data_15487 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15487 _Entry.Title ; Segmental Isotope Labeling of Npl3p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-25 _Entry.Accession_date 2007-09-25 _Entry.Last_release_date 2008-06-26 _Entry.Original_release_date 2008-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lenka Skrisovska . . . 15487 2 Frederic Allain . H-T. . 15487 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'ETH Zurich, Allain group' . 15487 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15487 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 230 15487 '15N chemical shifts' 82 15487 '1H chemical shifts' 501 15487 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-26 2007-09-25 original author . 15487 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15485 'Npl3p RRM1' 15487 PDB 2JVR 'BMRB Entry Tracking System' 15487 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15487 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17936301 _Citation.Full_citation . _Citation.Title 'Improved segmental isotope labeling methods for the NMR study of multidomain or large proteins: application to the RRMs of Npl3p and hnRNP L' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 375 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 151 _Citation.Page_last 164 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lenka Skrisovska . . . 15487 1 2 Frederic Allain . H-T. . 15487 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EPL 15487 1 NMR 15487 1 'Segmental labeling' 15487 1 'Structural Biology' 15487 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15487 _Assembly.ID 1 _Assembly.Name 'Npl3p RRM2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Npl3p RRM2' 1 $Npl3p_RRM2 A . yes native no no . . . 15487 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA binding protein' 15487 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Npl3p_RRM2 _Entity.Sf_category entity _Entity.Sf_framecode Npl3p_RRM2 _Entity.Entry_ID 15487 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Npl3p_RRM2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSKLPAKRYRITMKNLPEGC SWQDLKDLARENSLETTFSS VNTRDFDGTGALEFPSEEIL VEALERLNNIEFRGSVITVE RDDNPPPIRRS ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'RNA recognition motif 2 of Npl3p' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12545 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JVR . "Segmental Isotope Labeling Of Npl3p" . . . . . 100.00 111 100.00 100.00 5.98e-75 . . . . 15487 1 2 no PDB 2OSR . "Nmr Structure Of Rrm-2 Of Yeast Npl3 Protein" . . . . . 78.38 87 100.00 100.00 4.81e-56 . . . . 15487 1 3 no DBJ GAA22648 . "K7_Npl3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 81.98 414 98.90 98.90 2.16e-55 . . . . 15487 1 4 no EMBL CAA46817 . "nucleolar protein [Saccharomyces cerevisiae]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 5 no EMBL CAA50291 . "Mts1p [Saccharomyces cerevisiae]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 6 no EMBL CAY78932 . "Npl3p [Saccharomyces cerevisiae EC1118]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 7 no GB AAA34818 . "Npl3p [Saccharomyces cerevisiae]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 8 no GB AAB64865 . "Npl3p: nucleolar RNA processing and export protein [Saccharomyces cerevisiae]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 9 no GB AHY75384 . "Npl3p [Saccharomyces cerevisiae YJM993]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 10 no GB AJP38110 . "Npl3p [Saccharomyces cerevisiae YJM1078]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 11 no GB AJU58232 . "Npl3p [Saccharomyces cerevisiae YJM189]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 12 no REF NP_010720 . "mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 13 no SP Q01560 . "RecName: Full=Nucleolar protein 3; AltName: Full=Mitochondrial targeting suppressor 1 protein; AltName: Full=Nuclear polyadenyl" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 14 no TPG DAA12270 . "TPA: mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" . . . . . 81.98 414 98.90 98.90 2.20e-55 . . . . 15487 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding protein' 15487 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 . 15487 1 2 . GLY . 15487 1 3 . SER . 15487 1 4 . SER . 15487 1 5 . HIS . 15487 1 6 . HIS . 15487 1 7 . HIS . 15487 1 8 . HIS . 15487 1 9 . HIS . 15487 1 10 . HIS . 15487 1 11 . SER . 15487 1 12 . SER . 15487 1 13 . GLY . 15487 1 14 . LEU . 15487 1 15 . VAL . 15487 1 16 . PRO . 15487 1 17 . ARG . 15487 1 18 . GLY . 15487 1 19 . SER . 15487 1 20 . HIS . 15487 1 21 . MET . 15487 1 22 . SER . 15487 1 23 . LYS . 15487 1 24 . LEU . 15487 1 25 . PRO . 15487 1 26 . ALA . 15487 1 27 . LYS . 15487 1 28 . ARG . 15487 1 29 . TYR . 15487 1 30 . ARG . 15487 1 31 . ILE . 15487 1 32 . THR . 15487 1 33 . MET . 15487 1 34 . LYS . 15487 1 35 . ASN . 15487 1 36 . LEU . 15487 1 37 . PRO . 15487 1 38 . GLU . 15487 1 39 . GLY . 15487 1 40 . CYS . 15487 1 41 . SER . 15487 1 42 . TRP . 15487 1 43 . GLN . 15487 1 44 . ASP . 15487 1 45 . LEU . 15487 1 46 . LYS . 15487 1 47 . ASP . 15487 1 48 . LEU . 15487 1 49 . ALA . 15487 1 50 . ARG . 15487 1 51 . GLU . 15487 1 52 . ASN . 15487 1 53 . SER . 15487 1 54 . LEU . 15487 1 55 . GLU . 15487 1 56 . THR . 15487 1 57 . THR . 15487 1 58 . PHE . 15487 1 59 . SER . 15487 1 60 . SER . 15487 1 61 . VAL . 15487 1 62 . ASN . 15487 1 63 . THR . 15487 1 64 . ARG . 15487 1 65 . ASP . 15487 1 66 . PHE . 15487 1 67 . ASP . 15487 1 68 . GLY . 15487 1 69 . THR . 15487 1 70 . GLY . 15487 1 71 . ALA . 15487 1 72 . LEU . 15487 1 73 . GLU . 15487 1 74 . PHE . 15487 1 75 . PRO . 15487 1 76 . SER . 15487 1 77 . GLU . 15487 1 78 . GLU . 15487 1 79 . ILE . 15487 1 80 . LEU . 15487 1 81 . VAL . 15487 1 82 . GLU . 15487 1 83 . ALA . 15487 1 84 . LEU . 15487 1 85 . GLU . 15487 1 86 . ARG . 15487 1 87 . LEU . 15487 1 88 . ASN . 15487 1 89 . ASN . 15487 1 90 . ILE . 15487 1 91 . GLU . 15487 1 92 . PHE . 15487 1 93 . ARG . 15487 1 94 . GLY . 15487 1 95 . SER . 15487 1 96 . VAL . 15487 1 97 . ILE . 15487 1 98 . THR . 15487 1 99 . VAL . 15487 1 100 . GLU . 15487 1 101 . ARG . 15487 1 102 . ASP . 15487 1 103 . ASP . 15487 1 104 . ASN . 15487 1 105 . PRO . 15487 1 106 . PRO . 15487 1 107 . PRO . 15487 1 108 . ILE . 15487 1 109 . ARG . 15487 1 110 . ARG . 15487 1 111 . SER . 15487 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 15487 1 . GLY 2 2 15487 1 . SER 3 3 15487 1 . SER 4 4 15487 1 . HIS 5 5 15487 1 . HIS 6 6 15487 1 . HIS 7 7 15487 1 . HIS 8 8 15487 1 . HIS 9 9 15487 1 . HIS 10 10 15487 1 . SER 11 11 15487 1 . SER 12 12 15487 1 . GLY 13 13 15487 1 . LEU 14 14 15487 1 . VAL 15 15 15487 1 . PRO 16 16 15487 1 . ARG 17 17 15487 1 . GLY 18 18 15487 1 . SER 19 19 15487 1 . HIS 20 20 15487 1 . MET 21 21 15487 1 . SER 22 22 15487 1 . LYS 23 23 15487 1 . LEU 24 24 15487 1 . PRO 25 25 15487 1 . ALA 26 26 15487 1 . LYS 27 27 15487 1 . ARG 28 28 15487 1 . TYR 29 29 15487 1 . ARG 30 30 15487 1 . ILE 31 31 15487 1 . THR 32 32 15487 1 . MET 33 33 15487 1 . LYS 34 34 15487 1 . ASN 35 35 15487 1 . LEU 36 36 15487 1 . PRO 37 37 15487 1 . GLU 38 38 15487 1 . GLY 39 39 15487 1 . CYS 40 40 15487 1 . SER 41 41 15487 1 . TRP 42 42 15487 1 . GLN 43 43 15487 1 . ASP 44 44 15487 1 . LEU 45 45 15487 1 . LYS 46 46 15487 1 . ASP 47 47 15487 1 . LEU 48 48 15487 1 . ALA 49 49 15487 1 . ARG 50 50 15487 1 . GLU 51 51 15487 1 . ASN 52 52 15487 1 . SER 53 53 15487 1 . LEU 54 54 15487 1 . GLU 55 55 15487 1 . THR 56 56 15487 1 . THR 57 57 15487 1 . PHE 58 58 15487 1 . SER 59 59 15487 1 . SER 60 60 15487 1 . VAL 61 61 15487 1 . ASN 62 62 15487 1 . THR 63 63 15487 1 . ARG 64 64 15487 1 . ASP 65 65 15487 1 . PHE 66 66 15487 1 . ASP 67 67 15487 1 . GLY 68 68 15487 1 . THR 69 69 15487 1 . GLY 70 70 15487 1 . ALA 71 71 15487 1 . LEU 72 72 15487 1 . GLU 73 73 15487 1 . PHE 74 74 15487 1 . PRO 75 75 15487 1 . SER 76 76 15487 1 . GLU 77 77 15487 1 . GLU 78 78 15487 1 . ILE 79 79 15487 1 . LEU 80 80 15487 1 . VAL 81 81 15487 1 . GLU 82 82 15487 1 . ALA 83 83 15487 1 . LEU 84 84 15487 1 . GLU 85 85 15487 1 . ARG 86 86 15487 1 . LEU 87 87 15487 1 . ASN 88 88 15487 1 . ASN 89 89 15487 1 . ILE 90 90 15487 1 . GLU 91 91 15487 1 . PHE 92 92 15487 1 . ARG 93 93 15487 1 . GLY 94 94 15487 1 . SER 95 95 15487 1 . VAL 96 96 15487 1 . ILE 97 97 15487 1 . THR 98 98 15487 1 . VAL 99 99 15487 1 . GLU 100 100 15487 1 . ARG 101 101 15487 1 . ASP 102 102 15487 1 . ASP 103 103 15487 1 . ASN 104 104 15487 1 . PRO 105 105 15487 1 . PRO 106 106 15487 1 . PRO 107 107 15487 1 . ILE 108 108 15487 1 . ARG 109 109 15487 1 . ARG 110 110 15487 1 . SER 111 111 15487 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 15487 _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 $Npl3p_RRM2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 15487 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 15487 _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 $Npl3p_RRM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 codon+ RIL' . . . . . . . . . . . . . . . pET28a+ . . . . . . 15487 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15487 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Npl3p RRM2' '[U-13C; U-15N]' . . 1 $Npl3p_RRM2 . . 1 . . mM . . . . 15487 1 2 H2O . . . . . . . 90 . . % . . . . 15487 1 3 D2O . . . . . . . 10 . . % . . . . 15487 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15487 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Npl3p RRM2' '[U-13C; U-15N]' . . 1 $Npl3p_RRM2 . . 1 . . mM . . . . 15487 2 2 D2O . . . . . . . 10 . . % . . . . 15487 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15487 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Npl3p RRM2' [U-15N] . . 1 $Npl3p_RRM2 . . 1 . . mM . . . . 15487 3 2 H2O . . . . . . . 90 . . % . . . . 15487 3 3 D2O . . . . . . . 10 . . % . . . . 15487 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15487 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 15487 1 pH 7 . pH 15487 1 pressure 1 . atm 15487 1 temperature 303 . K 15487 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15487 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15487 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15487 1 processing 15487 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15487 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15487 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15487 2 stop_ save_ save_ATNOS_CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS_CANDID _Software.Entry_ID 15487 _Software.ID 3 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann 2005' 'ETH Zurich' . 15487 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated NOE assignment' 15487 3 'automated peak picking' 15487 3 'structure calculation' 15487 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15487 _Software.ID 4 _Software.Name AMBER _Software.Version 7.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15487 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15487 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15487 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15487 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15487 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15487 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 'equipped with cryoprobe' . . 15487 1 2 spectrometer_2 Bruker DRX . 600 . . . 15487 1 3 spectrometer_3 Bruker Avance . 900 . . . 15487 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15487 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15487 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15487 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15487 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15487 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15487 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15487 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15487 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15487 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15487 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15487 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15487 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15487 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 15487 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15487 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15487 1 2 '2D 1H-13C HSQC' . . . 15487 1 7 '3D 1H-15N NOESY' . . . 15487 1 8 '3D 1H-13C NOESY' . . . 15487 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 15487 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 25 25 PRO HA H 1 4.307 0.012 . . . . . . 25 P HA . 15487 1 2 . 1 1 25 25 PRO HB2 H 1 1.708 0.004 . . . . . . 25 P HB2 . 15487 1 3 . 1 1 25 25 PRO HB3 H 1 2.160 0.002 . . . . . . 25 P HB3 . 15487 1 4 . 1 1 25 25 PRO HD2 H 1 3.181 0.013 . . . . . . 25 P QD . 15487 1 5 . 1 1 25 25 PRO HD3 H 1 3.181 0.013 . . . . . . 25 P QD . 15487 1 6 . 1 1 25 25 PRO HG2 H 1 1.793 0.004 . . . . . . 25 P QG . 15487 1 7 . 1 1 25 25 PRO HG3 H 1 1.793 0.004 . . . . . . 25 P QG . 15487 1 8 . 1 1 25 25 PRO CA C 13 60.309 0.000 . . . . . . 25 P CA . 15487 1 9 . 1 1 25 25 PRO CB C 13 29.455 0.103 . . . . . . 25 P CB . 15487 1 10 . 1 1 25 25 PRO CD C 13 47.550 0.000 . . . . . . 25 P CD . 15487 1 11 . 1 1 25 25 PRO CG C 13 27.690 0.185 . . . . . . 25 P CG . 15487 1 12 . 1 1 26 26 ALA H H 1 8.192 0.042 . . . . . . 26 A HN . 15487 1 13 . 1 1 26 26 ALA HA H 1 4.200 0.001 . . . . . . 26 A HA . 15487 1 14 . 1 1 26 26 ALA HB1 H 1 1.285 0.004 . . . . . . 26 A QB . 15487 1 15 . 1 1 26 26 ALA HB2 H 1 1.285 0.004 . . . . . . 26 A QB . 15487 1 16 . 1 1 26 26 ALA HB3 H 1 1.285 0.004 . . . . . . 26 A QB . 15487 1 17 . 1 1 26 26 ALA CA C 13 49.625 0.000 . . . . . . 26 A CA . 15487 1 18 . 1 1 26 26 ALA CB C 13 16.767 0.031 . . . . . . 26 A CB . 15487 1 19 . 1 1 26 26 ALA N N 15 124.011 0.028 . . . . . . 26 A N . 15487 1 20 . 1 1 27 27 LYS H H 1 7.967 0.003 . . . . . . 27 K HN . 15487 1 21 . 1 1 27 27 LYS HA H 1 4.069 0.005 . . . . . . 27 K HA . 15487 1 22 . 1 1 27 27 LYS HB2 H 1 1.459 0.011 . . . . . . 27 K HB2 . 15487 1 23 . 1 1 27 27 LYS HB3 H 1 1.507 0.005 . . . . . . 27 K HB3 . 15487 1 24 . 1 1 27 27 LYS HD2 H 1 1.615 0.007 . . . . . . 27 K QD . 15487 1 25 . 1 1 27 27 LYS HD3 H 1 1.615 0.007 . . . . . . 27 K QD . 15487 1 26 . 1 1 27 27 LYS HE2 H 1 2.891 0.000 . . . . . . 27 K QE . 15487 1 27 . 1 1 27 27 LYS HE3 H 1 2.891 0.000 . . . . . . 27 K QE . 15487 1 28 . 1 1 27 27 LYS HG2 H 1 1.148 0.006 . . . . . . 27 K QG . 15487 1 29 . 1 1 27 27 LYS HG3 H 1 1.148 0.006 . . . . . . 27 K QG . 15487 1 30 . 1 1 27 27 LYS CA C 13 53.180 0.017 . . . . . . 27 K CA . 15487 1 31 . 1 1 27 27 LYS CB C 13 30.846 0.027 . . . . . . 27 K CB . 15487 1 32 . 1 1 27 27 LYS CD C 13 26.431 0.054 . . . . . . 27 K CD . 15487 1 33 . 1 1 27 27 LYS CE C 13 39.460 0.033 . . . . . . 27 K CE . 15487 1 34 . 1 1 27 27 LYS CG C 13 22.080 0.003 . . . . . . 27 K CG . 15487 1 35 . 1 1 27 27 LYS N N 15 120.394 0.015 . . . . . . 27 K N . 15487 1 36 . 1 1 28 28 ARG H H 1 7.833 0.005 . . . . . . 28 R HN . 15487 1 37 . 1 1 28 28 ARG HA H 1 4.152 0.004 . . . . . . 28 R HA . 15487 1 38 . 1 1 28 28 ARG HB2 H 1 1.301 0.005 . . . . . . 28 R HB2 . 15487 1 39 . 1 1 28 28 ARG HB3 H 1 1.445 0.001 . . . . . . 28 R HB3 . 15487 1 40 . 1 1 28 28 ARG HD2 H 1 2.957 0.009 . . . . . . 28 R QD . 15487 1 41 . 1 1 28 28 ARG HD3 H 1 2.957 0.009 . . . . . . 28 R QD . 15487 1 42 . 1 1 28 28 ARG HG2 H 1 1.318 0.009 . . . . . . 28 R HG2 . 15487 1 43 . 1 1 28 28 ARG HG3 H 1 1.423 0.009 . . . . . . 28 R HG3 . 15487 1 44 . 1 1 28 28 ARG CA C 13 51.694 0.037 . . . . . . 28 R CA . 15487 1 45 . 1 1 28 28 ARG CB C 13 29.733 0.029 . . . . . . 28 R CB . 15487 1 46 . 1 1 28 28 ARG CD C 13 40.579 0.000 . . . . . . 28 R CD . 15487 1 47 . 1 1 28 28 ARG CG C 13 23.592 0.024 . . . . . . 28 R CG . 15487 1 48 . 1 1 28 28 ARG N N 15 120.694 0.016 . . . . . . 28 R N . 15487 1 49 . 1 1 29 29 TYR H H 1 8.535 0.005 . . . . . . 29 Y HN . 15487 1 50 . 1 1 29 29 TYR HA H 1 4.563 0.003 . . . . . . 29 Y HA . 15487 1 51 . 1 1 29 29 TYR HB2 H 1 2.865 0.006 . . . . . . 29 Y HB2 . 15487 1 52 . 1 1 29 29 TYR HB3 H 1 3.188 0.007 . . . . . . 29 Y HB3 . 15487 1 53 . 1 1 29 29 TYR HD1 H 1 6.947 0.004 . . . . . . 29 Y QD . 15487 1 54 . 1 1 29 29 TYR HD2 H 1 6.947 0.004 . . . . . . 29 Y QD . 15487 1 55 . 1 1 29 29 TYR HE1 H 1 6.727 0.002 . . . . . . 29 Y QE . 15487 1 56 . 1 1 29 29 TYR HE2 H 1 6.727 0.002 . . . . . . 29 Y QE . 15487 1 57 . 1 1 29 29 TYR CB C 13 34.803 0.028 . . . . . . 29 Y CB . 15487 1 58 . 1 1 29 29 TYR CD1 C 13 130.319 0.000 . . . . . . 29 Y CD1 . 15487 1 59 . 1 1 29 29 TYR CE1 C 13 115.681 0.000 . . . . . . 29 Y CE1 . 15487 1 60 . 1 1 29 29 TYR N N 15 123.003 0.007 . . . . . . 29 Y N . 15487 1 61 . 1 1 30 30 ARG H H 1 8.792 0.007 . . . . . . 30 R HN . 15487 1 62 . 1 1 30 30 ARG HA H 1 5.436 0.004 . . . . . . 30 R HA . 15487 1 63 . 1 1 30 30 ARG HB2 H 1 1.292 0.002 . . . . . . 30 R HB2 . 15487 1 64 . 1 1 30 30 ARG HB3 H 1 1.867 0.004 . . . . . . 30 R HB3 . 15487 1 65 . 1 1 30 30 ARG HD2 H 1 3.180 0.002 . . . . . . 30 R QD . 15487 1 66 . 1 1 30 30 ARG HD3 H 1 3.180 0.002 . . . . . . 30 R QD . 15487 1 67 . 1 1 30 30 ARG HG2 H 1 1.403 0.004 . . . . . . 30 R QG . 15487 1 68 . 1 1 30 30 ARG HG3 H 1 1.403 0.004 . . . . . . 30 R QG . 15487 1 69 . 1 1 30 30 ARG CA C 13 52.176 0.000 . . . . . . 30 R CA . 15487 1 70 . 1 1 30 30 ARG CB C 13 33.141 0.000 . . . . . . 30 R CB . 15487 1 71 . 1 1 30 30 ARG CD C 13 41.086 0.000 . . . . . . 30 R CD . 15487 1 72 . 1 1 30 30 ARG CG C 13 26.433 0.000 . . . . . . 30 R CG . 15487 1 73 . 1 1 30 30 ARG N N 15 126.111 0.013 . . . . . . 30 R N . 15487 1 74 . 1 1 31 31 ILE H H 1 9.068 0.003 . . . . . . 31 I HN . 15487 1 75 . 1 1 31 31 ILE HA H 1 5.201 0.008 . . . . . . 31 I HA . 15487 1 76 . 1 1 31 31 ILE HB H 1 1.873 0.002 . . . . . . 31 I HB . 15487 1 77 . 1 1 31 31 ILE HD11 H 1 0.847 0.002 . . . . . . 31 I QD1 . 15487 1 78 . 1 1 31 31 ILE HD12 H 1 0.847 0.002 . . . . . . 31 I QD1 . 15487 1 79 . 1 1 31 31 ILE HD13 H 1 0.847 0.002 . . . . . . 31 I QD1 . 15487 1 80 . 1 1 31 31 ILE HG12 H 1 1.348 0.008 . . . . . . 31 I HG12 . 15487 1 81 . 1 1 31 31 ILE HG13 H 1 1.493 0.004 . . . . . . 31 I HG13 . 15487 1 82 . 1 1 31 31 ILE HG21 H 1 0.873 0.002 . . . . . . 31 I QG2 . 15487 1 83 . 1 1 31 31 ILE HG22 H 1 0.873 0.002 . . . . . . 31 I QG2 . 15487 1 84 . 1 1 31 31 ILE HG23 H 1 0.873 0.002 . . . . . . 31 I QG2 . 15487 1 85 . 1 1 31 31 ILE CA C 13 56.481 0.000 . . . . . . 31 I CA . 15487 1 86 . 1 1 31 31 ILE CB C 13 38.381 0.000 . . . . . . 31 I CB . 15487 1 87 . 1 1 31 31 ILE CD1 C 13 11.562 0.000 . . . . . . 31 I CD1 . 15487 1 88 . 1 1 31 31 ILE CG1 C 13 23.112 0.000 . . . . . . 31 I CG1 . 15487 1 89 . 1 1 31 31 ILE CG2 C 13 15.900 0.000 . . . . . . 31 I CG2 . 15487 1 90 . 1 1 31 31 ILE N N 15 117.905 0.014 . . . . . . 31 I N . 15487 1 91 . 1 1 32 32 THR H H 1 9.094 0.003 . . . . . . 32 T HN . 15487 1 92 . 1 1 32 32 THR HA H 1 4.868 0.000 . . . . . . 32 T HA . 15487 1 93 . 1 1 32 32 THR HB H 1 3.998 0.001 . . . . . . 32 T HB . 15487 1 94 . 1 1 32 32 THR HG21 H 1 1.194 0.012 . . . . . . 32 T QG2 . 15487 1 95 . 1 1 32 32 THR HG22 H 1 1.194 0.012 . . . . . . 32 T QG2 . 15487 1 96 . 1 1 32 32 THR HG23 H 1 1.194 0.012 . . . . . . 32 T QG2 . 15487 1 97 . 1 1 32 32 THR CA C 13 58.610 0.069 . . . . . . 32 T CA . 15487 1 98 . 1 1 32 32 THR CB C 13 67.693 0.000 . . . . . . 32 T CB . 15487 1 99 . 1 1 32 32 THR CG2 C 13 19.901 0.000 . . . . . . 32 T CG2 . 15487 1 100 . 1 1 32 32 THR N N 15 117.405 0.011 . . . . . . 32 T N . 15487 1 101 . 1 1 33 33 MET H H 1 8.640 0.014 . . . . . . 33 M HN . 15487 1 102 . 1 1 33 33 MET HA H 1 5.181 0.005 . . . . . . 33 M HA . 15487 1 103 . 1 1 33 33 MET HB2 H 1 1.521 0.002 . . . . . . 33 M HB2 . 15487 1 104 . 1 1 33 33 MET HB3 H 1 1.884 0.005 . . . . . . 33 M HB3 . 15487 1 105 . 1 1 33 33 MET HE1 H 1 1.720 0.000 . . . . . . 33 M QE . 15487 1 106 . 1 1 33 33 MET HE2 H 1 1.720 0.000 . . . . . . 33 M QE . 15487 1 107 . 1 1 33 33 MET HE3 H 1 1.720 0.000 . . . . . . 33 M QE . 15487 1 108 . 1 1 33 33 MET HG2 H 1 2.207 0.006 . . . . . . 33 M HG2 . 15487 1 109 . 1 1 33 33 MET HG3 H 1 2.276 0.000 . . . . . . 33 M HG3 . 15487 1 110 . 1 1 33 33 MET CA C 13 51.369 0.045 . . . . . . 33 M CA . 15487 1 111 . 1 1 33 33 MET CB C 13 33.299 0.055 . . . . . . 33 M CB . 15487 1 112 . 1 1 33 33 MET CE C 13 14.774 0.000 . . . . . . 33 M CE . 15487 1 113 . 1 1 33 33 MET CG C 13 29.081 0.004 . . . . . . 33 M CG . 15487 1 114 . 1 1 33 33 MET N N 15 123.305 0.012 . . . . . . 33 M N . 15487 1 115 . 1 1 34 34 LYS H H 1 8.890 0.002 . . . . . . 34 K HN . 15487 1 116 . 1 1 34 34 LYS HA H 1 4.800 0.001 . . . . . . 34 K HA . 15487 1 117 . 1 1 34 34 LYS HB2 H 1 1.643 0.003 . . . . . . 34 K HB2 . 15487 1 118 . 1 1 34 34 LYS HB3 H 1 1.735 0.001 . . . . . . 34 K HB3 . 15487 1 119 . 1 1 34 34 LYS HD2 H 1 1.459 0.001 . . . . . . 34 K HD2 . 15487 1 120 . 1 1 34 34 LYS HD3 H 1 1.534 0.004 . . . . . . 34 K HD3 . 15487 1 121 . 1 1 34 34 LYS HE2 H 1 2.770 0.001 . . . . . . 34 K QE . 15487 1 122 . 1 1 34 34 LYS HE3 H 1 2.770 0.001 . . . . . . 34 K QE . 15487 1 123 . 1 1 34 34 LYS HG2 H 1 1.230 0.002 . . . . . . 34 K QG . 15487 1 124 . 1 1 34 34 LYS HG3 H 1 1.230 0.002 . . . . . . 34 K QG . 15487 1 125 . 1 1 34 34 LYS CA C 13 52.580 0.000 . . . . . . 34 K CA . 15487 1 126 . 1 1 34 34 LYS CB C 13 33.310 0.000 . . . . . . 34 K CB . 15487 1 127 . 1 1 34 34 LYS CD C 13 26.891 0.000 . . . . . . 34 K CD . 15487 1 128 . 1 1 34 34 LYS CE C 13 39.655 0.000 . . . . . . 34 K CE . 15487 1 129 . 1 1 34 34 LYS CG C 13 23.056 0.000 . . . . . . 34 K CG . 15487 1 130 . 1 1 34 34 LYS N N 15 120.398 0.007 . . . . . . 34 K N . 15487 1 131 . 1 1 35 35 ASN H H 1 8.360 0.000 . . . . . . 35 N HN . 15487 1 132 . 1 1 35 35 ASN HA H 1 4.292 0.001 . . . . . . 35 N HA . 15487 1 133 . 1 1 35 35 ASN HB2 H 1 2.782 0.003 . . . . . . 35 N HB2 . 15487 1 134 . 1 1 35 35 ASN HB3 H 1 3.501 0.008 . . . . . . 35 N HB3 . 15487 1 135 . 1 1 35 35 ASN HD21 H 1 6.685 0.002 . . . . . . 35 N HD21 . 15487 1 136 . 1 1 35 35 ASN HD22 H 1 7.834 0.003 . . . . . . 35 N HD22 . 15487 1 137 . 1 1 35 35 ASN CA C 13 51.414 0.000 . . . . . . 35 N CA . 15487 1 138 . 1 1 35 35 ASN CB C 13 35.592 0.028 . . . . . . 35 N CB . 15487 1 139 . 1 1 35 35 ASN N N 15 115.303 0.004 . . . . . . 35 N N . 15487 1 140 . 1 1 35 35 ASN ND2 N 15 112.801 0.008 . . . . . . 35 N ND2 . 15487 1 141 . 1 1 38 38 GLU H H 1 8.390 0.008 . . . . . . 38 E HN . 15487 1 142 . 1 1 38 38 GLU HA H 1 3.613 0.004 . . . . . . 38 E HA . 15487 1 143 . 1 1 38 38 GLU HB2 H 1 1.788 0.001 . . . . . . 38 E QB . 15487 1 144 . 1 1 38 38 GLU HB3 H 1 1.788 0.001 . . . . . . 38 E QB . 15487 1 145 . 1 1 38 38 GLU HG2 H 1 2.107 0.004 . . . . . . 38 E QG . 15487 1 146 . 1 1 38 38 GLU HG3 H 1 2.107 0.004 . . . . . . 38 E QG . 15487 1 147 . 1 1 38 38 GLU CA C 13 55.367 0.000 . . . . . . 38 E CA . 15487 1 148 . 1 1 38 38 GLU CB C 13 26.831 0.000 . . . . . . 38 E CB . 15487 1 149 . 1 1 38 38 GLU CG C 13 29.253 0.000 . . . . . . 38 E CG . 15487 1 150 . 1 1 38 38 GLU N N 15 120.307 0.014 . . . . . . 38 E N . 15487 1 151 . 1 1 39 39 GLY H H 1 8.327 0.002 . . . . . . 39 G HN . 15487 1 152 . 1 1 39 39 GLY HA2 H 1 3.503 0.006 . . . . . . 39 G HA1 . 15487 1 153 . 1 1 39 39 GLY HA3 H 1 4.041 0.007 . . . . . . 39 G HA2 . 15487 1 154 . 1 1 39 39 GLY CA C 13 42.578 0.028 . . . . . . 39 G CA . 15487 1 155 . 1 1 39 39 GLY N N 15 112.084 0.022 . . . . . . 39 G N . 15487 1 156 . 1 1 40 40 CYS H H 1 7.503 0.003 . . . . . . 40 C HN . 15487 1 157 . 1 1 40 40 CYS HA H 1 4.409 0.007 . . . . . . 40 C HA . 15487 1 158 . 1 1 40 40 CYS HB2 H 1 2.844 0.009 . . . . . . 40 C HB2 . 15487 1 159 . 1 1 40 40 CYS HB3 H 1 2.948 0.000 . . . . . . 40 C HB3 . 15487 1 160 . 1 1 40 40 CYS CA C 13 57.132 0.000 . . . . . . 40 C CA . 15487 1 161 . 1 1 40 40 CYS CB C 13 25.422 0.000 . . . . . . 40 C CB . 15487 1 162 . 1 1 40 40 CYS N N 15 119.002 0.006 . . . . . . 40 C N . 15487 1 163 . 1 1 41 41 SER H H 1 9.441 0.002 . . . . . . 41 S HN . 15487 1 164 . 1 1 41 41 SER HA H 1 5.024 0.003 . . . . . . 41 S HA . 15487 1 165 . 1 1 41 41 SER HB2 H 1 3.804 0.001 . . . . . . 41 S HB2 . 15487 1 166 . 1 1 41 41 SER HB3 H 1 4.148 0.003 . . . . . . 41 S HB3 . 15487 1 167 . 1 1 41 41 SER CA C 13 53.463 0.005 . . . . . . 41 S CA . 15487 1 168 . 1 1 41 41 SER CB C 13 65.154 0.006 . . . . . . 41 S CB . 15487 1 169 . 1 1 41 41 SER N N 15 122.403 0.020 . . . . . . 41 S N . 15487 1 170 . 1 1 42 42 TRP H H 1 8.857 0.006 . . . . . . 42 W HN . 15487 1 171 . 1 1 42 42 TRP HA H 1 4.021 0.007 . . . . . . 42 W HA . 15487 1 172 . 1 1 42 42 TRP HB2 H 1 3.084 0.016 . . . . . . 42 W HB2 . 15487 1 173 . 1 1 42 42 TRP HB3 H 1 3.364 0.012 . . . . . . 42 W HB3 . 15487 1 174 . 1 1 42 42 TRP HD1 H 1 7.489 0.013 . . . . . . 42 W HD1 . 15487 1 175 . 1 1 42 42 TRP HE1 H 1 10.212 0.000 . . . . . . 42 W HE1 . 15487 1 176 . 1 1 42 42 TRP HH2 H 1 6.892 0.003 . . . . . . 42 W HH2 . 15487 1 177 . 1 1 42 42 TRP HZ2 H 1 7.408 0.003 . . . . . . 42 W HZ2 . 15487 1 178 . 1 1 42 42 TRP HZ3 H 1 7.117 0.007 . . . . . . 42 W HZ3 . 15487 1 179 . 1 1 42 42 TRP CA C 13 57.715 0.000 . . . . . . 42 W CA . 15487 1 180 . 1 1 42 42 TRP CB C 13 24.746 0.000 . . . . . . 42 W CB . 15487 1 181 . 1 1 42 42 TRP CD1 C 13 126.052 0.000 . . . . . . 42 W CD1 . 15487 1 182 . 1 1 42 42 TRP CH2 C 13 119.434 0.000 . . . . . . 42 W CH2 . 15487 1 183 . 1 1 42 42 TRP CZ2 C 13 112.652 0.000 . . . . . . 42 W CZ2 . 15487 1 184 . 1 1 42 42 TRP CZ3 C 13 122.278 0.000 . . . . . . 42 W CZ3 . 15487 1 185 . 1 1 42 42 TRP N N 15 119.811 0.026 . . . . . . 42 W N . 15487 1 186 . 1 1 42 42 TRP NE1 N 15 130.160 0.000 . . . . . . 42 W NE1 . 15487 1 187 . 1 1 43 43 GLN H H 1 7.415 0.008 . . . . . . 43 Q HN . 15487 1 188 . 1 1 43 43 GLN HA H 1 4.088 0.015 . . . . . . 43 Q HA . 15487 1 189 . 1 1 43 43 GLN HB2 H 1 2.073 0.000 . . . . . . 43 Q HB2 . 15487 1 190 . 1 1 43 43 GLN HB3 H 1 2.147 0.000 . . . . . . 43 Q HB3 . 15487 1 191 . 1 1 43 43 GLN HG2 H 1 2.350 0.000 . . . . . . 43 Q QG . 15487 1 192 . 1 1 43 43 GLN HG3 H 1 2.350 0.000 . . . . . . 43 Q QG . 15487 1 193 . 1 1 43 43 GLN CA C 13 56.220 0.000 . . . . . . 43 Q CA . 15487 1 194 . 1 1 43 43 GLN CB C 13 26.777 0.000 . . . . . . 43 Q CB . 15487 1 195 . 1 1 43 43 GLN CG C 13 33.874 0.000 . . . . . . 43 Q CG . 15487 1 196 . 1 1 43 43 GLN N N 15 124.734 0.066 . . . . . . 43 Q N . 15487 1 197 . 1 1 44 44 ASP H H 1 7.513 0.005 . . . . . . 44 D HN . 15487 1 198 . 1 1 44 44 ASP HA H 1 4.309 0.008 . . . . . . 44 D HA . 15487 1 199 . 1 1 44 44 ASP HB2 H 1 2.643 0.004 . . . . . . 44 D HB2 . 15487 1 200 . 1 1 44 44 ASP HB3 H 1 3.272 0.004 . . . . . . 44 D HB3 . 15487 1 201 . 1 1 44 44 ASP CA C 13 54.783 0.000 . . . . . . 44 D CA . 15487 1 202 . 1 1 44 44 ASP CB C 13 38.775 0.000 . . . . . . 44 D CB . 15487 1 203 . 1 1 44 44 ASP N N 15 119.499 0.002 . . . . . . 44 D N . 15487 1 204 . 1 1 45 45 LEU H H 1 7.241 0.001 . . . . . . 45 L HN . 15487 1 205 . 1 1 45 45 LEU HA H 1 3.839 0.000 . . . . . . 45 L HA . 15487 1 206 . 1 1 45 45 LEU HB2 H 1 1.371 0.002 . . . . . . 45 L HB2 . 15487 1 207 . 1 1 45 45 LEU HB3 H 1 1.829 0.009 . . . . . . 45 L HB3 . 15487 1 208 . 1 1 45 45 LEU HD11 H 1 0.671 0.005 . . . . . . 45 L QD1 . 15487 1 209 . 1 1 45 45 LEU HD12 H 1 0.671 0.005 . . . . . . 45 L QD1 . 15487 1 210 . 1 1 45 45 LEU HD13 H 1 0.671 0.005 . . . . . . 45 L QD1 . 15487 1 211 . 1 1 45 45 LEU HD21 H 1 0.895 0.001 . . . . . . 45 L QD2 . 15487 1 212 . 1 1 45 45 LEU HD22 H 1 0.895 0.001 . . . . . . 45 L QD2 . 15487 1 213 . 1 1 45 45 LEU HD23 H 1 0.895 0.001 . . . . . . 45 L QD2 . 15487 1 214 . 1 1 45 45 LEU HG H 1 1.607 0.001 . . . . . . 45 L HG . 15487 1 215 . 1 1 45 45 LEU CA C 13 54.882 0.106 . . . . . . 45 L CA . 15487 1 216 . 1 1 45 45 LEU CB C 13 39.170 0.000 . . . . . . 45 L CB . 15487 1 217 . 1 1 45 45 LEU CD1 C 13 20.858 0.000 . . . . . . 45 L CD1 . 15487 1 218 . 1 1 45 45 LEU CD2 C 13 20.239 0.000 . . . . . . 45 L CD2 . 15487 1 219 . 1 1 45 45 LEU CG C 13 24.577 0.000 . . . . . . 45 L CG . 15487 1 220 . 1 1 45 45 LEU N N 15 117.297 0.008 . . . . . . 45 L N . 15487 1 221 . 1 1 46 46 LYS H H 1 7.386 0.004 . . . . . . 46 K HN . 15487 1 222 . 1 1 46 46 LYS HA H 1 3.823 0.000 . . . . . . 46 K HA . 15487 1 223 . 1 1 46 46 LYS HB2 H 1 1.872 0.003 . . . . . . 46 K QB . 15487 1 224 . 1 1 46 46 LYS HB3 H 1 1.872 0.003 . . . . . . 46 K QB . 15487 1 225 . 1 1 46 46 LYS HD2 H 1 2.836 0.001 . . . . . . 46 K HD2 . 15487 1 226 . 1 1 46 46 LYS HD3 H 1 2.948 0.003 . . . . . . 46 K HD3 . 15487 1 227 . 1 1 46 46 LYS HG2 H 1 1.349 0.000 . . . . . . 46 K HG2 . 15487 1 228 . 1 1 46 46 LYS HG3 H 1 1.565 0.004 . . . . . . 46 K HG3 . 15487 1 229 . 1 1 46 46 LYS CA C 13 57.513 0.000 . . . . . . 46 K CA . 15487 1 230 . 1 1 46 46 LYS CB C 13 29.295 0.000 . . . . . . 46 K CB . 15487 1 231 . 1 1 46 46 LYS CD C 13 25.460 0.057 . . . . . . 46 K CD . 15487 1 232 . 1 1 46 46 LYS CG C 13 22.605 0.000 . . . . . . 46 K CG . 15487 1 233 . 1 1 46 46 LYS N N 15 118.796 0.009 . . . . . . 46 K N . 15487 1 234 . 1 1 47 47 ASP H H 1 8.266 0.010 . . . . . . 47 D HN . 15487 1 235 . 1 1 47 47 ASP HA H 1 4.346 0.006 . . . . . . 47 D HA . 15487 1 236 . 1 1 47 47 ASP HB2 H 1 2.667 0.003 . . . . . . 47 D HB2 . 15487 1 237 . 1 1 47 47 ASP HB3 H 1 2.818 0.001 . . . . . . 47 D HB3 . 15487 1 238 . 1 1 47 47 ASP CA C 13 54.968 0.000 . . . . . . 47 D CA . 15487 1 239 . 1 1 47 47 ASP CB C 13 37.355 0.006 . . . . . . 47 D CB . 15487 1 240 . 1 1 47 47 ASP N N 15 120.898 0.005 . . . . . . 47 D N . 15487 1 241 . 1 1 48 48 LEU H H 1 7.920 0.007 . . . . . . 48 L HN . 15487 1 242 . 1 1 48 48 LEU HA H 1 3.979 0.001 . . . . . . 48 L HA . 15487 1 243 . 1 1 48 48 LEU HB2 H 1 1.102 0.005 . . . . . . 48 L HB2 . 15487 1 244 . 1 1 48 48 LEU HB3 H 1 1.640 0.003 . . . . . . 48 L HB3 . 15487 1 245 . 1 1 48 48 LEU HD11 H 1 0.038 0.007 . . . . . . 48 L QD1 . 15487 1 246 . 1 1 48 48 LEU HD12 H 1 0.038 0.007 . . . . . . 48 L QD1 . 15487 1 247 . 1 1 48 48 LEU HD13 H 1 0.038 0.007 . . . . . . 48 L QD1 . 15487 1 248 . 1 1 48 48 LEU HD21 H 1 0.460 0.007 . . . . . . 48 L QD2 . 15487 1 249 . 1 1 48 48 LEU HD22 H 1 0.460 0.007 . . . . . . 48 L QD2 . 15487 1 250 . 1 1 48 48 LEU HD23 H 1 0.460 0.007 . . . . . . 48 L QD2 . 15487 1 251 . 1 1 48 48 LEU HG H 1 1.022 0.007 . . . . . . 48 L HG . 15487 1 252 . 1 1 48 48 LEU CA C 13 55.091 0.000 . . . . . . 48 L CA . 15487 1 253 . 1 1 48 48 LEU CB C 13 38.831 0.000 . . . . . . 48 L CB . 15487 1 254 . 1 1 48 48 LEU CD1 C 13 22.098 0.000 . . . . . . 48 L CD1 . 15487 1 255 . 1 1 48 48 LEU CD2 C 13 19.732 0.000 . . . . . . 48 L CD2 . 15487 1 256 . 1 1 48 48 LEU CG C 13 24.049 0.000 . . . . . . 48 L CG . 15487 1 257 . 1 1 48 48 LEU N N 15 122.703 0.009 . . . . . . 48 L N . 15487 1 258 . 1 1 49 49 ALA H H 1 7.963 0.003 . . . . . . 49 A HN . 15487 1 259 . 1 1 49 49 ALA HA H 1 3.862 0.006 . . . . . . 49 A HA . 15487 1 260 . 1 1 49 49 ALA HB1 H 1 1.580 0.003 . . . . . . 49 A QB . 15487 1 261 . 1 1 49 49 ALA HB2 H 1 1.580 0.003 . . . . . . 49 A QB . 15487 1 262 . 1 1 49 49 ALA HB3 H 1 1.580 0.003 . . . . . . 49 A QB . 15487 1 263 . 1 1 49 49 ALA CA C 13 53.611 0.000 . . . . . . 49 A CA . 15487 1 264 . 1 1 49 49 ALA CB C 13 15.450 0.000 . . . . . . 49 A CB . 15487 1 265 . 1 1 49 49 ALA N N 15 121.209 0.018 . . . . . . 49 A N . 15487 1 266 . 1 1 50 50 ARG H H 1 8.396 0.006 . . . . . . 50 R HN . 15487 1 267 . 1 1 50 50 ARG HA H 1 4.015 0.000 . . . . . . 50 R HA . 15487 1 268 . 1 1 50 50 ARG HB2 H 1 2.035 0.002 . . . . . . 50 R QB . 15487 1 269 . 1 1 50 50 ARG HB3 H 1 2.035 0.002 . . . . . . 50 R QB . 15487 1 270 . 1 1 50 50 ARG HD2 H 1 3.183 0.003 . . . . . . 50 R HD2 . 15487 1 271 . 1 1 50 50 ARG HD3 H 1 3.247 0.002 . . . . . . 50 R HD3 . 15487 1 272 . 1 1 50 50 ARG HG2 H 1 1.602 0.004 . . . . . . 50 R HG2 . 15487 1 273 . 1 1 50 50 ARG HG3 H 1 1.734 0.002 . . . . . . 50 R HG3 . 15487 1 274 . 1 1 50 50 ARG CA C 13 57.401 0.000 . . . . . . 50 R CA . 15487 1 275 . 1 1 50 50 ARG CB C 13 27.177 0.000 . . . . . . 50 R CB . 15487 1 276 . 1 1 50 50 ARG CD C 13 40.570 0.000 . . . . . . 50 R CD . 15487 1 277 . 1 1 50 50 ARG CG C 13 24.659 0.000 . . . . . . 50 R CG . 15487 1 278 . 1 1 50 50 ARG N N 15 120.591 0.025 . . . . . . 50 R N . 15487 1 279 . 1 1 51 51 GLU H H 1 8.612 0.004 . . . . . . 51 E HN . 15487 1 280 . 1 1 51 51 GLU HA H 1 4.059 0.012 . . . . . . 51 E HA . 15487 1 281 . 1 1 51 51 GLU HB2 H 1 2.064 0.009 . . . . . . 51 E HB2 . 15487 1 282 . 1 1 51 51 GLU HB3 H 1 2.136 0.007 . . . . . . 51 E HB3 . 15487 1 283 . 1 1 51 51 GLU HG2 H 1 2.292 0.027 . . . . . . 51 E HG2 . 15487 1 284 . 1 1 51 51 GLU HG3 H 1 2.351 0.003 . . . . . . 51 E HG3 . 15487 1 285 . 1 1 51 51 GLU CA C 13 56.224 0.000 . . . . . . 51 E CA . 15487 1 286 . 1 1 51 51 GLU CB C 13 26.770 0.006 . . . . . . 51 E CB . 15487 1 287 . 1 1 51 51 GLU CG C 13 33.865 0.004 . . . . . . 51 E CG . 15487 1 288 . 1 1 51 51 GLU N N 15 121.009 0.020 . . . . . . 51 E N . 15487 1 289 . 1 1 52 52 ASN H H 1 7.321 0.015 . . . . . . 52 N HN . 15487 1 290 . 1 1 52 52 ASN HB2 H 1 2.311 0.019 . . . . . . 52 N HB2 . 15487 1 291 . 1 1 52 52 ASN HB3 H 1 2.684 0.008 . . . . . . 52 N HB3 . 15487 1 292 . 1 1 52 52 ASN HD21 H 1 7.162 0.004 . . . . . . 52 N HD21 . 15487 1 293 . 1 1 52 52 ASN HD22 H 1 7.437 0.003 . . . . . . 52 N HD22 . 15487 1 294 . 1 1 52 52 ASN CB C 13 38.426 0.000 . . . . . . 52 N CB . 15487 1 295 . 1 1 52 52 ASN N N 15 116.235 0.015 . . . . . . 52 N N . 15487 1 296 . 1 1 52 52 ASN ND2 N 15 114.500 0.000 . . . . . . 52 N ND2 . 15487 1 297 . 1 1 53 53 SER H H 1 7.960 0.010 . . . . . . 53 S HN . 15487 1 298 . 1 1 53 53 SER HA H 1 3.970 0.006 . . . . . . 53 S HA . 15487 1 299 . 1 1 53 53 SER HB2 H 1 3.904 0.001 . . . . . . 53 S HB2 . 15487 1 300 . 1 1 53 53 SER HB3 H 1 4.062 0.000 . . . . . . 53 S HB3 . 15487 1 301 . 1 1 53 53 SER CA C 13 56.445 0.000 . . . . . . 53 S CA . 15487 1 302 . 1 1 53 53 SER CB C 13 58.636 0.007 . . . . . . 53 S CB . 15487 1 303 . 1 1 53 53 SER N N 15 110.299 0.046 . . . . . . 53 S N . 15487 1 304 . 1 1 54 54 LEU H H 1 7.874 0.024 . . . . . . 54 L HN . 15487 1 305 . 1 1 54 54 LEU HB2 H 1 1.023 0.002 . . . . . . 54 L HB2 . 15487 1 306 . 1 1 54 54 LEU HB3 H 1 1.731 0.002 . . . . . . 54 L HB3 . 15487 1 307 . 1 1 54 54 LEU HD11 H 1 0.998 0.001 . . . . . . 54 L QD1 . 15487 1 308 . 1 1 54 54 LEU HD12 H 1 0.998 0.001 . . . . . . 54 L QD1 . 15487 1 309 . 1 1 54 54 LEU HD13 H 1 0.998 0.001 . . . . . . 54 L QD1 . 15487 1 310 . 1 1 54 54 LEU HD21 H 1 0.670 0.006 . . . . . . 54 L QD2 . 15487 1 311 . 1 1 54 54 LEU HD22 H 1 0.670 0.006 . . . . . . 54 L QD2 . 15487 1 312 . 1 1 54 54 LEU HD23 H 1 0.670 0.006 . . . . . . 54 L QD2 . 15487 1 313 . 1 1 54 54 LEU HG H 1 1.572 0.011 . . . . . . 54 L HG . 15487 1 314 . 1 1 54 54 LEU CB C 13 40.695 0.000 . . . . . . 54 L CB . 15487 1 315 . 1 1 54 54 LEU CD1 C 13 15.854 0.000 . . . . . . 54 L CD1 . 15487 1 316 . 1 1 54 54 LEU CD2 C 13 11.706 0.000 . . . . . . 54 L CD2 . 15487 1 317 . 1 1 54 54 LEU CG C 13 22.245 0.000 . . . . . . 54 L CG . 15487 1 318 . 1 1 54 54 LEU N N 15 118.801 0.010 . . . . . . 54 L N . 15487 1 319 . 1 1 55 55 GLU H H 1 8.036 0.006 . . . . . . 55 E HN . 15487 1 320 . 1 1 55 55 GLU HA H 1 4.277 0.003 . . . . . . 55 E HA . 15487 1 321 . 1 1 55 55 GLU HB2 H 1 1.913 0.000 . . . . . . 55 E HB2 . 15487 1 322 . 1 1 55 55 GLU HB3 H 1 1.957 0.000 . . . . . . 55 E HB3 . 15487 1 323 . 1 1 55 55 GLU HG2 H 1 2.141 0.004 . . . . . . 55 E HG2 . 15487 1 324 . 1 1 55 55 GLU HG3 H 1 2.309 0.015 . . . . . . 55 E HG3 . 15487 1 325 . 1 1 55 55 GLU CA C 13 53.566 0.000 . . . . . . 55 E CA . 15487 1 326 . 1 1 55 55 GLU CB C 13 28.137 0.004 . . . . . . 55 E CB . 15487 1 327 . 1 1 55 55 GLU CG C 13 33.695 0.009 . . . . . . 55 E CG . 15487 1 328 . 1 1 55 55 GLU N N 15 125.595 0.010 . . . . . . 55 E N . 15487 1 329 . 1 1 56 56 THR H H 1 7.848 0.009 . . . . . . 56 T HN . 15487 1 330 . 1 1 56 56 THR HA H 1 5.131 0.012 . . . . . . 56 T HA . 15487 1 331 . 1 1 56 56 THR HB H 1 4.038 0.024 . . . . . . 56 T HB . 15487 1 332 . 1 1 56 56 THR CA C 13 56.566 0.000 . . . . . . 56 T CA . 15487 1 333 . 1 1 56 56 THR CB C 13 70.316 0.000 . . . . . . 56 T CB . 15487 1 334 . 1 1 56 56 THR N N 15 109.587 0.031 . . . . . . 56 T N . 15487 1 335 . 1 1 57 57 THR H H 1 8.556 0.006 . . . . . . 57 T HN . 15487 1 336 . 1 1 57 57 THR HA H 1 4.341 0.012 . . . . . . 57 T HA . 15487 1 337 . 1 1 57 57 THR HB H 1 4.107 0.000 . . . . . . 57 T HB . 15487 1 338 . 1 1 57 57 THR HG21 H 1 0.942 0.008 . . . . . . 57 T QG2 . 15487 1 339 . 1 1 57 57 THR HG22 H 1 0.942 0.008 . . . . . . 57 T QG2 . 15487 1 340 . 1 1 57 57 THR HG23 H 1 0.942 0.008 . . . . . . 57 T QG2 . 15487 1 341 . 1 1 57 57 THR CA C 13 58.883 0.065 . . . . . . 57 T CA . 15487 1 342 . 1 1 57 57 THR CB C 13 65.809 0.000 . . . . . . 57 T CB . 15487 1 343 . 1 1 57 57 THR CG2 C 13 20.841 0.000 . . . . . . 57 T CG2 . 15487 1 344 . 1 1 57 57 THR N N 15 110.705 0.010 . . . . . . 57 T N . 15487 1 345 . 1 1 58 58 PHE H H 1 7.272 0.002 . . . . . . 58 F HN . 15487 1 346 . 1 1 58 58 PHE HA H 1 4.486 0.000 . . . . . . 58 F HA . 15487 1 347 . 1 1 58 58 PHE HB2 H 1 2.289 0.016 . . . . . . 58 F HB2 . 15487 1 348 . 1 1 58 58 PHE HB3 H 1 3.140 0.012 . . . . . . 58 F HB3 . 15487 1 349 . 1 1 58 58 PHE HD1 H 1 6.855 0.016 . . . . . . 58 F QD . 15487 1 350 . 1 1 58 58 PHE HD2 H 1 6.855 0.016 . . . . . . 58 F QD . 15487 1 351 . 1 1 58 58 PHE HE1 H 1 7.084 0.003 . . . . . . 58 F QE . 15487 1 352 . 1 1 58 58 PHE HE2 H 1 7.084 0.003 . . . . . . 58 F QE . 15487 1 353 . 1 1 58 58 PHE CA C 13 55.898 0.000 . . . . . . 58 F CA . 15487 1 354 . 1 1 58 58 PHE CB C 13 39.846 0.000 . . . . . . 58 F CB . 15487 1 355 . 1 1 58 58 PHE CD1 C 13 128.682 0.000 . . . . . . 58 F CD1 . 15487 1 356 . 1 1 58 58 PHE CE1 C 13 127.717 0.000 . . . . . . 58 F CE1 . 15487 1 357 . 1 1 58 58 PHE N N 15 120.992 0.016 . . . . . . 58 F N . 15487 1 358 . 1 1 59 59 SER H H 1 6.913 0.003 . . . . . . 59 S HN . 15487 1 359 . 1 1 59 59 SER HA H 1 4.983 0.000 . . . . . . 59 S HA . 15487 1 360 . 1 1 59 59 SER HB2 H 1 3.654 0.001 . . . . . . 59 S HB2 . 15487 1 361 . 1 1 59 59 SER HB3 H 1 3.724 0.005 . . . . . . 59 S HB3 . 15487 1 362 . 1 1 59 59 SER CA C 13 53.432 0.000 . . . . . . 59 S CA . 15487 1 363 . 1 1 59 59 SER CB C 13 63.544 0.023 . . . . . . 59 S CB . 15487 1 364 . 1 1 59 59 SER N N 15 117.991 0.017 . . . . . . 59 S N . 15487 1 365 . 1 1 60 60 SER H H 1 8.641 0.002 . . . . . . 60 S HN . 15487 1 366 . 1 1 60 60 SER HA H 1 4.980 0.002 . . . . . . 60 S HA . 15487 1 367 . 1 1 60 60 SER HB2 H 1 3.712 0.005 . . . . . . 60 S QB . 15487 1 368 . 1 1 60 60 SER HB3 H 1 3.712 0.005 . . . . . . 60 S QB . 15487 1 369 . 1 1 60 60 SER CA C 13 53.608 0.000 . . . . . . 60 S CA . 15487 1 370 . 1 1 60 60 SER CB C 13 63.488 0.000 . . . . . . 60 S CB . 15487 1 371 . 1 1 60 60 SER N N 15 114.979 0.016 . . . . . . 60 S N . 15487 1 372 . 1 1 61 61 VAL H H 1 8.279 0.015 . . . . . . 61 V HN . 15487 1 373 . 1 1 61 61 VAL HA H 1 4.379 0.002 . . . . . . 61 V HA . 15487 1 374 . 1 1 61 61 VAL HB H 1 1.998 0.008 . . . . . . 61 V HB . 15487 1 375 . 1 1 61 61 VAL HG11 H 1 0.895 0.004 . . . . . . 61 V QG1 . 15487 1 376 . 1 1 61 61 VAL HG12 H 1 0.895 0.004 . . . . . . 61 V QG1 . 15487 1 377 . 1 1 61 61 VAL HG13 H 1 0.895 0.004 . . . . . . 61 V QG1 . 15487 1 378 . 1 1 61 61 VAL HG21 H 1 0.821 0.002 . . . . . . 61 V QG2 . 15487 1 379 . 1 1 61 61 VAL HG22 H 1 0.821 0.002 . . . . . . 61 V QG2 . 15487 1 380 . 1 1 61 61 VAL HG23 H 1 0.821 0.002 . . . . . . 61 V QG2 . 15487 1 381 . 1 1 61 61 VAL CA C 13 59.306 0.000 . . . . . . 61 V CA . 15487 1 382 . 1 1 61 61 VAL CB C 13 33.254 0.000 . . . . . . 61 V CB . 15487 1 383 . 1 1 61 61 VAL CG1 C 13 18.933 0.000 . . . . . . 61 V CG1 . 15487 1 384 . 1 1 61 61 VAL CG2 C 13 18.944 0.000 . . . . . . 61 V CG2 . 15487 1 385 . 1 1 61 61 VAL N N 15 118.298 0.004 . . . . . . 61 V N . 15487 1 386 . 1 1 62 62 ASN H H 1 8.346 0.012 . . . . . . 62 N HN . 15487 1 387 . 1 1 62 62 ASN HA H 1 4.795 0.002 . . . . . . 62 N HA . 15487 1 388 . 1 1 62 62 ASN HB2 H 1 2.703 0.005 . . . . . . 62 N HB2 . 15487 1 389 . 1 1 62 62 ASN HB3 H 1 3.120 0.007 . . . . . . 62 N HB3 . 15487 1 390 . 1 1 62 62 ASN HD21 H 1 7.163 0.003 . . . . . . 62 N HD21 . 15487 1 391 . 1 1 62 62 ASN HD22 H 1 7.382 0.005 . . . . . . 62 N HD22 . 15487 1 392 . 1 1 62 62 ASN CA C 13 52.546 0.000 . . . . . . 62 N CA . 15487 1 393 . 1 1 62 62 ASN CB C 13 35.049 0.008 . . . . . . 62 N CB . 15487 1 394 . 1 1 62 62 ASN N N 15 123.310 0.020 . . . . . . 62 N N . 15487 1 395 . 1 1 62 62 ASN ND2 N 15 113.197 0.007 . . . . . . 62 N ND2 . 15487 1 396 . 1 1 63 63 THR H H 1 8.251 0.009 . . . . . . 63 T HN . 15487 1 397 . 1 1 63 63 THR N N 15 116.309 0.009 . . . . . . 63 T N . 15487 1 398 . 1 1 64 64 ARG HA H 1 4.291 0.000 . . . . . . 64 R HA . 15487 1 399 . 1 1 65 65 ASP H H 1 9.008 0.005 . . . . . . 65 D HN . 15487 1 400 . 1 1 65 65 ASP HA H 1 4.204 0.004 . . . . . . 65 D HA . 15487 1 401 . 1 1 65 65 ASP HB2 H 1 1.341 0.002 . . . . . . 65 D HB2 . 15487 1 402 . 1 1 65 65 ASP HB3 H 1 1.444 0.000 . . . . . . 65 D HB3 . 15487 1 403 . 1 1 65 65 ASP CA C 13 50.996 0.000 . . . . . . 65 D CA . 15487 1 404 . 1 1 65 65 ASP CB C 13 38.209 0.011 . . . . . . 65 D CB . 15487 1 405 . 1 1 65 65 ASP N N 15 116.313 0.029 . . . . . . 65 D N . 15487 1 406 . 1 1 66 66 PHE H H 1 7.781 0.006 . . . . . . 66 F HN . 15487 1 407 . 1 1 66 66 PHE HA H 1 4.381 0.006 . . . . . . 66 F HA . 15487 1 408 . 1 1 66 66 PHE HB2 H 1 3.077 0.000 . . . . . . 66 F QB . 15487 1 409 . 1 1 66 66 PHE HB3 H 1 3.077 0.000 . . . . . . 66 F QB . 15487 1 410 . 1 1 66 66 PHE HD1 H 1 7.291 0.013 . . . . . . 66 F QD . 15487 1 411 . 1 1 66 66 PHE HD2 H 1 7.291 0.013 . . . . . . 66 F QD . 15487 1 412 . 1 1 66 66 PHE HE1 H 1 7.249 0.000 . . . . . . 66 F QE . 15487 1 413 . 1 1 66 66 PHE HE2 H 1 7.249 0.000 . . . . . . 66 F QE . 15487 1 414 . 1 1 66 66 PHE HZ H 1 7.187 0.002 . . . . . . 66 F HZ . 15487 1 415 . 1 1 66 66 PHE CA C 13 57.064 0.000 . . . . . . 66 F CA . 15487 1 416 . 1 1 66 66 PHE CB C 13 36.146 0.000 . . . . . . 66 F CB . 15487 1 417 . 1 1 66 66 PHE CD1 C 13 130.100 0.000 . . . . . . 66 F CD1 . 15487 1 418 . 1 1 66 66 PHE CE1 C 13 129.363 0.000 . . . . . . 66 F CE1 . 15487 1 419 . 1 1 66 66 PHE CZ C 13 128.057 0.000 . . . . . . 66 F CZ . 15487 1 420 . 1 1 66 66 PHE N N 15 118.792 0.017 . . . . . . 66 F N . 15487 1 421 . 1 1 67 67 ASP H H 1 7.933 0.015 . . . . . . 67 D HN . 15487 1 422 . 1 1 67 67 ASP HB2 H 1 2.595 0.235 . . . . . . 67 D HB2 . 15487 1 423 . 1 1 67 67 ASP CB C 13 38.550 0.000 . . . . . . 67 D CB . 15487 1 424 . 1 1 67 67 ASP N N 15 122.952 0.084 . . . . . . 67 D N . 15487 1 425 . 1 1 68 68 GLY H H 1 6.892 0.004 . . . . . . 68 G HN . 15487 1 426 . 1 1 68 68 GLY HA2 H 1 3.646 0.001 . . . . . . 68 G HA1 . 15487 1 427 . 1 1 68 68 GLY HA3 H 1 4.097 0.001 . . . . . . 68 G HA2 . 15487 1 428 . 1 1 68 68 GLY CA C 13 43.870 0.004 . . . . . . 68 G CA . 15487 1 429 . 1 1 68 68 GLY N N 15 107.311 0.019 . . . . . . 68 G N . 15487 1 430 . 1 1 69 69 THR H H 1 7.683 0.009 . . . . . . 69 T HN . 15487 1 431 . 1 1 69 69 THR HA H 1 5.611 0.007 . . . . . . 69 T HA . 15487 1 432 . 1 1 69 69 THR HB H 1 4.216 0.000 . . . . . . 69 T HB . 15487 1 433 . 1 1 69 69 THR HG21 H 1 1.132 0.005 . . . . . . 69 T QG2 . 15487 1 434 . 1 1 69 69 THR HG22 H 1 1.132 0.005 . . . . . . 69 T QG2 . 15487 1 435 . 1 1 69 69 THR HG23 H 1 1.132 0.005 . . . . . . 69 T QG2 . 15487 1 436 . 1 1 69 69 THR CA C 13 57.692 0.000 . . . . . . 69 T CA . 15487 1 437 . 1 1 69 69 THR CB C 13 70.384 0.000 . . . . . . 69 T CB . 15487 1 438 . 1 1 69 69 THR CG2 C 13 19.073 0.000 . . . . . . 69 T CG2 . 15487 1 439 . 1 1 69 69 THR N N 15 108.894 0.008 . . . . . . 69 T N . 15487 1 440 . 1 1 70 70 GLY H H 1 8.466 0.011 . . . . . . 70 G HN . 15487 1 441 . 1 1 70 70 GLY HA2 H 1 3.844 0.005 . . . . . . 70 G QA . 15487 1 442 . 1 1 70 70 GLY HA3 H 1 3.844 0.005 . . . . . . 70 G QA . 15487 1 443 . 1 1 70 70 GLY CA C 13 43.193 0.000 . . . . . . 70 G CA . 15487 1 444 . 1 1 70 70 GLY N N 15 107.708 0.017 . . . . . . 70 G N . 15487 1 445 . 1 1 71 71 ALA H H 1 9.182 0.004 . . . . . . 71 A HN . 15487 1 446 . 1 1 71 71 ALA HA H 1 5.320 0.001 . . . . . . 71 A HA . 15487 1 447 . 1 1 71 71 ALA HB1 H 1 1.339 0.001 . . . . . . 71 A QB . 15487 1 448 . 1 1 71 71 ALA HB2 H 1 1.339 0.001 . . . . . . 71 A QB . 15487 1 449 . 1 1 71 71 ALA HB3 H 1 1.339 0.001 . . . . . . 71 A QB . 15487 1 450 . 1 1 71 71 ALA CA C 13 49.486 0.000 . . . . . . 71 A CA . 15487 1 451 . 1 1 71 71 ALA CB C 13 20.002 0.000 . . . . . . 71 A CB . 15487 1 452 . 1 1 71 71 ALA N N 15 123.174 0.018 . . . . . . 71 A N . 15487 1 453 . 1 1 72 72 LEU H H 1 7.871 0.012 . . . . . . 72 L HN . 15487 1 454 . 1 1 72 72 LEU HA H 1 4.840 0.004 . . . . . . 72 L HA . 15487 1 455 . 1 1 72 72 LEU HB2 H 1 0.862 0.002 . . . . . . 72 L HB2 . 15487 1 456 . 1 1 72 72 LEU HB3 H 1 1.332 0.007 . . . . . . 72 L HB3 . 15487 1 457 . 1 1 72 72 LEU HD11 H 1 0.907 0.005 . . . . . . 72 L QD1 . 15487 1 458 . 1 1 72 72 LEU HD12 H 1 0.907 0.005 . . . . . . 72 L QD1 . 15487 1 459 . 1 1 72 72 LEU HD13 H 1 0.907 0.005 . . . . . . 72 L QD1 . 15487 1 460 . 1 1 72 72 LEU HD21 H 1 1.349 0.013 . . . . . . 72 L QD2 . 15487 1 461 . 1 1 72 72 LEU HD22 H 1 1.349 0.013 . . . . . . 72 L QD2 . 15487 1 462 . 1 1 72 72 LEU HD23 H 1 1.349 0.013 . . . . . . 72 L QD2 . 15487 1 463 . 1 1 72 72 LEU HG H 1 1.603 0.001 . . . . . . 72 L HG . 15487 1 464 . 1 1 72 72 LEU CA C 13 50.906 0.000 . . . . . . 72 L CA . 15487 1 465 . 1 1 72 72 LEU CB C 13 46.371 0.015 . . . . . . 72 L CB . 15487 1 466 . 1 1 72 72 LEU CD1 C 13 21.750 0.000 . . . . . . 72 L CD1 . 15487 1 467 . 1 1 72 72 LEU CD2 C 13 20.016 0.000 . . . . . . 72 L CD2 . 15487 1 468 . 1 1 72 72 LEU CG C 13 24.383 0.000 . . . . . . 72 L CG . 15487 1 469 . 1 1 72 72 LEU N N 15 116.902 0.006 . . . . . . 72 L N . 15487 1 470 . 1 1 73 73 GLU H H 1 7.953 0.194 . . . . . . 73 E HN . 15487 1 471 . 1 1 73 73 GLU HA H 1 5.315 0.007 . . . . . . 73 E HA . 15487 1 472 . 1 1 73 73 GLU HB2 H 1 1.305 0.004 . . . . . . 73 E HB2 . 15487 1 473 . 1 1 73 73 GLU HB3 H 1 1.441 0.004 . . . . . . 73 E HB3 . 15487 1 474 . 1 1 73 73 GLU HG2 H 1 2.014 0.007 . . . . . . 73 E QG . 15487 1 475 . 1 1 73 73 GLU HG3 H 1 2.014 0.007 . . . . . . 73 E QG . 15487 1 476 . 1 1 73 73 GLU CA C 13 51.272 0.042 . . . . . . 73 E CA . 15487 1 477 . 1 1 73 73 GLU CB C 13 29.789 0.000 . . . . . . 73 E CB . 15487 1 478 . 1 1 73 73 GLU CG C 13 37.226 0.000 . . . . . . 73 E CG . 15487 1 479 . 1 1 73 73 GLU N N 15 116.302 0.004 . . . . . . 73 E N . 15487 1 480 . 1 1 74 74 PHE H H 1 8.618 0.002 . . . . . . 74 F HN . 15487 1 481 . 1 1 74 74 PHE HA H 1 5.271 0.001 . . . . . . 74 F HA . 15487 1 482 . 1 1 74 74 PHE HB2 H 1 2.534 0.004 . . . . . . 74 F HB2 . 15487 1 483 . 1 1 74 74 PHE HB3 H 1 3.345 0.007 . . . . . . 74 F HB3 . 15487 1 484 . 1 1 74 74 PHE CA C 13 52.983 0.000 . . . . . . 74 F CA . 15487 1 485 . 1 1 74 74 PHE CB C 13 39.423 0.000 . . . . . . 74 F CB . 15487 1 486 . 1 1 74 74 PHE N N 15 117.915 0.030 . . . . . . 74 F N . 15487 1 487 . 1 1 75 75 PRO HA H 1 3.885 0.000 . . . . . . 75 P HA . 15487 1 488 . 1 1 76 76 SER H H 1 6.802 0.018 . . . . . . 76 S HN . 15487 1 489 . 1 1 76 76 SER HA H 1 4.197 0.001 . . . . . . 76 S HA . 15487 1 490 . 1 1 76 76 SER HB2 H 1 3.687 0.003 . . . . . . 76 S HB2 . 15487 1 491 . 1 1 76 76 SER HB3 H 1 4.005 0.002 . . . . . . 76 S HB3 . 15487 1 492 . 1 1 76 76 SER CA C 13 53.234 0.019 . . . . . . 76 S CA . 15487 1 493 . 1 1 76 76 SER CB C 13 63.913 0.014 . . . . . . 76 S CB . 15487 1 494 . 1 1 76 76 SER N N 15 107.316 0.023 . . . . . . 76 S N . 15487 1 495 . 1 1 77 77 GLU H H 1 7.979 0.004 . . . . . . 77 E HN . 15487 1 496 . 1 1 77 77 GLU HA H 1 3.349 0.005 . . . . . . 77 E HA . 15487 1 497 . 1 1 77 77 GLU HB2 H 1 1.612 0.003 . . . . . . 77 E HB2 . 15487 1 498 . 1 1 77 77 GLU HB3 H 1 1.801 0.003 . . . . . . 77 E HB3 . 15487 1 499 . 1 1 77 77 GLU HG2 H 1 2.002 0.012 . . . . . . 77 E HG2 . 15487 1 500 . 1 1 77 77 GLU HG3 H 1 2.264 0.004 . . . . . . 77 E HG3 . 15487 1 501 . 1 1 77 77 GLU CA C 13 55.793 0.000 . . . . . . 77 E CA . 15487 1 502 . 1 1 77 77 GLU CB C 13 26.881 0.001 . . . . . . 77 E CB . 15487 1 503 . 1 1 77 77 GLU CG C 13 33.310 0.028 . . . . . . 77 E CG . 15487 1 504 . 1 1 77 77 GLU N N 15 122.007 0.020 . . . . . . 77 E N . 15487 1 505 . 1 1 78 78 GLU H H 1 8.446 0.010 . . . . . . 78 E HN . 15487 1 506 . 1 1 78 78 GLU HA H 1 3.739 0.010 . . . . . . 78 E HA . 15487 1 507 . 1 1 78 78 GLU HB2 H 1 1.793 0.004 . . . . . . 78 E HB2 . 15487 1 508 . 1 1 78 78 GLU HB3 H 1 1.907 0.006 . . . . . . 78 E HB3 . 15487 1 509 . 1 1 78 78 GLU HG2 H 1 2.073 0.008 . . . . . . 78 E HG2 . 15487 1 510 . 1 1 78 78 GLU HG3 H 1 2.279 0.004 . . . . . . 78 E HG3 . 15487 1 511 . 1 1 78 78 GLU CA C 13 57.873 0.000 . . . . . . 78 E CA . 15487 1 512 . 1 1 78 78 GLU CB C 13 26.295 0.000 . . . . . . 78 E CB . 15487 1 513 . 1 1 78 78 GLU CG C 13 33.507 0.000 . . . . . . 78 E CG . 15487 1 514 . 1 1 78 78 GLU N N 15 116.705 0.014 . . . . . . 78 E N . 15487 1 515 . 1 1 79 79 ILE H H 1 7.210 0.015 . . . . . . 79 I HN . 15487 1 516 . 1 1 79 79 ILE HA H 1 3.631 0.016 . . . . . . 79 I HA . 15487 1 517 . 1 1 79 79 ILE HB H 1 1.485 0.004 . . . . . . 79 I HB . 15487 1 518 . 1 1 79 79 ILE HD11 H 1 0.908 0.004 . . . . . . 79 I QD1 . 15487 1 519 . 1 1 79 79 ILE HD12 H 1 0.908 0.004 . . . . . . 79 I QD1 . 15487 1 520 . 1 1 79 79 ILE HD13 H 1 0.908 0.004 . . . . . . 79 I QD1 . 15487 1 521 . 1 1 79 79 ILE HG12 H 1 1.086 0.001 . . . . . . 79 I HG12 . 15487 1 522 . 1 1 79 79 ILE HG13 H 1 1.456 0.003 . . . . . . 79 I HG13 . 15487 1 523 . 1 1 79 79 ILE HG21 H 1 1.044 0.003 . . . . . . 79 I QG2 . 15487 1 524 . 1 1 79 79 ILE HG22 H 1 1.044 0.003 . . . . . . 79 I QG2 . 15487 1 525 . 1 1 79 79 ILE HG23 H 1 1.044 0.003 . . . . . . 79 I QG2 . 15487 1 526 . 1 1 79 79 ILE CA C 13 61.653 0.000 . . . . . . 79 I CA . 15487 1 527 . 1 1 79 79 ILE CB C 13 35.972 0.000 . . . . . . 79 I CB . 15487 1 528 . 1 1 79 79 ILE CD1 C 13 18.971 0.000 . . . . . . 79 I CD1 . 15487 1 529 . 1 1 79 79 ILE CG1 C 13 26.859 0.000 . . . . . . 79 I CG1 . 15487 1 530 . 1 1 79 79 ILE CG2 C 13 18.915 0.000 . . . . . . 79 I CG2 . 15487 1 531 . 1 1 79 79 ILE N N 15 119.193 0.013 . . . . . . 79 I N . 15487 1 532 . 1 1 80 80 LEU H H 1 7.068 0.005 . . . . . . 80 L HN . 15487 1 533 . 1 1 80 80 LEU HA H 1 3.096 0.004 . . . . . . 80 L HA . 15487 1 534 . 1 1 80 80 LEU HB2 H 1 1.459 0.004 . . . . . . 80 L HB2 . 15487 1 535 . 1 1 80 80 LEU HB3 H 1 2.086 0.003 . . . . . . 80 L HB3 . 15487 1 536 . 1 1 80 80 LEU HD11 H 1 0.965 0.007 . . . . . . 80 L QD1 . 15487 1 537 . 1 1 80 80 LEU HD12 H 1 0.965 0.007 . . . . . . 80 L QD1 . 15487 1 538 . 1 1 80 80 LEU HD13 H 1 0.965 0.007 . . . . . . 80 L QD1 . 15487 1 539 . 1 1 80 80 LEU HD21 H 1 0.894 0.004 . . . . . . 80 L QD2 . 15487 1 540 . 1 1 80 80 LEU HD22 H 1 0.894 0.004 . . . . . . 80 L QD2 . 15487 1 541 . 1 1 80 80 LEU HD23 H 1 0.894 0.004 . . . . . . 80 L QD2 . 15487 1 542 . 1 1 80 80 LEU HG H 1 1.443 0.003 . . . . . . 80 L HG . 15487 1 543 . 1 1 80 80 LEU CA C 13 56.498 0.000 . . . . . . 80 L CA . 15487 1 544 . 1 1 80 80 LEU CB C 13 38.713 0.004 . . . . . . 80 L CB . 15487 1 545 . 1 1 80 80 LEU CD1 C 13 25.394 0.000 . . . . . . 80 L CD1 . 15487 1 546 . 1 1 80 80 LEU CD2 C 13 23.816 0.000 . . . . . . 80 L CD2 . 15487 1 547 . 1 1 80 80 LEU CG C 13 25.059 0.000 . . . . . . 80 L CG . 15487 1 548 . 1 1 80 80 LEU N N 15 121.516 0.023 . . . . . . 80 L N . 15487 1 549 . 1 1 81 81 VAL H H 1 8.292 0.005 . . . . . . 81 V HN . 15487 1 550 . 1 1 81 81 VAL HA H 1 3.360 0.001 . . . . . . 81 V HA . 15487 1 551 . 1 1 81 81 VAL HB H 1 1.990 0.008 . . . . . . 81 V HB . 15487 1 552 . 1 1 81 81 VAL HG11 H 1 0.885 0.009 . . . . . . 81 V QG1 . 15487 1 553 . 1 1 81 81 VAL HG12 H 1 0.885 0.009 . . . . . . 81 V QG1 . 15487 1 554 . 1 1 81 81 VAL HG13 H 1 0.885 0.009 . . . . . . 81 V QG1 . 15487 1 555 . 1 1 81 81 VAL HG21 H 1 0.956 0.007 . . . . . . 81 V QG2 . 15487 1 556 . 1 1 81 81 VAL HG22 H 1 0.956 0.007 . . . . . . 81 V QG2 . 15487 1 557 . 1 1 81 81 VAL HG23 H 1 0.956 0.007 . . . . . . 81 V QG2 . 15487 1 558 . 1 1 81 81 VAL CA C 13 64.582 0.000 . . . . . . 81 V CA . 15487 1 559 . 1 1 81 81 VAL CB C 13 29.028 0.000 . . . . . . 81 V CB . 15487 1 560 . 1 1 81 81 VAL CG1 C 13 23.793 0.000 . . . . . . 81 V CG1 . 15487 1 561 . 1 1 81 81 VAL CG2 C 13 20.522 0.000 . . . . . . 81 V CG2 . 15487 1 562 . 1 1 81 81 VAL N N 15 117.702 0.004 . . . . . . 81 V N . 15487 1 563 . 1 1 82 82 GLU H H 1 7.161 0.007 . . . . . . 82 E HN . 15487 1 564 . 1 1 82 82 GLU HA H 1 3.968 0.001 . . . . . . 82 E HA . 15487 1 565 . 1 1 82 82 GLU HB2 H 1 1.774 0.001 . . . . . . 82 E HB2 . 15487 1 566 . 1 1 82 82 GLU HB3 H 1 2.006 0.007 . . . . . . 82 E HB3 . 15487 1 567 . 1 1 82 82 GLU HG2 H 1 2.083 0.002 . . . . . . 82 E HG2 . 15487 1 568 . 1 1 82 82 GLU HG3 H 1 2.274 0.003 . . . . . . 82 E HG3 . 15487 1 569 . 1 1 82 82 GLU CA C 13 56.608 0.000 . . . . . . 82 E CA . 15487 1 570 . 1 1 82 82 GLU CB C 13 26.806 0.038 . . . . . . 82 E CB . 15487 1 571 . 1 1 82 82 GLU CG C 13 33.581 0.030 . . . . . . 82 E CG . 15487 1 572 . 1 1 82 82 GLU N N 15 120.120 0.023 . . . . . . 82 E N . 15487 1 573 . 1 1 83 83 ALA H H 1 8.409 0.001 . . . . . . 83 A HN . 15487 1 574 . 1 1 83 83 ALA HA H 1 3.585 0.005 . . . . . . 83 A HA . 15487 1 575 . 1 1 83 83 ALA HB1 H 1 0.887 0.003 . . . . . . 83 A QB . 15487 1 576 . 1 1 83 83 ALA HB2 H 1 0.887 0.003 . . . . . . 83 A QB . 15487 1 577 . 1 1 83 83 ALA HB3 H 1 0.887 0.003 . . . . . . 83 A QB . 15487 1 578 . 1 1 83 83 ALA CA C 13 52.910 0.000 . . . . . . 83 A CA . 15487 1 579 . 1 1 83 83 ALA CB C 13 17.971 0.000 . . . . . . 83 A CB . 15487 1 580 . 1 1 83 83 ALA N N 15 122.617 0.025 . . . . . . 83 A N . 15487 1 581 . 1 1 84 84 LEU H H 1 8.074 0.003 . . . . . . 84 L HN . 15487 1 582 . 1 1 84 84 LEU HA H 1 3.706 0.004 . . . . . . 84 L HA . 15487 1 583 . 1 1 84 84 LEU HB2 H 1 1.369 0.000 . . . . . . 84 L HB2 . 15487 1 584 . 1 1 84 84 LEU HB3 H 1 1.893 0.008 . . . . . . 84 L HB3 . 15487 1 585 . 1 1 84 84 LEU HD11 H 1 0.835 0.003 . . . . . . 84 L QD1 . 15487 1 586 . 1 1 84 84 LEU HD12 H 1 0.835 0.003 . . . . . . 84 L QD1 . 15487 1 587 . 1 1 84 84 LEU HD13 H 1 0.835 0.003 . . . . . . 84 L QD1 . 15487 1 588 . 1 1 84 84 LEU HD21 H 1 0.693 0.002 . . . . . . 84 L QD2 . 15487 1 589 . 1 1 84 84 LEU HD22 H 1 0.693 0.002 . . . . . . 84 L QD2 . 15487 1 590 . 1 1 84 84 LEU HD23 H 1 0.693 0.002 . . . . . . 84 L QD2 . 15487 1 591 . 1 1 84 84 LEU HG H 1 1.743 0.001 . . . . . . 84 L HG . 15487 1 592 . 1 1 84 84 LEU CA C 13 55.139 0.000 . . . . . . 84 L CA . 15487 1 593 . 1 1 84 84 LEU CB C 13 39.243 0.004 . . . . . . 84 L CB . 15487 1 594 . 1 1 84 84 LEU CD1 C 13 23.931 0.000 . . . . . . 84 L CD1 . 15487 1 595 . 1 1 84 84 LEU CD2 C 13 20.947 0.000 . . . . . . 84 L CD2 . 15487 1 596 . 1 1 84 84 LEU CG C 13 24.045 0.000 . . . . . . 84 L CG . 15487 1 597 . 1 1 84 84 LEU N N 15 116.107 0.017 . . . . . . 84 L N . 15487 1 598 . 1 1 85 85 GLU H H 1 7.092 0.007 . . . . . . 85 E HN . 15487 1 599 . 1 1 85 85 GLU HA H 1 4.123 0.003 . . . . . . 85 E HA . 15487 1 600 . 1 1 85 85 GLU HB2 H 1 2.051 0.002 . . . . . . 85 E QB . 15487 1 601 . 1 1 85 85 GLU HB3 H 1 2.051 0.002 . . . . . . 85 E QB . 15487 1 602 . 1 1 85 85 GLU HG2 H 1 1.999 0.015 . . . . . . 85 E HG2 . 15487 1 603 . 1 1 85 85 GLU HG3 H 1 2.157 0.001 . . . . . . 85 E HG3 . 15487 1 604 . 1 1 85 85 GLU CA C 13 55.601 0.000 . . . . . . 85 E CA . 15487 1 605 . 1 1 85 85 GLU CB C 13 27.708 0.000 . . . . . . 85 E CB . 15487 1 606 . 1 1 85 85 GLU CG C 13 33.401 0.008 . . . . . . 85 E CG . 15487 1 607 . 1 1 85 85 GLU N N 15 115.503 0.009 . . . . . . 85 E N . 15487 1 608 . 1 1 86 86 ARG H H 1 8.455 0.007 . . . . . . 86 R HN . 15487 1 609 . 1 1 86 86 ARG HA H 1 4.109 0.002 . . . . . . 86 R HA . 15487 1 610 . 1 1 86 86 ARG HB2 H 1 1.615 0.005 . . . . . . 86 R HB2 . 15487 1 611 . 1 1 86 86 ARG HB3 H 1 1.728 0.004 . . . . . . 86 R HB3 . 15487 1 612 . 1 1 86 86 ARG HD2 H 1 2.961 0.005 . . . . . . 86 R QD . 15487 1 613 . 1 1 86 86 ARG HD3 H 1 2.961 0.005 . . . . . . 86 R QD . 15487 1 614 . 1 1 86 86 ARG HG2 H 1 1.698 0.005 . . . . . . 86 R HG2 . 15487 1 615 . 1 1 86 86 ARG HG3 H 1 1.817 0.001 . . . . . . 86 R HG3 . 15487 1 616 . 1 1 86 86 ARG CA C 13 55.910 0.000 . . . . . . 86 R CA . 15487 1 617 . 1 1 86 86 ARG CB C 13 29.422 0.028 . . . . . . 86 R CB . 15487 1 618 . 1 1 86 86 ARG CD C 13 41.104 0.000 . . . . . . 86 R CD . 15487 1 619 . 1 1 86 86 ARG CG C 13 25.403 0.000 . . . . . . 86 R CG . 15487 1 620 . 1 1 86 86 ARG N N 15 116.107 0.020 . . . . . . 86 R N . 15487 1 621 . 1 1 87 87 LEU H H 1 8.246 0.003 . . . . . . 87 L HN . 15487 1 622 . 1 1 87 87 LEU HA H 1 4.304 0.009 . . . . . . 87 L HA . 15487 1 623 . 1 1 87 87 LEU HB2 H 1 1.271 0.001 . . . . . . 87 L HB2 . 15487 1 624 . 1 1 87 87 LEU HB3 H 1 1.681 0.003 . . . . . . 87 L HB3 . 15487 1 625 . 1 1 87 87 LEU HD11 H 1 0.471 0.007 . . . . . . 87 L QD1 . 15487 1 626 . 1 1 87 87 LEU HD12 H 1 0.471 0.007 . . . . . . 87 L QD1 . 15487 1 627 . 1 1 87 87 LEU HD13 H 1 0.471 0.007 . . . . . . 87 L QD1 . 15487 1 628 . 1 1 87 87 LEU HD21 H 1 0.796 0.004 . . . . . . 87 L QD2 . 15487 1 629 . 1 1 87 87 LEU HD22 H 1 0.796 0.004 . . . . . . 87 L QD2 . 15487 1 630 . 1 1 87 87 LEU HD23 H 1 0.796 0.004 . . . . . . 87 L QD2 . 15487 1 631 . 1 1 87 87 LEU HG H 1 1.512 0.000 . . . . . . 87 L HG . 15487 1 632 . 1 1 87 87 LEU CA C 13 51.369 0.000 . . . . . . 87 L CA . 15487 1 633 . 1 1 87 87 LEU CB C 13 39.831 0.014 . . . . . . 87 L CB . 15487 1 634 . 1 1 87 87 LEU CD1 C 13 19.554 0.000 . . . . . . 87 L CD1 . 15487 1 635 . 1 1 87 87 LEU CD2 C 13 15.196 0.000 . . . . . . 87 L CD2 . 15487 1 636 . 1 1 87 87 LEU CG C 13 24.302 0.000 . . . . . . 87 L CG . 15487 1 637 . 1 1 87 87 LEU N N 15 111.801 0.004 . . . . . . 87 L N . 15487 1 638 . 1 1 88 88 ASN H H 1 6.546 0.005 . . . . . . 88 N HN . 15487 1 639 . 1 1 88 88 ASN HA H 1 4.512 0.004 . . . . . . 88 N HA . 15487 1 640 . 1 1 88 88 ASN HB2 H 1 2.790 0.008 . . . . . . 88 N HB2 . 15487 1 641 . 1 1 88 88 ASN HB3 H 1 2.875 0.005 . . . . . . 88 N HB3 . 15487 1 642 . 1 1 88 88 ASN HD21 H 1 6.765 0.002 . . . . . . 88 N HD21 . 15487 1 643 . 1 1 88 88 ASN HD22 H 1 7.567 0.002 . . . . . . 88 N HD22 . 15487 1 644 . 1 1 88 88 ASN CB C 13 36.754 0.008 . . . . . . 88 N CB . 15487 1 645 . 1 1 88 88 ASN N N 15 112.900 0.000 . . . . . . 88 N N . 15487 1 646 . 1 1 88 88 ASN ND2 N 15 112.003 0.006 . . . . . . 88 N ND2 . 15487 1 647 . 1 1 89 89 ASN H H 1 8.682 0.003 . . . . . . 89 N HN . 15487 1 648 . 1 1 89 89 ASN HA H 1 4.341 0.007 . . . . . . 89 N HA . 15487 1 649 . 1 1 89 89 ASN HB2 H 1 2.852 0.005 . . . . . . 89 N HB2 . 15487 1 650 . 1 1 89 89 ASN HB3 H 1 2.903 0.025 . . . . . . 89 N HB3 . 15487 1 651 . 1 1 89 89 ASN HD21 H 1 6.576 0.001 . . . . . . 89 N HD21 . 15487 1 652 . 1 1 89 89 ASN HD22 H 1 7.376 0.004 . . . . . . 89 N HD22 . 15487 1 653 . 1 1 89 89 ASN CA C 13 52.383 0.000 . . . . . . 89 N CA . 15487 1 654 . 1 1 89 89 ASN CB C 13 34.465 0.000 . . . . . . 89 N CB . 15487 1 655 . 1 1 89 89 ASN N N 15 121.194 0.016 . . . . . . 89 N N . 15487 1 656 . 1 1 89 89 ASN ND2 N 15 112.507 0.014 . . . . . . 89 N ND2 . 15487 1 657 . 1 1 90 90 ILE H H 1 7.070 0.000 . . . . . . 90 I HN . 15487 1 658 . 1 1 90 90 ILE HA H 1 4.381 0.000 . . . . . . 90 I HA . 15487 1 659 . 1 1 90 90 ILE HB H 1 1.749 0.002 . . . . . . 90 I HB . 15487 1 660 . 1 1 90 90 ILE HD11 H 1 0.829 0.001 . . . . . . 90 I QD1 . 15487 1 661 . 1 1 90 90 ILE HD12 H 1 0.829 0.001 . . . . . . 90 I QD1 . 15487 1 662 . 1 1 90 90 ILE HD13 H 1 0.829 0.001 . . . . . . 90 I QD1 . 15487 1 663 . 1 1 90 90 ILE HG12 H 1 1.200 0.005 . . . . . . 90 I HG12 . 15487 1 664 . 1 1 90 90 ILE HG13 H 1 1.320 0.003 . . . . . . 90 I HG13 . 15487 1 665 . 1 1 90 90 ILE HG21 H 1 0.792 0.001 . . . . . . 90 I QG2 . 15487 1 666 . 1 1 90 90 ILE HG22 H 1 0.792 0.001 . . . . . . 90 I QG2 . 15487 1 667 . 1 1 90 90 ILE HG23 H 1 0.792 0.001 . . . . . . 90 I QG2 . 15487 1 668 . 1 1 90 90 ILE CA C 13 58.043 0.000 . . . . . . 90 I CA . 15487 1 669 . 1 1 90 90 ILE CB C 13 37.340 0.000 . . . . . . 90 I CB . 15487 1 670 . 1 1 90 90 ILE CD1 C 13 12.266 0.000 . . . . . . 90 I CD1 . 15487 1 671 . 1 1 90 90 ILE CG1 C 13 24.526 0.014 . . . . . . 90 I CG1 . 15487 1 672 . 1 1 90 90 ILE CG2 C 13 15.159 0.000 . . . . . . 90 I CG2 . 15487 1 673 . 1 1 90 90 ILE N N 15 114.505 0.014 . . . . . . 90 I N . 15487 1 674 . 1 1 91 91 GLU H H 1 8.213 0.009 . . . . . . 91 E HN . 15487 1 675 . 1 1 91 91 GLU HB2 H 1 1.794 0.005 . . . . . . 91 E HB2 . 15487 1 676 . 1 1 91 91 GLU HB3 H 1 1.942 0.004 . . . . . . 91 E HB3 . 15487 1 677 . 1 1 91 91 GLU HG2 H 1 1.865 0.002 . . . . . . 91 E HG2 . 15487 1 678 . 1 1 91 91 GLU HG3 H 1 2.043 0.001 . . . . . . 91 E HG3 . 15487 1 679 . 1 1 91 91 GLU CB C 13 27.805 0.012 . . . . . . 91 E CB . 15487 1 680 . 1 1 91 91 GLU CG C 13 34.412 0.007 . . . . . . 91 E CG . 15487 1 681 . 1 1 91 91 GLU N N 15 122.898 0.005 . . . . . . 91 E N . 15487 1 682 . 1 1 92 92 PHE H H 1 9.283 0.143 . . . . . . 92 F HN . 15487 1 683 . 1 1 92 92 PHE HA H 1 4.921 0.011 . . . . . . 92 F HA . 15487 1 684 . 1 1 92 92 PHE HB2 H 1 2.782 0.007 . . . . . . 92 F HB2 . 15487 1 685 . 1 1 92 92 PHE HB3 H 1 2.839 0.004 . . . . . . 92 F HB3 . 15487 1 686 . 1 1 92 92 PHE HD1 H 1 7.106 0.006 . . . . . . 92 F QD . 15487 1 687 . 1 1 92 92 PHE HD2 H 1 7.106 0.006 . . . . . . 92 F QD . 15487 1 688 . 1 1 92 92 PHE HE1 H 1 7.253 0.003 . . . . . . 92 F QE . 15487 1 689 . 1 1 92 92 PHE HE2 H 1 7.253 0.003 . . . . . . 92 F QE . 15487 1 690 . 1 1 92 92 PHE HZ H 1 6.962 0.003 . . . . . . 92 F HZ . 15487 1 691 . 1 1 92 92 PHE CA C 13 53.004 0.024 . . . . . . 92 F CA . 15487 1 692 . 1 1 92 92 PHE CB C 13 38.691 0.000 . . . . . . 92 F CB . 15487 1 693 . 1 1 92 92 PHE CD1 C 13 128.852 0.000 . . . . . . 92 F CD1 . 15487 1 694 . 1 1 92 92 PHE CE1 C 13 128.795 0.000 . . . . . . 92 F CE1 . 15487 1 695 . 1 1 92 92 PHE CZ C 13 126.865 0.000 . . . . . . 92 F CZ . 15487 1 696 . 1 1 92 92 PHE N N 15 127.869 0.080 . . . . . . 92 F N . 15487 1 697 . 1 1 93 93 ARG H H 1 9.083 0.004 . . . . . . 93 R HN . 15487 1 698 . 1 1 93 93 ARG HA H 1 3.562 0.001 . . . . . . 93 R HA . 15487 1 699 . 1 1 93 93 ARG HB2 H 1 1.619 0.002 . . . . . . 93 R QB . 15487 1 700 . 1 1 93 93 ARG HB3 H 1 1.619 0.002 . . . . . . 93 R QB . 15487 1 701 . 1 1 93 93 ARG CA C 13 54.090 0.000 . . . . . . 93 R CA . 15487 1 702 . 1 1 93 93 ARG CB C 13 25.056 0.000 . . . . . . 93 R CB . 15487 1 703 . 1 1 93 93 ARG N N 15 124.115 0.018 . . . . . . 93 R N . 15487 1 704 . 1 1 94 94 GLY H H 1 8.503 0.010 . . . . . . 94 G HN . 15487 1 705 . 1 1 94 94 GLY HA2 H 1 3.561 0.002 . . . . . . 94 G HA1 . 15487 1 706 . 1 1 94 94 GLY HA3 H 1 4.134 0.000 . . . . . . 94 G HA2 . 15487 1 707 . 1 1 94 94 GLY CA C 13 42.804 0.000 . . . . . . 94 G CA . 15487 1 708 . 1 1 94 94 GLY N N 15 103.429 0.028 . . . . . . 94 G N . 15487 1 709 . 1 1 95 95 SER H H 1 7.784 0.004 . . . . . . 95 S HN . 15487 1 710 . 1 1 95 95 SER HB2 H 1 3.581 0.002 . . . . . . 95 S HB2 . 15487 1 711 . 1 1 95 95 SER HB3 H 1 3.990 0.010 . . . . . . 95 S HB3 . 15487 1 712 . 1 1 95 95 SER CB C 13 63.253 0.000 . . . . . . 95 S CB . 15487 1 713 . 1 1 95 95 SER N N 15 116.996 0.009 . . . . . . 95 S N . 15487 1 714 . 1 1 96 96 VAL H H 1 8.388 0.004 . . . . . . 96 V HN . 15487 1 715 . 1 1 96 96 VAL HA H 1 4.429 0.003 . . . . . . 96 V HA . 15487 1 716 . 1 1 96 96 VAL HB H 1 1.875 0.000 . . . . . . 96 V HB . 15487 1 717 . 1 1 96 96 VAL HG11 H 1 0.819 0.005 . . . . . . 96 V QG1 . 15487 1 718 . 1 1 96 96 VAL HG12 H 1 0.819 0.005 . . . . . . 96 V QG1 . 15487 1 719 . 1 1 96 96 VAL HG13 H 1 0.819 0.005 . . . . . . 96 V QG1 . 15487 1 720 . 1 1 96 96 VAL HG21 H 1 0.660 0.010 . . . . . . 96 V QG2 . 15487 1 721 . 1 1 96 96 VAL HG22 H 1 0.660 0.010 . . . . . . 96 V QG2 . 15487 1 722 . 1 1 96 96 VAL HG23 H 1 0.660 0.010 . . . . . . 96 V QG2 . 15487 1 723 . 1 1 96 96 VAL CA C 13 59.506 0.000 . . . . . . 96 V CA . 15487 1 724 . 1 1 96 96 VAL CB C 13 28.658 0.000 . . . . . . 96 V CB . 15487 1 725 . 1 1 96 96 VAL CG1 C 13 18.915 0.000 . . . . . . 96 V CG1 . 15487 1 726 . 1 1 96 96 VAL CG2 C 13 18.509 0.000 . . . . . . 96 V CG2 . 15487 1 727 . 1 1 96 96 VAL N N 15 125.186 0.016 . . . . . . 96 V N . 15487 1 728 . 1 1 97 97 ILE H H 1 8.710 0.004 . . . . . . 97 I HN . 15487 1 729 . 1 1 97 97 ILE HB H 1 2.000 0.006 . . . . . . 97 I HB . 15487 1 730 . 1 1 97 97 ILE HD11 H 1 0.661 0.002 . . . . . . 97 I QD1 . 15487 1 731 . 1 1 97 97 ILE HD12 H 1 0.661 0.002 . . . . . . 97 I QD1 . 15487 1 732 . 1 1 97 97 ILE HD13 H 1 0.661 0.002 . . . . . . 97 I QD1 . 15487 1 733 . 1 1 97 97 ILE HG12 H 1 1.345 0.002 . . . . . . 97 I HG12 . 15487 1 734 . 1 1 97 97 ILE HG13 H 1 1.558 0.001 . . . . . . 97 I HG13 . 15487 1 735 . 1 1 97 97 ILE HG21 H 1 0.988 0.010 . . . . . . 97 I QG2 . 15487 1 736 . 1 1 97 97 ILE HG22 H 1 0.988 0.010 . . . . . . 97 I QG2 . 15487 1 737 . 1 1 97 97 ILE HG23 H 1 0.988 0.010 . . . . . . 97 I QG2 . 15487 1 738 . 1 1 97 97 ILE CB C 13 37.107 0.000 . . . . . . 97 I CB . 15487 1 739 . 1 1 97 97 ILE CD1 C 13 11.687 0.000 . . . . . . 97 I CD1 . 15487 1 740 . 1 1 97 97 ILE CG1 C 13 24.169 0.005 . . . . . . 97 I CG1 . 15487 1 741 . 1 1 97 97 ILE CG2 C 13 15.850 0.000 . . . . . . 97 I CG2 . 15487 1 742 . 1 1 97 97 ILE N N 15 127.642 0.016 . . . . . . 97 I N . 15487 1 743 . 1 1 98 98 THR H H 1 7.827 0.005 . . . . . . 98 T HN . 15487 1 744 . 1 1 98 98 THR HA H 1 4.957 0.000 . . . . . . 98 T HA . 15487 1 745 . 1 1 98 98 THR HB H 1 4.152 0.005 . . . . . . 98 T HB . 15487 1 746 . 1 1 98 98 THR HG21 H 1 1.143 0.005 . . . . . . 98 T QG2 . 15487 1 747 . 1 1 98 98 THR HG22 H 1 1.143 0.005 . . . . . . 98 T QG2 . 15487 1 748 . 1 1 98 98 THR HG23 H 1 1.143 0.005 . . . . . . 98 T QG2 . 15487 1 749 . 1 1 98 98 THR CA C 13 57.563 0.014 . . . . . . 98 T CA . 15487 1 750 . 1 1 98 98 THR CB C 13 69.094 0.000 . . . . . . 98 T CB . 15487 1 751 . 1 1 98 98 THR CG2 C 13 19.211 0.000 . . . . . . 98 T CG2 . 15487 1 752 . 1 1 98 98 THR N N 15 112.609 0.017 . . . . . . 98 T N . 15487 1 753 . 1 1 99 99 VAL H H 1 8.218 0.004 . . . . . . 99 V HN . 15487 1 754 . 1 1 99 99 VAL HA H 1 5.539 0.005 . . . . . . 99 V HA . 15487 1 755 . 1 1 99 99 VAL HB H 1 1.917 0.008 . . . . . . 99 V HB . 15487 1 756 . 1 1 99 99 VAL HG11 H 1 0.788 0.005 . . . . . . 99 V QG1 . 15487 1 757 . 1 1 99 99 VAL HG12 H 1 0.788 0.005 . . . . . . 99 V QG1 . 15487 1 758 . 1 1 99 99 VAL HG13 H 1 0.788 0.005 . . . . . . 99 V QG1 . 15487 1 759 . 1 1 99 99 VAL HG21 H 1 0.712 0.009 . . . . . . 99 V QG2 . 15487 1 760 . 1 1 99 99 VAL HG22 H 1 0.712 0.009 . . . . . . 99 V QG2 . 15487 1 761 . 1 1 99 99 VAL HG23 H 1 0.712 0.009 . . . . . . 99 V QG2 . 15487 1 762 . 1 1 99 99 VAL CA C 13 55.898 0.000 . . . . . . 99 V CA . 15487 1 763 . 1 1 99 99 VAL CB C 13 33.169 0.000 . . . . . . 99 V CB . 15487 1 764 . 1 1 99 99 VAL CG1 C 13 21.112 0.000 . . . . . . 99 V CG1 . 15487 1 765 . 1 1 99 99 VAL CG2 C 13 17.341 0.000 . . . . . . 99 V CG2 . 15487 1 766 . 1 1 99 99 VAL N N 15 113.202 0.004 . . . . . . 99 V N . 15487 1 767 . 1 1 100 100 GLU H H 1 8.359 0.008 . . . . . . 100 E HN . 15487 1 768 . 1 1 100 100 GLU HA H 1 4.560 0.011 . . . . . . 100 E HA . 15487 1 769 . 1 1 100 100 GLU HB2 H 1 1.837 0.003 . . . . . . 100 E HB2 . 15487 1 770 . 1 1 100 100 GLU HB3 H 1 1.998 0.001 . . . . . . 100 E HB3 . 15487 1 771 . 1 1 100 100 GLU HG2 H 1 2.160 0.005 . . . . . . 100 E QG . 15487 1 772 . 1 1 100 100 GLU HG3 H 1 2.160 0.005 . . . . . . 100 E QG . 15487 1 773 . 1 1 100 100 GLU CA C 13 51.931 0.000 . . . . . . 100 E CA . 15487 1 774 . 1 1 100 100 GLU CB C 13 31.365 0.004 . . . . . . 100 E CB . 15487 1 775 . 1 1 100 100 GLU CG C 13 33.254 0.000 . . . . . . 100 E CG . 15487 1 776 . 1 1 100 100 GLU N N 15 118.204 0.011 . . . . . . 100 E N . 15487 1 777 . 1 1 101 101 ARG H H 1 9.047 0.013 . . . . . . 101 R HN . 15487 1 778 . 1 1 101 101 ARG HA H 1 4.250 0.003 . . . . . . 101 R HA . 15487 1 779 . 1 1 101 101 ARG HB2 H 1 1.742 0.003 . . . . . . 101 R HB2 . 15487 1 780 . 1 1 101 101 ARG HB3 H 1 1.881 0.002 . . . . . . 101 R HB3 . 15487 1 781 . 1 1 101 101 ARG HD2 H 1 3.084 0.001 . . . . . . 101 R HD2 . 15487 1 782 . 1 1 101 101 ARG HD3 H 1 3.188 0.009 . . . . . . 101 R HD3 . 15487 1 783 . 1 1 101 101 ARG HG2 H 1 1.636 0.005 . . . . . . 101 R QG . 15487 1 784 . 1 1 101 101 ARG HG3 H 1 1.636 0.005 . . . . . . 101 R QG . 15487 1 785 . 1 1 101 101 ARG CA C 13 55.410 0.000 . . . . . . 101 R CA . 15487 1 786 . 1 1 101 101 ARG CB C 13 28.859 0.000 . . . . . . 101 R CB . 15487 1 787 . 1 1 101 101 ARG CD C 13 40.916 0.000 . . . . . . 101 R CD . 15487 1 788 . 1 1 101 101 ARG CG C 13 24.577 0.000 . . . . . . 101 R CG . 15487 1 789 . 1 1 101 101 ARG N N 15 123.502 0.008 . . . . . . 101 R N . 15487 1 790 . 1 1 102 102 ASP H H 1 8.460 0.001 . . . . . . 102 D HN . 15487 1 791 . 1 1 102 102 ASP HA H 1 4.784 0.003 . . . . . . 102 D HA . 15487 1 792 . 1 1 102 102 ASP HB2 H 1 2.393 0.005 . . . . . . 102 D HB2 . 15487 1 793 . 1 1 102 102 ASP HB3 H 1 2.475 0.003 . . . . . . 102 D HB3 . 15487 1 794 . 1 1 102 102 ASP CA C 13 50.517 0.045 . . . . . . 102 D CA . 15487 1 795 . 1 1 102 102 ASP CB C 13 38.888 0.000 . . . . . . 102 D CB . 15487 1 796 . 1 1 102 102 ASP N N 15 125.507 0.016 . . . . . . 102 D N . 15487 1 797 . 1 1 103 103 ASP H H 1 8.563 0.006 . . . . . . 103 D HN . 15487 1 798 . 1 1 103 103 ASP HA H 1 4.800 0.001 . . . . . . 103 D HA . 15487 1 799 . 1 1 103 103 ASP HB2 H 1 2.473 0.002 . . . . . . 103 D HB2 . 15487 1 800 . 1 1 103 103 ASP HB3 H 1 2.741 0.001 . . . . . . 103 D HB3 . 15487 1 801 . 1 1 103 103 ASP CA C 13 52.580 0.000 . . . . . . 103 D CA . 15487 1 802 . 1 1 103 103 ASP CB C 13 39.226 0.000 . . . . . . 103 D CB . 15487 1 803 . 1 1 103 103 ASP N N 15 123.795 0.010 . . . . . . 103 D N . 15487 1 804 . 1 1 104 104 ASN H H 1 8.440 0.003 . . . . . . 104 N HN . 15487 1 805 . 1 1 104 104 ASN HA H 1 4.919 0.001 . . . . . . 104 N HA . 15487 1 806 . 1 1 104 104 ASN HB2 H 1 2.522 0.003 . . . . . . 104 N HB2 . 15487 1 807 . 1 1 104 104 ASN HB3 H 1 2.660 0.004 . . . . . . 104 N HB3 . 15487 1 808 . 1 1 104 104 ASN HD21 H 1 6.780 0.001 . . . . . . 104 N HD21 . 15487 1 809 . 1 1 104 104 ASN HD22 H 1 7.599 0.005 . . . . . . 104 N HD22 . 15487 1 810 . 1 1 104 104 ASN CA C 13 48.939 0.000 . . . . . . 104 N CA . 15487 1 811 . 1 1 104 104 ASN CB C 13 36.650 0.023 . . . . . . 104 N CB . 15487 1 812 . 1 1 104 104 ASN N N 15 118.510 0.017 . . . . . . 104 N N . 15487 1 813 . 1 1 104 104 ASN ND2 N 15 113.493 0.015 . . . . . . 104 N ND2 . 15487 1 stop_ save_