . . . . . A 76 ALA HA . 19635 1 843 . 1 1 76 76 ALA HB1 H 1 1.208 . . . . . . A 76 ALA HB1 . 19635 1 844 . 1 1 76 76 ALA HB2 H 1 1.208 . . . . . . A 76 ALA HB2 . 19635 1 845 . 1 1 76 76 ALA HB3 H 1 1.208 . . . . . . A 76 ALA HB3 . 19635 1 846 . 1 1 76 76 ALA C C 13 176.028 . . . . . . A 76 ALA C . 19635 1 847 . 1 1 76 76 ALA CA C 13 50.219 . . . . . . A 76 ALA CA . 19635 1 848 . 1 1 76 76 ALA CB C 13 22.464 . . . . . . A 76 ALA CB . 19635 1 849 . 1 1 76 76 ALA N N 15 122.847 . . . . . . A 76 ALA N . 19635 1 850 . 1 1 77 77 PHE H H 1 9.079 . . . . . . A 77 PHE H . 19635 1 851 . 1 1 77 77 PHE HA H 1 4.922 . . . . . . A 77 PHE HA . 19635 1 852 . 1 1 77 77 PHE HB2 H 1 3.097 . . . . . . A 77 PHE HB2 . 19635 1 853 . 1 1 77 77 PHE HB3 H 1 3.027 . . . . . . A 77 PHE HB3 . 19635 1 854 . 1 1 77 77 PHE HD1 H 1 6.837 . . . . . . A 77 PHE HD1 . 19635 1 855 . 1 1 77 77 PHE HD2 H 1 6.837 . . . . . . A 77 PHE HD2 . 19635 1 856 . 1 1 77 77 PHE HE1 H 1 7.161 . . . . . . A 77 PHE HE1 . 19635 1 857 . 1 1 77 77 PHE HE2 H 1 7.161 . . . . . . A 77 PHE HE2 . 19635 1 858 . 1 1 77 77 PHE HZ H 1 7.251 . . . . . . A 77 PHE HZ . 19635 1 859 . 1 1 77 77 PHE C C 13 172.091 . . . . . . A 77 PHE C . 19635 1 860 . 1 1 77 77 PHE CA C 13 55.697 . . . . . . A 77 PHE CA . 19635 1 861 . 1 1 77 77 PHE CB C 13 41.637 . . . . . . A 77 PHE CB . 19635 1 862 . 1 1 77 77 PHE CD1 C 13 132.204 . . . . . . A 77 PHE CD1 . 19635 1 863 . 1 1 77 77 PHE CD2 C 13 132.204 . . . . . . A 77 PHE CD2 . 19635 1 864 . 1 1 77 77 PHE CE1 C 13 131.019 . . . . . . A 77 PHE CE1 . 19635 1 865 . 1 1 77 77 PHE CE2 C 13 131.019 . . . . . . A 77 PHE CE2 . 19635 1 866 . 1 1 77 77 PHE CZ C 13 130.011 . . . . . . A 77 PHE CZ . 19635 1 867 . 1 1 77 77 PHE N N 15 117.410 . . . . . . A 77 PHE N . 19635 1 868 . 1 1 78 78 LEU H H 1 9.031 . . . . . . A 78 LEU H . 19635 1 869 . 1 1 78 78 LEU HA H 1 5.023 . . . . . . A 78 LEU HA . 19635 1 870 . 1 1 78 78 LEU HB2 H 1 1.825 . . . . . . A 78 LEU HB2 . 19635 1 871 . 1 1 78 78 LEU HB3 H 1 1.256 . . . . . . A 78 LEU HB3 . 19635 1 872 . 1 1 78 78 LEU HG H 1 1.462 . . . . . . A 78 LEU HG . 19635 1 873 . 1 1 78 78 LEU HD11 H 1 0.558 . . . . . . A 78 LEU HD11 . 19635 1 874 . 1 1 78 78 LEU HD12 H 1 0.558 . . . . . . A 78 LEU HD12 . 19635 1 875 . 1 1 78 78 LEU HD13 H 1 0.558 . . . . . . A 78 LEU HD13 . 19635 1 876 . 1 1 78 78 LEU HD21 H 1 0.726 . . . . . . A 78 LEU HD21 . 19635 1 877 . 1 1 78 78 LEU HD22 H 1 0.726 . . . . . . A 78 LEU HD22 . 19635 1 878 . 1 1 78 78 LEU HD23 H 1 0.726 . . . . . . A 78 LEU HD23 . 19635 1 879 . 1 1 78 78 LEU C C 13 174.494 . . . . . . A 78 LEU C . 19635 1 880 . 1 1 78 78 LEU CA C 13 51.328 . . . . . . A 78 LEU CA . 19635 1 881 . 1 1 78 78 LEU CB C 13 42.774 . . . . . . A 78 LEU CB . 19635 1 882 . 1 1 78 78 LEU CG C 13 27.303 . . . . . . A 78 LEU CG . 19635 1 883 . 1 1 78 78 LEU CD1 C 13 25.665 . . . . . . A 78 LEU CD1 . 19635 1 884 . 1 1 78 78 LEU CD2 C 13 25.847 . . . . . . A 78 LEU CD2 . 19635 1 885 . 1 1 78 78 LEU N N 15 123.541 . . . . . . A 78 LEU N . 19635 1 886 . 1 1 79 79 PRO HA H 1 4.661 . . . . . . A 79 PRO HA . 19635 1 887 . 1 1 79 79 PRO HB2 H 1 2.280 . . . . . . A 79 PRO HB2 . 19635 1 888 . 1 1 79 79 PRO HB3 H 1 2.072 . . . . . . A 79 PRO HB3 . 19635 1 889 . 1 1 79 79 PRO HG2 H 1 1.845 . . . . . . A 79 PRO HG2 . 19635 1 890 . 1 1 79 79 PRO HG3 H 1 1.706 . . . . . . A 79 PRO HG3 . 19635 1 891 . 1 1 79 79 PRO HD2 H 1 4.101 . . . . . . A 79 PRO HD2 . 19635 1 892 . 1 1 79 79 PRO HD3 H 1 3.537 . . . . . . A 79 PRO HD3 . 19635 1 893 . 1 1 79 79 PRO C C 13 176.239 . . . . . . A 79 PRO C . 19635 1 894 . 1 1 79 79 PRO CA C 13 62.067 . . . . . . A 79 PRO CA . 19635 1 895 . 1 1 79 79 PRO CB C 13 32.672 . . . . . . A 79 PRO CB . 19635 1 896 . 1 1 79 79 PRO CG C 13 26.757 . . . . . . A 79 PRO CG . 19635 1 897 . 1 1 79 79 PRO CD C 13 50.600 . . . . . . A 79 PRO CD . 19635 1 898 . 1 1 80 80 ALA H H 1 8.488 . . . . . . A 80 ALA H . 19635 1 899 . 1 1 80 80 ALA HA H 1 4.379 . . . . . . A 80 ALA HA . 19635 1 900 . 1 1 80 80 ALA HB1 H 1 1.383 . . . . . . A 80 ALA HB1 . 19635 1 901 . 1 1 80 80 ALA HB2 H 1 1.383 . . . . . . A 80 ALA HB2 . 19635 1 902 . 1 1 80 80 ALA HB3 H 1 1.383 . . . . . . A 80 ALA HB3 . 19635 1 903 . 1 1 80 80 ALA C C 13 177.807 . . . . . . A 80 ALA C . 19635 1 904 . 1 1 80 80 ALA CA C 13 53.291 . . . . . . A 80 ALA CA . 19635 1 905 . 1 1 80 80 ALA CB C 13 17.692 . . . . . . A 80 ALA CB . 19635 1 906 . 1 1 80 80 ALA N N 15 124.122 . . . . . . A 80 ALA N . 19635 1 907 . 1 1 81 81 GLN H H 1 8.157 . . . . . . A 81 GLN H . 19635 1 908 . 1 1 81 81 GLN HA H 1 5.234 . . . . . . A 81 GLN HA . 19635 1 909 . 1 1 81 81 GLN HB2 H 1 1.743 . . . . . . A 81 GLN HB2 . 19635 1 910 . 1 1 81 81 GLN HB3 H 1 1.608 . . . . . . A 81 GLN HB3 . 19635 1 911 . 1 1 81 81 GLN HG2 H 1 1.527 . . . . . . A 81 GLN HG2 . 19635 1 912 . 1 1 81 81 GLN HG3 H 1 1.347 . . . . . . A 81 GLN HG3 . 19635 1 913 . 1 1 81 81 GLN C C 13 173.284 . . . . . . A 81 GLN C . 19635 1 914 . 1 1 81 81 GLN CA C 13 55.332 . . . . . . A 81 GLN CA . 19635 1 915 . 1 1 81 81 GLN CB C 13 31.580 . . . . . . A 81 GLN CB . 19635 1 916 . 1 1 81 81 GLN CG C 13 28.486 . . . . . . A 81 GLN CG . 19635 1 917 . 1 1 81 81 GLN N N 15 118.018 . . . . . . A 81 GLN N . 19635 1 918 . 1 1 83 83 ILE HA H 1 4.121 . . . . . . A 83 ILE HA . 19635 1 919 . 1 1 83 83 ILE HB H 1 1.835 . . . . . . A 83 ILE HB . 19635 1 920 . 1 1 83 83 ILE HG12 H 1 1.549 . . . . . . A 83 ILE HG12 . 19635 1 921 . 1 1 83 83 ILE HG13 H 1 1.548 . . . . . . A 83 ILE HG13 . 19635 1 922 . 1 1 83 83 ILE HG21 H 1 0.734 . . . . . . A 83 ILE HG21 . 19635 1 923 . 1 1 83 83 ILE HG22 H 1 0.734 . . . . . . A 83 ILE HG22 . 19635 1 924 . 1 1 83 83 ILE HG23 H 1 0.734 . . . . . . A 83 ILE HG23 . 19635 1 925 . 1 1 83 83 ILE HD11 H 1 0.766 . . . . . . A 83 ILE HD11 . 19635 1 926 . 1 1 83 83 ILE HD12 H 1 0.766 . . . . . . A 83 ILE HD12 . 19635 1 927 . 1 1 83 83 ILE HD13 H 1 0.766 . . . . . . A 83 ILE HD13 . 19635 1 928 . 1 1 83 83 ILE C C 13 175.873 . . . . . . A 83 ILE C . 19635 1 929 . 1 1 83 83 ILE CA C 13 62.249 . . . . . . A 83 ILE CA . 19635 1 930 . 1 1 83 83 ILE CB C 13 37.495 . . . . . . A 83 ILE CB . 19635 1 931 . 1 1 83 83 ILE CG1 C 13 27.849 . . . . . . A 83 ILE CG1 . 19635 1 932 . 1 1 83 83 ILE CG2 C 13 16.928 . . . . . . A 83 ILE CG2 . 19635 1 933 . 1 1 83 83 ILE CD1 C 13 13.925 . . . . . . A 83 ILE CD1 . 19635 1 934 . 1 1 84 84 GLN H H 1 8.679 . . . . . . A 84 GLN H . 19635 1 935 . 1 1 84 84 GLN HA H 1 4.111 . . . . . . A 84 GLN HA . 19635 1 936 . 1 1 84 84 GLN HB2 H 1 1.835 . . . . . . A 84 GLN HB2 . 19635 1 937 . 1 1 84 84 GLN HB3 H 1 1.835 . . . . . . A 84 GLN HB3 . 19635 1 938 . 1 1 84 84 GLN HG2 H 1 2.042 . . . . . . A 84 GLN HG2 . 19635 1 939 . 1 1 84 84 GLN HG3 H 1 2.042 . . . . . . A 84 GLN HG3 . 19635 1 940 . 1 1 84 84 GLN HE21 H 1 7.826 . . . . . . A 84 GLN HE21 . 19635 1 941 . 1 1 84 84 GLN HE22 H 1 8.155 . . . . . . A 84 GLN HE22 . 19635 1 942 . 1 1 84 84 GLN C C 13 176.028 . . . . . . A 84 GLN C . 19635 1 943 . 1 1 84 84 GLN CA C 13 61.521 . . . . . . A 84 GLN CA . 19635 1 944 . 1 1 84 84 GLN CB C 13 37.464 . . . . . . A 84 GLN CB . 19635 1 945 . 1 1 84 84 GLN CG C 13 32.399 . . . . . . A 84 GLN CG . 19635 1 946 . 1 1 84 84 GLN N N 15 126.522 . . . . . . A 84 GLN N . 19635 1 947 . 1 1 84 84 GLN NE2 N 15 111.641 . . . . . . A 84 GLN NE2 . 19635 1 948 . 1 1 85 85 ASP HA H 1 4.488 . . . . . . A 85 ASP HA . 19635 1 949 . 1 1 85 85 ASP HB2 H 1 2.805 . . . . . . A 85 ASP HB2 . 19635 1 950 . 1 1 85 85 ASP HB3 H 1 2.669 . . . . . . A 85 ASP HB3 . 19635 1 951 . 1 1 85 85 ASP C C 13 176.709 . . . . . . A 85 ASP C . 19635 1 952 . 1 1 85 85 ASP CA C 13 54.513 . . . . . . A 85 ASP CA . 19635 1 953 . 1 1 85 85 ASP CB C 13 40.643 . . . . . . A 85 ASP CB . 19635 1 954 . 1 1 86 86 GLY H H 1 8.310 . . . . . . A 86 GLY H . 19635 1 955 . 1 1 86 86 GLY HA2 H 1 4.000 . . . . . . A 86 GLY HA2 . 19635 1 956 . 1 1 86 86 GLY HA3 H 1 3.633 . . . . . . A 86 GLY HA3 . 19635 1 957 . 1 1 86 86 GLY C C 13 174.308 . . . . . . A 86 GLY C . 19635 1 958 . 1 1 86 86 GLY CA C 13 46.323 . . . . . . A 86 GLY CA . 19635 1 959 . 1 1 86 86 GLY N N 15 104.397 . . . . . . A 86 GLY N . 19635 1 960 . 1 1 87 87 THR H H 1 7.877 . . . . . . A 87 THR H . 19635 1 961 . 1 1 87 87 THR HA H 1 4.670 . . . . . . A 87 THR HA . 19635 1 962 . 1 1 87 87 THR HB H 1 4.249 . . . . . . A 87 THR HB . 19635 1 963 . 1 1 87 87 THR HG21 H 1 0.950 . . . . . . A 87 THR HG21 . 19635 1 964 . 1 1 87 87 THR HG22 H 1 0.950 . . . . . . A 87 THR HG22 . 19635 1 965 . 1 1 87 87 THR HG23 H 1 0.950 . . . . . . A 87 THR HG23 . 19635 1 966 . 1 1 87 87 THR C C 13 172.943 . . . . . . A 87 THR C . 19635 1 967 . 1 1 87 87 THR CA C 13 61.905 . . . . . . A 87 THR CA . 19635 1 968 . 1 1 87 87 THR CB C 13 68.779 . . . . . . A 87 THR CB . 19635 1 969 . 1 1 87 87 THR CG2 C 13 21.366 . . . . . . A 87 THR CG2 . 19635 1 970 . 1 1 87 87 THR N N 15 119.045 . . . . . . A 87 THR N . 19635 1 971 . 1 1 88 88 VAL H H 1 8.241 . . . . . . A 88 VAL H . 19635 1 972 . 1 1 88 88 VAL HA H 1 4.110 . . . . . . A 88 VAL HA . 19635 1 973 . 1 1 88 88 VAL HB H 1 1.752 . . . . . . A 88 VAL HB . 19635 1 974 . 1 1 88 88 VAL HG11 H 1 0.677 . . . . . . A 88 VAL HG11 . 19635 1 975 . 1 1 88 88 VAL HG12 H 1 0.677 . . . . . . A 88 VAL HG12 . 19635 1 976 . 1 1 88 88 VAL HG13 H 1 0.677 . . . . . . A 88 VAL HG13 . 19635 1 977 . 1 1 88 88 VAL HG21 H 1 0.897 . . . . . . A 88 VAL HG21 . 19635 1 978 . 1 1 88 88 VAL HG22 H 1 0.897 . . . . . . A 88 VAL HG22 . 19635 1 979 . 1 1 88 88 VAL HG23 H 1 0.897 . . . . . . A 88 VAL HG23 . 19635 1 980 . 1 1 88 88 VAL C C 13 174.463 . . . . . . A 88 VAL C . 19635 1 981 . 1 1 88 88 VAL CA C 13 61.157 . . . . . . A 88 VAL CA . 19635 1 982 . 1 1 88 88 VAL CB C 13 33.237 . . . . . . A 88 VAL CB . 19635 1 983 . 1 1 88 88 VAL CG1 C 13 21.908 . . . . . . A 88 VAL CG1 . 19635 1 984 . 1 1 88 88 VAL CG2 C 13 21.862 . . . . . . A 88 VAL CG2 . 19635 1 985 . 1 1 88 88 VAL N N 15 127.859 . . . . . . A 88 VAL N . 19635 1 986 . 1 1 89 89 ARG H H 1 9.541 . . . . . . A 89 ARG H . 19635 1 987 . 1 1 89 89 ARG HA H 1 5.234 . . . . . . A 89 ARG HA . 19635 1 988 . 1 1 89 89 ARG HB2 H 1 1.745 . . . . . . A 89 ARG HB2 . 19635 1 989 . 1 1 89 89 ARG HB3 H 1 1.607 . . . . . . A 89 ARG HB3 . 19635 1 990 . 1 1 89 89 ARG HG2 H 1 1.526 . . . . . . A 89 ARG HG2 . 19635 1 991 . 1 1 89 89 ARG HG3 H 1 1.348 . . . . . . A 89 ARG HG3 . 19635 1 992 . 1 1 89 89 ARG HD2 H 1 3.173 . . . . . . A 89 ARG HD2 . 19635 1 993 . 1 1 89 89 ARG HD3 H 1 3.114 . . . . . . A 89 ARG HD3 . 19635 1 994 . 1 1 89 89 ARG C C 13 175.470 . . . . . . A 89 ARG C . 19635 1 995 . 1 1 89 89 ARG CA C 13 55.357 . . . . . . A 89 ARG CA . 19635 1 996 . 1 1 89 89 ARG CB C 13 31.594 . . . . . . A 89 ARG CB . 19635 1 997 . 1 1 89 89 ARG CG C 13 28.486 . . . . . . A 89 ARG CG . 19635 1 998 . 1 1 89 89 ARG CD C 13 43.411 . . . . . . A 89 ARG CD . 19635 1 999 . 1 1 89 89 ARG N N 15 129.825 . . . . . . A 89 ARG N . 19635 1 1000 . 1 1 90 90 ILE H H 1 8.641 . . . . . . A 90 ILE H . 19635 1 1001 . 1 1 90 90 ILE HA H 1 4.299 . . . . . . A 90 ILE HA . 19635 1 1002 . 1 1 90 90 ILE HB H 1 1.563 . . . . . . A 90 ILE HB . 19635 1 1003 . 1 1 90 90 ILE HG12 H 1 1.620 . . . . . . A 90 ILE HG12 . 19635 1 1004 . 1 1 90 90 ILE HG13 H 1 0.895 . . . . . . A 90 ILE HG13 . 19635 1 1005 . 1 1 90 90 ILE HG21 H 1 0.716 . . . . . . A 90 ILE HG21 . 19635 1 1006 . 1 1 90 90 ILE HG22 H 1 0.716 . . . . . . A 90 ILE HG22 . 19635 1 1007 . 1 1 90 90 ILE HG23 H 1 0.716 . . . . . . A 90 ILE HG23 . 19635 1 1008 . 1 1 90 90 ILE HD11 H 1 0.528 . . . . . . A 90 ILE HD11 . 19635 1 1009 . 1 1 90 90 ILE HD12 H 1 0.528 . . . . . . A 90 ILE HD12 . 19635 1 1010 . 1 1 90 90 ILE HD13 H 1 0.528 . . . . . . A 90 ILE HD13 . 19635 1 1011 . 1 1 90 90 ILE C C 13 174.106 . . . . . . A 90 ILE C . 19635 1 1012 . 1 1 90 90 ILE CA C 13 60.444 . . . . . . A 90 ILE CA . 19635 1 1013 . 1 1 90 90 ILE CB C 13 41.390 . . . . . . A 90 ILE CB . 19635 1 1014 . 1 1 90 90 ILE CG1 C 13 28.122 . . . . . . A 90 ILE CG1 . 19635 1 1015 . 1 1 90 90 ILE CG2 C 13 16.837 . . . . . . A 90 ILE CG2 . 19635 1 1016 . 1 1 90 90 ILE CD1 C 13 13.743 . . . . . . A 90 ILE CD1 . 19635 1 1017 . 1 1 90 90 ILE N N 15 123.428 . . . . . . A 90 ILE N . 19635 1 1018 . 1 1 91 91 GLU H H 1 8.388 . . . . . . A 91 GLU H . 19635 1 1019 . 1 1 91 91 GLU HA H 1 4.903 . . . . . . A 91 GLU HA . 19635 1 1020 . 1 1 91 91 GLU HB2 H 1 1.329 . . . . . . A 91 GLU HB2 . 19635 1 1021 . 1 1 91 91 GLU HB3 H 1 1.119 . . . . . . A 91 GLU HB3 . 19635 1 1022 . 1 1 91 91 GLU HG2 H 1 1.934 . . . . . . A 91 GLU HG2 . 19635 1 1023 . 1 1 91 91 GLU HG3 H 1 1.940 . . . . . . A 91 GLU HG3 . 19635 1 1024 . 1 1 91 91 GLU C C 13 174.246 . . . . . . A 91 GLU C . 19635 1 1025 . 1 1 91 91 GLU CA C 13 54.422 . . . . . . A 91 GLU CA . 19635 1 1026 . 1 1 91 91 GLU CB C 13 32.035 . . . . . . A 91 GLU CB . 19635 1 1027 . 1 1 91 91 GLU CG C 13 36.312 . . . . . . A 91 GLU CG . 19635 1 1028 . 1 1 91 91 GLU N N 15 126.760 . . . . . . A 91 GLU N . 19635 1 1029 . 1 1 92 92 VAL H H 1 8.790 . . . . . . A 92 VAL H . 19635 1 1030 . 1 1 92 92 VAL HA H 1 4.385 . . . . . . A 92 VAL HA . 19635 1 1031 . 1 1 92 92 VAL HB H 1 1.805 . . . . . . A 92 VAL HB . 19635 1 1032 . 1 1 92 92 VAL HG11 H 1 0.578 . . . . . . A 92 VAL HG11 . 19635 1 1033 . 1 1 92 92 VAL HG12 H 1 0.578 . . . . . . A 92 VAL HG12 . 19635 1 1034 . 1 1 92 92 VAL HG13 H 1 0.578 . . . . . . A 92 VAL HG13 . 19635 1 1035 . 1 1 92 92 VAL HG21 H 1 0.786 . . . . . . A 92 VAL HG21 . 19635 1 1036 . 1 1 92 92 VAL HG22 H 1 0.786 . . . . . . A 92 VAL HG22 . 19635 1 1037 . 1 1 92 92 VAL HG23 H 1 0.786 . . . . . . A 92 VAL HG23 . 19635 1 1038 . 1 1 92 92 VAL C C 13 174.835 . . . . . . A 92 VAL C . 19635 1 1039 . 1 1 92 92 VAL CA C 13 61.066 . . . . . . A 92 VAL CA . 19635 1 1040 . 1 1 92 92 VAL CB C 13 33.946 . . . . . . A 92 VAL CB . 19635 1 1041 . 1 1 92 92 VAL CG1 C 13 20.546 . . . . . . A 92 VAL CG1 . 19635 1 1042 . 1 1 92 92 VAL CG2 C 13 21.733 . . . . . . A 92 VAL CG2 . 19635 1 1043 . 1 1 92 92 VAL N N 15 122.222 . . . . . . A 92 VAL N . 19635 1 1044 . 1 1 93 93 LEU H H 1 8.980 . . . . . . A 93 LEU H . 19635 1 1045 . 1 1 93 93 LEU HA H 1 4.812 . . . . . . A 93 LEU HA . 19635 1 1046 . 1 1 93 93 LEU HB2 H 1 1.695 . . . . . . A 93 LEU HB2 . 19635 1 1047 . 1 1 93 93 LEU HB3 H 1 1.637 . . . . . . A 93 LEU HB3 . 19635 1 1048 . 1 1 93 93 LEU HG H 1 1.676 . . . . . . A 93 LEU HG . 19635 1 1049 . 1 1 93 93 LEU HD11 H 1 0.984 . . . . . . A 93 LEU HD11 . 19635 1 1050 . 1 1 93 93 LEU HD12 H 1 0.984 . . . . . . A 93 LEU HD12 . 19635 1 1051 . 1 1 93 93 LEU HD13 H 1 0.984 . . . . . . A 93 LEU HD13 . 19635 1 1052 . 1 1 93 93 LEU HD21 H 1 0.988 . . . . . . A 93 LEU HD21 . 19635 1 1053 . 1 1 93 93 LEU HD22 H 1 0.988 . . . . . . A 93 LEU HD22 . 19635 1 1054 . 1 1 93 93 LEU HD23 H 1 0.988 . . . . . . A 93 LEU HD23 . 19635 1 1055 . 1 1 93 93 LEU C C 13 176.540 . . . . . . A 93 LEU C . 19635 1 1056 . 1 1 93 93 LEU CA C 13 53.148 . . . . . . A 93 LEU CA . 19635 1 1057 . 1 1 93 93 LEU CB C 13 43.229 . . . . . . A 93 LEU CB . 19635 1 1058 . 1 1 93 93 LEU CG C 13 27.178 . . . . . . A 93 LEU CG . 19635 1 1059 . 1 1 93 93 LEU CD1 C 13 24.421 . . . . . . A 93 LEU CD1 . 19635 1 1060 . 1 1 93 93 LEU CD2 C 13 25.080 . . . . . . A 93 LEU CD2 . 19635 1 1061 . 1 1 93 93 LEU N N 15 128.617 . . . . . . A 93 LEU N . 19635 1 1062 . 1 1 94 94 GLU H H 1 8.930 . . . . . . A 94 GLU H . 19635 1 1063 . 1 1 94 94 GLU HA H 1 3.821 . . . . . . A 94 GLU HA . 19635 1 1064 . 1 1 94 94 GLU HB2 H 1 2.112 . . . . . . A 94 GLU HB2 . 19635 1 1065 . 1 1 94 94 GLU HB3 H 1 2.013 . . . . . . A 94 GLU HB3 . 19635 1 1066 . 1 1 94 94 GLU HG2 H 1 2.547 . . . . . . A 94 GLU HG2 . 19635 1 1067 . 1 1 94 94 GLU HG3 H 1 2.013 . . . . . . A 94 GLU HG3 . 19635 1 1068 . 1 1 94 94 GLU C C 13 175.408 . . . . . . A 94 GLU C . 19635 1 1069 . 1 1 94 94 GLU CA C 13 57.797 . . . . . . A 94 GLU CA . 19635 1 1070 . 1 1 94 94 GLU CB C 13 29.676 . . . . . . A 94 GLU CB . 19635 1 1071 . 1 1 94 94 GLU CG C 13 38.223 . . . . . . A 94 GLU CG . 19635 1 1072 . 1 1 94 94 GLU N N 15 123.476 . . . . . . A 94 GLU N . 19635 1 1073 . 1 1 95 95 GLY H H 1 7.543 . . . . . . A 95 GLY H . 19635 1 1074 . 1 1 95 95 GLY HA2 H 1 3.753 . . . . . . A 95 GLY HA2 . 19635 1 1075 . 1 1 95 95 GLY HA3 H 1 3.636 . . . . . . A 95 GLY HA3 . 19635 1 1076 . 1 1 95 95 GLY C C 13 178.369 . . . . . . A 95 GLY C . 19635 1 1077 . 1 1 95 95 GLY CA C 13 46.234 . . . . . . A 95 GLY CA . 19635 1 1078 . 1 1 95 95 GLY N N 15 111.698 . . . . . . A 95 GLY N . 19635 1 stop_ save_