data_6751 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6751 _Entry.Title ; Solution Structure of Asl1650, an Acyl Carrier Protein from Anabaena sp. PCC 7120 with a Variant Phosphopantetheinylation-Site Sequence ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-26 _Entry.Accession_date 2005-07-27 _Entry.Last_release_date . _Entry.Original_release_date . _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 Margaret Johnson . A . 6751 2 Wolfgang Peti . . . 6751 3 Torsten Herrmann . . . 6751 4 Ian Wilson . A . 6751 5 Kurt Wuthrich . . . 6751 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . JCSG . 6751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 6751 '15N chemical shifts' 93 6751 '1H chemical shifts' 647 6751 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-10-10 2005-07-26 update author 'update the citation' 6751 1 . . 2005-08-22 2005-07-26 original author 'original release' 6751 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AFD 'BMRB Entry Tracking System' 6751 PDB 2AFE 'BMRB Entry Tracking System' 6751 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6751 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16597827 _Citation.Full_citation . _Citation.Title ; Solution structure of Asl1650, an acyl carrier protein from Anabaena sp. PCC 7120 with a variant phosphopantetheinylation-site sequence ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 5 _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 1030 _Citation.Page_last 1041 _Citation.Year 2006 _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 Margaret Johnson . A. . 6751 1 2 Wolfgang Peti . . . 6751 1 3 Torsten Herrmann . . . 6751 1 4 Ian Wilson . A. . 6751 1 5 Kurt Wuthrich . . . 6751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6751 _Assembly.ID 1 _Assembly.Name Asl1650 _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 Asl1650 1 $Hypothetical_protein_Asl1650 . . no native no no . monomer . 6751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hypothetical_protein_Asl1650 _Entity.Sf_category entity _Entity.Sf_framecode Hypothetical_protein_Asl1650 _Entity.Entry_ID 6751 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Asl1650 _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 ; GSHMKTIQPASVEDIQSWLI DQFAQQLDVDPDDIDMEESF DNYDLNSSKALILLGRLEKW LGKELNPVLIFNYPTIAQLA KRLGELYL ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10080.4 _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 2AFD . "Solution Structure Of Asl1650, An Acyl Carrier Protein From Anabaena Sp. Pcc 7120 With A Variant Phosphopantetheinylation-Site " . . . . . 100.00 88 100.00 100.00 9.14e-56 . . . . 6751 1 2 no PDB 2AFE . "Solution Structure Of Asl1650, An Acyl Carrier Protein From Anabaena Sp. Pcc 7120 With A Variant Phosphopantetheinylation-Site " . . . . . 100.00 88 100.00 100.00 9.14e-56 . . . . 6751 1 3 no DBJ BAB78016 . "asl1650 [Nostoc sp. PCC 7120]" . . . . . 96.59 85 98.82 98.82 2.55e-52 . . . . 6751 1 4 no REF NP_485690 . "hypothetical protein asl1650 [Nostoc sp. PCC 7120]" . . . . . 96.59 85 98.82 98.82 2.55e-52 . . . . 6751 1 5 no REF WP_010995819 . "phosphopantetheine-binding protein [Nostoc sp. PCC 7120]" . . . . . 96.59 85 98.82 98.82 2.55e-52 . . . . 6751 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'acyl carrier protein family' 6751 1 'hypothetical protein' 6751 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 . GLY . 6751 1 2 . SER . 6751 1 3 . HIS . 6751 1 4 . MET . 6751 1 5 . LYS . 6751 1 6 . THR . 6751 1 7 . ILE . 6751 1 8 . GLN . 6751 1 9 . PRO . 6751 1 10 . ALA . 6751 1 11 . SER . 6751 1 12 . VAL . 6751 1 13 . GLU . 6751 1 14 . ASP . 6751 1 15 . ILE . 6751 1 16 . GLN . 6751 1 17 . SER . 6751 1 18 . TRP . 6751 1 19 . LEU . 6751 1 20 . ILE . 6751 1 21 . ASP . 6751 1 22 . GLN . 6751 1 23 . PHE . 6751 1 24 . ALA . 6751 1 25 . GLN . 6751 1 26 . GLN . 6751 1 27 . LEU . 6751 1 28 . ASP . 6751 1 29 . VAL . 6751 1 30 . ASP . 6751 1 31 . PRO . 6751 1 32 . ASP . 6751 1 33 . ASP . 6751 1 34 . ILE . 6751 1 35 . ASP . 6751 1 36 . MET . 6751 1 37 . GLU . 6751 1 38 . GLU . 6751 1 39 . SER . 6751 1 40 . PHE . 6751 1 41 . ASP . 6751 1 42 . ASN . 6751 1 43 . TYR . 6751 1 44 . ASP . 6751 1 45 . LEU . 6751 1 46 . ASN . 6751 1 47 . SER . 6751 1 48 . SER . 6751 1 49 . LYS . 6751 1 50 . ALA . 6751 1 51 . LEU . 6751 1 52 . ILE . 6751 1 53 . LEU . 6751 1 54 . LEU . 6751 1 55 . GLY . 6751 1 56 . ARG . 6751 1 57 . LEU . 6751 1 58 . GLU . 6751 1 59 . LYS . 6751 1 60 . TRP . 6751 1 61 . LEU . 6751 1 62 . GLY . 6751 1 63 . LYS . 6751 1 64 . GLU . 6751 1 65 . LEU . 6751 1 66 . ASN . 6751 1 67 . PRO . 6751 1 68 . VAL . 6751 1 69 . LEU . 6751 1 70 . ILE . 6751 1 71 . PHE . 6751 1 72 . ASN . 6751 1 73 . TYR . 6751 1 74 . PRO . 6751 1 75 . THR . 6751 1 76 . ILE . 6751 1 77 . ALA . 6751 1 78 . GLN . 6751 1 79 . LEU . 6751 1 80 . ALA . 6751 1 81 . LYS . 6751 1 82 . ARG . 6751 1 83 . LEU . 6751 1 84 . GLY . 6751 1 85 . GLU . 6751 1 86 . LEU . 6751 1 87 . TYR . 6751 1 88 . LEU . 6751 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 . GLY 1 1 6751 1 . SER 2 2 6751 1 . HIS 3 3 6751 1 . MET 4 4 6751 1 . LYS 5 5 6751 1 . THR 6 6 6751 1 . ILE 7 7 6751 1 . GLN 8 8 6751 1 . PRO 9 9 6751 1 . ALA 10 10 6751 1 . SER 11 11 6751 1 . VAL 12 12 6751 1 . GLU 13 13 6751 1 . ASP 14 14 6751 1 . ILE 15 15 6751 1 . GLN 16 16 6751 1 . SER 17 17 6751 1 . TRP 18 18 6751 1 . LEU 19 19 6751 1 . ILE 20 20 6751 1 . ASP 21 21 6751 1 . GLN 22 22 6751 1 . PHE 23 23 6751 1 . ALA 24 24 6751 1 . GLN 25 25 6751 1 . GLN 26 26 6751 1 . LEU 27 27 6751 1 . ASP 28 28 6751 1 . VAL 29 29 6751 1 . ASP 30 30 6751 1 . PRO 31 31 6751 1 . ASP 32 32 6751 1 . ASP 33 33 6751 1 . ILE 34 34 6751 1 . ASP 35 35 6751 1 . MET 36 36 6751 1 . GLU 37 37 6751 1 . GLU 38 38 6751 1 . SER 39 39 6751 1 . PHE 40 40 6751 1 . ASP 41 41 6751 1 . ASN 42 42 6751 1 . TYR 43 43 6751 1 . ASP 44 44 6751 1 . LEU 45 45 6751 1 . ASN 46 46 6751 1 . SER 47 47 6751 1 . SER 48 48 6751 1 . LYS 49 49 6751 1 . ALA 50 50 6751 1 . LEU 51 51 6751 1 . ILE 52 52 6751 1 . LEU 53 53 6751 1 . LEU 54 54 6751 1 . GLY 55 55 6751 1 . ARG 56 56 6751 1 . LEU 57 57 6751 1 . GLU 58 58 6751 1 . LYS 59 59 6751 1 . TRP 60 60 6751 1 . LEU 61 61 6751 1 . GLY 62 62 6751 1 . LYS 63 63 6751 1 . GLU 64 64 6751 1 . LEU 65 65 6751 1 . ASN 66 66 6751 1 . PRO 67 67 6751 1 . VAL 68 68 6751 1 . LEU 69 69 6751 1 . ILE 70 70 6751 1 . PHE 71 71 6751 1 . ASN 72 72 6751 1 . TYR 73 73 6751 1 . PRO 74 74 6751 1 . THR 75 75 6751 1 . ILE 76 76 6751 1 . ALA 77 77 6751 1 . GLN 78 78 6751 1 . LEU 79 79 6751 1 . ALA 80 80 6751 1 . LYS 81 81 6751 1 . ARG 82 82 6751 1 . LEU 83 83 6751 1 . GLY 84 84 6751 1 . GLU 85 85 6751 1 . LEU 86 86 6751 1 . TYR 87 87 6751 1 . LEU 88 88 6751 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 6751 _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 $Hypothetical_protein_Asl1650 . 103690 . no . 'Anabaena sp. PCC 7120' . . Eubacteria . Anabaena 'sp. PCC 7120' . . . . . . . . . . . . . . . . . . . . . 6751 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 6751 _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 $Hypothetical_protein_Asl1650 . 'recombinant technology' . 'E. coli' 'strain BL21(DE3)-RIL (Stratagene)' 562 Escherichia coli BL21(DE3)-RIL . . . . . . . . . . . . plasmid . . pET28b . . . . . . 6751 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6751 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM NaN3 added to prevent microbial growth' _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 Asl1650 '[U-15N; U-13C]' 1 $assembly 1 $Hypothetical_protein_Asl1650 . . 2 . . mM . . . . 6751 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6751 1 3 NaCl . . . . . . . 250 . . mM . . . . 6751 1 4 NaN3 . . . . . . . 2 . . mM . . . . 6751 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6751 _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 Asl1650 [U-15N] 1 $assembly 1 $Hypothetical_protein_Asl1650 . . 2 . . mM . . . . 6751 2 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6751 2 3 NaCl . . . . . . . 250 . . mM . . . . 6751 2 4 NaN3 . . . . . . . 2 . . mM . . . . 6751 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6751 _Sample.ID 3 _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 Asl1650 . 1 $assembly 1 $Hypothetical_protein_Asl1650 . . 2 . . mM . . . . 6751 3 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6751 3 3 NaCl . . . . . . . 250 . . mM . . . . 6751 3 4 NaN3 . . . . . . . 2 . . mM . . . . 6751 3 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 6751 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 0.01 M 6751 1 pH 6.0 0.2 pH 6751 1 temperature 303 0.02 K 6751 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_900MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900MHz_spectrometer _NMR_spectrometer.Entry_ID 6751 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 6751 _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 '3D HNCACB' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 2 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 3 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 4 HBHA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 5 '15N-resolved [1H,1H]-TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 6 HC(CCO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 7 HC(C)H-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 8 '2D [1H,1H]-COSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 9 '2D [1H,1H]-TOCSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 10 '2D [1H,1H]-NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 11 '3D 15N-resolved [1H,1H]-NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 1 12 '3D 13C-resolved [1H,1H]-NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6751 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 6751 _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 . . . . . . . . . 6751 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6751 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6751 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 6751 _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 6751 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.464 0.02 . 1 . . . . 2 SER HA . 6751 1 2 . 1 1 2 2 SER HB2 H 1 3.813 0.02 . 2 . . . . 2 SER QB . 6751 1 3 . 1 1 2 2 SER HB3 H 1 3.813 0.02 . 2 . . . . 2 SER QB . 6751 1 4 . 1 1 2 2 SER CA C 13 58.185 0.25 . 1 . . . . 2 SER CA . 6751 1 5 . 1 1 2 2 SER CB C 13 63.935 0.25 . 1 . . . . 2 SER CB . 6751 1 6 . 1 1 3 3 HIS HA H 1 4.691 0.02 . 1 . . . . 3 HIS HA . 6751 1 7 . 1 1 3 3 HIS HB2 H 1 3.254 0.02 . 2 . . . . 3 HIS HB2 . 6751 1 8 . 1 1 3 3 HIS HB3 H 1 3.149 0.02 . 2 . . . . 3 HIS HB3 . 6751 1 9 . 1 1 3 3 HIS HD2 H 1 7.192 0.02 . 1 . . . . 3 HIS HD2 . 6751 1 10 . 1 1 3 3 HIS HE1 H 1 8.321 0.02 . 1 . . . . 3 HIS HE1 . 6751 1 11 . 1 1 3 3 HIS C C 13 174.606 0.25 . 1 . . . . 3 HIS C . 6751 1 12 . 1 1 3 3 HIS CA C 13 55.685 0.25 . 1 . . . . 3 HIS CA . 6751 1 13 . 1 1 3 3 HIS CB C 13 29.435 0.25 . 1 . . . . 3 HIS CB . 6751 1 14 . 1 1 4 4 MET H H 1 8.357 0.02 . 1 . . . . 4 MET HN . 6751 1 15 . 1 1 4 4 MET HA H 1 4.442 0.02 . 1 . . . . 4 MET HA . 6751 1 16 . 1 1 4 4 MET HB2 H 1 2.056 0.02 . 2 . . . . 4 MET HB2 . 6751 1 17 . 1 1 4 4 MET HB3 H 1 1.969 0.02 . 2 . . . . 4 MET HB3 . 6751 1 18 . 1 1 4 4 MET HG2 H 1 2.551 0.02 . 2 . . . . 4 MET HG2 . 6751 1 19 . 1 1 4 4 MET HG3 H 1 2.489 0.02 . 2 . . . . 4 MET HG3 . 6751 1 20 . 1 1 4 4 MET C C 13 175.994 0.25 . 1 . . . . 4 MET C . 6751 1 21 . 1 1 4 4 MET CA C 13 55.685 0.25 . 1 . . . . 4 MET CA . 6751 1 22 . 1 1 4 4 MET CB C 13 32.889 0.25 . 1 . . . . 4 MET CB . 6751 1 23 . 1 1 4 4 MET CG C 13 31.685 0.25 . 1 . . . . 4 MET CG . 6751 1 24 . 1 1 4 4 MET N N 15 121.664 0.2 . 1 . . . . 4 MET N . 6751 1 25 . 1 1 5 5 LYS H H 1 8.398 0.02 . 1 . . . . 5 LYS HN . 6751 1 26 . 1 1 5 5 LYS HA H 1 4.398 0.02 . 1 . . . . 5 LYS HA . 6751 1 27 . 1 1 5 5 LYS HB2 H 1 1.868 0.02 . 2 . . . . 5 LYS HB2 . 6751 1 28 . 1 1 5 5 LYS HB3 H 1 1.801 0.02 . 2 . . . . 5 LYS HB3 . 6751 1 29 . 1 1 5 5 LYS HG2 H 1 1.485 0.02 . 2 . . . . 5 LYS HG2 . 6751 1 30 . 1 1 5 5 LYS HG3 H 1 1.433 0.02 . 2 . . . . 5 LYS HG3 . 6751 1 31 . 1 1 5 5 LYS HD2 H 1 1.701 0.02 . 2 . . . . 5 LYS QD . 6751 1 32 . 1 1 5 5 LYS HD3 H 1 1.701 0.02 . 2 . . . . 5 LYS QD . 6751 1 33 . 1 1 5 5 LYS HE2 H 1 3 0.02 . 2 . . . . 5 LYS QE . 6751 1 34 . 1 1 5 5 LYS HE3 H 1 3 0.02 . 2 . . . . 5 LYS QE . 6751 1 35 . 1 1 5 5 LYS C C 13 176.593 0.25 . 1 . . . . 5 LYS C . 6751 1 36 . 1 1 5 5 LYS CA C 13 56.435 0.25 . 1 . . . . 5 LYS CA . 6751 1 37 . 1 1 5 5 LYS CB C 13 33.185 0.25 . 1 . . . . 5 LYS CB . 6751 1 38 . 1 1 5 5 LYS CG C 13 24.685 0.25 . 1 . . . . 5 LYS CG . 6751 1 39 . 1 1 5 5 LYS CD C 13 29.185 0.25 . 1 . . . . 5 LYS CD . 6751 1 40 . 1 1 5 5 LYS CE C 13 42.185 0.25 . 1 . . . . 5 LYS CE . 6751 1 41 . 1 1 5 5 LYS N N 15 122.993 0.2 . 1 . . . . 5 LYS N . 6751 1 42 . 1 1 6 6 THR H H 1 8.224 0.02 . 1 . . . . 6 THR HN . 6751 1 43 . 1 1 6 6 THR HA H 1 4.463 0.02 . 1 . . . . 6 THR HA . 6751 1 44 . 1 1 6 6 THR HB H 1 4.271 0.02 . 1 . . . . 6 THR HB . 6751 1 45 . 1 1 6 6 THR HG21 H 1 1.28 0.02 . 1 . . . . 6 THR QG2 . 6751 1 46 . 1 1 6 6 THR HG22 H 1 1.28 0.02 . 1 . . . . 6 THR QG2 . 6751 1 47 . 1 1 6 6 THR HG23 H 1 1.28 0.02 . 1 . . . . 6 THR QG2 . 6751 1 48 . 1 1 6 6 THR C C 13 174.446 0.25 . 1 . . . . 6 THR C . 6751 1 49 . 1 1 6 6 THR CA C 13 61.685 0.25 . 1 . . . . 6 THR CA . 6751 1 50 . 1 1 6 6 THR CB C 13 69.685 0.25 . 1 . . . . 6 THR CB . 6751 1 51 . 1 1 6 6 THR CG2 C 13 21.935 0.25 . 1 . . . . 6 THR CG2 . 6751 1 52 . 1 1 6 6 THR N N 15 115.989 0.2 . 1 . . . . 6 THR N . 6751 1 53 . 1 1 7 7 ILE H H 1 8.253 0.02 . 1 . . . . 7 ILE HN . 6751 1 54 . 1 1 7 7 ILE HA H 1 4.352 0.02 . 1 . . . . 7 ILE HA . 6751 1 55 . 1 1 7 7 ILE HB H 1 1.986 0.02 . 1 . . . . 7 ILE HB . 6751 1 56 . 1 1 7 7 ILE HG12 H 1 1.593 0.02 . 2 . . . . 7 ILE HG12 . 6751 1 57 . 1 1 7 7 ILE HG13 H 1 1.27 0.02 . 2 . . . . 7 ILE HG13 . 6751 1 58 . 1 1 7 7 ILE HG21 H 1 1.074 0.02 . 1 . . . . 7 ILE QG2 . 6751 1 59 . 1 1 7 7 ILE HG22 H 1 1.074 0.02 . 1 . . . . 7 ILE QG2 . 6751 1 60 . 1 1 7 7 ILE HG23 H 1 1.074 0.02 . 1 . . . . 7 ILE QG2 . 6751 1 61 . 1 1 7 7 ILE HD11 H 1 0.934 0.02 . 1 . . . . 7 ILE QD1 . 6751 1 62 . 1 1 7 7 ILE HD12 H 1 0.934 0.02 . 1 . . . . 7 ILE QD1 . 6751 1 63 . 1 1 7 7 ILE HD13 H 1 0.934 0.02 . 1 . . . . 7 ILE QD1 . 6751 1 64 . 1 1 7 7 ILE C C 13 175.874 0.25 . 1 . . . . 7 ILE C . 6751 1 65 . 1 1 7 7 ILE CA C 13 61.185 0.25 . 1 . . . . 7 ILE CA . 6751 1 66 . 1 1 7 7 ILE CB C 13 39.185 0.25 . 1 . . . . 7 ILE CB . 6751 1 67 . 1 1 7 7 ILE CG1 C 13 26.935 0.25 . 1 . . . . 7 ILE CG1 . 6751 1 68 . 1 1 7 7 ILE CG2 C 13 17.685 0.25 . 1 . . . . 7 ILE CG2 . 6751 1 69 . 1 1 7 7 ILE CD1 C 13 13.185 0.25 . 1 . . . . 7 ILE CD1 . 6751 1 70 . 1 1 7 7 ILE N N 15 123.515 0.2 . 1 . . . . 7 ILE N . 6751 1 71 . 1 1 8 8 GLN H H 1 8.463 0.02 . 1 . . . . 8 GLN HN . 6751 1 72 . 1 1 8 8 GLN HA H 1 4.384 0.02 . 1 . . . . 8 GLN HA . 6751 1 73 . 1 1 8 8 GLN HB2 H 1 1.957 0.02 . 2 . . . . 8 GLN HB2 . 6751 1 74 . 1 1 8 8 GLN HB3 H 1 1.86 0.02 . 2 . . . . 8 GLN HB3 . 6751 1 75 . 1 1 8 8 GLN HG2 H 1 2.325 0.02 . 2 . . . . 8 GLN QG . 6751 1 76 . 1 1 8 8 GLN HG3 H 1 2.325 0.02 . 2 . . . . 8 GLN QG . 6751 1 77 . 1 1 8 8 GLN HE21 H 1 7.417 0.02 . 2 . . . . 8 GLN HE21 . 6751 1 78 . 1 1 8 8 GLN HE22 H 1 6.77 0.02 . 2 . . . . 8 GLN HE22 . 6751 1 79 . 1 1 8 8 GLN CA C 13 53.685 0.25 . 1 . . . . 8 GLN CA . 6751 1 80 . 1 1 8 8 GLN CB C 13 28.795 0.25 . 1 . . . . 8 GLN CB . 6751 1 81 . 1 1 8 8 GLN CG C 13 33.685 0.25 . 1 . . . . 8 GLN CG . 6751 1 82 . 1 1 8 8 GLN N N 15 124.637 0.2 . 1 . . . . 8 GLN N . 6751 1 83 . 1 1 8 8 GLN NE2 N 15 112.143 0.2 . 1 . . . . 8 GLN NE2 . 6751 1 84 . 1 1 9 9 PRO HA H 1 4.352 0.02 . 1 . . . . 9 PRO HA . 6751 1 85 . 1 1 9 9 PRO HB2 H 1 1.605 0.02 . 2 . . . . 9 PRO HB2 . 6751 1 86 . 1 1 9 9 PRO HB3 H 1 1.24 0.02 . 2 . . . . 9 PRO HB3 . 6751 1 87 . 1 1 9 9 PRO HG2 H 1 1.493 0.02 . 2 . . . . 9 PRO HG2 . 6751 1 88 . 1 1 9 9 PRO HG3 H 1 0.771 0.02 . 2 . . . . 9 PRO HG3 . 6751 1 89 . 1 1 9 9 PRO HD2 H 1 3.1 0.02 . 2 . . . . 9 PRO HD2 . 6751 1 90 . 1 1 9 9 PRO HD3 H 1 2.311 0.02 . 2 . . . . 9 PRO HD3 . 6751 1 91 . 1 1 9 9 PRO C C 13 175.455 0.25 . 1 . . . . 9 PRO C . 6751 1 92 . 1 1 9 9 PRO CA C 13 62.435 0.25 . 1 . . . . 9 PRO CA . 6751 1 93 . 1 1 9 9 PRO CB C 13 30.685 0.25 . 1 . . . . 9 PRO CB . 6751 1 94 . 1 1 9 9 PRO CG C 13 26.685 0.25 . 1 . . . . 9 PRO CG . 6751 1 95 . 1 1 9 9 PRO CD C 13 48.685 0.25 . 1 . . . . 9 PRO CD . 6751 1 96 . 1 1 10 10 ALA H H 1 9.168 0.02 . 1 . . . . 10 ALA HN . 6751 1 97 . 1 1 10 10 ALA HA H 1 4.536 0.02 . 1 . . . . 10 ALA HA . 6751 1 98 . 1 1 10 10 ALA HB1 H 1 1.432 0.02 . 1 . . . . 10 ALA QB . 6751 1 99 . 1 1 10 10 ALA HB2 H 1 1.432 0.02 . 1 . . . . 10 ALA QB . 6751 1 100 . 1 1 10 10 ALA HB3 H 1 1.432 0.02 . 1 . . . . 10 ALA QB . 6751 1 101 . 1 1 10 10 ALA C C 13 176.853 0.25 . 1 . . . . 10 ALA C . 6751 1 102 . 1 1 10 10 ALA CA C 13 51.685 0.25 . 1 . . . . 10 ALA CA . 6751 1 103 . 1 1 10 10 ALA CB C 13 20.608 0.25 . 1 . . . . 10 ALA CB . 6751 1 104 . 1 1 10 10 ALA N N 15 122.952 0.2 . 1 . . . . 10 ALA N . 6751 1 105 . 1 1 11 11 SER H H 1 7.903 0.02 . 1 . . . . 11 SER HN . 6751 1 106 . 1 1 11 11 SER HA H 1 4.782 0.02 . 1 . . . . 11 SER HA . 6751 1 107 . 1 1 11 11 SER HB2 H 1 4.284 0.02 . 2 . . . . 11 SER HB2 . 6751 1 108 . 1 1 11 11 SER HB3 H 1 4.02 0.02 . 2 . . . . 11 SER HB3 . 6751 1 109 . 1 1 11 11 SER C C 13 174.876 0.25 . 1 . . . . 11 SER C . 6751 1 110 . 1 1 11 11 SER CA C 13 56.435 0.25 . 1 . . . . 11 SER CA . 6751 1 111 . 1 1 11 11 SER CB C 13 66.935 0.25 . 1 . . . . 11 SER CB . 6751 1 112 . 1 1 11 11 SER N N 15 111.907 0.2 . 1 . . . . 11 SER N . 6751 1 113 . 1 1 12 12 VAL H H 1 9.096 0.02 . 1 . . . . 12 VAL HN . 6751 1 114 . 1 1 12 12 VAL HA H 1 3.562 0.02 . 1 . . . . 12 VAL HA . 6751 1 115 . 1 1 12 12 VAL HB H 1 2.029 0.02 . 1 . . . . 12 VAL HB . 6751 1 116 . 1 1 12 12 VAL HG11 H 1 1.136 0.02 . 2 . . . . 12 VAL QG1 . 6751 1 117 . 1 1 12 12 VAL HG12 H 1 1.136 0.02 . 2 . . . . 12 VAL QG1 . 6751 1 118 . 1 1 12 12 VAL HG13 H 1 1.136 0.02 . 2 . . . . 12 VAL QG1 . 6751 1 119 . 1 1 12 12 VAL HG21 H 1 0.877 0.02 . 2 . . . . 12 VAL QG2 . 6751 1 120 . 1 1 12 12 VAL HG22 H 1 0.877 0.02 . 2 . . . . 12 VAL QG2 . 6751 1 121 . 1 1 12 12 VAL HG23 H 1 0.877 0.02 . 2 . . . . 12 VAL QG2 . 6751 1 122 . 1 1 12 12 VAL C C 13 177.881 0.25 . 1 . . . . 12 VAL C . 6751 1 123 . 1 1 12 12 VAL CA C 13 66.935 0.25 . 1 . . . . 12 VAL CA . 6751 1 124 . 1 1 12 12 VAL CB C 13 31.685 0.25 . 1 . . . . 12 VAL CB . 6751 1 125 . 1 1 12 12 VAL CG1 C 13 23.935 0.25 . 2 . . . . 12 VAL CG1 . 6751 1 126 . 1 1 12 12 VAL CG2 C 13 21.185 0.25 . 2 . . . . 12 VAL CG2 . 6751 1 127 . 1 1 12 12 VAL N N 15 122.394 0.2 . 1 . . . . 12 VAL N . 6751 1 128 . 1 1 13 13 GLU H H 1 8.886 0.02 . 1 . . . . 13 GLU HN . 6751 1 129 . 1 1 13 13 GLU HA H 1 3.946 0.02 . 1 . . . . 13 GLU HA . 6751 1 130 . 1 1 13 13 GLU HB2 H 1 2.142 0.02 . 2 . . . . 13 GLU HB2 . 6751 1 131 . 1 1 13 13 GLU HB3 H 1 2.01 0.02 . 2 . . . . 13 GLU HB3 . 6751 1 132 . 1 1 13 13 GLU HG2 H 1 2.512 0.02 . 2 . . . . 13 GLU HG2 . 6751 1 133 . 1 1 13 13 GLU HG3 H 1 2.239 0.02 . 2 . . . . 13 GLU HG3 . 6751 1 134 . 1 1 13 13 GLU C C 13 179.18 0.25 . 1 . . . . 13 GLU C . 6751 1 135 . 1 1 13 13 GLU CA C 13 60.935 0.25 . 1 . . . . 13 GLU CA . 6751 1 136 . 1 1 13 13 GLU CB C 13 28.185 0.25 . 1 . . . . 13 GLU CB . 6751 1 137 . 1 1 13 13 GLU CG C 13 37.435 0.25 . 1 . . . . 13 GLU CG . 6751 1 138 . 1 1 13 13 GLU N N 15 121.462 0.2 . 1 . . . . 13 GLU N . 6751 1 139 . 1 1 14 14 ASP H H 1 7.981 0.02 . 1 . . . . 14 ASP HN . 6751 1 140 . 1 1 14 14 ASP HA H 1 4.609 0.02 . 1 . . . . 14 ASP HA . 6751 1 141 . 1 1 14 14 ASP HB2 H 1 3.107 0.02 . 2 . . . . 14 ASP QB . 6751 1 142 . 1 1 14 14 ASP HB3 H 1 3.107 0.02 . 2 . . . . 14 ASP QB . 6751 1 143 . 1 1 14 14 ASP C C 13 179.11 0.25 . 1 . . . . 14 ASP C . 6751 1 144 . 1 1 14 14 ASP CA C 13 57.935 0.25 . 1 . . . . 14 ASP CA . 6751 1 145 . 1 1 14 14 ASP CB C 13 41.935 0.25 . 1 . . . . 14 ASP CB . 6751 1 146 . 1 1 14 14 ASP N N 15 120.17 0.2 . 1 . . . . 14 ASP N . 6751 1 147 . 1 1 15 15 ILE H H 1 7.696 0.02 . 1 . . . . 15 ILE HN . 6751 1 148 . 1 1 15 15 ILE HA H 1 4.2 0.02 . 1 . . . . 15 ILE HA . 6751 1 149 . 1 1 15 15 ILE HB H 1 2.26 0.02 . 1 . . . . 15 ILE HB . 6751 1 150 . 1 1 15 15 ILE HG12 H 1 2.132 0.02 . 2 . . . . 15 ILE HG12 . 6751 1 151 . 1 1 15 15 ILE HG13 H 1 0.949 0.02 . 2 . . . . 15 ILE HG13 . 6751 1 152 . 1 1 15 15 ILE HG21 H 1 1.198 0.02 . 1 . . . . 15 ILE QG2 . 6751 1 153 . 1 1 15 15 ILE HG22 H 1 1.198 0.02 . 1 . . . . 15 ILE QG2 . 6751 1 154 . 1 1 15 15 ILE HG23 H 1 1.198 0.02 . 1 . . . . 15 ILE QG2 . 6751 1 155 . 1 1 15 15 ILE HD11 H 1 0.782 0.02 . 1 . . . . 15 ILE QD1 . 6751 1 156 . 1 1 15 15 ILE HD12 H 1 0.782 0.02 . 1 . . . . 15 ILE QD1 . 6751 1 157 . 1 1 15 15 ILE HD13 H 1 0.782 0.02 . 1 . . . . 15 ILE QD1 . 6751 1 158 . 1 1 15 15 ILE C C 13 178.031 0.25 . 1 . . . . 15 ILE C . 6751 1 159 . 1 1 15 15 ILE CA C 13 65.935 0.25 . 1 . . . . 15 ILE CA . 6751 1 160 . 1 1 15 15 ILE CB C 13 37.935 0.25 . 1 . . . . 15 ILE CB . 6751 1 161 . 1 1 15 15 ILE CG1 C 13 28.435 0.25 . 1 . . . . 15 ILE CG1 . 6751 1 162 . 1 1 15 15 ILE CG2 C 13 18.305 0.25 . 1 . . . . 15 ILE CG2 . 6751 1 163 . 1 1 15 15 ILE CD1 C 13 13.185 0.25 . 1 . . . . 15 ILE CD1 . 6751 1 164 . 1 1 15 15 ILE N N 15 120.329 0.2 . 1 . . . . 15 ILE N . 6751 1 165 . 1 1 16 16 GLN H H 1 8.864 0.02 . 1 . . . . 16 GLN HN . 6751 1 166 . 1 1 16 16 GLN HA H 1 3.801 0.02 . 1 . . . . 16 GLN HA . 6751 1 167 . 1 1 16 16 GLN HB2 H 1 2.516 0.02 . 2 . . . . 16 GLN HB2 . 6751 1 168 . 1 1 16 16 GLN HB3 H 1 2.163 0.02 . 2 . . . . 16 GLN HB3 . 6751 1 169 . 1 1 16 16 GLN HG2 H 1 2.522 0.02 . 2 . . . . 16 GLN HG2 . 6751 1 170 . 1 1 16 16 GLN HG3 H 1 2.158 0.02 . 2 . . . . 16 GLN HG3 . 6751 1 171 . 1 1 16 16 GLN HE21 H 1 7.462 0.02 . 2 . . . . 16 GLN HE21 . 6751 1 172 . 1 1 16 16 GLN HE22 H 1 6.934 0.02 . 2 . . . . 16 GLN HE22 . 6751 1 173 . 1 1 16 16 GLN C C 13 177.722 0.25 . 1 . . . . 16 GLN C . 6751 1 174 . 1 1 16 16 GLN CA C 13 60.185 0.25 . 1 . . . . 16 GLN CA . 6751 1 175 . 1 1 16 16 GLN CB C 13 28.539 0.25 . 1 . . . . 16 GLN CB . 6751 1 176 . 1 1 16 16 GLN CG C 13 35.185 0.25 . 1 . . . . 16 GLN CG . 6751 1 177 . 1 1 16 16 GLN N N 15 119.024 0.2 . 1 . . . . 16 GLN N . 6751 1 178 . 1 1 16 16 GLN NE2 N 15 109.561 0.2 . 1 . . . . 16 GLN NE2 . 6751 1 179 . 1 1 17 17 SER H H 1 8.455 0.02 . 1 . . . . 17 SER HN . 6751 1 180 . 1 1 17 17 SER HA H 1 4.158 0.02 . 1 . . . . 17 SER HA . 6751 1 181 . 1 1 17 17 SER HB2 H 1 4.043 0.02 . 2 . . . . 17 SER QB . 6751 1 182 . 1 1 17 17 SER HB3 H 1 4.043 0.02 . 2 . . . . 17 SER QB . 6751 1 183 . 1 1 17 17 SER C C 13 176.194 0.25 . 1 . . . . 17 SER C . 6751 1 184 . 1 1 17 17 SER CA C 13 62.435 0.25 . 1 . . . . 17 SER CA . 6751 1 185 . 1 1 17 17 SER CB C 13 63.185 0.25 . 1 . . . . 17 SER CB . 6751 1 186 . 1 1 17 17 SER N N 15 113.062 0.2 . 1 . . . . 17 SER N . 6751 1 187 . 1 1 18 18 TRP H H 1 8.148 0.02 . 1 . . . . 18 TRP HN . 6751 1 188 . 1 1 18 18 TRP HA H 1 3.848 0.02 . 1 . . . . 18 TRP HA . 6751 1 189 . 1 1 18 18 TRP HB2 H 1 3.098 0.02 . 2 . . . . 18 TRP HB2 . 6751 1 190 . 1 1 18 18 TRP HB3 H 1 2.76 0.02 . 2 . . . . 18 TRP HB3 . 6751 1 191 . 1 1 18 18 TRP HD1 H 1 6.02 0.02 . 1 . . . . 18 TRP HD1 . 6751 1 192 . 1 1 18 18 TRP HE1 H 1 9.054 0.02 . 1 . . . . 18 TRP HE1 . 6751 1 193 . 1 1 18 18 TRP HE3 H 1 6.993 0.02 . 1 . . . . 18 TRP HE3 . 6751 1 194 . 1 1 18 18 TRP HZ2 H 1 6.942 0.02 . 1 . . . . 18 TRP HZ2 . 6751 1 195 . 1 1 18 18 TRP HZ3 H 1 6.643 0.02 . 1 . . . . 18 TRP HZ3 . 6751 1 196 . 1 1 18 18 TRP HH2 H 1 6.776 0.02 . 1 . . . . 18 TRP HH2 . 6751 1 197 . 1 1 18 18 TRP C C 13 179.03 0.25 . 1 . . . . 18 TRP C . 6751 1 198 . 1 1 18 18 TRP CA C 13 62.435 0.25 . 1 . . . . 18 TRP CA . 6751 1 199 . 1 1 18 18 TRP CB C 13 30.435 0.25 . 1 . . . . 18 TRP CB . 6751 1 200 . 1 1 18 18 TRP N N 15 123.728 0.2 . 1 . . . . 18 TRP N . 6751 1 201 . 1 1 18 18 TRP NE1 N 15 128.713 0.2 . 1 . . . . 18 TRP NE1 . 6751 1 202 . 1 1 19 19 LEU H H 1 8.626 0.02 . 1 . . . . 19 LEU HN . 6751 1 203 . 1 1 19 19 LEU HA H 1 3.998 0.02 . 1 . . . . 19 LEU HA . 6751 1 204 . 1 1 19 19 LEU HB2 H 1 2.528 0.02 . 2 . . . . 19 LEU HB2 . 6751 1 205 . 1 1 19 19 LEU HB3 H 1 1.484 0.02 . 2 . . . . 19 LEU HB3 . 6751 1 206 . 1 1 19 19 LEU HG H 1 2.399 0.02 . 1 . . . . 19 LEU HG . 6751 1 207 . 1 1 19 19 LEU HD11 H 1 1.207 0.02 . 2 . . . . 19 LEU QD1 . 6751 1 208 . 1 1 19 19 LEU HD12 H 1 1.207 0.02 . 2 . . . . 19 LEU QD1 . 6751 1 209 . 1 1 19 19 LEU HD13 H 1 1.207 0.02 . 2 . . . . 19 LEU QD1 . 6751 1 210 . 1 1 19 19 LEU HD21 H 1 1.288 0.02 . 2 . . . . 19 LEU QD2 . 6751 1 211 . 1 1 19 19 LEU HD22 H 1 1.288 0.02 . 2 . . . . 19 LEU QD2 . 6751 1 212 . 1 1 19 19 LEU HD23 H 1 1.288 0.02 . 2 . . . . 19 LEU QD2 . 6751 1 213 . 1 1 19 19 LEU C C 13 178.83 0.25 . 1 . . . . 19 LEU C . 6751 1 214 . 1 1 19 19 LEU CA C 13 58.685 0.25 . 1 . . . . 19 LEU CA . 6751 1 215 . 1 1 19 19 LEU CB C 13 43.935 0.25 . 1 . . . . 19 LEU CB . 6751 1 216 . 1 1 19 19 LEU CG C 13 27.935 0.25 . 1 . . . . 19 LEU CG . 6751 1 217 . 1 1 19 19 LEU CD1 C 13 27.935 0.25 . 2 . . . . 19 LEU CD1 . 6751 1 218 . 1 1 19 19 LEU CD2 C 13 24.185 0.25 . 2 . . . . 19 LEU CD2 . 6751 1 219 . 1 1 19 19 LEU N N 15 118.66 0.2 . 1 . . . . 19 LEU N . 6751 1 220 . 1 1 20 20 ILE H H 1 8.813 0.02 . 1 . . . . 20 ILE HN . 6751 1 221 . 1 1 20 20 ILE HA H 1 3.523 0.02 . 1 . . . . 20 ILE HA . 6751 1 222 . 1 1 20 20 ILE HB H 1 1.943 0.02 . 1 . . . . 20 ILE HB . 6751 1 223 . 1 1 20 20 ILE HG12 H 1 1.957 0.02 . 2 . . . . 20 ILE HG12 . 6751 1 224 . 1 1 20 20 ILE HG13 H 1 0.914 0.02 . 2 . . . . 20 ILE HG13 . 6751 1 225 . 1 1 20 20 ILE HG21 H 1 0.951 0.02 . 1 . . . . 20 ILE QG2 . 6751 1 226 . 1 1 20 20 ILE HG22 H 1 0.951 0.02 . 1 . . . . 20 ILE QG2 . 6751 1 227 . 1 1 20 20 ILE HG23 H 1 0.951 0.02 . 1 . . . . 20 ILE QG2 . 6751 1 228 . 1 1 20 20 ILE HD11 H 1 0.953 0.02 . 1 . . . . 20 ILE QD1 . 6751 1 229 . 1 1 20 20 ILE HD12 H 1 0.953 0.02 . 1 . . . . 20 ILE QD1 . 6751 1 230 . 1 1 20 20 ILE HD13 H 1 0.953 0.02 . 1 . . . . 20 ILE QD1 . 6751 1 231 . 1 1 20 20 ILE C C 13 177.113 0.25 . 1 . . . . 20 ILE C . 6751 1 232 . 1 1 20 20 ILE CA C 13 66.685 0.25 . 1 . . . . 20 ILE CA . 6751 1 233 . 1 1 20 20 ILE CB C 13 38.185 0.25 . 1 . . . . 20 ILE CB . 6751 1 234 . 1 1 20 20 ILE CG1 C 13 30.185 0.25 . 1 . . . . 20 ILE CG1 . 6751 1 235 . 1 1 20 20 ILE CG2 C 13 17.685 0.25 . 1 . . . . 20 ILE CG2 . 6751 1 236 . 1 1 20 20 ILE CD1 C 13 13.935 0.25 . 1 . . . . 20 ILE CD1 . 6751 1 237 . 1 1 20 20 ILE N N 15 120.425 0.2 . 1 . . . . 20 ILE N . 6751 1 238 . 1 1 21 21 ASP H H 1 7.475 0.02 . 1 . . . . 21 ASP HN . 6751 1 239 . 1 1 21 21 ASP HA H 1 4.234 0.02 . 1 . . . . 21 ASP HA . 6751 1 240 . 1 1 21 21 ASP HB2 H 1 2.579 0.02 . 2 . . . . 21 ASP HB2 . 6751 1 241 . 1 1 21 21 ASP HB3 H 1 2.412 0.02 . 2 . . . . 21 ASP HB3 . 6751 1 242 . 1 1 21 21 ASP C C 13 178.72 0.25 . 1 . . . . 21 ASP C . 6751 1 243 . 1 1 21 21 ASP CA C 13 57.435 0.25 . 1 . . . . 21 ASP CA . 6751 1 244 . 1 1 21 21 ASP CB C 13 41.076 0.25 . 1 . . . . 21 ASP CB . 6751 1 245 . 1 1 21 21 ASP N N 15 118.007 0.2 . 1 . . . . 21 ASP N . 6751 1 246 . 1 1 22 22 GLN H H 1 7.812 0.02 . 1 . . . . 22 GLN HN . 6751 1 247 . 1 1 22 22 GLN HA H 1 3.458 0.02 . 1 . . . . 22 GLN HA . 6751 1 248 . 1 1 22 22 GLN HB2 H 1 1.525 0.02 . 2 . . . . 22 GLN HB2 . 6751 1 249 . 1 1 22 22 GLN HB3 H 1 1.319 0.02 . 2 . . . . 22 GLN HB3 . 6751 1 250 . 1 1 22 22 GLN HG2 H 1 1.246 0.02 . 2 . . . . 22 GLN HG2 . 6751 1 251 . 1 1 22 22 GLN HG3 H 1 0.539 0.02 . 2 . . . . 22 GLN HG3 . 6751 1 252 . 1 1 22 22 GLN HE21 H 1 6.328 0.02 . 2 . . . . 22 GLN HE21 . 6751 1 253 . 1 1 22 22 GLN HE22 H 1 6.172 0.02 . 2 . . . . 22 GLN HE22 . 6751 1 254 . 1 1 22 22 GLN C C 13 179.399 0.25 . 1 . . . . 22 GLN C . 6751 1 255 . 1 1 22 22 GLN CA C 13 57.935 0.25 . 1 . . . . 22 GLN CA . 6751 1 256 . 1 1 22 22 GLN CB C 13 27.185 0.25 . 1 . . . . 22 GLN CB . 6751 1 257 . 1 1 22 22 GLN CG C 13 31.935 0.25 . 1 . . . . 22 GLN CG . 6751 1 258 . 1 1 22 22 GLN N N 15 117.299 0.2 . 1 . . . . 22 GLN N . 6751 1 259 . 1 1 22 22 GLN NE2 N 15 112.14 0.2 . 1 . . . . 22 GLN NE2 . 6751 1 260 . 1 1 23 23 PHE H H 1 8.706 0.02 . 1 . . . . 23 PHE HN . 6751 1 261 . 1 1 23 23 PHE HA H 1 3.809 0.02 . 1 . . . . 23 PHE HA . 6751 1 262 . 1 1 23 23 PHE HB2 H 1 2.982 0.02 . 2 . . . . 23 PHE HB2 . 6751 1 263 . 1 1 23 23 PHE HB3 H 1 2.555 0.02 . 2 . . . . 23 PHE HB3 . 6751 1 264 . 1 1 23 23 PHE HD1 H 1 7.125 0.02 . 3 . . . . 23 PHE QD . 6751 1 265 . 1 1 23 23 PHE HD2 H 1 7.125 0.02 . 3 . . . . 23 PHE QD . 6751 1 266 . 1 1 23 23 PHE HE1 H 1 6.865 0.02 . 3 . . . . 23 PHE QE . 6751 1 267 . 1 1 23 23 PHE HE2 H 1 6.865 0.02 . 3 . . . . 23 PHE QE . 6751 1 268 . 1 1 23 23 PHE HZ H 1 6.247 0.02 . 1 . . . . 23 PHE HZ . 6751 1 269 . 1 1 23 23 PHE C C 13 177.532 0.25 . 1 . . . . 23 PHE C . 6751 1 270 . 1 1 23 23 PHE CA C 13 62.935 0.25 . 1 . . . . 23 PHE CA . 6751 1 271 . 1 1 23 23 PHE CB C 13 38.262 0.25 . 1 . . . . 23 PHE CB . 6751 1 272 . 1 1 23 23 PHE N N 15 119.506 0.2 . 1 . . . . 23 PHE N . 6751 1 273 . 1 1 24 24 ALA H H 1 8.694 0.02 . 1 . . . . 24 ALA HN . 6751 1 274 . 1 1 24 24 ALA HA H 1 3.808 0.02 . 1 . . . . 24 ALA HA . 6751 1 275 . 1 1 24 24 ALA HB1 H 1 1.429 0.02 . 1 . . . . 24 ALA QB . 6751 1 276 . 1 1 24 24 ALA HB2 H 1 1.429 0.02 . 1 . . . . 24 ALA QB . 6751 1 277 . 1 1 24 24 ALA HB3 H 1 1.429 0.02 . 1 . . . . 24 ALA QB . 6751 1 278 . 1 1 24 24 ALA C C 13 180.032 0.25 . 1 . . . . 24 ALA C . 6751 1 279 . 1 1 24 24 ALA CA C 13 55.66 0.25 . 1 . . . . 24 ALA CA . 6751 1 280 . 1 1 24 24 ALA CB C 13 17.281 0.25 . 1 . . . . 24 ALA CB . 6751 1 281 . 1 1 24 24 ALA N N 15 121.968 0.2 . 1 . . . . 24 ALA N . 6751 1 282 . 1 1 25 25 GLN H H 1 7.608 0.02 . 1 . . . . 25 GLN HN . 6751 1 283 . 1 1 25 25 GLN HA H 1 4.083 0.02 . 1 . . . . 25 GLN HA . 6751 1 284 . 1 1 25 25 GLN HB2 H 1 2.051 0.02 . 2 . . . . 25 GLN HB2 . 6751 1 285 . 1 1 25 25 GLN HB3 H 1 1.963 0.02 . 2 . . . . 25 GLN HB3 . 6751 1 286 . 1 1 25 25 GLN HG2 H 1 2.459 0.02 . 2 . . . . 25 GLN HG2 . 6751 1 287 . 1 1 25 25 GLN HG3 H 1 2.225 0.02 . 2 . . . . 25 GLN HG3 . 6751 1 288 . 1 1 25 25 GLN HE21 H 1 6.504 0.02 . 2 . . . . 25 GLN HE21 . 6751 1 289 . 1 1 25 25 GLN HE22 H 1 7.198 0.02 . 2 . . . . 25 GLN HE22 . 6751 1 290 . 1 1 25 25 GLN C C 13 179.105 0.25 . 1 . . . . 25 GLN C . 6751 1 291 . 1 1 25 25 GLN CA C 13 58.685 0.25 . 1 . . . . 25 GLN CA . 6751 1 292 . 1 1 25 25 GLN CB C 13 28.795 0.25 . 1 . . . . 25 GLN CB . 6751 1 293 . 1 1 25 25 GLN CG C 13 34.185 0.25 . 1 . . . . 25 GLN CG . 6751 1 294 . 1 1 25 25 GLN N N 15 114.685 0.2 . 1 . . . . 25 GLN N . 6751 1 295 . 1 1 25 25 GLN NE2 N 15 112.356 0.2 . 1 . . . . 25 GLN NE2 . 6751 1 296 . 1 1 26 26 GLN H H 1 7.764 0.02 . 1 . . . . 26 GLN HN . 6751 1 297 . 1 1 26 26 GLN HA H 1 3.968 0.02 . 1 . . . . 26 GLN HA . 6751 1 298 . 1 1 26 26 GLN HB2 H 1 1.972 0.02 . 2 . . . . 26 GLN HB2 . 6751 1 299 . 1 1 26 26 GLN HB3 H 1 1.93 0.02 . 2 . . . . 26 GLN HB3 . 6751 1 300 . 1 1 26 26 GLN HG2 H 1 2.247 0.02 . 2 . . . . 26 GLN HG2 . 6751 1 301 . 1 1 26 26 GLN HG3 H 1 2.16 0.02 . 2 . . . . 26 GLN HG3 . 6751 1 302 . 1 1 26 26 GLN HE21 H 1 5.947 0.02 . 2 . . . . 26 GLN HE21 . 6751 1 303 . 1 1 26 26 GLN HE22 H 1 7.24 0.02 . 2 . . . . 26 GLN HE22 . 6751 1 304 . 1 1 26 26 GLN C C 13 177.757 0.25 . 1 . . . . 26 GLN C . 6751 1 305 . 1 1 26 26 GLN CA C 13 58.185 0.25 . 1 . . . . 26 GLN CA . 6751 1 306 . 1 1 26 26 GLN CB C 13 29.185 0.25 . 1 . . . . 26 GLN CB . 6751 1 307 . 1 1 26 26 GLN CG C 13 33.656 0.25 . 1 . . . . 26 GLN CG . 6751 1 308 . 1 1 26 26 GLN N N 15 118.033 0.2 . 1 . . . . 26 GLN N . 6751 1 309 . 1 1 26 26 GLN NE2 N 15 108.611 0.2 . 1 . . . . 26 GLN NE2 . 6751 1 310 . 1 1 27 27 LEU H H 1 8.097 0.02 . 1 . . . . 27 LEU HN . 6751 1 311 . 1 1 27 27 LEU HA H 1 4.233 0.02 . 1 . . . . 27 LEU HA . 6751 1 312 . 1 1 27 27 LEU HB2 H 1 1.624 0.02 . 2 . . . . 27 LEU HB2 . 6751 1 313 . 1 1 27 27 LEU HB3 H 1 1.531 0.02 . 2 . . . . 27 LEU HB3 . 6751 1 314 . 1 1 27 27 LEU HG H 1 1.651 0.02 . 1 . . . . 27 LEU HG . 6751 1 315 . 1 1 27 27 LEU HD11 H 1 0.492 0.02 . 2 . . . . 27 LEU QD1 . 6751 1 316 . 1 1 27 27 LEU HD12 H 1 0.492 0.02 . 2 . . . . 27 LEU QD1 . 6751 1 317 . 1 1 27 27 LEU HD13 H 1 0.492 0.02 . 2 . . . . 27 LEU QD1 . 6751 1 318 . 1 1 27 27 LEU HD21 H 1 0.809 0.02 . 2 . . . . 27 LEU QD2 . 6751 1 319 . 1 1 27 27 LEU HD22 H 1 0.809 0.02 . 2 . . . . 27 LEU QD2 . 6751 1 320 . 1 1 27 27 LEU HD23 H 1 0.809 0.02 . 2 . . . . 27 LEU QD2 . 6751 1 321 . 1 1 27 27 LEU C C 13 176.254 0.25 . 1 . . . . 27 LEU C . 6751 1 322 . 1 1 27 27 LEU CA C 13 54.935 0.25 . 1 . . . . 27 LEU CA . 6751 1 323 . 1 1 27 27 LEU CB C 13 42.935 0.25 . 1 . . . . 27 LEU CB . 6751 1 324 . 1 1 27 27 LEU CG C 13 27.435 0.25 . 1 . . . . 27 LEU CG . 6751 1 325 . 1 1 27 27 LEU CD1 C 13 24.935 0.25 . 2 . . . . 27 LEU CD1 . 6751 1 326 . 1 1 27 27 LEU CD2 C 13 22.685 0.25 . 2 . . . . 27 LEU CD2 . 6751 1 327 . 1 1 27 27 LEU N N 15 117.298 0.2 . 1 . . . . 27 LEU N . 6751 1 328 . 1 1 28 28 ASP H H 1 7.809 0.02 . 1 . . . . 28 ASP HN . 6751 1 329 . 1 1 28 28 ASP HA H 1 4.33 0.02 . 1 . . . . 28 ASP HA . 6751 1 330 . 1 1 28 28 ASP HB2 H 1 3.184 0.02 . 2 . . . . 28 ASP HB2 . 6751 1 331 . 1 1 28 28 ASP HB3 H 1 2.434 0.02 . 2 . . . . 28 ASP HB3 . 6751 1 332 . 1 1 28 28 ASP C C 13 174.849 0.25 . 1 . . . . 28 ASP C . 6751 1 333 . 1 1 28 28 ASP CA C 13 54.685 0.25 . 1 . . . . 28 ASP CA . 6751 1 334 . 1 1 28 28 ASP CB C 13 39.285 0.25 . 1 . . . . 28 ASP CB . 6751 1 335 . 1 1 28 28 ASP N N 15 119.712 0.2 . 1 . . . . 28 ASP N . 6751 1 336 . 1 1 29 29 VAL H H 1 7.82 0.02 . 1 . . . . 29 VAL HN . 6751 1 337 . 1 1 29 29 VAL HA H 1 4.628 0.02 . 1 . . . . 29 VAL HA . 6751 1 338 . 1 1 29 29 VAL HB H 1 2.319 0.02 . 1 . . . . 29 VAL HB . 6751 1 339 . 1 1 29 29 VAL HG11 H 1 0.839 0.02 . 2 . . . . 29 VAL QG1 . 6751 1 340 . 1 1 29 29 VAL HG12 H 1 0.839 0.02 . 2 . . . . 29 VAL QG1 . 6751 1 341 . 1 1 29 29 VAL HG13 H 1 0.839 0.02 . 2 . . . . 29 VAL QG1 . 6751 1 342 . 1 1 29 29 VAL HG21 H 1 0.657 0.02 . 2 . . . . 29 VAL QG2 . 6751 1 343 . 1 1 29 29 VAL HG22 H 1 0.657 0.02 . 2 . . . . 29 VAL QG2 . 6751 1 344 . 1 1 29 29 VAL HG23 H 1 0.657 0.02 . 2 . . . . 29 VAL QG2 . 6751 1 345 . 1 1 29 29 VAL C C 13 174.723 0.25 . 1 . . . . 29 VAL C . 6751 1 346 . 1 1 29 29 VAL CA C 13 58.685 0.25 . 1 . . . . 29 VAL CA . 6751 1 347 . 1 1 29 29 VAL CB C 13 34.935 0.25 . 1 . . . . 29 VAL CB . 6751 1 348 . 1 1 29 29 VAL CG1 C 13 21.435 0.25 . 2 . . . . 29 VAL CG1 . 6751 1 349 . 1 1 29 29 VAL CG2 C 13 19.185 0.25 . 2 . . . . 29 VAL CG2 . 6751 1 350 . 1 1 29 29 VAL N N 15 110.96 0.2 . 1 . . . . 29 VAL N . 6751 1 351 . 1 1 30 30 ASP H H 1 8.391 0.02 . 1 . . . . 30 ASP HN . 6751 1 352 . 1 1 30 30 ASP HA H 1 4.75 0.02 . 1 . . . . 30 ASP HA . 6751 1 353 . 1 1 30 30 ASP HB2 H 1 2.681 0.02 . 2 . . . . 30 ASP HB2 . 6751 1 354 . 1 1 30 30 ASP HB3 H 1 2.495 0.02 . 2 . . . . 30 ASP HB3 . 6751 1 355 . 1 1 30 30 ASP CA C 13 52.435 0.25 . 1 . . . . 30 ASP CA . 6751 1 356 . 1 1 30 30 ASP CB C 13 41.935 0.25 . 1 . . . . 30 ASP CB . 6751 1 357 . 1 1 30 30 ASP N N 15 122.26 0.2 . 1 . . . . 30 ASP N . 6751 1 358 . 1 1 31 31 PRO HA H 1 3.957 0.02 . 1 . . . . 31 PRO HA . 6751 1 359 . 1 1 31 31 PRO HB2 H 1 2.164 0.02 . 2 . . . . 31 PRO HB2 . 6751 1 360 . 1 1 31 31 PRO HB3 H 1 1.908 0.02 . 2 . . . . 31 PRO HB3 . 6751 1 361 . 1 1 31 31 PRO HG2 H 1 2.055 0.02 . 2 . . . . 31 PRO HG2 . 6751 1 362 . 1 1 31 31 PRO HG3 H 1 1.883 0.02 . 2 . . . . 31 PRO HG3 . 6751 1 363 . 1 1 31 31 PRO HD2 H 1 3.78 0.02 . 2 . . . . 31 PRO HD2 . 6751 1 364 . 1 1 31 31 PRO HD3 H 1 3.729 0.02 . 2 . . . . 31 PRO HD3 . 6751 1 365 . 1 1 31 31 PRO C C 13 177.897 0.25 . 1 . . . . 31 PRO C . 6751 1 366 . 1 1 31 31 PRO CA C 13 65.685 0.25 . 1 . . . . 31 PRO CA . 6751 1 367 . 1 1 31 31 PRO CB C 13 31.935 0.25 . 1 . . . . 31 PRO CB . 6751 1 368 . 1 1 31 31 PRO CG C 13 27.685 0.25 . 1 . . . . 31 PRO CG . 6751 1 369 . 1 1 31 31 PRO CD C 13 50.185 0.25 . 1 . . . . 31 PRO CD . 6751 1 370 . 1 1 32 32 ASP H H 1 8.619 0.02 . 1 . . . . 32 ASP HN . 6751 1 371 . 1 1 32 32 ASP HA H 1 4.452 0.02 . 1 . . . . 32 ASP HA . 6751 1 372 . 1 1 32 32 ASP HB2 H 1 2.67 0.02 . 2 . . . . 32 ASP HB2 . 6751 1 373 . 1 1 32 32 ASP HB3 H 1 2.523 0.02 . 2 . . . . 32 ASP HB3 . 6751 1 374 . 1 1 32 32 ASP C C 13 176.773 0.25 . 1 . . . . 32 ASP C . 6751 1 375 . 1 1 32 32 ASP CA C 13 55.935 0.25 . 1 . . . . 32 ASP CA . 6751 1 376 . 1 1 32 32 ASP CB C 13 40.053 0.25 . 1 . . . . 32 ASP CB . 6751 1 377 . 1 1 32 32 ASP N N 15 115.222 0.2 . 1 . . . . 32 ASP N . 6751 1 378 . 1 1 33 33 ASP H H 1 8.218 0.02 . 1 . . . . 33 ASP HN . 6751 1 379 . 1 1 33 33 ASP HA H 1 4.691 0.02 . 1 . . . . 33 ASP HA . 6751 1 380 . 1 1 33 33 ASP HB2 H 1 2.808 0.02 . 2 . . . . 33 ASP QB . 6751 1 381 . 1 1 33 33 ASP HB3 H 1 2.808 0.02 . 2 . . . . 33 ASP QB . 6751 1 382 . 1 1 33 33 ASP C C 13 176.478 0.25 . 1 . . . . 33 ASP C . 6751 1 383 . 1 1 33 33 ASP CA C 13 54.435 0.25 . 1 . . . . 33 ASP CA . 6751 1 384 . 1 1 33 33 ASP CB C 13 41.185 0.25 . 1 . . . . 33 ASP CB . 6751 1 385 . 1 1 33 33 ASP N N 15 117.748 0.2 . 1 . . . . 33 ASP N . 6751 1 386 . 1 1 34 34 ILE H H 1 7.265 0.02 . 1 . . . . 34 ILE HN . 6751 1 387 . 1 1 34 34 ILE HA H 1 3.951 0.02 . 1 . . . . 34 ILE HA . 6751 1 388 . 1 1 34 34 ILE HB H 1 2.248 0.02 . 1 . . . . 34 ILE HB . 6751 1 389 . 1 1 34 34 ILE HG12 H 1 1.383 0.02 . 2 . . . . 34 ILE QG1 . 6751 1 390 . 1 1 34 34 ILE HG13 H 1 1.383 0.02 . 2 . . . . 34 ILE QG1 . 6751 1 391 . 1 1 34 34 ILE HG21 H 1 0.684 0.02 . 1 . . . . 34 ILE QG2 . 6751 1 392 . 1 1 34 34 ILE HG22 H 1 0.684 0.02 . 1 . . . . 34 ILE QG2 . 6751 1 393 . 1 1 34 34 ILE HG23 H 1 0.684 0.02 . 1 . . . . 34 ILE QG2 . 6751 1 394 . 1 1 34 34 ILE HD11 H 1 0.388 0.02 . 1 . . . . 34 ILE QD1 . 6751 1 395 . 1 1 34 34 ILE HD12 H 1 0.388 0.02 . 1 . . . . 34 ILE QD1 . 6751 1 396 . 1 1 34 34 ILE HD13 H 1 0.388 0.02 . 1 . . . . 34 ILE QD1 . 6751 1 397 . 1 1 34 34 ILE C C 13 174.245 0.25 . 1 . . . . 34 ILE C . 6751 1 398 . 1 1 34 34 ILE CA C 13 58.935 0.25 . 1 . . . . 34 ILE CA . 6751 1 399 . 1 1 34 34 ILE CB C 13 35.935 0.25 . 1 . . . . 34 ILE CB . 6751 1 400 . 1 1 34 34 ILE CG1 C 13 26.435 0.25 . 1 . . . . 34 ILE CG1 . 6751 1 401 . 1 1 34 34 ILE CG2 C 13 17.935 0.25 . 1 . . . . 34 ILE CG2 . 6751 1 402 . 1 1 34 34 ILE CD1 C 13 10.185 0.25 . 1 . . . . 34 ILE CD1 . 6751 1 403 . 1 1 34 34 ILE N N 15 121.256 0.2 . 1 . . . . 34 ILE N . 6751 1 404 . 1 1 35 35 ASP H H 1 8.496 0.02 . 1 . . . . 35 ASP HN . 6751 1 405 . 1 1 35 35 ASP HA H 1 4.88 0.02 . 1 . . . . 35 ASP HA . 6751 1 406 . 1 1 35 35 ASP HB2 H 1 3.016 0.02 . 2 . . . . 35 ASP HB2 . 6751 1 407 . 1 1 35 35 ASP HB3 H 1 2.624 0.02 . 2 . . . . 35 ASP HB3 . 6751 1 408 . 1 1 35 35 ASP C C 13 178.206 0.25 . 1 . . . . 35 ASP C . 6751 1 409 . 1 1 35 35 ASP CA C 13 52.185 0.25 . 1 . . . . 35 ASP CA . 6751 1 410 . 1 1 35 35 ASP CB C 13 42.685 0.25 . 1 . . . . 35 ASP CB . 6751 1 411 . 1 1 35 35 ASP N N 15 128.206 0.2 . 1 . . . . 35 ASP N . 6751 1 412 . 1 1 36 36 MET H H 1 9.274 0.02 . 1 . . . . 36 MET HN . 6751 1 413 . 1 1 36 36 MET HA H 1 4.163 0.02 . 1 . . . . 36 MET HA . 6751 1 414 . 1 1 36 36 MET HB2 H 1 2.31 0.02 . 2 . . . . 36 MET HB2 . 6751 1 415 . 1 1 36 36 MET HB3 H 1 2.023 0.02 . 2 . . . . 36 MET HB3 . 6751 1 416 . 1 1 36 36 MET HG2 H 1 2.725 0.02 . 2 . . . . 36 MET HG2 . 6751 1 417 . 1 1 36 36 MET HG3 H 1 2.298 0.02 . 2 . . . . 36 MET HG3 . 6751 1 418 . 1 1 36 36 MET C C 13 174.428 0.25 . 1 . . . . 36 MET C . 6751 1 419 . 1 1 36 36 MET CA C 13 59.185 0.25 . 1 . . . . 36 MET CA . 6751 1 420 . 1 1 36 36 MET CB C 13 34.185 0.25 . 1 . . . . 36 MET CB . 6751 1 421 . 1 1 36 36 MET CG C 13 32.121 0.25 . 1 . . . . 36 MET CG . 6751 1 422 . 1 1 36 36 MET N N 15 125.224 0.2 . 1 . . . . 36 MET N . 6751 1 423 . 1 1 37 37 GLU H H 1 8.665 0.02 . 1 . . . . 37 GLU HN . 6751 1 424 . 1 1 37 37 GLU HA H 1 4.59 0.02 . 1 . . . . 37 GLU HA . 6751 1 425 . 1 1 37 37 GLU HB2 H 1 2.26 0.02 . 2 . . . . 37 GLU HB2 . 6751 1 426 . 1 1 37 37 GLU HB3 H 1 1.832 0.02 . 2 . . . . 37 GLU HB3 . 6751 1 427 . 1 1 37 37 GLU HG2 H 1 2.25 0.02 . 2 . . . . 37 GLU HG2 . 6751 1 428 . 1 1 37 37 GLU HG3 H 1 2.109 0.02 . 2 . . . . 37 GLU HG3 . 6751 1 429 . 1 1 37 37 GLU C C 13 175.931 0.25 . 1 . . . . 37 GLU C . 6751 1 430 . 1 1 37 37 GLU CA C 13 54.935 0.25 . 1 . . . . 37 GLU CA . 6751 1 431 . 1 1 37 37 GLU CB C 13 29.685 0.25 . 1 . . . . 37 GLU CB . 6751 1 432 . 1 1 37 37 GLU CG C 13 36.185 0.25 . 1 . . . . 37 GLU CG . 6751 1 433 . 1 1 37 37 GLU N N 15 114.68 0.2 . 1 . . . . 37 GLU N . 6751 1 434 . 1 1 38 38 GLU H H 1 7.066 0.02 . 1 . . . . 38 GLU HN . 6751 1 435 . 1 1 38 38 GLU HA H 1 4.328 0.02 . 1 . . . . 38 GLU HA . 6751 1 436 . 1 1 38 38 GLU HB2 H 1 2.005 0.02 . 2 . . . . 38 GLU HB2 . 6751 1 437 . 1 1 38 38 GLU HB3 H 1 1.885 0.02 . 2 . . . . 38 GLU HB3 . 6751 1 438 . 1 1 38 38 GLU HG2 H 1 2.151 0.02 . 2 . . . . 38 GLU HG2 . 6751 1 439 . 1 1 38 38 GLU HG3 H 1 1.888 0.02 . 2 . . . . 38 GLU HG3 . 6751 1 440 . 1 1 38 38 GLU C C 13 175.65 0.25 . 1 . . . . 38 GLU C . 6751 1 441 . 1 1 38 38 GLU CA C 13 55.185 0.25 . 1 . . . . 38 GLU CA . 6751 1 442 . 1 1 38 38 GLU CB C 13 30.935 0.25 . 1 . . . . 38 GLU CB . 6751 1 443 . 1 1 38 38 GLU CG C 13 34.936 0.25 . 1 . . . . 38 GLU CG . 6751 1 444 . 1 1 38 38 GLU N N 15 122.088 0.2 . 1 . . . . 38 GLU N . 6751 1 445 . 1 1 39 39 SER H H 1 8.843 0.02 . 1 . . . . 39 SER HN . 6751 1 446 . 1 1 39 39 SER HA H 1 4.755 0.02 . 1 . . . . 39 SER HA . 6751 1 447 . 1 1 39 39 SER HB2 H 1 4.049 0.02 . 2 . . . . 39 SER HB2 . 6751 1 448 . 1 1 39 39 SER HB3 H 1 3.756 0.02 . 2 . . . . 39 SER HB3 . 6751 1 449 . 1 1 39 39 SER C C 13 177.883 0.25 . 1 . . . . 39 SER C . 6751 1 450 . 1 1 39 39 SER CA C 13 57.435 0.25 . 1 . . . . 39 SER CA . 6751 1 451 . 1 1 39 39 SER CB C 13 64.185 0.25 . 1 . . . . 39 SER CB . 6751 1 452 . 1 1 39 39 SER N N 15 120.79 0.2 . 1 . . . . 39 SER N . 6751 1 453 . 1 1 40 40 PHE H H 1 8.496 0.02 . 1 . . . . 40 PHE HN . 6751 1 454 . 1 1 40 40 PHE HA H 1 4.502 0.02 . 1 . . . . 40 PHE HA . 6751 1 455 . 1 1 40 40 PHE HB2 H 1 3.431 0.02 . 2 . . . . 40 PHE HB2 . 6751 1 456 . 1 1 40 40 PHE HB3 H 1 3.15 0.02 . 2 . . . . 40 PHE HB3 . 6751 1 457 . 1 1 40 40 PHE HD1 H 1 7.11 0.02 . 3 . . . . 40 PHE QD . 6751 1 458 . 1 1 40 40 PHE HD2 H 1 7.11 0.02 . 3 . . . . 40 PHE QD . 6751 1 459 . 1 1 40 40 PHE HE1 H 1 7.29 0.02 . 3 . . . . 40 PHE QE . 6751 1 460 . 1 1 40 40 PHE HE2 H 1 7.29 0.02 . 3 . . . . 40 PHE QE . 6751 1 461 . 1 1 40 40 PHE HZ H 1 6.861 0.02 . 1 . . . . 40 PHE HZ . 6751 1 462 . 1 1 40 40 PHE C C 13 178.613 0.25 . 1 . . . . 40 PHE C . 6751 1 463 . 1 1 40 40 PHE CA C 13 57.935 0.25 . 1 . . . . 40 PHE CA . 6751 1 464 . 1 1 40 40 PHE CB C 13 37.238 0.25 . 1 . . . . 40 PHE CB . 6751 1 465 . 1 1 40 40 PHE N N 15 122.318 0.2 . 1 . . . . 40 PHE N . 6751 1 466 . 1 1 41 41 ASP H H 1 8.871 0.02 . 1 . . . . 41 ASP HN . 6751 1 467 . 1 1 41 41 ASP HA H 1 4.531 0.02 . 1 . . . . 41 ASP HA . 6751 1 468 . 1 1 41 41 ASP HB2 H 1 2.726 0.02 . 2 . . . . 41 ASP HB2 . 6751 1 469 . 1 1 41 41 ASP HB3 H 1 2.63 0.02 . 2 . . . . 41 ASP HB3 . 6751 1 470 . 1 1 41 41 ASP C C 13 178.684 0.25 . 1 . . . . 41 ASP C . 6751 1 471 . 1 1 41 41 ASP CA C 13 56.435 0.25 . 1 . . . . 41 ASP CA . 6751 1 472 . 1 1 41 41 ASP CB C 13 39.685 0.25 . 1 . . . . 41 ASP CB . 6751 1 473 . 1 1 41 41 ASP N N 15 118.332 0.2 . 1 . . . . 41 ASP N . 6751 1 474 . 1 1 42 42 ASN H H 1 7.888 0.02 . 1 . . . . 42 ASN HN . 6751 1 475 . 1 1 42 42 ASN HA H 1 4.701 0.02 . 1 . . . . 42 ASN HA . 6751 1 476 . 1 1 42 42 ASN HB2 H 1 2.678 0.02 . 2 . . . . 42 ASN QB . 6751 1 477 . 1 1 42 42 ASN HB3 H 1 2.678 0.02 . 2 . . . . 42 ASN QB . 6751 1 478 . 1 1 42 42 ASN HD21 H 1 6.815 0.02 . 2 . . . . 42 ASN HD21 . 6751 1 479 . 1 1 42 42 ASN HD22 H 1 7.765 0.02 . 2 . . . . 42 ASN HD22 . 6751 1 480 . 1 1 42 42 ASN C C 13 176.001 0.25 . 1 . . . . 42 ASN C . 6751 1 481 . 1 1 42 42 ASN CA C 13 53.935 0.25 . 1 . . . . 42 ASN CA . 6751 1 482 . 1 1 42 42 ASN CB C 13 37.935 0.25 . 1 . . . . 42 ASN CB . 6751 1 483 . 1 1 42 42 ASN N N 15 118.168 0.2 . 1 . . . . 42 ASN N . 6751 1 484 . 1 1 42 42 ASN ND2 N 15 113.921 0.2 . 1 . . . . 42 ASN ND2 . 6751 1 485 . 1 1 43 43 TYR H H 1 7.611 0.02 . 1 . . . . 43 TYR HN . 6751 1 486 . 1 1 43 43 TYR HA H 1 5.005 0.02 . 1 . . . . 43 TYR HA . 6751 1 487 . 1 1 43 43 TYR HB2 H 1 3.513 0.02 . 2 . . . . 43 TYR HB2 . 6751 1 488 . 1 1 43 43 TYR HB3 H 1 2.948 0.02 . 2 . . . . 43 TYR HB3 . 6751 1 489 . 1 1 43 43 TYR HD1 H 1 6.925 0.02 . 3 . . . . 43 TYR QD . 6751 1 490 . 1 1 43 43 TYR HD2 H 1 6.925 0.02 . 3 . . . . 43 TYR QD . 6751 1 491 . 1 1 43 43 TYR HE1 H 1 6.681 0.02 . 3 . . . . 43 TYR QE . 6751 1 492 . 1 1 43 43 TYR HE2 H 1 6.681 0.02 . 3 . . . . 43 TYR QE . 6751 1 493 . 1 1 43 43 TYR C C 13 174.54 0.25 . 1 . . . . 43 TYR C . 6751 1 494 . 1 1 43 43 TYR CA C 13 55.435 0.25 . 1 . . . . 43 TYR CA . 6751 1 495 . 1 1 43 43 TYR CB C 13 38.435 0.25 . 1 . . . . 43 TYR CB . 6751 1 496 . 1 1 43 43 TYR N N 15 119.504 0.2 . 1 . . . . 43 TYR N . 6751 1 497 . 1 1 44 44 ASP H H 1 7.973 0.02 . 1 . . . . 44 ASP HN . 6751 1 498 . 1 1 44 44 ASP HA H 1 4.487 0.02 . 1 . . . . 44 ASP HA . 6751 1 499 . 1 1 44 44 ASP HB2 H 1 2.984 0.02 . 2 . . . . 44 ASP HB2 . 6751 1 500 . 1 1 44 44 ASP HB3 H 1 2.526 0.02 . 2 . . . . 44 ASP HB3 . 6751 1 501 . 1 1 44 44 ASP C C 13 175.327 0.25 . 1 . . . . 44 ASP C . 6751 1 502 . 1 1 44 44 ASP CA C 13 54.685 0.25 . 1 . . . . 44 ASP CA . 6751 1 503 . 1 1 44 44 ASP CB C 13 39.685 0.25 . 1 . . . . 44 ASP CB . 6751 1 504 . 1 1 44 44 ASP N N 15 117.009 0.2 . 1 . . . . 44 ASP N . 6751 1 505 . 1 1 45 45 LEU H H 1 7.718 0.02 . 1 . . . . 45 LEU HN . 6751 1 506 . 1 1 45 45 LEU HA H 1 4.268 0.02 . 1 . . . . 45 LEU HA . 6751 1 507 . 1 1 45 45 LEU HB2 H 1 1.943 0.02 . 2 . . . . 45 LEU HB2 . 6751 1 508 . 1 1 45 45 LEU HB3 H 1 1.269 0.02 . 2 . . . . 45 LEU HB3 . 6751 1 509 . 1 1 45 45 LEU HG H 1 1.466 0.02 . 1 . . . . 45 LEU HG . 6751 1 510 . 1 1 45 45 LEU HD11 H 1 0.671 0.02 . 2 . . . . 45 LEU QD1 . 6751 1 511 . 1 1 45 45 LEU HD12 H 1 0.671 0.02 . 2 . . . . 45 LEU QD1 . 6751 1 512 . 1 1 45 45 LEU HD13 H 1 0.671 0.02 . 2 . . . . 45 LEU QD1 . 6751 1 513 . 1 1 45 45 LEU HD21 H 1 0.664 0.02 . 2 . . . . 45 LEU QD2 . 6751 1 514 . 1 1 45 45 LEU HD22 H 1 0.664 0.02 . 2 . . . . 45 LEU QD2 . 6751 1 515 . 1 1 45 45 LEU HD23 H 1 0.664 0.02 . 2 . . . . 45 LEU QD2 . 6751 1 516 . 1 1 45 45 LEU C C 13 175.299 0.25 . 1 . . . . 45 LEU C . 6751 1 517 . 1 1 45 45 LEU CA C 13 54.935 0.25 . 1 . . . . 45 LEU CA . 6751 1 518 . 1 1 45 45 LEU CB C 13 41.935 0.25 . 1 . . . . 45 LEU CB . 6751 1 519 . 1 1 45 45 LEU CG C 13 27.185 0.25 . 1 . . . . 45 LEU CG . 6751 1 520 . 1 1 45 45 LEU CD1 C 13 25.435 0.25 . 2 . . . . 45 LEU CD1 . 6751 1 521 . 1 1 45 45 LEU CD2 C 13 24.435 0.25 . 2 . . . . 45 LEU CD2 . 6751 1 522 . 1 1 45 45 LEU N N 15 120.029 0.2 . 1 . . . . 45 LEU N . 6751 1 523 . 1 1 46 46 ASN H H 1 7.409 0.02 . 1 . . . . 46 ASN HN . 6751 1 524 . 1 1 46 46 ASN HA H 1 4.781 0.02 . 1 . . . . 46 ASN HA . 6751 1 525 . 1 1 46 46 ASN HB2 H 1 3.359 0.02 . 2 . . . . 46 ASN HB2 . 6751 1 526 . 1 1 46 46 ASN HB3 H 1 2.971 0.02 . 2 . . . . 46 ASN HB3 . 6751 1 527 . 1 1 46 46 ASN HD21 H 1 7.073 0.02 . 2 . . . . 46 ASN HD21 . 6751 1 528 . 1 1 46 46 ASN HD22 H 1 7.755 0.02 . 2 . . . . 46 ASN HD22 . 6751 1 529 . 1 1 46 46 ASN C C 13 175.144 0.25 . 1 . . . . 46 ASN C . 6751 1 530 . 1 1 46 46 ASN CA C 13 52.185 0.25 . 1 . . . . 46 ASN CA . 6751 1 531 . 1 1 46 46 ASN CB C 13 38.774 0.25 . 1 . . . . 46 ASN CB . 6751 1 532 . 1 1 46 46 ASN N N 15 122.261 0.2 . 1 . . . . 46 ASN N . 6751 1 533 . 1 1 46 46 ASN ND2 N 15 112.779 0.2 . 1 . . . . 46 ASN ND2 . 6751 1 534 . 1 1 47 47 SER H H 1 8.735 0.02 . 1 . . . . 47 SER HN . 6751 1 535 . 1 1 47 47 SER C C 13 176.212 0.25 . 1 . . . . 47 SER C . 6751 1 536 . 1 1 47 47 SER N N 15 113.718 0.2 . 1 . . . . 47 SER N . 6751 1 537 . 1 1 48 48 SER H H 1 8.092 0.02 . 1 . . . . 48 SER HN . 6751 1 538 . 1 1 48 48 SER HA H 1 4.251 0.02 . 1 . . . . 48 SER HA . 6751 1 539 . 1 1 48 48 SER HB2 H 1 3.955 0.02 . 2 . . . . 48 SER QB . 6751 1 540 . 1 1 48 48 SER HB3 H 1 3.955 0.02 . 2 . . . . 48 SER QB . 6751 1 541 . 1 1 48 48 SER CA C 13 61.685 0.25 . 1 . . . . 48 SER CA . 6751 1 542 . 1 1 48 48 SER CB C 13 62.935 0.25 . 1 . . . . 48 SER CB . 6751 1 543 . 1 1 48 48 SER N N 15 116.577 0.2 . 1 . . . . 48 SER N . 6751 1 544 . 1 1 49 49 LYS HA H 1 3.968 0.02 . 1 . . . . 49 LYS HA . 6751 1 545 . 1 1 49 49 LYS HB2 H 1 1.749 0.02 . 2 . . . . 49 LYS QB . 6751 1 546 . 1 1 49 49 LYS HB3 H 1 1.749 0.02 . 2 . . . . 49 LYS QB . 6751 1 547 . 1 1 49 49 LYS HG2 H 1 1.715 0.02 . 2 . . . . 49 LYS HG2 . 6751 1 548 . 1 1 49 49 LYS HG3 H 1 1.473 0.02 . 2 . . . . 49 LYS HG3 . 6751 1 549 . 1 1 49 49 LYS HE2 H 1 3.05 0.02 . 2 . . . . 49 LYS QE . 6751 1 550 . 1 1 49 49 LYS HE3 H 1 3.05 0.02 . 2 . . . . 49 LYS QE . 6751 1 551 . 1 1 49 49 LYS C C 13 179.372 0.25 . 1 . . . . 49 LYS C . 6751 1 552 . 1 1 49 49 LYS CA C 13 59.685 0.25 . 1 . . . . 49 LYS CA . 6751 1 553 . 1 1 49 49 LYS CB C 13 33.185 0.25 . 1 . . . . 49 LYS CB . 6751 1 554 . 1 1 49 49 LYS CG C 13 26.237 0.25 . 1 . . . . 49 LYS CG . 6751 1 555 . 1 1 49 49 LYS CE C 13 42.435 0.25 . 1 . . . . 49 LYS CE . 6751 1 556 . 1 1 50 50 ALA H H 1 8.769 0.02 . 1 . . . . 50 ALA HN . 6751 1 557 . 1 1 50 50 ALA HA H 1 3.818 0.02 . 1 . . . . 50 ALA HA . 6751 1 558 . 1 1 50 50 ALA HB1 H 1 1.387 0.02 . 1 . . . . 50 ALA QB . 6751 1 559 . 1 1 50 50 ALA HB2 H 1 1.387 0.02 . 1 . . . . 50 ALA QB . 6751 1 560 . 1 1 50 50 ALA HB3 H 1 1.387 0.02 . 1 . . . . 50 ALA QB . 6751 1 561 . 1 1 50 50 ALA C C 13 178.824 0.25 . 1 . . . . 50 ALA C . 6751 1 562 . 1 1 50 50 ALA CA C 13 55.435 0.25 . 1 . . . . 50 ALA CA . 6751 1 563 . 1 1 50 50 ALA CB C 13 17.935 0.25 . 1 . . . . 50 ALA CB . 6751 1 564 . 1 1 50 50 ALA N N 15 122.407 0.2 . 1 . . . . 50 ALA N . 6751 1 565 . 1 1 51 51 LEU H H 1 7.711 0.02 . 1 . . . . 51 LEU HN . 6751 1 566 . 1 1 51 51 LEU HA H 1 4.131 0.02 . 1 . . . . 51 LEU HA . 6751 1 567 . 1 1 51 51 LEU HB2 H 1 1.934 0.02 . 2 . . . . 51 LEU HB2 . 6751 1 568 . 1 1 51 51 LEU HB3 H 1 1.663 0.02 . 2 . . . . 51 LEU HB3 . 6751 1 569 . 1 1 51 51 LEU HG H 1 1.878 0.02 . 1 . . . . 51 LEU HG . 6751 1 570 . 1 1 51 51 LEU HD11 H 1 0.977 0.02 . 2 . . . . 51 LEU QD1 . 6751 1 571 . 1 1 51 51 LEU HD12 H 1 0.977 0.02 . 2 . . . . 51 LEU QD1 . 6751 1 572 . 1 1 51 51 LEU HD13 H 1 0.977 0.02 . 2 . . . . 51 LEU QD1 . 6751 1 573 . 1 1 51 51 LEU HD21 H 1 0.939 0.02 . 2 . . . . 51 LEU QD2 . 6751 1 574 . 1 1 51 51 LEU HD22 H 1 0.939 0.02 . 2 . . . . 51 LEU QD2 . 6751 1 575 . 1 1 51 51 LEU HD23 H 1 0.939 0.02 . 2 . . . . 51 LEU QD2 . 6751 1 576 . 1 1 51 51 LEU C C 13 180.692 0.25 . 1 . . . . 51 LEU C . 6751 1 577 . 1 1 51 51 LEU CA C 13 57.685 0.25 . 1 . . . . 51 LEU CA . 6751 1 578 . 1 1 51 51 LEU CB C 13 41.435 0.25 . 1 . . . . 51 LEU CB . 6751 1 579 . 1 1 51 51 LEU CG C 13 27.185 0.25 . 1 . . . . 51 LEU CG . 6751 1 580 . 1 1 51 51 LEU CD1 C 13 24.685 0.25 . 2 . . . . 51 LEU CD1 . 6751 1 581 . 1 1 51 51 LEU CD2 C 13 23.435 0.25 . 2 . . . . 51 LEU CD2 . 6751 1 582 . 1 1 51 51 LEU N N 15 117.195 0.2 . 1 . . . . 51 LEU N . 6751 1 583 . 1 1 52 52 ILE H H 1 7.599 0.02 . 1 . . . . 52 ILE HN . 6751 1 584 . 1 1 52 52 ILE HA H 1 3.789 0.02 . 1 . . . . 52 ILE HA . 6751 1 585 . 1 1 52 52 ILE HB H 1 1.91 0.02 . 1 . . . . 52 ILE HB . 6751 1 586 . 1 1 52 52 ILE HG12 H 1 1.73 0.02 . 2 . . . . 52 ILE HG12 . 6751 1 587 . 1 1 52 52 ILE HG13 H 1 1.176 0.02 . 2 . . . . 52 ILE HG13 . 6751 1 588 . 1 1 52 52 ILE HG21 H 1 0.825 0.02 . 1 . . . . 52 ILE QG2 . 6751 1 589 . 1 1 52 52 ILE HG22 H 1 0.825 0.02 . 1 . . . . 52 ILE QG2 . 6751 1 590 . 1 1 52 52 ILE HG23 H 1 0.825 0.02 . 1 . . . . 52 ILE QG2 . 6751 1 591 . 1 1 52 52 ILE HD11 H 1 0.829 0.02 . 1 . . . . 52 ILE QD1 . 6751 1 592 . 1 1 52 52 ILE HD12 H 1 0.829 0.02 . 1 . . . . 52 ILE QD1 . 6751 1 593 . 1 1 52 52 ILE HD13 H 1 0.829 0.02 . 1 . . . . 52 ILE QD1 . 6751 1 594 . 1 1 52 52 ILE C C 13 179.007 0.25 . 1 . . . . 52 ILE C . 6751 1 595 . 1 1 52 52 ILE CA C 13 64.435 0.25 . 1 . . . . 52 ILE CA . 6751 1 596 . 1 1 52 52 ILE CB C 13 37.685 0.25 . 1 . . . . 52 ILE CB . 6751 1 597 . 1 1 52 52 ILE CG1 C 13 28.685 0.25 . 1 . . . . 52 ILE CG1 . 6751 1 598 . 1 1 52 52 ILE CG2 C 13 16.685 0.25 . 1 . . . . 52 ILE CG2 . 6751 1 599 . 1 1 52 52 ILE CD1 C 13 12.685 0.25 . 1 . . . . 52 ILE CD1 . 6751 1 600 . 1 1 52 52 ILE N N 15 122.013 0.2 . 1 . . . . 52 ILE N . 6751 1 601 . 1 1 53 53 LEU H H 1 7.838 0.02 . 1 . . . . 53 LEU HN . 6751 1 602 . 1 1 53 53 LEU HA H 1 3.91 0.02 . 1 . . . . 53 LEU HA . 6751 1 603 . 1 1 53 53 LEU HB2 H 1 1.732 0.02 . 2 . . . . 53 LEU HB2 . 6751 1 604 . 1 1 53 53 LEU HB3 H 1 1.495 0.02 . 2 . . . . 53 LEU HB3 . 6751 1 605 . 1 1 53 53 LEU HG H 1 1.48 0.02 . 1 . . . . 53 LEU HG . 6751 1 606 . 1 1 53 53 LEU HD11 H 1 0.583 0.02 . 2 . . . . 53 LEU QD1 . 6751 1 607 . 1 1 53 53 LEU HD12 H 1 0.583 0.02 . 2 . . . . 53 LEU QD1 . 6751 1 608 . 1 1 53 53 LEU HD13 H 1 0.583 0.02 . 2 . . . . 53 LEU QD1 . 6751 1 609 . 1 1 53 53 LEU HD21 H 1 0.529 0.02 . 2 . . . . 53 LEU QD2 . 6751 1 610 . 1 1 53 53 LEU HD22 H 1 0.529 0.02 . 2 . . . . 53 LEU QD2 . 6751 1 611 . 1 1 53 53 LEU HD23 H 1 0.529 0.02 . 2 . . . . 53 LEU QD2 . 6751 1 612 . 1 1 53 53 LEU C C 13 178.557 0.25 . 1 . . . . 53 LEU C . 6751 1 613 . 1 1 53 53 LEU CA C 13 58.685 0.25 . 1 . . . . 53 LEU CA . 6751 1 614 . 1 1 53 53 LEU CB C 13 41.435 0.25 . 1 . . . . 53 LEU CB . 6751 1 615 . 1 1 53 53 LEU CG C 13 27.435 0.25 . 1 . . . . 53 LEU CG . 6751 1 616 . 1 1 53 53 LEU CD1 C 13 24.935 0.25 . 2 . . . . 53 LEU CD1 . 6751 1 617 . 1 1 53 53 LEU CD2 C 13 23.935 0.25 . 2 . . . . 53 LEU CD2 . 6751 1 618 . 1 1 53 53 LEU N N 15 121.914 0.2 . 1 . . . . 53 LEU N . 6751 1 619 . 1 1 54 54 LEU H H 1 8.615 0.02 . 1 . . . . 54 LEU HN . 6751 1 620 . 1 1 54 54 LEU HA H 1 3.976 0.02 . 1 . . . . 54 LEU HA . 6751 1 621 . 1 1 54 54 LEU HB2 H 1 1.868 0.02 . 2 . . . . 54 LEU HB2 . 6751 1 622 . 1 1 54 54 LEU HB3 H 1 1.746 0.02 . 2 . . . . 54 LEU HB3 . 6751 1 623 . 1 1 54 54 LEU HG H 1 1.722 0.02 . 1 . . . . 54 LEU HG . 6751 1 624 . 1 1 54 54 LEU HD11 H 1 0.89 0.02 . 2 . . . . 54 LEU QD1 . 6751 1 625 . 1 1 54 54 LEU HD12 H 1 0.89 0.02 . 2 . . . . 54 LEU QD1 . 6751 1 626 . 1 1 54 54 LEU HD13 H 1 0.89 0.02 . 2 . . . . 54 LEU QD1 . 6751 1 627 . 1 1 54 54 LEU HD21 H 1 0.886 0.02 . 2 . . . . 54 LEU QD2 . 6751 1 628 . 1 1 54 54 LEU HD22 H 1 0.886 0.02 . 2 . . . . 54 LEU QD2 . 6751 1 629 . 1 1 54 54 LEU HD23 H 1 0.886 0.02 . 2 . . . . 54 LEU QD2 . 6751 1 630 . 1 1 54 54 LEU C C 13 178.951 0.25 . 1 . . . . 54 LEU C . 6751 1 631 . 1 1 54 54 LEU CA C 13 58.185 0.25 . 1 . . . . 54 LEU CA . 6751 1 632 . 1 1 54 54 LEU CB C 13 41.935 0.25 . 1 . . . . 54 LEU CB . 6751 1 633 . 1 1 54 54 LEU CG C 13 26.935 0.25 . 1 . . . . 54 LEU CG . 6751 1 634 . 1 1 54 54 LEU CD1 C 13 24.685 0.25 . 2 . . . . 54 LEU CD1 . 6751 1 635 . 1 1 54 54 LEU CD2 C 13 24.685 0.25 . 2 . . . . 54 LEU CD2 . 6751 1 636 . 1 1 54 54 LEU N N 15 119.192 0.2 . 1 . . . . 54 LEU N . 6751 1 637 . 1 1 55 55 GLY H H 1 8.159 0.02 . 1 . . . . 55 GLY HN . 6751 1 638 . 1 1 55 55 GLY HA2 H 1 4.071 0.02 . 2 . . . . 55 GLY HA1 . 6751 1 639 . 1 1 55 55 GLY HA3 H 1 3.993 0.02 . 2 . . . . 55 GLY HA2 . 6751 1 640 . 1 1 55 55 GLY C C 13 177.363 0.25 . 1 . . . . 55 GLY C . 6751 1 641 . 1 1 55 55 GLY CA C 13 47.185 0.25 . 1 . . . . 55 GLY CA . 6751 1 642 . 1 1 55 55 GLY N N 15 105.412 0.2 . 1 . . . . 55 GLY N . 6751 1 643 . 1 1 56 56 ARG H H 1 8.015 0.02 . 1 . . . . 56 ARG HN . 6751 1 644 . 1 1 56 56 ARG HA H 1 4.245 0.02 . 1 . . . . 56 ARG HA . 6751 1 645 . 1 1 56 56 ARG HB2 H 1 2.225 0.02 . 2 . . . . 56 ARG HB2 . 6751 1 646 . 1 1 56 56 ARG HB3 H 1 2.133 0.02 . 2 . . . . 56 ARG HB3 . 6751 1 647 . 1 1 56 56 ARG HG2 H 1 2.017 0.02 . 2 . . . . 56 ARG HG2 . 6751 1 648 . 1 1 56 56 ARG HG3 H 1 1.774 0.02 . 2 . . . . 56 ARG HG3 . 6751 1 649 . 1 1 56 56 ARG HD2 H 1 3.144 0.02 . 2 . . . . 56 ARG HD2 . 6751 1 650 . 1 1 56 56 ARG HD3 H 1 2.914 0.02 . 2 . . . . 56 ARG HD3 . 6751 1 651 . 1 1 56 56 ARG C C 13 179.611 0.25 . 1 . . . . 56 ARG C . 6751 1 652 . 1 1 56 56 ARG CA C 13 59.685 0.25 . 1 . . . . 56 ARG CA . 6751 1 653 . 1 1 56 56 ARG CB C 13 30.185 0.25 . 1 . . . . 56 ARG CB . 6751 1 654 . 1 1 56 56 ARG CG C 13 28.185 0.25 . 1 . . . . 56 ARG CG . 6751 1 655 . 1 1 56 56 ARG CD C 13 43.935 0.25 . 1 . . . . 56 ARG CD . 6751 1 656 . 1 1 56 56 ARG N N 15 121.56 0.2 . 1 . . . . 56 ARG N . 6751 1 657 . 1 1 57 57 LEU H H 1 8.791 0.02 . 1 . . . . 57 LEU HN . 6751 1 658 . 1 1 57 57 LEU HA H 1 3.776 0.02 . 1 . . . . 57 LEU HA . 6751 1 659 . 1 1 57 57 LEU HB2 H 1 1.99 0.02 . 2 . . . . 57 LEU HB2 . 6751 1 660 . 1 1 57 57 LEU HB3 H 1 1.699 0.02 . 2 . . . . 57 LEU HB3 . 6751 1 661 . 1 1 57 57 LEU HG H 1 1.678 0.02 . 1 . . . . 57 LEU HG . 6751 1 662 . 1 1 57 57 LEU HD11 H 1 0.788 0.02 . 2 . . . . 57 LEU QD1 . 6751 1 663 . 1 1 57 57 LEU HD12 H 1 0.788 0.02 . 2 . . . . 57 LEU QD1 . 6751 1 664 . 1 1 57 57 LEU HD13 H 1 0.788 0.02 . 2 . . . . 57 LEU QD1 . 6751 1 665 . 1 1 57 57 LEU HD21 H 1 0.792 0.02 . 2 . . . . 57 LEU QD2 . 6751 1 666 . 1 1 57 57 LEU HD22 H 1 0.792 0.02 . 2 . . . . 57 LEU QD2 . 6751 1 667 . 1 1 57 57 LEU HD23 H 1 0.792 0.02 . 2 . . . . 57 LEU QD2 . 6751 1 668 . 1 1 57 57 LEU C C 13 178.333 0.25 . 1 . . . . 57 LEU C . 6751 1 669 . 1 1 57 57 LEU CA C 13 58.185 0.25 . 1 . . . . 57 LEU CA . 6751 1 670 . 1 1 57 57 LEU CB C 13 42.685 0.25 . 1 . . . . 57 LEU CB . 6751 1 671 . 1 1 57 57 LEU CG C 13 26.685 0.25 . 1 . . . . 57 LEU CG . 6751 1 672 . 1 1 57 57 LEU CD1 C 13 25.685 0.25 . 2 . . . . 57 LEU CD1 . 6751 1 673 . 1 1 57 57 LEU CD2 C 13 23.935 0.25 . 2 . . . . 57 LEU CD2 . 6751 1 674 . 1 1 57 57 LEU N N 15 124.636 0.2 . 1 . . . . 57 LEU N . 6751 1 675 . 1 1 58 58 GLU H H 1 8.707 0.02 . 1 . . . . 58 GLU HN . 6751 1 676 . 1 1 58 58 GLU HA H 1 4.027 0.02 . 1 . . . . 58 GLU HA . 6751 1 677 . 1 1 58 58 GLU HB2 H 1 2.373 0.02 . 2 . . . . 58 GLU HB2 . 6751 1 678 . 1 1 58 58 GLU HB3 H 1 1.992 0.02 . 2 . . . . 58 GLU HB3 . 6751 1 679 . 1 1 58 58 GLU HG2 H 1 2.763 0.02 . 2 . . . . 58 GLU HG2 . 6751 1 680 . 1 1 58 58 GLU HG3 H 1 2.408 0.02 . 2 . . . . 58 GLU HG3 . 6751 1 681 . 1 1 58 58 GLU C C 13 180.369 0.25 . 1 . . . . 58 GLU C . 6751 1 682 . 1 1 58 58 GLU CA C 13 59.685 0.25 . 1 . . . . 58 GLU CA . 6751 1 683 . 1 1 58 58 GLU CB C 13 30.185 0.25 . 1 . . . . 58 GLU CB . 6751 1 684 . 1 1 58 58 GLU CG C 13 36.983 0.25 . 1 . . . . 58 GLU CG . 6751 1 685 . 1 1 58 58 GLU N N 15 119.132 0.2 . 1 . . . . 58 GLU N . 6751 1 686 . 1 1 59 59 LYS H H 1 7.52 0.02 . 1 . . . . 59 LYS HN . 6751 1 687 . 1 1 59 59 LYS HA H 1 4.089 0.02 . 1 . . . . 59 LYS HA . 6751 1 688 . 1 1 59 59 LYS HB2 H 1 2.003 0.02 . 2 . . . . 59 LYS QB . 6751 1 689 . 1 1 59 59 LYS HB3 H 1 2.003 0.02 . 2 . . . . 59 LYS QB . 6751 1 690 . 1 1 59 59 LYS HG2 H 1 1.645 0.02 . 2 . . . . 59 LYS HG2 . 6751 1 691 . 1 1 59 59 LYS HG3 H 1 1.589 0.02 . 2 . . . . 59 LYS HG3 . 6751 1 692 . 1 1 59 59 LYS HD2 H 1 1.749 0.02 . 2 . . . . 59 LYS QD . 6751 1 693 . 1 1 59 59 LYS HD3 H 1 1.749 0.02 . 2 . . . . 59 LYS QD . 6751 1 694 . 1 1 59 59 LYS HE2 H 1 3.043 0.02 . 2 . . . . 59 LYS QE . 6751 1 695 . 1 1 59 59 LYS HE3 H 1 3.043 0.02 . 2 . . . . 59 LYS QE . 6751 1 696 . 1 1 59 59 LYS C C 13 178.262 0.25 . 1 . . . . 59 LYS C . 6751 1 697 . 1 1 59 59 LYS CA C 13 58.435 0.25 . 1 . . . . 59 LYS CA . 6751 1 698 . 1 1 59 59 LYS CB C 13 32.435 0.25 . 1 . . . . 59 LYS CB . 6751 1 699 . 1 1 59 59 LYS CG C 13 25.185 0.25 . 1 . . . . 59 LYS CG . 6751 1 700 . 1 1 59 59 LYS CD C 13 28.685 0.25 . 1 . . . . 59 LYS CD . 6751 1 701 . 1 1 59 59 LYS CE C 13 42.185 0.25 . 1 . . . . 59 LYS CE . 6751 1 702 . 1 1 59 59 LYS N N 15 118.157 0.2 . 1 . . . . 59 LYS N . 6751 1 703 . 1 1 60 60 TRP H H 1 7.987 0.02 . 1 . . . . 60 TRP HN . 6751 1 704 . 1 1 60 60 TRP HA H 1 4.465 0.02 . 1 . . . . 60 TRP HA . 6751 1 705 . 1 1 60 60 TRP HB2 H 1 3.115 0.02 . 2 . . . . 60 TRP HB2 . 6751 1 706 . 1 1 60 60 TRP HB3 H 1 2.841 0.02 . 2 . . . . 60 TRP HB3 . 6751 1 707 . 1 1 60 60 TRP HD1 H 1 7.245 0.02 . 1 . . . . 60 TRP HD1 . 6751 1 708 . 1 1 60 60 TRP HE1 H 1 9.764 0.02 . 1 . . . . 60 TRP HE1 . 6751 1 709 . 1 1 60 60 TRP HE3 H 1 6.225 0.02 . 1 . . . . 60 TRP HE3 . 6751 1 710 . 1 1 60 60 TRP HZ2 H 1 7.011 0.02 . 1 . . . . 60 TRP HZ2 . 6751 1 711 . 1 1 60 60 TRP HZ3 H 1 6.266 0.02 . 1 . . . . 60 TRP HZ3 . 6751 1 712 . 1 1 60 60 TRP HH2 H 1 6.665 0.02 . 1 . . . . 60 TRP HH2 . 6751 1 713 . 1 1 60 60 TRP C C 13 177.377 0.25 . 1 . . . . 60 TRP C . 6751 1 714 . 1 1 60 60 TRP CA C 13 59.935 0.25 . 1 . . . . 60 TRP CA . 6751 1 715 . 1 1 60 60 TRP CB C 13 28.539 0.25 . 1 . . . . 60 TRP CB . 6751 1 716 . 1 1 60 60 TRP N N 15 121.009 0.2 . 1 . . . . 60 TRP N . 6751 1 717 . 1 1 60 60 TRP NE1 N 15 128.584 0.2 . 1 . . . . 60 TRP NE1 . 6751 1 718 . 1 1 61 61 LEU H H 1 8.383 0.02 . 1 . . . . 61 LEU HN . 6751 1 719 . 1 1 61 61 LEU HA H 1 3.511 0.02 . 1 . . . . 61 LEU HA . 6751 1 720 . 1 1 61 61 LEU HB2 H 1 1.408 0.02 . 2 . . . . 61 LEU HB2 . 6751 1 721 . 1 1 61 61 LEU HB3 H 1 1.003 0.02 . 2 . . . . 61 LEU HB3 . 6751 1 722 . 1 1 61 61 LEU HG H 1 1.423 0.02 . 1 . . . . 61 LEU HG . 6751 1 723 . 1 1 61 61 LEU HD11 H 1 0.515 0.02 . 2 . . . . 61 LEU QD1 . 6751 1 724 . 1 1 61 61 LEU HD12 H 1 0.515 0.02 . 2 . . . . 61 LEU QD1 . 6751 1 725 . 1 1 61 61 LEU HD13 H 1 0.515 0.02 . 2 . . . . 61 LEU QD1 . 6751 1 726 . 1 1 61 61 LEU HD21 H 1 0.076 0.02 . 2 . . . . 61 LEU QD2 . 6751 1 727 . 1 1 61 61 LEU HD22 H 1 0.076 0.02 . 2 . . . . 61 LEU QD2 . 6751 1 728 . 1 1 61 61 LEU HD23 H 1 0.076 0.02 . 2 . . . . 61 LEU QD2 . 6751 1 729 . 1 1 61 61 LEU C C 13 177.911 0.25 . 1 . . . . 61 LEU C . 6751 1 730 . 1 1 61 61 LEU CA C 13 55.435 0.25 . 1 . . . . 61 LEU CA . 6751 1 731 . 1 1 61 61 LEU CB C 13 42.435 0.25 . 1 . . . . 61 LEU CB . 6751 1 732 . 1 1 61 61 LEU CG C 13 26.685 0.25 . 1 . . . . 61 LEU CG . 6751 1 733 . 1 1 61 61 LEU CD1 C 13 25.935 0.25 . 2 . . . . 61 LEU CD1 . 6751 1 734 . 1 1 61 61 LEU CD2 C 13 22.685 0.25 . 2 . . . . 61 LEU CD2 . 6751 1 735 . 1 1 61 61 LEU N N 15 113.692 0.2 . 1 . . . . 61 LEU N . 6751 1 736 . 1 1 62 62 GLY H H 1 7.832 0.02 . 1 . . . . 62 GLY HN . 6751 1 737 . 1 1 62 62 GLY HA2 H 1 3.849 0.02 . 2 . . . . 62 GLY HA1 . 6751 1 738 . 1 1 62 62 GLY HA3 H 1 3.739 0.02 . 2 . . . . 62 GLY HA2 . 6751 1 739 . 1 1 62 62 GLY C C 13 174.217 0.25 . 1 . . . . 62 GLY C . 6751 1 740 . 1 1 62 62 GLY CA C 13 46.185 0.25 . 1 . . . . 62 GLY CA . 6751 1 741 . 1 1 62 62 GLY N N 15 107.883 0.2 . 1 . . . . 62 GLY N . 6751 1 742 . 1 1 63 63 LYS H H 1 7.08 0.02 . 1 . . . . 63 LYS HN . 6751 1 743 . 1 1 63 63 LYS HA H 1 4.515 0.02 . 1 . . . . 63 LYS HA . 6751 1 744 . 1 1 63 63 LYS HB2 H 1 1.471 0.02 . 2 . . . . 63 LYS HB2 . 6751 1 745 . 1 1 63 63 LYS HB3 H 1 0.915 0.02 . 2 . . . . 63 LYS HB3 . 6751 1 746 . 1 1 63 63 LYS HG2 H 1 0.944 0.02 . 2 . . . . 63 LYS HG2 . 6751 1 747 . 1 1 63 63 LYS HG3 H 1 0.729 0.02 . 2 . . . . 63 LYS HG3 . 6751 1 748 . 1 1 63 63 LYS HD2 H 1 1.631 0.02 . 2 . . . . 63 LYS HD2 . 6751 1 749 . 1 1 63 63 LYS HD3 H 1 1.428 0.02 . 2 . . . . 63 LYS HD3 . 6751 1 750 . 1 1 63 63 LYS HE2 H 1 2.921 0.02 . 2 . . . . 63 LYS HE2 . 6751 1 751 . 1 1 63 63 LYS HE3 H 1 2.832 0.02 . 2 . . . . 63 LYS HE3 . 6751 1 752 . 1 1 63 63 LYS C C 13 174.021 0.25 . 1 . . . . 63 LYS C . 6751 1 753 . 1 1 63 63 LYS CA C 13 52.935 0.25 . 1 . . . . 63 LYS CA . 6751 1 754 . 1 1 63 63 LYS CB C 13 36.435 0.25 . 1 . . . . 63 LYS CB . 6751 1 755 . 1 1 63 63 LYS CG C 13 23.685 0.25 . 1 . . . . 63 LYS CG . 6751 1 756 . 1 1 63 63 LYS CD C 13 28.185 0.25 . 1 . . . . 63 LYS CD . 6751 1 757 . 1 1 63 63 LYS CE C 13 42.435 0.25 . 1 . . . . 63 LYS CE . 6751 1 758 . 1 1 63 63 LYS N N 15 116.626 0.2 . 1 . . . . 63 LYS N . 6751 1 759 . 1 1 64 64 GLU H H 1 7.947 0.02 . 1 . . . . 64 GLU HN . 6751 1 760 . 1 1 64 64 GLU HA H 1 4.222 0.02 . 1 . . . . 64 GLU HA . 6751 1 761 . 1 1 64 64 GLU HB2 H 1 1.902 0.02 . 2 . . . . 64 GLU QB . 6751 1 762 . 1 1 64 64 GLU HB3 H 1 1.902 0.02 . 2 . . . . 64 GLU QB . 6751 1 763 . 1 1 64 64 GLU HG2 H 1 2.28 0.02 . 2 . . . . 64 GLU HG2 . 6751 1 764 . 1 1 64 64 GLU HG3 H 1 2.146 0.02 . 2 . . . . 64 GLU HG3 . 6751 1 765 . 1 1 64 64 GLU C C 13 176.24 0.25 . 1 . . . . 64 GLU C . 6751 1 766 . 1 1 64 64 GLU CA C 13 56.185 0.25 . 1 . . . . 64 GLU CA . 6751 1 767 . 1 1 64 64 GLU CB C 13 30.185 0.25 . 1 . . . . 64 GLU CB . 6751 1 768 . 1 1 64 64 GLU CG C 13 36.435 0.25 . 1 . . . . 64 GLU CG . 6751 1 769 . 1 1 64 64 GLU N N 15 119.242 0.2 . 1 . . . . 64 GLU N . 6751 1 770 . 1 1 65 65 LEU H H 1 9.348 0.02 . 1 . . . . 65 LEU HN . 6751 1 771 . 1 1 65 65 LEU HA H 1 4.688 0.02 . 1 . . . . 65 LEU HA . 6751 1 772 . 1 1 65 65 LEU HB2 H 1 1.582 0.02 . 2 . . . . 65 LEU HB2 . 6751 1 773 . 1 1 65 65 LEU HB3 H 1 1.263 0.02 . 2 . . . . 65 LEU HB3 . 6751 1 774 . 1 1 65 65 LEU HG H 1 1.657 0.02 . 1 . . . . 65 LEU HG . 6751 1 775 . 1 1 65 65 LEU HD11 H 1 0.704 0.02 . 2 . . . . 65 LEU QD1 . 6751 1 776 . 1 1 65 65 LEU HD12 H 1 0.704 0.02 . 2 . . . . 65 LEU QD1 . 6751 1 777 . 1 1 65 65 LEU HD13 H 1 0.704 0.02 . 2 . . . . 65 LEU QD1 . 6751 1 778 . 1 1 65 65 LEU HD21 H 1 0.656 0.02 . 2 . . . . 65 LEU QD2 . 6751 1 779 . 1 1 65 65 LEU HD22 H 1 0.656 0.02 . 2 . . . . 65 LEU QD2 . 6751 1 780 . 1 1 65 65 LEU HD23 H 1 0.656 0.02 . 2 . . . . 65 LEU QD2 . 6751 1 781 . 1 1 65 65 LEU C C 13 175.355 0.25 . 1 . . . . 65 LEU C . 6751 1 782 . 1 1 65 65 LEU CA C 13 53.185 0.25 . 1 . . . . 65 LEU CA . 6751 1 783 . 1 1 65 65 LEU CB C 13 44.435 0.25 . 1 . . . . 65 LEU CB . 6751 1 784 . 1 1 65 65 LEU CG C 13 26.935 0.25 . 1 . . . . 65 LEU CG . 6751 1 785 . 1 1 65 65 LEU CD1 C 13 25.935 0.25 . 2 . . . . 65 LEU CD1 . 6751 1 786 . 1 1 65 65 LEU CD2 C 13 24.185 0.25 . 2 . . . . 65 LEU CD2 . 6751 1 787 . 1 1 65 65 LEU N N 15 125.951 0.2 . 1 . . . . 65 LEU N . 6751 1 788 . 1 1 66 66 ASN H H 1 8.085 0.02 . 1 . . . . 66 ASN HN . 6751 1 789 . 1 1 66 66 ASN HA H 1 4.966 0.02 . 1 . . . . 66 ASN HA . 6751 1 790 . 1 1 66 66 ASN HB2 H 1 2.948 0.02 . 2 . . . . 66 ASN HB2 . 6751 1 791 . 1 1 66 66 ASN HB3 H 1 2.859 0.02 . 2 . . . . 66 ASN HB3 . 6751 1 792 . 1 1 66 66 ASN HD21 H 1 6.994 0.02 . 2 . . . . 66 ASN HD21 . 6751 1 793 . 1 1 66 66 ASN HD22 H 1 7.758 0.02 . 2 . . . . 66 ASN HD22 . 6751 1 794 . 1 1 66 66 ASN CA C 13 50.685 0.25 . 1 . . . . 66 ASN CA . 6751 1 795 . 1 1 66 66 ASN CB C 13 39.797 0.25 . 1 . . . . 66 ASN CB . 6751 1 796 . 1 1 66 66 ASN N N 15 121.787 0.2 . 1 . . . . 66 ASN N . 6751 1 797 . 1 1 66 66 ASN ND2 N 15 112.958 0.2 . 1 . . . . 66 ASN ND2 . 6751 1 798 . 1 1 67 67 PRO HA H 1 4.21 0.02 . 1 . . . . 67 PRO HA . 6751 1 799 . 1 1 67 67 PRO HB2 H 1 2.281 0.02 . 2 . . . . 67 PRO HB2 . 6751 1 800 . 1 1 67 67 PRO HB3 H 1 1.982 0.02 . 2 . . . . 67 PRO HB3 . 6751 1 801 . 1 1 67 67 PRO HG2 H 1 2.053 0.02 . 2 . . . . 67 PRO HG2 . 6751 1 802 . 1 1 67 67 PRO HG3 H 1 1.985 0.02 . 2 . . . . 67 PRO HG3 . 6751 1 803 . 1 1 67 67 PRO HD2 H 1 4.012 0.02 . 2 . . . . 67 PRO HD2 . 6751 1 804 . 1 1 67 67 PRO HD3 H 1 3.906 0.02 . 2 . . . . 67 PRO HD3 . 6751 1 805 . 1 1 67 67 PRO C C 13 177.293 0.25 . 1 . . . . 67 PRO C . 6751 1 806 . 1 1 67 67 PRO CA C 13 64.935 0.25 . 1 . . . . 67 PRO CA . 6751 1 807 . 1 1 67 67 PRO CB C 13 32.435 0.25 . 1 . . . . 67 PRO CB . 6751 1 808 . 1 1 67 67 PRO CG C 13 27.435 0.25 . 1 . . . . 67 PRO CG . 6751 1 809 . 1 1 67 67 PRO CD C 13 51.055 0.25 . 1 . . . . 67 PRO CD . 6751 1 810 . 1 1 68 68 VAL H H 1 7.938 0.02 . 1 . . . . 68 VAL HN . 6751 1 811 . 1 1 68 68 VAL HA H 1 4.094 0.02 . 1 . . . . 68 VAL HA . 6751 1 812 . 1 1 68 68 VAL HB H 1 2.23 0.02 . 1 . . . . 68 VAL HB . 6751 1 813 . 1 1 68 68 VAL HG11 H 1 1.041 0.02 . 2 . . . . 68 VAL QG1 . 6751 1 814 . 1 1 68 68 VAL HG12 H 1 1.041 0.02 . 2 . . . . 68 VAL QG1 . 6751 1 815 . 1 1 68 68 VAL HG13 H 1 1.041 0.02 . 2 . . . . 68 VAL QG1 . 6751 1 816 . 1 1 68 68 VAL HG21 H 1 1.003 0.02 . 2 . . . . 68 VAL QG2 . 6751 1 817 . 1 1 68 68 VAL HG22 H 1 1.003 0.02 . 2 . . . . 68 VAL QG2 . 6751 1 818 . 1 1 68 68 VAL HG23 H 1 1.003 0.02 . 2 . . . . 68 VAL QG2 . 6751 1 819 . 1 1 68 68 VAL C C 13 177.223 0.25 . 1 . . . . 68 VAL C . 6751 1 820 . 1 1 68 68 VAL CA C 13 63.935 0.25 . 1 . . . . 68 VAL CA . 6751 1 821 . 1 1 68 68 VAL CB C 13 31.435 0.25 . 1 . . . . 68 VAL CB . 6751 1 822 . 1 1 68 68 VAL CG1 C 13 21.185 0.25 . 2 . . . . 68 VAL CG1 . 6751 1 823 . 1 1 68 68 VAL CG2 C 13 20.685 0.25 . 2 . . . . 68 VAL CG2 . 6751 1 824 . 1 1 68 68 VAL N N 15 114 0.2 . 1 . . . . 68 VAL N . 6751 1 825 . 1 1 69 69 LEU H H 1 8.097 0.02 . 1 . . . . 69 LEU HN . 6751 1 826 . 1 1 69 69 LEU HA H 1 4.224 0.02 . 1 . . . . 69 LEU HA . 6751 1 827 . 1 1 69 69 LEU HB2 H 1 1.873 0.02 . 2 . . . . 69 LEU HB2 . 6751 1 828 . 1 1 69 69 LEU HB3 H 1 1.533 0.02 . 2 . . . . 69 LEU HB3 . 6751 1 829 . 1 1 69 69 LEU HG H 1 2 0.02 . 1 . . . . 69 LEU HG . 6751 1 830 . 1 1 69 69 LEU HD11 H 1 1.064 0.02 . 2 . . . . 69 LEU QD1 . 6751 1 831 . 1 1 69 69 LEU HD12 H 1 1.064 0.02 . 2 . . . . 69 LEU QD1 . 6751 1 832 . 1 1 69 69 LEU HD13 H 1 1.064 0.02 . 2 . . . . 69 LEU QD1 . 6751 1 833 . 1 1 69 69 LEU HD21 H 1 0.983 0.02 . 2 . . . . 69 LEU QD2 . 6751 1 834 . 1 1 69 69 LEU HD22 H 1 0.983 0.02 . 2 . . . . 69 LEU QD2 . 6751 1 835 . 1 1 69 69 LEU HD23 H 1 0.983 0.02 . 2 . . . . 69 LEU QD2 . 6751 1 836 . 1 1 69 69 LEU C C 13 178.094 0.25 . 1 . . . . 69 LEU C . 6751 1 837 . 1 1 69 69 LEU CA C 13 58.685 0.25 . 1 . . . . 69 LEU CA . 6751 1 838 . 1 1 69 69 LEU CB C 13 43.685 0.25 . 1 . . . . 69 LEU CB . 6751 1 839 . 1 1 69 69 LEU CG C 13 27.435 0.25 . 1 . . . . 69 LEU CG . 6751 1 840 . 1 1 69 69 LEU CD1 C 13 26.185 0.25 . 2 . . . . 69 LEU CD1 . 6751 1 841 . 1 1 69 69 LEU CD2 C 13 24.685 0.25 . 2 . . . . 69 LEU CD2 . 6751 1 842 . 1 1 69 69 LEU N N 15 121.781 0.2 . 1 . . . . 69 LEU N . 6751 1 843 . 1 1 70 70 ILE H H 1 6.992 0.02 . 1 . . . . 70 ILE HN . 6751 1 844 . 1 1 70 70 ILE HA H 1 3.97 0.02 . 1 . . . . 70 ILE HA . 6751 1 845 . 1 1 70 70 ILE HB H 1 1.776 0.02 . 1 . . . . 70 ILE HB . 6751 1 846 . 1 1 70 70 ILE HG12 H 1 1.307 0.02 . 2 . . . . 70 ILE QG1 . 6751 1 847 . 1 1 70 70 ILE HG13 H 1 1.307 0.02 . 2 . . . . 70 ILE QG1 . 6751 1 848 . 1 1 70 70 ILE HG21 H 1 0.681 0.02 . 1 . . . . 70 ILE QG2 . 6751 1 849 . 1 1 70 70 ILE HG22 H 1 0.681 0.02 . 1 . . . . 70 ILE QG2 . 6751 1 850 . 1 1 70 70 ILE HG23 H 1 0.681 0.02 . 1 . . . . 70 ILE QG2 . 6751 1 851 . 1 1 70 70 ILE HD11 H 1 0.704 0.02 . 1 . . . . 70 ILE QD1 . 6751 1 852 . 1 1 70 70 ILE HD12 H 1 0.704 0.02 . 1 . . . . 70 ILE QD1 . 6751 1 853 . 1 1 70 70 ILE HD13 H 1 0.704 0.02 . 1 . . . . 70 ILE QD1 . 6751 1 854 . 1 1 70 70 ILE C C 13 175.2 0.25 . 1 . . . . 70 ILE C . 6751 1 855 . 1 1 70 70 ILE CA C 13 62.685 0.25 . 1 . . . . 70 ILE CA . 6751 1 856 . 1 1 70 70 ILE CB C 13 37.685 0.25 . 1 . . . . 70 ILE CB . 6751 1 857 . 1 1 70 70 ILE CG1 C 13 28.435 0.25 . 1 . . . . 70 ILE CG1 . 6751 1 858 . 1 1 70 70 ILE CG2 C 13 17.685 0.25 . 1 . . . . 70 ILE CG2 . 6751 1 859 . 1 1 70 70 ILE CD1 C 13 12.685 0.25 . 1 . . . . 70 ILE CD1 . 6751 1 860 . 1 1 70 70 ILE N N 15 110.837 0.2 . 1 . . . . 70 ILE N . 6751 1 861 . 1 1 71 71 PHE H H 1 6.993 0.02 . 1 . . . . 71 PHE HN . 6751 1 862 . 1 1 71 71 PHE HA H 1 4.613 0.02 . 1 . . . . 71 PHE HA . 6751 1 863 . 1 1 71 71 PHE HB2 H 1 3.249 0.02 . 2 . . . . 71 PHE HB2 . 6751 1 864 . 1 1 71 71 PHE HB3 H 1 2.891 0.02 . 2 . . . . 71 PHE HB3 . 6751 1 865 . 1 1 71 71 PHE HD1 H 1 7.288 0.02 . 3 . . . . 71 PHE QD . 6751 1 866 . 1 1 71 71 PHE HD2 H 1 7.288 0.02 . 3 . . . . 71 PHE QD . 6751 1 867 . 1 1 71 71 PHE HE1 H 1 7.174 0.02 . 3 . . . . 71 PHE QE . 6751 1 868 . 1 1 71 71 PHE HE2 H 1 7.174 0.02 . 3 . . . . 71 PHE QE . 6751 1 869 . 1 1 71 71 PHE C C 13 177.363 0.25 . 1 . . . . 71 PHE C . 6751 1 870 . 1 1 71 71 PHE CA C 13 58.685 0.25 . 1 . . . . 71 PHE CA . 6751 1 871 . 1 1 71 71 PHE CB C 13 39.185 0.25 . 1 . . . . 71 PHE CB . 6751 1 872 . 1 1 71 71 PHE N N 15 115.427 0.2 . 1 . . . . 71 PHE N . 6751 1 873 . 1 1 72 72 ASN H H 1 8.118 0.02 . 1 . . . . 72 ASN HN . 6751 1 874 . 1 1 72 72 ASN HA H 1 4.446 0.02 . 1 . . . . 72 ASN HA . 6751 1 875 . 1 1 72 72 ASN HB2 H 1 2.605 0.02 . 2 . . . . 72 ASN HB2 . 6751 1 876 . 1 1 72 72 ASN HB3 H 1 2.34 0.02 . 2 . . . . 72 ASN HB3 . 6751 1 877 . 1 1 72 72 ASN HD21 H 1 7.382 0.02 . 2 . . . . 72 ASN HD21 . 6751 1 878 . 1 1 72 72 ASN HD22 H 1 6.906 0.02 . 2 . . . . 72 ASN HD22 . 6751 1 879 . 1 1 72 72 ASN C C 13 174.877 0.25 . 1 . . . . 72 ASN C . 6751 1 880 . 1 1 72 72 ASN CA C 13 53.935 0.25 . 1 . . . . 72 ASN CA . 6751 1 881 . 1 1 72 72 ASN CB C 13 38.935 0.25 . 1 . . . . 72 ASN CB . 6751 1 882 . 1 1 72 72 ASN N N 15 116.591 0.2 . 1 . . . . 72 ASN N . 6751 1 883 . 1 1 72 72 ASN ND2 N 15 110.773 0.2 . 1 . . . . 72 ASN ND2 . 6751 1 884 . 1 1 73 73 TYR H H 1 7.432 0.02 . 1 . . . . 73 TYR HN . 6751 1 885 . 1 1 73 73 TYR HA H 1 4.609 0.02 . 1 . . . . 73 TYR HA . 6751 1 886 . 1 1 73 73 TYR HB2 H 1 3.177 0.02 . 2 . . . . 73 TYR HB2 . 6751 1 887 . 1 1 73 73 TYR HB3 H 1 2.515 0.02 . 2 . . . . 73 TYR HB3 . 6751 1 888 . 1 1 73 73 TYR HD1 H 1 7.334 0.02 . 3 . . . . 73 TYR QD . 6751 1 889 . 1 1 73 73 TYR HD2 H 1 7.334 0.02 . 3 . . . . 73 TYR QD . 6751 1 890 . 1 1 73 73 TYR HE1 H 1 6.901 0.02 . 3 . . . . 73 TYR QE . 6751 1 891 . 1 1 73 73 TYR HE2 H 1 6.901 0.02 . 3 . . . . 73 TYR QE . 6751 1 892 . 1 1 73 73 TYR CA C 13 55.685 0.25 . 1 . . . . 73 TYR CA . 6751 1 893 . 1 1 73 73 TYR CB C 13 37.185 0.25 . 1 . . . . 73 TYR CB . 6751 1 894 . 1 1 73 73 TYR N N 15 119.113 0.2 . 1 . . . . 73 TYR N . 6751 1 895 . 1 1 74 74 PRO HA H 1 4.605 0.02 . 1 . . . . 74 PRO HA . 6751 1 896 . 1 1 74 74 PRO HB2 H 1 2.432 0.02 . 2 . . . . 74 PRO HB2 . 6751 1 897 . 1 1 74 74 PRO HB3 H 1 1.81 0.02 . 2 . . . . 74 PRO HB3 . 6751 1 898 . 1 1 74 74 PRO HG2 H 1 1.868 0.02 . 2 . . . . 74 PRO HG2 . 6751 1 899 . 1 1 74 74 PRO HG3 H 1 1.552 0.02 . 2 . . . . 74 PRO HG3 . 6751 1 900 . 1 1 74 74 PRO HD2 H 1 3.283 0.02 . 2 . . . . 74 PRO HD2 . 6751 1 901 . 1 1 74 74 PRO HD3 H 1 3.102 0.02 . 2 . . . . 74 PRO HD3 . 6751 1 902 . 1 1 74 74 PRO C C 13 175.257 0.25 . 1 . . . . 74 PRO C . 6751 1 903 . 1 1 74 74 PRO CA C 13 65.185 0.25 . 1 . . . . 74 PRO CA . 6751 1 904 . 1 1 74 74 PRO CB C 13 30.185 0.25 . 1 . . . . 74 PRO CB . 6751 1 905 . 1 1 74 74 PRO CG C 13 26.685 0.25 . 1 . . . . 74 PRO CG . 6751 1 906 . 1 1 74 74 PRO CD C 13 48.752 0.25 . 1 . . . . 74 PRO CD . 6751 1 907 . 1 1 75 75 THR H H 1 7.321 0.02 . 1 . . . . 75 THR HN . 6751 1 908 . 1 1 75 75 THR HA H 1 3.971 0.02 . 1 . . . . 75 THR HA . 6751 1 909 . 1 1 75 75 THR HB H 1 4.344 0.02 . 1 . . . . 75 THR HB . 6751 1 910 . 1 1 75 75 THR HG21 H 1 0.717 0.02 . 1 . . . . 75 THR QG2 . 6751 1 911 . 1 1 75 75 THR HG22 H 1 0.717 0.02 . 1 . . . . 75 THR QG2 . 6751 1 912 . 1 1 75 75 THR HG23 H 1 0.717 0.02 . 1 . . . . 75 THR QG2 . 6751 1 913 . 1 1 75 75 THR C C 13 174.512 0.25 . 1 . . . . 75 THR C . 6751 1 914 . 1 1 75 75 THR CA C 13 59.185 0.25 . 1 . . . . 75 THR CA . 6751 1 915 . 1 1 75 75 THR CB C 13 72.685 0.25 . 1 . . . . 75 THR CB . 6751 1 916 . 1 1 75 75 THR CG2 C 13 21.435 0.25 . 1 . . . . 75 THR CG2 . 6751 1 917 . 1 1 75 75 THR N N 15 108.619 0.2 . 1 . . . . 75 THR N . 6751 1 918 . 1 1 76 76 ILE H H 1 9.244 0.02 . 1 . . . . 76 ILE HN . 6751 1 919 . 1 1 76 76 ILE HA H 1 3.733 0.02 . 1 . . . . 76 ILE HA . 6751 1 920 . 1 1 76 76 ILE HB H 1 1.861 0.02 . 1 . . . . 76 ILE HB . 6751 1 921 . 1 1 76 76 ILE HG12 H 1 2.141 0.02 . 2 . . . . 76 ILE HG12 . 6751 1 922 . 1 1 76 76 ILE HG13 H 1 0.956 0.02 . 2 . . . . 76 ILE HG13 . 6751 1 923 . 1 1 76 76 ILE HG21 H 1 1.067 0.02 . 1 . . . . 76 ILE QG2 . 6751 1 924 . 1 1 76 76 ILE HG22 H 1 1.067 0.02 . 1 . . . . 76 ILE QG2 . 6751 1 925 . 1 1 76 76 ILE HG23 H 1 1.067 0.02 . 1 . . . . 76 ILE QG2 . 6751 1 926 . 1 1 76 76 ILE HD11 H 1 0.621 0.02 . 1 . . . . 76 ILE QD1 . 6751 1 927 . 1 1 76 76 ILE HD12 H 1 0.621 0.02 . 1 . . . . 76 ILE QD1 . 6751 1 928 . 1 1 76 76 ILE HD13 H 1 0.621 0.02 . 1 . . . . 76 ILE QD1 . 6751 1 929 . 1 1 76 76 ILE C C 13 177.195 0.25 . 1 . . . . 76 ILE C . 6751 1 930 . 1 1 76 76 ILE CA C 13 67.435 0.25 . 1 . . . . 76 ILE CA . 6751 1 931 . 1 1 76 76 ILE CB C 13 38.185 0.25 . 1 . . . . 76 ILE CB . 6751 1 932 . 1 1 76 76 ILE CG1 C 13 30.685 0.25 . 1 . . . . 76 ILE CG1 . 6751 1 933 . 1 1 76 76 ILE CG2 C 13 17.435 0.25 . 1 . . . . 76 ILE CG2 . 6751 1 934 . 1 1 76 76 ILE CD1 C 13 14.185 0.25 . 1 . . . . 76 ILE CD1 . 6751 1 935 . 1 1 76 76 ILE N N 15 123.667 0.2 . 1 . . . . 76 ILE N . 6751 1 936 . 1 1 77 77 ALA H H 1 8.977 0.02 . 1 . . . . 77 ALA HN . 6751 1 937 . 1 1 77 77 ALA HA H 1 4.069 0.02 . 1 . . . . 77 ALA HA . 6751 1 938 . 1 1 77 77 ALA HB1 H 1 1.348 0.02 . 1 . . . . 77 ALA QB . 6751 1 939 . 1 1 77 77 ALA HB2 H 1 1.348 0.02 . 1 . . . . 77 ALA QB . 6751 1 940 . 1 1 77 77 ALA HB3 H 1 1.348 0.02 . 1 . . . . 77 ALA QB . 6751 1 941 . 1 1 77 77 ALA C C 13 181.437 0.25 . 1 . . . . 77 ALA C . 6751 1 942 . 1 1 77 77 ALA CA C 13 55.435 0.25 . 1 . . . . 77 ALA CA . 6751 1 943 . 1 1 77 77 ALA CB C 13 18.435 0.25 . 1 . . . . 77 ALA CB . 6751 1 944 . 1 1 77 77 ALA N N 15 119.552 0.2 . 1 . . . . 77 ALA N . 6751 1 945 . 1 1 78 78 GLN H H 1 8.081 0.02 . 1 . . . . 78 GLN HN . 6751 1 946 . 1 1 78 78 GLN HA H 1 4.068 0.02 . 1 . . . . 78 GLN HA . 6751 1 947 . 1 1 78 78 GLN HB2 H 1 2.287 0.02 . 2 . . . . 78 GLN HB2 . 6751 1 948 . 1 1 78 78 GLN HB3 H 1 1.892 0.02 . 2 . . . . 78 GLN HB3 . 6751 1 949 . 1 1 78 78 GLN HG2 H 1 2.437 0.02 . 2 . . . . 78 GLN QG . 6751 1 950 . 1 1 78 78 GLN HG3 H 1 2.437 0.02 . 2 . . . . 78 GLN QG . 6751 1 951 . 1 1 78 78 GLN HE21 H 1 7.317 0.02 . 2 . . . . 78 GLN HE21 . 6751 1 952 . 1 1 78 78 GLN HE22 H 1 6.864 0.02 . 2 . . . . 78 GLN HE22 . 6751 1 953 . 1 1 78 78 GLN C C 13 178.866 0.25 . 1 . . . . 78 GLN C . 6751 1 954 . 1 1 78 78 GLN CA C 13 58.685 0.25 . 1 . . . . 78 GLN CA . 6751 1 955 . 1 1 78 78 GLN CB C 13 30.185 0.25 . 1 . . . . 78 GLN CB . 6751 1 956 . 1 1 78 78 GLN CG C 13 35.192 0.25 . 1 . . . . 78 GLN CG . 6751 1 957 . 1 1 78 78 GLN N N 15 116.049 0.2 . 1 . . . . 78 GLN N . 6751 1 958 . 1 1 78 78 GLN NE2 N 15 111.656 0.2 . 1 . . . . 78 GLN NE2 . 6751 1 959 . 1 1 79 79 LEU H H 1 9.106 0.02 . 1 . . . . 79 LEU HN . 6751 1 960 . 1 1 79 79 LEU HA H 1 4.151 0.02 . 1 . . . . 79 LEU HA . 6751 1 961 . 1 1 79 79 LEU HB2 H 1 2.634 0.02 . 2 . . . . 79 LEU HB2 . 6751 1 962 . 1 1 79 79 LEU HB3 H 1 2.063 0.02 . 2 . . . . 79 LEU HB3 . 6751 1 963 . 1 1 79 79 LEU HG H 1 1.674 0.02 . 1 . . . . 79 LEU HG . 6751 1 964 . 1 1 79 79 LEU HD11 H 1 1.159 0.02 . 2 . . . . 79 LEU QD1 . 6751 1 965 . 1 1 79 79 LEU HD12 H 1 1.159 0.02 . 2 . . . . 79 LEU QD1 . 6751 1 966 . 1 1 79 79 LEU HD13 H 1 1.159 0.02 . 2 . . . . 79 LEU QD1 . 6751 1 967 . 1 1 79 79 LEU HD21 H 1 1.082 0.02 . 2 . . . . 79 LEU QD2 . 6751 1 968 . 1 1 79 79 LEU HD22 H 1 1.082 0.02 . 2 . . . . 79 LEU QD2 . 6751 1 969 . 1 1 79 79 LEU HD23 H 1 1.082 0.02 . 2 . . . . 79 LEU QD2 . 6751 1 970 . 1 1 79 79 LEU C C 13 178.515 0.25 . 1 . . . . 79 LEU C . 6751 1 971 . 1 1 79 79 LEU CA C 13 58.435 0.25 . 1 . . . . 79 LEU CA . 6751 1 972 . 1 1 79 79 LEU CB C 13 41.076 0.25 . 1 . . . . 79 LEU CB . 6751 1 973 . 1 1 79 79 LEU CG C 13 27.185 0.25 . 1 . . . . 79 LEU CG . 6751 1 974 . 1 1 79 79 LEU CD1 C 13 26.435 0.25 . 2 . . . . 79 LEU CD1 . 6751 1 975 . 1 1 79 79 LEU CD2 C 13 22.935 0.25 . 2 . . . . 79 LEU CD2 . 6751 1 976 . 1 1 79 79 LEU N N 15 123.414 0.2 . 1 . . . . 79 LEU N . 6751 1 977 . 1 1 80 80 ALA H H 1 9.065 0.02 . 1 . . . . 80 ALA HN . 6751 1 978 . 1 1 80 80 ALA HA H 1 4.023 0.02 . 1 . . . . 80 ALA HA . 6751 1 979 . 1 1 80 80 ALA HB1 H 1 1.567 0.02 . 1 . . . . 80 ALA QB . 6751 1 980 . 1 1 80 80 ALA HB2 H 1 1.567 0.02 . 1 . . . . 80 ALA QB . 6751 1 981 . 1 1 80 80 ALA HB3 H 1 1.567 0.02 . 1 . . . . 80 ALA QB . 6751 1 982 . 1 1 80 80 ALA C C 13 178.852 0.25 . 1 . . . . 80 ALA C . 6751 1 983 . 1 1 80 80 ALA CA C 13 55.935 0.25 . 1 . . . . 80 ALA CA . 6751 1 984 . 1 1 80 80 ALA CB C 13 19.185 0.25 . 1 . . . . 80 ALA CB . 6751 1 985 . 1 1 80 80 ALA N N 15 119.433 0.2 . 1 . . . . 80 ALA N . 6751 1 986 . 1 1 81 81 LYS H H 1 7.343 0.02 . 1 . . . . 81 LYS HN . 6751 1 987 . 1 1 81 81 LYS HA H 1 3.948 0.02 . 1 . . . . 81 LYS HA . 6751 1 988 . 1 1 81 81 LYS HB2 H 1 1.944 0.02 . 2 . . . . 81 LYS QB . 6751 1 989 . 1 1 81 81 LYS HB3 H 1 1.944 0.02 . 2 . . . . 81 LYS QB . 6751 1 990 . 1 1 81 81 LYS HG2 H 1 1.499 0.02 . 2 . . . . 81 LYS HG2 . 6751 1 991 . 1 1 81 81 LYS HG3 H 1 1.346 0.02 . 2 . . . . 81 LYS HG3 . 6751 1 992 . 1 1 81 81 LYS HD2 H 1 1.723 0.02 . 2 . . . . 81 LYS QD . 6751 1 993 . 1 1 81 81 LYS HD3 H 1 1.723 0.02 . 2 . . . . 81 LYS QD . 6751 1 994 . 1 1 81 81 LYS HE2 H 1 3.021 0.02 . 2 . . . . 81 LYS QE . 6751 1 995 . 1 1 81 81 LYS HE3 H 1 3.021 0.02 . 2 . . . . 81 LYS QE . 6751 1 996 . 1 1 81 81 LYS C C 13 179.063 0.25 . 1 . . . . 81 LYS C . 6751 1 997 . 1 1 81 81 LYS CA C 13 59.435 0.25 . 1 . . . . 81 LYS CA . 6751 1 998 . 1 1 81 81 LYS CB C 13 32.435 0.25 . 1 . . . . 81 LYS CB . 6751 1 999 . 1 1 81 81 LYS CG C 13 24.935 0.25 . 1 . . . . 81 LYS CG . 6751 1 1000 . 1 1 81 81 LYS CD C 13 29.435 0.25 . 1 . . . . 81 LYS CD . 6751 1 1001 . 1 1 81 81 LYS CE C 13 42.185 0.25 . 1 . . . . 81 LYS CE . 6751 1 1002 . 1 1 81 81 LYS N N 15 115.727 0.2 . 1 . . . . 81 LYS N . 6751 1 1003 . 1 1 82 82 ARG H H 1 7.771 0.02 . 1 . . . . 82 ARG HN . 6751 1 1004 . 1 1 82 82 ARG HA H 1 3.984 0.02 . 1 . . . . 82 ARG HA . 6751 1 1005 . 1 1 82 82 ARG HB2 H 1 1.518 0.02 . 2 . . . . 82 ARG HB2 . 6751 1 1006 . 1 1 82 82 ARG HB3 H 1 1.135 0.02 . 2 . . . . 82 ARG HB3 . 6751 1 1007 . 1 1 82 82 ARG HG2 H 1 1.023 0.02 . 2 . . . . 82 ARG HG2 . 6751 1 1008 . 1 1 82 82 ARG HG3 H 1 0.691 0.02 . 2 . . . . 82 ARG HG3 . 6751 1 1009 . 1 1 82 82 ARG HD2 H 1 3.392 0.02 . 2 . . . . 82 ARG HD2 . 6751 1 1010 . 1 1 82 82 ARG HD3 H 1 2.575 0.02 . 2 . . . . 82 ARG HD3 . 6751 1 1011 . 1 1 82 82 ARG HE H 1 6.488 0.02 . 1 . . . . 82 ARG HE . 6751 1 1012 . 1 1 82 82 ARG C C 13 178.22 0.25 . 1 . . . . 82 ARG C . 6751 1 1013 . 1 1 82 82 ARG CA C 13 57.185 0.25 . 1 . . . . 82 ARG CA . 6751 1 1014 . 1 1 82 82 ARG CB C 13 29.435 0.25 . 1 . . . . 82 ARG CB . 6751 1 1015 . 1 1 82 82 ARG CG C 13 25.435 0.25 . 1 . . . . 82 ARG CG . 6751 1 1016 . 1 1 82 82 ARG CD C 13 43.123 0.25 . 1 . . . . 82 ARG CD . 6751 1 1017 . 1 1 82 82 ARG N N 15 119.905 0.2 . 1 . . . . 82 ARG N . 6751 1 1018 . 1 1 82 82 ARG NE N 15 84.384 0.2 . 1 . . . . 82 ARG NE . 6751 1 1019 . 1 1 83 83 LEU H H 1 8.682 0.02 . 1 . . . . 83 LEU HN . 6751 1 1020 . 1 1 83 83 LEU HA H 1 4.069 0.02 . 1 . . . . 83 LEU HA . 6751 1 1021 . 1 1 83 83 LEU HB2 H 1 2.188 0.02 . 2 . . . . 83 LEU HB2 . 6751 1 1022 . 1 1 83 83 LEU HB3 H 1 1.281 0.02 . 2 . . . . 83 LEU HB3 . 6751 1 1023 . 1 1 83 83 LEU HG H 1 2.092 0.02 . 1 . . . . 83 LEU HG . 6751 1 1024 . 1 1 83 83 LEU HD11 H 1 0.941 0.02 . 2 . . . . 83 LEU QD1 . 6751 1 1025 . 1 1 83 83 LEU HD12 H 1 0.941 0.02 . 2 . . . . 83 LEU QD1 . 6751 1 1026 . 1 1 83 83 LEU HD13 H 1 0.941 0.02 . 2 . . . . 83 LEU QD1 . 6751 1 1027 . 1 1 83 83 LEU HD21 H 1 0.948 0.02 . 2 . . . . 83 LEU QD2 . 6751 1 1028 . 1 1 83 83 LEU HD22 H 1 0.948 0.02 . 2 . . . . 83 LEU QD2 . 6751 1 1029 . 1 1 83 83 LEU HD23 H 1 0.948 0.02 . 2 . . . . 83 LEU QD2 . 6751 1 1030 . 1 1 83 83 LEU C C 13 179.33 0.25 . 1 . . . . 83 LEU C . 6751 1 1031 . 1 1 83 83 LEU CA C 13 57.685 0.25 . 1 . . . . 83 LEU CA . 6751 1 1032 . 1 1 83 83 LEU CB C 13 42.185 0.25 . 1 . . . . 83 LEU CB . 6751 1 1033 . 1 1 83 83 LEU CG C 13 26.685 0.25 . 1 . . . . 83 LEU CG . 6751 1 1034 . 1 1 83 83 LEU CD1 C 13 27.935 0.25 . 2 . . . . 83 LEU CD1 . 6751 1 1035 . 1 1 83 83 LEU CD2 C 13 23.685 0.25 . 2 . . . . 83 LEU CD2 . 6751 1 1036 . 1 1 83 83 LEU N N 15 117.492 0.2 . 1 . . . . 83 LEU N . 6751 1 1037 . 1 1 84 84 GLY H H 1 8.403 0.02 . 1 . . . . 84 GLY HN . 6751 1 1038 . 1 1 84 84 GLY HA2 H 1 3.629 0.02 . 2 . . . . 84 GLY QA . 6751 1 1039 . 1 1 84 84 GLY HA3 H 1 3.629 0.02 . 2 . . . . 84 GLY QA . 6751 1 1040 . 1 1 84 84 GLY C C 13 175.313 0.02 . 1 . . . . 84 GLY C . 6751 1 1041 . 1 1 84 84 GLY CA C 13 46.685 0.02 . 1 . . . . 84 GLY CA . 6751 1 1042 . 1 1 84 84 GLY N N 15 105.859 0.2 . 1 . . . . 84 GLY N . 6751 1 1043 . 1 1 85 85 GLU H H 1 7.78 0.02 . 1 . . . . 85 GLU HN . 6751 1 1044 . 1 1 85 85 GLU HA H 1 3.942 0.02 . 1 . . . . 85 GLU HA . 6751 1 1045 . 1 1 85 85 GLU HB2 H 1 2.251 0.02 . 2 . . . . 85 GLU HB2 . 6751 1 1046 . 1 1 85 85 GLU HB3 H 1 1.956 0.02 . 2 . . . . 85 GLU HB3 . 6751 1 1047 . 1 1 85 85 GLU HG2 H 1 2.458 0.02 . 2 . . . . 85 GLU HG2 . 6751 1 1048 . 1 1 85 85 GLU HG3 H 1 2.248 0.02 . 2 . . . . 85 GLU HG3 . 6751 1 1049 . 1 1 85 85 GLU C C 13 179.105 0.25 . 1 . . . . 85 GLU C . 6751 1 1050 . 1 1 85 85 GLU CA C 13 58.685 0.25 . 1 . . . . 85 GLU CA . 6751 1 1051 . 1 1 85 85 GLU CB C 13 29.935 0.25 . 1 . . . . 85 GLU CB . 6751 1 1052 . 1 1 85 85 GLU CG C 13 36.185 0.25 . 1 . . . . 85 GLU CG . 6751 1 1053 . 1 1 85 85 GLU N N 15 120.979 0.2 . 1 . . . . 85 GLU N . 6751 1 1054 . 1 1 86 86 LEU H H 1 7.635 0.02 . 1 . . . . 86 LEU HN . 6751 1 1055 . 1 1 86 86 LEU HA H 1 3.943 0.02 . 1 . . . . 86 LEU HA . 6751 1 1056 . 1 1 86 86 LEU HB2 H 1 1.161 0.02 . 2 . . . . 86 LEU HB2 . 6751 1 1057 . 1 1 86 86 LEU HB3 H 1 0.142 0.02 . 2 . . . . 86 LEU HB3 . 6751 1 1058 . 1 1 86 86 LEU HG H 1 1.444 0.02 . 1 . . . . 86 LEU HG . 6751 1 1059 . 1 1 86 86 LEU HD11 H 1 0.669 0.02 . 2 . . . . 86 LEU QD1 . 6751 1 1060 . 1 1 86 86 LEU HD12 H 1 0.669 0.02 . 2 . . . . 86 LEU QD1 . 6751 1 1061 . 1 1 86 86 LEU HD13 H 1 0.669 0.02 . 2 . . . . 86 LEU QD1 . 6751 1 1062 . 1 1 86 86 LEU HD21 H 1 0.657 0.02 . 2 . . . . 86 LEU QD2 . 6751 1 1063 . 1 1 86 86 LEU HD22 H 1 0.657 0.02 . 2 . . . . 86 LEU QD2 . 6751 1 1064 . 1 1 86 86 LEU HD23 H 1 0.657 0.02 . 2 . . . . 86 LEU QD2 . 6751 1 1065 . 1 1 86 86 LEU C C 13 179.667 0.25 . 1 . . . . 86 LEU C . 6751 1 1066 . 1 1 86 86 LEU CA C 13 56.685 0.25 . 1 . . . . 86 LEU CA . 6751 1 1067 . 1 1 86 86 LEU CB C 13 43.123 0.25 . 1 . . . . 86 LEU CB . 6751 1 1068 . 1 1 86 86 LEU CG C 13 26.685 0.25 . 1 . . . . 86 LEU CG . 6751 1 1069 . 1 1 86 86 LEU CD1 C 13 25.685 0.25 . 2 . . . . 86 LEU CD1 . 6751 1 1070 . 1 1 86 86 LEU CD2 C 13 21.935 0.25 . 2 . . . . 86 LEU CD2 . 6751 1 1071 . 1 1 86 86 LEU N N 15 116.553 0.2 . 1 . . . . 86 LEU N . 6751 1 1072 . 1 1 87 87 TYR H H 1 7.942 0.02 . 1 . . . . 87 TYR HN . 6751 1 1073 . 1 1 87 87 TYR HA H 1 4.898 0.02 . 1 . . . . 87 TYR HA . 6751 1 1074 . 1 1 87 87 TYR HB2 H 1 3.203 0.02 . 2 . . . . 87 TYR HB2 . 6751 1 1075 . 1 1 87 87 TYR HB3 H 1 2.535 0.02 . 2 . . . . 87 TYR HB3 . 6751 1 1076 . 1 1 87 87 TYR HD1 H 1 7.042 0.02 . 3 . . . . 87 TYR QD . 6751 1 1077 . 1 1 87 87 TYR HD2 H 1 7.042 0.02 . 3 . . . . 87 TYR QD . 6751 1 1078 . 1 1 87 87 TYR HE1 H 1 6.634 0.02 . 3 . . . . 87 TYR QE . 6751 1 1079 . 1 1 87 87 TYR HE2 H 1 6.634 0.02 . 3 . . . . 87 TYR QE . 6751 1 1080 . 1 1 87 87 TYR C C 13 175.425 0.25 . 1 . . . . 87 TYR C . 6751 1 1081 . 1 1 87 87 TYR CA C 13 58.685 0.25 . 1 . . . . 87 TYR CA . 6751 1 1082 . 1 1 87 87 TYR CB C 13 40.309 0.25 . 1 . . . . 87 TYR CB . 6751 1 1083 . 1 1 87 87 TYR N N 15 114.001 0.2 . 1 . . . . 87 TYR N . 6751 1 1084 . 1 1 88 88 LEU H H 1 7.637 0.02 . 1 . . . . 88 LEU HN . 6751 1 1085 . 1 1 88 88 LEU HA H 1 4.365 0.02 . 1 . . . . 88 LEU HA . 6751 1 1086 . 1 1 88 88 LEU HB2 H 1 1.916 0.02 . 2 . . . . 88 LEU HB2 . 6751 1 1087 . 1 1 88 88 LEU HB3 H 1 1.504 0.02 . 2 . . . . 88 LEU HB3 . 6751 1 1088 . 1 1 88 88 LEU HG H 1 1.502 0.02 . 1 . . . . 88 LEU HG . 6751 1 1089 . 1 1 88 88 LEU HD11 H 1 0.661 0.02 . 2 . . . . 88 LEU QD1 . 6751 1 1090 . 1 1 88 88 LEU HD12 H 1 0.661 0.02 . 2 . . . . 88 LEU QD1 . 6751 1 1091 . 1 1 88 88 LEU HD13 H 1 0.661 0.02 . 2 . . . . 88 LEU QD1 . 6751 1 1092 . 1 1 88 88 LEU HD21 H 1 0.643 0.02 . 2 . . . . 88 LEU QD2 . 6751 1 1093 . 1 1 88 88 LEU HD22 H 1 0.643 0.02 . 2 . . . . 88 LEU QD2 . 6751 1 1094 . 1 1 88 88 LEU HD23 H 1 0.643 0.02 . 2 . . . . 88 LEU QD2 . 6751 1 1095 . 1 1 88 88 LEU CA C 13 56.185 0.25 . 1 . . . . 88 LEU CA . 6751 1 1096 . 1 1 88 88 LEU CB C 13 42.185 0.25 . 1 . . . . 88 LEU CB . 6751 1 1097 . 1 1 88 88 LEU CG C 13 27.185 0.25 . 1 . . . . 88 LEU CG . 6751 1 1098 . 1 1 88 88 LEU CD1 C 13 25.435 0.25 . 2 . . . . 88 LEU CD1 . 6751 1 1099 . 1 1 88 88 LEU CD2 C 13 22.685 0.25 . 2 . . . . 88 LEU CD2 . 6751 1 1100 . 1 1 88 88 LEU N N 15 125.119 0.2 . 1 . . . . 88 LEU N . 6751 1 stop_ save_