data_6610 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6610 _Entry.Title ; apg8a.title ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-26 _Entry.Accession_date 2005-04-26 _Entry.Last_release_date 2005-10-26 _Entry.Original_release_date 2005-10-26 _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 'Young Kee' Chae . . . 6610 2 Kyunghee Lee . . . 6610 3 John Markley . L. . 6610 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . CESG . 6610 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6610 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 6610 '15N chemical shifts' 95 6610 '1H chemical shifts' 188 6610 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-10-26 2005-04-26 original author . 6610 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6610 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16211491 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C Resonance Assignments of a Protein Involved in the Autophagy Process, At4g21980.1 from Arabidopsis thaliana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 4 _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 337 _Citation.Page_last 337 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Young Kee' Chae . . . 6610 1 2 Kyunghee Lee . . . 6610 1 3 John Markley . L. . 6610 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID apg8a 6610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6610 _Assembly.ID 1 _Assembly.Name apg8a _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 'all free' _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 apg8a 1 $apg8a . . no native no no . . . 6610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apg8a _Entity.Sf_category entity _Entity.Sf_framecode apg8a _Entity.Entry_ID 6610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apg8a _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 ; MAKSSFKISNPLEARMSESS RIREKYPDRIPVIVEKAGQS DVPDIDKKKYLVPADLTVGQ FVYVVRKRIKLGAEKAIFVF VKNTLPPTAALMSAIYEEHK DEDGFLYMTYSGENTFG ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB88387 . "autophagy 8a [Arabidopsis thaliana]" . . . . . 100.00 122 100.00 100.00 1.13e-78 . . . . 6610 1 2 no EMBL CAA18101 . "symbiosis-related like protein [Arabidopsis thaliana]" . . . . . 87.18 107 100.00 100.00 2.85e-67 . . . . 6610 1 3 no EMBL CAB79153 . "symbiosis-related like protein [Arabidopsis thaliana]" . . . . . 87.18 107 100.00 100.00 2.85e-67 . . . . 6610 1 4 no GB AAM62580 . "symbiosis-related like protein [Arabidopsis thaliana]" . . . . . 100.00 122 99.15 100.00 1.20e-78 . . . . 6610 1 5 no GB AAM70188 . "autophagy APG8 [Arabidopsis thaliana]" . . . . . 100.00 122 100.00 100.00 1.13e-78 . . . . 6610 1 6 no GB AAN72035 . "symbiosis-related like protein [Arabidopsis thaliana]" . . . . . 100.00 122 100.00 100.00 1.13e-78 . . . . 6610 1 7 no GB AAP21330 . "At4g21980 [Arabidopsis thaliana]" . . . . . 100.00 122 100.00 100.00 1.13e-78 . . . . 6610 1 8 no GB AEE84537 . "autophagy-related protein 8a [Arabidopsis thaliana]" . . . . . 100.00 122 100.00 100.00 1.13e-78 . . . . 6610 1 9 no REF NP_001078424 . "autophagy-related protein 8a [Arabidopsis thaliana]" . . . . . 100.00 137 100.00 100.00 8.60e-79 . . . . 6610 1 10 no REF NP_567642 . "autophagy-related protein 8a [Arabidopsis thaliana]" . . . . . 100.00 122 100.00 100.00 1.13e-78 . . . . 6610 1 11 no REF XP_002869850 . "predicted protein [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 137 100.00 100.00 1.71e-78 . . . . 6610 1 12 no REF XP_006284768 . "hypothetical protein CARUB_v10006036mg [Capsella rubella]" . . . . . 100.00 122 99.15 100.00 2.12e-78 . . . . 6610 1 13 no REF XP_006413700 . "hypothetical protein EUTSA_v10026531mg [Eutrema salsugineum]" . . . . . 100.00 137 97.44 99.15 4.27e-77 . . . . 6610 1 14 no SP Q8LEM4 . "RecName: Full=Autophagy-related protein 8a; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8a; Short=AtAPG8a; Short" . . . . . 100.00 122 100.00 100.00 1.13e-78 . . . . 6610 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6610 1 2 . ALA . 6610 1 3 . LYS . 6610 1 4 . SER . 6610 1 5 . SER . 6610 1 6 . PHE . 6610 1 7 . LYS . 6610 1 8 . ILE . 6610 1 9 . SER . 6610 1 10 . ASN . 6610 1 11 . PRO . 6610 1 12 . LEU . 6610 1 13 . GLU . 6610 1 14 . ALA . 6610 1 15 . ARG . 6610 1 16 . MET . 6610 1 17 . SER . 6610 1 18 . GLU . 6610 1 19 . SER . 6610 1 20 . SER . 6610 1 21 . ARG . 6610 1 22 . ILE . 6610 1 23 . ARG . 6610 1 24 . GLU . 6610 1 25 . LYS . 6610 1 26 . TYR . 6610 1 27 . PRO . 6610 1 28 . ASP . 6610 1 29 . ARG . 6610 1 30 . ILE . 6610 1 31 . PRO . 6610 1 32 . VAL . 6610 1 33 . ILE . 6610 1 34 . VAL . 6610 1 35 . GLU . 6610 1 36 . LYS . 6610 1 37 . ALA . 6610 1 38 . GLY . 6610 1 39 . GLN . 6610 1 40 . SER . 6610 1 41 . ASP . 6610 1 42 . VAL . 6610 1 43 . PRO . 6610 1 44 . ASP . 6610 1 45 . ILE . 6610 1 46 . ASP . 6610 1 47 . LYS . 6610 1 48 . LYS . 6610 1 49 . LYS . 6610 1 50 . TYR . 6610 1 51 . LEU . 6610 1 52 . VAL . 6610 1 53 . PRO . 6610 1 54 . ALA . 6610 1 55 . ASP . 6610 1 56 . LEU . 6610 1 57 . THR . 6610 1 58 . VAL . 6610 1 59 . GLY . 6610 1 60 . GLN . 6610 1 61 . PHE . 6610 1 62 . VAL . 6610 1 63 . TYR . 6610 1 64 . VAL . 6610 1 65 . VAL . 6610 1 66 . ARG . 6610 1 67 . LYS . 6610 1 68 . ARG . 6610 1 69 . ILE . 6610 1 70 . LYS . 6610 1 71 . LEU . 6610 1 72 . GLY . 6610 1 73 . ALA . 6610 1 74 . GLU . 6610 1 75 . LYS . 6610 1 76 . ALA . 6610 1 77 . ILE . 6610 1 78 . PHE . 6610 1 79 . VAL . 6610 1 80 . PHE . 6610 1 81 . VAL . 6610 1 82 . LYS . 6610 1 83 . ASN . 6610 1 84 . THR . 6610 1 85 . LEU . 6610 1 86 . PRO . 6610 1 87 . PRO . 6610 1 88 . THR . 6610 1 89 . ALA . 6610 1 90 . ALA . 6610 1 91 . LEU . 6610 1 92 . MET . 6610 1 93 . SER . 6610 1 94 . ALA . 6610 1 95 . ILE . 6610 1 96 . TYR . 6610 1 97 . GLU . 6610 1 98 . GLU . 6610 1 99 . HIS . 6610 1 100 . LYS . 6610 1 101 . ASP . 6610 1 102 . GLU . 6610 1 103 . ASP . 6610 1 104 . GLY . 6610 1 105 . PHE . 6610 1 106 . LEU . 6610 1 107 . TYR . 6610 1 108 . MET . 6610 1 109 . THR . 6610 1 110 . TYR . 6610 1 111 . SER . 6610 1 112 . GLY . 6610 1 113 . GLU . 6610 1 114 . ASN . 6610 1 115 . THR . 6610 1 116 . PHE . 6610 1 117 . GLY . 6610 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6610 1 . ALA 2 2 6610 1 . LYS 3 3 6610 1 . SER 4 4 6610 1 . SER 5 5 6610 1 . PHE 6 6 6610 1 . LYS 7 7 6610 1 . ILE 8 8 6610 1 . SER 9 9 6610 1 . ASN 10 10 6610 1 . PRO 11 11 6610 1 . LEU 12 12 6610 1 . GLU 13 13 6610 1 . ALA 14 14 6610 1 . ARG 15 15 6610 1 . MET 16 16 6610 1 . SER 17 17 6610 1 . GLU 18 18 6610 1 . SER 19 19 6610 1 . SER 20 20 6610 1 . ARG 21 21 6610 1 . ILE 22 22 6610 1 . ARG 23 23 6610 1 . GLU 24 24 6610 1 . LYS 25 25 6610 1 . TYR 26 26 6610 1 . PRO 27 27 6610 1 . ASP 28 28 6610 1 . ARG 29 29 6610 1 . ILE 30 30 6610 1 . PRO 31 31 6610 1 . VAL 32 32 6610 1 . ILE 33 33 6610 1 . VAL 34 34 6610 1 . GLU 35 35 6610 1 . LYS 36 36 6610 1 . ALA 37 37 6610 1 . GLY 38 38 6610 1 . GLN 39 39 6610 1 . SER 40 40 6610 1 . ASP 41 41 6610 1 . VAL 42 42 6610 1 . PRO 43 43 6610 1 . ASP 44 44 6610 1 . ILE 45 45 6610 1 . ASP 46 46 6610 1 . LYS 47 47 6610 1 . LYS 48 48 6610 1 . LYS 49 49 6610 1 . TYR 50 50 6610 1 . LEU 51 51 6610 1 . VAL 52 52 6610 1 . PRO 53 53 6610 1 . ALA 54 54 6610 1 . ASP 55 55 6610 1 . LEU 56 56 6610 1 . THR 57 57 6610 1 . VAL 58 58 6610 1 . GLY 59 59 6610 1 . GLN 60 60 6610 1 . PHE 61 61 6610 1 . VAL 62 62 6610 1 . TYR 63 63 6610 1 . VAL 64 64 6610 1 . VAL 65 65 6610 1 . ARG 66 66 6610 1 . LYS 67 67 6610 1 . ARG 68 68 6610 1 . ILE 69 69 6610 1 . LYS 70 70 6610 1 . LEU 71 71 6610 1 . GLY 72 72 6610 1 . ALA 73 73 6610 1 . GLU 74 74 6610 1 . LYS 75 75 6610 1 . ALA 76 76 6610 1 . ILE 77 77 6610 1 . PHE 78 78 6610 1 . VAL 79 79 6610 1 . PHE 80 80 6610 1 . VAL 81 81 6610 1 . LYS 82 82 6610 1 . ASN 83 83 6610 1 . THR 84 84 6610 1 . LEU 85 85 6610 1 . PRO 86 86 6610 1 . PRO 87 87 6610 1 . THR 88 88 6610 1 . ALA 89 89 6610 1 . ALA 90 90 6610 1 . LEU 91 91 6610 1 . MET 92 92 6610 1 . SER 93 93 6610 1 . ALA 94 94 6610 1 . ILE 95 95 6610 1 . TYR 96 96 6610 1 . GLU 97 97 6610 1 . GLU 98 98 6610 1 . HIS 99 99 6610 1 . LYS 100 100 6610 1 . ASP 101 101 6610 1 . GLU 102 102 6610 1 . ASP 103 103 6610 1 . GLY 104 104 6610 1 . PHE 105 105 6610 1 . LEU 106 106 6610 1 . TYR 107 107 6610 1 . MET 108 108 6610 1 . THR 109 109 6610 1 . TYR 110 110 6610 1 . SER 111 111 6610 1 . GLY 112 112 6610 1 . GLU 113 113 6610 1 . ASN 114 114 6610 1 . THR 115 115 6610 1 . PHE 116 116 6610 1 . GLY 117 117 6610 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 6610 _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 $apg8a . 3702 . no . 'arabidopsis thaliana' . . Eukaryota Viridiplantae arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6610 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 6610 _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 $apg8a . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6610 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_apg8a.sample _Sample.Sf_category sample _Sample.Sf_framecode apg8a.sample _Sample.Entry_ID 6610 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 apg8a '[U-15N; U-13C]' 1 . 1 $apg8a . . 1.0 . . mM . . . . 6610 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_label _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_label _Sample_condition_list.Entry_ID 6610 _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 pH 7.0 0.1 pH 6610 1 temperature 298 1 K 6610 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_label_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_label_1 _NMR_spectrometer.Entry_ID 6610 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_label_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_label_2 _NMR_spectrometer.Entry_ID 6610 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6610 _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 n15-hsqc no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6610 1 2 hnca no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6610 1 3 hncoca no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6610 1 4 cbcaconh no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6610 1 5 n15-tocsy no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6610 1 6 hnco no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6610 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_cs_ref_label _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode cs_ref_label _Chem_shift_reference.Entry_ID 6610 _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 . . . . . . . . . 6610 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6610 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6610 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_cs_list_label _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_list_label _Assigned_chem_shift_list.Entry_ID 6610 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_label _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $cs_ref_label _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 $apg8a.sample solution 6610 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 175.573 0.1 . 1 . . . . 1 MET C . 6610 1 2 . 1 1 1 1 MET CA C 13 55.328 0.1 . 1 . . . . 1 MET CA . 6610 1 3 . 1 1 1 1 MET CB C 13 33.044 0.1 . 1 . . . . 1 MET CB . 6610 1 4 . 1 1 2 2 ALA H H 1 8.328 0.05 . 1 . . . . 2 ALA H . 6610 1 5 . 1 1 2 2 ALA C C 13 177.506 0.1 . 1 . . . . 2 ALA C . 6610 1 6 . 1 1 2 2 ALA CA C 13 52.518 0.1 . 1 . . . . 2 ALA CA . 6610 1 7 . 1 1 2 2 ALA CB C 13 19.541 0.1 . 1 . . . . 2 ALA CB . 6610 1 8 . 1 1 2 2 ALA N N 15 125.671 0.1 . 1 . . . . 2 ALA N . 6610 1 9 . 1 1 3 3 LYS H H 1 8.336 0.05 . 1 . . . . 3 LYS H . 6610 1 10 . 1 1 3 3 LYS CA C 13 56.258 0.1 . 1 . . . . 3 LYS CA . 6610 1 11 . 1 1 3 3 LYS N N 15 121.116 0.1 . 1 . . . . 3 LYS N . 6610 1 12 . 1 1 13 13 GLU C C 13 178.858 0.1 . 1 . . . . 13 GLU C . 6610 1 13 . 1 1 14 14 ALA H H 1 7.197 0.05 . 1 . . . . 14 ALA H . 6610 1 14 . 1 1 14 14 ALA HA H 1 4.385 0.05 . 1 . . . . 14 ALA HA . 6610 1 15 . 1 1 14 14 ALA C C 13 180.744 0.1 . 1 . . . . 14 ALA C . 6610 1 16 . 1 1 14 14 ALA CA C 13 54.665 0.1 . 1 . . . . 14 ALA CA . 6610 1 17 . 1 1 14 14 ALA CB C 13 18.761 0.1 . 1 . . . . 14 ALA CB . 6610 1 18 . 1 1 14 14 ALA N N 15 122.104 0.1 . 1 . . . . 14 ALA N . 6610 1 19 . 1 1 15 15 ARG H H 1 8.191 0.05 . 1 . . . . 15 ARG H . 6610 1 20 . 1 1 15 15 ARG HA H 1 4.324 0.05 . 1 . . . . 15 ARG HA . 6610 1 21 . 1 1 15 15 ARG C C 13 177.635 0.1 . 1 . . . . 15 ARG C . 6610 1 22 . 1 1 15 15 ARG CA C 13 61.059 0.1 . 1 . . . . 15 ARG CA . 6610 1 23 . 1 1 15 15 ARG N N 15 121.009 0.1 . 1 . . . . 15 ARG N . 6610 1 24 . 1 1 16 16 MET H H 1 8.95 0.05 . 1 . . . . 16 MET H . 6610 1 25 . 1 1 16 16 MET C C 13 179.006 0.1 . 1 . . . . 16 MET C . 6610 1 26 . 1 1 16 16 MET CA C 13 58.634 0.1 . 1 . . . . 16 MET CA . 6610 1 27 . 1 1 16 16 MET CB C 13 33.613 0.1 . 1 . . . . 16 MET CB . 6610 1 28 . 1 1 16 16 MET N N 15 117.11 0.1 . 1 . . . . 16 MET N . 6610 1 29 . 1 1 17 17 SER H H 1 7.981 0.05 . 1 . . . . 17 SER H . 6610 1 30 . 1 1 17 17 SER HA H 1 4.311 0.05 . 1 . . . . 17 SER HA . 6610 1 31 . 1 1 17 17 SER C C 13 176.476 0.1 . 1 . . . . 17 SER C . 6610 1 32 . 1 1 17 17 SER CA C 13 61.425 0.1 . 1 . . . . 17 SER CA . 6610 1 33 . 1 1 17 17 SER CB C 13 63.161 0.1 . 1 . . . . 17 SER CB . 6610 1 34 . 1 1 17 17 SER N N 15 114.302 0.1 . 1 . . . . 17 SER N . 6610 1 35 . 1 1 18 18 GLU H H 1 8.187 0.05 . 1 . . . . 18 GLU H . 6610 1 36 . 1 1 18 18 GLU HA H 1 4.386 0.05 . 1 . . . . 18 GLU HA . 6610 1 37 . 1 1 18 18 GLU C C 13 178.557 0.1 . 1 . . . . 18 GLU C . 6610 1 38 . 1 1 18 18 GLU CA C 13 59.424 0.1 . 1 . . . . 18 GLU CA . 6610 1 39 . 1 1 18 18 GLU CB C 13 29.691 0.1 . 1 . . . . 18 GLU CB . 6610 1 40 . 1 1 18 18 GLU N N 15 122.496 0.1 . 1 . . . . 18 GLU N . 6610 1 41 . 1 1 19 19 SER H H 1 8.995 0.05 . 1 . . . . 19 SER H . 6610 1 42 . 1 1 19 19 SER C C 13 177.199 0.1 . 1 . . . . 19 SER C . 6610 1 43 . 1 1 19 19 SER CA C 13 61.728 0.1 . 1 . . . . 19 SER CA . 6610 1 44 . 1 1 19 19 SER CB C 13 60.212 0.1 . 1 . . . . 19 SER CB . 6610 1 45 . 1 1 19 19 SER N N 15 116.174 0.1 . 1 . . . . 19 SER N . 6610 1 46 . 1 1 20 20 SER H H 1 7.996 0.05 . 1 . . . . 20 SER H . 6610 1 47 . 1 1 20 20 SER HA H 1 4.195 0.05 . 1 . . . . 20 SER HA . 6610 1 48 . 1 1 20 20 SER C C 13 176.758 0.1 . 1 . . . . 20 SER C . 6610 1 49 . 1 1 20 20 SER CA C 13 61.984 0.1 . 1 . . . . 20 SER CA . 6610 1 50 . 1 1 20 20 SER CB C 13 63.015 0.1 . 1 . . . . 20 SER CB . 6610 1 51 . 1 1 20 20 SER N N 15 118.286 0.1 . 1 . . . . 20 SER N . 6610 1 52 . 1 1 21 21 ARG H H 1 8.001 0.05 . 1 . . . . 21 ARG H . 6610 1 53 . 1 1 21 21 ARG HA H 1 4.188 0.05 . 1 . . . . 21 ARG HA . 6610 1 54 . 1 1 21 21 ARG C C 13 179.251 0.1 . 1 . . . . 21 ARG C . 6610 1 55 . 1 1 21 21 ARG CA C 13 59.377 0.1 . 1 . . . . 21 ARG CA . 6610 1 56 . 1 1 21 21 ARG CB C 13 30.464 0.1 . 1 . . . . 21 ARG CB . 6610 1 57 . 1 1 21 21 ARG N N 15 122.714 0.1 . 1 . . . . 21 ARG N . 6610 1 58 . 1 1 22 22 ILE H H 1 8.252 0.05 . 1 . . . . 22 ILE H . 6610 1 59 . 1 1 22 22 ILE HA H 1 3.816 0.05 . 1 . . . . 22 ILE HA . 6610 1 60 . 1 1 22 22 ILE C C 13 177.145 0.1 . 1 . . . . 22 ILE C . 6610 1 61 . 1 1 22 22 ILE CA C 13 65.285 0.1 . 1 . . . . 22 ILE CA . 6610 1 62 . 1 1 22 22 ILE N N 15 120.247 0.1 . 1 . . . . 22 ILE N . 6610 1 63 . 1 1 23 23 ARG H H 1 8.048 0.05 . 1 . . . . 23 ARG H . 6610 1 64 . 1 1 23 23 ARG HA H 1 4.092 0.05 . 1 . . . . 23 ARG HA . 6610 1 65 . 1 1 23 23 ARG C C 13 178.054 0.1 . 1 . . . . 23 ARG C . 6610 1 66 . 1 1 23 23 ARG CA C 13 57.731 0.1 . 1 . . . . 23 ARG CA . 6610 1 67 . 1 1 23 23 ARG N N 15 118.103 0.1 . 1 . . . . 23 ARG N . 6610 1 68 . 1 1 24 24 GLU H H 1 7.747 0.05 . 1 . . . . 24 GLU H . 6610 1 69 . 1 1 24 24 GLU HA H 1 4.082 0.05 . 1 . . . . 24 GLU HA . 6610 1 70 . 1 1 24 24 GLU C C 13 177.797 0.1 . 1 . . . . 24 GLU C . 6610 1 71 . 1 1 24 24 GLU CA C 13 58.405 0.1 . 1 . . . . 24 GLU CA . 6610 1 72 . 1 1 24 24 GLU CB C 13 30.32 0.1 . 1 . . . . 24 GLU CB . 6610 1 73 . 1 1 24 24 GLU N N 15 117.383 0.1 . 1 . . . . 24 GLU N . 6610 1 74 . 1 1 25 25 LYS H H 1 7.799 0.05 . 1 . . . . 25 LYS H . 6610 1 75 . 1 1 25 25 LYS HA H 1 3.931 0.05 . 1 . . . . 25 LYS HA . 6610 1 76 . 1 1 25 25 LYS C C 13 176.372 0.1 . 1 . . . . 25 LYS C . 6610 1 77 . 1 1 25 25 LYS CA C 13 57.957 0.1 . 1 . . . . 25 LYS CA . 6610 1 78 . 1 1 25 25 LYS CB C 13 33.576 0.1 . 1 . . . . 25 LYS CB . 6610 1 79 . 1 1 25 25 LYS N N 15 118.203 0.1 . 1 . . . . 25 LYS N . 6610 1 80 . 1 1 26 26 TYR H H 1 8.418 0.05 . 1 . . . . 26 TYR H . 6610 1 81 . 1 1 26 26 TYR HA H 1 5.106 0.05 . 1 . . . . 26 TYR HA . 6610 1 82 . 1 1 26 26 TYR CA C 13 53.975 0.1 . 1 . . . . 26 TYR CA . 6610 1 83 . 1 1 26 26 TYR N N 15 116.416 0.1 . 1 . . . . 26 TYR N . 6610 1 84 . 1 1 27 27 PRO HA H 1 4.575 0.05 . 1 . . . . 27 PRO HA . 6610 1 85 . 1 1 27 27 PRO C C 13 176.884 0.1 . 1 . . . . 27 PRO C . 6610 1 86 . 1 1 27 27 PRO CA C 13 64.752 0.1 . 1 . . . . 27 PRO CA . 6610 1 87 . 1 1 27 27 PRO CB C 13 32.02 0.1 . 1 . . . . 27 PRO CB . 6610 1 88 . 1 1 28 28 ASP H H 1 8.593 0.05 . 1 . . . . 28 ASP H . 6610 1 89 . 1 1 28 28 ASP HA H 1 4.69 0.05 . 1 . . . . 28 ASP HA . 6610 1 90 . 1 1 28 28 ASP C C 13 175.619 0.1 . 1 . . . . 28 ASP C . 6610 1 91 . 1 1 28 28 ASP CA C 13 53.23 0.1 . 1 . . . . 28 ASP CA . 6610 1 92 . 1 1 28 28 ASP CB C 13 40.463 0.1 . 1 . . . . 28 ASP CB . 6610 1 93 . 1 1 28 28 ASP N N 15 115.427 0.1 . 1 . . . . 28 ASP N . 6610 1 94 . 1 1 29 29 ARG H H 1 7.907 0.05 . 1 . . . . 29 ARG H . 6610 1 95 . 1 1 29 29 ARG HA H 1 4.939 0.05 . 1 . . . . 29 ARG HA . 6610 1 96 . 1 1 29 29 ARG C C 13 174.319 0.1 . 1 . . . . 29 ARG C . 6610 1 97 . 1 1 29 29 ARG CA C 13 53.569 0.1 . 1 . . . . 29 ARG CA . 6610 1 98 . 1 1 29 29 ARG CB C 13 33.524 0.1 . 1 . . . . 29 ARG CB . 6610 1 99 . 1 1 29 29 ARG N N 15 118.119 0.1 . 1 . . . . 29 ARG N . 6610 1 100 . 1 1 30 30 ILE H H 1 9.282 0.05 . 1 . . . . 30 ILE H . 6610 1 101 . 1 1 30 30 ILE HA H 1 4.17 0.05 . 1 . . . . 30 ILE HA . 6610 1 102 . 1 1 30 30 ILE CA C 13 55.672 0.1 . 1 . . . . 30 ILE CA . 6610 1 103 . 1 1 30 30 ILE N N 15 119.872 0.1 . 1 . . . . 30 ILE N . 6610 1 104 . 1 1 31 31 PRO C C 13 174.368 0.1 . 1 . . . . 31 PRO C . 6610 1 105 . 1 1 31 31 PRO CA C 13 61.456 0.1 . 1 . . . . 31 PRO CA . 6610 1 106 . 1 1 31 31 PRO CB C 13 31.093 0.1 . 1 . . . . 31 PRO CB . 6610 1 107 . 1 1 32 32 VAL H H 1 8.991 0.05 . 1 . . . . 32 VAL H . 6610 1 108 . 1 1 32 32 VAL HA H 1 5.132 0.05 . 1 . . . . 32 VAL HA . 6610 1 109 . 1 1 32 32 VAL C C 13 174.102 0.1 . 1 . . . . 32 VAL C . 6610 1 110 . 1 1 32 32 VAL CA C 13 60.389 0.1 . 1 . . . . 32 VAL CA . 6610 1 111 . 1 1 32 32 VAL CB C 13 35.99 0.1 . 1 . . . . 32 VAL CB . 6610 1 112 . 1 1 32 32 VAL N N 15 126.484 0.1 . 1 . . . . 32 VAL N . 6610 1 113 . 1 1 33 33 ILE H H 1 8.939 0.05 . 1 . . . . 33 ILE H . 6610 1 114 . 1 1 33 33 ILE HA H 1 4.998 0.05 . 1 . . . . 33 ILE HA . 6610 1 115 . 1 1 33 33 ILE C C 13 175.19 0.1 . 1 . . . . 33 ILE C . 6610 1 116 . 1 1 33 33 ILE CA C 13 57.158 0.1 . 1 . . . . 33 ILE CA . 6610 1 117 . 1 1 33 33 ILE CB C 13 37.243 0.1 . 1 . . . . 33 ILE CB . 6610 1 118 . 1 1 33 33 ILE N N 15 128.066 0.1 . 1 . . . . 33 ILE N . 6610 1 119 . 1 1 34 34 VAL H H 1 9.289 0.05 . 1 . . . . 34 VAL H . 6610 1 120 . 1 1 34 34 VAL HA H 1 5.106 0.05 . 1 . . . . 34 VAL HA . 6610 1 121 . 1 1 34 34 VAL C C 13 174.418 0.1 . 1 . . . . 34 VAL C . 6610 1 122 . 1 1 34 34 VAL CA C 13 60.707 0.1 . 1 . . . . 34 VAL CA . 6610 1 123 . 1 1 34 34 VAL CB C 13 34.191 0.1 . 1 . . . . 34 VAL CB . 6610 1 124 . 1 1 34 34 VAL N N 15 126.997 0.1 . 1 . . . . 34 VAL N . 6610 1 125 . 1 1 35 35 GLU H H 1 8.119 0.05 . 1 . . . . 35 GLU H . 6610 1 126 . 1 1 35 35 GLU HA H 1 4.982 0.05 . 1 . . . . 35 GLU HA . 6610 1 127 . 1 1 35 35 GLU C C 13 174.505 0.1 . 1 . . . . 35 GLU C . 6610 1 128 . 1 1 35 35 GLU CA C 13 53.913 0.1 . 1 . . . . 35 GLU CA . 6610 1 129 . 1 1 35 35 GLU CB C 13 35.436 0.1 . 1 . . . . 35 GLU CB . 6610 1 130 . 1 1 35 35 GLU N N 15 121.802 0.1 . 1 . . . . 35 GLU N . 6610 1 131 . 1 1 36 36 LYS H H 1 9.018 0.05 . 1 . . . . 36 LYS H . 6610 1 132 . 1 1 36 36 LYS HA H 1 3.147 0.05 . 1 . . . . 36 LYS HA . 6610 1 133 . 1 1 36 36 LYS C C 13 177.182 0.1 . 1 . . . . 36 LYS C . 6610 1 134 . 1 1 36 36 LYS CA C 13 56.809 0.1 . 1 . . . . 36 LYS CA . 6610 1 135 . 1 1 36 36 LYS CB C 13 33.122 0.1 . 1 . . . . 36 LYS CB . 6610 1 136 . 1 1 36 36 LYS N N 15 123.613 0.1 . 1 . . . . 36 LYS N . 6610 1 137 . 1 1 37 37 ALA H H 1 8.719 0.05 . 1 . . . . 37 ALA H . 6610 1 138 . 1 1 37 37 ALA HA H 1 4.313 0.05 . 1 . . . . 37 ALA HA . 6610 1 139 . 1 1 37 37 ALA C C 13 178.049 0.1 . 1 . . . . 37 ALA C . 6610 1 140 . 1 1 37 37 ALA CA C 13 52.461 0.1 . 1 . . . . 37 ALA CA . 6610 1 141 . 1 1 37 37 ALA CB C 13 19.68 0.1 . 1 . . . . 37 ALA CB . 6610 1 142 . 1 1 37 37 ALA N N 15 129.135 0.1 . 1 . . . . 37 ALA N . 6610 1 143 . 1 1 38 38 GLY H H 1 8.533 0.05 . 1 . . . . 38 GLY H . 6610 1 144 . 1 1 38 38 GLY HA2 H 1 3.95 0.05 . 1 . . . . 38 GLY HA . 6610 1 145 . 1 1 38 38 GLY HA3 H 1 3.95 0.05 . 1 . . . . 38 GLY HA . 6610 1 146 . 1 1 38 38 GLY CA C 13 46.346 0.1 . 1 . . . . 38 GLY CA . 6610 1 147 . 1 1 38 38 GLY N N 15 110.097 0.1 . 1 . . . . 38 GLY N . 6610 1 148 . 1 1 41 41 ASP HA H 1 4.782 0.05 . 1 . . . . 41 ASP HA . 6610 1 149 . 1 1 41 41 ASP C C 13 175.931 0.1 . 1 . . . . 41 ASP C . 6610 1 150 . 1 1 41 41 ASP CA C 13 53.9 0.1 . 1 . . . . 41 ASP CA . 6610 1 151 . 1 1 41 41 ASP CB C 13 40.285 0.1 . 1 . . . . 41 ASP CB . 6610 1 152 . 1 1 42 42 VAL H H 1 7.726 0.05 . 1 . . . . 42 VAL H . 6610 1 153 . 1 1 42 42 VAL HA H 1 4.652 0.05 . 1 . . . . 42 VAL HA . 6610 1 154 . 1 1 42 42 VAL CA C 13 59.483 0.1 . 1 . . . . 42 VAL CA . 6610 1 155 . 1 1 42 42 VAL N N 15 118.093 0.1 . 1 . . . . 42 VAL N . 6610 1 156 . 1 1 43 43 PRO C C 13 176.263 0.1 . 1 . . . . 43 PRO C . 6610 1 157 . 1 1 43 43 PRO CA C 13 63.293 0.1 . 1 . . . . 43 PRO CA . 6610 1 158 . 1 1 43 43 PRO CB C 13 32.911 0.1 . 1 . . . . 43 PRO CB . 6610 1 159 . 1 1 44 44 ASP H H 1 8.479 0.05 . 1 . . . . 44 ASP H . 6610 1 160 . 1 1 44 44 ASP C C 13 174.768 0.1 . 1 . . . . 44 ASP C . 6610 1 161 . 1 1 44 44 ASP CA C 13 54.116 0.1 . 1 . . . . 44 ASP CA . 6610 1 162 . 1 1 44 44 ASP CB C 13 42.288 0.1 . 1 . . . . 44 ASP CB . 6610 1 163 . 1 1 44 44 ASP N N 15 120.597 0.1 . 1 . . . . 44 ASP N . 6610 1 164 . 1 1 45 45 ILE H H 1 8.408 0.05 . 1 . . . . 45 ILE H . 6610 1 165 . 1 1 45 45 ILE HA H 1 4.504 0.05 . 1 . . . . 45 ILE HA . 6610 1 166 . 1 1 45 45 ILE C C 13 174.844 0.1 . 1 . . . . 45 ILE C . 6610 1 167 . 1 1 45 45 ILE CA C 13 60.713 0.1 . 1 . . . . 45 ILE CA . 6610 1 168 . 1 1 45 45 ILE CB C 13 40.75 0.1 . 1 . . . . 45 ILE CB . 6610 1 169 . 1 1 45 45 ILE N N 15 121.566 0.1 . 1 . . . . 45 ILE N . 6610 1 170 . 1 1 46 46 ASP H H 1 8.493 0.05 . 1 . . . . 46 ASP H . 6610 1 171 . 1 1 46 46 ASP HA H 1 4.48 0.05 . 1 . . . . 46 ASP HA . 6610 1 172 . 1 1 46 46 ASP C C 13 175.927 0.1 . 1 . . . . 46 ASP C . 6610 1 173 . 1 1 46 46 ASP CA C 13 55.492 0.1 . 1 . . . . 46 ASP CA . 6610 1 174 . 1 1 46 46 ASP CB C 13 40.633 0.1 . 1 . . . . 46 ASP CB . 6610 1 175 . 1 1 46 46 ASP N N 15 123.704 0.1 . 1 . . . . 46 ASP N . 6610 1 176 . 1 1 47 47 LYS H H 1 7.442 0.05 . 1 . . . . 47 LYS H . 6610 1 177 . 1 1 47 47 LYS HA H 1 4.431 0.05 . 1 . . . . 47 LYS HA . 6610 1 178 . 1 1 47 47 LYS CA C 13 56.067 0.1 . 1 . . . . 47 LYS CA . 6610 1 179 . 1 1 47 47 LYS N N 15 121.581 0.1 . 1 . . . . 47 LYS N . 6610 1 180 . 1 1 48 48 LYS C C 13 174.574 0.1 . 1 . . . . 48 LYS C . 6610 1 181 . 1 1 48 48 LYS CA C 13 56.809 0.1 . 1 . . . . 48 LYS CA . 6610 1 182 . 1 1 48 48 LYS CB C 13 34.929 0.1 . 1 . . . . 48 LYS CB . 6610 1 183 . 1 1 49 49 LYS H H 1 7.219 0.05 . 1 . . . . 49 LYS H . 6610 1 184 . 1 1 49 49 LYS HA H 1 5.027 0.05 . 1 . . . . 49 LYS HA . 6610 1 185 . 1 1 49 49 LYS C C 13 175.346 0.1 . 1 . . . . 49 LYS C . 6610 1 186 . 1 1 49 49 LYS CA C 13 55.456 0.1 . 1 . . . . 49 LYS CA . 6610 1 187 . 1 1 49 49 LYS CB C 13 34.017 0.1 . 1 . . . . 49 LYS CB . 6610 1 188 . 1 1 49 49 LYS N N 15 118.688 0.1 . 1 . . . . 49 LYS N . 6610 1 189 . 1 1 50 50 TYR H H 1 9.73 0.05 . 1 . . . . 50 TYR H . 6610 1 190 . 1 1 50 50 TYR HA H 1 5.022 0.05 . 1 . . . . 50 TYR HA . 6610 1 191 . 1 1 50 50 TYR C C 13 173.915 0.1 . 1 . . . . 50 TYR C . 6610 1 192 . 1 1 50 50 TYR CA C 13 57.184 0.1 . 1 . . . . 50 TYR CA . 6610 1 193 . 1 1 50 50 TYR N N 15 125.467 0.1 . 1 . . . . 50 TYR N . 6610 1 194 . 1 1 51 51 LEU H H 1 8.683 0.05 . 1 . . . . 51 LEU H . 6610 1 195 . 1 1 51 51 LEU HA H 1 4.839 0.05 . 1 . . . . 51 LEU HA . 6610 1 196 . 1 1 51 51 LEU C C 13 176.567 0.1 . 1 . . . . 51 LEU C . 6610 1 197 . 1 1 51 51 LEU CA C 13 53.551 0.1 . 1 . . . . 51 LEU CA . 6610 1 198 . 1 1 51 51 LEU CB C 13 41.765 0.1 . 1 . . . . 51 LEU CB . 6610 1 199 . 1 1 51 51 LEU N N 15 124.65 0.1 . 1 . . . . 51 LEU N . 6610 1 200 . 1 1 52 52 VAL H H 1 8.714 0.05 . 1 . . . . 52 VAL H . 6610 1 201 . 1 1 52 52 VAL HA H 1 4.594 0.05 . 1 . . . . 52 VAL HA . 6610 1 202 . 1 1 52 52 VAL CA C 13 59.8 0.1 . 1 . . . . 52 VAL CA . 6610 1 203 . 1 1 52 52 VAL N N 15 124.339 0.1 . 1 . . . . 52 VAL N . 6610 1 204 . 1 1 53 53 PRO C C 13 176.598 0.1 . 1 . . . . 53 PRO C . 6610 1 205 . 1 1 53 53 PRO CA C 13 64.166 0.1 . 1 . . . . 53 PRO CA . 6610 1 206 . 1 1 53 53 PRO CB C 13 32.364 0.1 . 1 . . . . 53 PRO CB . 6610 1 207 . 1 1 54 54 ALA H H 1 8.198 0.05 . 1 . . . . 54 ALA H . 6610 1 208 . 1 1 54 54 ALA HA H 1 4.342 0.05 . 1 . . . . 54 ALA HA . 6610 1 209 . 1 1 54 54 ALA C C 13 176.298 0.1 . 1 . . . . 54 ALA C . 6610 1 210 . 1 1 54 54 ALA CA C 13 54.605 0.1 . 1 . . . . 54 ALA CA . 6610 1 211 . 1 1 54 54 ALA CB C 13 19.174 0.1 . 1 . . . . 54 ALA CB . 6610 1 212 . 1 1 54 54 ALA N N 15 124.498 0.1 . 1 . . . . 54 ALA N . 6610 1 213 . 1 1 55 55 ASP H H 1 8.145 0.05 . 1 . . . . 55 ASP H . 6610 1 214 . 1 1 55 55 ASP HA H 1 4.678 0.05 . 1 . . . . 55 ASP HA . 6610 1 215 . 1 1 55 55 ASP C C 13 176.265 0.1 . 1 . . . . 55 ASP C . 6610 1 216 . 1 1 55 55 ASP CA C 13 52.881 0.1 . 1 . . . . 55 ASP CA . 6610 1 217 . 1 1 55 55 ASP CB C 13 40.052 0.1 . 1 . . . . 55 ASP CB . 6610 1 218 . 1 1 55 55 ASP N N 15 110.857 0.1 . 1 . . . . 55 ASP N . 6610 1 219 . 1 1 56 56 LEU H H 1 7.488 0.05 . 1 . . . . 56 LEU H . 6610 1 220 . 1 1 56 56 LEU HA H 1 4.391 0.05 . 1 . . . . 56 LEU HA . 6610 1 221 . 1 1 56 56 LEU C C 13 177.539 0.1 . 1 . . . . 56 LEU C . 6610 1 222 . 1 1 56 56 LEU CA C 13 55.621 0.1 . 1 . . . . 56 LEU CA . 6610 1 223 . 1 1 56 56 LEU CB C 13 43.487 0.1 . 1 . . . . 56 LEU CB . 6610 1 224 . 1 1 56 56 LEU N N 15 121.107 0.1 . 1 . . . . 56 LEU N . 6610 1 225 . 1 1 57 57 THR H H 1 8.36 0.05 . 1 . . . . 57 THR H . 6610 1 226 . 1 1 57 57 THR HA H 1 5.227 0.05 . 1 . . . . 57 THR HA . 6610 1 227 . 1 1 57 57 THR C C 13 176.742 0.1 . 1 . . . . 57 THR C . 6610 1 228 . 1 1 57 57 THR CA C 13 60.392 0.1 . 1 . . . . 57 THR CA . 6610 1 229 . 1 1 57 57 THR CB C 13 71.474 0.1 . 1 . . . . 57 THR CB . 6610 1 230 . 1 1 57 57 THR N N 15 113.081 0.1 . 1 . . . . 57 THR N . 6610 1 231 . 1 1 58 58 VAL H H 1 9.063 0.05 . 1 . . . . 58 VAL H . 6610 1 232 . 1 1 58 58 VAL HA H 1 3.755 0.05 . 1 . . . . 58 VAL HA . 6610 1 233 . 1 1 58 58 VAL C C 13 178.639 0.1 . 1 . . . . 58 VAL C . 6610 1 234 . 1 1 58 58 VAL CA C 13 66.719 0.1 . 1 . . . . 58 VAL CA . 6610 1 235 . 1 1 58 58 VAL CB C 13 31.726 0.1 . 1 . . . . 58 VAL CB . 6610 1 236 . 1 1 58 58 VAL N N 15 122.8 0.1 . 1 . . . . 58 VAL N . 6610 1 237 . 1 1 59 59 GLY H H 1 9.55 0.05 . 1 . . . . 59 GLY H . 6610 1 238 . 1 1 59 59 GLY HA2 H 1 3.707 0.05 . 1 . . . . 59 GLY HA . 6610 1 239 . 1 1 59 59 GLY HA3 H 1 3.707 0.05 . 1 . . . . 59 GLY HA . 6610 1 240 . 1 1 59 59 GLY C C 13 176.884 0.1 . 1 . . . . 59 GLY C . 6610 1 241 . 1 1 59 59 GLY CA C 13 47.441 0.1 . 1 . . . . 59 GLY CA . 6610 1 242 . 1 1 59 59 GLY N N 15 105.622 0.1 . 1 . . . . 59 GLY N . 6610 1 243 . 1 1 60 60 GLN H H 1 7.991 0.05 . 1 . . . . 60 GLN H . 6610 1 244 . 1 1 60 60 GLN HA H 1 4.137 0.05 . 1 . . . . 60 GLN HA . 6610 1 245 . 1 1 60 60 GLN C C 13 179.35 0.1 . 1 . . . . 60 GLN C . 6610 1 246 . 1 1 60 60 GLN CA C 13 58.72 0.1 . 1 . . . . 60 GLN CA . 6610 1 247 . 1 1 60 60 GLN CB C 13 29.535 0.1 . 1 . . . . 60 GLN CB . 6610 1 248 . 1 1 60 60 GLN N N 15 120.374 0.1 . 1 . . . . 60 GLN N . 6610 1 249 . 1 1 61 61 PHE H H 1 8.791 0.05 . 1 . . . . 61 PHE H . 6610 1 250 . 1 1 61 61 PHE HA H 1 4.332 0.05 . 1 . . . . 61 PHE HA . 6610 1 251 . 1 1 61 61 PHE C C 13 176.833 0.1 . 1 . . . . 61 PHE C . 6610 1 252 . 1 1 61 61 PHE CA C 13 61.137 0.1 . 1 . . . . 61 PHE CA . 6610 1 253 . 1 1 61 61 PHE CB C 13 39.175 0.1 . 1 . . . . 61 PHE CB . 6610 1 254 . 1 1 61 61 PHE N N 15 123.625 0.1 . 1 . . . . 61 PHE N . 6610 1 255 . 1 1 62 62 VAL H H 1 8.904 0.05 . 1 . . . . 62 VAL H . 6610 1 256 . 1 1 62 62 VAL HA H 1 2.963 0.05 . 1 . . . . 62 VAL HA . 6610 1 257 . 1 1 62 62 VAL C C 13 177.291 0.1 . 1 . . . . 62 VAL C . 6610 1 258 . 1 1 62 62 VAL CA C 13 67.538 0.1 . 1 . . . . 62 VAL CA . 6610 1 259 . 1 1 62 62 VAL CB C 13 31.114 0.1 . 1 . . . . 62 VAL CB . 6610 1 260 . 1 1 62 62 VAL N N 15 119.765 0.1 . 1 . . . . 62 VAL N . 6610 1 261 . 1 1 63 63 TYR H H 1 7.178 0.05 . 1 . . . . 63 TYR H . 6610 1 262 . 1 1 63 63 TYR HA H 1 4.011 0.05 . 1 . . . . 63 TYR HA . 6610 1 263 . 1 1 63 63 TYR C C 13 177.481 0.1 . 1 . . . . 63 TYR C . 6610 1 264 . 1 1 63 63 TYR CA C 13 62 0.1 . 1 . . . . 63 TYR CA . 6610 1 265 . 1 1 63 63 TYR CB C 13 37.943 0.1 . 1 . . . . 63 TYR CB . 6610 1 266 . 1 1 63 63 TYR N N 15 117.239 0.1 . 1 . . . . 63 TYR N . 6610 1 267 . 1 1 64 64 VAL H H 1 7.372 0.05 . 1 . . . . 64 VAL H . 6610 1 268 . 1 1 64 64 VAL HA H 1 3.478 0.05 . 1 . . . . 64 VAL HA . 6610 1 269 . 1 1 64 64 VAL C C 13 178.758 0.1 . 1 . . . . 64 VAL C . 6610 1 270 . 1 1 64 64 VAL CA C 13 66.73 0.1 . 1 . . . . 64 VAL CA . 6610 1 271 . 1 1 64 64 VAL CB C 13 31.175 0.1 . 1 . . . . 64 VAL CB . 6610 1 272 . 1 1 64 64 VAL N N 15 120.8 0.1 . 1 . . . . 64 VAL N . 6610 1 273 . 1 1 65 65 VAL H H 1 7.443 0.05 . 1 . . . . 65 VAL H . 6610 1 274 . 1 1 65 65 VAL HA H 1 3.179 0.05 . 1 . . . . 65 VAL HA . 6610 1 275 . 1 1 65 65 VAL C C 13 177.421 0.1 . 1 . . . . 65 VAL C . 6610 1 276 . 1 1 65 65 VAL CA C 13 66.446 0.1 . 1 . . . . 65 VAL CA . 6610 1 277 . 1 1 65 65 VAL CB C 13 31.453 0.1 . 1 . . . . 65 VAL CB . 6610 1 278 . 1 1 65 65 VAL N N 15 120.885 0.1 . 1 . . . . 65 VAL N . 6610 1 279 . 1 1 66 66 ARG H H 1 8.486 0.05 . 1 . . . . 66 ARG H . 6610 1 280 . 1 1 66 66 ARG HA H 1 3.393 0.05 . 1 . . . . 66 ARG HA . 6610 1 281 . 1 1 66 66 ARG C C 13 178.353 0.1 . 1 . . . . 66 ARG C . 6610 1 282 . 1 1 66 66 ARG CA C 13 60.091 0.1 . 1 . . . . 66 ARG CA . 6610 1 283 . 1 1 66 66 ARG CB C 13 30.685 0.1 . 1 . . . . 66 ARG CB . 6610 1 284 . 1 1 66 66 ARG N N 15 117.354 0.1 . 1 . . . . 66 ARG N . 6610 1 285 . 1 1 67 67 LYS H H 1 7.707 0.05 . 1 . . . . 67 LYS H . 6610 1 286 . 1 1 67 67 LYS HA H 1 4.01 0.05 . 1 . . . . 67 LYS HA . 6610 1 287 . 1 1 67 67 LYS C C 13 179.185 0.1 . 1 . . . . 67 LYS C . 6610 1 288 . 1 1 67 67 LYS CA C 13 58.468 0.1 . 1 . . . . 67 LYS CA . 6610 1 289 . 1 1 67 67 LYS CB C 13 32.211 0.1 . 1 . . . . 67 LYS CB . 6610 1 290 . 1 1 67 67 LYS N N 15 116.397 0.1 . 1 . . . . 67 LYS N . 6610 1 291 . 1 1 68 68 ARG H H 1 7.903 0.05 . 1 . . . . 68 ARG H . 6610 1 292 . 1 1 68 68 ARG HA H 1 4.17 0.05 . 1 . . . . 68 ARG HA . 6610 1 293 . 1 1 68 68 ARG C C 13 177.994 0.1 . 1 . . . . 68 ARG C . 6610 1 294 . 1 1 68 68 ARG CA C 13 57.931 0.1 . 1 . . . . 68 ARG CA . 6610 1 295 . 1 1 68 68 ARG CB C 13 29.842 0.1 . 1 . . . . 68 ARG CB . 6610 1 296 . 1 1 68 68 ARG N N 15 120.007 0.1 . 1 . . . . 68 ARG N . 6610 1 297 . 1 1 69 69 ILE H H 1 7.784 0.05 . 1 . . . . 69 ILE H . 6610 1 298 . 1 1 69 69 ILE HA H 1 4.289 0.05 . 1 . . . . 69 ILE HA . 6610 1 299 . 1 1 69 69 ILE C C 13 174.882 0.1 . 1 . . . . 69 ILE C . 6610 1 300 . 1 1 69 69 ILE CA C 13 61.633 0.1 . 1 . . . . 69 ILE CA . 6610 1 301 . 1 1 69 69 ILE CB C 13 38.401 0.1 . 1 . . . . 69 ILE CB . 6610 1 302 . 1 1 69 69 ILE N N 15 112.518 0.1 . 1 . . . . 69 ILE N . 6610 1 303 . 1 1 70 70 LYS H H 1 7.816 0.05 . 1 . . . . 70 LYS H . 6610 1 304 . 1 1 70 70 LYS HA H 1 3.903 0.05 . 1 . . . . 70 LYS HA . 6610 1 305 . 1 1 70 70 LYS C C 13 175.671 0.1 . 1 . . . . 70 LYS C . 6610 1 306 . 1 1 70 70 LYS CA C 13 56.955 0.1 . 1 . . . . 70 LYS CA . 6610 1 307 . 1 1 70 70 LYS CB C 13 29.313 0.1 . 1 . . . . 70 LYS CB . 6610 1 308 . 1 1 70 70 LYS N N 15 119.069 0.1 . 1 . . . . 70 LYS N . 6610 1 309 . 1 1 71 71 LEU H H 1 7.644 0.05 . 1 . . . . 71 LEU H . 6610 1 310 . 1 1 71 71 LEU HA H 1 4.323 0.05 . 1 . . . . 71 LEU HA . 6610 1 311 . 1 1 71 71 LEU C C 13 177.506 0.1 . 1 . . . . 71 LEU C . 6610 1 312 . 1 1 71 71 LEU CA C 13 54.673 0.1 . 1 . . . . 71 LEU CA . 6610 1 313 . 1 1 71 71 LEU CB C 13 44.417 0.1 . 1 . . . . 71 LEU CB . 6610 1 314 . 1 1 71 71 LEU N N 15 121.14 0.1 . 1 . . . . 71 LEU N . 6610 1 315 . 1 1 72 72 GLY H H 1 8.786 0.05 . 1 . . . . 72 GLY H . 6610 1 316 . 1 1 72 72 GLY HA2 H 1 3.991 0.05 . 1 . . . . 72 GLY HA . 6610 1 317 . 1 1 72 72 GLY HA3 H 1 3.991 0.05 . 1 . . . . 72 GLY HA . 6610 1 318 . 1 1 72 72 GLY C C 13 174.394 0.1 . 1 . . . . 72 GLY C . 6610 1 319 . 1 1 72 72 GLY CA C 13 45.594 0.1 . 1 . . . . 72 GLY CA . 6610 1 320 . 1 1 72 72 GLY N N 15 113.503 0.1 . 1 . . . . 72 GLY N . 6610 1 321 . 1 1 73 73 ALA H H 1 8.451 0.05 . 1 . . . . 73 ALA H . 6610 1 322 . 1 1 73 73 ALA HA H 1 3.998 0.05 . 1 . . . . 73 ALA HA . 6610 1 323 . 1 1 73 73 ALA C C 13 178.131 0.1 . 1 . . . . 73 ALA C . 6610 1 324 . 1 1 73 73 ALA CA C 13 54.592 0.1 . 1 . . . . 73 ALA CA . 6610 1 325 . 1 1 73 73 ALA CB C 13 19.292 0.1 . 1 . . . . 73 ALA CB . 6610 1 326 . 1 1 73 73 ALA N N 15 123.138 0.1 . 1 . . . . 73 ALA N . 6610 1 327 . 1 1 74 74 GLU H H 1 9.252 0.05 . 1 . . . . 74 GLU H . 6610 1 328 . 1 1 74 74 GLU HA H 1 4.529 0.05 . 1 . . . . 74 GLU HA . 6610 1 329 . 1 1 74 74 GLU C C 13 176.22 0.1 . 1 . . . . 74 GLU C . 6610 1 330 . 1 1 74 74 GLU CA C 13 57.085 0.1 . 1 . . . . 74 GLU CA . 6610 1 331 . 1 1 74 74 GLU CB C 13 28.784 0.1 . 1 . . . . 74 GLU CB . 6610 1 332 . 1 1 74 74 GLU N N 15 115.969 0.1 . 1 . . . . 74 GLU N . 6610 1 333 . 1 1 75 75 LYS H H 1 7.673 0.05 . 1 . . . . 75 LYS H . 6610 1 334 . 1 1 75 75 LYS HA H 1 4.5 0.05 . 1 . . . . 75 LYS HA . 6610 1 335 . 1 1 75 75 LYS C C 13 175.136 0.1 . 1 . . . . 75 LYS C . 6610 1 336 . 1 1 75 75 LYS CA C 13 54.817 0.1 . 1 . . . . 75 LYS CA . 6610 1 337 . 1 1 75 75 LYS CB C 13 33.479 0.1 . 1 . . . . 75 LYS CB . 6610 1 338 . 1 1 75 75 LYS N N 15 121.387 0.1 . 1 . . . . 75 LYS N . 6610 1 339 . 1 1 76 76 ALA H H 1 8.469 0.05 . 1 . . . . 76 ALA H . 6610 1 340 . 1 1 76 76 ALA HA H 1 4.197 0.05 . 1 . . . . 76 ALA HA . 6610 1 341 . 1 1 76 76 ALA C C 13 175.987 0.1 . 1 . . . . 76 ALA C . 6610 1 342 . 1 1 76 76 ALA CA C 13 52.154 0.1 . 1 . . . . 76 ALA CA . 6610 1 343 . 1 1 76 76 ALA CB C 13 20.714 0.1 . 1 . . . . 76 ALA CB . 6610 1 344 . 1 1 76 76 ALA N N 15 126.567 0.1 . 1 . . . . 76 ALA N . 6610 1 345 . 1 1 77 77 ILE H H 1 7.296 0.05 . 1 . . . . 77 ILE H . 6610 1 346 . 1 1 77 77 ILE HA H 1 4.729 0.05 . 1 . . . . 77 ILE HA . 6610 1 347 . 1 1 77 77 ILE C C 13 172.197 0.1 . 1 . . . . 77 ILE C . 6610 1 348 . 1 1 77 77 ILE CA C 13 59.273 0.1 . 1 . . . . 77 ILE CA . 6610 1 349 . 1 1 77 77 ILE CB C 13 41.744 0.1 . 1 . . . . 77 ILE CB . 6610 1 350 . 1 1 77 77 ILE N N 15 113.966 0.1 . 1 . . . . 77 ILE N . 6610 1 351 . 1 1 78 78 PHE H H 1 8.796 0.05 . 1 . . . . 78 PHE H . 6610 1 352 . 1 1 78 78 PHE HA H 1 4.468 0.05 . 1 . . . . 78 PHE HA . 6610 1 353 . 1 1 78 78 PHE C C 13 174.216 0.1 . 1 . . . . 78 PHE C . 6610 1 354 . 1 1 78 78 PHE CA C 13 56.895 0.1 . 1 . . . . 78 PHE CA . 6610 1 355 . 1 1 78 78 PHE CB C 13 42.377 0.1 . 1 . . . . 78 PHE CB . 6610 1 356 . 1 1 78 78 PHE N N 15 123.973 0.1 . 1 . . . . 78 PHE N . 6610 1 357 . 1 1 79 79 VAL H H 1 8.571 0.05 . 1 . . . . 79 VAL H . 6610 1 358 . 1 1 79 79 VAL HA H 1 5.298 0.05 . 1 . . . . 79 VAL HA . 6610 1 359 . 1 1 79 79 VAL C C 13 173.578 0.1 . 1 . . . . 79 VAL C . 6610 1 360 . 1 1 79 79 VAL CA C 13 60.162 0.1 . 1 . . . . 79 VAL CA . 6610 1 361 . 1 1 79 79 VAL CB C 13 33.864 0.1 . 1 . . . . 79 VAL CB . 6610 1 362 . 1 1 79 79 VAL N N 15 118.491 0.1 . 1 . . . . 79 VAL N . 6610 1 363 . 1 1 80 80 PHE H H 1 9.394 0.05 . 1 . . . . 80 PHE H . 6610 1 364 . 1 1 80 80 PHE HA H 1 5.297 0.05 . 1 . . . . 80 PHE HA . 6610 1 365 . 1 1 80 80 PHE C C 13 176.499 0.1 . 1 . . . . 80 PHE C . 6610 1 366 . 1 1 80 80 PHE CA C 13 56.563 0.1 . 1 . . . . 80 PHE CA . 6610 1 367 . 1 1 80 80 PHE CB C 13 42.781 0.1 . 1 . . . . 80 PHE CB . 6610 1 368 . 1 1 80 80 PHE N N 15 121.51 0.1 . 1 . . . . 80 PHE N . 6610 1 369 . 1 1 81 81 VAL H H 1 8.753 0.05 . 1 . . . . 81 VAL H . 6610 1 370 . 1 1 81 81 VAL HA H 1 4.593 0.05 . 1 . . . . 81 VAL HA . 6610 1 371 . 1 1 81 81 VAL C C 13 174.99 0.1 . 1 . . . . 81 VAL C . 6610 1 372 . 1 1 81 81 VAL CA C 13 60.702 0.1 . 1 . . . . 81 VAL CA . 6610 1 373 . 1 1 81 81 VAL CB C 13 34.657 0.1 . 1 . . . . 81 VAL CB . 6610 1 374 . 1 1 81 81 VAL N N 15 117.275 0.1 . 1 . . . . 81 VAL N . 6610 1 375 . 1 1 82 82 LYS H H 1 9.578 0.05 . 1 . . . . 82 LYS H . 6610 1 376 . 1 1 82 82 LYS CA C 13 58.23 0.1 . 1 . . . . 82 LYS CA . 6610 1 377 . 1 1 82 82 LYS N N 15 127.442 0.1 . 1 . . . . 82 LYS N . 6610 1 378 . 1 1 83 83 ASN C C 13 173.974 0.1 . 1 . . . . 83 ASN C . 6610 1 379 . 1 1 83 83 ASN CB C 13 37.756 0.1 . 1 . . . . 83 ASN CB . 6610 1 380 . 1 1 84 84 THR H H 1 8.317 0.05 . 1 . . . . 84 THR H . 6610 1 381 . 1 1 84 84 THR HA H 1 4.71 0.05 . 1 . . . . 84 THR HA . 6610 1 382 . 1 1 84 84 THR C C 13 172.093 0.1 . 1 . . . . 84 THR C . 6610 1 383 . 1 1 84 84 THR CA C 13 61.029 0.1 . 1 . . . . 84 THR CA . 6610 1 384 . 1 1 84 84 THR CB C 13 72.126 0.1 . 1 . . . . 84 THR CB . 6610 1 385 . 1 1 84 84 THR N N 15 113.352 0.1 . 1 . . . . 84 THR N . 6610 1 386 . 1 1 85 85 LEU H H 1 8.641 0.05 . 1 . . . . 85 LEU H . 6610 1 387 . 1 1 85 85 LEU HA H 1 5.032 0.05 . 1 . . . . 85 LEU HA . 6610 1 388 . 1 1 85 85 LEU CA C 13 51.768 0.1 . 1 . . . . 85 LEU CA . 6610 1 389 . 1 1 85 85 LEU N N 15 126.395 0.1 . 1 . . . . 85 LEU N . 6610 1 390 . 1 1 87 87 PRO C C 13 177.83 0.1 . 1 . . . . 87 PRO C . 6610 1 391 . 1 1 87 87 PRO CA C 13 62.456 0.1 . 1 . . . . 87 PRO CA . 6610 1 392 . 1 1 87 87 PRO CB C 13 32.077 0.1 . 1 . . . . 87 PRO CB . 6610 1 393 . 1 1 88 88 THR H H 1 8.383 0.05 . 1 . . . . 88 THR H . 6610 1 394 . 1 1 88 88 THR HA H 1 3.762 0.05 . 1 . . . . 88 THR HA . 6610 1 395 . 1 1 88 88 THR C C 13 175.823 0.1 . 1 . . . . 88 THR C . 6610 1 396 . 1 1 88 88 THR CA C 13 65.251 0.1 . 1 . . . . 88 THR CA . 6610 1 397 . 1 1 88 88 THR CB C 13 68.87 0.1 . 1 . . . . 88 THR CB . 6610 1 398 . 1 1 88 88 THR N N 15 114.27 0.1 . 1 . . . . 88 THR N . 6610 1 399 . 1 1 89 89 ALA H H 1 8.058 0.05 . 1 . . . . 89 ALA H . 6610 1 400 . 1 1 89 89 ALA HA H 1 4.429 0.05 . 1 . . . . 89 ALA HA . 6610 1 401 . 1 1 89 89 ALA C C 13 177.814 0.1 . 1 . . . . 89 ALA C . 6610 1 402 . 1 1 89 89 ALA CA C 13 52.283 0.1 . 1 . . . . 89 ALA CA . 6610 1 403 . 1 1 89 89 ALA CB C 13 19.571 0.1 . 1 . . . . 89 ALA CB . 6610 1 404 . 1 1 89 89 ALA N N 15 119.264 0.1 . 1 . . . . 89 ALA N . 6610 1 405 . 1 1 90 90 ALA H H 1 7.513 0.05 . 1 . . . . 90 ALA H . 6610 1 406 . 1 1 90 90 ALA HA H 1 4.222 0.05 . 1 . . . . 90 ALA HA . 6610 1 407 . 1 1 90 90 ALA C C 13 176.48 0.1 . 1 . . . . 90 ALA C . 6610 1 408 . 1 1 90 90 ALA CA C 13 52.471 0.1 . 1 . . . . 90 ALA CA . 6610 1 409 . 1 1 90 90 ALA CB C 13 19.345 0.1 . 1 . . . . 90 ALA CB . 6610 1 410 . 1 1 90 90 ALA N N 15 120.507 0.1 . 1 . . . . 90 ALA N . 6610 1 411 . 1 1 91 91 LEU H H 1 8.556 0.05 . 1 . . . . 91 LEU H . 6610 1 412 . 1 1 91 91 LEU HA H 1 4.575 0.05 . 1 . . . . 91 LEU HA . 6610 1 413 . 1 1 91 91 LEU C C 13 179.467 0.1 . 1 . . . . 91 LEU C . 6610 1 414 . 1 1 91 91 LEU CA C 13 54.615 0.1 . 1 . . . . 91 LEU CA . 6610 1 415 . 1 1 91 91 LEU CB C 13 42.826 0.1 . 1 . . . . 91 LEU CB . 6610 1 416 . 1 1 91 91 LEU N N 15 119.577 0.1 . 1 . . . . 91 LEU N . 6610 1 417 . 1 1 92 92 MET H H 1 9.305 0.05 . 1 . . . . 92 MET H . 6610 1 418 . 1 1 92 92 MET C C 13 179.052 0.1 . 1 . . . . 92 MET C . 6610 1 419 . 1 1 92 92 MET CA C 13 56.617 0.1 . 1 . . . . 92 MET CA . 6610 1 420 . 1 1 92 92 MET CB C 13 29.004 0.1 . 1 . . . . 92 MET CB . 6610 1 421 . 1 1 92 92 MET N N 15 121.613 0.1 . 1 . . . . 92 MET N . 6610 1 422 . 1 1 93 93 SER H H 1 8.724 0.05 . 1 . . . . 93 SER H . 6610 1 423 . 1 1 93 93 SER HA H 1 4.018 0.05 . 1 . . . . 93 SER HA . 6610 1 424 . 1 1 93 93 SER C C 13 176.249 0.1 . 1 . . . . 93 SER C . 6610 1 425 . 1 1 93 93 SER CA C 13 61.144 0.1 . 1 . . . . 93 SER CA . 6610 1 426 . 1 1 93 93 SER CB C 13 61.733 0.1 . 1 . . . . 93 SER CB . 6610 1 427 . 1 1 93 93 SER N N 15 112.882 0.1 . 1 . . . . 93 SER N . 6610 1 428 . 1 1 94 94 ALA H H 1 7.119 0.05 . 1 . . . . 94 ALA H . 6610 1 429 . 1 1 94 94 ALA HA H 1 4.405 0.05 . 1 . . . . 94 ALA HA . 6610 1 430 . 1 1 94 94 ALA C C 13 180.96 0.1 . 1 . . . . 94 ALA C . 6610 1 431 . 1 1 94 94 ALA CA C 13 54.8 0.1 . 1 . . . . 94 ALA CA . 6610 1 432 . 1 1 94 94 ALA CB C 13 18.77 0.1 . 1 . . . . 94 ALA CB . 6610 1 433 . 1 1 94 94 ALA N N 15 126.398 0.1 . 1 . . . . 94 ALA N . 6610 1 434 . 1 1 95 95 ILE H H 1 7.953 0.05 . 1 . . . . 95 ILE H . 6610 1 435 . 1 1 95 95 ILE HA H 1 4.102 0.05 . 1 . . . . 95 ILE HA . 6610 1 436 . 1 1 95 95 ILE C C 13 178.14 0.1 . 1 . . . . 95 ILE C . 6610 1 437 . 1 1 95 95 ILE CA C 13 62.662 0.1 . 1 . . . . 95 ILE CA . 6610 1 438 . 1 1 95 95 ILE CB C 13 36.289 0.1 . 1 . . . . 95 ILE CB . 6610 1 439 . 1 1 95 95 ILE N N 15 119.076 0.1 . 1 . . . . 95 ILE N . 6610 1 440 . 1 1 96 96 TYR H H 1 8.873 0.05 . 1 . . . . 96 TYR H . 6610 1 441 . 1 1 96 96 TYR C C 13 176.1 0.1 . 1 . . . . 96 TYR C . 6610 1 442 . 1 1 96 96 TYR CA C 13 62.614 0.1 . 1 . . . . 96 TYR CA . 6610 1 443 . 1 1 96 96 TYR CB C 13 39.269 0.1 . 1 . . . . 96 TYR CB . 6610 1 444 . 1 1 96 96 TYR N N 15 120.583 0.1 . 1 . . . . 96 TYR N . 6610 1 445 . 1 1 97 97 GLU H H 1 7.937 0.05 . 1 . . . . 97 GLU H . 6610 1 446 . 1 1 97 97 GLU HA H 1 3.877 0.05 . 1 . . . . 97 GLU HA . 6610 1 447 . 1 1 97 97 GLU C C 13 177.834 0.1 . 1 . . . . 97 GLU C . 6610 1 448 . 1 1 97 97 GLU CA C 13 59.17 0.1 . 1 . . . . 97 GLU CA . 6610 1 449 . 1 1 97 97 GLU CB C 13 29.534 0.1 . 1 . . . . 97 GLU CB . 6610 1 450 . 1 1 97 97 GLU N N 15 115.708 0.1 . 1 . . . . 97 GLU N . 6610 1 451 . 1 1 98 98 GLU H H 1 7.263 0.05 . 1 . . . . 98 GLU H . 6610 1 452 . 1 1 98 98 GLU HA H 1 4.09 0.05 . 1 . . . . 98 GLU HA . 6610 1 453 . 1 1 98 98 GLU C C 13 178.417 0.1 . 1 . . . . 98 GLU C . 6610 1 454 . 1 1 98 98 GLU CA C 13 58.305 0.1 . 1 . . . . 98 GLU CA . 6610 1 455 . 1 1 98 98 GLU CB C 13 31.547 0.1 . 1 . . . . 98 GLU CB . 6610 1 456 . 1 1 98 98 GLU N N 15 114.633 0.1 . 1 . . . . 98 GLU N . 6610 1 457 . 1 1 99 99 HIS H H 1 8.331 0.05 . 1 . . . . 99 HIS H . 6610 1 458 . 1 1 99 99 HIS HA H 1 4.871 0.05 . 1 . . . . 99 HIS HA . 6610 1 459 . 1 1 99 99 HIS C C 13 176.036 0.1 . 1 . . . . 99 HIS C . 6610 1 460 . 1 1 99 99 HIS CA C 13 56.882 0.1 . 1 . . . . 99 HIS CA . 6610 1 461 . 1 1 99 99 HIS CB C 13 33.496 0.1 . 1 . . . . 99 HIS CB . 6610 1 462 . 1 1 99 99 HIS N N 15 113.326 0.1 . 1 . . . . 99 HIS N . 6610 1 463 . 1 1 100 100 LYS H H 1 8.214 0.05 . 1 . . . . 100 LYS H . 6610 1 464 . 1 1 100 100 LYS HA H 1 4.305 0.05 . 1 . . . . 100 LYS HA . 6610 1 465 . 1 1 100 100 LYS C C 13 174.857 0.1 . 1 . . . . 100 LYS C . 6610 1 466 . 1 1 100 100 LYS CA C 13 57.746 0.1 . 1 . . . . 100 LYS CA . 6610 1 467 . 1 1 100 100 LYS CB C 13 31.777 0.1 . 1 . . . . 100 LYS CB . 6610 1 468 . 1 1 100 100 LYS N N 15 120.579 0.1 . 1 . . . . 100 LYS N . 6610 1 469 . 1 1 101 101 ASP H H 1 8.994 0.05 . 1 . . . . 101 ASP H . 6610 1 470 . 1 1 101 101 ASP HA H 1 4.715 0.05 . 1 . . . . 101 ASP HA . 6610 1 471 . 1 1 101 101 ASP C C 13 177.413 0.1 . 1 . . . . 101 ASP C . 6610 1 472 . 1 1 101 101 ASP CA C 13 54.25 0.1 . 1 . . . . 101 ASP CA . 6610 1 473 . 1 1 101 101 ASP N N 15 124.28 0.1 . 1 . . . . 101 ASP N . 6610 1 474 . 1 1 102 102 GLU H H 1 8.858 0.05 . 1 . . . . 102 GLU H . 6610 1 475 . 1 1 102 102 GLU HA H 1 4.192 0.05 . 1 . . . . 102 GLU HA . 6610 1 476 . 1 1 102 102 GLU C C 13 177.224 0.1 . 1 . . . . 102 GLU C . 6610 1 477 . 1 1 102 102 GLU CA C 13 59.289 0.1 . 1 . . . . 102 GLU CA . 6610 1 478 . 1 1 102 102 GLU N N 15 125.785 0.1 . 1 . . . . 102 GLU N . 6610 1 479 . 1 1 103 103 ASP H H 1 10.029 0.05 . 1 . . . . 103 ASP H . 6610 1 480 . 1 1 103 103 ASP C C 13 176.984 0.1 . 1 . . . . 103 ASP C . 6610 1 481 . 1 1 103 103 ASP CA C 13 54.318 0.1 . 1 . . . . 103 ASP CA . 6610 1 482 . 1 1 103 103 ASP CB C 13 40.831 0.1 . 1 . . . . 103 ASP CB . 6610 1 483 . 1 1 103 103 ASP N N 15 119.569 0.1 . 1 . . . . 103 ASP N . 6610 1 484 . 1 1 104 104 GLY H H 1 8.206 0.05 . 1 . . . . 104 GLY H . 6610 1 485 . 1 1 104 104 GLY HA2 H 1 4.414 0.05 . 1 . . . . 104 GLY HA . 6610 1 486 . 1 1 104 104 GLY HA3 H 1 4.414 0.05 . 1 . . . . 104 GLY HA . 6610 1 487 . 1 1 104 104 GLY C C 13 174.83 0.1 . 1 . . . . 104 GLY C . 6610 1 488 . 1 1 104 104 GLY CA C 13 45.449 0.1 . 1 . . . . 104 GLY CA . 6610 1 489 . 1 1 104 104 GLY N N 15 106.431 0.1 . 1 . . . . 104 GLY N . 6610 1 490 . 1 1 105 105 PHE H H 1 9.677 0.05 . 1 . . . . 105 PHE H . 6610 1 491 . 1 1 105 105 PHE C C 13 174.843 0.1 . 1 . . . . 105 PHE C . 6610 1 492 . 1 1 105 105 PHE CA C 13 59.396 0.1 . 1 . . . . 105 PHE CA . 6610 1 493 . 1 1 105 105 PHE CB C 13 39.996 0.1 . 1 . . . . 105 PHE CB . 6610 1 494 . 1 1 105 105 PHE N N 15 122.133 0.1 . 1 . . . . 105 PHE N . 6610 1 495 . 1 1 106 106 LEU H H 1 8.301 0.05 . 1 . . . . 106 LEU H . 6610 1 496 . 1 1 106 106 LEU HA H 1 4.959 0.05 . 1 . . . . 106 LEU HA . 6610 1 497 . 1 1 106 106 LEU C C 13 173.75 0.1 . 1 . . . . 106 LEU C . 6610 1 498 . 1 1 106 106 LEU CA C 13 53.456 0.1 . 1 . . . . 106 LEU CA . 6610 1 499 . 1 1 106 106 LEU CB C 13 45.487 0.1 . 1 . . . . 106 LEU CB . 6610 1 500 . 1 1 106 106 LEU N N 15 120.326 0.1 . 1 . . . . 106 LEU N . 6610 1 501 . 1 1 107 107 TYR H H 1 9.089 0.05 . 1 . . . . 107 TYR H . 6610 1 502 . 1 1 107 107 TYR HA H 1 5.035 0.05 . 1 . . . . 107 TYR HA . 6610 1 503 . 1 1 107 107 TYR C C 13 176.299 0.1 . 1 . . . . 107 TYR C . 6610 1 504 . 1 1 107 107 TYR CA C 13 58.682 0.1 . 1 . . . . 107 TYR CA . 6610 1 505 . 1 1 107 107 TYR CB C 13 38.736 0.1 . 1 . . . . 107 TYR CB . 6610 1 506 . 1 1 107 107 TYR N N 15 126.839 0.1 . 1 . . . . 107 TYR N . 6610 1 507 . 1 1 108 108 MET H H 1 9.684 0.05 . 1 . . . . 108 MET H . 6610 1 508 . 1 1 108 108 MET HA H 1 5.552 0.05 . 1 . . . . 108 MET HA . 6610 1 509 . 1 1 108 108 MET C C 13 176.058 0.1 . 1 . . . . 108 MET C . 6610 1 510 . 1 1 108 108 MET CA C 13 54.541 0.1 . 1 . . . . 108 MET CA . 6610 1 511 . 1 1 108 108 MET CB C 13 38.816 0.1 . 1 . . . . 108 MET CB . 6610 1 512 . 1 1 108 108 MET N N 15 122.622 0.1 . 1 . . . . 108 MET N . 6610 1 513 . 1 1 109 109 THR H H 1 8.974 0.05 . 1 . . . . 109 THR H . 6610 1 514 . 1 1 109 109 THR HA H 1 6.29 0.05 . 1 . . . . 109 THR HA . 6610 1 515 . 1 1 109 109 THR C C 13 174.242 0.1 . 1 . . . . 109 THR C . 6610 1 516 . 1 1 109 109 THR CA C 13 59.405 0.1 . 1 . . . . 109 THR CA . 6610 1 517 . 1 1 109 109 THR CB C 13 73.003 0.1 . 1 . . . . 109 THR CB . 6610 1 518 . 1 1 109 109 THR N N 15 113.903 0.1 . 1 . . . . 109 THR N . 6610 1 519 . 1 1 110 110 TYR H H 1 8.325 0.05 . 1 . . . . 110 TYR H . 6610 1 520 . 1 1 110 110 TYR HA H 1 6.466 0.05 . 1 . . . . 110 TYR HA . 6610 1 521 . 1 1 110 110 TYR C C 13 173.163 0.1 . 1 . . . . 110 TYR C . 6610 1 522 . 1 1 110 110 TYR CA C 13 55.203 0.1 . 1 . . . . 110 TYR CA . 6610 1 523 . 1 1 110 110 TYR CB C 13 42.949 0.1 . 1 . . . . 110 TYR CB . 6610 1 524 . 1 1 110 110 TYR N N 15 116.127 0.1 . 1 . . . . 110 TYR N . 6610 1 525 . 1 1 111 111 SER H H 1 9.18 0.05 . 1 . . . . 111 SER H . 6610 1 526 . 1 1 111 111 SER HA H 1 4.775 0.05 . 1 . . . . 111 SER HA . 6610 1 527 . 1 1 111 111 SER C C 13 173.679 0.1 . 1 . . . . 111 SER C . 6610 1 528 . 1 1 111 111 SER CA C 13 56.329 0.1 . 1 . . . . 111 SER CA . 6610 1 529 . 1 1 111 111 SER CB C 13 66.058 0.1 . 1 . . . . 111 SER CB . 6610 1 530 . 1 1 111 111 SER N N 15 112.555 0.1 . 1 . . . . 111 SER N . 6610 1 531 . 1 1 112 112 GLY H H 1 8.567 0.05 . 1 . . . . 112 GLY H . 6610 1 532 . 1 1 112 112 GLY HA2 H 1 3.95 0.05 . 1 . . . . 112 GLY HA . 6610 1 533 . 1 1 112 112 GLY HA3 H 1 3.95 0.05 . 1 . . . . 112 GLY HA . 6610 1 534 . 1 1 112 112 GLY C C 13 173.212 0.1 . 1 . . . . 112 GLY C . 6610 1 535 . 1 1 112 112 GLY CA C 13 45.403 0.1 . 1 . . . . 112 GLY CA . 6610 1 536 . 1 1 112 112 GLY N N 15 110.479 0.1 . 1 . . . . 112 GLY N . 6610 1 537 . 1 1 113 113 GLU H H 1 8.446 0.05 . 1 . . . . 113 GLU H . 6610 1 538 . 1 1 113 113 GLU HA H 1 4.672 0.05 . 1 . . . . 113 GLU HA . 6610 1 539 . 1 1 113 113 GLU C C 13 174.601 0.1 . 1 . . . . 113 GLU C . 6610 1 540 . 1 1 113 113 GLU CA C 13 55.4 0.1 . 1 . . . . 113 GLU CA . 6610 1 541 . 1 1 113 113 GLU CB C 13 32.92 0.1 . 1 . . . . 113 GLU CB . 6610 1 542 . 1 1 113 113 GLU N N 15 118.558 0.1 . 1 . . . . 113 GLU N . 6610 1 543 . 1 1 114 114 ASN H H 1 8.33 0.05 . 1 . . . . 114 ASN H . 6610 1 544 . 1 1 114 114 ASN HA H 1 4.261 0.05 . 1 . . . . 114 ASN HA . 6610 1 545 . 1 1 114 114 ASN C C 13 175.169 0.1 . 1 . . . . 114 ASN C . 6610 1 546 . 1 1 114 114 ASN CA C 13 52.116 0.1 . 1 . . . . 114 ASN CA . 6610 1 547 . 1 1 114 114 ASN CB C 13 37.081 0.1 . 1 . . . . 114 ASN CB . 6610 1 548 . 1 1 114 114 ASN N N 15 118.543 0.1 . 1 . . . . 114 ASN N . 6610 1 549 . 1 1 115 115 THR H H 1 7.574 0.05 . 1 . . . . 115 THR H . 6610 1 550 . 1 1 115 115 THR HA H 1 4.194 0.05 . 1 . . . . 115 THR HA . 6610 1 551 . 1 1 115 115 THR C C 13 173.705 0.1 . 1 . . . . 115 THR C . 6610 1 552 . 1 1 115 115 THR CA C 13 61.586 0.1 . 1 . . . . 115 THR CA . 6610 1 553 . 1 1 115 115 THR CB C 13 69.835 0.1 . 1 . . . . 115 THR CB . 6610 1 554 . 1 1 115 115 THR N N 15 113.627 0.1 . 1 . . . . 115 THR N . 6610 1 555 . 1 1 116 116 PHE H H 1 7.979 0.05 . 1 . . . . 116 PHE H . 6610 1 556 . 1 1 116 116 PHE HA H 1 4.502 0.05 . 1 . . . . 116 PHE HA . 6610 1 557 . 1 1 116 116 PHE C C 13 174.969 0.1 . 1 . . . . 116 PHE C . 6610 1 558 . 1 1 116 116 PHE CA C 13 57.758 0.1 . 1 . . . . 116 PHE CA . 6610 1 559 . 1 1 116 116 PHE CB C 13 39.685 0.1 . 1 . . . . 116 PHE CB . 6610 1 560 . 1 1 116 116 PHE N N 15 121.346 0.1 . 1 . . . . 116 PHE N . 6610 1 561 . 1 1 117 117 GLY H H 1 7.718 0.05 . 1 . . . . 117 GLY H . 6610 1 562 . 1 1 117 117 GLY HA2 H 1 3.666 0.05 . 1 . . . . 117 GLY HA . 6610 1 563 . 1 1 117 117 GLY HA3 H 1 3.666 0.05 . 1 . . . . 117 GLY HA . 6610 1 564 . 1 1 117 117 GLY CA C 13 46.285 0.1 . 1 . . . . 117 GLY CA . 6610 1 565 . 1 1 117 117 GLY N N 15 116.324 0.1 . 1 . . . . 117 GLY N . 6610 1 stop_ save_