data_6571 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6571 _Entry.Title ; Chemical Shift Assignments for the theta subunit of DNA polymerase III from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-29 _Entry.Accession_date 2005-03-29 _Entry.Last_release_date 2005-10-17 _Entry.Original_release_date 2005-10-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Geoffrey Mueller . A. . 6571 2 Thomas Kirby . W. . 6571 3 Eugene DeRose . F. . 6571 4 Dawei Li . . . 6571 5 Roel Schaaper . M. . 6571 6 Robert London . E. . 6571 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NIEHS . 6571 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6571 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 6571 '15N chemical shifts' 69 6571 '1H chemical shifts' 397 6571 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 . . 2005-10-17 2005-03-29 original author . 6571 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6571 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16199579 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance Solution Structure of the Escherichia coli DNA Polymerase III {theta} Subunit. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full . _Citation.Journal_volume 187 _Citation.Journal_issue 20 _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 7081 _Citation.Page_last 7089 _Citation.Year 2005 _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 Geoffrey Mueller . A. . 6571 1 2 Thomas Kirby . W. . 6571 1 3 Eugene DeRose . F. . 6571 1 4 Dawei Li . . . 6571 1 5 Roel Schaaper . M. . 6571 1 6 Robert London . E. . 6571 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6571 _Assembly.ID 1 _Assembly.Name theta _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 . 1 $theta . . yes native yes no . . . 6571 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_theta _Entity.Sf_category entity _Entity.Sf_framecode theta _Entity.Entry_ID 6571 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name theta _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLKNLAKLDQTEMDKVNVDL AAAGVAFKERYNMPVIAEAV EREQPEHLRSWFRERLIAHR LASVNLSRLPYEPKLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1DU2 . "Solution Structure Of The Theta Subunit Of Dna Polymerase Iii" . . . . . 98.68 76 100.00 100.00 8.75e-46 . . . . 6571 1 2 no PDB 2AE9 . "Solution Structure Of The Theta Subunit Of Dna Polymerase Iii From E. Coli" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 3 no PDB 2AXD . "Solution Structure Of The Theta Subunit Of Escherichia Coli Dna Polymerase Iii In Complex With The Epsilon Subunit" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 4 no PDB 2XY8 . "Paramagnetic-Based Nmr Structure Of The Complex Between The N-Terminal Epsilon Domain And The Theta Domain Of The Dna Polymeras" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 5 no DBJ BAA15650 . "DNA polymerase III, theta subunit [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 6 no DBJ BAB35975 . "DNA polymerase III theta subunit [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 7 no DBJ BAG77541 . "DNA polymerase III theta subunit [Escherichia coli SE11]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 8 no DBJ BAI25919 . "DNA polymerase III, theta subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 9 no DBJ BAI36214 . "DNA polymerase III, theta subunit [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 10 no EMBL CAP76332 . "DNA polymerase III theta subunit [Escherichia coli LF82]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 11 no EMBL CAQ32318 . "DNA polymerase III, theta subunit, subunit of DNA polymerase III, core enzyme and DNA polymerase III, holoenzyme [Escherichia c" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 12 no EMBL CAQ98768 . "DNA polymerase III, theta subunit [Escherichia coli IAI1]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 13 no EMBL CAR03202 . "DNA polymerase III, theta subunit [Escherichia coli S88]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 14 no EMBL CAR08239 . "DNA polymerase III, theta subunit [Escherichia coli ED1a]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 15 no GB AAA23697 . "DNA polymerase III theta subunit [Escherichia coli]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 16 no GB AAA23982 . "DNA polymerase III theta subunit [Escherichia coli]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 17 no GB AAC74912 . "DNA polymerase III, theta subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 18 no GB AAG56832 . "DNA polymerase III theta subunit [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 19 no GB AAN43412 . "DNA polymerase III, theta subunit [Shigella flexneri 2a str. 301]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 20 no REF NP_288279 . "DNA polymerase III subunit theta [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 21 no REF NP_310579 . "DNA polymerase III subunit theta [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 22 no REF NP_416356 . "DNA polymerase III, theta subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 23 no REF NP_707705 . "DNA polymerase III subunit theta [Shigella flexneri 2a str. 301]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 24 no REF NP_754146 . "DNA polymerase III subunit theta [Escherichia coli CFT073]" . . . . . 100.00 105 100.00 100.00 1.21e-46 . . . . 6571 1 25 no SP P0ABS8 . "RecName: Full=DNA polymerase III subunit theta [Escherichia coli K-12]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 26 no SP P0ABS9 . "RecName: Full=DNA polymerase III subunit theta [Escherichia coli CFT073]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 27 no SP P0ABT0 . "RecName: Full=DNA polymerase III subunit theta [Escherichia coli O157:H7]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 28 no SP P0ABT1 . "RecName: Full=DNA polymerase III subunit theta [Shigella flexneri]" . . . . . 100.00 76 100.00 100.00 1.19e-46 . . . . 6571 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6571 1 2 . LEU . 6571 1 3 . LYS . 6571 1 4 . ASN . 6571 1 5 . LEU . 6571 1 6 . ALA . 6571 1 7 . LYS . 6571 1 8 . LEU . 6571 1 9 . ASP . 6571 1 10 . GLN . 6571 1 11 . THR . 6571 1 12 . GLU . 6571 1 13 . MET . 6571 1 14 . ASP . 6571 1 15 . LYS . 6571 1 16 . VAL . 6571 1 17 . ASN . 6571 1 18 . VAL . 6571 1 19 . ASP . 6571 1 20 . LEU . 6571 1 21 . ALA . 6571 1 22 . ALA . 6571 1 23 . ALA . 6571 1 24 . GLY . 6571 1 25 . VAL . 6571 1 26 . ALA . 6571 1 27 . PHE . 6571 1 28 . LYS . 6571 1 29 . GLU . 6571 1 30 . ARG . 6571 1 31 . TYR . 6571 1 32 . ASN . 6571 1 33 . MET . 6571 1 34 . PRO . 6571 1 35 . VAL . 6571 1 36 . ILE . 6571 1 37 . ALA . 6571 1 38 . GLU . 6571 1 39 . ALA . 6571 1 40 . VAL . 6571 1 41 . GLU . 6571 1 42 . ARG . 6571 1 43 . GLU . 6571 1 44 . GLN . 6571 1 45 . PRO . 6571 1 46 . GLU . 6571 1 47 . HIS . 6571 1 48 . LEU . 6571 1 49 . ARG . 6571 1 50 . SER . 6571 1 51 . TRP . 6571 1 52 . PHE . 6571 1 53 . ARG . 6571 1 54 . GLU . 6571 1 55 . ARG . 6571 1 56 . LEU . 6571 1 57 . ILE . 6571 1 58 . ALA . 6571 1 59 . HIS . 6571 1 60 . ARG . 6571 1 61 . LEU . 6571 1 62 . ALA . 6571 1 63 . SER . 6571 1 64 . VAL . 6571 1 65 . ASN . 6571 1 66 . LEU . 6571 1 67 . SER . 6571 1 68 . ARG . 6571 1 69 . LEU . 6571 1 70 . PRO . 6571 1 71 . TYR . 6571 1 72 . GLU . 6571 1 73 . PRO . 6571 1 74 . LYS . 6571 1 75 . LEU . 6571 1 76 . LYS . 6571 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 6571 1 . LEU 2 2 6571 1 . LYS 3 3 6571 1 . ASN 4 4 6571 1 . LEU 5 5 6571 1 . ALA 6 6 6571 1 . LYS 7 7 6571 1 . LEU 8 8 6571 1 . ASP 9 9 6571 1 . GLN 10 10 6571 1 . THR 11 11 6571 1 . GLU 12 12 6571 1 . MET 13 13 6571 1 . ASP 14 14 6571 1 . LYS 15 15 6571 1 . VAL 16 16 6571 1 . ASN 17 17 6571 1 . VAL 18 18 6571 1 . ASP 19 19 6571 1 . LEU 20 20 6571 1 . ALA 21 21 6571 1 . ALA 22 22 6571 1 . ALA 23 23 6571 1 . GLY 24 24 6571 1 . VAL 25 25 6571 1 . ALA 26 26 6571 1 . PHE 27 27 6571 1 . LYS 28 28 6571 1 . GLU 29 29 6571 1 . ARG 30 30 6571 1 . TYR 31 31 6571 1 . ASN 32 32 6571 1 . MET 33 33 6571 1 . PRO 34 34 6571 1 . VAL 35 35 6571 1 . ILE 36 36 6571 1 . ALA 37 37 6571 1 . GLU 38 38 6571 1 . ALA 39 39 6571 1 . VAL 40 40 6571 1 . GLU 41 41 6571 1 . ARG 42 42 6571 1 . GLU 43 43 6571 1 . GLN 44 44 6571 1 . PRO 45 45 6571 1 . GLU 46 46 6571 1 . HIS 47 47 6571 1 . LEU 48 48 6571 1 . ARG 49 49 6571 1 . SER 50 50 6571 1 . TRP 51 51 6571 1 . PHE 52 52 6571 1 . ARG 53 53 6571 1 . GLU 54 54 6571 1 . ARG 55 55 6571 1 . LEU 56 56 6571 1 . ILE 57 57 6571 1 . ALA 58 58 6571 1 . HIS 59 59 6571 1 . ARG 60 60 6571 1 . LEU 61 61 6571 1 . ALA 62 62 6571 1 . SER 63 63 6571 1 . VAL 64 64 6571 1 . ASN 65 65 6571 1 . LEU 66 66 6571 1 . SER 67 67 6571 1 . ARG 68 68 6571 1 . LEU 69 69 6571 1 . PRO 70 70 6571 1 . TYR 71 71 6571 1 . GLU 72 72 6571 1 . PRO 73 73 6571 1 . LYS 74 74 6571 1 . LEU 75 75 6571 1 . LYS 76 76 6571 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 6571 _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 $theta . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria 'Not applicable' Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6571 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 6571 _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 $theta . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6571 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6571 _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 theta . 1 $assembly 1 $theta . . 600 . . uM . . . . 6571 1 2 d3-methanol . 1 $assembly . . . . 40 . . v/v . . . . 6571 1 3 H20 . 1 $assembly . . . . 100 . . % . . . . 6571 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6571 _Sample.ID 2 _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 theta . 1 $assembly 1 $theta . . 600 . . uM . . . . 6571 2 2 d3-methanol . 1 $assembly . . . . 40 . . v/v . . . . 6571 2 3 D20 . 1 $assembly . . . . 100 . . % . . . . 6571 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6571 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Note: The sample buffer contained 40% (v/v) d3-methanol in H2O and 40% (v/v) d4-methanol in D2O buffer.' 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 pH 7 0.1 pH 6571 1 temperature 298 0.1 K 6571 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Software.Sf_category software _Software.Sf_framecode nmrpipe _Software.Entry_ID 6571 _Software.ID 1 _Software.Name 'nmrPipe and nmrDraw' _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing time domain data' 6571 1 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 6571 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analyzing frequency domain data' 6571 2 stop_ save_ save_paces _Software.Sf_category software _Software.Sf_framecode paces _Software.Entry_ID 6571 _Software.ID 3 _Software.Name PACES _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated main chain assignments' 6571 3 stop_ save_ save_NvAssign _Software.Sf_category software _Software.Sf_framecode NvAssign _Software.Entry_ID 6571 _Software.ID 4 _Software.Name NvAssign _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Analyzing Main Chain assignment data' 6571 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6571 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Crogenically cooled probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6571 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Room Temperature Probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6571 _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 '1H15N_HSQC (example)' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 2 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 3 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 4 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 5 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 6 HCCH-tocsy no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 7 '3D 15N-edited NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 8 '3d 13C-edited NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 9 (HB)CB(CGCD)HD no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 10 (HB)CB(CGCDCE)HE no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 11 '1H-13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 12 H(CCO)NH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 13 (H)C(CO)NH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6571 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6571 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6571 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . 1 $entry_citation . . 1 $entry_citation 6571 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6571 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6571 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6571 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 9 9 ASP HA H 1 4.577 . . 1 . . . . 9 ASP HA . 6571 1 2 . 1 1 9 9 ASP HB2 H 1 2.730 . . 2 . . . . 9 ASP HB1 . 6571 1 3 . 1 1 9 9 ASP C C 13 176.653 . . 1 . . . . 9 ASP C . 6571 1 4 . 1 1 9 9 ASP CA C 13 53.942 . . 1 . . . . 9 ASP CA . 6571 1 5 . 1 1 9 9 ASP CB C 13 41.668 . . 1 . . . . 9 ASP CB . 6571 1 6 . 1 1 10 10 GLN H H 1 8.636 . . 1 . . . . 10 GLN HN . 6571 1 7 . 1 1 10 10 GLN HA H 1 4.003 . . 1 . . . . 10 GLN HA . 6571 1 8 . 1 1 10 10 GLN HB2 H 1 2.181 . . 2 . . . . 10 GLN HB2 . 6571 1 9 . 1 1 10 10 GLN HG2 H 1 2.411 . . 2 . . . . 10 GLN HG1 . 6571 1 10 . 1 1 10 10 GLN HG3 H 1 2.450 . . 2 . . . . 10 GLN HG2 . 6571 1 11 . 1 1 10 10 GLN HE21 H 1 6.792 . . 2 . . . . 10 GLN HE21 . 6571 1 12 . 1 1 10 10 GLN HE22 H 1 7.950 . . 2 . . . . 10 GLN HE22 . 6571 1 13 . 1 1 10 10 GLN C C 13 176.938 . . 1 . . . . 10 GLN C . 6571 1 14 . 1 1 10 10 GLN CA C 13 58.160 . . 1 . . . . 10 GLN CA . 6571 1 15 . 1 1 10 10 GLN CB C 13 41.780 . . 1 . . . . 10 GLN CB . 6571 1 16 . 1 1 10 10 GLN CG C 13 33.350 . . 1 . . . . 10 GLN CG . 6571 1 17 . 1 1 10 10 GLN N N 15 122.218 . . 1 . . . . 10 GLN N . 6571 1 18 . 1 1 10 10 GLN NE2 N 15 113.933 . . 1 . . . . 10 GLN NE2 . 6571 1 19 . 1 1 11 11 THR H H 1 8.178 . . 1 . . . . 11 THR HN . 6571 1 20 . 1 1 11 11 THR HA H 1 4.127 . . 1 . . . . 11 THR HA . 6571 1 21 . 1 1 11 11 THR HB H 1 4.276 . . 1 . . . . 11 THR HB . 6571 1 22 . 1 1 11 11 THR HG21 H 1 1.237 . . 1 . . . . 11 THR HG21 . 6571 1 23 . 1 1 11 11 THR HG22 H 1 1.237 . . 1 . . . . 11 THR HG21 . 6571 1 24 . 1 1 11 11 THR HG23 H 1 1.237 . . 1 . . . . 11 THR HG21 . 6571 1 25 . 1 1 11 11 THR C C 13 176.528 . . 1 . . . . 11 THR C . 6571 1 26 . 1 1 11 11 THR CA C 13 65.850 . . 1 . . . . 11 THR CA . 6571 1 27 . 1 1 11 11 THR CB C 13 68.501 . . 1 . . . . 11 THR CB . 6571 1 28 . 1 1 11 11 THR CG2 C 13 21.827 . . 1 . . . . 11 THR CG2 . 6571 1 29 . 1 1 11 11 THR N N 15 114.010 . . 1 . . . . 11 THR N . 6571 1 30 . 1 1 12 12 GLU H H 1 8.020 . . 1 . . . . 12 GLU HN . 6571 1 31 . 1 1 12 12 GLU HA H 1 4.064 . . 1 . . . . 12 GLU HA . 6571 1 32 . 1 1 12 12 GLU HB2 H 1 2.065 . . 2 . . . . 12 GLU HB1 . 6571 1 33 . 1 1 12 12 GLU HG2 H 1 2.309 . . 2 . . . . 12 GLU HG1 . 6571 1 34 . 1 1 12 12 GLU C C 13 178.656 . . 1 . . . . 12 GLU C . 6571 1 35 . 1 1 12 12 GLU CA C 13 58.730 . . 1 . . . . 12 GLU CA . 6571 1 36 . 1 1 12 12 GLU CB C 13 29.470 . . 1 . . . . 12 GLU CB . 6571 1 37 . 1 1 12 12 GLU CG C 13 35.957 . . 1 . . . . 12 GLU CG . 6571 1 38 . 1 1 12 12 GLU N N 15 121.056 . . 1 . . . . 12 GLU N . 6571 1 39 . 1 1 13 13 MET H H 1 8.125 . . 1 . . . . 13 MET HN . 6571 1 40 . 1 1 13 13 MET HA H 1 4.222 . . 1 . . . . 13 MET HA . 6571 1 41 . 1 1 13 13 MET HB2 H 1 2.150 . . 2 . . . . 13 MET HB1 . 6571 1 42 . 1 1 13 13 MET HB3 H 1 2.614 . . 2 . . . . 13 MET HB2 . 6571 1 43 . 1 1 13 13 MET HG2 H 1 2.614 . . 2 . . . . 13 MET HG1 . 6571 1 44 . 1 1 13 13 MET C C 13 178.293 . . 1 . . . . 13 MET C . 6571 1 45 . 1 1 13 13 MET CA C 13 58.116 . . 1 . . . . 13 MET CA . 6571 1 46 . 1 1 13 13 MET CB C 13 31.970 . . 1 . . . . 13 MET CB . 6571 1 47 . 1 1 13 13 MET CG C 13 31.970 . . 1 . . . . 13 MET CG . 6571 1 48 . 1 1 13 13 MET N N 15 119.193 . . 1 . . . . 13 MET N . 6571 1 49 . 1 1 14 14 ASP H H 1 8.679 . . 1 . . . . 14 ASP HN . 6571 1 50 . 1 1 14 14 ASP HA H 1 4.506 . . 1 . . . . 14 ASP HA . 6571 1 51 . 1 1 14 14 ASP HB2 H 1 2.892 . . 2 . . . . 14 ASP HB1 . 6571 1 52 . 1 1 14 14 ASP HB3 H 1 2.510 . . 2 . . . . 14 ASP HB2 . 6571 1 53 . 1 1 14 14 ASP C C 13 178.675 . . 1 . . . . 14 ASP C . 6571 1 54 . 1 1 14 14 ASP CA C 13 57.690 . . 1 . . . . 14 ASP CA . 6571 1 55 . 1 1 14 14 ASP CB C 13 40.120 . . 1 . . . . 14 ASP CB . 6571 1 56 . 1 1 14 14 ASP N N 15 120.260 . . 1 . . . . 14 ASP N . 6571 1 57 . 1 1 15 15 LYS H H 1 7.861 . . 1 . . . . 15 LYS HN . 6571 1 58 . 1 1 15 15 LYS HA H 1 3.774 . . 1 . . . . 15 LYS HA . 6571 1 59 . 1 1 15 15 LYS HB2 H 1 1.836 . . 2 . . . . 15 LYS HB1 . 6571 1 60 . 1 1 15 15 LYS HB3 H 1 1.728 . . 2 . . . . 15 LYS HB2 . 6571 1 61 . 1 1 15 15 LYS HE2 H 1 1.716 . . 2 . . . . 15 LYS HE1 . 6571 1 62 . 1 1 15 15 LYS C C 13 180.180 . . 1 . . . . 15 LYS C . 6571 1 63 . 1 1 15 15 LYS CA C 13 60.931 . . 1 . . . . 15 LYS CA . 6571 1 64 . 1 1 15 15 LYS CB C 13 32.490 . . 1 . . . . 15 LYS CB . 6571 1 65 . 1 1 15 15 LYS CD C 13 28.994 . . 1 . . . . 15 LYS CD . 6571 1 66 . 1 1 15 15 LYS CE C 13 40.835 . . 1 . . . . 15 LYS CE . 6571 1 67 . 1 1 15 15 LYS N N 15 118.510 . . 1 . . . . 15 LYS N . 6571 1 68 . 1 1 16 16 VAL H H 1 8.096 . . 1 . . . . 16 VAL HN . 6571 1 69 . 1 1 16 16 VAL HA H 1 3.955 . . 1 . . . . 16 VAL HA . 6571 1 70 . 1 1 16 16 VAL HB H 1 2.441 . . 1 . . . . 16 VAL HB . 6571 1 71 . 1 1 16 16 VAL HG11 H 1 1.180 . . 4 . . . . 16 VAL HG11 . 6571 1 72 . 1 1 16 16 VAL HG12 H 1 1.180 . . 4 . . . . 16 VAL HG11 . 6571 1 73 . 1 1 16 16 VAL HG13 H 1 1.180 . . 4 . . . . 16 VAL HG11 . 6571 1 74 . 1 1 16 16 VAL HG21 H 1 1.014 . . 4 . . . . 16 VAL HG21 . 6571 1 75 . 1 1 16 16 VAL HG22 H 1 1.014 . . 4 . . . . 16 VAL HG21 . 6571 1 76 . 1 1 16 16 VAL HG23 H 1 1.014 . . 4 . . . . 16 VAL HG21 . 6571 1 77 . 1 1 16 16 VAL C C 13 178.018 . . 1 . . . . 16 VAL C . 6571 1 78 . 1 1 16 16 VAL CA C 13 66.604 . . 1 . . . . 16 VAL CA . 6571 1 79 . 1 1 16 16 VAL CB C 13 31.880 . . 1 . . . . 16 VAL CB . 6571 1 80 . 1 1 16 16 VAL CG1 C 13 22.713 . . 2 . . . . 16 VAL CG1 . 6571 1 81 . 1 1 16 16 VAL CG2 C 13 20.847 . . 2 . . . . 16 VAL CG2 . 6571 1 82 . 1 1 16 16 VAL N N 15 122.181 . . 1 . . . . 16 VAL N . 6571 1 83 . 1 1 17 17 ASN H H 1 8.324 . . 1 . . . . 17 ASN HN . 6571 1 84 . 1 1 17 17 ASN HA H 1 4.630 . . 1 . . . . 17 ASN HA . 6571 1 85 . 1 1 17 17 ASN HB2 H 1 2.867 . . 2 . . . . 17 ASN HB1 . 6571 1 86 . 1 1 17 17 ASN HB3 H 1 3.076 . . 2 . . . . 17 ASN HB2 . 6571 1 87 . 1 1 17 17 ASN HD21 H 1 7.879 . . 2 . . . . 17 ASN HD21 . 6571 1 88 . 1 1 17 17 ASN HD22 H 1 6.832 . . 2 . . . . 17 ASN HD22 . 6571 1 89 . 1 1 17 17 ASN C C 13 178.743 . . 1 . . . . 17 ASN C . 6571 1 90 . 1 1 17 17 ASN CA C 13 56.560 . . 1 . . . . 17 ASN CA . 6571 1 91 . 1 1 17 17 ASN CB C 13 37.871 . . 1 . . . . 17 ASN CB . 6571 1 92 . 1 1 17 17 ASN N N 15 119.213 . . 1 . . . . 17 ASN N . 6571 1 93 . 1 1 17 17 ASN ND2 N 15 110.925 . . 1 . . . . 17 ASN ND2 . 6571 1 94 . 1 1 18 18 VAL H H 1 8.651 . . 1 . . . . 18 VAL HN . 6571 1 95 . 1 1 18 18 VAL HA H 1 4.020 . . 1 . . . . 18 VAL HA . 6571 1 96 . 1 1 18 18 VAL HB H 1 1.543 . . 1 . . . . 18 VAL HB . 6571 1 97 . 1 1 18 18 VAL HG21 H 1 0.928 . . 2 . . . . 18 VAL HG21 . 6571 1 98 . 1 1 18 18 VAL HG22 H 1 0.928 . . 2 . . . . 18 VAL HG21 . 6571 1 99 . 1 1 18 18 VAL HG23 H 1 0.928 . . 2 . . . . 18 VAL HG21 . 6571 1 100 . 1 1 18 18 VAL C C 13 177.441 . . 1 . . . . 18 VAL C . 6571 1 101 . 1 1 18 18 VAL CA C 13 66.430 . . 1 . . . . 18 VAL CA . 6571 1 102 . 1 1 18 18 VAL CB C 13 32.415 . . 1 . . . . 18 VAL CB . 6571 1 103 . 1 1 18 18 VAL N N 15 121.890 . . 1 . . . . 18 VAL N . 6571 1 104 . 1 1 19 19 ASP H H 1 8.374 . . 1 . . . . 19 ASP HN . 6571 1 105 . 1 1 19 19 ASP HA H 1 4.295 . . 1 . . . . 19 ASP HA . 6571 1 106 . 1 1 19 19 ASP HB2 H 1 2.975 . . 2 . . . . 19 ASP HB1 . 6571 1 107 . 1 1 19 19 ASP HB3 H 1 3.313 . . 2 . . . . 19 ASP HB2 . 6571 1 108 . 1 1 19 19 ASP C C 13 177.694 . . 1 . . . . 19 ASP C . 6571 1 109 . 1 1 19 19 ASP CA C 13 58.249 . . 1 . . . . 19 ASP CA . 6571 1 110 . 1 1 19 19 ASP CB C 13 42.773 . . 1 . . . . 19 ASP CB . 6571 1 111 . 1 1 19 19 ASP N N 15 121.174 . . 1 . . . . 19 ASP N . 6571 1 112 . 1 1 20 20 LEU H H 1 8.440 . . 1 . . . . 20 LEU HN . 6571 1 113 . 1 1 20 20 LEU HA H 1 3.941 . . 1 . . . . 20 LEU HA . 6571 1 114 . 1 1 20 20 LEU HB2 H 1 2.031 . . 2 . . . . 20 LEU HB1 . 6571 1 115 . 1 1 20 20 LEU HD11 H 1 0.931 . . 2 . . . . 20 LEU HD11 . 6571 1 116 . 1 1 20 20 LEU HD12 H 1 0.931 . . 2 . . . . 20 LEU HD11 . 6571 1 117 . 1 1 20 20 LEU HD13 H 1 0.931 . . 2 . . . . 20 LEU HD11 . 6571 1 118 . 1 1 20 20 LEU C C 13 180.297 . . 1 . . . . 20 LEU C . 6571 1 119 . 1 1 20 20 LEU CA C 13 57.925 . . 1 . . . . 20 LEU CA . 6571 1 120 . 1 1 20 20 LEU CB C 13 41.573 . . 1 . . . . 20 LEU CB . 6571 1 121 . 1 1 20 20 LEU CG C 13 27.135 . . 1 . . . . 20 LEU CG . 6571 1 122 . 1 1 20 20 LEU CD1 C 13 24.950 . . 1 . . . . 20 LEU CD1 . 6571 1 123 . 1 1 20 20 LEU N N 15 117.952 . . 1 . . . . 20 LEU N . 6571 1 124 . 1 1 21 21 ALA H H 1 8.113 . . 1 . . . . 21 ALA HN . 6571 1 125 . 1 1 21 21 ALA HA H 1 4.218 . . 1 . . . . 21 ALA HA . 6571 1 126 . 1 1 21 21 ALA HB1 H 1 1.671 . . 1 . . . . 21 ALA HB1 . 6571 1 127 . 1 1 21 21 ALA HB2 H 1 1.671 . . 1 . . . . 21 ALA HB1 . 6571 1 128 . 1 1 21 21 ALA HB3 H 1 1.671 . . 1 . . . . 21 ALA HB1 . 6571 1 129 . 1 1 21 21 ALA C C 13 180.435 . . 1 . . . . 21 ALA C . 6571 1 130 . 1 1 21 21 ALA CA C 13 55.070 . . 1 . . . . 21 ALA CA . 6571 1 131 . 1 1 21 21 ALA CB C 13 17.623 . . 1 . . . . 21 ALA CB . 6571 1 132 . 1 1 21 21 ALA N N 15 123.736 . . 1 . . . . 21 ALA N . 6571 1 133 . 1 1 22 22 ALA H H 1 8.338 . . 1 . . . . 22 ALA HN . 6571 1 134 . 1 1 22 22 ALA HA H 1 3.707 . . 1 . . . . 22 ALA HA . 6571 1 135 . 1 1 22 22 ALA HB1 H 1 1.046 . . 1 . . . . 22 ALA HB1 . 6571 1 136 . 1 1 22 22 ALA HB2 H 1 1.046 . . 1 . . . . 22 ALA HB1 . 6571 1 137 . 1 1 22 22 ALA HB3 H 1 1.046 . . 1 . . . . 22 ALA HB1 . 6571 1 138 . 1 1 22 22 ALA C C 13 178.586 . . 1 . . . . 22 ALA C . 6571 1 139 . 1 1 22 22 ALA CA C 13 55.329 . . 1 . . . . 22 ALA CA . 6571 1 140 . 1 1 22 22 ALA CB C 13 17.608 . . 1 . . . . 22 ALA CB . 6571 1 141 . 1 1 22 22 ALA N N 15 122.494 . . 1 . . . . 22 ALA N . 6571 1 142 . 1 1 23 23 ALA H H 1 8.510 . . 1 . . . . 23 ALA HN . 6571 1 143 . 1 1 23 23 ALA HA H 1 3.235 . . 1 . . . . 23 ALA HA . 6571 1 144 . 1 1 23 23 ALA HB1 H 1 0.699 . . 1 . . . . 23 ALA HB1 . 6571 1 145 . 1 1 23 23 ALA HB2 H 1 0.699 . . 1 . . . . 23 ALA HB1 . 6571 1 146 . 1 1 23 23 ALA HB3 H 1 0.699 . . 1 . . . . 23 ALA HB1 . 6571 1 147 . 1 1 23 23 ALA C C 13 178.774 . . 1 . . . . 23 ALA C . 6571 1 148 . 1 1 23 23 ALA CA C 13 55.340 . . 1 . . . . 23 ALA CA . 6571 1 149 . 1 1 23 23 ALA CB C 13 16.690 . . 1 . . . . 23 ALA CB . 6571 1 150 . 1 1 23 23 ALA N N 15 121.183 . . 1 . . . . 23 ALA N . 6571 1 151 . 1 1 24 24 GLY H H 1 8.250 . . 1 . . . . 24 GLY HN . 6571 1 152 . 1 1 24 24 GLY HA2 H 1 3.929 . . 2 . . . . 24 GLY HA1 . 6571 1 153 . 1 1 24 24 GLY HA3 H 1 3.796 . . 2 . . . . 24 GLY HA2 . 6571 1 154 . 1 1 24 24 GLY C C 13 176.047 . . 1 . . . . 24 GLY C . 6571 1 155 . 1 1 24 24 GLY CA C 13 47.070 . . 1 . . . . 24 GLY CA . 6571 1 156 . 1 1 24 24 GLY N N 15 105.887 . . 1 . . . . 24 GLY N . 6571 1 157 . 1 1 25 25 VAL H H 1 7.735 . . 1 . . . . 25 VAL HN . 6571 1 158 . 1 1 25 25 VAL HA H 1 3.667 . . 1 . . . . 25 VAL HA . 6571 1 159 . 1 1 25 25 VAL HB H 1 2.344 . . 1 . . . . 25 VAL HB . 6571 1 160 . 1 1 25 25 VAL HG11 H 1 1.317 . . 4 . . . . 25 VAL HG11 . 6571 1 161 . 1 1 25 25 VAL HG12 H 1 1.317 . . 4 . . . . 25 VAL HG11 . 6571 1 162 . 1 1 25 25 VAL HG13 H 1 1.317 . . 4 . . . . 25 VAL HG11 . 6571 1 163 . 1 1 25 25 VAL HG21 H 1 0.946 . . 2 . . . . 25 VAL HG21 . 6571 1 164 . 1 1 25 25 VAL HG22 H 1 0.946 . . 2 . . . . 25 VAL HG21 . 6571 1 165 . 1 1 25 25 VAL HG23 H 1 0.946 . . 2 . . . . 25 VAL HG21 . 6571 1 166 . 1 1 25 25 VAL C C 13 176.869 . . 1 . . . . 25 VAL C . 6571 1 167 . 1 1 25 25 VAL CA C 13 66.861 . . 1 . . . . 25 VAL CA . 6571 1 168 . 1 1 25 25 VAL CB C 13 31.163 . . 1 . . . . 25 VAL CB . 6571 1 169 . 1 1 25 25 VAL CG1 C 13 23.866 . . 1 . . . . 25 VAL CG1 . 6571 1 170 . 1 1 25 25 VAL CG2 C 13 22.611 . . 1 . . . . 25 VAL CG2 . 6571 1 171 . 1 1 25 25 VAL N N 15 122.369 . . 1 . . . . 25 VAL N . 6571 1 172 . 1 1 26 26 ALA H H 1 7.859 . . 1 . . . . 26 ALA HN . 6571 1 173 . 1 1 26 26 ALA HA H 1 4.160 . . 1 . . . . 26 ALA HA . 6571 1 174 . 1 1 26 26 ALA HB1 H 1 1.377 . . 1 . . . . 26 ALA HB1 . 6571 1 175 . 1 1 26 26 ALA HB2 H 1 1.377 . . 1 . . . . 26 ALA HB1 . 6571 1 176 . 1 1 26 26 ALA HB3 H 1 1.377 . . 1 . . . . 26 ALA HB1 . 6571 1 177 . 1 1 26 26 ALA C C 13 179.796 . . 1 . . . . 26 ALA C . 6571 1 178 . 1 1 26 26 ALA CA C 13 54.810 . . 1 . . . . 26 ALA CA . 6571 1 179 . 1 1 26 26 ALA CB C 13 18.490 . . 1 . . . . 26 ALA CB . 6571 1 180 . 1 1 26 26 ALA N N 15 120.429 . . 1 . . . . 26 ALA N . 6571 1 181 . 1 1 27 27 PHE H H 1 8.443 . . 1 . . . . 27 PHE HN . 6571 1 182 . 1 1 27 27 PHE HA H 1 4.093 . . 1 . . . . 27 PHE HA . 6571 1 183 . 1 1 27 27 PHE HB2 H 1 3.300 . . 2 . . . . 27 PHE HB1 . 6571 1 184 . 1 1 27 27 PHE HB3 H 1 3.230 . . 2 . . . . 27 PHE HB2 . 6571 1 185 . 1 1 27 27 PHE HD1 H 1 7.193 . . 3 . . . . 27 PHE HD1 . 6571 1 186 . 1 1 27 27 PHE HE1 H 1 7.193 . . 3 . . . . 27 PHE HE1 . 6571 1 187 . 1 1 27 27 PHE C C 13 177.164 . . 1 . . . . 27 PHE C . 6571 1 188 . 1 1 27 27 PHE CA C 13 61.720 . . 1 . . . . 27 PHE CA . 6571 1 189 . 1 1 27 27 PHE CB C 13 39.389 . . 1 . . . . 27 PHE CB . 6571 1 190 . 1 1 27 27 PHE CD1 C 13 131.496 . . 3 . . . . 27 PHE CD1 . 6571 1 191 . 1 1 27 27 PHE CE1 C 13 131.496 . . 3 . . . . 27 PHE CE1 . 6571 1 192 . 1 1 27 27 PHE N N 15 119.032 . . 1 . . . . 27 PHE N . 6571 1 193 . 1 1 28 28 LYS H H 1 7.996 . . 1 . . . . 28 LYS HN . 6571 1 194 . 1 1 28 28 LYS HA H 1 3.989 . . 1 . . . . 28 LYS HA . 6571 1 195 . 1 1 28 28 LYS HB2 H 1 2.026 . . 2 . . . . 28 LYS HB1 . 6571 1 196 . 1 1 28 28 LYS C C 13 179.073 . . 1 . . . . 28 LYS C . 6571 1 197 . 1 1 28 28 LYS CA C 13 61.043 . . 1 . . . . 28 LYS CA . 6571 1 198 . 1 1 28 28 LYS CB C 13 32.393 . . 1 . . . . 28 LYS CB . 6571 1 199 . 1 1 28 28 LYS N N 15 118.615 . . 1 . . . . 28 LYS N . 6571 1 200 . 1 1 29 29 GLU H H 1 8.574 . . 1 . . . . 29 GLU HN . 6571 1 201 . 1 1 29 29 GLU HA H 1 4.063 . . 1 . . . . 29 GLU HA . 6571 1 202 . 1 1 29 29 GLU HB2 H 1 2.177 . . 2 . . . . 29 GLU HB1 . 6571 1 203 . 1 1 29 29 GLU HG2 H 1 2.635 . . 2 . . . . 29 GLU HG1 . 6571 1 204 . 1 1 29 29 GLU HG3 H 1 2.294 . . 2 . . . . 29 GLU HG2 . 6571 1 205 . 1 1 29 29 GLU C C 13 180.598 . . 1 . . . . 29 GLU C . 6571 1 206 . 1 1 29 29 GLU CA C 13 58.856 . . 1 . . . . 29 GLU CA . 6571 1 207 . 1 1 29 29 GLU CB C 13 30.040 . . 1 . . . . 29 GLU CB . 6571 1 208 . 1 1 29 29 GLU CG C 13 37.716 . . 1 . . . . 29 GLU CG . 6571 1 209 . 1 1 29 29 GLU N N 15 117.374 . . 1 . . . . 29 GLU N . 6571 1 210 . 1 1 30 30 ARG H H 1 8.000 . . 1 . . . . 30 ARG HN . 6571 1 211 . 1 1 30 30 ARG HA H 1 3.893 . . 1 . . . . 30 ARG HA . 6571 1 212 . 1 1 30 30 ARG HB2 H 1 1.782 . . 2 . . . . 30 ARG HB1 . 6571 1 213 . 1 1 30 30 ARG HB3 H 1 1.722 . . 2 . . . . 30 ARG HB2 . 6571 1 214 . 1 1 30 30 ARG HG2 H 1 1.150 . . 2 . . . . 30 ARG HG1 . 6571 1 215 . 1 1 30 30 ARG HG3 H 1 1.056 . . 2 . . . . 30 ARG HG2 . 6571 1 216 . 1 1 30 30 ARG HD2 H 1 3.013 . . 2 . . . . 30 ARG HD1 . 6571 1 217 . 1 1 30 30 ARG HD3 H 1 2.863 . . 2 . . . . 30 ARG HD2 . 6571 1 218 . 1 1 30 30 ARG C C 13 176.774 . . 1 . . . . 30 ARG C . 6571 1 219 . 1 1 30 30 ARG CA C 13 57.840 . . 1 . . . . 30 ARG CA . 6571 1 220 . 1 1 30 30 ARG CB C 13 29.230 . . 1 . . . . 30 ARG CB . 6571 1 221 . 1 1 30 30 ARG CG C 13 26.346 . . 1 . . . . 30 ARG CG . 6571 1 222 . 1 1 30 30 ARG CD C 13 43.023 . . 1 . . . . 30 ARG CD . 6571 1 223 . 1 1 30 30 ARG N N 15 119.989 . . 1 . . . . 30 ARG N . 6571 1 224 . 1 1 31 31 TYR H H 1 7.347 . . 1 . . . . 31 TYR HN . 6571 1 225 . 1 1 31 31 TYR HA H 1 4.432 . . 1 . . . . 31 TYR HA . 6571 1 226 . 1 1 31 31 TYR HB2 H 1 3.301 . . 2 . . . . 31 TYR HB1 . 6571 1 227 . 1 1 31 31 TYR HB3 H 1 2.265 . . 2 . . . . 31 TYR HB2 . 6571 1 228 . 1 1 31 31 TYR HD1 H 1 6.726 . . 3 . . . . 31 TYR HD1 . 6571 1 229 . 1 1 31 31 TYR HE1 H 1 6.466 . . 3 . . . . 31 TYR HE1 . 6571 1 230 . 1 1 31 31 TYR C C 13 173.985 . . 1 . . . . 31 TYR C . 6571 1 231 . 1 1 31 31 TYR CA C 13 58.418 . . 1 . . . . 31 TYR CA . 6571 1 232 . 1 1 31 31 TYR CB C 13 37.391 . . 1 . . . . 31 TYR CB . 6571 1 233 . 1 1 31 31 TYR CD1 C 13 132.956 . . 3 . . . . 31 TYR CD1 . 6571 1 234 . 1 1 31 31 TYR CE1 C 13 117.623 . . 3 . . . . 31 TYR CE1 . 6571 1 235 . 1 1 31 31 TYR N N 15 114.669 . . 1 . . . . 31 TYR N . 6571 1 236 . 1 1 32 32 ASN H H 1 7.838 . . 1 . . . . 32 ASN HN . 6571 1 237 . 1 1 32 32 ASN HA H 1 4.365 . . 1 . . . . 32 ASN HA . 6571 1 238 . 1 1 32 32 ASN HB2 H 1 2.714 . . 2 . . . . 32 ASN HB1 . 6571 1 239 . 1 1 32 32 ASN HB3 H 1 3.139 . . 2 . . . . 32 ASN HB2 . 6571 1 240 . 1 1 32 32 ASN HD21 H 1 7.531 . . 2 . . . . 32 ASN HD21 . 6571 1 241 . 1 1 32 32 ASN HD22 H 1 6.775 . . 2 . . . . 32 ASN HD22 . 6571 1 242 . 1 1 32 32 ASN CA C 13 54.460 . . 1 . . . . 32 ASN CA . 6571 1 243 . 1 1 32 32 ASN CB C 13 37.270 . . 1 . . . . 32 ASN CB . 6571 1 244 . 1 1 32 32 ASN N N 15 115.323 . . 1 . . . . 32 ASN N . 6571 1 245 . 1 1 32 32 ASN ND2 N 15 110.681 . . 1 . . . . 32 ASN ND2 . 6571 1 246 . 1 1 33 33 MET H H 1 8.693 . . 1 . . . . 33 MET HN . 6571 1 247 . 1 1 33 33 MET HA H 1 4.359 . . 1 . . . . 33 MET HA . 6571 1 248 . 1 1 33 33 MET CA C 13 53.328 . . 1 . . . . 33 MET CA . 6571 1 249 . 1 1 33 33 MET CB C 13 33.117 . . 1 . . . . 33 MET CB . 6571 1 250 . 1 1 33 33 MET N N 15 118.137 . . 1 . . . . 33 MET N . 6571 1 251 . 1 1 34 34 PRO HA H 1 4.037 . . 1 . . . . 34 PRO HA . 6571 1 252 . 1 1 34 34 PRO HB2 H 1 2.279 . . 2 . . . . 34 PRO HB1 . 6571 1 253 . 1 1 34 34 PRO HG2 H 1 2.012 . . 2 . . . . 34 PRO HG1 . 6571 1 254 . 1 1 34 34 PRO HD2 H 1 2.896 . . 2 . . . . 34 PRO HD1 . 6571 1 255 . 1 1 34 34 PRO HD3 H 1 2.507 . . 2 . . . . 34 PRO HD2 . 6571 1 256 . 1 1 34 34 PRO C C 13 178.507 . . 1 . . . . 34 PRO C . 6571 1 257 . 1 1 34 34 PRO CA C 13 59.033 . . 1 . . . . 34 PRO CA . 6571 1 258 . 1 1 34 34 PRO CB C 13 36.019 . . 1 . . . . 34 PRO CB . 6571 1 259 . 1 1 34 34 PRO CG C 13 26.953 . . 1 . . . . 34 PRO CG . 6571 1 260 . 1 1 34 34 PRO CD C 13 40.133 . . 1 . . . . 34 PRO CD . 6571 1 261 . 1 1 35 35 VAL H H 1 7.929 . . 1 . . . . 35 VAL HN . 6571 1 262 . 1 1 35 35 VAL HA H 1 4.243 . . 1 . . . . 35 VAL HA . 6571 1 263 . 1 1 35 35 VAL HB H 1 2.346 . . 1 . . . . 35 VAL HB . 6571 1 264 . 1 1 35 35 VAL HG11 H 1 1.021 . . 4 . . . . 35 VAL HG11 . 6571 1 265 . 1 1 35 35 VAL HG12 H 1 1.021 . . 4 . . . . 35 VAL HG11 . 6571 1 266 . 1 1 35 35 VAL HG13 H 1 1.021 . . 4 . . . . 35 VAL HG11 . 6571 1 267 . 1 1 35 35 VAL HG21 H 1 1.015 . . 2 . . . . 35 VAL HG21 . 6571 1 268 . 1 1 35 35 VAL HG22 H 1 1.015 . . 2 . . . . 35 VAL HG21 . 6571 1 269 . 1 1 35 35 VAL HG23 H 1 1.015 . . 2 . . . . 35 VAL HG21 . 6571 1 270 . 1 1 35 35 VAL C C 13 171.683 . . 1 . . . . 35 VAL C . 6571 1 271 . 1 1 35 35 VAL CA C 13 61.138 . . 1 . . . . 35 VAL CA . 6571 1 272 . 1 1 35 35 VAL CB C 13 32.477 . . 1 . . . . 35 VAL CB . 6571 1 273 . 1 1 35 35 VAL CG1 C 13 23.180 . . 2 . . . . 35 VAL CG1 . 6571 1 274 . 1 1 35 35 VAL CG2 C 13 19.363 . . 2 . . . . 35 VAL CG2 . 6571 1 275 . 1 1 35 35 VAL N N 15 118.617 . . 1 . . . . 35 VAL N . 6571 1 276 . 1 1 36 36 ILE H H 1 8.479 . . 1 . . . . 36 ILE HN . 6571 1 277 . 1 1 36 36 ILE HA H 1 4.449 . . 1 . . . . 36 ILE HA . 6571 1 278 . 1 1 36 36 ILE HB H 1 1.970 . . 1 . . . . 36 ILE HB . 6571 1 279 . 1 1 36 36 ILE HG12 H 1 1.496 . . 1 . . . . 36 ILE HG11 . 6571 1 280 . 1 1 36 36 ILE HG21 H 1 1.045 . . 1 . . . . 36 ILE HG21 . 6571 1 281 . 1 1 36 36 ILE HG22 H 1 1.045 . . 1 . . . . 36 ILE HG21 . 6571 1 282 . 1 1 36 36 ILE HG23 H 1 1.045 . . 1 . . . . 36 ILE HG21 . 6571 1 283 . 1 1 36 36 ILE HD11 H 1 1.165 . . 1 . . . . 36 ILE HD11 . 6571 1 284 . 1 1 36 36 ILE HD12 H 1 1.165 . . 1 . . . . 36 ILE HD11 . 6571 1 285 . 1 1 36 36 ILE HD13 H 1 1.165 . . 1 . . . . 36 ILE HD11 . 6571 1 286 . 1 1 36 36 ILE C C 13 176.868 . . 1 . . . . 36 ILE C . 6571 1 287 . 1 1 36 36 ILE CA C 13 59.611 . . 1 . . . . 36 ILE CA . 6571 1 288 . 1 1 36 36 ILE CB C 13 38.022 . . 1 . . . . 36 ILE CB . 6571 1 289 . 1 1 36 36 ILE CG1 C 13 26.748 . . 2 . . . . 36 ILE CG1 . 6571 1 290 . 1 1 36 36 ILE CG2 C 13 18.149 . . 2 . . . . 36 ILE CG2 . 6571 1 291 . 1 1 36 36 ILE CD1 C 13 12.689 . . 1 . . . . 36 ILE CD1 . 6571 1 292 . 1 1 36 36 ILE N N 15 126.901 . . 1 . . . . 36 ILE N . 6571 1 293 . 1 1 37 37 ALA H H 1 9.323 . . 1 . . . . 37 ALA HN . 6571 1 294 . 1 1 37 37 ALA HA H 1 3.902 . . 1 . . . . 37 ALA HA . 6571 1 295 . 1 1 37 37 ALA HB1 H 1 1.509 . . 1 . . . . 37 ALA HB1 . 6571 1 296 . 1 1 37 37 ALA HB2 H 1 1.509 . . 1 . . . . 37 ALA HB1 . 6571 1 297 . 1 1 37 37 ALA HB3 H 1 1.509 . . 1 . . . . 37 ALA HB1 . 6571 1 298 . 1 1 37 37 ALA C C 13 179.151 . . 1 . . . . 37 ALA C . 6571 1 299 . 1 1 37 37 ALA CA C 13 56.946 . . 1 . . . . 37 ALA CA . 6571 1 300 . 1 1 37 37 ALA CB C 13 18.670 . . 1 . . . . 37 ALA CB . 6571 1 301 . 1 1 37 37 ALA N N 15 132.061 . . 1 . . . . 37 ALA N . 6571 1 302 . 1 1 38 38 GLU H H 1 9.600 . . 1 . . . . 38 GLU HN . 6571 1 303 . 1 1 38 38 GLU HA H 1 4.024 . . 1 . . . . 38 GLU HA . 6571 1 304 . 1 1 38 38 GLU HB2 H 1 1.959 . . 2 . . . . 38 GLU HB1 . 6571 1 305 . 1 1 38 38 GLU HB3 H 1 2.026 . . 2 . . . . 38 GLU HB2 . 6571 1 306 . 1 1 38 38 GLU HG2 H 1 2.398 . . 2 . . . . 38 GLU HG1 . 6571 1 307 . 1 1 38 38 GLU HG3 H 1 2.316 . . 2 . . . . 38 GLU HG2 . 6571 1 308 . 1 1 38 38 GLU C C 13 178.026 . . 1 . . . . 38 GLU C . 6571 1 309 . 1 1 38 38 GLU CA C 13 60.087 . . 1 . . . . 38 GLU CA . 6571 1 310 . 1 1 38 38 GLU CB C 13 29.280 . . 1 . . . . 38 GLU CB . 6571 1 311 . 1 1 38 38 GLU CG C 13 37.213 . . 1 . . . . 38 GLU CG . 6571 1 312 . 1 1 38 38 GLU N N 15 115.741 . . 1 . . . . 38 GLU N . 6571 1 313 . 1 1 39 39 ALA H H 1 7.276 . . 1 . . . . 39 ALA HN . 6571 1 314 . 1 1 39 39 ALA HA H 1 4.077 . . 1 . . . . 39 ALA HA . 6571 1 315 . 1 1 39 39 ALA HB1 H 1 1.519 . . 1 . . . . 39 ALA HB1 . 6571 1 316 . 1 1 39 39 ALA HB2 H 1 1.519 . . 1 . . . . 39 ALA HB1 . 6571 1 317 . 1 1 39 39 ALA HB3 H 1 1.519 . . 1 . . . . 39 ALA HB1 . 6571 1 318 . 1 1 39 39 ALA C C 13 179.488 . . 1 . . . . 39 ALA C . 6571 1 319 . 1 1 39 39 ALA CA C 13 54.390 . . 1 . . . . 39 ALA CA . 6571 1 320 . 1 1 39 39 ALA CB C 13 18.068 . . 1 . . . . 39 ALA CB . 6571 1 321 . 1 1 39 39 ALA N N 15 120.656 . . 1 . . . . 39 ALA N . 6571 1 322 . 1 1 40 40 VAL H H 1 7.349 . . 1 . . . . 40 VAL HN . 6571 1 323 . 1 1 40 40 VAL HA H 1 3.545 . . 1 . . . . 40 VAL HA . 6571 1 324 . 1 1 40 40 VAL HB H 1 2.105 . . 1 . . . . 40 VAL HB . 6571 1 325 . 1 1 40 40 VAL HG11 H 1 0.962 . . 4 . . . . 40 VAL HG11 . 6571 1 326 . 1 1 40 40 VAL HG12 H 1 0.962 . . 4 . . . . 40 VAL HG11 . 6571 1 327 . 1 1 40 40 VAL HG13 H 1 0.962 . . 4 . . . . 40 VAL HG11 . 6571 1 328 . 1 1 40 40 VAL C C 13 179.459 . . 1 . . . . 40 VAL C . 6571 1 329 . 1 1 40 40 VAL CA C 13 65.768 . . 1 . . . . 40 VAL CA . 6571 1 330 . 1 1 40 40 VAL CB C 13 31.340 . . 1 . . . . 40 VAL CB . 6571 1 331 . 1 1 40 40 VAL CG1 C 13 22.064 . . 2 . . . . 40 VAL CG1 . 6571 1 332 . 1 1 40 40 VAL N N 15 118.888 . . 1 . . . . 40 VAL N . 6571 1 333 . 1 1 41 41 GLU H H 1 8.308 . . 1 . . . . 41 GLU HN . 6571 1 334 . 1 1 41 41 GLU HB2 H 1 2.047 . . 2 . . . . 41 GLU HB1 . 6571 1 335 . 1 1 41 41 GLU HB3 H 1 1.855 . . 2 . . . . 41 GLU HB2 . 6571 1 336 . 1 1 41 41 GLU HG2 H 1 2.084 . . 2 . . . . 41 GLU HG1 . 6571 1 337 . 1 1 41 41 GLU HG3 H 1 2.435 . . 2 . . . . 41 GLU HG2 . 6571 1 338 . 1 1 41 41 GLU C C 13 178.153 . . 1 . . . . 41 GLU C . 6571 1 339 . 1 1 41 41 GLU CA C 13 59.960 . . 1 . . . . 41 GLU CA . 6571 1 340 . 1 1 41 41 GLU CB C 13 29.820 . . 1 . . . . 41 GLU CB . 6571 1 341 . 1 1 41 41 GLU CG C 13 36.507 . . 1 . . . . 41 GLU CG . 6571 1 342 . 1 1 41 41 GLU N N 15 122.813 . . 1 . . . . 41 GLU N . 6571 1 343 . 1 1 42 42 ARG H H 1 7.177 . . 1 . . . . 42 ARG HN . 6571 1 344 . 1 1 42 42 ARG HA H 1 3.808 . . 1 . . . . 42 ARG HA . 6571 1 345 . 1 1 42 42 ARG HB2 H 1 1.880 . . 2 . . . . 42 ARG HB1 . 6571 1 346 . 1 1 42 42 ARG HG2 H 1 1.655 . . 2 . . . . 42 ARG HG1 . 6571 1 347 . 1 1 42 42 ARG HD2 H 1 3.176 . . 2 . . . . 42 ARG HD1 . 6571 1 348 . 1 1 42 42 ARG C C 13 176.068 . . 1 . . . . 42 ARG C . 6571 1 349 . 1 1 42 42 ARG CA C 13 58.253 . . 1 . . . . 42 ARG CA . 6571 1 350 . 1 1 42 42 ARG CB C 13 30.080 . . 1 . . . . 42 ARG CB . 6571 1 351 . 1 1 42 42 ARG CG C 13 28.252 . . 1 . . . . 42 ARG CG . 6571 1 352 . 1 1 42 42 ARG CD C 13 43.342 . . 1 . . . . 42 ARG CD . 6571 1 353 . 1 1 42 42 ARG N N 15 114.381 . . 1 . . . . 42 ARG N . 6571 1 354 . 1 1 43 43 GLU H H 1 7.207 . . 1 . . . . 43 GLU HN . 6571 1 355 . 1 1 43 43 GLU HA H 1 4.137 . . 1 . . . . 43 GLU HA . 6571 1 356 . 1 1 43 43 GLU HG2 H 1 2.464 . . 2 . . . . 43 GLU HG1 . 6571 1 357 . 1 1 43 43 GLU HG3 H 1 2.193 . . 2 . . . . 43 GLU HG2 . 6571 1 358 . 1 1 43 43 GLU C C 13 176.864 . . 1 . . . . 43 GLU C . 6571 1 359 . 1 1 43 43 GLU CA C 13 56.521 . . 1 . . . . 43 GLU CA . 6571 1 360 . 1 1 43 43 GLU CB C 13 29.820 . . 1 . . . . 43 GLU CB . 6571 1 361 . 1 1 43 43 GLU CG C 13 36.368 . . 1 . . . . 43 GLU CG . 6571 1 362 . 1 1 43 43 GLU N N 15 115.507 . . 1 . . . . 43 GLU N . 6571 1 363 . 1 1 44 44 GLN H H 1 7.519 . . 1 . . . . 44 GLN HN . 6571 1 364 . 1 1 44 44 GLN HA H 1 4.463 . . 1 . . . . 44 GLN HA . 6571 1 365 . 1 1 44 44 GLN HB2 H 1 0.853 . . 2 . . . . 44 GLN HB1 . 6571 1 366 . 1 1 44 44 GLN HB3 H 1 1.676 . . 2 . . . . 44 GLN HB2 . 6571 1 367 . 1 1 44 44 GLN HG2 H 1 2.517 . . 2 . . . . 44 GLN HG1 . 6571 1 368 . 1 1 44 44 GLN HG3 H 1 2.067 . . 2 . . . . 44 GLN HG2 . 6571 1 369 . 1 1 44 44 GLN HE21 H 1 6.655 . . 2 . . . . 44 GLN HE21 . 6571 1 370 . 1 1 44 44 GLN HE22 H 1 6.719 . . 2 . . . . 44 GLN HE22 . 6571 1 371 . 1 1 44 44 GLN CA C 13 51.820 . . 1 . . . . 44 GLN CA . 6571 1 372 . 1 1 44 44 GLN CB C 13 25.320 . . 1 . . . . 44 GLN CB . 6571 1 373 . 1 1 44 44 GLN N N 15 116.961 . . 1 . . . . 44 GLN N . 6571 1 374 . 1 1 44 44 GLN NE2 N 15 112.436 . . 1 . . . . 44 GLN NE2 . 6571 1 375 . 1 1 45 45 PRO HA H 1 4.382 . . 1 . . . . 45 PRO HA . 6571 1 376 . 1 1 45 45 PRO HB2 H 1 1.556 . . 2 . . . . 45 PRO HB1 . 6571 1 377 . 1 1 45 45 PRO HB3 H 1 2.507 . . 2 . . . . 45 PRO HB2 . 6571 1 378 . 1 1 45 45 PRO HG2 H 1 2.123 . . 2 . . . . 45 PRO HG1 . 6571 1 379 . 1 1 45 45 PRO HG3 H 1 1.922 . . 2 . . . . 45 PRO HG2 . 6571 1 380 . 1 1 45 45 PRO HD2 H 1 3.876 . . 2 . . . . 45 PRO HD1 . 6571 1 381 . 1 1 45 45 PRO HD3 H 1 3.289 . . 2 . . . . 45 PRO HD2 . 6571 1 382 . 1 1 45 45 PRO C C 13 178.441 . . 1 . . . . 45 PRO C . 6571 1 383 . 1 1 45 45 PRO CA C 13 62.922 . . 1 . . . . 45 PRO CA . 6571 1 384 . 1 1 45 45 PRO CB C 13 32.332 . . 1 . . . . 45 PRO CB . 6571 1 385 . 1 1 45 45 PRO CG C 13 28.060 . . 1 . . . . 45 PRO CG . 6571 1 386 . 1 1 45 45 PRO CD C 13 49.821 . . 1 . . . . 45 PRO CD . 6571 1 387 . 1 1 46 46 GLU H H 1 9.170 . . 1 . . . . 46 GLU HN . 6571 1 388 . 1 1 46 46 GLU HA H 1 3.577 . . 1 . . . . 46 GLU HA . 6571 1 389 . 1 1 46 46 GLU HB2 H 1 2.168 . . 2 . . . . 46 GLU HB1 . 6571 1 390 . 1 1 46 46 GLU HG2 H 1 2.347 . . 2 . . . . 46 GLU HG1 . 6571 1 391 . 1 1 46 46 GLU C C 13 178.117 . . 1 . . . . 46 GLU C . 6571 1 392 . 1 1 46 46 GLU CA C 13 61.084 . . 1 . . . . 46 GLU CA . 6571 1 393 . 1 1 46 46 GLU CB C 13 32.330 . . 1 . . . . 46 GLU CB . 6571 1 394 . 1 1 46 46 GLU CG C 13 36.228 . . 1 . . . . 46 GLU CG . 6571 1 395 . 1 1 46 46 GLU N N 15 123.982 . . 1 . . . . 46 GLU N . 6571 1 396 . 1 1 47 47 HIS H H 1 8.609 . . 1 . . . . 47 HIS HN . 6571 1 397 . 1 1 47 47 HIS HA H 1 4.656 . . 1 . . . . 47 HIS HA . 6571 1 398 . 1 1 47 47 HIS HB2 H 1 3.363 . . 2 . . . . 47 HIS HB1 . 6571 1 399 . 1 1 47 47 HIS HB3 H 1 3.038 . . 2 . . . . 47 HIS HB2 . 6571 1 400 . 1 1 47 47 HIS HD2 H 1 6.909 . . 3 . . . . 47 HIS HD2 . 6571 1 401 . 1 1 47 47 HIS C C 13 175.771 . . 1 . . . . 47 HIS C . 6571 1 402 . 1 1 47 47 HIS CA C 13 58.040 . . 1 . . . . 47 HIS CA . 6571 1 403 . 1 1 47 47 HIS CB C 13 29.442 . . 1 . . . . 47 HIS CB . 6571 1 404 . 1 1 47 47 HIS CD2 C 13 117.750 . . 1 . . . . 47 HIS CD2 . 6571 1 405 . 1 1 47 47 HIS N N 15 113.642 . . 1 . . . . 47 HIS N . 6571 1 406 . 1 1 48 48 LEU H H 1 7.876 . . 1 . . . . 48 LEU HN . 6571 1 407 . 1 1 48 48 LEU HA H 1 4.910 . . 1 . . . . 48 LEU HA . 6571 1 408 . 1 1 48 48 LEU HB2 H 1 2.024 . . 2 . . . . 48 LEU HB1 . 6571 1 409 . 1 1 48 48 LEU HG H 1 1.312 . . 1 . . . . 48 LEU HG . 6571 1 410 . 1 1 48 48 LEU HD11 H 1 0.722 . . 2 . . . . 48 LEU HD11 . 6571 1 411 . 1 1 48 48 LEU HD12 H 1 0.722 . . 2 . . . . 48 LEU HD11 . 6571 1 412 . 1 1 48 48 LEU HD13 H 1 0.722 . . 2 . . . . 48 LEU HD11 . 6571 1 413 . 1 1 48 48 LEU C C 13 176.825 . . 1 . . . . 48 LEU C . 6571 1 414 . 1 1 48 48 LEU CA C 13 53.950 . . 1 . . . . 48 LEU CA . 6571 1 415 . 1 1 48 48 LEU CB C 13 43.674 . . 1 . . . . 48 LEU CB . 6571 1 416 . 1 1 48 48 LEU CG C 13 26.279 . . 1 . . . . 48 LEU CG . 6571 1 417 . 1 1 48 48 LEU CD1 C 13 22.761 . . 1 . . . . 48 LEU CD1 . 6571 1 418 . 1 1 48 48 LEU N N 15 119.568 . . 1 . . . . 48 LEU N . 6571 1 419 . 1 1 49 49 ARG H H 1 7.486 . . 1 . . . . 49 ARG HN . 6571 1 420 . 1 1 49 49 ARG HA H 1 3.978 . . 1 . . . . 49 ARG HA . 6571 1 421 . 1 1 49 49 ARG C C 13 177.749 . . 1 . . . . 49 ARG C . 6571 1 422 . 1 1 49 49 ARG CA C 13 61.391 . . 1 . . . . 49 ARG CA . 6571 1 423 . 1 1 49 49 ARG CB C 13 29.340 . . 1 . . . . 49 ARG CB . 6571 1 424 . 1 1 49 49 ARG N N 15 122.727 . . 1 . . . . 49 ARG N . 6571 1 425 . 1 1 50 50 SER H H 1 8.844 . . 1 . . . . 50 SER HN . 6571 1 426 . 1 1 50 50 SER HA H 1 4.223 . . 1 . . . . 50 SER HA . 6571 1 427 . 1 1 50 50 SER HB2 H 1 4.087 . . 2 . . . . 50 SER HB1 . 6571 1 428 . 1 1 50 50 SER HB3 H 1 4.055 . . 2 . . . . 50 SER HB2 . 6571 1 429 . 1 1 50 50 SER C C 13 176.644 . . 1 . . . . 50 SER C . 6571 1 430 . 1 1 50 50 SER CA C 13 61.710 . . 1 . . . . 50 SER CA . 6571 1 431 . 1 1 50 50 SER CB C 13 61.710 . . 1 . . . . 50 SER CB . 6571 1 432 . 1 1 50 50 SER N N 15 116.018 . . 1 . . . . 50 SER N . 6571 1 433 . 1 1 51 51 TRP H H 1 7.967 . . 1 . . . . 51 TRP HN . 6571 1 434 . 1 1 51 51 TRP HA H 1 4.594 . . 1 . . . . 51 TRP HA . 6571 1 435 . 1 1 51 51 TRP HB2 H 1 3.426 . . 2 . . . . 51 TRP HB1 . 6571 1 436 . 1 1 51 51 TRP HB3 H 1 3.365 . . 2 . . . . 51 TRP HB2 . 6571 1 437 . 1 1 51 51 TRP HD1 H 1 7.080 . . 1 . . . . 51 TRP HD1 . 6571 1 438 . 1 1 51 51 TRP HE1 H 1 10.345 . . 2 . . . . 51 TRP HE1 . 6571 1 439 . 1 1 51 51 TRP HE3 H 1 6.614 . . 3 . . . . 51 TRP HE3 . 6571 1 440 . 1 1 51 51 TRP HZ2 H 1 7.321 . . 3 . . . . 51 TRP HZ2 . 6571 1 441 . 1 1 51 51 TRP HZ3 H 1 7.674 . . 3 . . . . 51 TRP HZ3 . 6571 1 442 . 1 1 51 51 TRP HH2 H 1 7.225 . . 1 . . . . 51 TRP HH2 . 6571 1 443 . 1 1 51 51 TRP C C 13 176.470 . . 1 . . . . 51 TRP C . 6571 1 444 . 1 1 51 51 TRP CA C 13 60.009 . . 1 . . . . 51 TRP CA . 6571 1 445 . 1 1 51 51 TRP CB C 13 29.090 . . 1 . . . . 51 TRP CB . 6571 1 446 . 1 1 51 51 TRP CD1 C 13 125.845 . . 3 . . . . 51 TRP CD1 . 6571 1 447 . 1 1 51 51 TRP CE3 C 13 117.860 . . 3 . . . . 51 TRP CE3 . 6571 1 448 . 1 1 51 51 TRP CZ2 C 13 113.386 . . 3 . . . . 51 TRP CZ2 . 6571 1 449 . 1 1 51 51 TRP CZ3 C 13 121.567 . . 3 . . . . 51 TRP CZ3 . 6571 1 450 . 1 1 51 51 TRP CH2 C 13 122.596 . . 1 . . . . 51 TRP CH2 . 6571 1 451 . 1 1 51 51 TRP N N 15 124.827 . . 1 . . . . 51 TRP N . 6571 1 452 . 1 1 51 51 TRP NE1 N 15 127.073 . . 1 . . . . 51 TRP NE1 . 6571 1 453 . 1 1 52 52 PHE H H 1 8.663 . . 1 . . . . 52 PHE HN . 6571 1 454 . 1 1 52 52 PHE HA H 1 4.727 . . 1 . . . . 52 PHE HA . 6571 1 455 . 1 1 52 52 PHE HB2 H 1 3.641 . . 2 . . . . 52 PHE HB1 . 6571 1 456 . 1 1 52 52 PHE HB3 H 1 3.098 . . 2 . . . . 52 PHE HB2 . 6571 1 457 . 1 1 52 52 PHE HD1 H 1 7.254 . . 3 . . . . 52 PHE HD1 . 6571 1 458 . 1 1 52 52 PHE HE1 H 1 7.086 . . 3 . . . . 52 PHE HE1 . 6571 1 459 . 1 1 52 52 PHE CA C 13 62.650 . . 1 . . . . 52 PHE CA . 6571 1 460 . 1 1 52 52 PHE CB C 13 38.000 . . 1 . . . . 52 PHE CB . 6571 1 461 . 1 1 52 52 PHE CD1 C 13 131.464 . . 3 . . . . 52 PHE CD1 . 6571 1 462 . 1 1 52 52 PHE CE1 C 13 128.925 . . 3 . . . . 52 PHE CE1 . 6571 1 463 . 1 1 52 52 PHE N N 15 118.180 . . 1 . . . . 52 PHE N . 6571 1 464 . 1 1 53 53 ARG H H 1 8.143 . . 1 . . . . 53 ARG HN . 6571 1 465 . 1 1 53 53 ARG HA H 1 3.671 . . 1 . . . . 53 ARG HA . 6571 1 466 . 1 1 53 53 ARG HB2 H 1 1.860 . . 2 . . . . 53 ARG HB1 . 6571 1 467 . 1 1 53 53 ARG HG2 H 1 1.622 . . 2 . . . . 53 ARG HG1 . 6571 1 468 . 1 1 53 53 ARG HD2 H 1 3.412 . . 2 . . . . 53 ARG HD1 . 6571 1 469 . 1 1 53 53 ARG HD3 H 1 3.189 . . 2 . . . . 53 ARG HD2 . 6571 1 470 . 1 1 53 53 ARG C C 13 177.771 . . 1 . . . . 53 ARG C . 6571 1 471 . 1 1 53 53 ARG CA C 13 60.448 . . 1 . . . . 53 ARG CA . 6571 1 472 . 1 1 53 53 ARG CB C 13 30.310 . . 1 . . . . 53 ARG CB . 6571 1 473 . 1 1 53 53 ARG CG C 13 28.130 . . 1 . . . . 53 ARG CG . 6571 1 474 . 1 1 53 53 ARG CD C 13 43.474 . . 1 . . . . 53 ARG CD . 6571 1 475 . 1 1 53 53 ARG N N 15 117.808 . . 1 . . . . 53 ARG N . 6571 1 476 . 1 1 54 54 GLU H H 1 8.044 . . 1 . . . . 54 GLU HN . 6571 1 477 . 1 1 54 54 GLU HA H 1 3.828 . . 1 . . . . 54 GLU HA . 6571 1 478 . 1 1 54 54 GLU HB2 H 1 1.966 . . 2 . . . . 54 GLU HB1 . 6571 1 479 . 1 1 54 54 GLU HG2 H 1 2.089 . . 2 . . . . 54 GLU HG1 . 6571 1 480 . 1 1 54 54 GLU HG3 H 1 2.295 . . 2 . . . . 54 GLU HG2 . 6571 1 481 . 1 1 54 54 GLU C C 13 177.667 . . 1 . . . . 54 GLU C . 6571 1 482 . 1 1 54 54 GLU CA C 13 59.539 . . 1 . . . . 54 GLU CA . 6571 1 483 . 1 1 54 54 GLU CB C 13 29.850 . . 1 . . . . 54 GLU CB . 6571 1 484 . 1 1 54 54 GLU N N 15 118.128 . . 1 . . . . 54 GLU N . 6571 1 485 . 1 1 55 55 ARG H H 1 8.285 . . 1 . . . . 55 ARG HN . 6571 1 486 . 1 1 55 55 ARG HA H 1 3.536 . . 1 . . . . 55 ARG HA . 6571 1 487 . 1 1 55 55 ARG HB2 H 1 1.707 . . 2 . . . . 55 ARG HB1 . 6571 1 488 . 1 1 55 55 ARG HG2 H 1 0.650 . . 2 . . . . 55 ARG HG1 . 6571 1 489 . 1 1 55 55 ARG HD2 H 1 2.712 . . 2 . . . . 55 ARG HD1 . 6571 1 490 . 1 1 55 55 ARG CA C 13 55.057 . . 1 . . . . 55 ARG CA . 6571 1 491 . 1 1 55 55 ARG CB C 13 26.060 . . 1 . . . . 55 ARG CB . 6571 1 492 . 1 1 55 55 ARG CG C 13 22.281 . . 1 . . . . 55 ARG CG . 6571 1 493 . 1 1 55 55 ARG CD C 13 41.450 . . 1 . . . . 55 ARG CD . 6571 1 494 . 1 1 55 55 ARG N N 15 117.302 . . 1 . . . . 55 ARG N . 6571 1 495 . 1 1 56 56 LEU H H 1 8.737 . . 1 . . . . 56 LEU HN . 6571 1 496 . 1 1 56 56 LEU HA H 1 3.761 . . 1 . . . . 56 LEU HA . 6571 1 497 . 1 1 56 56 LEU HB2 H 1 1.813 . . 2 . . . . 56 LEU HB1 . 6571 1 498 . 1 1 56 56 LEU HG H 1 0.861 . . 1 . . . . 56 LEU HG . 6571 1 499 . 1 1 56 56 LEU HD11 H 1 0.741 . . 4 . . . . 56 LEU HD11 . 6571 1 500 . 1 1 56 56 LEU HD12 H 1 0.741 . . 4 . . . . 56 LEU HD11 . 6571 1 501 . 1 1 56 56 LEU HD13 H 1 0.741 . . 4 . . . . 56 LEU HD11 . 6571 1 502 . 1 1 56 56 LEU HD21 H 1 0.862 . . 4 . . . . 56 LEU HD21 . 6571 1 503 . 1 1 56 56 LEU HD22 H 1 0.862 . . 4 . . . . 56 LEU HD21 . 6571 1 504 . 1 1 56 56 LEU HD23 H 1 0.862 . . 4 . . . . 56 LEU HD21 . 6571 1 505 . 1 1 56 56 LEU C C 13 178.155 . . 1 . . . . 56 LEU C . 6571 1 506 . 1 1 56 56 LEU CA C 13 58.440 . . 1 . . . . 56 LEU CA . 6571 1 507 . 1 1 56 56 LEU CB C 13 41.040 . . 1 . . . . 56 LEU CB . 6571 1 508 . 1 1 56 56 LEU CG C 13 26.854 . . 1 . . . . 56 LEU CG . 6571 1 509 . 1 1 56 56 LEU CD1 C 13 26.681 . . 2 . . . . 56 LEU CD1 . 6571 1 510 . 1 1 56 56 LEU CD2 C 13 23.324 . . 2 . . . . 56 LEU CD2 . 6571 1 511 . 1 1 56 56 LEU N N 15 122.389 . . 1 . . . . 56 LEU N . 6571 1 512 . 1 1 57 57 ILE H H 1 7.676 . . 1 . . . . 57 ILE HN . 6571 1 513 . 1 1 57 57 ILE HA H 1 3.487 . . 1 . . . . 57 ILE HA . 6571 1 514 . 1 1 57 57 ILE HB H 1 1.863 . . 1 . . . . 57 ILE HB . 6571 1 515 . 1 1 57 57 ILE HG12 H 1 1.166 . . 1 . . . . 57 ILE HG11 . 6571 1 516 . 1 1 57 57 ILE HG21 H 1 0.857 . . 4 . . . . 57 ILE HG21 . 6571 1 517 . 1 1 57 57 ILE HG22 H 1 0.857 . . 4 . . . . 57 ILE HG21 . 6571 1 518 . 1 1 57 57 ILE HG23 H 1 0.857 . . 4 . . . . 57 ILE HG21 . 6571 1 519 . 1 1 57 57 ILE HD11 H 1 0.547 . . 1 . . . . 57 ILE HD11 . 6571 1 520 . 1 1 57 57 ILE HD12 H 1 0.547 . . 1 . . . . 57 ILE HD11 . 6571 1 521 . 1 1 57 57 ILE HD13 H 1 0.547 . . 1 . . . . 57 ILE HD11 . 6571 1 522 . 1 1 57 57 ILE C C 13 177.491 . . 1 . . . . 57 ILE C . 6571 1 523 . 1 1 57 57 ILE CA C 13 65.460 . . 1 . . . . 57 ILE CA . 6571 1 524 . 1 1 57 57 ILE CB C 13 37.668 . . 1 . . . . 57 ILE CB . 6571 1 525 . 1 1 57 57 ILE CG1 C 13 29.185 . . 2 . . . . 57 ILE CG1 . 6571 1 526 . 1 1 57 57 ILE CG2 C 13 16.961 . . 2 . . . . 57 ILE CG2 . 6571 1 527 . 1 1 57 57 ILE CD1 C 13 12.963 . . 1 . . . . 57 ILE CD1 . 6571 1 528 . 1 1 57 57 ILE N N 15 118.032 . . 1 . . . . 57 ILE N . 6571 1 529 . 1 1 58 58 ALA H H 1 7.306 . . 1 . . . . 58 ALA HN . 6571 1 530 . 1 1 58 58 ALA HA H 1 3.893 . . 1 . . . . 58 ALA HA . 6571 1 531 . 1 1 58 58 ALA HB1 H 1 1.158 . . 1 . . . . 58 ALA HB1 . 6571 1 532 . 1 1 58 58 ALA HB2 H 1 1.158 . . 1 . . . . 58 ALA HB1 . 6571 1 533 . 1 1 58 58 ALA HB3 H 1 1.158 . . 1 . . . . 58 ALA HB1 . 6571 1 534 . 1 1 58 58 ALA C C 13 180.810 . . 1 . . . . 58 ALA C . 6571 1 535 . 1 1 58 58 ALA CA C 13 55.415 . . 1 . . . . 58 ALA CA . 6571 1 536 . 1 1 58 58 ALA CB C 13 17.528 . . 1 . . . . 58 ALA CB . 6571 1 537 . 1 1 58 58 ALA N N 15 120.925 . . 1 . . . . 58 ALA N . 6571 1 538 . 1 1 59 59 HIS H H 1 8.828 . . 1 . . . . 59 HIS HN . 6571 1 539 . 1 1 59 59 HIS HA H 1 4.378 . . 1 . . . . 59 HIS HA . 6571 1 540 . 1 1 59 59 HIS HB2 H 1 2.764 . . 2 . . . . 59 HIS HB1 . 6571 1 541 . 1 1 59 59 HIS HB3 H 1 2.873 . . 2 . . . . 59 HIS HB2 . 6571 1 542 . 1 1 59 59 HIS HD2 H 1 6.515 . . 3 . . . . 59 HIS HD2 . 6571 1 543 . 1 1 59 59 HIS C C 13 179.366 . . 1 . . . . 59 HIS C . 6571 1 544 . 1 1 59 59 HIS CA C 13 60.130 . . 1 . . . . 59 HIS CA . 6571 1 545 . 1 1 59 59 HIS CB C 13 31.478 . . 1 . . . . 59 HIS CB . 6571 1 546 . 1 1 59 59 HIS CD2 C 13 119.274 . . 1 . . . . 59 HIS CD2 . 6571 1 547 . 1 1 59 59 HIS N N 15 117.529 . . 1 . . . . 59 HIS N . 6571 1 548 . 1 1 60 60 ARG H H 1 8.868 . . 1 . . . . 60 ARG HN . 6571 1 549 . 1 1 60 60 ARG HA H 1 4.091 . . 1 . . . . 60 ARG HA . 6571 1 550 . 1 1 60 60 ARG CA C 13 60.280 . . 1 . . . . 60 ARG CA . 6571 1 551 . 1 1 60 60 ARG CB C 13 31.030 . . 1 . . . . 60 ARG CB . 6571 1 552 . 1 1 60 60 ARG N N 15 122.143 . . 1 . . . . 60 ARG N . 6571 1 553 . 1 1 61 61 LEU H H 1 8.130 . . 1 . . . . 61 LEU HN . 6571 1 554 . 1 1 61 61 LEU HA H 1 4.064 . . 1 . . . . 61 LEU HA . 6571 1 555 . 1 1 61 61 LEU HB2 H 1 1.820 . . 2 . . . . 61 LEU HB1 . 6571 1 556 . 1 1 61 61 LEU HG H 1 1.514 . . 1 . . . . 61 LEU HG . 6571 1 557 . 1 1 61 61 LEU HD11 H 1 0.820 . . 2 . . . . 61 LEU HD11 . 6571 1 558 . 1 1 61 61 LEU HD12 H 1 0.820 . . 2 . . . . 61 LEU HD11 . 6571 1 559 . 1 1 61 61 LEU HD13 H 1 0.820 . . 2 . . . . 61 LEU HD11 . 6571 1 560 . 1 1 61 61 LEU CA C 13 57.380 . . 1 . . . . 61 LEU CA . 6571 1 561 . 1 1 61 61 LEU CB C 13 41.620 . . 1 . . . . 61 LEU CB . 6571 1 562 . 1 1 61 61 LEU CG C 13 25.055 . . 1 . . . . 61 LEU CG . 6571 1 563 . 1 1 61 61 LEU CD1 C 13 22.687 . . 1 . . . . 61 LEU CD1 . 6571 1 564 . 1 1 61 61 LEU N N 15 119.360 . . 1 . . . . 61 LEU N . 6571 1 565 . 1 1 62 62 ALA H H 1 7.881 . . 1 . . . . 62 ALA HN . 6571 1 566 . 1 1 62 62 ALA HA H 1 4.187 . . 1 . . . . 62 ALA HA . 6571 1 567 . 1 1 62 62 ALA HB1 H 1 1.541 . . 1 . . . . 62 ALA HB1 . 6571 1 568 . 1 1 62 62 ALA HB2 H 1 1.541 . . 1 . . . . 62 ALA HB1 . 6571 1 569 . 1 1 62 62 ALA HB3 H 1 1.541 . . 1 . . . . 62 ALA HB1 . 6571 1 570 . 1 1 62 62 ALA C C 13 179.186 . . 1 . . . . 62 ALA C . 6571 1 571 . 1 1 62 62 ALA CA C 13 54.238 . . 1 . . . . 62 ALA CA . 6571 1 572 . 1 1 62 62 ALA CB C 13 18.349 . . 1 . . . . 62 ALA CB . 6571 1 573 . 1 1 62 62 ALA N N 15 120.457 . . 1 . . . . 62 ALA N . 6571 1 574 . 1 1 63 63 SER H H 1 7.913 . . 1 . . . . 63 SER HN . 6571 1 575 . 1 1 63 63 SER HA H 1 4.251 . . 1 . . . . 63 SER HA . 6571 1 576 . 1 1 63 63 SER HB2 H 1 3.970 . . 2 . . . . 63 SER HB1 . 6571 1 577 . 1 1 63 63 SER C C 13 175.319 . . 1 . . . . 63 SER C . 6571 1 578 . 1 1 63 63 SER CA C 13 60.537 . . 1 . . . . 63 SER CA . 6571 1 579 . 1 1 63 63 SER CB C 13 63.390 . . 1 . . . . 63 SER CB . 6571 1 580 . 1 1 63 63 SER N N 15 112.387 . . 1 . . . . 63 SER N . 6571 1 581 . 1 1 64 64 VAL H H 1 7.537 . . 1 . . . . 64 VAL HN . 6571 1 582 . 1 1 64 64 VAL HA H 1 3.911 . . 1 . . . . 64 VAL HA . 6571 1 583 . 1 1 64 64 VAL HB H 1 2.198 . . 1 . . . . 64 VAL HB . 6571 1 584 . 1 1 64 64 VAL HG11 H 1 1.013 . . 2 . . . . 64 VAL HG11 . 6571 1 585 . 1 1 64 64 VAL HG12 H 1 1.013 . . 2 . . . . 64 VAL HG11 . 6571 1 586 . 1 1 64 64 VAL HG13 H 1 1.013 . . 2 . . . . 64 VAL HG11 . 6571 1 587 . 1 1 64 64 VAL HG21 H 1 0.936 . . 2 . . . . 64 VAL HG21 . 6571 1 588 . 1 1 64 64 VAL HG22 H 1 0.936 . . 2 . . . . 64 VAL HG21 . 6571 1 589 . 1 1 64 64 VAL HG23 H 1 0.936 . . 2 . . . . 64 VAL HG21 . 6571 1 590 . 1 1 64 64 VAL C C 13 176.303 . . 1 . . . . 64 VAL C . 6571 1 591 . 1 1 64 64 VAL CA C 13 63.920 . . 1 . . . . 64 VAL CA . 6571 1 592 . 1 1 64 64 VAL CB C 13 31.913 . . 1 . . . . 64 VAL CB . 6571 1 593 . 1 1 64 64 VAL CG1 C 13 20.772 . . 1 . . . . 64 VAL CG1 . 6571 1 594 . 1 1 64 64 VAL CG2 C 13 20.922 . . 1 . . . . 64 VAL CG2 . 6571 1 595 . 1 1 64 64 VAL N N 15 119.287 . . 1 . . . . 64 VAL N . 6571 1 596 . 1 1 65 65 ASN H H 1 8.035 . . 1 . . . . 65 ASN HN . 6571 1 597 . 1 1 65 65 ASN HA H 1 4.692 . . 1 . . . . 65 ASN HA . 6571 1 598 . 1 1 65 65 ASN HB2 H 1 2.867 . . 2 . . . . 65 ASN HB1 . 6571 1 599 . 1 1 65 65 ASN HB3 H 1 2.748 . . 2 . . . . 65 ASN HB2 . 6571 1 600 . 1 1 65 65 ASN HD21 H 1 7.624 . . 2 . . . . 65 ASN HD21 . 6571 1 601 . 1 1 65 65 ASN HD22 H 1 6.945 . . 2 . . . . 65 ASN HD22 . 6571 1 602 . 1 1 65 65 ASN C C 13 175.694 . . 1 . . . . 65 ASN C . 6571 1 603 . 1 1 65 65 ASN CA C 13 54.020 . . 1 . . . . 65 ASN CA . 6571 1 604 . 1 1 65 65 ASN CB C 13 38.648 . . 1 . . . . 65 ASN CB . 6571 1 605 . 1 1 65 65 ASN N N 15 118.414 . . 1 . . . . 65 ASN N . 6571 1 606 . 1 1 65 65 ASN ND2 N 15 111.499 . . 1 . . . . 65 ASN ND2 . 6571 1 607 . 1 1 66 66 LEU H H 1 7.993 . . 1 . . . . 66 LEU HN . 6571 1 608 . 1 1 66 66 LEU HA H 1 4.348 . . 1 . . . . 66 LEU HA . 6571 1 609 . 1 1 66 66 LEU HB2 H 1 1.740 . . 2 . . . . 66 LEU HB1 . 6571 1 610 . 1 1 66 66 LEU HG H 1 1.680 . . 1 . . . . 66 LEU HG . 6571 1 611 . 1 1 66 66 LEU HD11 H 1 0.932 . . 2 . . . . 66 LEU HD11 . 6571 1 612 . 1 1 66 66 LEU HD12 H 1 0.932 . . 2 . . . . 66 LEU HD11 . 6571 1 613 . 1 1 66 66 LEU HD13 H 1 0.932 . . 2 . . . . 66 LEU HD11 . 6571 1 614 . 1 1 66 66 LEU HD21 H 1 0.932 . . 2 . . . . 66 LEU HD21 . 6571 1 615 . 1 1 66 66 LEU HD22 H 1 0.932 . . 2 . . . . 66 LEU HD21 . 6571 1 616 . 1 1 66 66 LEU HD23 H 1 0.932 . . 2 . . . . 66 LEU HD21 . 6571 1 617 . 1 1 66 66 LEU C C 13 177.357 . . 1 . . . . 66 LEU C . 6571 1 618 . 1 1 66 66 LEU CA C 13 55.740 . . 1 . . . . 66 LEU CA . 6571 1 619 . 1 1 66 66 LEU CB C 13 42.180 . . 1 . . . . 66 LEU CB . 6571 1 620 . 1 1 66 66 LEU CG C 13 26.953 . . 1 . . . . 66 LEU CG . 6571 1 621 . 1 1 66 66 LEU CD1 C 13 25.000 . . 1 . . . . 66 LEU CD1 . 6571 1 622 . 1 1 66 66 LEU CD2 C 13 22.978 . . 1 . . . . 66 LEU CD2 . 6571 1 623 . 1 1 66 66 LEU N N 15 120.670 . . 1 . . . . 66 LEU N . 6571 1 624 . 1 1 67 67 SER H H 1 8.090 . . 1 . . . . 67 SER HN . 6571 1 625 . 1 1 67 67 SER HA H 1 4.371 . . 1 . . . . 67 SER HA . 6571 1 626 . 1 1 67 67 SER HB2 H 1 3.918 . . 2 . . . . 67 SER HB1 . 6571 1 627 . 1 1 67 67 SER C C 13 174.079 . . 1 . . . . 67 SER C . 6571 1 628 . 1 1 67 67 SER CA C 13 59.067 . . 1 . . . . 67 SER CA . 6571 1 629 . 1 1 67 67 SER CB C 13 63.799 . . 1 . . . . 67 SER CB . 6571 1 630 . 1 1 67 67 SER N N 15 114.495 . . 1 . . . . 67 SER N . 6571 1 631 . 1 1 68 68 ARG H H 1 8.000 . . 1 . . . . 68 ARG HN . 6571 1 632 . 1 1 68 68 ARG HA H 1 4.403 . . 1 . . . . 68 ARG HA . 6571 1 633 . 1 1 68 68 ARG HB2 H 1 1.936 . . 2 . . . . 68 ARG HB1 . 6571 1 634 . 1 1 68 68 ARG HB3 H 1 1.759 . . 2 . . . . 68 ARG HB2 . 6571 1 635 . 1 1 68 68 ARG HG2 H 1 1.636 . . 2 . . . . 68 ARG HG1 . 6571 1 636 . 1 1 68 68 ARG HD2 H 1 3.174 . . 2 . . . . 68 ARG HD1 . 6571 1 637 . 1 1 68 68 ARG C C 13 174.604 . . 1 . . . . 68 ARG C . 6571 1 638 . 1 1 68 68 ARG CA C 13 55.730 . . 1 . . . . 68 ARG CA . 6571 1 639 . 1 1 68 68 ARG CB C 13 30.850 . . 1 . . . . 68 ARG CB . 6571 1 640 . 1 1 68 68 ARG CG C 13 27.118 . . 1 . . . . 68 ARG CG . 6571 1 641 . 1 1 68 68 ARG CD C 13 43.366 . . 1 . . . . 68 ARG CD . 6571 1 642 . 1 1 68 68 ARG N N 15 120.690 . . 1 . . . . 68 ARG N . 6571 1 643 . 1 1 69 69 LEU H H 1 7.866 . . 1 . . . . 69 LEU HN . 6571 1 644 . 1 1 69 69 LEU HA H 1 4.293 . . 1 . . . . 69 LEU HA . 6571 1 645 . 1 1 69 69 LEU HB2 H 1 1.674 . . 2 . . . . 69 LEU HB1 . 6571 1 646 . 1 1 69 69 LEU HD11 H 1 0.911 . . 2 . . . . 69 LEU HD11 . 6571 1 647 . 1 1 69 69 LEU HD12 H 1 0.911 . . 2 . . . . 69 LEU HD11 . 6571 1 648 . 1 1 69 69 LEU HD13 H 1 0.911 . . 2 . . . . 69 LEU HD11 . 6571 1 649 . 1 1 69 69 LEU HD21 H 1 0.839 . . 2 . . . . 69 LEU HD21 . 6571 1 650 . 1 1 69 69 LEU HD22 H 1 0.839 . . 2 . . . . 69 LEU HD21 . 6571 1 651 . 1 1 69 69 LEU HD23 H 1 0.839 . . 2 . . . . 69 LEU HD21 . 6571 1 652 . 1 1 69 69 LEU CA C 13 52.970 . . 1 . . . . 69 LEU CA . 6571 1 653 . 1 1 69 69 LEU CB C 13 42.550 . . 1 . . . . 69 LEU CB . 6571 1 654 . 1 1 69 69 LEU N N 15 121.116 . . 1 . . . . 69 LEU N . 6571 1 655 . 1 1 70 70 PRO HA H 1 4.343 . . 1 . . . . 70 PRO HA . 6571 1 656 . 1 1 70 70 PRO HB2 H 1 2.156 . . 2 . . . . 70 PRO HB1 . 6571 1 657 . 1 1 70 70 PRO HG2 H 1 1.951 . . 2 . . . . 70 PRO HG1 . 6571 1 658 . 1 1 70 70 PRO HG3 H 1 1.779 . . 2 . . . . 70 PRO HG2 . 6571 1 659 . 1 1 70 70 PRO HD2 H 1 3.554 . . 2 . . . . 70 PRO HD1 . 6571 1 660 . 1 1 70 70 PRO HD3 H 1 3.767 . . 2 . . . . 70 PRO HD2 . 6571 1 661 . 1 1 70 70 PRO C C 13 175.729 . . 1 . . . . 70 PRO C . 6571 1 662 . 1 1 70 70 PRO CA C 13 64.430 . . 1 . . . . 70 PRO CA . 6571 1 663 . 1 1 70 70 PRO CB C 13 31.510 . . 1 . . . . 70 PRO CB . 6571 1 664 . 1 1 70 70 PRO CG C 13 27.232 . . 1 . . . . 70 PRO CG . 6571 1 665 . 1 1 70 70 PRO CD C 13 50.233 . . 1 . . . . 70 PRO CD . 6571 1 666 . 1 1 71 71 TYR H H 1 7.738 . . 1 . . . . 71 TYR HN . 6571 1 667 . 1 1 71 71 TYR HA H 1 4.544 . . 1 . . . . 71 TYR HA . 6571 1 668 . 1 1 71 71 TYR HB2 H 1 2.969 . . 2 . . . . 71 TYR HB1 . 6571 1 669 . 1 1 71 71 TYR HD1 H 1 7.040 . . 3 . . . . 71 TYR HD1 . 6571 1 670 . 1 1 71 71 TYR HE1 H 1 6.766 . . 3 . . . . 71 TYR HE1 . 6571 1 671 . 1 1 71 71 TYR C C 13 174.548 . . 1 . . . . 71 TYR C . 6571 1 672 . 1 1 71 71 TYR CA C 13 56.995 . . 1 . . . . 71 TYR CA . 6571 1 673 . 1 1 71 71 TYR CB C 13 38.805 . . 1 . . . . 71 TYR CB . 6571 1 674 . 1 1 71 71 TYR CD1 C 13 133.052 . . 3 . . . . 71 TYR CD1 . 6571 1 675 . 1 1 71 71 TYR CE1 C 13 137.420 . . 3 . . . . 71 TYR CE1 . 6571 1 676 . 1 1 71 71 TYR N N 15 117.600 . . 1 . . . . 71 TYR N . 6571 1 677 . 1 1 72 72 GLU H H 1 7.969 . . 1 . . . . 72 GLU HN . 6571 1 678 . 1 1 72 72 GLU HA H 1 4.550 . . 1 . . . . 72 GLU HA . 6571 1 679 . 1 1 72 72 GLU HB2 H 1 1.959 . . 2 . . . . 72 GLU HB1 . 6571 1 680 . 1 1 72 72 GLU HB3 H 1 1.864 . . 2 . . . . 72 GLU HB2 . 6571 1 681 . 1 1 72 72 GLU HG2 H 1 2.180 . . 2 . . . . 72 GLU HG1 . 6571 1 682 . 1 1 72 72 GLU CA C 13 53.630 . . 1 . . . . 72 GLU CA . 6571 1 683 . 1 1 72 72 GLU CB C 13 30.480 . . 1 . . . . 72 GLU CB . 6571 1 684 . 1 1 72 72 GLU N N 15 123.676 . . 1 . . . . 72 GLU N . 6571 1 685 . 1 1 73 73 PRO HA H 1 4.340 . . 1 . . . . 73 PRO HA . 6571 1 686 . 1 1 73 73 PRO HB2 H 1 2.216 . . 2 . . . . 73 PRO HB1 . 6571 1 687 . 1 1 73 73 PRO HG2 H 1 1.944 . . 2 . . . . 73 PRO HG1 . 6571 1 688 . 1 1 73 73 PRO HG3 H 1 1.963 . . 2 . . . . 73 PRO HG2 . 6571 1 689 . 1 1 73 73 PRO HD2 H 1 3.644 . . 2 . . . . 73 PRO HD1 . 6571 1 690 . 1 1 73 73 PRO HD3 H 1 3.596 . . 2 . . . . 73 PRO HD2 . 6571 1 691 . 1 1 73 73 PRO C C 13 176.111 . . 1 . . . . 73 PRO C . 6571 1 692 . 1 1 73 73 PRO CA C 13 63.008 . . 1 . . . . 73 PRO CA . 6571 1 693 . 1 1 73 73 PRO CB C 13 31.900 . . 1 . . . . 73 PRO CB . 6571 1 694 . 1 1 73 73 PRO CG C 13 27.264 . . 1 . . . . 73 PRO CG . 6571 1 695 . 1 1 73 73 PRO CD C 13 50.375 . . 1 . . . . 73 PRO CD . 6571 1 696 . 1 1 74 74 LYS H H 1 8.335 . . 1 . . . . 74 LYS HN . 6571 1 697 . 1 1 74 74 LYS HA H 1 4.335 . . 1 . . . . 74 LYS HA . 6571 1 698 . 1 1 74 74 LYS HB2 H 1 1.835 . . 2 . . . . 74 LYS HB1 . 6571 1 699 . 1 1 74 74 LYS HB3 H 1 1.728 . . 2 . . . . 74 LYS HB2 . 6571 1 700 . 1 1 74 74 LYS HG2 H 1 0.910 . . 2 . . . . 74 LYS HG1 . 6571 1 701 . 1 1 74 74 LYS HG3 H 1 0.861 . . 2 . . . . 74 LYS HG2 . 6571 1 702 . 1 1 74 74 LYS HD2 H 1 1.671 . . 2 . . . . 74 LYS HD1 . 6571 1 703 . 1 1 74 74 LYS HD3 H 1 1.429 . . 2 . . . . 74 LYS HD2 . 6571 1 704 . 1 1 74 74 LYS HE2 H 1 2.975 . . 2 . . . . 74 LYS HE1 . 6571 1 705 . 1 1 74 74 LYS C C 13 175.946 . . 1 . . . . 74 LYS C . 6571 1 706 . 1 1 74 74 LYS CA C 13 55.820 . . 1 . . . . 74 LYS CA . 6571 1 707 . 1 1 74 74 LYS CB C 13 45.739 . . 1 . . . . 74 LYS CB . 6571 1 708 . 1 1 74 74 LYS CG C 13 24.652 . . 1 . . . . 74 LYS CG . 6571 1 709 . 1 1 74 74 LYS CD C 13 32.584 . . 1 . . . . 74 LYS CD . 6571 1 710 . 1 1 74 74 LYS CE C 13 42.096 . . 1 . . . . 74 LYS CE . 6571 1 711 . 1 1 74 74 LYS N N 15 120.626 . . 1 . . . . 74 LYS N . 6571 1 712 . 1 1 75 75 LEU H H 1 8.246 . . 1 . . . . 75 LEU HN . 6571 1 713 . 1 1 75 75 LEU HA H 1 4.342 . . 1 . . . . 75 LEU HA . 6571 1 714 . 1 1 75 75 LEU HB2 H 1 1.614 . . 2 . . . . 75 LEU HB1 . 6571 1 715 . 1 1 75 75 LEU HD11 H 1 0.902 . . 2 . . . . 75 LEU HD11 . 6571 1 716 . 1 1 75 75 LEU HD12 H 1 0.902 . . 2 . . . . 75 LEU HD11 . 6571 1 717 . 1 1 75 75 LEU HD13 H 1 0.902 . . 2 . . . . 75 LEU HD11 . 6571 1 718 . 1 1 75 75 LEU HD21 H 1 0.902 . . 2 . . . . 75 LEU HD21 . 6571 1 719 . 1 1 75 75 LEU HD22 H 1 0.902 . . 2 . . . . 75 LEU HD21 . 6571 1 720 . 1 1 75 75 LEU HD23 H 1 0.902 . . 2 . . . . 75 LEU HD21 . 6571 1 721 . 1 1 75 75 LEU C C 13 175.692 . . 1 . . . . 75 LEU C . 6571 1 722 . 1 1 75 75 LEU CA C 13 55.188 . . 1 . . . . 75 LEU CA . 6571 1 723 . 1 1 75 75 LEU CB C 13 42.578 . . 1 . . . . 75 LEU CB . 6571 1 724 . 1 1 75 75 LEU CG C 13 27.020 . . 1 . . . . 75 LEU CG . 6571 1 725 . 1 1 75 75 LEU CD1 C 13 23.321 . . 1 . . . . 75 LEU CD1 . 6571 1 726 . 1 1 75 75 LEU CD2 C 13 24.884 . . 1 . . . . 75 LEU CD2 . 6571 1 727 . 1 1 75 75 LEU N N 15 123.085 . . 1 . . . . 75 LEU N . 6571 1 728 . 1 1 76 76 LYS H H 1 7.649 . . 1 . . . . 76 LYS HN . 6571 1 729 . 1 1 76 76 LYS HA H 1 4.133 . . 1 . . . . 76 LYS HA . 6571 1 730 . 1 1 76 76 LYS HB2 H 1 1.805 . . 2 . . . . 76 LYS HB1 . 6571 1 731 . 1 1 76 76 LYS HG2 H 1 1.366 . . 2 . . . . 76 LYS HG1 . 6571 1 732 . 1 1 76 76 LYS HD2 H 1 1.701 . . 2 . . . . 76 LYS HD1 . 6571 1 733 . 1 1 76 76 LYS HE2 H 1 2.969 . . 2 . . . . 76 LYS HE1 . 6571 1 734 . 1 1 76 76 LYS CA C 13 57.290 . . 1 . . . . 76 LYS CA . 6571 1 735 . 1 1 76 76 LYS CB C 13 34.110 . . 1 . . . . 76 LYS CB . 6571 1 736 . 1 1 76 76 LYS N N 15 124.764 . . 1 . . . . 76 LYS N . 6571 1 stop_ save_