data_7383 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7383 _Entry.Title ; NMR Structure of RRM-1 of Yeast NPL3 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-21 _Entry.Accession_date 2007-04-20 _Entry.Last_release_date 2008-05-06 _Entry.Original_release_date 2008-05-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 P. Deka P. . . 7383 2 M. Bucheli M. . . 7383 3 L. Skrisovska L. . . 7383 4 F. Allain F. H. . 7383 5 C. Moore C. . . 7383 6 S. Buratowski S. . . 7383 7 G. Varani G. . . 7383 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MRNA MRNA 7383 NPL3 NPL3 7383 RNA-BINDING RNA-BINDING 7383 RRM RRM 7383 'SR PROTEIN' 'SR PROTEIN' 7383 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7383 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 7383 '15N chemical shifts' 75 7383 '1H chemical shifts' 476 7383 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 . . 2008-05-06 2007-03-21 original author . 7383 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OSQ 'BMRB Entry Tracking System' 7383 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7383 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18022637 _Citation.Full_citation . _Citation.Title 'Structure of the yeast SR protein Npl3 and Interaction with mRNA 3'-end processing signals' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 375 _Citation.Journal_issue 1 _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 136 _Citation.Page_last 150 _Citation.Year 2008 _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 P. Deka P. . . 7383 1 2 M. Bucheli M. . . 7383 1 3 C. Moore C. . . 7383 1 4 S. Buratowski S. . . 7383 1 5 G. Varani G. . . 7383 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7383 _Assembly.ID 1 _Assembly.Name Nucleolar_protein_3 _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 Nucleolar_protein_3 1 $Nucleolar_protein_3 A . yes native no no . . . 7383 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nucleolar_protein_3 _Entity.Sf_category entity _Entity.Sf_framecode Nucleolar_protein_3 _Entity.Entry_ID 7383 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nucleolar_protein_3 _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 ; ELSNTRLFVRPFPLDVQESE LNEIFGPFGPMKEVKILNGF AFVEFEEAESAAKAIEEVHG KSFANQPLEVVYSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'RRM 1 domain (residues 121-194)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 15485 . Npl3_RRM1 . . . . . 100.00 108 100.00 100.00 7.51e-44 . . . . 7383 1 2 no PDB 2JVO . "Segmental Isotope Labeling Of Npl3" . . . . . 100.00 108 100.00 100.00 7.51e-44 . . . . 7383 1 3 no PDB 2OSQ . "Nmr Structure Of Rrm-1 Of Yeast Npl3 Protein" . . . . . 100.00 74 100.00 100.00 1.84e-43 . . . . 7383 1 4 no DBJ GAA22648 . "K7_Npl3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 414 100.00 100.00 4.73e-41 . . . . 7383 1 5 no EMBL CAA46817 . "nucleolar protein [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 6 no EMBL CAA50291 . "Mts1p [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 7 no EMBL CAY78932 . "Npl3p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 8 no GB AAA34818 . "Npl3p [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 9 no GB AAB64865 . "Npl3p: nucleolar RNA processing and export protein [Saccharomyces cerevisiae]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 10 no GB AHY75384 . "Npl3p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 11 no GB EDN60757 . "nuclear shuttling protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 12 no GB EDV07905 . "nucleolar protein NOP3 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 13 no REF NP_010720 . "Npl3p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 14 no SP Q01560 . "RecName: Full=Nucleolar protein 3; AltName: Full=Mitochondrial targeting suppressor 1 protein; AltName: Full=Nuclear polyadenyl" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 15 no TPG DAA12270 . "TPA: mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 414 100.00 100.00 4.99e-41 . . . . 7383 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Complete proteome' SWS-KEYWORD 7383 1 'Mitochondrial targeting suppressor 1 protein' SWS-SYNONYM 7383 1 'Mitochondrial targeting suppressor 1 protein, Nuclear polyadenylated RNA-binding protein 1' . 7383 1 'Nuclear polyadenylated RNA-binding protein 1' SWS-SYNONYM 7383 1 'Nuclear protein' SWS-KEYWORD 7383 1 'Nucleolar protein 3' RCSB_NAME 7383 1 Phosphorylation SWS-KEYWORD 7383 1 Repeat SWS-KEYWORD 7383 1 Ribonucleoprotein SWS-KEYWORD 7383 1 'Ribosome biogenesis' SWS-KEYWORD 7383 1 RNA-binding SWS-KEYWORD 7383 1 'rRNA processing' SWS-KEYWORD 7383 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 7 GLU . 7383 1 2 8 LEU . 7383 1 3 9 SER . 7383 1 4 10 ASN . 7383 1 5 11 THR . 7383 1 6 12 ARG . 7383 1 7 13 LEU . 7383 1 8 14 PHE . 7383 1 9 15 VAL . 7383 1 10 16 ARG . 7383 1 11 17 PRO . 7383 1 12 18 PHE . 7383 1 13 19 PRO . 7383 1 14 20 LEU . 7383 1 15 21 ASP . 7383 1 16 22 VAL . 7383 1 17 23 GLN . 7383 1 18 24 GLU . 7383 1 19 25 SER . 7383 1 20 26 GLU . 7383 1 21 27 LEU . 7383 1 22 28 ASN . 7383 1 23 29 GLU . 7383 1 24 30 ILE . 7383 1 25 31 PHE . 7383 1 26 32 GLY . 7383 1 27 33 PRO . 7383 1 28 34 PHE . 7383 1 29 35 GLY . 7383 1 30 36 PRO . 7383 1 31 37 MET . 7383 1 32 38 LYS . 7383 1 33 39 GLU . 7383 1 34 40 VAL . 7383 1 35 41 LYS . 7383 1 36 42 ILE . 7383 1 37 43 LEU . 7383 1 38 44 ASN . 7383 1 39 45 GLY . 7383 1 40 46 PHE . 7383 1 41 47 ALA . 7383 1 42 48 PHE . 7383 1 43 49 VAL . 7383 1 44 50 GLU . 7383 1 45 51 PHE . 7383 1 46 52 GLU . 7383 1 47 53 GLU . 7383 1 48 54 ALA . 7383 1 49 55 GLU . 7383 1 50 56 SER . 7383 1 51 57 ALA . 7383 1 52 58 ALA . 7383 1 53 59 LYS . 7383 1 54 60 ALA . 7383 1 55 61 ILE . 7383 1 56 62 GLU . 7383 1 57 63 GLU . 7383 1 58 64 VAL . 7383 1 59 65 HIS . 7383 1 60 66 GLY . 7383 1 61 67 LYS . 7383 1 62 68 SER . 7383 1 63 69 PHE . 7383 1 64 70 ALA . 7383 1 65 71 ASN . 7383 1 66 72 GLN . 7383 1 67 73 PRO . 7383 1 68 74 LEU . 7383 1 69 75 GLU . 7383 1 70 76 VAL . 7383 1 71 77 VAL . 7383 1 72 78 TYR . 7383 1 73 79 SER . 7383 1 74 80 LYS . 7383 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 . GLU 1 1 7383 1 . LEU 2 2 7383 1 . SER 3 3 7383 1 . ASN 4 4 7383 1 . THR 5 5 7383 1 . ARG 6 6 7383 1 . LEU 7 7 7383 1 . PHE 8 8 7383 1 . VAL 9 9 7383 1 . ARG 10 10 7383 1 . PRO 11 11 7383 1 . PHE 12 12 7383 1 . PRO 13 13 7383 1 . LEU 14 14 7383 1 . ASP 15 15 7383 1 . VAL 16 16 7383 1 . GLN 17 17 7383 1 . GLU 18 18 7383 1 . SER 19 19 7383 1 . GLU 20 20 7383 1 . LEU 21 21 7383 1 . ASN 22 22 7383 1 . GLU 23 23 7383 1 . ILE 24 24 7383 1 . PHE 25 25 7383 1 . GLY 26 26 7383 1 . PRO 27 27 7383 1 . PHE 28 28 7383 1 . GLY 29 29 7383 1 . PRO 30 30 7383 1 . MET 31 31 7383 1 . LYS 32 32 7383 1 . GLU 33 33 7383 1 . VAL 34 34 7383 1 . LYS 35 35 7383 1 . ILE 36 36 7383 1 . LEU 37 37 7383 1 . ASN 38 38 7383 1 . GLY 39 39 7383 1 . PHE 40 40 7383 1 . ALA 41 41 7383 1 . PHE 42 42 7383 1 . VAL 43 43 7383 1 . GLU 44 44 7383 1 . PHE 45 45 7383 1 . GLU 46 46 7383 1 . GLU 47 47 7383 1 . ALA 48 48 7383 1 . GLU 49 49 7383 1 . SER 50 50 7383 1 . ALA 51 51 7383 1 . ALA 52 52 7383 1 . LYS 53 53 7383 1 . ALA 54 54 7383 1 . ILE 55 55 7383 1 . GLU 56 56 7383 1 . GLU 57 57 7383 1 . VAL 58 58 7383 1 . HIS 59 59 7383 1 . GLY 60 60 7383 1 . LYS 61 61 7383 1 . SER 62 62 7383 1 . PHE 63 63 7383 1 . ALA 64 64 7383 1 . ASN 65 65 7383 1 . GLN 66 66 7383 1 . PRO 67 67 7383 1 . LEU 68 68 7383 1 . GLU 69 69 7383 1 . VAL 70 70 7383 1 . VAL 71 71 7383 1 . TYR 72 72 7383 1 . SER 73 73 7383 1 . LYS 74 74 7383 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 7383 _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 $Nucleolar_protein_3 . 4932 organism . 'Saccharomyces cerevisiae' yeast . . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . 'NOP3, MTS1, NAB1, NPL3' . . . . 7383 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 7383 _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 $Nucleolar_protein_3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . GG . . . . . . . . 7383 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7383 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Nucleolar_protein_3 '[U-99% 13C; U-99%15N]' . . 1 $Nucleolar_protein_3 . . 1.0 0.9 1.1 mM 0.05 . . . 7383 1 2 'Potassium phosphate' . . . . . . . 20 . . mM . . . . 7383 1 3 'potassium chloride' . . . . . . . 20 . . mM . . . . 7383 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7383 _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' . . . 7383 1 pH 6.5 . pH 7383 1 pressure 1 . atm 7383 1 temperature 298 . K 7383 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7383 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'GUNTERT, P. ET AL.' . . 7383 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7383 1 stop_ save_ save_CYANA2 _Software.Sf_category software _Software.Sf_framecode CYANA2 _Software.Entry_ID 7383 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'GUNTERT, P. ET AL.' . . 7383 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7383 2 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 7383 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7383 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 7383 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_750 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 750 _NMR_spectrometer_list.Entry_ID 7383 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 7383 1 2 spectrometer_2 Varian INOVA . 800 . . . 7383 1 3 spectrometer_3 Bruker AVANCE . 750 . . . 7383 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 7383 _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 NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7383 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7383 1 3 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 7383 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 7383 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . 1 $citations . . 1 $citations 7383 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000000 . . . 1 $citations . . 1 $citations 7383 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . 1 $citations . . 1 $citations 7383 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 7383 _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 NOESY . . . 7383 1 2 3D_13C-separated_NOESY . . . 7383 1 3 3D_15N-separated_NOESY . . . 7383 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 8.217 . . . . . . . 7 GLU H . 7383 1 2 . 1 1 1 1 GLU HA H 1 4.240 . . . . . . . 7 GLU HA . 7383 1 3 . 1 1 1 1 GLU HB2 H 1 1.893 . . . . . . . 7 GLU HB2 . 7383 1 4 . 1 1 1 1 GLU HB3 H 1 2.025 . . . . . . . 7 GLU HB3 . 7383 1 5 . 1 1 1 1 GLU HG2 H 1 2.119 . . . . . . . 7 GLU HG2 . 7383 1 6 . 1 1 1 1 GLU HG3 H 1 2.195 . . . . . . . 7 GLU HG3 . 7383 1 7 . 1 1 1 1 GLU C C 13 173.4 . . . . . . . 7 GLU C . 7383 1 8 . 1 1 1 1 GLU CA C 13 56.49 . . . . . . . 7 GLU CA . 7383 1 9 . 1 1 1 1 GLU N N 15 121.9 . . . . . . . 7 GLU N . 7383 1 10 . 1 1 2 2 LEU H H 1 8.022 . . . . . . . 8 LEU H . 7383 1 11 . 1 1 2 2 LEU HA H 1 4.630 . . . . . . . 8 LEU HA . 7383 1 12 . 1 1 2 2 LEU HB2 H 1 1.459 . . . . . . . 8 LEU HB2 . 7383 1 13 . 1 1 2 2 LEU HB3 H 1 1.406 . . . . . . . 8 LEU HB3 . 7383 1 14 . 1 1 2 2 LEU HD11 H 1 0.7425 . . . . . . . 8 LEU HD1 . 7383 1 15 . 1 1 2 2 LEU HD12 H 1 0.7425 . . . . . . . 8 LEU HD1 . 7383 1 16 . 1 1 2 2 LEU HD13 H 1 0.7425 . . . . . . . 8 LEU HD1 . 7383 1 17 . 1 1 2 2 LEU HD21 H 1 0.8745 . . . . . . . 8 LEU HD2 . 7383 1 18 . 1 1 2 2 LEU HD22 H 1 0.8745 . . . . . . . 8 LEU HD2 . 7383 1 19 . 1 1 2 2 LEU HD23 H 1 0.8745 . . . . . . . 8 LEU HD2 . 7383 1 20 . 1 1 2 2 LEU HG H 1 1.556 . . . . . . . 8 LEU HG . 7383 1 21 . 1 1 2 2 LEU C C 13 175.2 . . . . . . . 8 LEU C . 7383 1 22 . 1 1 2 2 LEU CA C 13 54.05 . . . . . . . 8 LEU CA . 7383 1 23 . 1 1 2 2 LEU CB C 13 43.53 . . . . . . . 8 LEU CB . 7383 1 24 . 1 1 2 2 LEU CG C 13 27.16 . . . . . . . 8 LEU CG . 7383 1 25 . 1 1 2 2 LEU N N 15 121.4 . . . . . . . 8 LEU N . 7383 1 26 . 1 1 3 3 SER H H 1 8.446 . . . . . . . 9 SER H . 7383 1 27 . 1 1 3 3 SER HA H 1 4.301 . . . . . . . 9 SER HA . 7383 1 28 . 1 1 3 3 SER HB2 H 1 3.819 . . . . . . . 9 SER HB2 . 7383 1 29 . 1 1 3 3 SER HB3 H 1 3.947 . . . . . . . 9 SER HB3 . 7383 1 30 . 1 1 3 3 SER C C 13 172.1 . . . . . . . 9 SER C . 7383 1 31 . 1 1 3 3 SER CA C 13 57.83 . . . . . . . 9 SER CA . 7383 1 32 . 1 1 3 3 SER CB C 13 63.78 . . . . . . . 9 SER CB . 7383 1 33 . 1 1 3 3 SER N N 15 115.1 . . . . . . . 9 SER N . 7383 1 34 . 1 1 4 4 ASN H H 1 8.163 . . . . . . . 10 ASN H . 7383 1 35 . 1 1 4 4 ASN HA H 1 4.561 . . . . . . . 10 ASN HA . 7383 1 36 . 1 1 4 4 ASN HB2 H 1 2.795 . . . . . . . 10 ASN HB2 . 7383 1 37 . 1 1 4 4 ASN HB3 H 1 2.504 . . . . . . . 10 ASN HB3 . 7383 1 38 . 1 1 4 4 ASN HD21 H 1 6.704 . . . . . . . 10 ASN HD21 . 7383 1 39 . 1 1 4 4 ASN HD22 H 1 7.338 . . . . . . . 10 ASN HD22 . 7383 1 40 . 1 1 4 4 ASN C C 13 173.8 . . . . . . . 10 ASN C . 7383 1 41 . 1 1 4 4 ASN CA C 13 52.70 . . . . . . . 10 ASN CA . 7383 1 42 . 1 1 4 4 ASN CB C 13 38.98 . . . . . . . 10 ASN CB . 7383 1 43 . 1 1 4 4 ASN N N 15 119.2 . . . . . . . 10 ASN N . 7383 1 44 . 1 1 4 4 ASN ND2 N 15 110.3 . . . . . . . 10 ASN ND2 . 7383 1 45 . 1 1 5 5 THR H H 1 8.235 . . . . . . . 11 THR H . 7383 1 46 . 1 1 5 5 THR HA H 1 4.469 . . . . . . . 11 THR HA . 7383 1 47 . 1 1 5 5 THR HB H 1 4.852 . . . . . . . 11 THR HB . 7383 1 48 . 1 1 5 5 THR HG21 H 1 0.9317 . . . . . . . 11 THR HG2 . 7383 1 49 . 1 1 5 5 THR HG22 H 1 0.9317 . . . . . . . 11 THR HG2 . 7383 1 50 . 1 1 5 5 THR HG23 H 1 0.9317 . . . . . . . 11 THR HG2 . 7383 1 51 . 1 1 5 5 THR C C 13 171.5 . . . . . . . 11 THR C . 7383 1 52 . 1 1 5 5 THR CA C 13 61.82 . . . . . . . 11 THR CA . 7383 1 53 . 1 1 5 5 THR CB C 13 70.09 . . . . . . . 11 THR CB . 7383 1 54 . 1 1 5 5 THR N N 15 107.7 . . . . . . . 11 THR N . 7383 1 55 . 1 1 6 6 ARG H H 1 8.442 . . . . . . . 12 ARG H . 7383 1 56 . 1 1 6 6 ARG HA H 1 5.015 . . . . . . . 12 ARG HA . 7383 1 57 . 1 1 6 6 ARG HB2 H 1 1.924 . . . . . . . 12 ARG HB2 . 7383 1 58 . 1 1 6 6 ARG HB3 H 1 1.857 . . . . . . . 12 ARG HB3 . 7383 1 59 . 1 1 6 6 ARG HD2 H 1 2.984 . . . . . . . 12 ARG HD2 . 7383 1 60 . 1 1 6 6 ARG HG2 H 1 1.394 . . . . . . . 12 ARG HG2 . 7383 1 61 . 1 1 6 6 ARG C C 13 172.2 . . . . . . . 12 ARG C . 7383 1 62 . 1 1 6 6 ARG CA C 13 55.69 . . . . . . . 12 ARG CA . 7383 1 63 . 1 1 6 6 ARG CD C 13 43.27 . . . . . . . 12 ARG CD . 7383 1 64 . 1 1 6 6 ARG CG C 13 26.85 . . . . . . . 12 ARG CG . 7383 1 65 . 1 1 6 6 ARG N N 15 125.0 . . . . . . . 12 ARG N . 7383 1 66 . 1 1 7 7 LEU H H 1 9.552 . . . . . . . 13 LEU H . 7383 1 67 . 1 1 7 7 LEU HA H 1 5.149 . . . . . . . 13 LEU HA . 7383 1 68 . 1 1 7 7 LEU HB2 H 1 1.607 . . . . . . . 13 LEU HB2 . 7383 1 69 . 1 1 7 7 LEU HB3 H 1 1.092 . . . . . . . 13 LEU HB3 . 7383 1 70 . 1 1 7 7 LEU HD11 H 1 0.7556 . . . . . . . 13 LEU HD1 . 7383 1 71 . 1 1 7 7 LEU HD12 H 1 0.7556 . . . . . . . 13 LEU HD1 . 7383 1 72 . 1 1 7 7 LEU HD13 H 1 0.7556 . . . . . . . 13 LEU HD1 . 7383 1 73 . 1 1 7 7 LEU HD21 H 1 0.4203 . . . . . . . 13 LEU HD2 . 7383 1 74 . 1 1 7 7 LEU HD22 H 1 0.4203 . . . . . . . 13 LEU HD2 . 7383 1 75 . 1 1 7 7 LEU HD23 H 1 0.4203 . . . . . . . 13 LEU HD2 . 7383 1 76 . 1 1 7 7 LEU HG H 1 1.711 . . . . . . . 13 LEU HG . 7383 1 77 . 1 1 7 7 LEU C C 13 173.5 . . . . . . . 13 LEU C . 7383 1 78 . 1 1 7 7 LEU CA C 13 53.08 . . . . . . . 13 LEU CA . 7383 1 79 . 1 1 7 7 LEU CB C 13 43.89 . . . . . . . 13 LEU CB . 7383 1 80 . 1 1 7 7 LEU CD1 C 13 24.06 . . . . . . . 13 LEU CD1 . 7383 1 81 . 1 1 7 7 LEU CD2 C 13 26.45 . . . . . . . 13 LEU CD2 . 7383 1 82 . 1 1 7 7 LEU CG C 13 26.93 . . . . . . . 13 LEU CG . 7383 1 83 . 1 1 7 7 LEU N N 15 127.2 . . . . . . . 13 LEU N . 7383 1 84 . 1 1 8 8 PHE H H 1 9.412 . . . . . . . 14 PHE H . 7383 1 85 . 1 1 8 8 PHE HA H 1 5.120 . . . . . . . 14 PHE HA . 7383 1 86 . 1 1 8 8 PHE HB2 H 1 2.991 . . . . . . . 14 PHE HB2 . 7383 1 87 . 1 1 8 8 PHE HB3 H 1 2.826 . . . . . . . 14 PHE HB3 . 7383 1 88 . 1 1 8 8 PHE C C 13 172.1 . . . . . . . 14 PHE C . 7383 1 89 . 1 1 8 8 PHE CA C 13 55.68 . . . . . . . 14 PHE CA . 7383 1 90 . 1 1 8 8 PHE CB C 13 41.51 . . . . . . . 14 PHE CB . 7383 1 91 . 1 1 8 8 PHE N N 15 124.6 . . . . . . . 14 PHE N . 7383 1 92 . 1 1 9 9 VAL H H 1 8.663 . . . . . . . 15 VAL H . 7383 1 93 . 1 1 9 9 VAL HA H 1 5.151 . . . . . . . 15 VAL HA . 7383 1 94 . 1 1 9 9 VAL HB H 1 1.876 . . . . . . . 15 VAL HB . 7383 1 95 . 1 1 9 9 VAL HG11 H 1 1.069 . . . . . . . 15 VAL HG1 . 7383 1 96 . 1 1 9 9 VAL HG12 H 1 1.069 . . . . . . . 15 VAL HG1 . 7383 1 97 . 1 1 9 9 VAL HG13 H 1 1.069 . . . . . . . 15 VAL HG1 . 7383 1 98 . 1 1 9 9 VAL HG21 H 1 0.8013 . . . . . . . 15 VAL HG2 . 7383 1 99 . 1 1 9 9 VAL HG22 H 1 0.8013 . . . . . . . 15 VAL HG2 . 7383 1 100 . 1 1 9 9 VAL HG23 H 1 0.8013 . . . . . . . 15 VAL HG2 . 7383 1 101 . 1 1 9 9 VAL C C 13 171.2 . . . . . . . 15 VAL C . 7383 1 102 . 1 1 9 9 VAL CA C 13 60.02 . . . . . . . 15 VAL CA . 7383 1 103 . 1 1 9 9 VAL CB C 13 35.06 . . . . . . . 15 VAL CB . 7383 1 104 . 1 1 9 9 VAL CG1 C 13 23.32 . . . . . . . 15 VAL CG1 . 7383 1 105 . 1 1 9 9 VAL CG2 C 13 21.31 . . . . . . . 15 VAL CG2 . 7383 1 106 . 1 1 9 9 VAL N N 15 127.1 . . . . . . . 15 VAL N . 7383 1 107 . 1 1 10 10 ARG H H 1 8.274 . . . . . . . 16 ARG H . 7383 1 108 . 1 1 10 10 ARG HA H 1 4.458 . . . . . . . 16 ARG HA . 7383 1 109 . 1 1 10 10 ARG HB2 H 1 1.877 . . . . . . . 16 ARG HB2 . 7383 1 110 . 1 1 10 10 ARG HD2 H 1 3.027 . . . . . . . 16 ARG HD2 . 7383 1 111 . 1 1 10 10 ARG CA C 13 53.57 . . . . . . . 16 ARG CA . 7383 1 112 . 1 1 10 10 ARG CB C 13 32.28 . . . . . . . 16 ARG CB . 7383 1 113 . 1 1 10 10 ARG CD C 13 41.85 . . . . . . . 16 ARG CD . 7383 1 114 . 1 1 10 10 ARG N N 15 122.8 . . . . . . . 16 ARG N . 7383 1 115 . 1 1 11 11 PRO HA H 1 4.795 . . . . . . . 17 PRO HA . 7383 1 116 . 1 1 11 11 PRO HB2 H 1 1.920 . . . . . . . 17 PRO HB2 . 7383 1 117 . 1 1 11 11 PRO HB3 H 1 2.127 . . . . . . . 17 PRO HB3 . 7383 1 118 . 1 1 11 11 PRO HD2 H 1 3.528 . . . . . . . 17 PRO HD2 . 7383 1 119 . 1 1 11 11 PRO HG2 H 1 1.854 . . . . . . . 17 PRO HG2 . 7383 1 120 . 1 1 11 11 PRO C C 13 171.6 . . . . . . . 17 PRO C . 7383 1 121 . 1 1 11 11 PRO CA C 13 61.71 . . . . . . . 17 PRO CA . 7383 1 122 . 1 1 11 11 PRO CB C 13 34.71 . . . . . . . 17 PRO CB . 7383 1 123 . 1 1 11 11 PRO CD C 13 50.51 . . . . . . . 17 PRO CD . 7383 1 124 . 1 1 12 12 PHE H H 1 7.367 . . . . . . . 18 PHE H . 7383 1 125 . 1 1 12 12 PHE HA H 1 5.004 . . . . . . . 18 PHE HA . 7383 1 126 . 1 1 12 12 PHE HB2 H 1 2.053 . . . . . . . 18 PHE HB2 . 7383 1 127 . 1 1 12 12 PHE HB3 H 1 2.984 . . . . . . . 18 PHE HB3 . 7383 1 128 . 1 1 12 12 PHE HD1 H 1 6.700 . . . . . . . 18 PHE HD1 . 7383 1 129 . 1 1 12 12 PHE CA C 13 55.68 . . . . . . . 18 PHE CA . 7383 1 130 . 1 1 12 12 PHE CB C 13 43.40 . . . . . . . 18 PHE CB . 7383 1 131 . 1 1 12 12 PHE N N 15 112.9 . . . . . . . 18 PHE N . 7383 1 132 . 1 1 13 13 PRO HA H 1 4.598 . . . . . . . 19 PRO HA . 7383 1 133 . 1 1 13 13 PRO HB2 H 1 2.528 . . . . . . . 19 PRO HB2 . 7383 1 134 . 1 1 13 13 PRO HB3 H 1 2.025 . . . . . . . 19 PRO HB3 . 7383 1 135 . 1 1 13 13 PRO HD2 H 1 3.744 . . . . . . . 19 PRO HD2 . 7383 1 136 . 1 1 13 13 PRO HG2 H 1 2.247 . . . . . . . 19 PRO HG2 . 7383 1 137 . 1 1 13 13 PRO HG3 H 1 2.149 . . . . . . . 19 PRO HG3 . 7383 1 138 . 1 1 13 13 PRO C C 13 176.1 . . . . . . . 19 PRO C . 7383 1 139 . 1 1 13 13 PRO CA C 13 62.18 . . . . . . . 19 PRO CA . 7383 1 140 . 1 1 13 13 PRO CB C 13 32.76 . . . . . . . 19 PRO CB . 7383 1 141 . 1 1 13 13 PRO CG C 13 28.09 . . . . . . . 19 PRO CG . 7383 1 142 . 1 1 14 14 LEU H H 1 8.784 . . . . . . . 20 LEU H . 7383 1 143 . 1 1 14 14 LEU HA H 1 4.161 . . . . . . . 20 LEU HA . 7383 1 144 . 1 1 14 14 LEU HB2 H 1 1.570 . . . . . . . 20 LEU HB2 . 7383 1 145 . 1 1 14 14 LEU HB3 H 1 1.694 . . . . . . . 20 LEU HB3 . 7383 1 146 . 1 1 14 14 LEU HD11 H 1 0.9410 . . . . . . . 20 LEU HD1 . 7383 1 147 . 1 1 14 14 LEU HD12 H 1 0.9410 . . . . . . . 20 LEU HD1 . 7383 1 148 . 1 1 14 14 LEU HD13 H 1 0.9410 . . . . . . . 20 LEU HD1 . 7383 1 149 . 1 1 14 14 LEU HD21 H 1 0.8465 . . . . . . . 20 LEU HD2 . 7383 1 150 . 1 1 14 14 LEU HD22 H 1 0.8465 . . . . . . . 20 LEU HD2 . 7383 1 151 . 1 1 14 14 LEU HD23 H 1 0.8465 . . . . . . . 20 LEU HD2 . 7383 1 152 . 1 1 14 14 LEU HG H 1 1.774 . . . . . . . 20 LEU HG . 7383 1 153 . 1 1 14 14 LEU C C 13 175.7 . . . . . . . 20 LEU C . 7383 1 154 . 1 1 14 14 LEU CA C 13 57.03 . . . . . . . 20 LEU CA . 7383 1 155 . 1 1 14 14 LEU CB C 13 41.19 . . . . . . . 20 LEU CB . 7383 1 156 . 1 1 14 14 LEU CD1 C 13 24.11 . . . . . . . 20 LEU CD1 . 7383 1 157 . 1 1 14 14 LEU CG C 13 27.55 . . . . . . . 20 LEU CG . 7383 1 158 . 1 1 14 14 LEU N N 15 121.9 . . . . . . . 20 LEU N . 7383 1 159 . 1 1 15 15 ASP H H 1 8.198 . . . . . . . 21 ASP H . 7383 1 160 . 1 1 15 15 ASP HA H 1 4.600 . . . . . . . 21 ASP HA . 7383 1 161 . 1 1 15 15 ASP HB2 H 1 2.507 . . . . . . . 21 ASP HB2 . 7383 1 162 . 1 1 15 15 ASP HB3 H 1 2.917 . . . . . . . 21 ASP HB3 . 7383 1 163 . 1 1 15 15 ASP C C 13 174.3 . . . . . . . 21 ASP C . 7383 1 164 . 1 1 15 15 ASP CA C 13 52.61 . . . . . . . 21 ASP CA . 7383 1 165 . 1 1 15 15 ASP CB C 13 39.48 . . . . . . . 21 ASP CB . 7383 1 166 . 1 1 15 15 ASP N N 15 114.9 . . . . . . . 21 ASP N . 7383 1 167 . 1 1 16 16 VAL H H 1 7.016 . . . . . . . 22 VAL H . 7383 1 168 . 1 1 16 16 VAL HA H 1 4.161 . . . . . . . 22 VAL HA . 7383 1 169 . 1 1 16 16 VAL HB H 1 2.018 . . . . . . . 22 VAL HB . 7383 1 170 . 1 1 16 16 VAL HG11 H 1 0.5017 . . . . . . . 22 VAL HG1 . 7383 1 171 . 1 1 16 16 VAL HG12 H 1 0.5017 . . . . . . . 22 VAL HG1 . 7383 1 172 . 1 1 16 16 VAL HG13 H 1 0.5017 . . . . . . . 22 VAL HG1 . 7383 1 173 . 1 1 16 16 VAL HG21 H 1 0.8467 . . . . . . . 22 VAL HG2 . 7383 1 174 . 1 1 16 16 VAL HG22 H 1 0.8467 . . . . . . . 22 VAL HG2 . 7383 1 175 . 1 1 16 16 VAL HG23 H 1 0.8467 . . . . . . . 22 VAL HG2 . 7383 1 176 . 1 1 16 16 VAL C C 13 171.1 . . . . . . . 22 VAL C . 7383 1 177 . 1 1 16 16 VAL CA C 13 62.35 . . . . . . . 22 VAL CA . 7383 1 178 . 1 1 16 16 VAL CB C 13 32.30 . . . . . . . 22 VAL CB . 7383 1 179 . 1 1 16 16 VAL CG1 C 13 20.30 . . . . . . . 22 VAL CG1 . 7383 1 180 . 1 1 16 16 VAL CG2 C 13 22.27 . . . . . . . 22 VAL CG2 . 7383 1 181 . 1 1 16 16 VAL N N 15 121.3 . . . . . . . 22 VAL N . 7383 1 182 . 1 1 17 17 GLN H H 1 8.599 . . . . . . . 23 GLN H . 7383 1 183 . 1 1 17 17 GLN HA H 1 4.602 . . . . . . . 23 GLN HA . 7383 1 184 . 1 1 17 17 GLN HB2 H 1 1.934 . . . . . . . 23 GLN HB2 . 7383 1 185 . 1 1 17 17 GLN HB3 H 1 2.029 . . . . . . . 23 GLN HB3 . 7383 1 186 . 1 1 17 17 GLN HE21 H 1 7.474 . . . . . . . 23 GLN HE21 . 7383 1 187 . 1 1 17 17 GLN HE22 H 1 6.808 . . . . . . . 23 GLN HE22 . 7383 1 188 . 1 1 17 17 GLN HG2 H 1 2.469 . . . . . . . 23 GLN HG2 . 7383 1 189 . 1 1 17 17 GLN HG3 H 1 2.408 . . . . . . . 23 GLN HG3 . 7383 1 190 . 1 1 17 17 GLN C C 13 175.7 . . . . . . . 23 GLN C . 7383 1 191 . 1 1 17 17 GLN CA C 13 53.95 . . . . . . . 23 GLN CA . 7383 1 192 . 1 1 17 17 GLN CG C 13 34.29 . . . . . . . 23 GLN CG . 7383 1 193 . 1 1 17 17 GLN N N 15 124.0 . . . . . . . 23 GLN N . 7383 1 194 . 1 1 17 17 GLN NE2 N 15 114.2 . . . . . . . 23 GLN NE2 . 7383 1 195 . 1 1 18 18 GLU H H 1 9.155 . . . . . . . 24 GLU H . 7383 1 196 . 1 1 18 18 GLU HA H 1 3.563 . . . . . . . 24 GLU HA . 7383 1 197 . 1 1 18 18 GLU HB2 H 1 1.963 . . . . . . . 24 GLU HB2 . 7383 1 198 . 1 1 18 18 GLU HB3 H 1 2.069 . . . . . . . 24 GLU HB3 . 7383 1 199 . 1 1 18 18 GLU HG2 H 1 2.141 . . . . . . . 24 GLU HG2 . 7383 1 200 . 1 1 18 18 GLU HG3 H 1 2.351 . . . . . . . 24 GLU HG3 . 7383 1 201 . 1 1 18 18 GLU C C 13 176.5 . . . . . . . 24 GLU C . 7383 1 202 . 1 1 18 18 GLU CA C 13 60.87 . . . . . . . 24 GLU CA . 7383 1 203 . 1 1 18 18 GLU CB C 13 29.43 . . . . . . . 24 GLU CB . 7383 1 204 . 1 1 18 18 GLU CG C 13 36.37 . . . . . . . 24 GLU CG . 7383 1 205 . 1 1 18 18 GLU N N 15 124.0 . . . . . . . 24 GLU N . 7383 1 206 . 1 1 19 19 SER H H 1 8.657 . . . . . . . 25 SER H . 7383 1 207 . 1 1 19 19 SER HA H 1 4.746 . . . . . . . 25 SER HA . 7383 1 208 . 1 1 19 19 SER HB2 H 1 4.072 . . . . . . . 25 SER HB2 . 7383 1 209 . 1 1 19 19 SER HB3 H 1 3.912 . . . . . . . 25 SER HB3 . 7383 1 210 . 1 1 19 19 SER C C 13 175.0 . . . . . . . 25 SER C . 7383 1 211 . 1 1 19 19 SER CA C 13 61.46 . . . . . . . 25 SER CA . 7383 1 212 . 1 1 19 19 SER CB C 13 61.30 . . . . . . . 25 SER CB . 7383 1 213 . 1 1 19 19 SER N N 15 112.9 . . . . . . . 25 SER N . 7383 1 214 . 1 1 20 20 GLU H H 1 7.278 . . . . . . . 26 GLU H . 7383 1 215 . 1 1 20 20 GLU HA H 1 4.180 . . . . . . . 26 GLU HA . 7383 1 216 . 1 1 20 20 GLU HB2 H 1 1.936 . . . . . . . 26 GLU HB2 . 7383 1 217 . 1 1 20 20 GLU HB3 H 1 2.040 . . . . . . . 26 GLU HB3 . 7383 1 218 . 1 1 20 20 GLU HG2 H 1 2.379 . . . . . . . 26 GLU HG2 . 7383 1 219 . 1 1 20 20 GLU HG3 H 1 2.280 . . . . . . . 26 GLU HG3 . 7383 1 220 . 1 1 20 20 GLU C C 13 177.1 . . . . . . . 26 GLU C . 7383 1 221 . 1 1 20 20 GLU CA C 13 59.17 . . . . . . . 26 GLU CA . 7383 1 222 . 1 1 20 20 GLU N N 15 122.0 . . . . . . . 26 GLU N . 7383 1 223 . 1 1 21 21 LEU H H 1 7.084 . . . . . . . 27 LEU H . 7383 1 224 . 1 1 21 21 LEU HA H 1 4.008 . . . . . . . 27 LEU HA . 7383 1 225 . 1 1 21 21 LEU HB2 H 1 1.399 . . . . . . . 27 LEU HB2 . 7383 1 226 . 1 1 21 21 LEU HB3 H 1 1.659 . . . . . . . 27 LEU HB3 . 7383 1 227 . 1 1 21 21 LEU HD11 H 1 0.138 . . . . . . . 27 LEU HD1 . 7383 1 228 . 1 1 21 21 LEU HD12 H 1 0.138 . . . . . . . 27 LEU HD1 . 7383 1 229 . 1 1 21 21 LEU HD13 H 1 0.138 . . . . . . . 27 LEU HD1 . 7383 1 230 . 1 1 21 21 LEU HD21 H 1 0.03267 . . . . . . . 27 LEU HD2 . 7383 1 231 . 1 1 21 21 LEU HD22 H 1 0.03267 . . . . . . . 27 LEU HD2 . 7383 1 232 . 1 1 21 21 LEU HD23 H 1 0.03267 . . . . . . . 27 LEU HD2 . 7383 1 233 . 1 1 21 21 LEU HG H 1 1.222 . . . . . . . 27 LEU HG . 7383 1 234 . 1 1 21 21 LEU C C 13 177.6 . . . . . . . 27 LEU C . 7383 1 235 . 1 1 21 21 LEU CA C 13 58.12 . . . . . . . 27 LEU CA . 7383 1 236 . 1 1 21 21 LEU CB C 13 41.31 . . . . . . . 27 LEU CB . 7383 1 237 . 1 1 21 21 LEU CD1 C 13 25.17 . . . . . . . 27 LEU CD1 . 7383 1 238 . 1 1 21 21 LEU CD2 C 13 24.35 . . . . . . . 27 LEU CD2 . 7383 1 239 . 1 1 21 21 LEU CG C 13 29.65 . . . . . . . 27 LEU CG . 7383 1 240 . 1 1 21 21 LEU N N 15 120.2 . . . . . . . 27 LEU N . 7383 1 241 . 1 1 22 22 ASN H H 1 8.607 . . . . . . . 28 ASN H . 7383 1 242 . 1 1 22 22 ASN HA H 1 4.299 . . . . . . . 28 ASN HA . 7383 1 243 . 1 1 22 22 ASN HB2 H 1 2.813 . . . . . . . 28 ASN HB2 . 7383 1 244 . 1 1 22 22 ASN HB3 H 1 2.789 . . . . . . . 28 ASN HB3 . 7383 1 245 . 1 1 22 22 ASN HD21 H 1 6.685 . . . . . . . 28 ASN HD21 . 7383 1 246 . 1 1 22 22 ASN HD22 H 1 7.313 . . . . . . . 28 ASN HD22 . 7383 1 247 . 1 1 22 22 ASN C C 13 176.8 . . . . . . . 28 ASN C . 7383 1 248 . 1 1 22 22 ASN CA C 13 56.49 . . . . . . . 28 ASN CA . 7383 1 249 . 1 1 22 22 ASN CB C 13 37.96 . . . . . . . 28 ASN CB . 7383 1 250 . 1 1 22 22 ASN N N 15 119.9 . . . . . . . 28 ASN N . 7383 1 251 . 1 1 22 22 ASN ND2 N 15 108.7 . . . . . . . 28 ASN ND2 . 7383 1 252 . 1 1 23 23 GLU H H 1 7.631 . . . . . . . 29 GLU H . 7383 1 253 . 1 1 23 23 GLU HA H 1 4.007 . . . . . . . 29 GLU HA . 7383 1 254 . 1 1 23 23 GLU HB2 H 1 2.119 . . . . . . . 29 GLU HB2 . 7383 1 255 . 1 1 23 23 GLU HB3 H 1 2.185 . . . . . . . 29 GLU HB3 . 7383 1 256 . 1 1 23 23 GLU HG2 H 1 2.415 . . . . . . . 29 GLU HG2 . 7383 1 257 . 1 1 23 23 GLU HG3 H 1 2.274 . . . . . . . 29 GLU HG3 . 7383 1 258 . 1 1 23 23 GLU C C 13 175.7 . . . . . . . 29 GLU C . 7383 1 259 . 1 1 23 23 GLU CA C 13 59.09 . . . . . . . 29 GLU CA . 7383 1 260 . 1 1 23 23 GLU CB C 13 29.83 . . . . . . . 29 GLU CB . 7383 1 261 . 1 1 23 23 GLU CG C 13 36.26 . . . . . . . 29 GLU CG . 7383 1 262 . 1 1 23 23 GLU N N 15 119.7 . . . . . . . 29 GLU N . 7383 1 263 . 1 1 24 24 ILE H H 1 7.065 . . . . . . . 30 ILE H . 7383 1 264 . 1 1 24 24 ILE HA H 1 3.670 . . . . . . . 30 ILE HA . 7383 1 265 . 1 1 24 24 ILE HB H 1 1.452 . . . . . . . 30 ILE HB . 7383 1 266 . 1 1 24 24 ILE HD11 H 1 0.590 . . . . . . . 30 ILE HD1 . 7383 1 267 . 1 1 24 24 ILE HD12 H 1 0.590 . . . . . . . 30 ILE HD1 . 7383 1 268 . 1 1 24 24 ILE HD13 H 1 0.590 . . . . . . . 30 ILE HD1 . 7383 1 269 . 1 1 24 24 ILE HG12 H 1 0.9505 . . . . . . . 30 ILE HG12 . 7383 1 270 . 1 1 24 24 ILE HG13 H 1 1.055 . . . . . . . 30 ILE HG13 . 7383 1 271 . 1 1 24 24 ILE HG21 H 1 0.065 . . . . . . . 30 ILE HG2 . 7383 1 272 . 1 1 24 24 ILE HG22 H 1 0.065 . . . . . . . 30 ILE HG2 . 7383 1 273 . 1 1 24 24 ILE HG23 H 1 0.065 . . . . . . . 30 ILE HG2 . 7383 1 274 . 1 1 24 24 ILE C C 13 174.6 . . . . . . . 30 ILE C . 7383 1 275 . 1 1 24 24 ILE CA C 13 64.02 . . . . . . . 30 ILE CA . 7383 1 276 . 1 1 24 24 ILE CB C 13 39.69 . . . . . . . 30 ILE CB . 7383 1 277 . 1 1 24 24 ILE CD1 C 13 13.55 . . . . . . . 30 ILE CD1 . 7383 1 278 . 1 1 24 24 ILE CG1 C 13 19.09 . . . . . . . 30 ILE CG1 . 7383 1 279 . 1 1 24 24 ILE CG2 C 13 17.34 . . . . . . . 30 ILE CG2 . 7383 1 280 . 1 1 24 24 ILE N N 15 115.9 . . . . . . . 30 ILE N . 7383 1 281 . 1 1 25 25 PHE H H 1 8.149 . . . . . . . 31 PHE H . 7383 1 282 . 1 1 25 25 PHE HA H 1 4.927 . . . . . . . 31 PHE HA . 7383 1 283 . 1 1 25 25 PHE HB2 H 1 3.561 . . . . . . . 31 PHE HB2 . 7383 1 284 . 1 1 25 25 PHE HB3 H 1 2.775 . . . . . . . 31 PHE HB3 . 7383 1 285 . 1 1 25 25 PHE HZ H 1 7.464 . . . . . . . 31 PHE HZ . 7383 1 286 . 1 1 25 25 PHE C C 13 173.7 . . . . . . . 31 PHE C . 7383 1 287 . 1 1 25 25 PHE CA C 13 61.10 . . . . . . . 31 PHE CA . 7383 1 288 . 1 1 25 25 PHE CB C 13 41.22 . . . . . . . 31 PHE CB . 7383 1 289 . 1 1 25 25 PHE N N 15 113.0 . . . . . . . 31 PHE N . 7383 1 290 . 1 1 26 26 GLY H H 1 8.320 . . . . . . . 32 GLY H . 7383 1 291 . 1 1 26 26 GLY HA2 H 1 4.192 . . . . . . . 32 GLY HA2 . 7383 1 292 . 1 1 26 26 GLY HA3 H 1 4.194 . . . . . . . 32 GLY HA3 . 7383 1 293 . 1 1 26 26 GLY CA C 13 47.96 . . . . . . . 32 GLY CA . 7383 1 294 . 1 1 26 26 GLY N N 15 109.6 . . . . . . . 32 GLY N . 7383 1 295 . 1 1 27 27 PRO HA H 1 4.103 . . . . . . . 33 PRO HA . 7383 1 296 . 1 1 27 27 PRO HB2 H 1 2.012 . . . . . . . 33 PRO HB2 . 7383 1 297 . 1 1 27 27 PRO HB3 H 1 1.669 . . . . . . . 33 PRO HB3 . 7383 1 298 . 1 1 27 27 PRO HD2 H 1 3.500 . . . . . . . 33 PRO HD2 . 7383 1 299 . 1 1 27 27 PRO HD3 H 1 3.021 . . . . . . . 33 PRO HD3 . 7383 1 300 . 1 1 27 27 PRO HG2 H 1 0.5944 . . . . . . . 33 PRO HG2 . 7383 1 301 . 1 1 27 27 PRO C C 13 175.5 . . . . . . . 33 PRO C . 7383 1 302 . 1 1 27 27 PRO CA C 13 64.89 . . . . . . . 33 PRO CA . 7383 1 303 . 1 1 27 27 PRO CB C 13 31.76 . . . . . . . 33 PRO CB . 7383 1 304 . 1 1 27 27 PRO CD C 13 52.18 . . . . . . . 33 PRO CD . 7383 1 305 . 1 1 27 27 PRO CG C 13 31.87 . . . . . . . 33 PRO CG . 7383 1 306 . 1 1 28 28 PHE H H 1 7.547 . . . . . . . 34 PHE H . 7383 1 307 . 1 1 28 28 PHE HA H 1 4.303 . . . . . . . 34 PHE HA . 7383 1 308 . 1 1 28 28 PHE HB2 H 1 2.981 . . . . . . . 34 PHE HB2 . 7383 1 309 . 1 1 28 28 PHE HB3 H 1 3.210 . . . . . . . 34 PHE HB3 . 7383 1 310 . 1 1 28 28 PHE HD1 H 1 7.495 . . . . . . . 34 PHE HD1 . 7383 1 311 . 1 1 28 28 PHE HE1 H 1 7.673 . . . . . . . 34 PHE HE1 . 7383 1 312 . 1 1 28 28 PHE HZ H 1 7.336 . . . . . . . 34 PHE HZ . 7383 1 313 . 1 1 28 28 PHE C C 13 173.9 . . . . . . . 34 PHE C . 7383 1 314 . 1 1 28 28 PHE CA C 13 59.83 . . . . . . . 34 PHE CA . 7383 1 315 . 1 1 28 28 PHE CB C 13 38.33 . . . . . . . 34 PHE CB . 7383 1 316 . 1 1 28 28 PHE N N 15 112.5 . . . . . . . 34 PHE N . 7383 1 317 . 1 1 29 29 GLY H H 1 7.753 . . . . . . . 35 GLY H . 7383 1 318 . 1 1 29 29 GLY HA2 H 1 3.993 . . . . . . . 35 GLY HA2 . 7383 1 319 . 1 1 29 29 GLY HA3 H 1 4.690 . . . . . . . 35 GLY HA3 . 7383 1 320 . 1 1 29 29 GLY CA C 13 44.95 . . . . . . . 35 GLY CA . 7383 1 321 . 1 1 29 29 GLY N N 15 108.8 . . . . . . . 35 GLY N . 7383 1 322 . 1 1 30 30 PRO HA H 1 4.445 . . . . . . . 36 PRO HA . 7383 1 323 . 1 1 30 30 PRO HB2 H 1 1.881 . . . . . . . 36 PRO HB2 . 7383 1 324 . 1 1 30 30 PRO HB3 H 1 2.325 . . . . . . . 36 PRO HB3 . 7383 1 325 . 1 1 30 30 PRO HD2 H 1 3.221 . . . . . . . 36 PRO HD2 . 7383 1 326 . 1 1 30 30 PRO HD3 H 1 3.761 . . . . . . . 36 PRO HD3 . 7383 1 327 . 1 1 30 30 PRO HG2 H 1 2.176 . . . . . . . 36 PRO HG2 . 7383 1 328 . 1 1 30 30 PRO C C 13 176.1 . . . . . . . 36 PRO C . 7383 1 329 . 1 1 30 30 PRO CA C 13 63.49 . . . . . . . 36 PRO CA . 7383 1 330 . 1 1 30 30 PRO CB C 13 32.39 . . . . . . . 36 PRO CB . 7383 1 331 . 1 1 30 30 PRO CD C 13 50.12 . . . . . . . 36 PRO CD . 7383 1 332 . 1 1 31 31 MET H H 1 9.162 . . . . . . . 37 MET H . 7383 1 333 . 1 1 31 31 MET HA H 1 4.497 . . . . . . . 37 MET HA . 7383 1 334 . 1 1 31 31 MET HB2 H 1 1.504 . . . . . . . 37 MET HB2 . 7383 1 335 . 1 1 31 31 MET HB3 H 1 1.836 . . . . . . . 37 MET HB3 . 7383 1 336 . 1 1 31 31 MET HG2 H 1 1.419 . . . . . . . 37 MET HG2 . 7383 1 337 . 1 1 31 31 MET HG3 H 1 2.505 . . . . . . . 37 MET HG3 . 7383 1 338 . 1 1 31 31 MET C C 13 173.4 . . . . . . . 37 MET C . 7383 1 339 . 1 1 31 31 MET CA C 13 55.70 . . . . . . . 37 MET CA . 7383 1 340 . 1 1 31 31 MET CB C 13 35.10 . . . . . . . 37 MET CB . 7383 1 341 . 1 1 31 31 MET CG C 13 32.11 . . . . . . . 37 MET CG . 7383 1 342 . 1 1 31 31 MET N N 15 124.6 . . . . . . . 37 MET N . 7383 1 343 . 1 1 32 32 LYS H H 1 8.910 . . . . . . . 38 LYS H . 7383 1 344 . 1 1 32 32 LYS HA H 1 4.274 . . . . . . . 38 LYS HA . 7383 1 345 . 1 1 32 32 LYS HB2 H 1 1.360 . . . . . . . 38 LYS HB2 . 7383 1 346 . 1 1 32 32 LYS HB3 H 1 1.348 . . . . . . . 38 LYS HB3 . 7383 1 347 . 1 1 32 32 LYS HD2 H 1 1.521 . . . . . . . 38 LYS HD2 . 7383 1 348 . 1 1 32 32 LYS HE2 H 1 2.854 . . . . . . . 38 LYS HE2 . 7383 1 349 . 1 1 32 32 LYS C C 13 174.3 . . . . . . . 38 LYS C . 7383 1 350 . 1 1 32 32 LYS CA C 13 57.24 . . . . . . . 38 LYS CA . 7383 1 351 . 1 1 32 32 LYS CB C 13 34.68 . . . . . . . 38 LYS CB . 7383 1 352 . 1 1 32 32 LYS CD C 13 29.34 . . . . . . . 38 LYS CD . 7383 1 353 . 1 1 32 32 LYS CE C 13 41.70 . . . . . . . 38 LYS CE . 7383 1 354 . 1 1 32 32 LYS N N 15 123.9 . . . . . . . 38 LYS N . 7383 1 355 . 1 1 33 33 GLU H H 1 7.415 . . . . . . . 39 GLU H . 7383 1 356 . 1 1 33 33 GLU HA H 1 4.412 . . . . . . . 39 GLU HA . 7383 1 357 . 1 1 33 33 GLU HB2 H 1 2.047 . . . . . . . 39 GLU HB2 . 7383 1 358 . 1 1 33 33 GLU HB3 H 1 1.856 . . . . . . . 39 GLU HB3 . 7383 1 359 . 1 1 33 33 GLU HG2 H 1 1.869 . . . . . . . 39 GLU HG2 . 7383 1 360 . 1 1 33 33 GLU C C 13 171.2 . . . . . . . 39 GLU C . 7383 1 361 . 1 1 33 33 GLU CA C 13 56.41 . . . . . . . 39 GLU CA . 7383 1 362 . 1 1 33 33 GLU CB C 13 33.48 . . . . . . . 39 GLU CB . 7383 1 363 . 1 1 33 33 GLU CG C 13 36.36 . . . . . . . 39 GLU CG . 7383 1 364 . 1 1 33 33 GLU N N 15 115.0 . . . . . . . 39 GLU N . 7383 1 365 . 1 1 34 34 VAL H H 1 8.322 . . . . . . . 40 VAL H . 7383 1 366 . 1 1 34 34 VAL HA H 1 4.509 . . . . . . . 40 VAL HA . 7383 1 367 . 1 1 34 34 VAL HB H 1 1.835 . . . . . . . 40 VAL HB . 7383 1 368 . 1 1 34 34 VAL HG11 H 1 0.6810 . . . . . . . 40 VAL HG1 . 7383 1 369 . 1 1 34 34 VAL HG12 H 1 0.6810 . . . . . . . 40 VAL HG1 . 7383 1 370 . 1 1 34 34 VAL HG13 H 1 0.6810 . . . . . . . 40 VAL HG1 . 7383 1 371 . 1 1 34 34 VAL HG21 H 1 0.8173 . . . . . . . 40 VAL HG2 . 7383 1 372 . 1 1 34 34 VAL HG22 H 1 0.8173 . . . . . . . 40 VAL HG2 . 7383 1 373 . 1 1 34 34 VAL HG23 H 1 0.8173 . . . . . . . 40 VAL HG2 . 7383 1 374 . 1 1 34 34 VAL C C 13 172.5 . . . . . . . 40 VAL C . 7383 1 375 . 1 1 34 34 VAL CA C 13 61.63 . . . . . . . 40 VAL CA . 7383 1 376 . 1 1 34 34 VAL CB C 13 34.71 . . . . . . . 40 VAL CB . 7383 1 377 . 1 1 34 34 VAL N N 15 124.2 . . . . . . . 40 VAL N . 7383 1 378 . 1 1 35 35 LYS H H 1 9.084 . . . . . . . 41 LYS H . 7383 1 379 . 1 1 35 35 LYS HA H 1 4.658 . . . . . . . 41 LYS HA . 7383 1 380 . 1 1 35 35 LYS HB2 H 1 1.855 . . . . . . . 41 LYS HB2 . 7383 1 381 . 1 1 35 35 LYS HD2 H 1 1.642 . . . . . . . 41 LYS HD2 . 7383 1 382 . 1 1 35 35 LYS HE2 H 1 2.902 . . . . . . . 41 LYS HE2 . 7383 1 383 . 1 1 35 35 LYS HE3 H 1 2.856 . . . . . . . 41 LYS HE3 . 7383 1 384 . 1 1 35 35 LYS HG2 H 1 1.349 . . . . . . . 41 LYS HG2 . 7383 1 385 . 1 1 35 35 LYS HG3 H 1 1.316 . . . . . . . 41 LYS HG3 . 7383 1 386 . 1 1 35 35 LYS C C 13 172.2 . . . . . . . 41 LYS C . 7383 1 387 . 1 1 35 35 LYS CA C 13 54.34 . . . . . . . 41 LYS CA . 7383 1 388 . 1 1 35 35 LYS CB C 13 35.59 . . . . . . . 41 LYS CB . 7383 1 389 . 1 1 35 35 LYS CD C 13 29.29 . . . . . . . 41 LYS CD . 7383 1 390 . 1 1 35 35 LYS CE C 13 42.20 . . . . . . . 41 LYS CE . 7383 1 391 . 1 1 35 35 LYS N N 15 128.0 . . . . . . . 41 LYS N . 7383 1 392 . 1 1 36 36 ILE H H 1 8.837 . . . . . . . 42 ILE H . 7383 1 393 . 1 1 36 36 ILE HA H 1 3.914 . . . . . . . 42 ILE HA . 7383 1 394 . 1 1 36 36 ILE HB H 1 1.626 . . . . . . . 42 ILE HB . 7383 1 395 . 1 1 36 36 ILE HD11 H 1 0.516 . . . . . . . 42 ILE HD1 . 7383 1 396 . 1 1 36 36 ILE HD12 H 1 0.516 . . . . . . . 42 ILE HD1 . 7383 1 397 . 1 1 36 36 ILE HD13 H 1 0.516 . . . . . . . 42 ILE HD1 . 7383 1 398 . 1 1 36 36 ILE HG12 H 1 1.325 . . . . . . . 42 ILE HG12 . 7383 1 399 . 1 1 36 36 ILE HG13 H 1 0.3867 . . . . . . . 42 ILE HG13 . 7383 1 400 . 1 1 36 36 ILE HG21 H 1 0.6835 . . . . . . . 42 ILE HG2 . 7383 1 401 . 1 1 36 36 ILE HG22 H 1 0.6835 . . . . . . . 42 ILE HG2 . 7383 1 402 . 1 1 36 36 ILE HG23 H 1 0.6835 . . . . . . . 42 ILE HG2 . 7383 1 403 . 1 1 36 36 ILE C C 13 173.5 . . . . . . . 42 ILE C . 7383 1 404 . 1 1 36 36 ILE CA C 13 61.97 . . . . . . . 42 ILE CA . 7383 1 405 . 1 1 36 36 ILE CB C 13 38.68 . . . . . . . 42 ILE CB . 7383 1 406 . 1 1 36 36 ILE CD1 C 13 13.86 . . . . . . . 42 ILE CD1 . 7383 1 407 . 1 1 36 36 ILE CG1 C 13 28.55 . . . . . . . 42 ILE CG1 . 7383 1 408 . 1 1 36 36 ILE CG2 C 13 17.47 . . . . . . . 42 ILE CG2 . 7383 1 409 . 1 1 36 36 ILE N N 15 126.6 . . . . . . . 42 ILE N . 7383 1 410 . 1 1 37 37 LEU H H 1 8.253 . . . . . . . 43 LEU H . 7383 1 411 . 1 1 37 37 LEU HA H 1 4.572 . . . . . . . 43 LEU HA . 7383 1 412 . 1 1 37 37 LEU HB2 H 1 0.2780 . . . . . . . 43 LEU HB2 . 7383 1 413 . 1 1 37 37 LEU HB3 H 1 1.249 . . . . . . . 43 LEU HB3 . 7383 1 414 . 1 1 37 37 LEU HD11 H 1 0.915 . . . . . . . 43 LEU HD1 . 7383 1 415 . 1 1 37 37 LEU HD12 H 1 0.915 . . . . . . . 43 LEU HD1 . 7383 1 416 . 1 1 37 37 LEU HD13 H 1 0.915 . . . . . . . 43 LEU HD1 . 7383 1 417 . 1 1 37 37 LEU HD21 H 1 0.915 . . . . . . . 43 LEU HD2 . 7383 1 418 . 1 1 37 37 LEU HD22 H 1 0.915 . . . . . . . 43 LEU HD2 . 7383 1 419 . 1 1 37 37 LEU HD23 H 1 0.915 . . . . . . . 43 LEU HD2 . 7383 1 420 . 1 1 37 37 LEU HG H 1 1.438 . . . . . . . 43 LEU HG . 7383 1 421 . 1 1 37 37 LEU C C 13 172.8 . . . . . . . 43 LEU C . 7383 1 422 . 1 1 37 37 LEU CA C 13 53.82 . . . . . . . 43 LEU CA . 7383 1 423 . 1 1 37 37 LEU CB C 13 40.35 . . . . . . . 43 LEU CB . 7383 1 424 . 1 1 37 37 LEU CD1 C 13 25.14 . . . . . . . 43 LEU CD1 . 7383 1 425 . 1 1 37 37 LEU CD2 C 13 25.12 . . . . . . . 43 LEU CD2 . 7383 1 426 . 1 1 37 37 LEU CG C 13 27.95 . . . . . . . 43 LEU CG . 7383 1 427 . 1 1 37 37 LEU N N 15 132.2 . . . . . . . 43 LEU N . 7383 1 428 . 1 1 38 38 ASN H H 1 7.639 . . . . . . . 44 ASN H . 7383 1 429 . 1 1 38 38 ASN HA H 1 4.679 . . . . . . . 44 ASN HA . 7383 1 430 . 1 1 38 38 ASN HB2 H 1 2.652 . . . . . . . 44 ASN HB2 . 7383 1 431 . 1 1 38 38 ASN HB3 H 1 2.772 . . . . . . . 44 ASN HB3 . 7383 1 432 . 1 1 38 38 ASN HD21 H 1 6.866 . . . . . . . 44 ASN HD21 . 7383 1 433 . 1 1 38 38 ASN HD22 H 1 7.574 . . . . . . . 44 ASN HD22 . 7383 1 434 . 1 1 38 38 ASN C C 13 172.1 . . . . . . . 44 ASN C . 7383 1 435 . 1 1 38 38 ASN CA C 13 53.02 . . . . . . . 44 ASN CA . 7383 1 436 . 1 1 38 38 ASN CB C 13 36.92 . . . . . . . 44 ASN CB . 7383 1 437 . 1 1 38 38 ASN N N 15 117.6 . . . . . . . 44 ASN N . 7383 1 438 . 1 1 38 38 ASN ND2 N 15 112.2 . . . . . . . 44 ASN ND2 . 7383 1 439 . 1 1 39 39 GLY H H 1 8.730 . . . . . . . 45 GLY H . 7383 1 440 . 1 1 39 39 GLY HA2 H 1 4.155 . . . . . . . 45 GLY HA2 . 7383 1 441 . 1 1 39 39 GLY HA3 H 1 4.348 . . . . . . . 45 GLY HA3 . 7383 1 442 . 1 1 39 39 GLY C C 13 172.6 . . . . . . . 45 GLY C . 7383 1 443 . 1 1 39 39 GLY CA C 13 45.27 . . . . . . . 45 GLY CA . 7383 1 444 . 1 1 39 39 GLY N N 15 111.3 . . . . . . . 45 GLY N . 7383 1 445 . 1 1 40 40 PHE H H 1 7.350 . . . . . . . 46 PHE H . 7383 1 446 . 1 1 40 40 PHE HA H 1 5.186 . . . . . . . 46 PHE HA . 7383 1 447 . 1 1 40 40 PHE HB2 H 1 3.054 . . . . . . . 46 PHE HB2 . 7383 1 448 . 1 1 40 40 PHE HB3 H 1 2.871 . . . . . . . 46 PHE HB3 . 7383 1 449 . 1 1 40 40 PHE HD1 H 1 6.772 . . . . . . . 46 PHE HD1 . 7383 1 450 . 1 1 40 40 PHE HE1 H 1 7.283 . . . . . . . 46 PHE HE1 . 7383 1 451 . 1 1 40 40 PHE HZ H 1 7.365 . . . . . . . 46 PHE HZ . 7383 1 452 . 1 1 40 40 PHE C C 13 169.1 . . . . . . . 46 PHE C . 7383 1 453 . 1 1 40 40 PHE CA C 13 55.09 . . . . . . . 46 PHE CA . 7383 1 454 . 1 1 40 40 PHE CB C 13 41.45 . . . . . . . 46 PHE CB . 7383 1 455 . 1 1 40 40 PHE N N 15 116.5 . . . . . . . 46 PHE N . 7383 1 456 . 1 1 41 41 ALA H H 1 9.429 . . . . . . . 47 ALA H . 7383 1 457 . 1 1 41 41 ALA HA H 1 5.126 . . . . . . . 47 ALA HA . 7383 1 458 . 1 1 41 41 ALA HB1 H 1 0.9276 . . . . . . . 47 ALA HB . 7383 1 459 . 1 1 41 41 ALA HB2 H 1 0.9276 . . . . . . . 47 ALA HB . 7383 1 460 . 1 1 41 41 ALA HB3 H 1 0.9276 . . . . . . . 47 ALA HB . 7383 1 461 . 1 1 41 41 ALA C C 13 172.9 . . . . . . . 47 ALA C . 7383 1 462 . 1 1 41 41 ALA CA C 13 50.35 . . . . . . . 47 ALA CA . 7383 1 463 . 1 1 41 41 ALA CB C 13 24.79 . . . . . . . 47 ALA CB . 7383 1 464 . 1 1 41 41 ALA N N 15 120.6 . . . . . . . 47 ALA N . 7383 1 465 . 1 1 42 42 PHE H H 1 8.850 . . . . . . . 48 PHE H . 7383 1 466 . 1 1 42 42 PHE HA H 1 5.896 . . . . . . . 48 PHE HA . 7383 1 467 . 1 1 42 42 PHE HB2 H 1 2.834 . . . . . . . 48 PHE HB2 . 7383 1 468 . 1 1 42 42 PHE HB3 H 1 2.671 . . . . . . . 48 PHE HB3 . 7383 1 469 . 1 1 42 42 PHE HD1 H 1 7.217 . . . . . . . 48 PHE HD1 . 7383 1 470 . 1 1 42 42 PHE HE1 H 1 7.442 . . . . . . . 48 PHE HE1 . 7383 1 471 . 1 1 42 42 PHE HZ H 1 6.763 . . . . . . . 48 PHE HZ . 7383 1 472 . 1 1 42 42 PHE C C 13 173.5 . . . . . . . 48 PHE C . 7383 1 473 . 1 1 42 42 PHE CA C 13 56.28 . . . . . . . 48 PHE CA . 7383 1 474 . 1 1 42 42 PHE CB C 13 42.44 . . . . . . . 48 PHE CB . 7383 1 475 . 1 1 42 42 PHE N N 15 115.7 . . . . . . . 48 PHE N . 7383 1 476 . 1 1 43 43 VAL H H 1 8.542 . . . . . . . 49 VAL H . 7383 1 477 . 1 1 43 43 VAL HA H 1 4.314 . . . . . . . 49 VAL HA . 7383 1 478 . 1 1 43 43 VAL HB H 1 1.237 . . . . . . . 49 VAL HB . 7383 1 479 . 1 1 43 43 VAL HG11 H 1 0.02510 . . . . . . . 49 VAL HG1 . 7383 1 480 . 1 1 43 43 VAL HG12 H 1 0.02510 . . . . . . . 49 VAL HG1 . 7383 1 481 . 1 1 43 43 VAL HG13 H 1 0.02510 . . . . . . . 49 VAL HG1 . 7383 1 482 . 1 1 43 43 VAL HG21 H 1 0.1291 . . . . . . . 49 VAL HG2 . 7383 1 483 . 1 1 43 43 VAL HG22 H 1 0.1291 . . . . . . . 49 VAL HG2 . 7383 1 484 . 1 1 43 43 VAL HG23 H 1 0.1291 . . . . . . . 49 VAL HG2 . 7383 1 485 . 1 1 43 43 VAL C C 13 171.6 . . . . . . . 49 VAL C . 7383 1 486 . 1 1 43 43 VAL CA C 13 60.49 . . . . . . . 49 VAL CA . 7383 1 487 . 1 1 43 43 VAL CB C 13 35.16 . . . . . . . 49 VAL CB . 7383 1 488 . 1 1 43 43 VAL CG1 C 13 20.34 . . . . . . . 49 VAL CG1 . 7383 1 489 . 1 1 43 43 VAL CG2 C 13 19.87 . . . . . . . 49 VAL CG2 . 7383 1 490 . 1 1 43 43 VAL N N 15 120.7 . . . . . . . 49 VAL N . 7383 1 491 . 1 1 44 44 GLU H H 1 9.013 . . . . . . . 50 GLU H . 7383 1 492 . 1 1 44 44 GLU HA H 1 5.374 . . . . . . . 50 GLU HA . 7383 1 493 . 1 1 44 44 GLU HB2 H 1 1.854 . . . . . . . 50 GLU HB2 . 7383 1 494 . 1 1 44 44 GLU HB3 H 1 1.892 . . . . . . . 50 GLU HB3 . 7383 1 495 . 1 1 44 44 GLU HG2 H 1 2.161 . . . . . . . 50 GLU HG2 . 7383 1 496 . 1 1 44 44 GLU HG3 H 1 2.024 . . . . . . . 50 GLU HG3 . 7383 1 497 . 1 1 44 44 GLU C C 13 174.0 . . . . . . . 50 GLU C . 7383 1 498 . 1 1 44 44 GLU CA C 13 54.01 . . . . . . . 50 GLU CA . 7383 1 499 . 1 1 44 44 GLU N N 15 126.6 . . . . . . . 50 GLU N . 7383 1 500 . 1 1 45 45 PHE H H 1 8.553 . . . . . . . 51 PHE H . 7383 1 501 . 1 1 45 45 PHE HA H 1 4.679 . . . . . . . 51 PHE HA . 7383 1 502 . 1 1 45 45 PHE HB2 H 1 3.755 . . . . . . . 51 PHE HB2 . 7383 1 503 . 1 1 45 45 PHE HB3 H 1 2.669 . . . . . . . 51 PHE HB3 . 7383 1 504 . 1 1 45 45 PHE HD1 H 1 7.080 . . . . . . . 51 PHE HD1 . 7383 1 505 . 1 1 45 45 PHE C C 13 172.9 . . . . . . . 51 PHE C . 7383 1 506 . 1 1 45 45 PHE CA C 13 59.26 . . . . . . . 51 PHE CA . 7383 1 507 . 1 1 45 45 PHE N N 15 127.1 . . . . . . . 51 PHE N . 7383 1 508 . 1 1 46 46 GLU H H 1 8.129 . . . . . . . 52 GLU H . 7383 1 509 . 1 1 46 46 GLU HA H 1 4.056 . . . . . . . 52 GLU HA . 7383 1 510 . 1 1 46 46 GLU HB2 H 1 1.907 . . . . . . . 52 GLU HB2 . 7383 1 511 . 1 1 46 46 GLU HB3 H 1 2.025 . . . . . . . 52 GLU HB3 . 7383 1 512 . 1 1 46 46 GLU HG2 H 1 2.165 . . . . . . . 52 GLU HG2 . 7383 1 513 . 1 1 46 46 GLU HG3 H 1 2.319 . . . . . . . 52 GLU HG3 . 7383 1 514 . 1 1 46 46 GLU C C 13 174.9 . . . . . . . 52 GLU C . 7383 1 515 . 1 1 46 46 GLU CA C 13 59.47 . . . . . . . 52 GLU CA . 7383 1 516 . 1 1 46 46 GLU CB C 13 30.79 . . . . . . . 52 GLU CB . 7383 1 517 . 1 1 46 46 GLU N N 15 117.7 . . . . . . . 52 GLU N . 7383 1 518 . 1 1 47 47 GLU H H 1 8.598 . . . . . . . 53 GLU H . 7383 1 519 . 1 1 47 47 GLU HA H 1 4.746 . . . . . . . 53 GLU HA . 7383 1 520 . 1 1 47 47 GLU HB2 H 1 2.318 . . . . . . . 53 GLU HB2 . 7383 1 521 . 1 1 47 47 GLU HB3 H 1 1.994 . . . . . . . 53 GLU HB3 . 7383 1 522 . 1 1 47 47 GLU HG2 H 1 2.349 . . . . . . . 53 GLU HG2 . 7383 1 523 . 1 1 47 47 GLU C C 13 175.0 . . . . . . . 53 GLU C . 7383 1 524 . 1 1 47 47 GLU CA C 13 54.23 . . . . . . . 53 GLU CA . 7383 1 525 . 1 1 47 47 GLU CG C 13 36.18 . . . . . . . 53 GLU CG . 7383 1 526 . 1 1 47 47 GLU N N 15 114.5 . . . . . . . 53 GLU N . 7383 1 527 . 1 1 48 48 ALA H H 1 8.936 . . . . . . . 54 ALA H . 7383 1 528 . 1 1 48 48 ALA HA H 1 4.150 . . . . . . . 54 ALA HA . 7383 1 529 . 1 1 48 48 ALA HB1 H 1 1.360 . . . . . . . 54 ALA HB . 7383 1 530 . 1 1 48 48 ALA HB2 H 1 1.360 . . . . . . . 54 ALA HB . 7383 1 531 . 1 1 48 48 ALA HB3 H 1 1.360 . . . . . . . 54 ALA HB . 7383 1 532 . 1 1 48 48 ALA C C 13 178.9 . . . . . . . 54 ALA C . 7383 1 533 . 1 1 48 48 ALA CA C 13 54.86 . . . . . . . 54 ALA CA . 7383 1 534 . 1 1 48 48 ALA CB C 13 18.46 . . . . . . . 54 ALA CB . 7383 1 535 . 1 1 48 48 ALA N N 15 126.9 . . . . . . . 54 ALA N . 7383 1 536 . 1 1 49 49 GLU H H 1 9.427 . . . . . . . 55 GLU H . 7383 1 537 . 1 1 49 49 GLU HA H 1 4.058 . . . . . . . 55 GLU HA . 7383 1 538 . 1 1 49 49 GLU HB2 H 1 1.994 . . . . . . . 55 GLU HB2 . 7383 1 539 . 1 1 49 49 GLU HB3 H 1 2.123 . . . . . . . 55 GLU HB3 . 7383 1 540 . 1 1 49 49 GLU HG2 H 1 2.309 . . . . . . . 55 GLU HG2 . 7383 1 541 . 1 1 49 49 GLU HG3 H 1 2.370 . . . . . . . 55 GLU HG3 . 7383 1 542 . 1 1 49 49 GLU C C 13 177.1 . . . . . . . 55 GLU C . 7383 1 543 . 1 1 49 49 GLU CA C 13 60.18 . . . . . . . 55 GLU CA . 7383 1 544 . 1 1 49 49 GLU CB C 13 29.30 . . . . . . . 55 GLU CB . 7383 1 545 . 1 1 49 49 GLU N N 15 118.9 . . . . . . . 55 GLU N . 7383 1 546 . 1 1 50 50 SER H H 1 7.090 . . . . . . . 56 SER H . 7383 1 547 . 1 1 50 50 SER HA H 1 4.018 . . . . . . . 56 SER HA . 7383 1 548 . 1 1 50 50 SER HB2 H 1 2.842 . . . . . . . 56 SER HB2 . 7383 1 549 . 1 1 50 50 SER HB3 H 1 3.608 . . . . . . . 56 SER HB3 . 7383 1 550 . 1 1 50 50 SER C C 13 171.9 . . . . . . . 56 SER C . 7383 1 551 . 1 1 50 50 SER CA C 13 61.84 . . . . . . . 56 SER CA . 7383 1 552 . 1 1 50 50 SER CB C 13 62.94 . . . . . . . 56 SER CB . 7383 1 553 . 1 1 50 50 SER N N 15 114.4 . . . . . . . 56 SER N . 7383 1 554 . 1 1 51 51 ALA H H 1 6.681 . . . . . . . 57 ALA H . 7383 1 555 . 1 1 51 51 ALA HA H 1 3.636 . . . . . . . 57 ALA HA . 7383 1 556 . 1 1 51 51 ALA HB1 H 1 1.642 . . . . . . . 57 ALA HB . 7383 1 557 . 1 1 51 51 ALA HB2 H 1 1.642 . . . . . . . 57 ALA HB . 7383 1 558 . 1 1 51 51 ALA HB3 H 1 1.642 . . . . . . . 57 ALA HB . 7383 1 559 . 1 1 51 51 ALA C C 13 175.9 . . . . . . . 57 ALA C . 7383 1 560 . 1 1 51 51 ALA CA C 13 54.97 . . . . . . . 57 ALA CA . 7383 1 561 . 1 1 51 51 ALA CB C 13 18.12 . . . . . . . 57 ALA CB . 7383 1 562 . 1 1 51 51 ALA N N 15 121.6 . . . . . . . 57 ALA N . 7383 1 563 . 1 1 52 52 ALA H H 1 7.742 . . . . . . . 58 ALA H . 7383 1 564 . 1 1 52 52 ALA HA H 1 4.008 . . . . . . . 58 ALA HA . 7383 1 565 . 1 1 52 52 ALA HB1 H 1 1.449 . . . . . . . 58 ALA HB . 7383 1 566 . 1 1 52 52 ALA HB2 H 1 1.449 . . . . . . . 58 ALA HB . 7383 1 567 . 1 1 52 52 ALA HB3 H 1 1.449 . . . . . . . 58 ALA HB . 7383 1 568 . 1 1 52 52 ALA C C 13 172.3 . . . . . . . 58 ALA C . 7383 1 569 . 1 1 52 52 ALA CA C 13 54.85 . . . . . . . 58 ALA CA . 7383 1 570 . 1 1 52 52 ALA CB C 13 18.10 . . . . . . . 58 ALA CB . 7383 1 571 . 1 1 52 52 ALA N N 15 117.7 . . . . . . . 58 ALA N . 7383 1 572 . 1 1 53 53 LYS H H 1 7.558 . . . . . . . 59 LYS H . 7383 1 573 . 1 1 53 53 LYS HA H 1 3.969 . . . . . . . 59 LYS HA . 7383 1 574 . 1 1 53 53 LYS HB2 H 1 1.912 . . . . . . . 59 LYS HB2 . 7383 1 575 . 1 1 53 53 LYS HD2 H 1 1.627 . . . . . . . 59 LYS HD2 . 7383 1 576 . 1 1 53 53 LYS HE2 H 1 3.010 . . . . . . . 59 LYS HE2 . 7383 1 577 . 1 1 53 53 LYS HG2 H 1 1.453 . . . . . . . 59 LYS HG2 . 7383 1 578 . 1 1 53 53 LYS C C 13 175.4 . . . . . . . 59 LYS C . 7383 1 579 . 1 1 53 53 LYS CA C 13 58.21 . . . . . . . 59 LYS CA . 7383 1 580 . 1 1 53 53 LYS CB C 13 32.18 . . . . . . . 59 LYS CB . 7383 1 581 . 1 1 53 53 LYS N N 15 119.3 . . . . . . . 59 LYS N . 7383 1 582 . 1 1 54 54 ALA H H 1 7.633 . . . . . . . 60 ALA H . 7383 1 583 . 1 1 54 54 ALA HA H 1 2.531 . . . . . . . 60 ALA HA . 7383 1 584 . 1 1 54 54 ALA HB1 H 1 1.153 . . . . . . . 60 ALA HB . 7383 1 585 . 1 1 54 54 ALA HB2 H 1 1.153 . . . . . . . 60 ALA HB . 7383 1 586 . 1 1 54 54 ALA HB3 H 1 1.153 . . . . . . . 60 ALA HB . 7383 1 587 . 1 1 54 54 ALA C C 13 177.7 . . . . . . . 60 ALA C . 7383 1 588 . 1 1 54 54 ALA CA C 13 54.40 . . . . . . . 60 ALA CA . 7383 1 589 . 1 1 54 54 ALA CB C 13 18.84 . . . . . . . 60 ALA CB . 7383 1 590 . 1 1 54 54 ALA N N 15 121.2 . . . . . . . 60 ALA N . 7383 1 591 . 1 1 55 55 ILE H H 1 7.666 . . . . . . . 61 ILE H . 7383 1 592 . 1 1 55 55 ILE HA H 1 3.304 . . . . . . . 61 ILE HA . 7383 1 593 . 1 1 55 55 ILE HB H 1 1.532 . . . . . . . 61 ILE HB . 7383 1 594 . 1 1 55 55 ILE HD11 H 1 -0.090 . . . . . . . 61 ILE HD1 . 7383 1 595 . 1 1 55 55 ILE HD12 H 1 -0.090 . . . . . . . 61 ILE HD1 . 7383 1 596 . 1 1 55 55 ILE HD13 H 1 -0.090 . . . . . . . 61 ILE HD1 . 7383 1 597 . 1 1 55 55 ILE HG12 H 1 1.352 . . . . . . . 61 ILE HG12 . 7383 1 598 . 1 1 55 55 ILE HG13 H 1 0.4628 . . . . . . . 61 ILE HG13 . 7383 1 599 . 1 1 55 55 ILE HG21 H 1 0.7373 . . . . . . . 61 ILE HG2 . 7383 1 600 . 1 1 55 55 ILE HG22 H 1 0.7373 . . . . . . . 61 ILE HG2 . 7383 1 601 . 1 1 55 55 ILE HG23 H 1 0.7373 . . . . . . . 61 ILE HG2 . 7383 1 602 . 1 1 55 55 ILE C C 13 176.1 . . . . . . . 61 ILE C . 7383 1 603 . 1 1 55 55 ILE CA C 13 66.43 . . . . . . . 61 ILE CA . 7383 1 604 . 1 1 55 55 ILE CB C 13 38.53 . . . . . . . 61 ILE CB . 7383 1 605 . 1 1 55 55 ILE CD1 C 13 13.04 . . . . . . . 61 ILE CD1 . 7383 1 606 . 1 1 55 55 ILE CG1 C 13 29.51 . . . . . . . 61 ILE CG1 . 7383 1 607 . 1 1 55 55 ILE CG2 C 13 17.01 . . . . . . . 61 ILE CG2 . 7383 1 608 . 1 1 55 55 ILE N N 15 117.4 . . . . . . . 61 ILE N . 7383 1 609 . 1 1 56 56 GLU H H 1 7.181 . . . . . . . 62 GLU H . 7383 1 610 . 1 1 56 56 GLU HA H 1 3.929 . . . . . . . 62 GLU HA . 7383 1 611 . 1 1 56 56 GLU HB2 H 1 2.128 . . . . . . . 62 GLU HB2 . 7383 1 612 . 1 1 56 56 GLU HG2 H 1 2.234 . . . . . . . 62 GLU HG2 . 7383 1 613 . 1 1 56 56 GLU HG3 H 1 2.359 . . . . . . . 62 GLU HG3 . 7383 1 614 . 1 1 56 56 GLU C C 13 176.9 . . . . . . . 62 GLU C . 7383 1 615 . 1 1 56 56 GLU CA C 13 59.31 . . . . . . . 62 GLU CA . 7383 1 616 . 1 1 56 56 GLU CG C 13 36.26 . . . . . . . 62 GLU CG . 7383 1 617 . 1 1 56 56 GLU N N 15 117.2 . . . . . . . 62 GLU N . 7383 1 618 . 1 1 57 57 GLU H H 1 7.938 . . . . . . . 63 GLU H . 7383 1 619 . 1 1 57 57 GLU HA H 1 4.384 . . . . . . . 63 GLU HA . 7383 1 620 . 1 1 57 57 GLU HB2 H 1 1.913 . . . . . . . 63 GLU HB2 . 7383 1 621 . 1 1 57 57 GLU HB3 H 1 2.213 . . . . . . . 63 GLU HB3 . 7383 1 622 . 1 1 57 57 GLU HG2 H 1 2.328 . . . . . . . 63 GLU HG2 . 7383 1 623 . 1 1 57 57 GLU HG3 H 1 2.435 . . . . . . . 63 GLU HG3 . 7383 1 624 . 1 1 57 57 GLU C C 13 175.8 . . . . . . . 63 GLU C . 7383 1 625 . 1 1 57 57 GLU CA C 13 57.77 . . . . . . . 63 GLU CA . 7383 1 626 . 1 1 57 57 GLU N N 15 114.4 . . . . . . . 63 GLU N . 7383 1 627 . 1 1 58 58 VAL H H 1 8.594 . . . . . . . 64 VAL H . 7383 1 628 . 1 1 58 58 VAL HA H 1 3.924 . . . . . . . 64 VAL HA . 7383 1 629 . 1 1 58 58 VAL HB H 1 1.974 . . . . . . . 64 VAL HB . 7383 1 630 . 1 1 58 58 VAL HG11 H 1 0.7170 . . . . . . . 64 VAL HG1 . 7383 1 631 . 1 1 58 58 VAL HG12 H 1 0.7170 . . . . . . . 64 VAL HG1 . 7383 1 632 . 1 1 58 58 VAL HG13 H 1 0.7170 . . . . . . . 64 VAL HG1 . 7383 1 633 . 1 1 58 58 VAL HG21 H 1 0.7820 . . . . . . . 64 VAL HG2 . 7383 1 634 . 1 1 58 58 VAL HG22 H 1 0.7820 . . . . . . . 64 VAL HG2 . 7383 1 635 . 1 1 58 58 VAL HG23 H 1 0.7820 . . . . . . . 64 VAL HG2 . 7383 1 636 . 1 1 58 58 VAL C C 13 173.8 . . . . . . . 64 VAL C . 7383 1 637 . 1 1 58 58 VAL CA C 13 63.62 . . . . . . . 64 VAL CA . 7383 1 638 . 1 1 58 58 VAL N N 15 118.3 . . . . . . . 64 VAL N . 7383 1 639 . 1 1 59 59 HIS H H 1 7.523 . . . . . . . 65 HIS H . 7383 1 640 . 1 1 59 59 HIS HA H 1 4.129 . . . . . . . 65 HIS HA . 7383 1 641 . 1 1 59 59 HIS HB2 H 1 3.208 . . . . . . . 65 HIS HB2 . 7383 1 642 . 1 1 59 59 HIS HB3 H 1 3.280 . . . . . . . 65 HIS HB3 . 7383 1 643 . 1 1 59 59 HIS C C 13 175.7 . . . . . . . 65 HIS C . 7383 1 644 . 1 1 59 59 HIS CA C 13 60.41 . . . . . . . 65 HIS CA . 7383 1 645 . 1 1 59 59 HIS CB C 13 31.52 . . . . . . . 65 HIS CB . 7383 1 646 . 1 1 59 59 HIS N N 15 118.3 . . . . . . . 65 HIS N . 7383 1 647 . 1 1 60 60 GLY H H 1 8.818 . . . . . . . 66 GLY H . 7383 1 648 . 1 1 60 60 GLY HA2 H 1 3.275 . . . . . . . 66 GLY HA2 . 7383 1 649 . 1 1 60 60 GLY HA3 H 1 4.103 . . . . . . . 66 GLY HA3 . 7383 1 650 . 1 1 60 60 GLY C C 13 172.4 . . . . . . . 66 GLY C . 7383 1 651 . 1 1 60 60 GLY CA C 13 45.13 . . . . . . . 66 GLY CA . 7383 1 652 . 1 1 60 60 GLY N N 15 116.9 . . . . . . . 66 GLY N . 7383 1 653 . 1 1 61 61 LYS H H 1 8.335 . . . . . . . 67 LYS H . 7383 1 654 . 1 1 61 61 LYS HA H 1 4.225 . . . . . . . 67 LYS HA . 7383 1 655 . 1 1 61 61 LYS HB2 H 1 2.032 . . . . . . . 67 LYS HB2 . 7383 1 656 . 1 1 61 61 LYS HB3 H 1 2.036 . . . . . . . 67 LYS HB3 . 7383 1 657 . 1 1 61 61 LYS HD2 H 1 1.646 . . . . . . . 67 LYS HD2 . 7383 1 658 . 1 1 61 61 LYS HE2 H 1 3.076 . . . . . . . 67 LYS HE2 . 7383 1 659 . 1 1 61 61 LYS HG2 H 1 1.371 . . . . . . . 67 LYS HG2 . 7383 1 660 . 1 1 61 61 LYS C C 13 174.0 . . . . . . . 67 LYS C . 7383 1 661 . 1 1 61 61 LYS CA C 13 56.52 . . . . . . . 67 LYS CA . 7383 1 662 . 1 1 61 61 LYS CD C 13 28.88 . . . . . . . 67 LYS CD . 7383 1 663 . 1 1 61 61 LYS CE C 13 42.35 . . . . . . . 67 LYS CE . 7383 1 664 . 1 1 61 61 LYS CG C 13 25.34 . . . . . . . 67 LYS CG . 7383 1 665 . 1 1 61 61 LYS N N 15 122.9 . . . . . . . 67 LYS N . 7383 1 666 . 1 1 62 62 SER H H 1 8.411 . . . . . . . 68 SER H . 7383 1 667 . 1 1 62 62 SER HA H 1 4.684 . . . . . . . 68 SER HA . 7383 1 668 . 1 1 62 62 SER HB2 H 1 3.507 . . . . . . . 68 SER HB2 . 7383 1 669 . 1 1 62 62 SER HB3 H 1 3.591 . . . . . . . 68 SER HB3 . 7383 1 670 . 1 1 62 62 SER C C 13 172.9 . . . . . . . 68 SER C . 7383 1 671 . 1 1 62 62 SER CA C 13 58.71 . . . . . . . 68 SER CA . 7383 1 672 . 1 1 62 62 SER CB C 13 64.31 . . . . . . . 68 SER CB . 7383 1 673 . 1 1 62 62 SER N N 15 116.8 . . . . . . . 68 SER N . 7383 1 674 . 1 1 63 63 PHE H H 1 9.062 . . . . . . . 69 PHE H . 7383 1 675 . 1 1 63 63 PHE HA H 1 4.419 . . . . . . . 69 PHE HA . 7383 1 676 . 1 1 63 63 PHE HB2 H 1 2.898 . . . . . . . 69 PHE HB2 . 7383 1 677 . 1 1 63 63 PHE HB3 H 1 2.800 . . . . . . . 69 PHE HB3 . 7383 1 678 . 1 1 63 63 PHE HD1 H 1 7.356 . . . . . . . 69 PHE HD1 . 7383 1 679 . 1 1 63 63 PHE HE1 H 1 6.670 . . . . . . . 69 PHE HE1 . 7383 1 680 . 1 1 63 63 PHE HZ H 1 6.448 . . . . . . . 69 PHE HZ . 7383 1 681 . 1 1 63 63 PHE C C 13 173.5 . . . . . . . 69 PHE C . 7383 1 682 . 1 1 63 63 PHE CA C 13 58.55 . . . . . . . 69 PHE CA . 7383 1 683 . 1 1 63 63 PHE CB C 13 42.53 . . . . . . . 69 PHE CB . 7383 1 684 . 1 1 63 63 PHE N N 15 126.4 . . . . . . . 69 PHE N . 7383 1 685 . 1 1 64 64 ALA H H 1 8.837 . . . . . . . 70 ALA H . 7383 1 686 . 1 1 64 64 ALA HA H 1 3.690 . . . . . . . 70 ALA HA . 7383 1 687 . 1 1 64 64 ALA HB1 H 1 1.234 . . . . . . . 70 ALA HB . 7383 1 688 . 1 1 64 64 ALA HB2 H 1 1.234 . . . . . . . 70 ALA HB . 7383 1 689 . 1 1 64 64 ALA HB3 H 1 1.234 . . . . . . . 70 ALA HB . 7383 1 690 . 1 1 64 64 ALA C C 13 174.5 . . . . . . . 70 ALA C . 7383 1 691 . 1 1 64 64 ALA CA C 13 53.40 . . . . . . . 70 ALA CA . 7383 1 692 . 1 1 64 64 ALA CB C 13 16.36 . . . . . . . 70 ALA CB . 7383 1 693 . 1 1 64 64 ALA N N 15 133.4 . . . . . . . 70 ALA N . 7383 1 694 . 1 1 65 65 ASN H H 1 8.491 . . . . . . . 71 ASN H . 7383 1 695 . 1 1 65 65 ASN HA H 1 4.029 . . . . . . . 71 ASN HA . 7383 1 696 . 1 1 65 65 ASN HB2 H 1 2.914 . . . . . . . 71 ASN HB2 . 7383 1 697 . 1 1 65 65 ASN HB3 H 1 3.021 . . . . . . . 71 ASN HB3 . 7383 1 698 . 1 1 65 65 ASN HD21 H 1 6.801 . . . . . . . 71 ASN HD21 . 7383 1 699 . 1 1 65 65 ASN HD22 H 1 7.447 . . . . . . . 71 ASN HD22 . 7383 1 700 . 1 1 65 65 ASN C C 13 172.1 . . . . . . . 71 ASN C . 7383 1 701 . 1 1 65 65 ASN CA C 13 54.69 . . . . . . . 71 ASN CA . 7383 1 702 . 1 1 65 65 ASN CB C 13 38.01 . . . . . . . 71 ASN CB . 7383 1 703 . 1 1 65 65 ASN N N 15 107.6 . . . . . . . 71 ASN N . 7383 1 704 . 1 1 65 65 ASN ND2 N 15 113.3 . . . . . . . 71 ASN ND2 . 7383 1 705 . 1 1 66 66 GLN H H 1 7.694 . . . . . . . 72 GLN H . 7383 1 706 . 1 1 66 66 GLN HA H 1 4.870 . . . . . . . 72 GLN HA . 7383 1 707 . 1 1 66 66 GLN HB2 H 1 1.875 . . . . . . . 72 GLN HB2 . 7383 1 708 . 1 1 66 66 GLN HE21 H 1 6.789 . . . . . . . 72 GLN HE21 . 7383 1 709 . 1 1 66 66 GLN HE22 H 1 7.579 . . . . . . . 72 GLN HE22 . 7383 1 710 . 1 1 66 66 GLN HG2 H 1 2.267 . . . . . . . 72 GLN HG2 . 7383 1 711 . 1 1 66 66 GLN HG3 H 1 2.320 . . . . . . . 72 GLN HG3 . 7383 1 712 . 1 1 66 66 GLN CA C 13 52.82 . . . . . . . 72 GLN CA . 7383 1 713 . 1 1 66 66 GLN CB C 13 31.00 . . . . . . . 72 GLN CB . 7383 1 714 . 1 1 66 66 GLN CG C 13 33.39 . . . . . . . 72 GLN CG . 7383 1 715 . 1 1 66 66 GLN N N 15 118.0 . . . . . . . 72 GLN N . 7383 1 716 . 1 1 66 66 GLN NE2 N 15 112.1 . . . . . . . 72 GLN NE2 . 7383 1 717 . 1 1 67 67 PRO HA H 1 4.154 . . . . . . . 73 PRO HA . 7383 1 718 . 1 1 67 67 PRO HB2 H 1 1.781 . . . . . . . 73 PRO HB2 . 7383 1 719 . 1 1 67 67 PRO HB3 H 1 1.886 . . . . . . . 73 PRO HB3 . 7383 1 720 . 1 1 67 67 PRO HD2 H 1 3.586 . . . . . . . 73 PRO HD2 . 7383 1 721 . 1 1 67 67 PRO HD3 H 1 3.503 . . . . . . . 73 PRO HD3 . 7383 1 722 . 1 1 67 67 PRO C C 13 174.5 . . . . . . . 73 PRO C . 7383 1 723 . 1 1 67 67 PRO CA C 13 62.02 . . . . . . . 73 PRO CA . 7383 1 724 . 1 1 67 67 PRO CB C 13 31.50 . . . . . . . 73 PRO CB . 7383 1 725 . 1 1 68 68 LEU H H 1 8.601 . . . . . . . 74 LEU H . 7383 1 726 . 1 1 68 68 LEU HA H 1 4.423 . . . . . . . 74 LEU HA . 7383 1 727 . 1 1 68 68 LEU HB2 H 1 1.888 . . . . . . . 74 LEU HB2 . 7383 1 728 . 1 1 68 68 LEU HB3 H 1 1.930 . . . . . . . 74 LEU HB3 . 7383 1 729 . 1 1 68 68 LEU HD11 H 1 0.544 . . . . . . . 74 LEU HD1 . 7383 1 730 . 1 1 68 68 LEU HD12 H 1 0.544 . . . . . . . 74 LEU HD1 . 7383 1 731 . 1 1 68 68 LEU HD13 H 1 0.544 . . . . . . . 74 LEU HD1 . 7383 1 732 . 1 1 68 68 LEU HD21 H 1 0.175 . . . . . . . 74 LEU HD2 . 7383 1 733 . 1 1 68 68 LEU HD22 H 1 0.175 . . . . . . . 74 LEU HD2 . 7383 1 734 . 1 1 68 68 LEU HD23 H 1 0.175 . . . . . . . 74 LEU HD2 . 7383 1 735 . 1 1 68 68 LEU HG H 1 1.776 . . . . . . . 74 LEU HG . 7383 1 736 . 1 1 68 68 LEU C C 13 176.1 . . . . . . . 74 LEU C . 7383 1 737 . 1 1 68 68 LEU CA C 13 54.71 . . . . . . . 74 LEU CA . 7383 1 738 . 1 1 68 68 LEU CB C 13 43.43 . . . . . . . 74 LEU CB . 7383 1 739 . 1 1 68 68 LEU CD1 C 13 25.38 . . . . . . . 74 LEU CD1 . 7383 1 740 . 1 1 68 68 LEU CD2 C 13 23.33 . . . . . . . 74 LEU CD2 . 7383 1 741 . 1 1 68 68 LEU CG C 13 26.25 . . . . . . . 74 LEU CG . 7383 1 742 . 1 1 68 68 LEU N N 15 122.8 . . . . . . . 74 LEU N . 7383 1 743 . 1 1 69 69 GLU H H 1 9.527 . . . . . . . 75 GLU H . 7383 1 744 . 1 1 69 69 GLU HA H 1 4.938 . . . . . . . 75 GLU HA . 7383 1 745 . 1 1 69 69 GLU HB2 H 1 1.920 . . . . . . . 75 GLU HB2 . 7383 1 746 . 1 1 69 69 GLU HG2 H 1 2.228 . . . . . . . 75 GLU HG2 . 7383 1 747 . 1 1 69 69 GLU HG3 H 1 2.139 . . . . . . . 75 GLU HG3 . 7383 1 748 . 1 1 69 69 GLU C C 13 173.6 . . . . . . . 75 GLU C . 7383 1 749 . 1 1 69 69 GLU CA C 13 54.61 . . . . . . . 75 GLU CA . 7383 1 750 . 1 1 69 69 GLU CB C 13 31.00 . . . . . . . 75 GLU CB . 7383 1 751 . 1 1 69 69 GLU N N 15 124.9 . . . . . . . 75 GLU N . 7383 1 752 . 1 1 70 70 VAL H H 1 8.598 . . . . . . . 76 VAL H . 7383 1 753 . 1 1 70 70 VAL HA H 1 4.604 . . . . . . . 76 VAL HA . 7383 1 754 . 1 1 70 70 VAL HB H 1 2.210 . . . . . . . 76 VAL HB . 7383 1 755 . 1 1 70 70 VAL HG11 H 1 0.8353 . . . . . . . 76 VAL HG1 . 7383 1 756 . 1 1 70 70 VAL HG12 H 1 0.8353 . . . . . . . 76 VAL HG1 . 7383 1 757 . 1 1 70 70 VAL HG13 H 1 0.8353 . . . . . . . 76 VAL HG1 . 7383 1 758 . 1 1 70 70 VAL HG21 H 1 0.9510 . . . . . . . 76 VAL HG2 . 7383 1 759 . 1 1 70 70 VAL HG22 H 1 0.9510 . . . . . . . 76 VAL HG2 . 7383 1 760 . 1 1 70 70 VAL HG23 H 1 0.9510 . . . . . . . 76 VAL HG2 . 7383 1 761 . 1 1 70 70 VAL C C 13 177.3 . . . . . . . 76 VAL C . 7383 1 762 . 1 1 70 70 VAL CB C 13 33.75 . . . . . . . 76 VAL CB . 7383 1 763 . 1 1 70 70 VAL CG1 C 13 24.37 . . . . . . . 76 VAL CG1 . 7383 1 764 . 1 1 70 70 VAL CG2 C 13 23.57 . . . . . . . 76 VAL CG2 . 7383 1 765 . 1 1 70 70 VAL N N 15 124.0 . . . . . . . 76 VAL N . 7383 1 766 . 1 1 71 71 VAL H H 1 8.127 . . . . . . . 77 VAL H . 7383 1 767 . 1 1 71 71 VAL HA H 1 4.680 . . . . . . . 77 VAL HA . 7383 1 768 . 1 1 71 71 VAL HB H 1 2.380 . . . . . . . 77 VAL HB . 7383 1 769 . 1 1 71 71 VAL HG11 H 1 0.8796 . . . . . . . 77 VAL HG1 . 7383 1 770 . 1 1 71 71 VAL HG12 H 1 0.8796 . . . . . . . 77 VAL HG1 . 7383 1 771 . 1 1 71 71 VAL HG13 H 1 0.8796 . . . . . . . 77 VAL HG1 . 7383 1 772 . 1 1 71 71 VAL HG21 H 1 0.9995 . . . . . . . 77 VAL HG2 . 7383 1 773 . 1 1 71 71 VAL HG22 H 1 0.9995 . . . . . . . 77 VAL HG2 . 7383 1 774 . 1 1 71 71 VAL HG23 H 1 0.9995 . . . . . . . 77 VAL HG2 . 7383 1 775 . 1 1 71 71 VAL C C 13 173.6 . . . . . . . 77 VAL C . 7383 1 776 . 1 1 71 71 VAL CA C 13 57.78 . . . . . . . 77 VAL CA . 7383 1 777 . 1 1 71 71 VAL CB C 13 36.46 . . . . . . . 77 VAL CB . 7383 1 778 . 1 1 71 71 VAL CG2 C 13 21.43 . . . . . . . 77 VAL CG2 . 7383 1 779 . 1 1 71 71 VAL N N 15 116.5 . . . . . . . 77 VAL N . 7383 1 780 . 1 1 72 72 TYR H H 1 8.184 . . . . . . . 78 TYR H . 7383 1 781 . 1 1 72 72 TYR HA H 1 4.727 . . . . . . . 78 TYR HA . 7383 1 782 . 1 1 72 72 TYR HB2 H 1 2.676 . . . . . . . 78 TYR HB2 . 7383 1 783 . 1 1 72 72 TYR HB3 H 1 3.509 . . . . . . . 78 TYR HB3 . 7383 1 784 . 1 1 72 72 TYR HD1 H 1 7.074 . . . . . . . 78 TYR HD1 . 7383 1 785 . 1 1 72 72 TYR HE1 H 1 6.554 . . . . . . . 78 TYR HE1 . 7383 1 786 . 1 1 72 72 TYR C C 13 174.9 . . . . . . . 78 TYR C . 7383 1 787 . 1 1 72 72 TYR CA C 13 60.27 . . . . . . . 78 TYR CA . 7383 1 788 . 1 1 72 72 TYR CB C 13 39.25 . . . . . . . 78 TYR CB . 7383 1 789 . 1 1 72 72 TYR N N 15 119.9 . . . . . . . 78 TYR N . 7383 1 790 . 1 1 73 73 SER H H 1 8.946 . . . . . . . 79 SER H . 7383 1 791 . 1 1 73 73 SER HA H 1 4.470 . . . . . . . 79 SER HA . 7383 1 792 . 1 1 73 73 SER HB2 H 1 3.963 . . . . . . . 79 SER HB2 . 7383 1 793 . 1 1 73 73 SER HB3 H 1 3.734 . . . . . . . 79 SER HB3 . 7383 1 794 . 1 1 73 73 SER C C 13 171.9 . . . . . . . 79 SER C . 7383 1 795 . 1 1 73 73 SER CA C 13 57.94 . . . . . . . 79 SER CA . 7383 1 796 . 1 1 73 73 SER CB C 13 65.13 . . . . . . . 79 SER CB . 7383 1 797 . 1 1 73 73 SER N N 15 115.7 . . . . . . . 79 SER N . 7383 1 798 . 1 1 74 74 LYS H H 1 8.329 . . . . . . . 80 LYS H . 7383 1 799 . 1 1 74 74 LYS HA H 1 4.523 . . . . . . . 80 LYS HA . 7383 1 800 . 1 1 74 74 LYS HB2 H 1 1.626 . . . . . . . 80 LYS HB2 . 7383 1 801 . 1 1 74 74 LYS HB3 H 1 1.777 . . . . . . . 80 LYS HB3 . 7383 1 802 . 1 1 74 74 LYS HE2 H 1 2.904 . . . . . . . 80 LYS HE2 . 7383 1 803 . 1 1 74 74 LYS HG2 H 1 1.604 . . . . . . . 80 LYS HG2 . 7383 1 804 . 1 1 74 74 LYS HG3 H 1 1.369 . . . . . . . 80 LYS HG3 . 7383 1 805 . 1 1 74 74 LYS C C 13 175.3 . . . . . . . 80 LYS C . 7383 1 806 . 1 1 74 74 LYS CA C 13 56.36 . . . . . . . 80 LYS CA . 7383 1 807 . 1 1 74 74 LYS CB C 13 33.70 . . . . . . . 80 LYS CB . 7383 1 808 . 1 1 74 74 LYS CG C 13 25.35 . . . . . . . 80 LYS CG . 7383 1 809 . 1 1 74 74 LYS N N 15 122.9 . . . . . . . 80 LYS N . 7383 1 stop_ save_